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
404287 1wyp 11124 cing 4-filtered-FRED Wattos check violation distance


data_1wyp


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              2548
    _Distance_constraint_stats_list.Viol_count                    311
    _Distance_constraint_stats_list.Viol_total                    63.461
    _Distance_constraint_stats_list.Viol_max                      0.157
    _Distance_constraint_stats_list.Viol_rms                      0.0017
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0001
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0102
    _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   9 LYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  10 LEU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  11 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  12 GLN 0.020 0.012  1 0 "[    .    1    .    2]" 
       1  13 LYS 0.083 0.051  5 0 "[    .    1    .    2]" 
       1  14 TYR 0.109 0.051  5 0 "[    .    1    .    2]" 
       1  15 ASP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  16 HIS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  17 GLN 0.003 0.003 16 0 "[    .    1    .    2]" 
       1  18 ARG 0.004 0.003 16 0 "[    .    1    .    2]" 
       1  19 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  20 GLN 0.122 0.107 13 0 "[    .    1    .    2]" 
       1  21 GLU 0.025 0.012 16 0 "[    .    1    .    2]" 
       1  22 LEU 0.032 0.016 18 0 "[    .    1    .    2]" 
       1  23 ARG 0.111 0.039 18 0 "[    .    1    .    2]" 
       1  24 GLU 0.131 0.043 18 0 "[    .    1    .    2]" 
       1  25 TRP 0.100 0.043 18 0 "[    .    1    .    2]" 
       1  26 ILE 0.010 0.006 11 0 "[    .    1    .    2]" 
       1  27 GLU 0.348 0.157 19 0 "[    .    1    .    2]" 
       1  28 GLY 0.010 0.010 11 0 "[    .    1    .    2]" 
       1  29 VAL 0.006 0.003 11 0 "[    .    1    .    2]" 
       1  30 THR 0.005 0.005  7 0 "[    .    1    .    2]" 
       1  31 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  32 ARG 0.008 0.005  7 0 "[    .    1    .    2]" 
       1  33 ARG 0.016 0.012  5 0 "[    .    1    .    2]" 
       1  34 ILE 0.015 0.012  5 0 "[    .    1    .    2]" 
       1  35 GLY 0.001 0.001  6 0 "[    .    1    .    2]" 
       1  36 ASN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  37 ASN 0.005 0.005  6 0 "[    .    1    .    2]" 
       1  38 PHE 0.004 0.003 11 0 "[    .    1    .    2]" 
       1  39 MET 0.022 0.021 16 0 "[    .    1    .    2]" 
       1  40 ASP 0.037 0.022  7 0 "[    .    1    .    2]" 
       1  41 GLY 0.001 0.001  6 0 "[    .    1    .    2]" 
       1  42 LEU 0.010 0.004  6 0 "[    .    1    .    2]" 
       1  43 LYS 0.000 0.000  3 0 "[    .    1    .    2]" 
       1  44 ASP 0.010 0.006 14 0 "[    .    1    .    2]" 
       1  45 GLY 0.016 0.011 12 0 "[    .    1    .    2]" 
       1  46 ILE 0.113 0.038 14 0 "[    .    1    .    2]" 
       1  47 ILE 0.083 0.038 14 0 "[    .    1    .    2]" 
       1  48 LEU 0.001 0.001 17 0 "[    .    1    .    2]" 
       1  49 CYS 0.032 0.016 14 0 "[    .    1    .    2]" 
       1  50 GLU 0.046 0.023 12 0 "[    .    1    .    2]" 
       1  51 PHE 0.004 0.002 12 0 "[    .    1    .    2]" 
       1  52 ILE 0.019 0.005 17 0 "[    .    1    .    2]" 
       1  53 ASN 0.003 0.002 12 0 "[    .    1    .    2]" 
       1  54 LYS 0.015 0.004  4 0 "[    .    1    .    2]" 
       1  55 LEU 0.014 0.006 13 0 "[    .    1    .    2]" 
       1  56 GLN 0.098 0.029 15 0 "[    .    1    .    2]" 
       1  57 PRO 0.069 0.029 15 0 "[    .    1    .    2]" 
       1  58 GLY 0.007 0.005  3 0 "[    .    1    .    2]" 
       1  59 SER 0.025 0.006 14 0 "[    .    1    .    2]" 
       1  60 VAL 0.010 0.005  3 0 "[    .    1    .    2]" 
       1  61 LYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  62 LYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  63 ILE 0.024 0.007 14 0 "[    .    1    .    2]" 
       1  64 ASN 0.012 0.007 14 0 "[    .    1    .    2]" 
       1  65 GLU 0.000 0.000  6 0 "[    .    1    .    2]" 
       1  66 SER 0.034 0.032 14 0 "[    .    1    .    2]" 
       1  67 THR 0.021 0.020 20 0 "[    .    1    .    2]" 
       1  68 GLN 0.033 0.020 20 0 "[    .    1    .    2]" 
       1  69 ASN 0.030 0.016 14 0 "[    .    1    .    2]" 
       1  70 TRP 0.026 0.016 14 0 "[    .    1    .    2]" 
       1  71 HIS 0.052 0.032 14 0 "[    .    1    .    2]" 
       1  72 GLN 0.020 0.015 14 0 "[    .    1    .    2]" 
       1  73 LEU 0.056 0.016 14 0 "[    .    1    .    2]" 
       1  74 GLU 0.001 0.001 11 0 "[    .    1    .    2]" 
       1  75 ASN 0.003 0.003 14 0 "[    .    1    .    2]" 
       1  76 ILE 0.010 0.010 14 0 "[    .    1    .    2]" 
       1  77 GLY 0.000 0.000 15 0 "[    .    1    .    2]" 
       1  78 ASN 0.058 0.032 18 0 "[    .    1    .    2]" 
       1  79 PHE 0.549 0.045 16 0 "[    .    1    .    2]" 
       1  80 ILE 0.513 0.045 16 0 "[    .    1    .    2]" 
       1  81 LYS 0.112 0.022 17 0 "[    .    1    .    2]" 
       1  82 ALA 0.094 0.022 17 0 "[    .    1    .    2]" 
       1  83 ILE 0.004 0.001  1 0 "[    .    1    .    2]" 
       1  84 THR 0.006 0.005 14 0 "[    .    1    .    2]" 
       1  85 LYS 0.207 0.035  5 0 "[    .    1    .    2]" 
       1  86 TYR 0.002 0.001  1 0 "[    .    1    .    2]" 
       1  87 GLY 0.008 0.003  5 0 "[    .    1    .    2]" 
       1  88 VAL 0.008 0.005 14 0 "[    .    1    .    2]" 
       1  89 LYS 0.154 0.078 16 0 "[    .    1    .    2]" 
       1  90 PRO 0.161 0.078 16 0 "[    .    1    .    2]" 
       1  91 HIS 0.012 0.006 18 0 "[    .    1    .    2]" 
       1  92 ASP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  93 ILE 0.011 0.005 17 0 "[    .    1    .    2]" 
       1  94 PHE 0.011 0.004 14 0 "[    .    1    .    2]" 
       1  95 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  96 ALA 0.005 0.004 14 0 "[    .    1    .    2]" 
       1  97 ASN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  98 ASP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  99 LEU 0.002 0.002 14 0 "[    .    1    .    2]" 
       1 100 PHE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 101 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 102 ASN 0.001 0.001  5 0 "[    .    1    .    2]" 
       1 103 THR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 104 ASN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 105 HIS 0.027 0.012  2 0 "[    .    1    .    2]" 
       1 106 THR 0.034 0.017  2 0 "[    .    1    .    2]" 
       1 107 GLN 0.006 0.006  2 0 "[    .    1    .    2]" 
       1 108 VAL 0.005 0.005  2 0 "[    .    1    .    2]" 
       1 109 GLN 0.050 0.014  2 0 "[    .    1    .    2]" 
       1 110 SER 0.000 0.000  3 0 "[    .    1    .    2]" 
       1 111 THR 0.021 0.006  2 0 "[    .    1    .    2]" 
       1 112 LEU 0.007 0.002  7 0 "[    .    1    .    2]" 
       1 113 LEU 0.004 0.004  2 0 "[    .    1    .    2]" 
       1 114 ALA 0.002 0.002 15 0 "[    .    1    .    2]" 
       1 115 LEU 0.005 0.003 15 0 "[    .    1    .    2]" 
       1 116 ALA 0.008 0.003 17 0 "[    .    1    .    2]" 
       1 117 SER 0.034 0.017  6 0 "[    .    1    .    2]" 
       1 118 MET 0.011 0.004 15 0 "[    .    1    .    2]" 
       1 119 ALA 0.008 0.003 17 0 "[    .    1    .    2]" 
       1 120 LYS 0.039 0.017  6 0 "[    .    1    .    2]" 
       1 121 THR 0.004 0.002 15 0 "[    .    1    .    2]" 
       1 122 LYS 0.019 0.010 16 0 "[    .    1    .    2]" 
       1 123 GLY 0.001 0.001 14 0 "[    .    1    .    2]" 
       1 124 ASN 0.000 0.000 17 0 "[    .    1    .    2]" 
       1 125 LYS 0.063 0.022  9 0 "[    .    1    .    2]" 
       1 126 VAL 0.072 0.022  9 0 "[    .    1    .    2]" 
       1 127 ASN 0.013 0.013 17 0 "[    .    1    .    2]" 
       1 128 VAL 0.179 0.075 17 0 "[    .    1    .    2]" 
       1 129 GLY 0.137 0.075 17 0 "[    .    1    .    2]" 
       1 130 VAL 0.277 0.092  8 0 "[    .    1    .    2]" 
       1 131 SER 0.184 0.092  8 0 "[    .    1    .    2]" 
       1 132 GLY 0.067 0.060 11 0 "[    .    1    .    2]" 
       1 133 PRO 0.067 0.060 11 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   9 LYS HA   1   9 LYS QD   . . 4.610 3.467 2.026 4.392     .  0 0 "[    .    1    .    2]" 1 
          2 1   9 LYS HA   1   9 LYS QG   . . 3.650 2.758 2.220 3.445     .  0 0 "[    .    1    .    2]" 1 
          3 1   9 LYS HA   1  10 LEU H    . . 3.050 2.345 2.146 2.818     .  0 0 "[    .    1    .    2]" 1 
          4 1   9 LYS QB   1  10 LEU H    . . 4.320 3.161 2.328 4.047     .  0 0 "[    .    1    .    2]" 1 
          5 1   9 LYS QE   1   9 LYS HG2  . . 3.790 2.634 2.137 3.502     .  0 0 "[    .    1    .    2]" 1 
          6 1   9 LYS QE   1   9 LYS QG   . . 3.160 2.226 2.052 2.625     .  0 0 "[    .    1    .    2]" 1 
          7 1   9 LYS QE   1   9 LYS HG3  . . 3.790 2.724 2.112 3.474     .  0 0 "[    .    1    .    2]" 1 
          8 1  10 LEU H    1  10 LEU HG   . . 3.160 2.796 2.440 3.154     .  0 0 "[    .    1    .    2]" 1 
          9 1  10 LEU HA   1  10 LEU MD1  . . 4.390 3.844 3.292 4.110     .  0 0 "[    .    1    .    2]" 1 
         10 1  10 LEU HA   1  10 LEU QD   . . 3.470 2.755 2.020 3.369     .  0 0 "[    .    1    .    2]" 1 
         11 1  10 LEU HA   1  10 LEU MD2  . . 4.390 2.953 2.027 4.105     .  0 0 "[    .    1    .    2]" 1 
         12 1  10 LEU HA   1  11 ALA H    . . 3.050 2.331 2.140 2.803     .  0 0 "[    .    1    .    2]" 1 
         13 1  10 LEU QB   1  11 ALA H    . . 4.040 3.264 2.401 4.036     .  0 0 "[    .    1    .    2]" 1 
         14 1  11 ALA H    1  11 ALA MB   . . 3.210 2.492 2.070 2.874     .  0 0 "[    .    1    .    2]" 1 
         15 1  11 ALA HA   1  12 GLN H    . . 3.030 2.359 2.141 2.769     .  0 0 "[    .    1    .    2]" 1 
         16 1  11 ALA MB   1  12 GLN H    . . 3.920 3.044 2.186 3.708     .  0 0 "[    .    1    .    2]" 1 
         17 1  12 GLN H    1  12 GLN QB   . . 3.300 2.541 2.159 3.301 0.001 17 0 "[    .    1    .    2]" 1 
         18 1  12 GLN H    1  12 GLN QG   . . 3.920 2.973 2.050 3.920     .  0 0 "[    .    1    .    2]" 1 
         19 1  12 GLN HA   1  12 GLN QG   . . 3.920 2.674 2.192 3.339     .  0 0 "[    .    1    .    2]" 1 
         20 1  12 GLN HA   1  13 LYS H    . . 3.420 3.134 2.141 3.432 0.012  1 0 "[    .    1    .    2]" 1 
         21 1  12 GLN QB   1  13 LYS H    . . 4.120 3.064 2.051 3.884     .  0 0 "[    .    1    .    2]" 1 
         22 1  12 GLN QG   1  13 LYS H    . . 4.550 3.793 2.454 4.555 0.005  1 0 "[    .    1    .    2]" 1 
         23 1  13 LYS H    1  13 LYS QB   . . 3.590 2.449 2.118 3.178     .  0 0 "[    .    1    .    2]" 1 
         24 1  13 LYS H    1  13 LYS QD   . . 4.270 3.672 2.074 4.275 0.005 19 0 "[    .    1    .    2]" 1 
         25 1  13 LYS H    1  13 LYS QG   . . 3.800 2.856 1.906 3.809 0.009 17 0 "[    .    1    .    2]" 1 
         26 1  13 LYS H    1  14 TYR H    . . 4.760 3.061 2.119 4.635     .  0 0 "[    .    1    .    2]" 1 
         27 1  13 LYS H    1 106 THR MG   . . 5.070 4.796 3.114 5.069     .  0 0 "[    .    1    .    2]" 1 
         28 1  13 LYS HA   1  13 LYS QD   . . 4.450 3.313 2.141 4.264     .  0 0 "[    .    1    .    2]" 1 
         29 1  13 LYS HA   1  13 LYS QG   . . 3.820 2.589 2.146 3.409     .  0 0 "[    .    1    .    2]" 1 
         30 1  13 LYS HA   1 106 THR MG   . . 4.170 3.572 2.656 4.152     .  0 0 "[    .    1    .    2]" 1 
         31 1  13 LYS QB   1  14 TYR H    . . 3.850 2.759 1.951 3.901 0.051  5 0 "[    .    1    .    2]" 1 
         32 1  13 LYS HB2  1  14 TYR H    . . 4.500 3.154 1.990 4.427     .  0 0 "[    .    1    .    2]" 1 
         33 1  13 LYS HB3  1  14 TYR H    . . 4.500 3.424 2.169 4.355     .  0 0 "[    .    1    .    2]" 1 
         34 1  14 TYR H    1  14 TYR HB2  . . 3.640 2.836 2.174 3.549     .  0 0 "[    .    1    .    2]" 1 
         35 1  14 TYR H    1  14 TYR HB3  . . 3.640 2.981 2.703 3.274     .  0 0 "[    .    1    .    2]" 1 
         36 1  14 TYR H    1  14 TYR QD   . . 4.630 4.252 2.818 4.546     .  0 0 "[    .    1    .    2]" 1 
         37 1  14 TYR H    1 106 THR MG   . . 4.480 3.456 2.038 4.293     .  0 0 "[    .    1    .    2]" 1 
         38 1  14 TYR HA   1  14 TYR QD   . . 3.770 2.932 2.562 3.677     .  0 0 "[    .    1    .    2]" 1 
         39 1  14 TYR HA   1  15 ASP H    . . 3.240 2.246 2.137 2.617     .  0 0 "[    .    1    .    2]" 1 
         40 1  14 TYR HA   1  15 ASP QB   . . 5.340 4.274 3.856 4.786     .  0 0 "[    .    1    .    2]" 1 
         41 1  14 TYR HA   1 106 THR MG   . . 4.020 3.218 2.143 3.959     .  0 0 "[    .    1    .    2]" 1 
         42 1  14 TYR HA   1 109 GLN HB3  . . 5.500 4.624 3.889 5.514 0.014  2 0 "[    .    1    .    2]" 1 
         43 1  14 TYR HB2  1 106 THR MG   . . 4.190 2.333 1.976 4.194 0.004  2 0 "[    .    1    .    2]" 1 
         44 1  14 TYR HB3  1 106 THR MG   . . 4.190 3.640 2.728 4.012     .  0 0 "[    .    1    .    2]" 1 
         45 1  14 TYR QD   1  39 MET ME   . . 4.930 4.676 4.313 4.920     .  0 0 "[    .    1    .    2]" 1 
         46 1  14 TYR QD   1 105 HIS QB   . . 4.360 3.576 2.857 4.369 0.009  2 0 "[    .    1    .    2]" 1 
         47 1  14 TYR QD   1 106 THR HA   . . 4.060 2.086 1.981 2.274     .  0 0 "[    .    1    .    2]" 1 
         48 1  14 TYR QD   1 106 THR HB   . . 3.630 3.589 3.426 3.647 0.017  2 0 "[    .    1    .    2]" 1 
         49 1  14 TYR QD   1 106 THR MG   . . 4.080 2.031 1.812 2.342     .  0 0 "[    .    1    .    2]" 1 
         50 1  14 TYR QD   1 109 GLN HB2  . . 4.450 3.334 2.264 3.601     .  0 0 "[    .    1    .    2]" 1 
         51 1  14 TYR QD   1 109 GLN HB3  . . 4.480 3.777 2.291 4.305     .  0 0 "[    .    1    .    2]" 1 
         52 1  14 TYR QE   1  16 HIS HA   . . 4.140 3.949 3.560 4.139     .  0 0 "[    .    1    .    2]" 1 
         53 1  14 TYR QE   1  19 GLU HB2  . . 4.240 2.777 2.233 3.990     .  0 0 "[    .    1    .    2]" 1 
         54 1  14 TYR QE   1  39 MET ME   . . 3.150 2.905 2.532 3.149     .  0 0 "[    .    1    .    2]" 1 
         55 1  14 TYR QE   1 105 HIS QB   . . 4.110 2.874 2.185 3.602     .  0 0 "[    .    1    .    2]" 1 
         56 1  14 TYR QE   1 106 THR HB   . . 5.360 5.236 5.088 5.355     .  0 0 "[    .    1    .    2]" 1 
         57 1  14 TYR QE   1 109 GLN H    . . 3.990 3.730 3.398 3.979     .  0 0 "[    .    1    .    2]" 1 
         58 1  14 TYR QE   1 109 GLN HA   . . 4.660 4.431 4.202 4.671 0.011  2 0 "[    .    1    .    2]" 1 
         59 1  14 TYR QE   1 109 GLN HB2  . . 4.230 2.211 2.001 2.445     .  0 0 "[    .    1    .    2]" 1 
         60 1  14 TYR QE   1 109 GLN HB3  . . 4.150 3.654 3.323 3.998     .  0 0 "[    .    1    .    2]" 1 
         61 1  14 TYR QE   1 109 GLN QG   . . 4.440 3.086 2.359 3.850     .  0 0 "[    .    1    .    2]" 1 
         62 1  15 ASP H    1  15 ASP HB2  . . 3.960 2.609 2.329 3.049     .  0 0 "[    .    1    .    2]" 1 
         63 1  15 ASP H    1  15 ASP HB3  . . 3.960 3.445 2.657 3.799     .  0 0 "[    .    1    .    2]" 1 
         64 1  15 ASP H    1 109 GLN HE21 . . 4.430 3.821 2.994 4.423     .  0 0 "[    .    1    .    2]" 1 
         65 1  15 ASP H    1 109 GLN QE   . . 3.770 2.641 1.974 3.609     .  0 0 "[    .    1    .    2]" 1 
         66 1  15 ASP H    1 109 GLN HE22 . . 4.430 2.886 1.982 4.428     .  0 0 "[    .    1    .    2]" 1 
         67 1  15 ASP QB   1  18 ARG H    . . 3.590 2.594 2.222 2.876     .  0 0 "[    .    1    .    2]" 1 
         68 1  15 ASP QB   1  18 ARG HB2  . . 3.930 2.451 2.162 2.889     .  0 0 "[    .    1    .    2]" 1 
         69 1  15 ASP QB   1  18 ARG HB3  . . 4.350 3.895 3.528 4.314     .  0 0 "[    .    1    .    2]" 1 
         70 1  15 ASP QB   1  18 ARG HG2  . . 4.390 2.646 2.026 3.340     .  0 0 "[    .    1    .    2]" 1 
         71 1  15 ASP QB   1  19 GLU H    . . 4.410 3.685 3.363 3.943     .  0 0 "[    .    1    .    2]" 1 
         72 1  15 ASP QB   1 109 GLN QE   . . 4.400 3.009 2.012 4.094     .  0 0 "[    .    1    .    2]" 1 
         73 1  15 ASP HB2  1  18 ARG H    . . 4.150 3.473 2.769 4.117     .  0 0 "[    .    1    .    2]" 1 
         74 1  15 ASP HB2  1  18 ARG HB2  . . 4.500 2.920 2.193 4.024     .  0 0 "[    .    1    .    2]" 1 
         75 1  15 ASP HB2  1  18 ARG HG3  . . 4.550 2.952 2.346 3.556     .  0 0 "[    .    1    .    2]" 1 
         76 1  15 ASP HB3  1  18 ARG H    . . 4.150 2.779 2.234 3.259     .  0 0 "[    .    1    .    2]" 1 
         77 1  15 ASP HB3  1  18 ARG HB2  . . 4.500 3.253 2.178 4.377     .  0 0 "[    .    1    .    2]" 1 
         78 1  15 ASP HB3  1  18 ARG HG3  . . 4.550 3.374 2.085 4.385     .  0 0 "[    .    1    .    2]" 1 
         79 1  16 HIS HA   1  19 GLU H    . . 3.830 3.681 3.473 3.822     .  0 0 "[    .    1    .    2]" 1 
         80 1  16 HIS HA   1  19 GLU HB2  . . 3.890 3.323 2.803 3.694     .  0 0 "[    .    1    .    2]" 1 
         81 1  16 HIS HA   1  19 GLU HB3  . . 3.710 3.061 2.472 3.633     .  0 0 "[    .    1    .    2]" 1 
         82 1  16 HIS HA   1  19 GLU QG   . . 5.340 4.480 3.835 5.172     .  0 0 "[    .    1    .    2]" 1 
         83 1  16 HIS HB2  1  17 GLN H    . . 4.200 3.126 2.466 4.140     .  0 0 "[    .    1    .    2]" 1 
         84 1  16 HIS HB3  1  17 GLN H    . . 4.200 3.475 2.742 4.096     .  0 0 "[    .    1    .    2]" 1 
         85 1  17 GLN H    1  17 GLN HB2  . . 3.740 2.389 2.176 2.690     .  0 0 "[    .    1    .    2]" 1 
         86 1  17 GLN H    1  17 GLN HB3  . . 3.040 2.690 2.387 2.946     .  0 0 "[    .    1    .    2]" 1 
         87 1  17 GLN H    1  17 GLN QG   . . 4.030 3.920 3.771 4.019     .  0 0 "[    .    1    .    2]" 1 
         88 1  17 GLN H    1  18 ARG HB2  . . 5.210 4.895 4.681 5.055     .  0 0 "[    .    1    .    2]" 1 
         89 1  17 GLN H    1  18 ARG HG2  . . 4.850 4.457 4.140 4.772     .  0 0 "[    .    1    .    2]" 1 
         90 1  17 GLN H    1  19 GLU H    . . 4.260 4.077 3.884 4.225     .  0 0 "[    .    1    .    2]" 1 
         91 1  17 GLN HA   1  17 GLN QG   . . 3.350 2.444 2.156 3.165     .  0 0 "[    .    1    .    2]" 1 
         92 1  17 GLN HA   1  20 GLN H    . . 4.060 3.573 3.251 3.943     .  0 0 "[    .    1    .    2]" 1 
         93 1  17 GLN HA   1  20 GLN QB   . . 4.110 3.108 2.709 3.723     .  0 0 "[    .    1    .    2]" 1 
         94 1  17 GLN HA   1  20 GLN QG   . . 4.340 4.175 3.020 4.343 0.003 16 0 "[    .    1    .    2]" 1 
         95 1  17 GLN HB2  1  18 ARG H    . . 4.190 3.567 3.342 3.820     .  0 0 "[    .    1    .    2]" 1 
         96 1  17 GLN HB3  1  18 ARG H    . . 3.380 2.271 2.091 2.564     .  0 0 "[    .    1    .    2]" 1 
         97 1  17 GLN HB3  1  18 ARG HA   . . 4.770 4.036 3.816 4.396     .  0 0 "[    .    1    .    2]" 1 
         98 1  17 GLN QE   1  18 ARG QD   . . 4.650 3.681 2.228 4.639     .  0 0 "[    .    1    .    2]" 1 
         99 1  17 GLN QE   1  18 ARG HE   . . 4.700 3.125 2.189 4.579     .  0 0 "[    .    1    .    2]" 1 
        100 1  17 GLN QE   1  21 GLU QG   . . 3.720 2.781 1.833 3.639     .  0 0 "[    .    1    .    2]" 1 
        101 1  17 GLN QG   1  18 ARG H    . . 4.560 3.793 2.866 4.352     .  0 0 "[    .    1    .    2]" 1 
        102 1  18 ARG H    1  18 ARG HB2  . . 3.410 2.579 2.465 2.654     .  0 0 "[    .    1    .    2]" 1 
        103 1  18 ARG H    1  18 ARG HB3  . . 3.630 3.592 3.586 3.600     .  0 0 "[    .    1    .    2]" 1 
        104 1  18 ARG H    1  18 ARG HD2  . . 4.940 4.632 3.647 4.863     .  0 0 "[    .    1    .    2]" 1 
        105 1  18 ARG H    1  18 ARG QD   . . 4.190 3.659 3.365 4.116     .  0 0 "[    .    1    .    2]" 1 
        106 1  18 ARG H    1  18 ARG HD3  . . 4.940 3.853 3.494 4.538     .  0 0 "[    .    1    .    2]" 1 
        107 1  18 ARG H    1  18 ARG HG2  . . 3.350 2.037 1.900 2.240     .  0 0 "[    .    1    .    2]" 1 
        108 1  18 ARG H    1  18 ARG HG3  . . 3.560 3.405 3.199 3.530     .  0 0 "[    .    1    .    2]" 1 
        109 1  18 ARG H    1  19 GLU H    . . 3.380 2.816 2.601 2.923     .  0 0 "[    .    1    .    2]" 1 
        110 1  18 ARG H    1  20 GLN H    . . 4.830 4.313 4.028 4.794     .  0 0 "[    .    1    .    2]" 1 
        111 1  18 ARG H    1 109 GLN QE   . . 5.020 4.337 3.586 4.982     .  0 0 "[    .    1    .    2]" 1 
        112 1  18 ARG H    1 113 LEU MD2  . . 5.090 4.977 4.819 5.087     .  0 0 "[    .    1    .    2]" 1 
        113 1  18 ARG HA   1  18 ARG HD2  . . 4.270 3.564 2.025 3.984     .  0 0 "[    .    1    .    2]" 1 
        114 1  18 ARG HA   1  18 ARG QD   . . 3.650 2.175 1.993 2.921     .  0 0 "[    .    1    .    2]" 1 
        115 1  18 ARG HA   1  18 ARG HD3  . . 4.270 2.267 2.003 3.476     .  0 0 "[    .    1    .    2]" 1 
        116 1  18 ARG HA   1  18 ARG HE   . . 4.520 3.732 2.326 4.321     .  0 0 "[    .    1    .    2]" 1 
        117 1  18 ARG HA   1  18 ARG HG3  . . 4.100 3.792 3.739 3.835     .  0 0 "[    .    1    .    2]" 1 
        118 1  18 ARG HA   1  21 GLU H    . . 4.320 3.371 2.941 3.680     .  0 0 "[    .    1    .    2]" 1 
        119 1  18 ARG HA   1  21 GLU HB2  . . 3.820 2.825 2.311 3.232     .  0 0 "[    .    1    .    2]" 1 
        120 1  18 ARG HA   1  21 GLU HB3  . . 5.180 4.423 3.810 4.916     .  0 0 "[    .    1    .    2]" 1 
        121 1  18 ARG HA   1  21 GLU HG2  . . 4.630 3.572 2.529 4.549     .  0 0 "[    .    1    .    2]" 1 
        122 1  18 ARG HA   1  21 GLU QG   . . 3.950 2.912 2.210 3.462     .  0 0 "[    .    1    .    2]" 1 
        123 1  18 ARG HA   1  21 GLU HG3  . . 4.630 3.270 2.294 4.007     .  0 0 "[    .    1    .    2]" 1 
        124 1  18 ARG HA   1  22 LEU H    . . 4.140 4.004 3.717 4.136     .  0 0 "[    .    1    .    2]" 1 
        125 1  18 ARG HA   1 128 VAL MG1  . . 4.140 3.896 3.481 4.140 0.000 16 0 "[    .    1    .    2]" 1 
        126 1  18 ARG HB2  1  19 GLU H    . . 3.820 2.617 2.457 2.814     .  0 0 "[    .    1    .    2]" 1 
        127 1  18 ARG HB2  1 113 LEU MD1  . . 4.270 4.101 3.890 4.269     .  0 0 "[    .    1    .    2]" 1 
        128 1  18 ARG HB3  1  18 ARG QD   . . 3.500 2.323 2.129 2.560     .  0 0 "[    .    1    .    2]" 1 
        129 1  18 ARG HB3  1  21 GLU HB2  . . 5.500 4.427 3.649 4.945     .  0 0 "[    .    1    .    2]" 1 
        130 1  18 ARG HB3  1 113 LEU MD2  . . 3.950 2.072 1.927 2.287     .  0 0 "[    .    1    .    2]" 1 
        131 1  18 ARG QD   1 113 LEU MD1  . . 4.290 3.328 2.489 4.172     .  0 0 "[    .    1    .    2]" 1 
        132 1  18 ARG QD   1 113 LEU MD2  . . 3.320 2.177 1.811 3.046     .  0 0 "[    .    1    .    2]" 1 
        133 1  18 ARG QD   1 129 GLY H    . . 4.900 3.746 3.266 4.518     .  0 0 "[    .    1    .    2]" 1 
        134 1  18 ARG HD2  1 113 LEU MD1  . . 5.070 3.435 2.518 4.678     .  0 0 "[    .    1    .    2]" 1 
        135 1  18 ARG HD2  1 113 LEU MD2  . . 3.880 2.250 1.944 3.196     .  0 0 "[    .    1    .    2]" 1 
        136 1  18 ARG HD2  1 128 VAL MG1  . . 4.210 3.632 3.102 4.061     .  0 0 "[    .    1    .    2]" 1 
        137 1  18 ARG HD3  1 113 LEU MD1  . . 5.070 4.635 3.820 4.977     .  0 0 "[    .    1    .    2]" 1 
        138 1  18 ARG HD3  1 113 LEU MD2  . . 3.880 3.085 1.889 3.835     .  0 0 "[    .    1    .    2]" 1 
        139 1  18 ARG HD3  1 128 VAL MG1  . . 4.210 3.284 2.896 4.135     .  0 0 "[    .    1    .    2]" 1 
        140 1  18 ARG HE   1 129 GLY H    . . 4.360 4.138 3.166 4.363 0.003 16 0 "[    .    1    .    2]" 1 
        141 1  18 ARG HG2  1 113 LEU MD1  . . 4.980 4.715 4.428 4.968     .  0 0 "[    .    1    .    2]" 1 
        142 1  18 ARG HG3  1 113 LEU MD1  . . 4.110 3.177 2.839 3.474     .  0 0 "[    .    1    .    2]" 1 
        143 1  19 GLU H    1  19 GLU HB2  . . 3.190 2.449 2.256 2.651     .  0 0 "[    .    1    .    2]" 1 
        144 1  19 GLU H    1  19 GLU HB3  . . 3.280 2.622 2.402 2.916     .  0 0 "[    .    1    .    2]" 1 
        145 1  19 GLU H    1  19 GLU HG2  . . 4.910 4.428 4.239 4.620     .  0 0 "[    .    1    .    2]" 1 
        146 1  19 GLU H    1  19 GLU QG   . . 4.310 3.960 3.873 4.036     .  0 0 "[    .    1    .    2]" 1 
        147 1  19 GLU H    1  19 GLU HG3  . . 4.910 4.476 4.182 4.620     .  0 0 "[    .    1    .    2]" 1 
        148 1  19 GLU H    1  20 GLN QB   . . 4.830 4.545 4.352 4.795     .  0 0 "[    .    1    .    2]" 1 
        149 1  19 GLU H    1  22 LEU H    . . 5.310 4.816 4.520 5.122     .  0 0 "[    .    1    .    2]" 1 
        150 1  19 GLU H    1 109 GLN HE21 . . 4.150 3.298 2.700 3.749     .  0 0 "[    .    1    .    2]" 1 
        151 1  19 GLU H    1 109 GLN QE   . . 3.490 3.005 2.483 3.311     .  0 0 "[    .    1    .    2]" 1 
        152 1  19 GLU H    1 109 GLN HE22 . . 4.150 3.509 2.900 3.899     .  0 0 "[    .    1    .    2]" 1 
        153 1  19 GLU HA   1  19 GLU HG2  . . 4.230 2.740 2.258 3.865     .  0 0 "[    .    1    .    2]" 1 
        154 1  19 GLU HA   1  19 GLU QG   . . 3.710 2.431 2.232 2.893     .  0 0 "[    .    1    .    2]" 1 
        155 1  19 GLU HA   1  19 GLU HG3  . . 4.230 3.094 2.315 3.673     .  0 0 "[    .    1    .    2]" 1 
        156 1  19 GLU HA   1  22 LEU H    . . 4.310 3.706 3.243 4.045     .  0 0 "[    .    1    .    2]" 1 
        157 1  19 GLU HA   1  22 LEU QB   . . 3.570 2.802 2.329 3.411     .  0 0 "[    .    1    .    2]" 1 
        158 1  19 GLU HA   1  22 LEU MD1  . . 3.710 2.418 2.088 2.780     .  0 0 "[    .    1    .    2]" 1 
        159 1  19 GLU HA   1  22 LEU HG   . . 4.620 3.752 3.330 4.074     .  0 0 "[    .    1    .    2]" 1 
        160 1  19 GLU HA   1  23 ARG H    . . 4.490 4.229 3.989 4.487     .  0 0 "[    .    1    .    2]" 1 
        161 1  19 GLU HA   1 109 GLN HE21 . . 4.860 3.105 2.492 4.083     .  0 0 "[    .    1    .    2]" 1 
        162 1  19 GLU HA   1 109 GLN QE   . . 4.170 2.915 2.105 3.814     .  0 0 "[    .    1    .    2]" 1 
        163 1  19 GLU HA   1 109 GLN HE22 . . 4.860 4.072 2.135 4.778     .  0 0 "[    .    1    .    2]" 1 
        164 1  19 GLU HB2  1 109 GLN HE21 . . 4.500 3.126 2.196 3.706     .  0 0 "[    .    1    .    2]" 1 
        165 1  19 GLU HB2  1 109 GLN QE   . . 3.930 2.833 2.042 3.435     .  0 0 "[    .    1    .    2]" 1 
        166 1  19 GLU HB2  1 109 GLN HE22 . . 4.500 3.578 2.057 4.496     .  0 0 "[    .    1    .    2]" 1 
        167 1  19 GLU HB3  1  20 GLN H    . . 3.060 2.675 2.144 3.037     .  0 0 "[    .    1    .    2]" 1 
        168 1  19 GLU HB3  1 109 GLN QE   . . 5.150 4.197 3.426 4.703     .  0 0 "[    .    1    .    2]" 1 
        169 1  19 GLU QG   1  20 GLN H    . . 4.820 3.991 3.534 4.368     .  0 0 "[    .    1    .    2]" 1 
        170 1  19 GLU QG   1  20 GLN HA   . . 5.340 4.181 3.469 4.893     .  0 0 "[    .    1    .    2]" 1 
        171 1  19 GLU QG   1  38 PHE QD   . . 3.960 3.247 2.642 3.765     .  0 0 "[    .    1    .    2]" 1 
        172 1  19 GLU QG   1  38 PHE QE   . . 4.570 3.884 3.113 4.456     .  0 0 "[    .    1    .    2]" 1 
        173 1  19 GLU HG2  1  20 GLN H    . . 5.500 4.281 3.643 4.793     .  0 0 "[    .    1    .    2]" 1 
        174 1  19 GLU HG2  1  38 PHE QD   . . 4.620 3.534 2.712 4.563     .  0 0 "[    .    1    .    2]" 1 
        175 1  19 GLU HG3  1  20 GLN H    . . 5.500 4.893 3.710 5.220     .  0 0 "[    .    1    .    2]" 1 
        176 1  19 GLU HG3  1  38 PHE QD   . . 4.620 3.979 3.411 4.410     .  0 0 "[    .    1    .    2]" 1 
        177 1  20 GLN H    1  20 GLN HB2  . . 3.610 2.540 2.166 3.538     .  0 0 "[    .    1    .    2]" 1 
        178 1  20 GLN H    1  20 GLN QB   . . 2.940 2.208 2.145 2.275     .  0 0 "[    .    1    .    2]" 1 
        179 1  20 GLN H    1  20 GLN HB3  . . 3.610 2.813 2.258 3.541     .  0 0 "[    .    1    .    2]" 1 
        180 1  20 GLN H    1  20 GLN HG2  . . 4.800 3.918 2.867 4.662     .  0 0 "[    .    1    .    2]" 1 
        181 1  20 GLN H    1  20 GLN QG   . . 4.050 3.505 2.744 4.002     .  0 0 "[    .    1    .    2]" 1 
        182 1  20 GLN H    1  20 GLN HG3  . . 4.800 4.115 2.853 4.604     .  0 0 "[    .    1    .    2]" 1 
        183 1  20 GLN H    1  21 GLU H    . . 3.430 2.623 2.303 2.898     .  0 0 "[    .    1    .    2]" 1 
        184 1  20 GLN H    1  22 LEU H    . . 4.810 4.024 3.698 4.508     .  0 0 "[    .    1    .    2]" 1 
        185 1  20 GLN HA   1  20 GLN HG2  . . 4.120 3.226 2.334 4.227 0.107 13 0 "[    .    1    .    2]" 1 
        186 1  20 GLN HA   1  20 GLN QG   . . 3.570 2.781 2.307 3.413     .  0 0 "[    .    1    .    2]" 1 
        187 1  20 GLN HA   1  20 GLN HG3  . . 4.120 3.412 2.931 3.670     .  0 0 "[    .    1    .    2]" 1 
        188 1  20 GLN HA   1  23 ARG H    . . 4.350 3.830 3.171 4.263     .  0 0 "[    .    1    .    2]" 1 
        189 1  20 GLN HA   1  24 GLU H    . . 4.740 4.232 3.438 4.740     .  0 0 "[    .    1    .    2]" 1 
        190 1  20 GLN QB   1  21 GLU H    . . 3.650 2.612 2.186 3.468     .  0 0 "[    .    1    .    2]" 1 
        191 1  20 GLN HB2  1  21 GLU H    . . 4.220 3.471 2.378 4.158     .  0 0 "[    .    1    .    2]" 1 
        192 1  20 GLN HB3  1  21 GLU H    . . 4.220 2.844 2.260 3.784     .  0 0 "[    .    1    .    2]" 1 
        193 1  20 GLN QE   1  20 GLN QG   . . 2.980 2.291 2.068 2.728     .  0 0 "[    .    1    .    2]" 1 
        194 1  20 GLN QE   1  23 ARG QD   . . 4.100 3.021 2.008 3.981     .  0 0 "[    .    1    .    2]" 1 
        195 1  20 GLN QE   1  24 GLU QG   . . 3.430 2.510 1.886 3.442 0.012 11 0 "[    .    1    .    2]" 1 
        196 1  20 GLN HE21 1  23 ARG QB   . . 5.500 4.352 2.963 5.435     .  0 0 "[    .    1    .    2]" 1 
        197 1  20 GLN HE21 1  24 GLU QB   . . 5.500 4.050 2.332 5.347     .  0 0 "[    .    1    .    2]" 1 
        198 1  20 GLN HE22 1  23 ARG QB   . . 5.500 4.551 3.347 5.438     .  0 0 "[    .    1    .    2]" 1 
        199 1  20 GLN HE22 1  24 GLU QB   . . 5.500 4.449 2.665 5.431     .  0 0 "[    .    1    .    2]" 1 
        200 1  21 GLU H    1  21 GLU HB2  . . 3.040 2.610 2.472 2.801     .  0 0 "[    .    1    .    2]" 1 
        201 1  21 GLU H    1  21 GLU QG   . . 3.110 2.077 1.889 2.438     .  0 0 "[    .    1    .    2]" 1 
        202 1  21 GLU H    1  22 LEU H    . . 3.480 2.646 2.230 2.904     .  0 0 "[    .    1    .    2]" 1 
        203 1  21 GLU H    1  23 ARG H    . . 4.990 4.536 4.163 4.983     .  0 0 "[    .    1    .    2]" 1 
        204 1  21 GLU H    1 128 VAL MG2  . . 5.240 4.975 4.642 5.239     .  0 0 "[    .    1    .    2]" 1 
        205 1  21 GLU HA   1  21 GLU HG2  . . 3.880 2.976 2.603 3.322     .  0 0 "[    .    1    .    2]" 1 
        206 1  21 GLU HA   1  21 GLU QG   . . 3.380 2.843 2.524 3.108     .  0 0 "[    .    1    .    2]" 1 
        207 1  21 GLU HA   1  21 GLU HG3  . . 3.880 3.645 3.091 3.880 0.000  8 0 "[    .    1    .    2]" 1 
        208 1  21 GLU HA   1 128 VAL MG2  . . 4.180 3.962 3.333 4.186 0.006 16 0 "[    .    1    .    2]" 1 
        209 1  21 GLU HA   1 129 GLY H    . . 5.500 5.446 5.298 5.512 0.012 16 0 "[    .    1    .    2]" 1 
        210 1  21 GLU HB2  1  22 LEU H    . . 3.470 2.694 2.213 3.156     .  0 0 "[    .    1    .    2]" 1 
        211 1  21 GLU HB2  1 128 VAL HA   . . 3.910 3.030 2.555 3.456     .  0 0 "[    .    1    .    2]" 1 
        212 1  21 GLU HB2  1 128 VAL MG1  . . 3.810 2.909 2.253 3.361     .  0 0 "[    .    1    .    2]" 1 
        213 1  21 GLU HB2  1 128 VAL MG2  . . 3.730 3.139 2.674 3.509     .  0 0 "[    .    1    .    2]" 1 
        214 1  21 GLU HB3  1  22 LEU H    . . 4.740 3.790 3.215 4.146     .  0 0 "[    .    1    .    2]" 1 
        215 1  21 GLU HB3  1 128 VAL H    . . 4.790 4.483 3.509 4.791 0.001  6 0 "[    .    1    .    2]" 1 
        216 1  21 GLU HB3  1 128 VAL HA   . . 3.630 2.048 1.993 2.146     .  0 0 "[    .    1    .    2]" 1 
        217 1  21 GLU HB3  1 128 VAL MG1  . . 3.850 3.277 2.665 3.826     .  0 0 "[    .    1    .    2]" 1 
        218 1  21 GLU HB3  1 128 VAL MG2  . . 3.520 2.671 2.098 3.097     .  0 0 "[    .    1    .    2]" 1 
        219 1  21 GLU HB3  1 129 GLY H    . . 4.240 3.178 2.909 3.446     .  0 0 "[    .    1    .    2]" 1 
        220 1  21 GLU QG   1  22 LEU H    . . 4.080 3.939 3.790 4.062     .  0 0 "[    .    1    .    2]" 1 
        221 1  21 GLU QG   1 128 VAL HA   . . 4.340 3.379 2.828 3.933     .  0 0 "[    .    1    .    2]" 1 
        222 1  21 GLU QG   1 128 VAL MG1  . . 5.150 3.921 3.454 4.533     .  0 0 "[    .    1    .    2]" 1 
        223 1  21 GLU QG   1 128 VAL MG2  . . 5.100 4.273 3.892 4.642     .  0 0 "[    .    1    .    2]" 1 
        224 1  21 GLU QG   1 129 GLY H    . . 4.280 2.918 2.326 3.873     .  0 0 "[    .    1    .    2]" 1 
        225 1  22 LEU H    1  22 LEU HB2  . . 3.660 2.370 2.241 2.609     .  0 0 "[    .    1    .    2]" 1 
        226 1  22 LEU H    1  22 LEU QB   . . 2.990 2.337 2.218 2.553     .  0 0 "[    .    1    .    2]" 1 
        227 1  22 LEU H    1  22 LEU HB3  . . 3.660 3.568 3.528 3.619     .  0 0 "[    .    1    .    2]" 1 
        228 1  22 LEU H    1  22 LEU MD1  . . 3.690 3.568 3.229 3.694 0.004 11 0 "[    .    1    .    2]" 1 
        229 1  22 LEU H    1  22 LEU MD2  . . 3.910 3.676 3.350 3.910     . 14 0 "[    .    1    .    2]" 1 
        230 1  22 LEU H    1  22 LEU HG   . . 3.340 2.515 2.142 2.806     .  0 0 "[    .    1    .    2]" 1 
        231 1  22 LEU H    1  23 ARG H    . . 3.420 2.848 2.525 3.157     .  0 0 "[    .    1    .    2]" 1 
        232 1  22 LEU H    1  24 GLU H    . . 4.940 4.362 3.709 4.938     .  0 0 "[    .    1    .    2]" 1 
        233 1  22 LEU H    1 128 VAL MG1  . . 4.690 4.149 3.600 4.690     .  0 0 "[    .    1    .    2]" 1 
        234 1  22 LEU H    1 128 VAL MG2  . . 4.390 3.704 3.120 4.151     .  0 0 "[    .    1    .    2]" 1 
        235 1  22 LEU HA   1  22 LEU MD1  . . 4.160 3.867 3.838 3.922     .  0 0 "[    .    1    .    2]" 1 
        236 1  22 LEU HA   1  22 LEU MD2  . . 3.120 2.155 2.027 2.368     .  0 0 "[    .    1    .    2]" 1 
        237 1  22 LEU HA   1  22 LEU HG   . . 3.920 2.876 2.750 2.994     .  0 0 "[    .    1    .    2]" 1 
        238 1  22 LEU HA   1  25 TRP H    . . 3.970 3.665 3.378 3.899     .  0 0 "[    .    1    .    2]" 1 
        239 1  22 LEU HA   1  25 TRP HB2  . . 4.250 3.809 3.450 4.255 0.005 14 0 "[    .    1    .    2]" 1 
        240 1  22 LEU HA   1  25 TRP HB3  . . 4.000 2.865 2.595 3.258     .  0 0 "[    .    1    .    2]" 1 
        241 1  22 LEU HA   1  25 TRP HE3  . . 4.210 2.945 2.672 3.396     .  0 0 "[    .    1    .    2]" 1 
        242 1  22 LEU HA   1  26 ILE H    . . 4.480 4.165 3.669 4.486 0.006 11 0 "[    .    1    .    2]" 1 
        243 1  22 LEU HA   1  26 ILE MD   . . 4.730 3.923 3.497 4.391     .  0 0 "[    .    1    .    2]" 1 
        244 1  22 LEU HA   1 128 VAL MG2  . . 3.690 2.516 1.943 2.989     .  0 0 "[    .    1    .    2]" 1 
        245 1  22 LEU QB   1  23 ARG H    . . 3.670 2.290 2.014 2.428     .  0 0 "[    .    1    .    2]" 1 
        246 1  22 LEU QB   1  26 ILE MD   . . 3.920 2.661 2.275 3.055     .  0 0 "[    .    1    .    2]" 1 
        247 1  22 LEU QB   1  38 PHE QE   . . 4.290 2.543 1.935 3.322     .  0 0 "[    .    1    .    2]" 1 
        248 1  22 LEU QB   1  38 PHE HZ   . . 3.790 2.901 2.084 3.517     .  0 0 "[    .    1    .    2]" 1 
        249 1  22 LEU QB   1 112 LEU MD1  . . 3.970 2.832 2.524 3.129     .  0 0 "[    .    1    .    2]" 1 
        250 1  22 LEU HB2  1  26 ILE MD   . . 4.530 4.012 3.285 4.486     .  0 0 "[    .    1    .    2]" 1 
        251 1  22 LEU HB2  1  38 PHE HZ   . . 4.330 3.738 2.880 4.302     .  0 0 "[    .    1    .    2]" 1 
        252 1  22 LEU HB2  1 112 LEU MD1  . . 4.730 4.012 3.780 4.323     .  0 0 "[    .    1    .    2]" 1 
        253 1  22 LEU HB3  1  26 ILE MD   . . 4.530 2.703 2.299 3.109     .  0 0 "[    .    1    .    2]" 1 
        254 1  22 LEU HB3  1  38 PHE HZ   . . 4.330 3.036 2.138 3.732     .  0 0 "[    .    1    .    2]" 1 
        255 1  22 LEU HB3  1 112 LEU MD1  . . 4.730 2.897 2.561 3.225     .  0 0 "[    .    1    .    2]" 1 
        256 1  22 LEU MD1  1  23 ARG H    . . 4.440 4.183 3.850 4.409     .  0 0 "[    .    1    .    2]" 1 
        257 1  22 LEU MD1  1  26 ILE MD   . . 4.450 4.066 3.761 4.397     .  0 0 "[    .    1    .    2]" 1 
        258 1  22 LEU MD1  1  38 PHE QE   . . 4.590 3.327 2.836 3.845     .  0 0 "[    .    1    .    2]" 1 
        259 1  22 LEU MD1  1  38 PHE HZ   . . 4.400 2.820 2.076 3.581     .  0 0 "[    .    1    .    2]" 1 
        260 1  22 LEU MD1  1 109 GLN HA   . . 4.350 3.047 2.717 3.361     .  0 0 "[    .    1    .    2]" 1 
        261 1  22 LEU MD1  1 109 GLN HE21 . . 4.710 2.680 2.118 3.381     .  0 0 "[    .    1    .    2]" 1 
        262 1  22 LEU MD1  1 109 GLN QE   . . 4.060 2.545 2.054 3.009     .  0 0 "[    .    1    .    2]" 1 
        263 1  22 LEU MD1  1 109 GLN HE22 . . 4.710 3.582 2.377 4.539     .  0 0 "[    .    1    .    2]" 1 
        264 1  22 LEU MD1  1 109 GLN HG2  . . 3.780 2.480 1.945 3.682     .  0 0 "[    .    1    .    2]" 1 
        265 1  22 LEU MD1  1 109 GLN QG   . . 3.250 2.218 1.821 2.622     .  0 0 "[    .    1    .    2]" 1 
        266 1  22 LEU MD1  1 109 GLN HG3  . . 3.780 2.803 2.129 3.775     .  0 0 "[    .    1    .    2]" 1 
        267 1  22 LEU MD1  1 112 LEU H    . . 4.790 4.510 4.203 4.713     .  0 0 "[    .    1    .    2]" 1 
        268 1  22 LEU MD1  1 112 LEU HB2  . . 3.590 2.630 2.173 2.904     .  0 0 "[    .    1    .    2]" 1 
        269 1  22 LEU MD1  1 112 LEU HB3  . . 3.820 3.523 3.070 3.821 0.001 11 0 "[    .    1    .    2]" 1 
        270 1  22 LEU MD2  1  23 ARG H    . . 4.650 4.589 4.476 4.666 0.016 18 0 "[    .    1    .    2]" 1 
        271 1  22 LEU MD2  1  25 TRP HB2  . . 5.310 4.845 4.444 5.230     .  0 0 "[    .    1    .    2]" 1 
        272 1  22 LEU MD2  1  25 TRP HB3  . . 4.420 3.988 3.617 4.335     .  0 0 "[    .    1    .    2]" 1 
        273 1  22 LEU MD2  1  25 TRP HE3  . . 3.350 2.667 2.300 3.116     .  0 0 "[    .    1    .    2]" 1 
        274 1  22 LEU MD2  1  25 TRP HZ3  . . 3.900 3.284 2.883 3.900     .  0 0 "[    .    1    .    2]" 1 
        275 1  22 LEU MD2  1  26 ILE MD   . . 4.120 3.381 3.080 3.676     .  0 0 "[    .    1    .    2]" 1 
        276 1  22 LEU MD2  1 112 LEU H    . . 4.710 4.311 4.072 4.490     .  0 0 "[    .    1    .    2]" 1 
        277 1  22 LEU MD2  1 112 LEU HB2  . . 3.610 2.137 1.997 2.429     .  0 0 "[    .    1    .    2]" 1 
        278 1  22 LEU MD2  1 112 LEU HB3  . . 3.440 2.054 1.944 2.244     .  0 0 "[    .    1    .    2]" 1 
        279 1  22 LEU MD2  1 112 LEU MD2  . . 3.520 3.371 3.100 3.508     .  0 0 "[    .    1    .    2]" 1 
        280 1  22 LEU MD2  1 113 LEU H    . . 4.170 3.142 2.789 3.465     .  0 0 "[    .    1    .    2]" 1 
        281 1  22 LEU MD2  1 113 LEU HA   . . 3.360 2.914 2.440 3.358     .  0 0 "[    .    1    .    2]" 1 
        282 1  22 LEU MD2  1 113 LEU MD2  . . 3.130 2.471 2.129 2.813     .  0 0 "[    .    1    .    2]" 1 
        283 1  22 LEU MD2  1 114 ALA H    . . 5.450 5.125 4.871 5.444     .  0 0 "[    .    1    .    2]" 1 
        284 1  22 LEU MD2  1 128 VAL MG1  . . 3.240 2.578 1.991 3.091     .  0 0 "[    .    1    .    2]" 1 
        285 1  22 LEU MD2  1 128 VAL MG2  . . 3.170 2.529 1.970 3.169     .  0 0 "[    .    1    .    2]" 1 
        286 1  22 LEU HG   1  23 ARG H    . . 4.630 4.454 4.290 4.621     .  0 0 "[    .    1    .    2]" 1 
        287 1  22 LEU HG   1 109 GLN QE   . . 4.960 4.433 3.796 4.869     .  0 0 "[    .    1    .    2]" 1 
        288 1  22 LEU HG   1 112 LEU MD1  . . 4.910 4.368 4.122 4.649     .  0 0 "[    .    1    .    2]" 1 
        289 1  22 LEU HG   1 128 VAL MG1  . . 3.800 3.261 2.883 3.793     .  0 0 "[    .    1    .    2]" 1 
        290 1  22 LEU HG   1 128 VAL MG2  . . 4.270 3.579 3.162 4.176     .  0 0 "[    .    1    .    2]" 1 
        291 1  23 ARG H    1  23 ARG QB   . . 2.890 2.338 2.174 2.581     .  0 0 "[    .    1    .    2]" 1 
        292 1  23 ARG H    1  23 ARG QD   . . 4.680 4.125 3.120 4.616     .  0 0 "[    .    1    .    2]" 1 
        293 1  23 ARG H    1  23 ARG QG   . . 4.030 3.071 1.922 3.991     .  0 0 "[    .    1    .    2]" 1 
        294 1  23 ARG H    1  24 GLU H    . . 3.460 2.924 2.678 3.272     .  0 0 "[    .    1    .    2]" 1 
        295 1  23 ARG H    1  27 GLU QG   . . 5.340 5.319 5.229 5.353 0.013 11 0 "[    .    1    .    2]" 1 
        296 1  23 ARG H    1  34 ILE MD   . . 4.570 4.291 3.981 4.558     .  0 0 "[    .    1    .    2]" 1 
        297 1  23 ARG H    1  38 PHE QD   . . 4.480 4.015 3.453 4.483 0.003 11 0 "[    .    1    .    2]" 1 
        298 1  23 ARG H    1  38 PHE QE   . . 3.830 2.938 2.111 3.351     .  0 0 "[    .    1    .    2]" 1 
        299 1  23 ARG HA   1  23 ARG QG   . . 3.690 2.990 2.392 3.450     .  0 0 "[    .    1    .    2]" 1 
        300 1  23 ARG HA   1  25 TRP H    . . 4.750 4.172 3.840 4.475     .  0 0 "[    .    1    .    2]" 1 
        301 1  23 ARG HA   1  26 ILE H    . . 4.490 3.465 3.157 3.840     .  0 0 "[    .    1    .    2]" 1 
        302 1  23 ARG HA   1  26 ILE HB   . . 4.020 2.886 2.466 3.168     .  0 0 "[    .    1    .    2]" 1 
        303 1  23 ARG HA   1  26 ILE MD   . . 4.570 2.748 2.059 3.405     .  0 0 "[    .    1    .    2]" 1 
        304 1  23 ARG HA   1  27 GLU H    . . 4.510 3.420 3.156 3.778     .  0 0 "[    .    1    .    2]" 1 
        305 1  23 ARG HA   1  34 ILE MD   . . 3.600 2.224 1.946 2.470     .  0 0 "[    .    1    .    2]" 1 
        306 1  23 ARG HA   1  38 PHE QD   . . 4.610 4.034 3.604 4.414     .  0 0 "[    .    1    .    2]" 1 
        307 1  23 ARG HA   1  38 PHE QE   . . 3.690 3.029 2.260 3.648     .  0 0 "[    .    1    .    2]" 1 
        308 1  23 ARG QB   1  23 ARG HE   . . 4.240 2.972 1.921 4.279 0.039 18 0 "[    .    1    .    2]" 1 
        309 1  23 ARG QB   1  26 ILE H    . . 5.500 4.996 4.685 5.328     .  0 0 "[    .    1    .    2]" 1 
        310 1  23 ARG QB   1  34 ILE MD   . . 4.200 2.582 2.133 3.182     .  0 0 "[    .    1    .    2]" 1 
        311 1  23 ARG QB   1  38 PHE QD   . . 3.930 2.448 2.248 3.103     .  0 0 "[    .    1    .    2]" 1 
        312 1  23 ARG QB   1  38 PHE QE   . . 4.080 2.884 1.999 3.402     .  0 0 "[    .    1    .    2]" 1 
        313 1  23 ARG QD   1  23 ARG QH2  . . 3.860 3.619 3.609 3.681     .  0 0 "[    .    1    .    2]" 1 
        314 1  23 ARG QD   1  24 GLU H    . . 4.650 3.610 2.412 4.632     .  0 0 "[    .    1    .    2]" 1 
        315 1  23 ARG QG   1  24 GLU H    . . 3.850 2.382 1.753 3.790     .  0 0 "[    .    1    .    2]" 1 
        316 1  23 ARG QG   1  24 GLU HA   . . 4.620 3.291 2.746 4.290     .  0 0 "[    .    1    .    2]" 1 
        317 1  23 ARG QG   1  34 ILE MD   . . 4.410 3.152 1.948 4.388     .  0 0 "[    .    1    .    2]" 1 
        318 1  23 ARG QG   1  38 PHE QD   . . 5.340 4.074 3.643 4.828     .  0 0 "[    .    1    .    2]" 1 
        319 1  23 ARG QG   1  38 PHE QE   . . 5.190 4.414 3.653 5.067     .  0 0 "[    .    1    .    2]" 1 
        320 1  23 ARG HG2  1  24 GLU H    . . 4.450 2.863 1.946 4.092     .  0 0 "[    .    1    .    2]" 1 
        321 1  23 ARG HG3  1  24 GLU H    . . 4.450 3.072 1.900 4.475 0.025 16 0 "[    .    1    .    2]" 1 
        322 1  24 GLU H    1  24 GLU QB   . . 2.850 2.378 2.172 2.696     .  0 0 "[    .    1    .    2]" 1 
        323 1  24 GLU H    1  24 GLU HG2  . . 3.710 3.063 2.056 3.672     .  0 0 "[    .    1    .    2]" 1 
        324 1  24 GLU H    1  24 GLU QG   . . 3.130 2.455 2.026 2.915     .  0 0 "[    .    1    .    2]" 1 
        325 1  24 GLU H    1  24 GLU HG3  . . 3.710 2.873 2.218 3.680     .  0 0 "[    .    1    .    2]" 1 
        326 1  24 GLU H    1  26 ILE H    . . 5.370 4.456 4.075 4.890     .  0 0 "[    .    1    .    2]" 1 
        327 1  24 GLU HA   1  24 GLU HG2  . . 3.920 2.727 2.196 3.823     .  0 0 "[    .    1    .    2]" 1 
        328 1  24 GLU HA   1  24 GLU HG3  . . 3.920 3.313 2.699 3.778     .  0 0 "[    .    1    .    2]" 1 
        329 1  24 GLU HA   1  27 GLU H    . . 4.550 4.288 3.835 4.529     .  0 0 "[    .    1    .    2]" 1 
        330 1  24 GLU HA   1  28 GLY H    . . 4.510 4.122 3.766 4.498     .  0 0 "[    .    1    .    2]" 1 
        331 1  24 GLU QB   1  25 TRP H    . . 3.330 2.911 2.521 3.373 0.043 18 0 "[    .    1    .    2]" 1 
        332 1  24 GLU QB   1  26 ILE H    . . 5.500 5.030 4.738 5.400     .  0 0 "[    .    1    .    2]" 1 
        333 1  24 GLU QG   1  25 TRP H    . . 4.820 3.700 1.865 4.467     .  0 0 "[    .    1    .    2]" 1 
        334 1  25 TRP H    1  25 TRP HB2  . . 3.140 2.709 2.534 2.971     .  0 0 "[    .    1    .    2]" 1 
        335 1  25 TRP H    1  25 TRP HB3  . . 3.190 2.416 2.302 2.531     .  0 0 "[    .    1    .    2]" 1 
        336 1  25 TRP H    1  25 TRP HE3  . . 4.900 4.778 4.575 4.898     .  0 0 "[    .    1    .    2]" 1 
        337 1  25 TRP H    1  26 ILE H    . . 3.400 2.635 2.277 2.848     .  0 0 "[    .    1    .    2]" 1 
        338 1  25 TRP H    1  26 ILE HB   . . 5.160 4.828 4.399 5.090     .  0 0 "[    .    1    .    2]" 1 
        339 1  25 TRP H    1  26 ILE HG13 . . 4.460 4.292 4.069 4.449     .  0 0 "[    .    1    .    2]" 1 
        340 1  25 TRP H    1  27 GLU H    . . 4.790 4.478 4.042 4.744     .  0 0 "[    .    1    .    2]" 1 
        341 1  25 TRP H    1 128 VAL MG2  . . 4.260 3.939 3.526 4.227     .  0 0 "[    .    1    .    2]" 1 
        342 1  25 TRP HA   1  25 TRP HD1  . . 3.260 2.393 2.284 2.570     .  0 0 "[    .    1    .    2]" 1 
        343 1  25 TRP HA   1  25 TRP HE1  . . 5.110 4.879 4.768 5.031     .  0 0 "[    .    1    .    2]" 1 
        344 1  25 TRP HA   1  28 GLY H    . . 4.640 3.894 3.657 4.107     .  0 0 "[    .    1    .    2]" 1 
        345 1  25 TRP HA   1  29 VAL MG2  . . 4.420 3.632 3.171 3.991     .  0 0 "[    .    1    .    2]" 1 
        346 1  25 TRP HB2  1  26 ILE H    . . 4.150 3.847 3.617 4.050     .  0 0 "[    .    1    .    2]" 1 
        347 1  25 TRP HB2  1  26 ILE HG13 . . 5.500 4.847 4.641 5.030     .  0 0 "[    .    1    .    2]" 1 
        348 1  25 TRP HB2  1  29 VAL MG2  . . 5.500 4.787 4.513 5.249     .  0 0 "[    .    1    .    2]" 1 
        349 1  25 TRP HB2  1 128 VAL MG2  . . 3.710 2.416 2.042 2.812     .  0 0 "[    .    1    .    2]" 1 
        350 1  25 TRP HB3  1  25 TRP HE3  . . 4.190 2.502 2.427 2.567     .  0 0 "[    .    1    .    2]" 1 
        351 1  25 TRP HB3  1  26 ILE H    . . 3.470 2.460 2.103 2.750     .  0 0 "[    .    1    .    2]" 1 
        352 1  25 TRP HB3  1  26 ILE HG13 . . 4.500 3.123 2.913 3.298     .  0 0 "[    .    1    .    2]" 1 
        353 1  25 TRP HB3  1 128 VAL MG2  . . 3.940 2.921 2.480 3.288     .  0 0 "[    .    1    .    2]" 1 
        354 1  25 TRP HD1  1  29 VAL H    . . 4.520 4.176 3.692 4.517     .  0 0 "[    .    1    .    2]" 1 
        355 1  25 TRP HD1  1  29 VAL MG2  . . 3.330 2.409 2.062 2.947     .  0 0 "[    .    1    .    2]" 1 
        356 1  25 TRP HD1  1 126 VAL MG1  . . 4.570 3.985 3.505 4.423     .  0 0 "[    .    1    .    2]" 1 
        357 1  25 TRP HD1  1 126 VAL MG2  . . 4.250 4.079 3.617 4.250     .  0 0 "[    .    1    .    2]" 1 
        358 1  25 TRP HE1  1  29 VAL MG1  . . 4.740 4.080 3.757 4.664     .  0 0 "[    .    1    .    2]" 1 
        359 1  25 TRP HE1  1  29 VAL MG2  . . 3.330 2.312 2.004 2.720     .  0 0 "[    .    1    .    2]" 1 
        360 1  25 TRP HE1  1  51 PHE QE   . . 4.690 3.972 3.757 4.450     .  0 0 "[    .    1    .    2]" 1 
        361 1  25 TRP HE1  1  55 LEU MD1  . . 4.820 4.659 4.410 4.817     .  0 0 "[    .    1    .    2]" 1 
        362 1  25 TRP HE1  1  55 LEU MD2  . . 4.020 3.344 3.064 3.614     .  0 0 "[    .    1    .    2]" 1 
        363 1  25 TRP HE1  1 119 ALA MB   . . 4.380 3.955 3.666 4.249     .  0 0 "[    .    1    .    2]" 1 
        364 1  25 TRP HE1  1 126 VAL HA   . . 4.290 3.538 2.867 4.265     .  0 0 "[    .    1    .    2]" 1 
        365 1  25 TRP HE1  1 126 VAL MG1  . . 4.090 3.837 3.457 4.082     .  0 0 "[    .    1    .    2]" 1 
        366 1  25 TRP HE1  1 126 VAL MG2  . . 3.410 2.802 2.417 3.152     .  0 0 "[    .    1    .    2]" 1 
        367 1  25 TRP HE3  1  26 ILE H    . . 4.520 4.234 3.730 4.520 0.000 11 0 "[    .    1    .    2]" 1 
        368 1  25 TRP HE3  1 116 ALA HA   . . 4.980 4.590 4.366 4.855     .  0 0 "[    .    1    .    2]" 1 
        369 1  25 TRP HE3  1 116 ALA MB   . . 4.330 3.254 3.007 3.492     .  0 0 "[    .    1    .    2]" 1 
        370 1  25 TRP HE3  1 128 VAL MG2  . . 3.860 2.486 2.212 3.002     .  0 0 "[    .    1    .    2]" 1 
        371 1  25 TRP HH2  1  55 LEU MD1  . . 4.000 3.152 2.824 3.393     .  0 0 "[    .    1    .    2]" 1 
        372 1  25 TRP HH2  1  55 LEU MD2  . . 4.480 4.164 3.760 4.461     .  0 0 "[    .    1    .    2]" 1 
        373 1  25 TRP HH2  1 115 LEU MD1  . . 4.400 3.746 3.562 4.027     .  0 0 "[    .    1    .    2]" 1 
        374 1  25 TRP HH2  1 115 LEU MD2  . . 3.870 3.301 2.920 3.652     .  0 0 "[    .    1    .    2]" 1 
        375 1  25 TRP HH2  1 115 LEU HG   . . 3.720 2.191 2.000 2.576     .  0 0 "[    .    1    .    2]" 1 
        376 1  25 TRP HH2  1 116 ALA H    . . 4.150 3.054 2.760 3.396     .  0 0 "[    .    1    .    2]" 1 
        377 1  25 TRP HH2  1 116 ALA HA   . . 3.420 2.349 2.226 2.561     .  0 0 "[    .    1    .    2]" 1 
        378 1  25 TRP HH2  1 116 ALA MB   . . 3.790 3.399 3.155 3.661     .  0 0 "[    .    1    .    2]" 1 
        379 1  25 TRP HH2  1 119 ALA H    . . 4.840 4.537 4.317 4.782     .  0 0 "[    .    1    .    2]" 1 
        380 1  25 TRP HH2  1 119 ALA MB   . . 3.510 3.323 3.014 3.509     .  0 0 "[    .    1    .    2]" 1 
        381 1  25 TRP HH2  1 126 VAL MG2  . . 4.610 4.075 3.650 4.533     .  0 0 "[    .    1    .    2]" 1 
        382 1  25 TRP HZ2  1  29 VAL MG2  . . 4.830 4.058 3.781 4.434     .  0 0 "[    .    1    .    2]" 1 
        383 1  25 TRP HZ2  1  55 LEU MD1  . . 3.500 2.642 2.381 2.928     .  0 0 "[    .    1    .    2]" 1 
        384 1  25 TRP HZ2  1  55 LEU MD2  . . 3.410 2.423 2.138 2.801     .  0 0 "[    .    1    .    2]" 1 
        385 1  25 TRP HZ2  1 115 LEU HG   . . 4.500 3.814 3.473 4.277     .  0 0 "[    .    1    .    2]" 1 
        386 1  25 TRP HZ2  1 116 ALA HA   . . 3.930 3.143 2.604 3.429     .  0 0 "[    .    1    .    2]" 1 
        387 1  25 TRP HZ2  1 116 ALA MB   . . 5.260 4.314 3.889 4.497     .  0 0 "[    .    1    .    2]" 1 
        388 1  25 TRP HZ2  1 119 ALA H    . . 5.090 4.691 4.383 4.966     .  0 0 "[    .    1    .    2]" 1 
        389 1  25 TRP HZ2  1 119 ALA MB   . . 3.210 2.509 2.147 2.686     .  0 0 "[    .    1    .    2]" 1 
        390 1  25 TRP HZ2  1 126 VAL MG1  . . 4.280 3.840 3.449 4.130     .  0 0 "[    .    1    .    2]" 1 
        391 1  25 TRP HZ2  1 126 VAL MG2  . . 3.590 2.906 2.480 3.397     .  0 0 "[    .    1    .    2]" 1 
        392 1  25 TRP HZ3  1 116 ALA H    . . 3.940 2.843 2.692 3.102     .  0 0 "[    .    1    .    2]" 1 
        393 1  25 TRP HZ3  1 116 ALA HA   . . 4.250 3.310 3.038 3.690     .  0 0 "[    .    1    .    2]" 1 
        394 1  25 TRP HZ3  1 116 ALA MB   . . 3.510 2.699 2.364 3.082     .  0 0 "[    .    1    .    2]" 1 
        395 1  26 ILE H    1  26 ILE HB   . . 3.210 2.563 2.499 2.646     .  0 0 "[    .    1    .    2]" 1 
        396 1  26 ILE H    1  26 ILE MD   . . 3.720 3.300 3.113 3.491     .  0 0 "[    .    1    .    2]" 1 
        397 1  26 ILE H    1  26 ILE HG12 . . 3.640 3.519 3.302 3.634     .  0 0 "[    .    1    .    2]" 1 
        398 1  26 ILE H    1  26 ILE HG13 . . 3.280 2.069 1.900 2.218     .  0 0 "[    .    1    .    2]" 1 
        399 1  26 ILE H    1  26 ILE MG   . . 3.910 3.767 3.760 3.776     .  0 0 "[    .    1    .    2]" 1 
        400 1  26 ILE H    1  27 GLU H    . . 3.640 2.909 2.705 3.159     .  0 0 "[    .    1    .    2]" 1 
        401 1  26 ILE H    1  28 GLY H    . . 4.750 3.865 3.606 4.298     .  0 0 "[    .    1    .    2]" 1 
        402 1  26 ILE H    1  34 ILE MD   . . 4.500 4.061 3.821 4.486     .  0 0 "[    .    1    .    2]" 1 
        403 1  26 ILE HA   1  26 ILE MD   . . 4.110 3.886 3.843 3.926     .  0 0 "[    .    1    .    2]" 1 
        404 1  26 ILE HA   1  26 ILE HG12 . . 3.690 2.719 2.571 2.879     .  0 0 "[    .    1    .    2]" 1 
        405 1  26 ILE HA   1  26 ILE HG13 . . 3.730 2.832 2.737 2.914     .  0 0 "[    .    1    .    2]" 1 
        406 1  26 ILE HA   1  26 ILE MG   . . 3.310 2.342 2.241 2.442     .  0 0 "[    .    1    .    2]" 1 
        407 1  26 ILE HA   1  28 GLY H    . . 5.210 3.973 3.711 4.591     .  0 0 "[    .    1    .    2]" 1 
        408 1  26 ILE HA   1  29 VAL H    . . 4.130 3.416 3.121 3.602     .  0 0 "[    .    1    .    2]" 1 
        409 1  26 ILE HA   1  29 VAL HB   . . 4.040 2.926 2.484 3.437     .  0 0 "[    .    1    .    2]" 1 
        410 1  26 ILE HA   1  29 VAL MG1  . . 4.780 4.315 3.970 4.783 0.003 11 0 "[    .    1    .    2]" 1 
        411 1  26 ILE HA   1  29 VAL MG2  . . 4.210 3.359 2.844 3.862     .  0 0 "[    .    1    .    2]" 1 
        412 1  26 ILE HA   1  30 THR H    . . 4.530 3.519 3.160 3.945     .  0 0 "[    .    1    .    2]" 1 
        413 1  26 ILE HA   1  51 PHE QD   . . 3.990 3.230 2.922 3.591     .  0 0 "[    .    1    .    2]" 1 
        414 1  26 ILE HA   1  51 PHE QE   . . 3.780 2.212 2.010 2.767     .  0 0 "[    .    1    .    2]" 1 
        415 1  26 ILE HB   1  26 ILE MD   . . 3.230 2.248 2.102 2.385     .  0 0 "[    .    1    .    2]" 1 
        416 1  26 ILE HB   1  27 GLU H    . . 3.530 2.097 1.928 2.317     .  0 0 "[    .    1    .    2]" 1 
        417 1  26 ILE HB   1  27 GLU HA   . . 4.490 4.141 3.998 4.293     .  0 0 "[    .    1    .    2]" 1 
        418 1  26 ILE HB   1  28 GLY H    . . 4.850 4.506 4.249 4.730     .  0 0 "[    .    1    .    2]" 1 
        419 1  26 ILE HB   1  34 ILE MD   . . 3.530 2.216 1.958 2.408     .  0 0 "[    .    1    .    2]" 1 
        420 1  26 ILE MD   1  26 ILE MG   . . 2.950 2.232 1.956 2.492     .  0 0 "[    .    1    .    2]" 1 
        421 1  26 ILE MD   1  27 GLU H    . . 4.520 3.972 3.717 4.193     .  0 0 "[    .    1    .    2]" 1 
        422 1  26 ILE MD   1  34 ILE MD   . . 3.590 2.313 1.973 2.651     .  0 0 "[    .    1    .    2]" 1 
        423 1  26 ILE MD   1  34 ILE QG   . . 4.820 3.810 3.098 4.164     .  0 0 "[    .    1    .    2]" 1 
        424 1  26 ILE MD   1  38 PHE QE   . . 4.130 2.907 2.152 3.326     .  0 0 "[    .    1    .    2]" 1 
        425 1  26 ILE MD   1  38 PHE HZ   . . 3.600 3.095 2.317 3.577     .  0 0 "[    .    1    .    2]" 1 
        426 1  26 ILE MD   1  51 PHE QE   . . 4.780 4.033 3.516 4.579     .  0 0 "[    .    1    .    2]" 1 
        427 1  26 ILE MD   1 112 LEU HB2  . . 5.320 4.841 4.427 5.138     .  0 0 "[    .    1    .    2]" 1 
        428 1  26 ILE MD   1 112 LEU HB3  . . 5.120 3.980 3.555 4.339     .  0 0 "[    .    1    .    2]" 1 
        429 1  26 ILE MD   1 112 LEU MD1  . . 3.550 2.598 2.129 3.036     .  0 0 "[    .    1    .    2]" 1 
        430 1  26 ILE MD   1 112 LEU MD2  . . 3.790 2.679 2.330 3.097     .  0 0 "[    .    1    .    2]" 1 
        431 1  26 ILE MD   1 112 LEU HG   . . 5.500 4.815 4.391 5.314     .  0 0 "[    .    1    .    2]" 1 
        432 1  26 ILE HG12 1  26 ILE MG   . . 3.500 2.233 2.053 2.337     .  0 0 "[    .    1    .    2]" 1 
        433 1  26 ILE HG13 1  26 ILE MG   . . 3.660 3.169 3.137 3.198     .  0 0 "[    .    1    .    2]" 1 
        434 1  26 ILE HG13 1  27 GLU H    . . 4.520 4.121 4.041 4.200     .  0 0 "[    .    1    .    2]" 1 
        435 1  26 ILE MG   1  27 GLU H    . . 4.030 3.003 2.760 3.277     .  0 0 "[    .    1    .    2]" 1 
        436 1  26 ILE MG   1  27 GLU HA   . . 4.360 3.313 3.032 3.467     .  0 0 "[    .    1    .    2]" 1 
        437 1  26 ILE MG   1  29 VAL H    . . 4.930 4.564 4.110 4.887     .  0 0 "[    .    1    .    2]" 1 
        438 1  26 ILE MG   1  30 THR H    . . 4.610 3.475 3.129 4.025     .  0 0 "[    .    1    .    2]" 1 
        439 1  26 ILE MG   1  30 THR HG1  . . 3.990 2.426 1.976 3.205     .  0 0 "[    .    1    .    2]" 1 
        440 1  26 ILE MG   1  30 THR MG   . . 3.490 2.605 2.032 3.163     .  0 0 "[    .    1    .    2]" 1 
        441 1  26 ILE MG   1  32 ARG HB2  . . 4.240 4.055 3.832 4.224     .  0 0 "[    .    1    .    2]" 1 
        442 1  26 ILE MG   1  34 ILE MD   . . 3.250 2.526 2.095 2.934     .  0 0 "[    .    1    .    2]" 1 
        443 1  26 ILE MG   1  47 ILE HA   . . 5.310 4.671 4.391 4.913     .  0 0 "[    .    1    .    2]" 1 
        444 1  26 ILE MG   1  47 ILE MG   . . 2.960 2.064 1.777 2.291     .  0 0 "[    .    1    .    2]" 1 
        445 1  26 ILE MG   1  51 PHE H    . . 5.460 5.012 4.755 5.385     .  0 0 "[    .    1    .    2]" 1 
        446 1  26 ILE MG   1  51 PHE HA   . . 4.580 4.205 3.993 4.556     .  0 0 "[    .    1    .    2]" 1 
        447 1  26 ILE MG   1  51 PHE HB2  . . 4.390 3.269 2.841 3.612     .  0 0 "[    .    1    .    2]" 1 
        448 1  26 ILE MG   1  51 PHE HB3  . . 4.880 4.541 4.100 4.878     .  0 0 "[    .    1    .    2]" 1 
        449 1  26 ILE MG   1  51 PHE QD   . . 4.140 2.892 2.300 3.343     .  0 0 "[    .    1    .    2]" 1 
        450 1  26 ILE MG   1  51 PHE QE   . . 4.920 3.479 3.061 4.032     .  0 0 "[    .    1    .    2]" 1 
        451 1  27 GLU H    1  27 GLU HB2  . . 3.650 2.864 2.414 3.593     .  0 0 "[    .    1    .    2]" 1 
        452 1  27 GLU H    1  27 GLU QB   . . 3.150 2.567 2.379 2.713     .  0 0 "[    .    1    .    2]" 1 
        453 1  27 GLU H    1  27 GLU HB3  . . 3.650 3.361 2.554 3.616     .  0 0 "[    .    1    .    2]" 1 
        454 1  27 GLU H    1  27 GLU HG2  . . 3.790 2.839 2.127 3.223     .  0 0 "[    .    1    .    2]" 1 
        455 1  27 GLU H    1  27 GLU QG   . . 3.240 2.137 1.885 2.477     .  0 0 "[    .    1    .    2]" 1 
        456 1  27 GLU H    1  27 GLU HG3  . . 3.790 2.268 1.899 2.808     .  0 0 "[    .    1    .    2]" 1 
        457 1  27 GLU H    1  28 GLY H    . . 3.390 2.831 2.657 3.017     .  0 0 "[    .    1    .    2]" 1 
        458 1  27 GLU H    1  29 VAL H    . . 5.320 4.560 4.142 4.982     .  0 0 "[    .    1    .    2]" 1 
        459 1  27 GLU H    1  34 ILE HB   . . 5.500 5.252 4.716 5.499     .  0 0 "[    .    1    .    2]" 1 
        460 1  27 GLU H    1  34 ILE MD   . . 4.080 2.696 2.233 3.308     .  0 0 "[    .    1    .    2]" 1 
        461 1  27 GLU HA   1  27 GLU HG2  . . 4.040 2.818 2.246 4.197 0.157 19 0 "[    .    1    .    2]" 1 
        462 1  27 GLU HA   1  27 GLU HG3  . . 4.040 3.395 3.023 3.659     .  0 0 "[    .    1    .    2]" 1 
        463 1  27 GLU HA   1  30 THR HG1  . . 3.880 3.316 2.688 3.872     .  0 0 "[    .    1    .    2]" 1 
        464 1  27 GLU HA   1  32 ARG H    . . 4.240 3.083 2.292 3.673     .  0 0 "[    .    1    .    2]" 1 
        465 1  27 GLU HA   1  32 ARG HB2  . . 4.680 4.074 3.469 4.476     .  0 0 "[    .    1    .    2]" 1 
        466 1  27 GLU HA   1  34 ILE MD   . . 4.360 3.885 3.173 4.360     .  0 0 "[    .    1    .    2]" 1 
        467 1  27 GLU QB   1  28 GLY H    . . 3.750 2.990 2.428 3.710     .  0 0 "[    .    1    .    2]" 1 
        468 1  27 GLU QB   1  33 ARG QD   . . 4.440 3.722 2.972 4.265     .  0 0 "[    .    1    .    2]" 1 
        469 1  27 GLU HB2  1  28 GLY H    . . 4.270 3.129 2.460 4.095     .  0 0 "[    .    1    .    2]" 1 
        470 1  27 GLU HB3  1  28 GLY H    . . 4.270 3.935 3.683 4.280 0.010 11 0 "[    .    1    .    2]" 1 
        471 1  27 GLU QG   1  28 GLY H    . . 4.360 3.682 2.349 4.308     .  0 0 "[    .    1    .    2]" 1 
        472 1  27 GLU QG   1  33 ARG HA   . . 4.220 3.433 3.018 4.072     .  0 0 "[    .    1    .    2]" 1 
        473 1  27 GLU QG   1  34 ILE H    . . 3.770 2.552 2.047 3.601     .  0 0 "[    .    1    .    2]" 1 
        474 1  27 GLU QG   1  34 ILE HB   . . 4.970 3.227 2.564 3.976     .  0 0 "[    .    1    .    2]" 1 
        475 1  27 GLU QG   1  34 ILE MD   . . 3.520 2.274 1.906 3.074     .  0 0 "[    .    1    .    2]" 1 
        476 1  27 GLU QG   1  34 ILE QG   . . 4.010 2.557 1.974 3.967     .  0 0 "[    .    1    .    2]" 1 
        477 1  27 GLU HG2  1  28 GLY H    . . 5.020 4.644 3.622 5.020 0.000 14 0 "[    .    1    .    2]" 1 
        478 1  27 GLU HG2  1  33 ARG HA   . . 4.890 3.547 3.062 4.520     .  0 0 "[    .    1    .    2]" 1 
        479 1  27 GLU HG2  1  34 ILE MD   . . 4.060 2.672 1.918 3.410     .  0 0 "[    .    1    .    2]" 1 
        480 1  27 GLU HG3  1  28 GLY H    . . 5.020 3.916 2.370 4.724     .  0 0 "[    .    1    .    2]" 1 
        481 1  27 GLU HG3  1  33 ARG HA   . . 4.890 4.769 4.555 4.889     .  0 0 "[    .    1    .    2]" 1 
        482 1  27 GLU HG3  1  34 ILE MD   . . 4.060 2.647 2.022 4.005     .  0 0 "[    .    1    .    2]" 1 
        483 1  28 GLY H    1  29 VAL H    . . 3.160 2.557 2.433 2.866     .  0 0 "[    .    1    .    2]" 1 
        484 1  28 GLY H    1  29 VAL MG2  . . 4.410 4.171 3.895 4.405     .  0 0 "[    .    1    .    2]" 1 
        485 1  28 GLY HA3  1  29 VAL H    . . 3.490 2.746 2.525 2.960     .  0 0 "[    .    1    .    2]" 1 
        486 1  28 GLY HA3  1  29 VAL MG2  . . 3.990 3.860 3.670 3.968     .  0 0 "[    .    1    .    2]" 1 
        487 1  29 VAL H    1  29 VAL HB   . . 3.010 2.493 2.388 2.616     .  0 0 "[    .    1    .    2]" 1 
        488 1  29 VAL H    1  29 VAL MG1  . . 3.960 3.760 3.734 3.785     .  0 0 "[    .    1    .    2]" 1 
        489 1  29 VAL H    1  29 VAL MG2  . . 3.060 2.263 1.919 2.461     .  0 0 "[    .    1    .    2]" 1 
        490 1  29 VAL H    1  30 THR H    . . 3.370 2.941 2.671 3.298     .  0 0 "[    .    1    .    2]" 1 
        491 1  29 VAL H    1  30 THR HG1  . . 4.380 4.134 3.789 4.371     .  0 0 "[    .    1    .    2]" 1 
        492 1  29 VAL H    1  30 THR MG   . . 5.050 4.738 4.413 5.028     .  0 0 "[    .    1    .    2]" 1 
        493 1  29 VAL H    1  51 PHE QD   . . 5.410 5.104 4.714 5.381     .  0 0 "[    .    1    .    2]" 1 
        494 1  29 VAL H    1  51 PHE QE   . . 4.320 4.148 3.817 4.317     .  0 0 "[    .    1    .    2]" 1 
        495 1  29 VAL HA   1  29 VAL MG1  . . 3.240 2.436 2.343 2.479     .  0 0 "[    .    1    .    2]" 1 
        496 1  29 VAL HA   1  29 VAL MG2  . . 2.960 2.353 2.225 2.435     .  0 0 "[    .    1    .    2]" 1 
        497 1  29 VAL HA   1  30 THR MG   . . 5.500 5.006 4.828 5.206     .  0 0 "[    .    1    .    2]" 1 
        498 1  29 VAL HA   1  54 LYS HG3  . . 5.500 4.609 4.310 4.815     .  0 0 "[    .    1    .    2]" 1 
        499 1  29 VAL HB   1  30 THR H    . . 3.580 2.075 1.900 2.314     .  0 0 "[    .    1    .    2]" 1 
        500 1  29 VAL HB   1  30 THR HA   . . 4.630 4.320 4.182 4.435     .  0 0 "[    .    1    .    2]" 1 
        501 1  29 VAL HB   1  30 THR MG   . . 4.060 3.228 2.968 3.619     .  0 0 "[    .    1    .    2]" 1 
        502 1  29 VAL HB   1  51 PHE QD   . . 3.920 2.986 2.671 3.258     .  0 0 "[    .    1    .    2]" 1 
        503 1  29 VAL HB   1  51 PHE QE   . . 3.800 2.513 2.133 3.017     .  0 0 "[    .    1    .    2]" 1 
        504 1  29 VAL HB   1  54 LYS HG3  . . 4.910 4.174 3.716 4.533     .  0 0 "[    .    1    .    2]" 1 
        505 1  29 VAL MG1  1  30 THR H    . . 4.040 2.817 2.546 3.071     .  0 0 "[    .    1    .    2]" 1 
        506 1  29 VAL MG1  1  30 THR HA   . . 4.080 3.193 2.942 3.379     .  0 0 "[    .    1    .    2]" 1 
        507 1  29 VAL MG1  1  30 THR MG   . . 3.590 2.845 2.566 3.142     .  0 0 "[    .    1    .    2]" 1 
        508 1  29 VAL MG1  1  51 PHE HA   . . 4.020 3.338 3.028 3.819     .  0 0 "[    .    1    .    2]" 1 
        509 1  29 VAL MG1  1  51 PHE QD   . . 3.500 2.933 2.581 3.490     .  0 0 "[    .    1    .    2]" 1 
        510 1  29 VAL MG1  1  51 PHE QE   . . 3.790 3.202 2.572 3.757     .  0 0 "[    .    1    .    2]" 1 
        511 1  29 VAL MG1  1  54 LYS H    . . 4.350 4.087 3.895 4.351 0.001  6 0 "[    .    1    .    2]" 1 
        512 1  29 VAL MG1  1  54 LYS HA   . . 4.690 4.238 3.999 4.522     .  0 0 "[    .    1    .    2]" 1 
        513 1  29 VAL MG1  1  54 LYS HB2  . . 3.620 2.185 1.999 2.463     .  0 0 "[    .    1    .    2]" 1 
        514 1  29 VAL MG1  1  54 LYS HB3  . . 3.210 2.309 2.078 2.585     .  0 0 "[    .    1    .    2]" 1 
        515 1  29 VAL MG1  1  54 LYS HD2  . . 4.460 3.181 2.584 4.125     .  0 0 "[    .    1    .    2]" 1 
        516 1  29 VAL MG1  1  54 LYS QD   . . 3.910 3.066 2.539 3.729     .  0 0 "[    .    1    .    2]" 1 
        517 1  29 VAL MG1  1  54 LYS HD3  . . 4.460 4.106 3.712 4.401     .  0 0 "[    .    1    .    2]" 1 
        518 1  29 VAL MG1  1  54 LYS QE   . . 4.180 3.545 2.027 4.001     .  0 0 "[    .    1    .    2]" 1 
        519 1  29 VAL MG1  1  54 LYS HG2  . . 4.050 3.366 3.065 3.604     .  0 0 "[    .    1    .    2]" 1 
        520 1  29 VAL MG1  1  54 LYS HG3  . . 3.220 2.068 1.776 2.299     .  0 0 "[    .    1    .    2]" 1 
        521 1  29 VAL MG1  1  55 LEU H    . . 4.320 4.218 4.038 4.319     .  0 0 "[    .    1    .    2]" 1 
        522 1  29 VAL MG1  1  55 LEU MD1  . . 4.720 4.370 4.031 4.721 0.001 11 0 "[    .    1    .    2]" 1 
        523 1  29 VAL MG1  1  55 LEU MD2  . . 3.700 2.748 2.599 2.992     .  0 0 "[    .    1    .    2]" 1 
        524 1  29 VAL MG2  1  30 THR H    . . 4.140 3.672 3.552 3.806     .  0 0 "[    .    1    .    2]" 1 
        525 1  29 VAL MG2  1  51 PHE QD   . . 4.220 3.962 3.726 4.197     .  0 0 "[    .    1    .    2]" 1 
        526 1  29 VAL MG2  1  51 PHE QE   . . 3.340 2.454 2.011 2.951     .  0 0 "[    .    1    .    2]" 1 
        527 1  29 VAL MG2  1  55 LEU MD1  . . 4.960 4.655 4.341 4.905     .  0 0 "[    .    1    .    2]" 1 
        528 1  29 VAL MG2  1  55 LEU MD2  . . 3.500 3.215 3.042 3.412     .  0 0 "[    .    1    .    2]" 1 
        529 1  30 THR H    1  30 THR HG1  . . 3.050 2.008 1.909 2.216     .  0 0 "[    .    1    .    2]" 1 
        530 1  30 THR H    1  30 THR MG   . . 3.290 2.369 2.128 2.733     .  0 0 "[    .    1    .    2]" 1 
        531 1  30 THR H    1  31 GLY H    . . 3.220 2.822 2.529 3.077     .  0 0 "[    .    1    .    2]" 1 
        532 1  30 THR HA   1  30 THR MG   . . 3.030 2.245 2.078 2.391     .  0 0 "[    .    1    .    2]" 1 
        533 1  30 THR HA   1  50 GLU HB3  . . 4.820 3.952 3.378 4.412     .  0 0 "[    .    1    .    2]" 1 
        534 1  30 THR HA   1  51 PHE QD   . . 5.470 4.727 4.462 5.261     .  0 0 "[    .    1    .    2]" 1 
        535 1  30 THR HA   1  54 LYS QD   . . 3.930 3.757 3.516 3.928     .  0 0 "[    .    1    .    2]" 1 
        536 1  30 THR HA   1  54 LYS QE   . . 3.570 2.360 2.114 2.725     .  0 0 "[    .    1    .    2]" 1 
        537 1  30 THR HA   1  54 LYS HG2  . . 4.230 3.588 3.252 3.769     .  0 0 "[    .    1    .    2]" 1 
        538 1  30 THR HA   1  54 LYS HG3  . . 3.850 2.501 2.246 2.801     .  0 0 "[    .    1    .    2]" 1 
        539 1  30 THR HB   1  32 ARG H    . . 4.420 3.262 2.703 3.860     .  0 0 "[    .    1    .    2]" 1 
        540 1  30 THR HB   1  32 ARG HB2  . . 4.570 4.072 3.624 4.293     .  0 0 "[    .    1    .    2]" 1 
        541 1  30 THR HB   1  32 ARG QD   . . 5.340 4.551 4.017 4.933     .  0 0 "[    .    1    .    2]" 1 
        542 1  30 THR HB   1  32 ARG QG   . . 3.510 2.648 2.203 2.931     .  0 0 "[    .    1    .    2]" 1 
        543 1  30 THR HB   1  47 ILE MG   . . 4.320 3.588 3.188 4.092     .  0 0 "[    .    1    .    2]" 1 
        544 1  30 THR HB   1  51 PHE QD   . . 5.500 4.947 4.711 5.304     .  0 0 "[    .    1    .    2]" 1 
        545 1  30 THR HG1  1  30 THR MG   . . 3.280 2.282 1.961 2.542     .  0 0 "[    .    1    .    2]" 1 
        546 1  30 THR HG1  1  31 GLY H    . . 3.690 2.337 1.931 3.483     .  0 0 "[    .    1    .    2]" 1 
        547 1  30 THR HG1  1  47 ILE MG   . . 4.410 3.411 3.143 3.810     .  0 0 "[    .    1    .    2]" 1 
        548 1  30 THR HG1  1  54 LYS HG3  . . 5.350 5.193 4.917 5.348     .  0 0 "[    .    1    .    2]" 1 
        549 1  30 THR MG   1  31 GLY H    . . 4.190 3.829 3.705 4.185     .  0 0 "[    .    1    .    2]" 1 
        550 1  30 THR MG   1  32 ARG H    . . 4.670 4.295 4.140 4.581     .  0 0 "[    .    1    .    2]" 1 
        551 1  30 THR MG   1  32 ARG QG   . . 3.900 3.782 3.522 3.905 0.005  7 0 "[    .    1    .    2]" 1 
        552 1  30 THR MG   1  47 ILE HA   . . 3.620 3.473 3.205 3.613     .  0 0 "[    .    1    .    2]" 1 
        553 1  30 THR MG   1  47 ILE MD   . . 5.500 4.961 4.724 5.159     .  0 0 "[    .    1    .    2]" 1 
        554 1  30 THR MG   1  47 ILE MG   . . 3.330 2.650 2.292 2.912     .  0 0 "[    .    1    .    2]" 1 
        555 1  30 THR MG   1  50 GLU HB2  . . 3.610 2.715 2.386 3.096     .  0 0 "[    .    1    .    2]" 1 
        556 1  30 THR MG   1  50 GLU HB3  . . 3.750 2.561 2.130 2.906     .  0 0 "[    .    1    .    2]" 1 
        557 1  30 THR MG   1  51 PHE H    . . 3.580 2.975 2.736 3.341     .  0 0 "[    .    1    .    2]" 1 
        558 1  30 THR MG   1  51 PHE HA   . . 3.130 2.075 1.888 2.278     .  0 0 "[    .    1    .    2]" 1 
        559 1  30 THR MG   1  51 PHE HB2  . . 3.310 2.784 2.539 3.025     .  0 0 "[    .    1    .    2]" 1 
        560 1  30 THR MG   1  51 PHE HB3  . . 4.140 3.957 3.716 4.102     .  0 0 "[    .    1    .    2]" 1 
        561 1  30 THR MG   1  51 PHE QD   . . 3.340 2.048 1.951 2.334     .  0 0 "[    .    1    .    2]" 1 
        562 1  30 THR MG   1  51 PHE QE   . . 4.680 3.846 3.595 4.174     .  0 0 "[    .    1    .    2]" 1 
        563 1  30 THR MG   1  54 LYS HG2  . . 3.870 3.107 2.677 3.700     .  0 0 "[    .    1    .    2]" 1 
        564 1  30 THR MG   1  55 LEU MD2  . . 5.500 5.281 5.056 5.471     .  0 0 "[    .    1    .    2]" 1 
        565 1  31 GLY H    1  32 ARG H    . . 3.180 2.149 1.937 2.859     .  0 0 "[    .    1    .    2]" 1 
        566 1  31 GLY H    1  32 ARG QG   . . 4.540 3.879 3.625 4.415     .  0 0 "[    .    1    .    2]" 1 
        567 1  31 GLY QA   1  32 ARG H    . . 3.040 2.877 2.784 2.920     .  0 0 "[    .    1    .    2]" 1 
        568 1  32 ARG H    1  32 ARG HB2  . . 3.060 2.585 2.408 2.689     .  0 0 "[    .    1    .    2]" 1 
        569 1  32 ARG H    1  32 ARG QD   . . 4.850 3.829 2.911 4.662     .  0 0 "[    .    1    .    2]" 1 
        570 1  32 ARG H    1  32 ARG QG   . . 3.120 2.364 1.915 2.809     .  0 0 "[    .    1    .    2]" 1 
        571 1  32 ARG H    1  33 ARG H    . . 4.620 4.489 4.202 4.608     .  0 0 "[    .    1    .    2]" 1 
        572 1  32 ARG H    1  47 ILE MD   . . 4.840 4.659 4.278 4.844 0.004 14 0 "[    .    1    .    2]" 1 
        573 1  32 ARG H    1  47 ILE MG   . . 4.750 4.247 3.924 4.471     .  0 0 "[    .    1    .    2]" 1 
        574 1  32 ARG HA   1  32 ARG HD2  . . 4.020 3.217 1.987 4.020 0.000 14 0 "[    .    1    .    2]" 1 
        575 1  32 ARG HA   1  32 ARG QD   . . 3.490 2.395 1.977 3.424     .  0 0 "[    .    1    .    2]" 1 
        576 1  32 ARG HA   1  32 ARG HD3  . . 4.020 2.762 2.039 3.990     .  0 0 "[    .    1    .    2]" 1 
        577 1  32 ARG HA   1  32 ARG QG   . . 3.650 2.925 2.619 3.179     .  0 0 "[    .    1    .    2]" 1 
        578 1  32 ARG HA   1  33 ARG H    . . 2.820 2.209 2.140 2.473     .  0 0 "[    .    1    .    2]" 1 
        579 1  32 ARG HB2  1  33 ARG H    . . 4.380 4.014 3.490 4.380     .  0 0 "[    .    1    .    2]" 1 
        580 1  32 ARG HB2  1  47 ILE MD   . . 4.240 2.457 2.107 2.771     .  0 0 "[    .    1    .    2]" 1 
        581 1  32 ARG HB2  1  47 ILE MG   . . 3.690 2.977 2.624 3.224     .  0 0 "[    .    1    .    2]" 1 
        582 1  32 ARG HB3  1  33 ARG H    . . 4.200 3.115 2.277 3.706     .  0 0 "[    .    1    .    2]" 1 
        583 1  32 ARG HB3  1  47 ILE MD   . . 4.240 2.723 2.520 3.085     .  0 0 "[    .    1    .    2]" 1 
        584 1  32 ARG QD   1  33 ARG H    . . 4.280 3.863 3.431 4.274     .  0 0 "[    .    1    .    2]" 1 
        585 1  32 ARG QD   1  47 ILE MD   . . 4.740 4.257 3.571 4.672     .  0 0 "[    .    1    .    2]" 1 
        586 1  32 ARG QD   1  47 ILE HG12 . . 4.210 3.781 2.837 4.210     .  0 0 "[    .    1    .    2]" 1 
        587 1  32 ARG QG   1  47 ILE HA   . . 4.150 3.055 2.652 3.265     .  0 0 "[    .    1    .    2]" 1 
        588 1  32 ARG QG   1  47 ILE MD   . . 3.990 3.457 3.208 3.616     .  0 0 "[    .    1    .    2]" 1 
        589 1  32 ARG QG   1  47 ILE HG12 . . 3.880 2.205 1.992 2.379     .  0 0 "[    .    1    .    2]" 1 
        590 1  32 ARG QG   1  47 ILE MG   . . 4.320 3.305 2.977 3.694     .  0 0 "[    .    1    .    2]" 1 
        591 1  33 ARG H    1  33 ARG HB2  . . 2.880 2.262 2.179 2.449     .  0 0 "[    .    1    .    2]" 1 
        592 1  33 ARG H    1  33 ARG HB3  . . 4.040 3.540 3.481 3.663     .  0 0 "[    .    1    .    2]" 1 
        593 1  33 ARG H    1  33 ARG QD   . . 4.470 4.292 4.205 4.414     .  0 0 "[    .    1    .    2]" 1 
        594 1  33 ARG H    1  33 ARG HG2  . . 3.100 2.963 2.699 3.099     .  0 0 "[    .    1    .    2]" 1 
        595 1  33 ARG H    1  33 ARG HG3  . . 4.060 3.776 3.563 3.913     .  0 0 "[    .    1    .    2]" 1 
        596 1  33 ARG H    1  34 ILE H    . . 4.570 4.159 3.868 4.460     .  0 0 "[    .    1    .    2]" 1 
        597 1  33 ARG H    1  47 ILE MD   . . 4.860 4.605 3.887 4.864 0.004 17 0 "[    .    1    .    2]" 1 
        598 1  33 ARG HA   1  33 ARG QD   . . 3.310 2.317 2.132 2.472     .  0 0 "[    .    1    .    2]" 1 
        599 1  33 ARG HA   1  33 ARG HG2  . . 4.060 2.548 2.439 2.659     .  0 0 "[    .    1    .    2]" 1 
        600 1  33 ARG HA   1  33 ARG HG3  . . 4.170 3.670 3.626 3.752     .  0 0 "[    .    1    .    2]" 1 
        601 1  33 ARG HA   1  34 ILE H    . . 3.120 2.224 2.140 2.350     .  0 0 "[    .    1    .    2]" 1 
        602 1  33 ARG HA   1  34 ILE HB   . . 4.750 4.534 4.440 4.650     .  0 0 "[    .    1    .    2]" 1 
        603 1  33 ARG HA   1  34 ILE MD   . . 5.450 4.994 3.237 5.325     .  0 0 "[    .    1    .    2]" 1 
        604 1  33 ARG HA   1  35 GLY H    . . 4.100 3.744 3.371 4.059     .  0 0 "[    .    1    .    2]" 1 
        605 1  33 ARG HA   1  47 ILE MD   . . 5.500 5.059 4.745 5.394     .  0 0 "[    .    1    .    2]" 1 
        606 1  33 ARG HB3  1  34 ILE H    . . 4.760 3.940 3.598 4.164     .  0 0 "[    .    1    .    2]" 1 
        607 1  33 ARG QD   1  34 ILE H    . . 4.370 3.891 3.257 4.241     .  0 0 "[    .    1    .    2]" 1 
        608 1  33 ARG HG2  1  34 ILE H    . . 4.820 4.751 4.506 4.832 0.012  5 0 "[    .    1    .    2]" 1 
        609 1  34 ILE H    1  34 ILE HB   . . 3.080 2.530 2.385 2.618     .  0 0 "[    .    1    .    2]" 1 
        610 1  34 ILE H    1  34 ILE MD   . . 3.610 3.358 1.860 3.609     .  0 0 "[    .    1    .    2]" 1 
        611 1  34 ILE H    1  34 ILE HG12 . . 4.650 3.505 3.192 3.896     .  0 0 "[    .    1    .    2]" 1 
        612 1  34 ILE H    1  34 ILE QG   . . 3.870 2.141 1.916 2.951     .  0 0 "[    .    1    .    2]" 1 
        613 1  34 ILE H    1  34 ILE HG13 . . 4.650 2.163 1.928 3.056     .  0 0 "[    .    1    .    2]" 1 
        614 1  34 ILE H    1  34 ILE MG   . . 4.290 3.762 3.732 3.777     .  0 0 "[    .    1    .    2]" 1 
        615 1  34 ILE H    1  35 GLY H    . . 3.450 2.833 2.581 3.043     .  0 0 "[    .    1    .    2]" 1 
        616 1  34 ILE HA   1  34 ILE MD   . . 4.090 3.813 3.334 3.881     .  0 0 "[    .    1    .    2]" 1 
        617 1  34 ILE HA   1  34 ILE HG12 . . 4.210 2.635 2.467 3.479     .  0 0 "[    .    1    .    2]" 1 
        618 1  34 ILE HA   1  34 ILE QG   . . 3.700 2.385 2.244 2.468     .  0 0 "[    .    1    .    2]" 1 
        619 1  34 ILE HA   1  34 ILE HG13 . . 4.210 2.803 2.273 3.069     .  0 0 "[    .    1    .    2]" 1 
        620 1  34 ILE HA   1  34 ILE MG   . . 2.980 2.429 2.337 2.499     .  0 0 "[    .    1    .    2]" 1 
        621 1  34 ILE HA   1  42 LEU MD2  . . 4.830 4.218 3.771 4.549     .  0 0 "[    .    1    .    2]" 1 
        622 1  34 ILE HA   1  47 ILE MD   . . 3.250 2.848 2.579 3.090     .  0 0 "[    .    1    .    2]" 1 
        623 1  34 ILE HA   1  47 ILE MG   . . 5.020 4.754 4.336 5.010     .  0 0 "[    .    1    .    2]" 1 
        624 1  34 ILE HB   1  34 ILE MD   . . 3.370 2.298 2.126 2.406     .  0 0 "[    .    1    .    2]" 1 
        625 1  34 ILE HB   1  35 GLY H    . . 3.440 2.581 2.294 2.925     .  0 0 "[    .    1    .    2]" 1 
        626 1  34 ILE HB   1  35 GLY QA   . . 5.000 4.257 4.122 4.442     .  0 0 "[    .    1    .    2]" 1 
        627 1  34 ILE MD   1  38 PHE QD   . . 4.120 3.349 2.894 4.110     .  0 0 "[    .    1    .    2]" 1 
        628 1  34 ILE MD   1  38 PHE QE   . . 3.740 3.277 2.784 3.659     .  0 0 "[    .    1    .    2]" 1 
        629 1  34 ILE MD   1  42 LEU MD1  . . 4.390 2.864 2.287 3.704     .  0 0 "[    .    1    .    2]" 1 
        630 1  34 ILE MD   1  42 LEU MD2  . . 3.120 2.505 2.054 2.930     .  0 0 "[    .    1    .    2]" 1 
        631 1  34 ILE QG   1  34 ILE MG   . . 3.320 2.229 2.086 2.344     .  0 0 "[    .    1    .    2]" 1 
        632 1  34 ILE MG   1  35 GLY H    . . 3.650 3.313 3.025 3.555     .  0 0 "[    .    1    .    2]" 1 
        633 1  34 ILE MG   1  38 PHE HA   . . 3.150 2.057 1.870 2.290     .  0 0 "[    .    1    .    2]" 1 
        634 1  34 ILE MG   1  38 PHE QB   . . 4.440 3.499 3.294 3.817     .  0 0 "[    .    1    .    2]" 1 
        635 1  34 ILE MG   1  38 PHE QD   . . 3.910 3.113 2.117 3.616     .  0 0 "[    .    1    .    2]" 1 
        636 1  34 ILE MG   1  38 PHE QE   . . 4.680 4.167 3.386 4.658     .  0 0 "[    .    1    .    2]" 1 
        637 1  34 ILE MG   1  39 MET H    . . 5.050 4.751 4.497 4.980     .  0 0 "[    .    1    .    2]" 1 
        638 1  34 ILE MG   1  41 GLY H    . . 3.720 3.479 3.192 3.713     .  0 0 "[    .    1    .    2]" 1 
        639 1  34 ILE MG   1  41 GLY QA   . . 3.180 2.138 1.961 2.480     .  0 0 "[    .    1    .    2]" 1 
        640 1  34 ILE MG   1  42 LEU H    . . 3.930 3.496 3.108 3.897     .  0 0 "[    .    1    .    2]" 1 
        641 1  34 ILE MG   1  42 LEU MD1  . . 4.190 3.450 3.112 4.193 0.003  6 0 "[    .    1    .    2]" 1 
        642 1  34 ILE MG   1  42 LEU MD2  . . 3.700 3.193 2.674 3.639     .  0 0 "[    .    1    .    2]" 1 
        643 1  34 ILE MG   1  42 LEU HG   . . 3.670 2.609 2.173 3.254     .  0 0 "[    .    1    .    2]" 1 
        644 1  35 GLY H    1  36 ASN H    . . 4.810 4.462 4.138 4.545     .  0 0 "[    .    1    .    2]" 1 
        645 1  35 GLY H    1  41 GLY QA   . . 5.500 5.214 4.878 5.501 0.001  6 0 "[    .    1    .    2]" 1 
        646 1  36 ASN QB   1  37 ASN H    . . 3.860 2.143 1.924 2.986     .  0 0 "[    .    1    .    2]" 1 
        647 1  37 ASN H    1  37 ASN HB2  . . 3.680 2.536 2.175 2.892     .  0 0 "[    .    1    .    2]" 1 
        648 1  37 ASN H    1  37 ASN QB   . . 3.230 2.479 2.154 2.767     .  0 0 "[    .    1    .    2]" 1 
        649 1  37 ASN H    1  37 ASN HB3  . . 3.680 3.566 3.484 3.618     .  0 0 "[    .    1    .    2]" 1 
        650 1  37 ASN QB   1  37 ASN QD   . . 3.020 2.159 2.064 2.326     .  0 0 "[    .    1    .    2]" 1 
        651 1  37 ASN QB   1  40 ASP H    . . 4.360 2.781 2.464 3.565     .  0 0 "[    .    1    .    2]" 1 
        652 1  37 ASN QB   1  40 ASP QB   . . 3.150 2.028 1.792 3.155 0.005  6 0 "[    .    1    .    2]" 1 
        653 1  37 ASN QB   1  41 GLY H    . . 4.500 2.858 2.514 3.540     .  0 0 "[    .    1    .    2]" 1 
        654 1  38 PHE H    1  38 PHE QB   . . 3.410 2.268 2.239 2.541     .  0 0 "[    .    1    .    2]" 1 
        655 1  38 PHE H    1  38 PHE QD   . . 4.490 4.167 4.104 4.200     .  0 0 "[    .    1    .    2]" 1 
        656 1  38 PHE H    1  39 MET H    . . 4.050 2.683 1.944 2.977     .  0 0 "[    .    1    .    2]" 1 
        657 1  38 PHE HA   1  38 PHE QD   . . 3.860 3.010 2.627 3.207     .  0 0 "[    .    1    .    2]" 1 
        658 1  38 PHE HA   1  41 GLY H    . . 4.380 3.976 3.689 4.315     .  0 0 "[    .    1    .    2]" 1 
        659 1  38 PHE QB   1  39 MET H    . . 3.230 2.469 1.924 2.927     .  0 0 "[    .    1    .    2]" 1 
        660 1  38 PHE QB   1  39 MET HG2  . . 4.580 3.524 3.131 3.845     .  0 0 "[    .    1    .    2]" 1 
        661 1  38 PHE QD   1  39 MET H    . . 3.730 3.062 2.579 3.691     .  0 0 "[    .    1    .    2]" 1 
        662 1  38 PHE QD   1  39 MET HA   . . 4.200 2.905 2.493 3.332     .  0 0 "[    .    1    .    2]" 1 
        663 1  38 PHE QD   1  39 MET QB   . . 5.340 4.147 3.820 4.587     .  0 0 "[    .    1    .    2]" 1 
        664 1  38 PHE QD   1  39 MET ME   . . 3.420 2.263 1.975 3.180     .  0 0 "[    .    1    .    2]" 1 
        665 1  38 PHE QD   1  39 MET HG2  . . 3.990 2.805 2.307 3.948     .  0 0 "[    .    1    .    2]" 1 
        666 1  38 PHE QD   1  39 MET HG3  . . 4.900 4.467 4.035 4.849     .  0 0 "[    .    1    .    2]" 1 
        667 1  38 PHE QD   1  42 LEU MD1  . . 4.420 3.202 2.723 3.551     .  0 0 "[    .    1    .    2]" 1 
        668 1  38 PHE QE   1  39 MET ME   . . 3.360 2.385 1.941 3.361 0.001 16 0 "[    .    1    .    2]" 1 
        669 1  38 PHE QE   1  42 LEU MD1  . . 3.750 2.443 1.948 2.810     .  0 0 "[    .    1    .    2]" 1 
        670 1  38 PHE QE   1  99 LEU MD1  . . 4.680 4.442 3.853 4.673     .  0 0 "[    .    1    .    2]" 1 
        671 1  38 PHE QE   1 108 VAL MG1  . . 4.490 3.336 2.864 3.809     .  0 0 "[    .    1    .    2]" 1 
        672 1  38 PHE QE   1 112 LEU MD1  . . 3.710 2.886 2.484 3.132     .  0 0 "[    .    1    .    2]" 1 
        673 1  38 PHE HZ   1  42 LEU MD1  . . 4.310 2.645 2.238 2.955     .  0 0 "[    .    1    .    2]" 1 
        674 1  38 PHE HZ   1 112 LEU MD1  . . 3.620 2.151 1.900 2.505     .  0 0 "[    .    1    .    2]" 1 
        675 1  39 MET H    1  39 MET HB2  . . 3.660 2.332 2.195 2.649     .  0 0 "[    .    1    .    2]" 1 
        676 1  39 MET H    1  39 MET QB   . . 2.980 2.302 2.174 2.583     .  0 0 "[    .    1    .    2]" 1 
        677 1  39 MET H    1  39 MET HB3  . . 3.660 3.557 3.500 3.602     .  0 0 "[    .    1    .    2]" 1 
        678 1  39 MET H    1  39 MET ME   . . 4.590 3.952 3.555 4.292     .  0 0 "[    .    1    .    2]" 1 
        679 1  39 MET H    1  39 MET HG2  . . 3.330 2.596 2.154 2.853     .  0 0 "[    .    1    .    2]" 1 
        680 1  39 MET H    1  39 MET HG3  . . 4.130 3.703 3.309 3.970     .  0 0 "[    .    1    .    2]" 1 
        681 1  39 MET H    1  40 ASP H    . . 3.330 2.902 2.512 3.202     .  0 0 "[    .    1    .    2]" 1 
        682 1  39 MET H    1  41 GLY H    . . 4.730 4.122 3.645 4.451     .  0 0 "[    .    1    .    2]" 1 
        683 1  39 MET HA   1  39 MET ME   . . 4.130 2.786 2.214 3.142     .  0 0 "[    .    1    .    2]" 1 
        684 1  39 MET HA   1  39 MET HG2  . . 4.160 2.755 2.562 3.478     .  0 0 "[    .    1    .    2]" 1 
        685 1  39 MET HA   1  42 LEU H    . . 4.350 3.613 3.374 3.932     .  0 0 "[    .    1    .    2]" 1 
        686 1  39 MET HA   1  42 LEU HB2  . . 4.620 3.172 2.749 3.606     .  0 0 "[    .    1    .    2]" 1 
        687 1  39 MET HA   1  42 LEU HB3  . . 5.310 4.826 4.342 5.280     .  0 0 "[    .    1    .    2]" 1 
        688 1  39 MET HA   1  42 LEU MD1  . . 4.060 3.690 3.472 4.049     .  0 0 "[    .    1    .    2]" 1 
        689 1  39 MET HA   1  43 LYS H    . . 4.720 4.304 4.089 4.523     .  0 0 "[    .    1    .    2]" 1 
        690 1  39 MET HA   1  99 LEU MD1  . . 4.040 3.381 2.827 3.720     .  0 0 "[    .    1    .    2]" 1 
        691 1  39 MET QB   1  39 MET ME   . . 4.090 3.507 2.291 3.681     .  0 0 "[    .    1    .    2]" 1 
        692 1  39 MET QB   1  40 ASP H    . . 3.780 2.222 1.990 2.573     .  0 0 "[    .    1    .    2]" 1 
        693 1  39 MET QB   1 105 HIS HE1  . . 5.140 4.110 3.660 4.765     .  0 0 "[    .    1    .    2]" 1 
        694 1  39 MET HB2  1  40 ASP H    . . 4.620 2.305 2.008 2.647     .  0 0 "[    .    1    .    2]" 1 
        695 1  39 MET HB3  1  40 ASP H    . . 4.620 2.963 2.632 3.505     .  0 0 "[    .    1    .    2]" 1 
        696 1  39 MET ME   1  39 MET HG2  . . 3.340 2.209 1.986 3.361 0.021 16 0 "[    .    1    .    2]" 1 
        697 1  39 MET ME   1  39 MET HG3  . . 3.290 2.991 2.325 3.170     .  0 0 "[    .    1    .    2]" 1 
        698 1  39 MET ME   1  42 LEU MD1  . . 4.340 3.535 3.056 4.072     .  0 0 "[    .    1    .    2]" 1 
        699 1  39 MET ME   1  99 LEU MD1  . . 3.700 3.211 2.674 3.573     .  0 0 "[    .    1    .    2]" 1 
        700 1  39 MET ME   1 105 HIS HA   . . 3.520 2.490 2.127 2.914     .  0 0 "[    .    1    .    2]" 1 
        701 1  39 MET ME   1 105 HIS QB   . . 3.380 2.436 1.987 2.740     .  0 0 "[    .    1    .    2]" 1 
        702 1  39 MET ME   1 108 VAL H    . . 4.330 4.103 3.853 4.311     .  0 0 "[    .    1    .    2]" 1 
        703 1  39 MET ME   1 108 VAL MG1  . . 3.110 2.700 2.337 3.037     .  0 0 "[    .    1    .    2]" 1 
        704 1  39 MET ME   1 109 GLN H    . . 3.770 3.509 3.086 3.766     .  0 0 "[    .    1    .    2]" 1 
        705 1  39 MET ME   1 109 GLN HA   . . 4.560 4.208 3.745 4.543     .  0 0 "[    .    1    .    2]" 1 
        706 1  39 MET ME   1 112 LEU MD1  . . 4.260 4.097 3.786 4.252     .  0 0 "[    .    1    .    2]" 1 
        707 1  39 MET HG2  1 105 HIS QB   . . 4.940 3.848 3.331 4.245     .  0 0 "[    .    1    .    2]" 1 
        708 1  39 MET HG2  1 105 HIS HE1  . . 5.430 4.775 4.311 5.347     .  0 0 "[    .    1    .    2]" 1 
        709 1  39 MET HG3  1 105 HIS QB   . . 4.160 3.507 2.716 3.896     .  0 0 "[    .    1    .    2]" 1 
        710 1  39 MET HG3  1 105 HIS HE1  . . 4.820 3.249 2.832 4.049     .  0 0 "[    .    1    .    2]" 1 
        711 1  40 ASP H    1  40 ASP HB2  . . 3.570 2.586 2.273 3.480     .  0 0 "[    .    1    .    2]" 1 
        712 1  40 ASP H    1  40 ASP HB3  . . 3.570 2.866 2.173 3.592 0.022  7 0 "[    .    1    .    2]" 1 
        713 1  40 ASP H    1  41 GLY H    . . 3.270 2.880 2.689 3.076     .  0 0 "[    .    1    .    2]" 1 
        714 1  40 ASP H    1  42 LEU H    . . 4.380 4.192 3.980 4.327     .  0 0 "[    .    1    .    2]" 1 
        715 1  40 ASP HA   1  42 LEU H    . . 4.610 4.090 3.793 4.429     .  0 0 "[    .    1    .    2]" 1 
        716 1  40 ASP HA   1  43 LYS H    . . 3.970 3.087 2.852 3.321     .  0 0 "[    .    1    .    2]" 1 
        717 1  40 ASP HA   1  43 LYS HB2  . . 4.290 2.174 2.022 2.365     .  0 0 "[    .    1    .    2]" 1 
        718 1  40 ASP HA   1  43 LYS QB   . . 3.580 2.074 1.907 2.226     .  0 0 "[    .    1    .    2]" 1 
        719 1  40 ASP HA   1  43 LYS HB3  . . 4.290 2.671 2.335 3.054     .  0 0 "[    .    1    .    2]" 1 
        720 1  40 ASP HA   1  43 LYS QD   . . 3.910 3.238 2.834 3.723     .  0 0 "[    .    1    .    2]" 1 
        721 1  40 ASP HA   1  43 LYS QE   . . 3.810 3.308 2.527 3.810     .  0 0 "[    .    1    .    2]" 1 
        722 1  40 ASP HA   1  43 LYS HG2  . . 4.920 4.747 4.470 4.919     .  0 0 "[    .    1    .    2]" 1 
        723 1  40 ASP HA   1  43 LYS HG3  . . 4.920 4.182 3.952 4.439     .  0 0 "[    .    1    .    2]" 1 
        724 1  40 ASP QB   1  41 GLY H    . . 3.410 2.524 2.222 3.159     .  0 0 "[    .    1    .    2]" 1 
        725 1  40 ASP QB   1  43 LYS H    . . 5.340 4.579 4.260 4.794     .  0 0 "[    .    1    .    2]" 1 
        726 1  40 ASP HB2  1  41 GLY H    . . 4.110 3.416 2.254 4.057     .  0 0 "[    .    1    .    2]" 1 
        727 1  40 ASP HB3  1  41 GLY H    . . 4.110 2.893 2.242 3.907     .  0 0 "[    .    1    .    2]" 1 
        728 1  41 GLY H    1  41 GLY QA   . . 2.800 2.194 2.188 2.204     .  0 0 "[    .    1    .    2]" 1 
        729 1  41 GLY H    1  42 LEU H    . . 3.280 2.770 2.649 2.903     .  0 0 "[    .    1    .    2]" 1 
        730 1  41 GLY H    1  42 LEU HG   . . 5.230 4.880 4.467 5.087     .  0 0 "[    .    1    .    2]" 1 
        731 1  41 GLY H    1  43 LYS H    . . 4.270 3.881 3.701 4.017     .  0 0 "[    .    1    .    2]" 1 
        732 1  41 GLY QA   1  42 LEU H    . . 3.330 2.782 2.721 2.854     .  0 0 "[    .    1    .    2]" 1 
        733 1  41 GLY QA   1  42 LEU MD2  . . 4.660 4.211 3.631 4.590     .  0 0 "[    .    1    .    2]" 1 
        734 1  41 GLY QA   1  43 LYS H    . . 5.000 3.848 3.725 3.984     .  0 0 "[    .    1    .    2]" 1 
        735 1  42 LEU H    1  42 LEU HB2  . . 4.050 2.392 2.301 2.497     .  0 0 "[    .    1    .    2]" 1 
        736 1  42 LEU H    1  42 LEU HB3  . . 3.700 3.622 3.571 3.664     .  0 0 "[    .    1    .    2]" 1 
        737 1  42 LEU H    1  42 LEU MD1  . . 4.000 3.859 3.680 4.004 0.004  6 0 "[    .    1    .    2]" 1 
        738 1  42 LEU H    1  42 LEU MD2  . . 3.910 3.771 3.294 3.904     .  0 0 "[    .    1    .    2]" 1 
        739 1  42 LEU H    1  42 LEU HG   . . 3.070 2.859 2.646 3.012     .  0 0 "[    .    1    .    2]" 1 
        740 1  42 LEU H    1  43 LYS HA   . . 4.770 4.681 4.578 4.770 0.000  3 0 "[    .    1    .    2]" 1 
        741 1  42 LEU H    1  43 LYS QB   . . 4.530 3.941 3.806 4.083     .  0 0 "[    .    1    .    2]" 1 
        742 1  42 LEU HA   1  42 LEU MD2  . . 3.430 2.051 1.971 2.232     .  0 0 "[    .    1    .    2]" 1 
        743 1  42 LEU HB2  1  42 LEU MD1  . . 3.550 2.285 2.158 2.397     .  0 0 "[    .    1    .    2]" 1 
        744 1  42 LEU HB2  1  43 LYS H    . . 3.370 3.238 3.057 3.345     .  0 0 "[    .    1    .    2]" 1 
        745 1  42 LEU HB2  1  99 LEU MD1  . . 4.200 2.842 2.061 3.259     .  0 0 "[    .    1    .    2]" 1 
        746 1  42 LEU HB2  1  99 LEU MD2  . . 4.010 3.733 3.362 3.961     .  0 0 "[    .    1    .    2]" 1 
        747 1  42 LEU HB3  1  42 LEU MD1  . . 3.540 2.410 2.281 2.518     .  0 0 "[    .    1    .    2]" 1 
        748 1  42 LEU HB3  1  43 LYS H    . . 4.330 4.016 3.924 4.145     .  0 0 "[    .    1    .    2]" 1 
        749 1  42 LEU HB3  1  48 LEU MD2  . . 3.740 2.015 1.907 2.268     .  0 0 "[    .    1    .    2]" 1 
        750 1  42 LEU HB3  1  99 LEU MD1  . . 4.640 2.954 2.164 3.613     .  0 0 "[    .    1    .    2]" 1 
        751 1  42 LEU HB3  1  99 LEU MD2  . . 4.870 2.781 2.349 3.177     .  0 0 "[    .    1    .    2]" 1 
        752 1  42 LEU MD1  1  48 LEU MD1  . . 3.320 3.156 2.838 3.317     .  0 0 "[    .    1    .    2]" 1 
        753 1  42 LEU MD1  1  99 LEU MD1  . . 4.140 3.339 2.917 3.808     .  0 0 "[    .    1    .    2]" 1 
        754 1  42 LEU MD1  1  99 LEU MD2  . . 4.490 3.974 3.666 4.264     .  0 0 "[    .    1    .    2]" 1 
        755 1  42 LEU MD1  1 108 VAL MG1  . . 4.160 3.386 2.741 3.927     .  0 0 "[    .    1    .    2]" 1 
        756 1  42 LEU MD1  1 112 LEU MD1  . . 3.580 2.724 2.350 2.973     .  0 0 "[    .    1    .    2]" 1 
        757 1  42 LEU MD1  1 112 LEU MD2  . . 4.320 3.458 2.905 3.786     .  0 0 "[    .    1    .    2]" 1 
        758 1  42 LEU MD2  1 112 LEU MD1  . . 4.390 4.235 3.911 4.392 0.002 15 0 "[    .    1    .    2]" 1 
        759 1  43 LYS H    1  43 LYS HB2  . . 3.350 2.435 2.320 2.532     .  0 0 "[    .    1    .    2]" 1 
        760 1  43 LYS H    1  43 LYS QB   . . 2.870 2.236 2.202 2.256     .  0 0 "[    .    1    .    2]" 1 
        761 1  43 LYS H    1  43 LYS HB3  . . 3.350 2.620 2.515 2.743     .  0 0 "[    .    1    .    2]" 1 
        762 1  43 LYS H    1  43 LYS QD   . . 4.730 4.588 4.514 4.699     .  0 0 "[    .    1    .    2]" 1 
        763 1  43 LYS H    1  43 LYS HG2  . . 4.770 4.460 4.417 4.533     .  0 0 "[    .    1    .    2]" 1 
        764 1  43 LYS H    1  43 LYS QG   . . 4.120 3.954 3.909 3.976     .  0 0 "[    .    1    .    2]" 1 
        765 1  43 LYS H    1  43 LYS HG3  . . 4.770 4.419 4.317 4.511     .  0 0 "[    .    1    .    2]" 1 
        766 1  43 LYS H    1  44 ASP H    . . 3.570 2.853 2.708 3.004     .  0 0 "[    .    1    .    2]" 1 
        767 1  43 LYS H    1  44 ASP QB   . . 5.340 5.014 4.499 5.259     .  0 0 "[    .    1    .    2]" 1 
        768 1  43 LYS H    1  99 LEU MD1  . . 4.120 3.872 3.493 4.114     .  0 0 "[    .    1    .    2]" 1 
        769 1  43 LYS H    1  99 LEU MD2  . . 4.840 4.475 4.170 4.674     .  0 0 "[    .    1    .    2]" 1 
        770 1  43 LYS H    1  99 LEU HG   . . 5.080 4.373 4.025 4.703     .  0 0 "[    .    1    .    2]" 1 
        771 1  43 LYS HA   1  43 LYS HG2  . . 4.220 2.851 2.606 3.116     .  0 0 "[    .    1    .    2]" 1 
        772 1  43 LYS HA   1  43 LYS QG   . . 3.570 2.481 2.386 2.563     .  0 0 "[    .    1    .    2]" 1 
        773 1  43 LYS HA   1  43 LYS HG3  . . 4.220 2.756 2.481 2.917     .  0 0 "[    .    1    .    2]" 1 
        774 1  43 LYS HA   1  45 GLY H    . . 4.420 4.043 3.814 4.309     .  0 0 "[    .    1    .    2]" 1 
        775 1  43 LYS HA   1  76 ILE MD   . . 3.690 3.503 3.183 3.679     .  0 0 "[    .    1    .    2]" 1 
        776 1  43 LYS HA   1  99 LEU MD1  . . 3.570 3.092 2.602 3.543     .  0 0 "[    .    1    .    2]" 1 
        777 1  43 LYS HA   1  99 LEU MD2  . . 3.540 3.169 2.678 3.385     .  0 0 "[    .    1    .    2]" 1 
        778 1  43 LYS HA   1  99 LEU HG   . . 3.420 2.161 2.034 2.348     .  0 0 "[    .    1    .    2]" 1 
        779 1  43 LYS QB   1  44 ASP H    . . 3.700 2.442 2.231 2.601     .  0 0 "[    .    1    .    2]" 1 
        780 1  43 LYS QB   1  99 LEU MD1  . . 4.450 4.010 3.739 4.364     .  0 0 "[    .    1    .    2]" 1 
        781 1  43 LYS QB   1 100 PHE QD   . . 5.340 5.055 4.656 5.339     .  0 0 "[    .    1    .    2]" 1 
        782 1  43 LYS HB2  1  43 LYS QD   . . 3.860 2.721 2.365 3.081     .  0 0 "[    .    1    .    2]" 1 
        783 1  43 LYS HB2  1  44 ASP H    . . 4.300 3.782 3.619 3.877     .  0 0 "[    .    1    .    2]" 1 
        784 1  43 LYS HB3  1  43 LYS QD   . . 3.860 2.444 2.068 2.989     .  0 0 "[    .    1    .    2]" 1 
        785 1  43 LYS HB3  1  44 ASP H    . . 4.300 2.474 2.252 2.646     .  0 0 "[    .    1    .    2]" 1 
        786 1  43 LYS QD   1 100 PHE HA   . . 4.730 3.844 3.303 4.440     .  0 0 "[    .    1    .    2]" 1 
        787 1  43 LYS QE   1  43 LYS QG   . . 3.210 2.359 2.078 2.651     .  0 0 "[    .    1    .    2]" 1 
        788 1  43 LYS QG   1  44 ASP H    . . 4.670 3.664 3.321 3.945     .  0 0 "[    .    1    .    2]" 1 
        789 1  43 LYS QG   1  45 GLY H    . . 5.340 4.940 4.751 5.200     .  0 0 "[    .    1    .    2]" 1 
        790 1  43 LYS QG   1 100 PHE HA   . . 3.720 2.456 2.041 2.767     .  0 0 "[    .    1    .    2]" 1 
        791 1  43 LYS QG   1 100 PHE QD   . . 4.040 3.020 2.529 3.417     .  0 0 "[    .    1    .    2]" 1 
        792 1  43 LYS QG   1 100 PHE QE   . . 4.490 4.072 3.595 4.362     .  0 0 "[    .    1    .    2]" 1 
        793 1  43 LYS HG2  1  99 LEU MD1  . . 5.500 5.374 5.064 5.494     .  0 0 "[    .    1    .    2]" 1 
        794 1  43 LYS HG2  1  99 LEU MD2  . . 5.500 5.155 4.605 5.482     .  0 0 "[    .    1    .    2]" 1 
        795 1  43 LYS HG2  1 100 PHE HA   . . 4.460 2.849 2.192 3.549     .  0 0 "[    .    1    .    2]" 1 
        796 1  43 LYS HG2  1 100 PHE QD   . . 4.650 3.134 2.597 3.630     .  0 0 "[    .    1    .    2]" 1 
        797 1  43 LYS HG3  1  99 LEU MD1  . . 5.500 4.658 4.191 4.986     .  0 0 "[    .    1    .    2]" 1 
        798 1  43 LYS HG3  1  99 LEU MD2  . . 5.500 5.174 4.574 5.493     .  0 0 "[    .    1    .    2]" 1 
        799 1  43 LYS HG3  1 100 PHE HA   . . 4.460 2.723 2.432 3.162     .  0 0 "[    .    1    .    2]" 1 
        800 1  43 LYS HG3  1 100 PHE QD   . . 4.650 4.015 3.482 4.507     .  0 0 "[    .    1    .    2]" 1 
        801 1  44 ASP H    1  44 ASP HB2  . . 4.130 3.286 2.190 3.624     .  0 0 "[    .    1    .    2]" 1 
        802 1  44 ASP H    1  44 ASP QB   . . 3.520 2.602 2.140 2.876     .  0 0 "[    .    1    .    2]" 1 
        803 1  44 ASP H    1  44 ASP HB3  . . 4.130 2.962 2.647 3.614     .  0 0 "[    .    1    .    2]" 1 
        804 1  44 ASP H    1  45 GLY H    . . 3.480 3.006 2.893 3.096     .  0 0 "[    .    1    .    2]" 1 
        805 1  44 ASP HA   1  72 GLN QB   . . 4.050 3.382 2.966 3.900     .  0 0 "[    .    1    .    2]" 1 
        806 1  44 ASP HA   1  72 GLN HG2  . . 4.750 2.997 1.997 4.750     .  0 0 "[    .    1    .    2]" 1 
        807 1  44 ASP HA   1  72 GLN QG   . . 4.090 2.822 1.988 3.883     .  0 0 "[    .    1    .    2]" 1 
        808 1  44 ASP HA   1  72 GLN HG3  . . 4.750 4.096 2.909 4.631     .  0 0 "[    .    1    .    2]" 1 
        809 1  44 ASP HA   1  76 ILE MD   . . 4.950 4.712 4.313 4.940     .  0 0 "[    .    1    .    2]" 1 
        810 1  44 ASP HA   1 100 PHE QE   . . 4.960 4.769 4.145 4.960     .  0 0 "[    .    1    .    2]" 1 
        811 1  44 ASP QB   1  46 ILE H    . . 4.700 2.496 2.207 2.590     .  0 0 "[    .    1    .    2]" 1 
        812 1  44 ASP QB   1  46 ILE MD   . . 4.020 2.622 2.008 4.026 0.006 14 0 "[    .    1    .    2]" 1 
        813 1  44 ASP QB   1  46 ILE MG   . . 4.520 4.448 4.302 4.524 0.004  4 0 "[    .    1    .    2]" 1 
        814 1  44 ASP QB   1  72 GLN HA   . . 5.340 4.969 4.645 5.324     .  0 0 "[    .    1    .    2]" 1 
        815 1  44 ASP QB   1  72 GLN QE   . . 4.430 3.537 2.270 4.368     .  0 0 "[    .    1    .    2]" 1 
        816 1  44 ASP QB   1  72 GLN QG   . . 5.180 3.451 2.773 4.459     .  0 0 "[    .    1    .    2]" 1 
        817 1  44 ASP HB2  1  46 ILE MD   . . 4.600 2.974 2.028 4.590     .  0 0 "[    .    1    .    2]" 1 
        818 1  44 ASP HB3  1  46 ILE MD   . . 4.600 3.456 2.307 4.456     .  0 0 "[    .    1    .    2]" 1 
        819 1  45 GLY H    1  46 ILE H    . . 3.800 2.767 2.515 2.922     .  0 0 "[    .    1    .    2]" 1 
        820 1  45 GLY H    1  46 ILE HB   . . 4.830 4.781 4.615 4.841 0.011 12 0 "[    .    1    .    2]" 1 
        821 1  45 GLY H    1  48 LEU MD2  . . 4.700 3.086 2.919 3.293     .  0 0 "[    .    1    .    2]" 1 
        822 1  45 GLY H    1  76 ILE MD   . . 4.400 4.011 3.790 4.219     .  0 0 "[    .    1    .    2]" 1 
        823 1  45 GLY H    1  76 ILE QG   . . 4.650 3.932 3.730 4.065     .  0 0 "[    .    1    .    2]" 1 
        824 1  45 GLY H    1  99 LEU MD2  . . 4.340 3.704 3.539 3.999     .  0 0 "[    .    1    .    2]" 1 
        825 1  45 GLY H    1  99 LEU HG   . . 5.500 5.006 4.728 5.291     .  0 0 "[    .    1    .    2]" 1 
        826 1  45 GLY HA2  1  48 LEU H    . . 4.890 3.546 3.103 3.900     .  0 0 "[    .    1    .    2]" 1 
        827 1  45 GLY HA2  1  48 LEU MD2  . . 4.540 2.347 1.977 2.791     .  0 0 "[    .    1    .    2]" 1 
        828 1  45 GLY HA2  1  49 CYS H    . . 4.870 4.467 4.290 4.649     .  0 0 "[    .    1    .    2]" 1 
        829 1  45 GLY HA2  1  75 ASN HB3  . . 5.340 4.611 3.938 5.181     .  0 0 "[    .    1    .    2]" 1 
        830 1  45 GLY HA2  1  76 ILE H    . . 4.960 4.342 4.013 4.867     .  0 0 "[    .    1    .    2]" 1 
        831 1  45 GLY HA2  1  76 ILE MD   . . 4.540 3.206 2.964 3.527     .  0 0 "[    .    1    .    2]" 1 
        832 1  45 GLY HA2  1  76 ILE QG   . . 4.620 2.173 1.975 2.468     .  0 0 "[    .    1    .    2]" 1 
        833 1  45 GLY HA2  1  99 LEU HB3  . . 5.500 5.460 5.373 5.502 0.002 14 0 "[    .    1    .    2]" 1 
        834 1  45 GLY HA2  1  99 LEU MD2  . . 5.100 2.912 2.661 3.095     .  0 0 "[    .    1    .    2]" 1 
        835 1  45 GLY HA3  1  49 CYS H    . . 5.360 5.065 4.833 5.305     .  0 0 "[    .    1    .    2]" 1 
        836 1  45 GLY HA3  1  75 ASN HB2  . . 4.270 3.066 2.367 3.517     .  0 0 "[    .    1    .    2]" 1 
        837 1  45 GLY HA3  1  75 ASN HB3  . . 4.210 3.624 2.967 4.129     .  0 0 "[    .    1    .    2]" 1 
        838 1  45 GLY HA3  1  75 ASN QD   . . 4.540 3.921 3.089 4.486     .  0 0 "[    .    1    .    2]" 1 
        839 1  45 GLY HA3  1  76 ILE H    . . 4.170 3.177 2.960 3.501     .  0 0 "[    .    1    .    2]" 1 
        840 1  45 GLY HA3  1  76 ILE MD   . . 4.140 3.023 2.795 3.285     .  0 0 "[    .    1    .    2]" 1 
        841 1  45 GLY HA3  1  76 ILE QG   . . 3.790 1.986 1.828 2.189     .  0 0 "[    .    1    .    2]" 1 
        842 1  45 GLY HA3  1  99 LEU MD2  . . 4.360 3.974 3.580 4.239     .  0 0 "[    .    1    .    2]" 1 
        843 1  46 ILE H    1  46 ILE HB   . . 3.190 2.561 2.501 2.770     .  0 0 "[    .    1    .    2]" 1 
        844 1  46 ILE H    1  46 ILE MD   . . 3.590 3.245 1.872 3.596 0.006 12 0 "[    .    1    .    2]" 1 
        845 1  46 ILE H    1  46 ILE QG   . . 3.120 2.095 1.860 2.850     .  0 0 "[    .    1    .    2]" 1 
        846 1  46 ILE H    1  46 ILE MG   . . 3.900 3.763 3.739 3.785     .  0 0 "[    .    1    .    2]" 1 
        847 1  46 ILE H    1  47 ILE H    . . 3.790 2.803 2.519 3.005     .  0 0 "[    .    1    .    2]" 1 
        848 1  46 ILE H    1  47 ILE HG13 . . 5.410 4.484 4.254 4.645     .  0 0 "[    .    1    .    2]" 1 
        849 1  46 ILE H    1  63 ILE MG   . . 5.230 4.752 4.274 5.055     .  0 0 "[    .    1    .    2]" 1 
        850 1  46 ILE HA   1  46 ILE MD   . . 3.940 3.748 1.964 3.907     .  0 0 "[    .    1    .    2]" 1 
        851 1  46 ILE HA   1  46 ILE QG   . . 2.890 2.466 2.275 2.904 0.014 14 0 "[    .    1    .    2]" 1 
        852 1  46 ILE HA   1  46 ILE MG   . . 3.220 2.417 2.214 2.471     .  0 0 "[    .    1    .    2]" 1 
        853 1  46 ILE HA   1  49 CYS H    . . 3.900 3.699 3.431 3.898     .  0 0 "[    .    1    .    2]" 1 
        854 1  46 ILE HA   1  50 GLU QG   . . 4.880 4.516 3.880 4.903 0.023 12 0 "[    .    1    .    2]" 1 
        855 1  46 ILE HA   1  63 ILE MD   . . 4.380 4.032 3.428 4.335     .  0 0 "[    .    1    .    2]" 1 
        856 1  46 ILE HA   1  63 ILE MG   . . 3.310 2.605 2.177 2.928     .  0 0 "[    .    1    .    2]" 1 
        857 1  46 ILE HA   1  75 ASN QD   . . 4.750 3.225 2.605 3.967     .  0 0 "[    .    1    .    2]" 1 
        858 1  46 ILE HB   1  46 ILE MD   . . 3.400 2.315 2.123 3.218     .  0 0 "[    .    1    .    2]" 1 
        859 1  46 ILE HB   1  47 ILE H    . . 3.230 2.364 1.890 2.863     .  0 0 "[    .    1    .    2]" 1 
        860 1  46 ILE MD   1  47 ILE H    . . 4.570 4.195 3.716 4.608 0.038 14 0 "[    .    1    .    2]" 1 
        861 1  46 ILE MD   1  65 GLU HA   . . 3.340 2.231 1.959 2.550     .  0 0 "[    .    1    .    2]" 1 
        862 1  46 ILE MD   1  65 GLU HB2  . . 4.640 4.197 3.285 4.628     .  0 0 "[    .    1    .    2]" 1 
        863 1  46 ILE MD   1  65 GLU QB   . . 3.920 3.552 3.176 3.916     .  0 0 "[    .    1    .    2]" 1 
        864 1  46 ILE MD   1  65 GLU HB3  . . 4.640 4.039 3.357 4.614     .  0 0 "[    .    1    .    2]" 1 
        865 1  46 ILE MD   1  65 GLU HG2  . . 4.550 3.116 2.289 4.045     .  0 0 "[    .    1    .    2]" 1 
        866 1  46 ILE MD   1  65 GLU QG   . . 3.860 2.707 2.052 3.602     .  0 0 "[    .    1    .    2]" 1 
        867 1  46 ILE MD   1  65 GLU HG3  . . 4.550 3.476 2.071 4.518     .  0 0 "[    .    1    .    2]" 1 
        868 1  46 ILE MD   1  66 SER H    . . 4.320 3.195 2.190 3.885     .  0 0 "[    .    1    .    2]" 1 
        869 1  46 ILE MD   1  66 SER QB   . . 5.320 5.047 4.372 5.322 0.002 14 0 "[    .    1    .    2]" 1 
        870 1  46 ILE MD   1  75 ASN QD   . . 4.170 3.112 1.898 3.591     .  0 0 "[    .    1    .    2]" 1 
        871 1  46 ILE QG   1  65 GLU QG   . . 4.180 3.725 2.197 4.180     .  6 0 "[    .    1    .    2]" 1 
        872 1  46 ILE QG   1  75 ASN QD   . . 3.780 2.177 1.773 3.342     .  0 0 "[    .    1    .    2]" 1 
        873 1  46 ILE HG12 1  75 ASN QD   . . 4.350 2.476 1.871 3.576     .  0 0 "[    .    1    .    2]" 1 
        874 1  46 ILE HG13 1  75 ASN QD   . . 4.350 2.545 1.975 4.353 0.003 14 0 "[    .    1    .    2]" 1 
        875 1  46 ILE MG   1  47 ILE H    . . 3.810 3.265 2.859 3.598     .  0 0 "[    .    1    .    2]" 1 
        876 1  46 ILE MG   1  50 GLU HB2  . . 4.660 3.746 3.331 4.377     .  0 0 "[    .    1    .    2]" 1 
        877 1  46 ILE MG   1  50 GLU QG   . . 3.640 2.770 2.167 3.387     .  0 0 "[    .    1    .    2]" 1 
        878 1  47 ILE H    1  47 ILE HB   . . 3.360 2.547 2.426 2.697     .  0 0 "[    .    1    .    2]" 1 
        879 1  47 ILE H    1  47 ILE MD   . . 4.150 3.580 3.382 3.732     .  0 0 "[    .    1    .    2]" 1 
        880 1  47 ILE H    1  47 ILE HG12 . . 3.710 3.382 3.077 3.644     .  0 0 "[    .    1    .    2]" 1 
        881 1  47 ILE H    1  47 ILE HG13 . . 3.910 2.125 1.917 2.326     .  0 0 "[    .    1    .    2]" 1 
        882 1  47 ILE H    1  47 ILE MG   . . 4.060 3.764 3.744 3.788     .  0 0 "[    .    1    .    2]" 1 
        883 1  47 ILE H    1  48 LEU H    . . 3.890 2.857 2.453 3.199     .  0 0 "[    .    1    .    2]" 1 
        884 1  47 ILE H    1  50 GLU HB2  . . 5.310 5.041 4.444 5.279     .  0 0 "[    .    1    .    2]" 1 
        885 1  47 ILE HA   1  47 ILE HG12 . . 3.590 2.499 2.377 2.648     .  0 0 "[    .    1    .    2]" 1 
        886 1  47 ILE HA   1  47 ILE HG13 . . 3.850 2.933 2.797 3.072     .  0 0 "[    .    1    .    2]" 1 
        887 1  47 ILE HA   1  47 ILE MG   . . 3.340 2.390 2.317 2.489     .  0 0 "[    .    1    .    2]" 1 
        888 1  47 ILE HA   1  50 GLU H    . . 3.940 3.715 3.525 3.910     .  0 0 "[    .    1    .    2]" 1 
        889 1  47 ILE HA   1  50 GLU HB2  . . 3.710 2.784 2.248 3.037     .  0 0 "[    .    1    .    2]" 1 
        890 1  47 ILE HA   1  50 GLU HB3  . . 4.550 4.289 3.621 4.570 0.020 12 0 "[    .    1    .    2]" 1 
        891 1  47 ILE HA   1  50 GLU QG   . . 4.360 4.008 3.454 4.332     .  0 0 "[    .    1    .    2]" 1 
        892 1  47 ILE HB   1  47 ILE MD   . . 3.130 2.349 2.238 2.415     .  0 0 "[    .    1    .    2]" 1 
        893 1  47 ILE HB   1  48 LEU H    . . 3.770 2.587 2.243 2.809     .  0 0 "[    .    1    .    2]" 1 
        894 1  47 ILE HB   1  49 CYS H    . . 5.500 5.372 5.138 5.516 0.016 14 0 "[    .    1    .    2]" 1 
        895 1  47 ILE MD   1  47 ILE MG   . . 2.850 2.004 1.909 2.178     .  0 0 "[    .    1    .    2]" 1 
        896 1  47 ILE MD   1  48 LEU H    . . 4.710 4.556 4.338 4.711 0.001 17 0 "[    .    1    .    2]" 1 
        897 1  47 ILE HG13 1  47 ILE MG   . . 3.750 3.195 3.178 3.202     .  0 0 "[    .    1    .    2]" 1 
        898 1  47 ILE MG   1  48 LEU H    . . 4.410 3.293 3.004 3.574     .  0 0 "[    .    1    .    2]" 1 
        899 1  47 ILE MG   1  48 LEU HA   . . 4.430 3.331 3.125 3.622     .  0 0 "[    .    1    .    2]" 1 
        900 1  47 ILE MG   1  50 GLU HB2  . . 4.520 3.964 3.630 4.236     .  0 0 "[    .    1    .    2]" 1 
        901 1  47 ILE MG   1  51 PHE H    . . 4.700 4.115 3.823 4.419     .  0 0 "[    .    1    .    2]" 1 
        902 1  47 ILE MG   1  51 PHE HB2  . . 4.080 3.164 2.857 3.473     .  0 0 "[    .    1    .    2]" 1 
        903 1  48 LEU H    1  48 LEU HB2  . . 3.770 2.276 2.205 2.479     .  0 0 "[    .    1    .    2]" 1 
        904 1  48 LEU H    1  48 LEU HB3  . . 3.700 3.538 3.507 3.589     .  0 0 "[    .    1    .    2]" 1 
        905 1  48 LEU H    1  48 LEU MD1  . . 3.840 3.531 2.928 3.787     .  0 0 "[    .    1    .    2]" 1 
        906 1  48 LEU H    1  48 LEU MD2  . . 4.570 1.964 1.810 2.202     .  0 0 "[    .    1    .    2]" 1 
        907 1  48 LEU H    1  48 LEU HG   . . 4.100 3.964 3.705 4.096     .  0 0 "[    .    1    .    2]" 1 
        908 1  48 LEU H    1  49 CYS H    . . 3.590 2.929 2.745 3.072     .  0 0 "[    .    1    .    2]" 1 
        909 1  48 LEU H    1  99 LEU MD2  . . 4.800 4.600 4.409 4.798     .  0 0 "[    .    1    .    2]" 1 
        910 1  48 LEU HA   1  48 LEU MD1  . . 3.050 1.991 1.895 2.173     .  0 0 "[    .    1    .    2]" 1 
        911 1  48 LEU HA   1  48 LEU HG   . . 4.240 3.663 3.615 3.741     .  0 0 "[    .    1    .    2]" 1 
        912 1  48 LEU HA   1  51 PHE H    . . 3.990 3.365 3.220 3.640     .  0 0 "[    .    1    .    2]" 1 
        913 1  48 LEU HA   1  51 PHE HB2  . . 4.010 2.679 2.434 3.072     .  0 0 "[    .    1    .    2]" 1 
        914 1  48 LEU HA   1  51 PHE HB3  . . 3.750 2.848 2.570 3.092     .  0 0 "[    .    1    .    2]" 1 
        915 1  48 LEU HA   1  51 PHE QD   . . 4.400 3.929 3.673 4.365     .  0 0 "[    .    1    .    2]" 1 
        916 1  48 LEU HA   1  52 ILE H    . . 4.560 4.188 3.933 4.380     .  0 0 "[    .    1    .    2]" 1 
        917 1  48 LEU HA   1  79 PHE QD   . . 5.250 3.868 3.580 4.057     .  0 0 "[    .    1    .    2]" 1 
        918 1  48 LEU HA   1  79 PHE QE   . . 5.500 3.621 3.349 3.833     .  0 0 "[    .    1    .    2]" 1 
        919 1  48 LEU HB2  1  48 LEU MD1  . . 3.290 3.180 3.173 3.193     .  0 0 "[    .    1    .    2]" 1 
        920 1  48 LEU HB2  1  48 LEU MD2  . . 3.570 2.282 2.128 2.414     .  0 0 "[    .    1    .    2]" 1 
        921 1  48 LEU HB2  1  49 CYS H    . . 3.910 2.390 2.202 2.532     .  0 0 "[    .    1    .    2]" 1 
        922 1  48 LEU HB2  1  51 PHE H    . . 5.500 5.252 5.115 5.363     .  0 0 "[    .    1    .    2]" 1 
        923 1  48 LEU HB2  1  79 PHE QD   . . 4.490 4.009 3.845 4.181     .  0 0 "[    .    1    .    2]" 1 
        924 1  48 LEU HB3  1  48 LEU MD2  . . 3.450 3.179 3.157 3.195     .  0 0 "[    .    1    .    2]" 1 
        925 1  48 LEU HB3  1  49 CYS H    . . 3.660 2.970 2.774 3.105     .  0 0 "[    .    1    .    2]" 1 
        926 1  48 LEU HB3  1  79 PHE QD   . . 4.330 2.793 2.560 2.938     .  0 0 "[    .    1    .    2]" 1 
        927 1  48 LEU HB3  1  79 PHE HZ   . . 4.450 4.269 4.062 4.450     .  0 0 "[    .    1    .    2]" 1 
        928 1  48 LEU MD1  1  49 CYS H    . . 4.660 4.470 4.384 4.596     .  0 0 "[    .    1    .    2]" 1 
        929 1  48 LEU MD1  1  51 PHE HB2  . . 4.550 3.650 3.290 4.224     .  0 0 "[    .    1    .    2]" 1 
        930 1  48 LEU MD1  1  51 PHE HB3  . . 4.310 3.434 3.128 3.939     .  0 0 "[    .    1    .    2]" 1 
        931 1  48 LEU MD1  1  51 PHE QD   . . 4.060 3.348 3.055 3.947     .  0 0 "[    .    1    .    2]" 1 
        932 1  48 LEU MD1  1  79 PHE QD   . . 4.280 3.491 3.227 3.929     .  0 0 "[    .    1    .    2]" 1 
        933 1  48 LEU MD1  1  79 PHE QE   . . 4.140 2.697 2.487 3.239     .  0 0 "[    .    1    .    2]" 1 
        934 1  48 LEU MD1  1  79 PHE HZ   . . 3.990 2.683 2.418 3.172     .  0 0 "[    .    1    .    2]" 1 
        935 1  48 LEU MD1  1  94 PHE QE   . . 4.370 3.168 2.786 3.613     .  0 0 "[    .    1    .    2]" 1 
        936 1  48 LEU MD1  1  94 PHE HZ   . . 4.320 2.853 1.992 3.556     .  0 0 "[    .    1    .    2]" 1 
        937 1  48 LEU MD1  1 112 LEU MD1  . . 4.610 3.804 3.556 4.190     .  0 0 "[    .    1    .    2]" 1 
        938 1  48 LEU MD1  1 112 LEU MD2  . . 3.070 2.634 2.348 2.927     .  0 0 "[    .    1    .    2]" 1 
        939 1  48 LEU MD2  1  51 PHE H    . . 5.490 5.333 5.153 5.461     .  0 0 "[    .    1    .    2]" 1 
        940 1  48 LEU MD2  1  76 ILE HA   . . 4.930 4.730 4.297 4.918     .  0 0 "[    .    1    .    2]" 1 
        941 1  48 LEU MD2  1  76 ILE MD   . . 4.330 4.064 3.648 4.314     .  0 0 "[    .    1    .    2]" 1 
        942 1  48 LEU MD2  1  76 ILE MG   . . 4.520 4.218 3.861 4.512     .  0 0 "[    .    1    .    2]" 1 
        943 1  48 LEU MD2  1  79 PHE QE   . . 5.420 4.718 4.548 4.952     .  0 0 "[    .    1    .    2]" 1 
        944 1  48 LEU MD2  1  94 PHE QE   . . 4.620 4.452 4.174 4.616     .  0 0 "[    .    1    .    2]" 1 
        945 1  48 LEU MD2  1  94 PHE HZ   . . 4.210 3.951 3.627 4.130     .  0 0 "[    .    1    .    2]" 1 
        946 1  48 LEU MD2  1  99 LEU MD2  . . 3.300 1.958 1.808 2.129     .  0 0 "[    .    1    .    2]" 1 
        947 1  48 LEU HG   1  49 CYS H    . . 4.910 4.764 4.667 4.904     .  0 0 "[    .    1    .    2]" 1 
        948 1  49 CYS H    1  49 CYS HB2  . . 3.800 2.586 2.219 3.591     .  0 0 "[    .    1    .    2]" 1 
        949 1  49 CYS H    1  49 CYS QB   . . 3.060 2.413 2.196 2.726     .  0 0 "[    .    1    .    2]" 1 
        950 1  49 CYS H    1  49 CYS HB3  . . 3.800 3.441 2.527 3.606     .  0 0 "[    .    1    .    2]" 1 
        951 1  49 CYS H    1  50 GLU H    . . 3.310 2.905 2.674 3.035     .  0 0 "[    .    1    .    2]" 1 
        952 1  49 CYS H    1  51 PHE H    . . 4.880 3.978 3.855 4.134     .  0 0 "[    .    1    .    2]" 1 
        953 1  49 CYS H    1  52 ILE MG   . . 4.730 4.613 4.482 4.730     .  0 0 "[    .    1    .    2]" 1 
        954 1  49 CYS H    1  63 ILE MD   . . 4.560 4.367 4.039 4.514     .  0 0 "[    .    1    .    2]" 1 
        955 1  49 CYS H    1  63 ILE HG12 . . 5.500 5.213 4.991 5.361     .  0 0 "[    .    1    .    2]" 1 
        956 1  49 CYS H    1  63 ILE MG   . . 4.960 4.499 4.182 4.781     .  0 0 "[    .    1    .    2]" 1 
        957 1  49 CYS H    1  75 ASN HB3  . . 4.530 4.135 3.779 4.511     .  0 0 "[    .    1    .    2]" 1 
        958 1  49 CYS H    1  79 PHE HB3  . . 5.080 4.227 4.048 4.570     .  0 0 "[    .    1    .    2]" 1 
        959 1  49 CYS H    1  79 PHE QD   . . 4.780 3.791 3.562 4.090     .  0 0 "[    .    1    .    2]" 1 
        960 1  49 CYS HA   1  52 ILE H    . . 4.300 4.016 3.736 4.225     .  0 0 "[    .    1    .    2]" 1 
        961 1  49 CYS HA   1  52 ILE MG   . . 3.160 2.617 2.392 2.847     .  0 0 "[    .    1    .    2]" 1 
        962 1  49 CYS HA   1  60 VAL MG1  . . 4.750 4.123 3.770 4.422     .  0 0 "[    .    1    .    2]" 1 
        963 1  49 CYS HA   1  60 VAL MG2  . . 3.740 2.454 2.035 2.799     .  0 0 "[    .    1    .    2]" 1 
        964 1  49 CYS HA   1  63 ILE MD   . . 4.680 4.040 3.851 4.383     .  0 0 "[    .    1    .    2]" 1 
        965 1  49 CYS HA   1  79 PHE QD   . . 3.940 2.491 2.053 2.722     .  0 0 "[    .    1    .    2]" 1 
        966 1  49 CYS HA   1  79 PHE QE   . . 4.940 4.713 4.297 4.942 0.002 15 0 "[    .    1    .    2]" 1 
        967 1  49 CYS HA   1  82 ALA MB   . . 4.720 4.359 4.256 4.488     .  0 0 "[    .    1    .    2]" 1 
        968 1  49 CYS QB   1  50 GLU H    . . 3.710 2.607 2.316 3.607     .  0 0 "[    .    1    .    2]" 1 
        969 1  49 CYS QB   1  60 VAL MG1  . . 3.570 2.846 2.207 3.477     .  0 0 "[    .    1    .    2]" 1 
        970 1  49 CYS QB   1  60 VAL MG2  . . 3.710 2.422 1.943 2.922     .  0 0 "[    .    1    .    2]" 1 
        971 1  49 CYS QB   1  63 ILE HG12 . . 3.640 2.120 1.972 2.311     .  0 0 "[    .    1    .    2]" 1 
        972 1  49 CYS QB   1  63 ILE HG13 . . 4.760 3.385 3.212 3.494     .  0 0 "[    .    1    .    2]" 1 
        973 1  49 CYS HB2  1  60 VAL MG2  . . 4.330 3.582 1.977 4.281     .  0 0 "[    .    1    .    2]" 1 
        974 1  49 CYS HB2  1  63 ILE MD   . . 3.530 2.391 1.971 2.751     .  0 0 "[    .    1    .    2]" 1 
        975 1  49 CYS HB2  1  63 ILE HG12 . . 4.150 2.812 2.055 3.165     .  0 0 "[    .    1    .    2]" 1 
        976 1  49 CYS HB2  1  63 ILE MG   . . 3.790 2.763 2.290 3.556     .  0 0 "[    .    1    .    2]" 1 
        977 1  49 CYS HB3  1  60 VAL MG2  . . 4.330 2.550 1.981 2.974     .  0 0 "[    .    1    .    2]" 1 
        978 1  49 CYS HB3  1  63 ILE MD   . . 3.530 2.352 1.874 3.537 0.007 14 0 "[    .    1    .    2]" 1 
        979 1  49 CYS HB3  1  63 ILE HG12 . . 4.150 2.332 1.999 3.307     .  0 0 "[    .    1    .    2]" 1 
        980 1  49 CYS HB3  1  63 ILE MG   . . 3.790 3.299 2.746 3.796 0.006 14 0 "[    .    1    .    2]" 1 
        981 1  50 GLU H    1  50 GLU HB2  . . 3.090 2.290 2.179 2.552     .  0 0 "[    .    1    .    2]" 1 
        982 1  50 GLU H    1  50 GLU HB3  . . 4.180 3.543 3.483 3.595     .  0 0 "[    .    1    .    2]" 1 
        983 1  50 GLU H    1  50 GLU HG2  . . 3.960 3.399 2.574 3.825     .  0 0 "[    .    1    .    2]" 1 
        984 1  50 GLU H    1  50 GLU QG   . . 3.200 2.681 2.452 2.964     .  0 0 "[    .    1    .    2]" 1 
        985 1  50 GLU H    1  50 GLU HG3  . . 3.960 3.015 2.493 3.854     .  0 0 "[    .    1    .    2]" 1 
        986 1  50 GLU H    1  51 PHE H    . . 3.390 2.556 2.234 2.667     .  0 0 "[    .    1    .    2]" 1 
        987 1  50 GLU H    1  51 PHE HB2  . . 4.870 4.657 4.297 4.806     .  0 0 "[    .    1    .    2]" 1 
        988 1  50 GLU H    1  53 ASN H    . . 5.380 4.914 4.757 5.090     .  0 0 "[    .    1    .    2]" 1 
        989 1  50 GLU H    1  63 ILE MD   . . 3.500 2.930 2.688 3.262     .  0 0 "[    .    1    .    2]" 1 
        990 1  50 GLU H    1  63 ILE MG   . . 5.470 4.159 3.531 5.136     .  0 0 "[    .    1    .    2]" 1 
        991 1  50 GLU HA   1  50 GLU HG2  . . 3.950 2.445 2.201 3.545     .  0 0 "[    .    1    .    2]" 1 
        992 1  50 GLU HA   1  50 GLU QG   . . 3.420 2.327 2.161 2.614     .  0 0 "[    .    1    .    2]" 1 
        993 1  50 GLU HA   1  50 GLU HG3  . . 3.950 3.207 2.440 3.713     .  0 0 "[    .    1    .    2]" 1 
        994 1  50 GLU HA   1  53 ASN H    . . 3.920 3.574 3.361 3.777     .  0 0 "[    .    1    .    2]" 1 
        995 1  50 GLU HA   1  53 ASN HB2  . . 4.170 2.471 2.085 2.901     .  0 0 "[    .    1    .    2]" 1 
        996 1  50 GLU HA   1  53 ASN QB   . . 3.560 2.325 2.068 2.582     .  0 0 "[    .    1    .    2]" 1 
        997 1  50 GLU HA   1  53 ASN HB3  . . 4.170 3.192 2.497 3.948     .  0 0 "[    .    1    .    2]" 1 
        998 1  50 GLU HA   1  53 ASN QD   . . 4.630 3.444 2.118 4.228     .  0 0 "[    .    1    .    2]" 1 
        999 1  50 GLU HA   1  63 ILE MD   . . 3.680 2.859 2.454 3.071     .  0 0 "[    .    1    .    2]" 1 
       1000 1  50 GLU HB2  1  51 PHE H    . . 3.530 3.105 2.805 3.472     .  0 0 "[    .    1    .    2]" 1 
       1001 1  50 GLU HB2  1  63 ILE MD   . . 4.330 3.859 3.541 4.255     .  0 0 "[    .    1    .    2]" 1 
       1002 1  50 GLU HB3  1  51 PHE H    . . 3.900 3.782 3.597 3.902 0.002 12 0 "[    .    1    .    2]" 1 
       1003 1  50 GLU HB3  1  54 LYS QE   . . 5.340 3.820 3.037 5.255     .  0 0 "[    .    1    .    2]" 1 
       1004 1  50 GLU HB3  1  63 ILE MD   . . 4.720 4.204 3.989 4.488     .  0 0 "[    .    1    .    2]" 1 
       1005 1  50 GLU QG   1  51 PHE H    . . 4.740 4.396 4.218 4.598     .  0 0 "[    .    1    .    2]" 1 
       1006 1  50 GLU QG   1  63 ILE MD   . . 3.090 2.019 1.795 2.353     .  0 0 "[    .    1    .    2]" 1 
       1007 1  50 GLU QG   1  63 ILE MG   . . 4.200 3.329 2.749 3.799     .  0 0 "[    .    1    .    2]" 1 
       1008 1  50 GLU HG2  1  63 ILE MD   . . 3.600 2.354 1.804 3.294     .  0 0 "[    .    1    .    2]" 1 
       1009 1  50 GLU HG2  1  63 ILE MG   . . 4.850 4.189 3.185 4.786     .  0 0 "[    .    1    .    2]" 1 
       1010 1  50 GLU HG3  1  63 ILE MD   . . 3.600 2.511 2.044 3.317     .  0 0 "[    .    1    .    2]" 1 
       1011 1  50 GLU HG3  1  63 ILE MG   . . 4.850 3.669 2.813 4.679     .  0 0 "[    .    1    .    2]" 1 
       1012 1  51 PHE H    1  51 PHE HB2  . . 3.170 2.418 2.255 2.611     .  0 0 "[    .    1    .    2]" 1 
       1013 1  51 PHE H    1  51 PHE HB3  . . 3.130 2.683 2.565 2.843     .  0 0 "[    .    1    .    2]" 1 
       1014 1  51 PHE H    1  51 PHE QD   . . 4.220 4.119 3.983 4.205     .  0 0 "[    .    1    .    2]" 1 
       1015 1  51 PHE H    1  52 ILE H    . . 3.600 2.875 2.538 3.078     .  0 0 "[    .    1    .    2]" 1 
       1016 1  51 PHE HA   1  51 PHE QD   . . 3.480 2.062 2.000 2.248     .  0 0 "[    .    1    .    2]" 1 
       1017 1  51 PHE HA   1  54 LYS H    . . 3.720 3.650 3.534 3.718     .  0 0 "[    .    1    .    2]" 1 
       1018 1  51 PHE HA   1  54 LYS HB2  . . 4.490 3.497 3.316 3.838     .  0 0 "[    .    1    .    2]" 1 
       1019 1  51 PHE HA   1  54 LYS HG2  . . 4.460 3.750 3.502 4.017     .  0 0 "[    .    1    .    2]" 1 
       1020 1  51 PHE HA   1  54 LYS HG3  . . 4.730 3.770 3.560 3.941     .  0 0 "[    .    1    .    2]" 1 
       1021 1  51 PHE HB2  1  52 ILE H    . . 3.710 3.475 3.343 3.600     .  0 0 "[    .    1    .    2]" 1 
       1022 1  51 PHE HB3  1  52 ILE H    . . 3.460 2.033 1.902 2.291     .  0 0 "[    .    1    .    2]" 1 
       1023 1  51 PHE QD   1  52 ILE H    . . 4.010 3.574 3.343 3.854     .  0 0 "[    .    1    .    2]" 1 
       1024 1  51 PHE QD   1  55 LEU MD1  . . 4.530 3.798 3.497 3.915     .  0 0 "[    .    1    .    2]" 1 
       1025 1  51 PHE QD   1 112 LEU MD2  . . 4.580 3.413 3.163 3.679     .  0 0 "[    .    1    .    2]" 1 
       1026 1  51 PHE QD   1 115 LEU MD2  . . 4.170 2.407 2.071 2.839     .  0 0 "[    .    1    .    2]" 1 
       1027 1  51 PHE QE   1  55 LEU MD1  . . 4.000 3.591 3.196 3.819     .  0 0 "[    .    1    .    2]" 1 
       1028 1  51 PHE QE   1  55 LEU MD2  . . 4.430 4.008 3.615 4.287     .  0 0 "[    .    1    .    2]" 1 
       1029 1  51 PHE QE   1 112 LEU MD2  . . 4.590 2.896 2.619 3.486     .  0 0 "[    .    1    .    2]" 1 
       1030 1  51 PHE QE   1 115 LEU MD2  . . 3.570 2.181 1.945 2.444     .  0 0 "[    .    1    .    2]" 1 
       1031 1  52 ILE H    1  52 ILE HB   . . 3.280 2.499 2.415 2.578     .  0 0 "[    .    1    .    2]" 1 
       1032 1  52 ILE H    1  52 ILE MD   . . 4.220 3.994 3.868 4.104     .  0 0 "[    .    1    .    2]" 1 
       1033 1  52 ILE H    1  52 ILE HG13 . . 4.560 4.492 4.434 4.531     .  0 0 "[    .    1    .    2]" 1 
       1034 1  52 ILE H    1  52 ILE MG   . . 3.070 2.121 1.970 2.258     .  0 0 "[    .    1    .    2]" 1 
       1035 1  52 ILE H    1  53 ASN H    . . 3.400 2.692 2.584 2.759     .  0 0 "[    .    1    .    2]" 1 
       1036 1  52 ILE H    1  54 LYS H    . . 4.610 4.559 4.429 4.612 0.002 16 0 "[    .    1    .    2]" 1 
       1037 1  52 ILE H    1  55 LEU MD1  . . 4.620 4.388 3.990 4.536     .  0 0 "[    .    1    .    2]" 1 
       1038 1  52 ILE H    1  60 VAL MG2  . . 5.440 4.755 4.483 5.149     .  0 0 "[    .    1    .    2]" 1 
       1039 1  52 ILE H    1  79 PHE HA   . . 5.500 5.431 5.310 5.497     .  0 0 "[    .    1    .    2]" 1 
       1040 1  52 ILE H    1  79 PHE QD   . . 4.380 2.858 2.732 2.990     .  0 0 "[    .    1    .    2]" 1 
       1041 1  52 ILE H    1  79 PHE QE   . . 4.550 2.587 2.324 2.922     .  0 0 "[    .    1    .    2]" 1 
       1042 1  52 ILE HA   1  52 ILE MD   . . 3.060 2.129 1.988 2.335     .  0 0 "[    .    1    .    2]" 1 
       1043 1  52 ILE HA   1  52 ILE HG13 . . 3.900 2.995 2.935 3.116     .  0 0 "[    .    1    .    2]" 1 
       1044 1  52 ILE HA   1  52 ILE MG   . . 3.700 3.197 3.189 3.202     .  0 0 "[    .    1    .    2]" 1 
       1045 1  52 ILE HA   1  55 LEU H    . . 3.700 3.510 3.350 3.625     .  0 0 "[    .    1    .    2]" 1 
       1046 1  52 ILE HA   1  55 LEU HB2  . . 3.950 3.145 2.898 3.361     .  0 0 "[    .    1    .    2]" 1 
       1047 1  52 ILE HA   1  55 LEU HB3  . . 4.970 4.657 4.376 4.906     .  0 0 "[    .    1    .    2]" 1 
       1048 1  52 ILE HA   1  55 LEU MD1  . . 3.750 2.392 2.011 2.637     .  0 0 "[    .    1    .    2]" 1 
       1049 1  52 ILE HA   1  55 LEU HG   . . 4.280 3.015 2.716 3.202     .  0 0 "[    .    1    .    2]" 1 
       1050 1  52 ILE HB   1  52 ILE MD   . . 3.300 2.322 2.221 2.392     .  0 0 "[    .    1    .    2]" 1 
       1051 1  52 ILE HB   1  53 ASN H    . . 4.300 4.111 3.979 4.175     .  0 0 "[    .    1    .    2]" 1 
       1052 1  52 ILE HB   1  79 PHE QE   . . 3.760 2.432 2.127 2.814     .  0 0 "[    .    1    .    2]" 1 
       1053 1  52 ILE HB   1  82 ALA MB   . . 4.090 3.557 3.237 3.796     .  0 0 "[    .    1    .    2]" 1 
       1054 1  52 ILE MD   1  52 ILE MG   . . 3.330 3.251 3.233 3.256     .  0 0 "[    .    1    .    2]" 1 
       1055 1  52 ILE MD   1  55 LEU H    . . 4.530 4.269 4.069 4.423     .  0 0 "[    .    1    .    2]" 1 
       1056 1  52 ILE MD   1  55 LEU HB2  . . 3.970 2.664 2.368 2.826     .  0 0 "[    .    1    .    2]" 1 
       1057 1  52 ILE MD   1  55 LEU HB3  . . 4.220 3.899 3.530 4.131     .  0 0 "[    .    1    .    2]" 1 
       1058 1  52 ILE MD   1  55 LEU MD1  . . 3.350 2.543 2.116 2.808     .  0 0 "[    .    1    .    2]" 1 
       1059 1  52 ILE MD   1  55 LEU HG   . . 4.620 3.907 3.609 4.154     .  0 0 "[    .    1    .    2]" 1 
       1060 1  52 ILE MD   1  56 GLN H    . . 3.920 3.779 3.571 3.921 0.001 18 0 "[    .    1    .    2]" 1 
       1061 1  52 ILE MD   1  56 GLN HB2  . . 4.100 3.956 3.474 4.101 0.001  8 0 "[    .    1    .    2]" 1 
       1062 1  52 ILE MD   1  56 GLN HB3  . . 4.820 3.267 2.937 3.536     .  0 0 "[    .    1    .    2]" 1 
       1063 1  52 ILE MD   1  56 GLN HE21 . . 4.530 3.676 3.324 4.155     .  0 0 "[    .    1    .    2]" 1 
       1064 1  52 ILE MD   1  56 GLN HE22 . . 5.160 4.354 4.015 4.719     .  0 0 "[    .    1    .    2]" 1 
       1065 1  52 ILE MD   1  79 PHE QE   . . 5.500 3.883 3.527 4.144     .  0 0 "[    .    1    .    2]" 1 
       1066 1  52 ILE MD   1  82 ALA MB   . . 4.030 3.598 3.262 3.807     .  0 0 "[    .    1    .    2]" 1 
       1067 1  52 ILE MD   1  83 ILE HA   . . 3.790 2.082 1.962 2.288     .  0 0 "[    .    1    .    2]" 1 
       1068 1  52 ILE MD   1  86 TYR H    . . 4.750 3.855 3.587 4.117     .  0 0 "[    .    1    .    2]" 1 
       1069 1  52 ILE MD   1  86 TYR HB2  . . 4.240 2.158 1.981 2.516     .  0 0 "[    .    1    .    2]" 1 
       1070 1  52 ILE MD   1  86 TYR HB3  . . 4.270 2.567 2.495 2.645     .  0 0 "[    .    1    .    2]" 1 
       1071 1  52 ILE MD   1  86 TYR QD   . . 3.980 3.002 2.874 3.120     .  0 0 "[    .    1    .    2]" 1 
       1072 1  52 ILE MD   1  86 TYR QE   . . 4.520 3.865 3.679 4.059     .  0 0 "[    .    1    .    2]" 1 
       1073 1  52 ILE MD   1  87 GLY H    . . 4.260 4.248 4.229 4.261 0.001  2 0 "[    .    1    .    2]" 1 
       1074 1  52 ILE MD   1 115 LEU MD1  . . 3.380 2.419 2.158 2.618     .  0 0 "[    .    1    .    2]" 1 
       1075 1  52 ILE HG13 1  52 ILE MG   . . 3.440 2.362 2.278 2.442     .  0 0 "[    .    1    .    2]" 1 
       1076 1  52 ILE HG13 1  53 ASN H    . . 4.710 4.183 3.896 4.405     .  0 0 "[    .    1    .    2]" 1 
       1077 1  52 ILE HG13 1  56 GLN H    . . 4.210 3.968 3.714 4.184     .  0 0 "[    .    1    .    2]" 1 
       1078 1  52 ILE HG13 1  56 GLN HB3  . . 4.670 3.046 2.697 3.308     .  0 0 "[    .    1    .    2]" 1 
       1079 1  52 ILE HG13 1  56 GLN HE21 . . 5.320 3.176 2.740 3.591     .  0 0 "[    .    1    .    2]" 1 
       1080 1  52 ILE HG13 1  82 ALA MB   . . 3.490 3.031 2.567 3.312     .  0 0 "[    .    1    .    2]" 1 
       1081 1  52 ILE MG   1  53 ASN H    . . 3.210 2.380 2.198 2.600     .  0 0 "[    .    1    .    2]" 1 
       1082 1  52 ILE MG   1  53 ASN HA   . . 4.750 3.311 3.064 3.447     .  0 0 "[    .    1    .    2]" 1 
       1083 1  52 ILE MG   1  56 GLN HE21 . . 4.600 4.475 4.047 4.605 0.005 17 0 "[    .    1    .    2]" 1 
       1084 1  52 ILE MG   1  59 SER H    . . 5.030 4.637 4.420 4.810     .  0 0 "[    .    1    .    2]" 1 
       1085 1  52 ILE MG   1  59 SER HB2  . . 4.020 2.358 2.049 2.766     .  0 0 "[    .    1    .    2]" 1 
       1086 1  52 ILE MG   1  59 SER QB   . . 3.320 1.933 1.785 2.237     .  0 0 "[    .    1    .    2]" 1 
       1087 1  52 ILE MG   1  59 SER HB3  . . 4.020 2.073 1.902 2.572     .  0 0 "[    .    1    .    2]" 1 
       1088 1  52 ILE MG   1  60 VAL H    . . 4.350 3.765 3.482 4.038     .  0 0 "[    .    1    .    2]" 1 
       1089 1  52 ILE MG   1  60 VAL MG2  . . 3.050 2.404 2.180 2.750     .  0 0 "[    .    1    .    2]" 1 
       1090 1  52 ILE MG   1  79 PHE H    . . 5.080 4.877 4.765 5.025     .  0 0 "[    .    1    .    2]" 1 
       1091 1  52 ILE MG   1  79 PHE HA   . . 3.710 2.552 2.390 2.658     .  0 0 "[    .    1    .    2]" 1 
       1092 1  52 ILE MG   1  79 PHE HB2  . . 4.800 3.438 3.185 3.543     .  0 0 "[    .    1    .    2]" 1 
       1093 1  52 ILE MG   1  79 PHE HB3  . . 4.670 4.571 4.395 4.668     .  0 0 "[    .    1    .    2]" 1 
       1094 1  52 ILE MG   1  79 PHE QD   . . 3.350 2.104 1.891 2.360     .  0 0 "[    .    1    .    2]" 1 
       1095 1  52 ILE MG   1  79 PHE QE   . . 3.980 3.254 2.900 3.574     .  0 0 "[    .    1    .    2]" 1 
       1096 1  52 ILE MG   1  82 ALA HA   . . 4.760 4.538 4.258 4.741     .  0 0 "[    .    1    .    2]" 1 
       1097 1  52 ILE MG   1  82 ALA MB   . . 3.010 2.034 1.872 2.198     .  0 0 "[    .    1    .    2]" 1 
       1098 1  52 ILE MG   1  83 ILE H    . . 4.620 3.720 3.485 4.153     .  0 0 "[    .    1    .    2]" 1 
       1099 1  53 ASN H    1  53 ASN HB2  . . 3.520 2.257 2.179 2.375     .  0 0 "[    .    1    .    2]" 1 
       1100 1  53 ASN H    1  53 ASN QB   . . 2.900 2.192 2.158 2.246     .  0 0 "[    .    1    .    2]" 1 
       1101 1  53 ASN H    1  53 ASN HB3  . . 3.520 3.151 2.763 3.520 0.000 14 0 "[    .    1    .    2]" 1 
       1102 1  53 ASN H    1  54 LYS HB2  . . 4.860 4.683 4.573 4.838     .  0 0 "[    .    1    .    2]" 1 
       1103 1  53 ASN H    1  56 GLN H    . . 5.160 4.615 4.471 4.712     .  0 0 "[    .    1    .    2]" 1 
       1104 1  53 ASN H    1  60 VAL MG2  . . 4.320 4.052 3.750 4.322 0.002 12 0 "[    .    1    .    2]" 1 
       1105 1  53 ASN H    1  82 ALA MB   . . 5.320 5.154 4.948 5.317     .  0 0 "[    .    1    .    2]" 1 
       1106 1  53 ASN HA   1  56 GLN H    . . 3.950 3.294 3.098 3.418     .  0 0 "[    .    1    .    2]" 1 
       1107 1  53 ASN HA   1  60 VAL H    . . 4.760 3.693 3.342 3.930     .  0 0 "[    .    1    .    2]" 1 
       1108 1  53 ASN QB   1  54 LYS H    . . 3.560 2.511 2.364 2.644     .  0 0 "[    .    1    .    2]" 1 
       1109 1  53 ASN QB   1  63 ILE MD   . . 4.540 3.655 3.025 4.230     .  0 0 "[    .    1    .    2]" 1 
       1110 1  53 ASN HB2  1  54 LYS H    . . 4.090 3.139 2.619 3.664     .  0 0 "[    .    1    .    2]" 1 
       1111 1  53 ASN HB3  1  54 LYS H    . . 4.090 2.842 2.404 3.298     .  0 0 "[    .    1    .    2]" 1 
       1112 1  53 ASN QD   1  59 SER H    . . 4.830 3.797 3.119 4.564     .  0 0 "[    .    1    .    2]" 1 
       1113 1  53 ASN QD   1  60 VAL H    . . 3.240 2.130 1.821 2.445     .  0 0 "[    .    1    .    2]" 1 
       1114 1  53 ASN QD   1  60 VAL HB   . . 3.400 2.171 1.889 2.769     .  0 0 "[    .    1    .    2]" 1 
       1115 1  53 ASN QD   1  60 VAL MG2  . . 3.790 2.468 1.794 3.162     .  0 0 "[    .    1    .    2]" 1 
       1116 1  53 ASN QD   1  63 ILE MD   . . 3.600 3.064 2.020 3.601 0.001 13 0 "[    .    1    .    2]" 1 
       1117 1  53 ASN HD21 1  60 VAL H    . . 3.800 2.825 1.854 3.799     .  0 0 "[    .    1    .    2]" 1 
       1118 1  53 ASN HD21 1  60 VAL HB   . . 4.030 2.985 2.201 3.602     .  0 0 "[    .    1    .    2]" 1 
       1119 1  53 ASN HD21 1  60 VAL MG2  . . 4.390 2.900 2.383 4.356     .  0 0 "[    .    1    .    2]" 1 
       1120 1  53 ASN HD22 1  60 VAL H    . . 3.800 2.484 1.835 3.070     .  0 0 "[    .    1    .    2]" 1 
       1121 1  53 ASN HD22 1  60 VAL HB   . . 4.030 2.739 1.898 3.819     .  0 0 "[    .    1    .    2]" 1 
       1122 1  53 ASN HD22 1  60 VAL MG2  . . 4.390 3.190 1.856 4.363     .  0 0 "[    .    1    .    2]" 1 
       1123 1  54 LYS H    1  54 LYS HB2  . . 3.160 2.464 2.414 2.529     .  0 0 "[    .    1    .    2]" 1 
       1124 1  54 LYS H    1  54 LYS HB3  . . 4.010 3.586 3.579 3.591     .  0 0 "[    .    1    .    2]" 1 
       1125 1  54 LYS H    1  54 LYS QD   . . 3.710 3.647 3.537 3.714 0.004  4 0 "[    .    1    .    2]" 1 
       1126 1  54 LYS H    1  54 LYS HG2  . . 4.040 2.229 2.104 2.325     .  0 0 "[    .    1    .    2]" 1 
       1127 1  54 LYS H    1  54 LYS HG3  . . 3.650 3.545 3.452 3.632     .  0 0 "[    .    1    .    2]" 1 
       1128 1  54 LYS H    1  55 LEU H    . . 3.090 2.694 2.626 2.815     .  0 0 "[    .    1    .    2]" 1 
       1129 1  54 LYS H    1  55 LEU MD2  . . 4.920 4.792 4.641 4.889     .  0 0 "[    .    1    .    2]" 1 
       1130 1  54 LYS H    1  55 LEU HG   . . 4.210 4.076 3.846 4.190     .  0 0 "[    .    1    .    2]" 1 
       1131 1  54 LYS H    1  56 GLN H    . . 4.390 4.215 3.938 4.361     .  0 0 "[    .    1    .    2]" 1 
       1132 1  54 LYS HA   1  54 LYS HD2  . . 3.650 3.118 2.083 3.408     .  0 0 "[    .    1    .    2]" 1 
       1133 1  54 LYS HA   1  54 LYS QD   . . 3.030 2.063 1.988 2.222     .  0 0 "[    .    1    .    2]" 1 
       1134 1  54 LYS HA   1  54 LYS HD3  . . 3.650 2.222 2.010 3.464     .  0 0 "[    .    1    .    2]" 1 
       1135 1  54 LYS HA   1  54 LYS HG2  . . 3.960 2.896 2.839 2.989     .  0 0 "[    .    1    .    2]" 1 
       1136 1  54 LYS HA   1  54 LYS HG3  . . 4.060 3.754 3.722 3.793     .  0 0 "[    .    1    .    2]" 1 
       1137 1  54 LYS HB2  1  54 LYS QD   . . 3.670 3.305 3.280 3.418     .  0 0 "[    .    1    .    2]" 1 
       1138 1  54 LYS HB2  1  55 LEU H    . . 3.590 2.838 2.728 3.002     .  0 0 "[    .    1    .    2]" 1 
       1139 1  54 LYS HB2  1  55 LEU MD2  . . 4.410 3.238 3.010 3.455     .  0 0 "[    .    1    .    2]" 1 
       1140 1  54 LYS HB3  1  55 LEU H    . . 3.830 3.772 3.643 3.833 0.003 15 0 "[    .    1    .    2]" 1 
       1141 1  54 LYS QE   1  54 LYS HG2  . . 3.650 2.509 2.228 3.282     .  0 0 "[    .    1    .    2]" 1 
       1142 1  54 LYS QE   1  54 LYS HG3  . . 3.360 2.382 2.094 2.556     .  0 0 "[    .    1    .    2]" 1 
       1143 1  55 LEU H    1  55 LEU HB2  . . 3.240 2.634 2.531 2.730     .  0 0 "[    .    1    .    2]" 1 
       1144 1  55 LEU H    1  55 LEU HB3  . . 4.130 3.614 3.594 3.641     .  0 0 "[    .    1    .    2]" 1 
       1145 1  55 LEU H    1  55 LEU MD1  . . 3.810 3.604 3.461 3.714     .  0 0 "[    .    1    .    2]" 1 
       1146 1  55 LEU H    1  55 LEU MD2  . . 3.770 3.128 2.974 3.239     .  0 0 "[    .    1    .    2]" 1 
       1147 1  55 LEU H    1  55 LEU HG   . . 3.050 2.125 1.931 2.304     .  0 0 "[    .    1    .    2]" 1 
       1148 1  55 LEU H    1  56 GLN H    . . 3.090 2.441 2.316 2.539     .  0 0 "[    .    1    .    2]" 1 
       1149 1  55 LEU H    1  56 GLN HB3  . . 4.810 4.739 4.622 4.816 0.006 13 0 "[    .    1    .    2]" 1 
       1150 1  55 LEU HA   1  55 LEU MD1  . . 4.030 3.916 3.865 3.973     .  0 0 "[    .    1    .    2]" 1 
       1151 1  55 LEU HA   1  55 LEU MD2  . . 2.950 2.314 2.210 2.468     .  0 0 "[    .    1    .    2]" 1 
       1152 1  55 LEU HA   1  55 LEU HG   . . 4.080 3.286 3.233 3.354     .  0 0 "[    .    1    .    2]" 1 
       1153 1  55 LEU HB2  1  55 LEU MD1  . . 3.300 2.327 2.174 2.417     .  0 0 "[    .    1    .    2]" 1 
       1154 1  55 LEU HB2  1  56 GLN H    . . 3.400 2.601 2.409 3.004     .  0 0 "[    .    1    .    2]" 1 
       1155 1  55 LEU HB3  1  55 LEU MD1  . . 2.920 2.325 2.251 2.442     .  0 0 "[    .    1    .    2]" 1 
       1156 1  55 LEU HB3  1  86 TYR QD   . . 5.280 4.642 4.403 4.912     .  0 0 "[    .    1    .    2]" 1 
       1157 1  55 LEU HB3  1  86 TYR QE   . . 4.180 3.302 3.021 3.528     .  0 0 "[    .    1    .    2]" 1 
       1158 1  55 LEU MD1  1  56 GLN H    . . 4.640 4.416 4.199 4.625     .  0 0 "[    .    1    .    2]" 1 
       1159 1  55 LEU MD1  1  83 ILE MG   . . 4.430 4.075 3.725 4.360     .  0 0 "[    .    1    .    2]" 1 
       1160 1  55 LEU MD1  1  86 TYR QE   . . 4.400 3.318 3.092 3.651     .  0 0 "[    .    1    .    2]" 1 
       1161 1  55 LEU MD1  1 115 LEU MD1  . . 3.460 2.546 2.199 2.863     .  0 0 "[    .    1    .    2]" 1 
       1162 1  55 LEU MD1  1 115 LEU MD2  . . 3.770 2.569 2.306 2.901     .  0 0 "[    .    1    .    2]" 1 
       1163 1  55 LEU MD1  1 115 LEU HG   . . 3.950 2.565 2.307 2.911     .  0 0 "[    .    1    .    2]" 1 
       1164 1  55 LEU MD1  1 119 ALA MB   . . 3.450 2.533 1.997 3.113     .  0 0 "[    .    1    .    2]" 1 
       1165 1  55 LEU MD2  1  56 GLN H    . . 4.770 4.590 4.525 4.632     .  0 0 "[    .    1    .    2]" 1 
       1166 1  55 LEU MD2  1  86 TYR QE   . . 4.710 4.519 4.271 4.651     .  0 0 "[    .    1    .    2]" 1 
       1167 1  55 LEU MD2  1 119 ALA MB   . . 3.420 2.295 1.967 2.575     .  0 0 "[    .    1    .    2]" 1 
       1168 1  55 LEU MD2  1 124 ASN HB2  . . 4.680 3.666 3.142 3.980     .  0 0 "[    .    1    .    2]" 1 
       1169 1  55 LEU MD2  1 124 ASN HD21 . . 4.360 3.725 3.094 4.355     .  0 0 "[    .    1    .    2]" 1 
       1170 1  55 LEU MD2  1 124 ASN HD22 . . 4.790 3.663 3.026 4.182     .  0 0 "[    .    1    .    2]" 1 
       1171 1  55 LEU HG   1  56 GLN H    . . 4.630 4.001 3.836 4.131     .  0 0 "[    .    1    .    2]" 1 
       1172 1  56 GLN H    1  56 GLN HB2  . . 3.430 3.367 3.273 3.437 0.007 15 0 "[    .    1    .    2]" 1 
       1173 1  56 GLN H    1  56 GLN HB3  . . 3.550 2.507 2.427 2.741     .  0 0 "[    .    1    .    2]" 1 
       1174 1  56 GLN H    1  56 GLN HE21 . . 5.500 4.780 4.546 5.205     .  0 0 "[    .    1    .    2]" 1 
       1175 1  56 GLN H    1  56 GLN HG2  . . 4.480 4.118 4.008 4.399     .  0 0 "[    .    1    .    2]" 1 
       1176 1  56 GLN H    1  56 GLN HG3  . . 5.060 4.568 4.500 4.662     .  0 0 "[    .    1    .    2]" 1 
       1177 1  56 GLN H    1  57 PRO HD2  . . 4.780 4.730 4.564 4.799 0.019 15 0 "[    .    1    .    2]" 1 
       1178 1  56 GLN H    1  57 PRO QD   . . 4.180 4.081 3.826 4.209 0.029 15 0 "[    .    1    .    2]" 1 
       1179 1  56 GLN H    1  57 PRO HD3  . . 4.780 4.461 4.108 4.656     .  0 0 "[    .    1    .    2]" 1 
       1180 1  56 GLN H    1  59 SER HG   . . 4.060 3.254 2.859 3.887     .  0 0 "[    .    1    .    2]" 1 
       1181 1  56 GLN HA   1  56 GLN HG3  . . 3.930 2.739 2.565 2.816     .  0 0 "[    .    1    .    2]" 1 
       1182 1  56 GLN HA   1  57 PRO HD2  . . 3.370 1.990 1.914 2.084     .  0 0 "[    .    1    .    2]" 1 
       1183 1  56 GLN HA   1  57 PRO HD3  . . 3.370 2.322 2.263 2.476     .  0 0 "[    .    1    .    2]" 1 
       1184 1  56 GLN HA   1  57 PRO HG2  . . 4.640 4.185 4.119 4.260     .  0 0 "[    .    1    .    2]" 1 
       1185 1  56 GLN HA   1  57 PRO HG3  . . 4.640 4.320 4.314 4.370     .  0 0 "[    .    1    .    2]" 1 
       1186 1  56 GLN HB2  1  56 GLN HE21 . . 3.880 3.204 2.929 3.578     .  0 0 "[    .    1    .    2]" 1 
       1187 1  56 GLN HB2  1  56 GLN HE22 . . 4.590 3.920 3.764 4.095     .  0 0 "[    .    1    .    2]" 1 
       1188 1  56 GLN HB2  1  59 SER HG   . . 4.100 3.984 3.784 4.100 0.000  4 0 "[    .    1    .    2]" 1 
       1189 1  56 GLN HB2  1  86 TYR QD   . . 4.240 2.129 2.000 2.396     .  0 0 "[    .    1    .    2]" 1 
       1190 1  56 GLN HB2  1  86 TYR QE   . . 4.360 2.668 2.351 2.924     .  0 0 "[    .    1    .    2]" 1 
       1191 1  56 GLN HB3  1  56 GLN HE21 . . 4.290 2.383 2.193 2.782     .  0 0 "[    .    1    .    2]" 1 
       1192 1  56 GLN HB3  1  56 GLN HE22 . . 4.620 3.779 3.674 3.968     .  0 0 "[    .    1    .    2]" 1 
       1193 1  56 GLN HB3  1  59 SER H    . . 4.490 4.295 3.937 4.488     .  0 0 "[    .    1    .    2]" 1 
       1194 1  56 GLN HB3  1  86 TYR QD   . . 3.820 3.083 2.819 3.515     .  0 0 "[    .    1    .    2]" 1 
       1195 1  56 GLN HB3  1  86 TYR QE   . . 4.330 3.983 3.687 4.325     .  0 0 "[    .    1    .    2]" 1 
       1196 1  56 GLN HE21 1  59 SER HA   . . 4.300 2.822 2.164 3.748     .  0 0 "[    .    1    .    2]" 1 
       1197 1  56 GLN HE21 1  59 SER QB   . . 4.410 3.139 2.480 3.484     .  0 0 "[    .    1    .    2]" 1 
       1198 1  56 GLN HE21 1  59 SER HG   . . 4.310 3.063 2.210 3.346     .  0 0 "[    .    1    .    2]" 1 
       1199 1  56 GLN HE21 1  82 ALA MB   . . 4.080 3.645 3.231 3.940     .  0 0 "[    .    1    .    2]" 1 
       1200 1  56 GLN HE22 1  59 SER HG   . . 4.970 4.699 3.832 4.972 0.002 18 0 "[    .    1    .    2]" 1 
       1201 1  56 GLN HE22 1  82 ALA MB   . . 4.570 4.292 3.778 4.570     .  0 0 "[    .    1    .    2]" 1 
       1202 1  56 GLN HE22 1  85 LYS HB2  . . 4.720 3.399 2.865 3.797     .  0 0 "[    .    1    .    2]" 1 
       1203 1  56 GLN HE22 1  85 LYS HB3  . . 4.120 3.845 3.404 4.041     .  0 0 "[    .    1    .    2]" 1 
       1204 1  56 GLN HE22 1  86 TYR H    . . 3.620 3.388 2.792 3.614     .  0 0 "[    .    1    .    2]" 1 
       1205 1  56 GLN HE22 1  86 TYR HA   . . 4.520 3.281 2.823 3.571     .  0 0 "[    .    1    .    2]" 1 
       1206 1  56 GLN HE22 1  86 TYR HB2  . . 4.520 3.207 2.873 3.569     .  0 0 "[    .    1    .    2]" 1 
       1207 1  56 GLN HE22 1  86 TYR HB3  . . 5.090 4.792 4.435 5.082     .  0 0 "[    .    1    .    2]" 1 
       1208 1  56 GLN HG2  1  57 PRO QD   . . 4.610 3.774 3.508 4.211     .  0 0 "[    .    1    .    2]" 1 
       1209 1  56 GLN HG2  1  58 GLY QA   . . 4.420 3.897 3.223 4.154     .  0 0 "[    .    1    .    2]" 1 
       1210 1  56 GLN HG2  1  59 SER H    . . 4.330 2.946 2.331 3.203     .  0 0 "[    .    1    .    2]" 1 
       1211 1  56 GLN HG2  1  59 SER HA   . . 4.470 3.063 2.863 3.405     .  0 0 "[    .    1    .    2]" 1 
       1212 1  56 GLN HG2  1  59 SER QB   . . 4.920 3.737 3.364 3.959     .  0 0 "[    .    1    .    2]" 1 
       1213 1  56 GLN HG2  1  59 SER HG   . . 4.050 2.204 1.995 2.487     .  0 0 "[    .    1    .    2]" 1 
       1214 1  56 GLN HG3  1  58 GLY QA   . . 4.840 4.442 3.555 4.779     .  0 0 "[    .    1    .    2]" 1 
       1215 1  56 GLN HG3  1  59 SER H    . . 4.690 4.447 3.796 4.692 0.002 14 0 "[    .    1    .    2]" 1 
       1216 1  56 GLN HG3  1  59 SER HA   . . 4.990 4.676 4.505 4.977     .  0 0 "[    .    1    .    2]" 1 
       1217 1  56 GLN HG3  1  59 SER HG   . . 4.220 3.760 3.609 3.994     .  0 0 "[    .    1    .    2]" 1 
       1218 1  56 GLN HG3  1  86 TYR QD   . . 4.670 4.227 4.041 4.454     .  0 0 "[    .    1    .    2]" 1 
       1219 1  56 GLN HG3  1  86 TYR QE   . . 5.430 4.893 4.554 5.197     .  0 0 "[    .    1    .    2]" 1 
       1220 1  57 PRO HA   1  59 SER H    . . 4.180 4.038 3.738 4.186 0.006 14 0 "[    .    1    .    2]" 1 
       1221 1  58 GLY H    1  59 SER H    . . 3.810 2.020 1.807 3.002     .  0 0 "[    .    1    .    2]" 1 
       1222 1  58 GLY H    1  60 VAL H    . . 5.400 4.446 3.946 5.405 0.005  3 0 "[    .    1    .    2]" 1 
       1223 1  59 SER H    1  59 SER QB   . . 3.260 2.548 2.306 2.789     .  0 0 "[    .    1    .    2]" 1 
       1224 1  59 SER H    1  59 SER HG   . . 3.220 2.081 1.900 2.780     .  0 0 "[    .    1    .    2]" 1 
       1225 1  59 SER H    1  60 VAL H    . . 3.240 2.857 2.410 3.218     .  0 0 "[    .    1    .    2]" 1 
       1226 1  59 SER H    1  60 VAL MG2  . . 4.890 4.570 4.222 4.807     .  0 0 "[    .    1    .    2]" 1 
       1227 1  59 SER H    1  82 ALA MB   . . 5.010 4.903 4.631 5.008     .  0 0 "[    .    1    .    2]" 1 
       1228 1  59 SER QB   1  60 VAL H    . . 3.470 2.078 1.896 2.294     .  0 0 "[    .    1    .    2]" 1 
       1229 1  59 SER QB   1  60 VAL MG2  . . 3.330 2.496 2.263 2.692     .  0 0 "[    .    1    .    2]" 1 
       1230 1  59 SER HB2  1  60 VAL H    . . 4.120 2.103 1.916 2.332     .  0 0 "[    .    1    .    2]" 1 
       1231 1  59 SER HB2  1  60 VAL MG2  . . 3.930 2.710 2.330 2.953     .  0 0 "[    .    1    .    2]" 1 
       1232 1  59 SER HB2  1  82 ALA MB   . . 3.460 3.368 3.009 3.462 0.002  2 0 "[    .    1    .    2]" 1 
       1233 1  59 SER HB3  1  60 VAL H    . . 4.120 3.283 2.856 3.572     .  0 0 "[    .    1    .    2]" 1 
       1234 1  59 SER HB3  1  60 VAL MG2  . . 3.930 2.966 2.468 3.185     .  0 0 "[    .    1    .    2]" 1 
       1235 1  59 SER HB3  1  82 ALA MB   . . 3.460 2.040 1.825 2.253     .  0 0 "[    .    1    .    2]" 1 
       1236 1  59 SER HG   1  60 VAL H    . . 4.270 3.888 3.353 4.233     .  0 0 "[    .    1    .    2]" 1 
       1237 1  60 VAL H    1  60 VAL HB   . . 3.280 2.732 2.579 2.944     .  0 0 "[    .    1    .    2]" 1 
       1238 1  60 VAL H    1  60 VAL MG1  . . 4.030 3.868 3.828 3.965     .  0 0 "[    .    1    .    2]" 1 
       1239 1  60 VAL H    1  60 VAL MG2  . . 3.400 2.445 2.126 2.731     .  0 0 "[    .    1    .    2]" 1 
       1240 1  60 VAL H    1  82 ALA MB   . . 4.390 4.070 3.860 4.200     .  0 0 "[    .    1    .    2]" 1 
       1241 1  60 VAL HA   1  60 VAL MG1  . . 3.290 2.215 2.065 2.409     .  0 0 "[    .    1    .    2]" 1 
       1242 1  60 VAL HA   1  60 VAL MG2  . . 3.460 2.478 2.349 2.615     .  0 0 "[    .    1    .    2]" 1 
       1243 1  60 VAL HB   1  63 ILE MD   . . 4.140 3.128 2.502 3.878     .  0 0 "[    .    1    .    2]" 1 
       1244 1  60 VAL MG1  1  61 LYS H    . . 3.400 2.683 1.952 3.391     .  0 0 "[    .    1    .    2]" 1 
       1245 1  60 VAL MG1  1  62 LYS H    . . 3.730 2.712 2.184 3.365     .  0 0 "[    .    1    .    2]" 1 
       1246 1  60 VAL MG1  1  62 LYS HA   . . 4.570 3.988 3.418 4.542     .  0 0 "[    .    1    .    2]" 1 
       1247 1  60 VAL MG1  1  63 ILE HA   . . 4.160 3.475 2.989 3.899     .  0 0 "[    .    1    .    2]" 1 
       1248 1  60 VAL MG1  1  63 ILE HG12 . . 3.560 2.595 1.986 3.156     .  0 0 "[    .    1    .    2]" 1 
       1249 1  60 VAL MG1  1  78 ASN H    . . 5.080 4.518 4.233 4.934     .  0 0 "[    .    1    .    2]" 1 
       1250 1  60 VAL MG1  1  78 ASN HB2  . . 3.510 2.327 2.028 2.844     .  0 0 "[    .    1    .    2]" 1 
       1251 1  60 VAL MG1  1  78 ASN HB3  . . 3.510 2.186 1.877 3.030     .  0 0 "[    .    1    .    2]" 1 
       1252 1  60 VAL MG1  1  78 ASN HD21 . . 4.340 2.669 2.041 3.906     .  0 0 "[    .    1    .    2]" 1 
       1253 1  60 VAL MG1  1  78 ASN QD   . . 3.790 2.557 2.024 3.631     .  0 0 "[    .    1    .    2]" 1 
       1254 1  60 VAL MG1  1  78 ASN HD22 . . 4.340 3.602 2.484 4.338     .  0 0 "[    .    1    .    2]" 1 
       1255 1  60 VAL MG2  1  61 LYS H    . . 4.590 4.144 3.408 4.381     .  0 0 "[    .    1    .    2]" 1 
       1256 1  60 VAL MG2  1  78 ASN H    . . 5.230 5.079 4.715 5.231 0.001 13 0 "[    .    1    .    2]" 1 
       1257 1  60 VAL MG2  1  78 ASN QB   . . 3.420 2.707 2.186 3.106     .  0 0 "[    .    1    .    2]" 1 
       1258 1  60 VAL MG2  1  79 PHE H    . . 4.370 3.718 3.473 3.881     .  0 0 "[    .    1    .    2]" 1 
       1259 1  60 VAL MG2  1  79 PHE HA   . . 3.810 2.828 2.692 2.987     .  0 0 "[    .    1    .    2]" 1 
       1260 1  60 VAL MG2  1  79 PHE QD   . . 4.480 3.877 3.646 4.209     .  0 0 "[    .    1    .    2]" 1 
       1261 1  60 VAL MG2  1  82 ALA H    . . 4.520 4.348 4.179 4.473     .  0 0 "[    .    1    .    2]" 1 
       1262 1  60 VAL MG2  1  82 ALA MB   . . 3.130 2.455 2.312 2.694     .  0 0 "[    .    1    .    2]" 1 
       1263 1  61 LYS H    1  61 LYS QB   . . 3.480 2.271 2.118 2.987     .  0 0 "[    .    1    .    2]" 1 
       1264 1  61 LYS HA   1  61 LYS QD   . . 4.110 2.828 1.998 4.080     .  0 0 "[    .    1    .    2]" 1 
       1265 1  61 LYS HA   1  61 LYS QE   . . 4.130 3.495 1.863 4.120     .  0 0 "[    .    1    .    2]" 1 
       1266 1  61 LYS HA   1  61 LYS QG   . . 3.570 2.464 2.150 2.890     .  0 0 "[    .    1    .    2]" 1 
       1267 1  61 LYS QB   1  62 LYS H    . . 3.820 2.217 1.890 3.768     .  0 0 "[    .    1    .    2]" 1 
       1268 1  62 LYS H    1  62 LYS QB   . . 3.670 2.720 2.453 3.047     .  0 0 "[    .    1    .    2]" 1 
       1269 1  62 LYS H    1  62 LYS HG2  . . 5.040 4.191 2.260 4.959     .  0 0 "[    .    1    .    2]" 1 
       1270 1  62 LYS H    1  62 LYS QG   . . 4.350 3.782 2.241 4.234     .  0 0 "[    .    1    .    2]" 1 
       1271 1  62 LYS H    1  62 LYS HG3  . . 5.040 4.498 3.649 4.979     .  0 0 "[    .    1    .    2]" 1 
       1272 1  62 LYS H    1  63 ILE H    . . 4.500 4.359 3.674 4.461     .  0 0 "[    .    1    .    2]" 1 
       1273 1  62 LYS HA   1  62 LYS QD   . . 4.760 4.024 2.260 4.429     .  0 0 "[    .    1    .    2]" 1 
       1274 1  62 LYS HA   1  62 LYS QG   . . 3.600 2.587 2.155 3.392     .  0 0 "[    .    1    .    2]" 1 
       1275 1  62 LYS HA   1  63 ILE H    . . 2.850 2.287 2.157 2.423     .  0 0 "[    .    1    .    2]" 1 
       1276 1  62 LYS HA   1  63 ILE HB   . . 5.460 4.625 4.497 4.827     .  0 0 "[    .    1    .    2]" 1 
       1277 1  62 LYS QB   1  63 ILE H    . . 4.390 3.267 2.462 3.923     .  0 0 "[    .    1    .    2]" 1 
       1278 1  62 LYS HB2  1  63 ILE H    . . 5.010 3.771 2.491 4.451     .  0 0 "[    .    1    .    2]" 1 
       1279 1  62 LYS HB3  1  63 ILE H    . . 5.010 3.793 3.033 4.359     .  0 0 "[    .    1    .    2]" 1 
       1280 1  62 LYS QG   1  63 ILE H    . . 3.760 2.566 1.918 3.548     .  0 0 "[    .    1    .    2]" 1 
       1281 1  62 LYS HG2  1  63 ILE H    . . 4.310 2.991 1.964 4.309     .  0 0 "[    .    1    .    2]" 1 
       1282 1  62 LYS HG3  1  63 ILE H    . . 4.310 3.010 2.038 4.299     .  0 0 "[    .    1    .    2]" 1 
       1283 1  63 ILE H    1  63 ILE HB   . . 3.200 2.704 2.535 2.878     .  0 0 "[    .    1    .    2]" 1 
       1284 1  63 ILE H    1  63 ILE MD   . . 4.360 3.870 3.479 4.053     .  0 0 "[    .    1    .    2]" 1 
       1285 1  63 ILE H    1  63 ILE HG12 . . 4.370 4.045 3.500 4.270     .  0 0 "[    .    1    .    2]" 1 
       1286 1  63 ILE H    1  63 ILE HG13 . . 3.630 2.779 2.114 3.024     .  0 0 "[    .    1    .    2]" 1 
       1287 1  63 ILE H    1  63 ILE MG   . . 4.380 3.871 3.804 3.943     .  0 0 "[    .    1    .    2]" 1 
       1288 1  63 ILE H    1  64 ASN H    . . 4.770 4.345 4.081 4.538     .  0 0 "[    .    1    .    2]" 1 
       1289 1  63 ILE HA   1  63 ILE MD   . . 4.140 3.885 3.841 3.926     .  0 0 "[    .    1    .    2]" 1 
       1290 1  63 ILE HA   1  63 ILE HG13 . . 3.880 2.912 2.764 3.038     .  0 0 "[    .    1    .    2]" 1 
       1291 1  63 ILE HA   1  63 ILE MG   . . 3.340 2.360 2.235 2.453     .  0 0 "[    .    1    .    2]" 1 
       1292 1  63 ILE HA   1  64 ASN H    . . 3.000 2.184 2.140 2.318     .  0 0 "[    .    1    .    2]" 1 
       1293 1  63 ILE HB   1  63 ILE MD   . . 3.250 2.296 2.162 2.403     .  0 0 "[    .    1    .    2]" 1 
       1294 1  63 ILE HB   1  64 ASN H    . . 4.540 4.081 3.650 4.364     .  0 0 "[    .    1    .    2]" 1 
       1295 1  63 ILE HG12 1  63 ILE MG   . . 3.450 2.254 2.187 2.310     .  0 0 "[    .    1    .    2]" 1 
       1296 1  63 ILE HG12 1  64 ASN H    . . 4.680 4.446 4.250 4.675     .  0 0 "[    .    1    .    2]" 1 
       1297 1  63 ILE HG13 1  63 ILE MG   . . 3.480 3.182 3.162 3.195     .  0 0 "[    .    1    .    2]" 1 
       1298 1  63 ILE HG13 1  64 ASN H    . . 5.010 4.934 4.791 5.017 0.007 14 0 "[    .    1    .    2]" 1 
       1299 1  63 ILE MG   1  64 ASN H    . . 3.430 2.417 1.941 3.017     .  0 0 "[    .    1    .    2]" 1 
       1300 1  63 ILE MG   1  75 ASN QD   . . 3.830 2.705 2.064 3.382     .  0 0 "[    .    1    .    2]" 1 
       1301 1  64 ASN H    1  64 ASN HB2  . . 3.860 2.643 2.244 3.519     .  0 0 "[    .    1    .    2]" 1 
       1302 1  64 ASN H    1  64 ASN QB   . . 3.300 2.553 2.220 2.833     .  0 0 "[    .    1    .    2]" 1 
       1303 1  64 ASN H    1  64 ASN HB3  . . 3.860 3.589 2.987 3.720     .  0 0 "[    .    1    .    2]" 1 
       1304 1  64 ASN H    1  64 ASN QD   . . 4.110 3.513 2.966 3.997     .  0 0 "[    .    1    .    2]" 1 
       1305 1  64 ASN H    1  75 ASN QD   . . 3.510 3.005 2.282 3.435     .  0 0 "[    .    1    .    2]" 1 
       1306 1  64 ASN QB   1  66 SER QB   . . 4.010 3.621 2.838 4.009     .  0 0 "[    .    1    .    2]" 1 
       1307 1  64 ASN QB   1  71 HIS QB   . . 3.520 2.232 1.848 3.091     .  0 0 "[    .    1    .    2]" 1 
       1308 1  64 ASN QB   1  75 ASN QD   . . 4.120 2.627 1.877 3.744     .  0 0 "[    .    1    .    2]" 1 
       1309 1  64 ASN HB2  1  71 HIS HB2  . . 4.950 3.667 2.003 4.952 0.002 11 0 "[    .    1    .    2]" 1 
       1310 1  64 ASN HB2  1  71 HIS HB3  . . 4.950 3.148 2.101 4.781     .  0 0 "[    .    1    .    2]" 1 
       1311 1  64 ASN HB3  1  71 HIS HB2  . . 4.950 3.655 2.371 4.885     .  0 0 "[    .    1    .    2]" 1 
       1312 1  64 ASN HB3  1  71 HIS HB3  . . 4.950 3.085 2.000 4.924     .  0 0 "[    .    1    .    2]" 1 
       1313 1  64 ASN QD   1  71 HIS QB   . . 4.540 2.871 1.885 3.571     .  0 0 "[    .    1    .    2]" 1 
       1314 1  64 ASN QD   1  74 GLU H    . . 4.970 4.262 3.583 4.865     .  0 0 "[    .    1    .    2]" 1 
       1315 1  64 ASN QD   1  74 GLU QB   . . 3.300 2.222 1.828 2.782     .  0 0 "[    .    1    .    2]" 1 
       1316 1  64 ASN QD   1  74 GLU QG   . . 4.090 2.606 1.789 3.671     .  0 0 "[    .    1    .    2]" 1 
       1317 1  64 ASN QD   1  75 ASN H    . . 4.340 3.898 3.204 4.320     .  0 0 "[    .    1    .    2]" 1 
       1318 1  64 ASN HD21 1  71 HIS HA   . . 4.080 2.573 2.056 3.423     .  0 0 "[    .    1    .    2]" 1 
       1319 1  64 ASN HD21 1  74 GLU HB2  . . 4.680 3.619 2.783 4.640     .  0 0 "[    .    1    .    2]" 1 
       1320 1  64 ASN HD21 1  74 GLU HB3  . . 4.680 2.587 1.903 3.457     .  0 0 "[    .    1    .    2]" 1 
       1321 1  64 ASN HD22 1  71 HIS HA   . . 4.080 3.716 2.933 4.018     .  0 0 "[    .    1    .    2]" 1 
       1322 1  64 ASN HD22 1  74 GLU HB2  . . 4.680 3.665 2.554 4.376     .  0 0 "[    .    1    .    2]" 1 
       1323 1  64 ASN HD22 1  74 GLU HB3  . . 4.680 2.792 1.941 3.802     .  0 0 "[    .    1    .    2]" 1 
       1324 1  65 GLU HA   1  65 GLU QG   . . 3.590 2.431 2.196 2.902     .  0 0 "[    .    1    .    2]" 1 
       1325 1  65 GLU HA   1  66 SER H    . . 3.490 2.405 2.144 2.899     .  0 0 "[    .    1    .    2]" 1 
       1326 1  65 GLU QB   1  66 SER H    . . 4.380 3.843 3.491 4.044     .  0 0 "[    .    1    .    2]" 1 
       1327 1  66 SER H    1  66 SER HB2  . . 4.060 3.030 2.251 3.876     .  0 0 "[    .    1    .    2]" 1 
       1328 1  66 SER H    1  66 SER QB   . . 3.500 2.696 2.225 3.044     .  0 0 "[    .    1    .    2]" 1 
       1329 1  66 SER H    1  66 SER HB3  . . 4.060 3.233 2.651 3.921     .  0 0 "[    .    1    .    2]" 1 
       1330 1  66 SER QB   1  71 HIS QB   . . 3.400 2.813 1.956 3.394     .  0 0 "[    .    1    .    2]" 1 
       1331 1  66 SER HB2  1  71 HIS HB2  . . 4.740 4.009 2.770 4.735     .  0 0 "[    .    1    .    2]" 1 
       1332 1  66 SER HB2  1  71 HIS HB3  . . 4.740 3.869 1.993 4.735     .  0 0 "[    .    1    .    2]" 1 
       1333 1  66 SER HB3  1  71 HIS HB2  . . 4.740 3.775 2.338 4.772 0.032 14 0 "[    .    1    .    2]" 1 
       1334 1  66 SER HB3  1  71 HIS HB3  . . 4.740 3.702 2.503 4.682     .  0 0 "[    .    1    .    2]" 1 
       1335 1  67 THR H    1  67 THR MG   . . 4.300 2.643 1.866 3.928     .  0 0 "[    .    1    .    2]" 1 
       1336 1  67 THR H    1  68 GLN H    . . 4.750 2.486 2.099 2.959     .  0 0 "[    .    1    .    2]" 1 
       1337 1  67 THR HA   1  67 THR MG   . . 3.230 2.804 2.261 3.207     .  0 0 "[    .    1    .    2]" 1 
       1338 1  67 THR HA   1  72 GLN HE21 . . 4.230 3.037 2.062 3.838     .  0 0 "[    .    1    .    2]" 1 
       1339 1  67 THR HA   1  72 GLN QE   . . 3.530 2.866 1.979 3.520     .  0 0 "[    .    1    .    2]" 1 
       1340 1  67 THR HA   1  72 GLN HE22 . . 4.230 3.725 2.547 4.230 0.000 20 0 "[    .    1    .    2]" 1 
       1341 1  67 THR MG   1  68 GLN H    . . 4.130 3.310 2.139 4.150 0.020 20 0 "[    .    1    .    2]" 1 
       1342 1  68 GLN H    1  68 GLN QB   . . 3.450 2.322 2.162 2.714     .  0 0 "[    .    1    .    2]" 1 
       1343 1  68 GLN H    1  68 GLN QG   . . 3.680 2.947 2.244 3.541     .  0 0 "[    .    1    .    2]" 1 
       1344 1  68 GLN HA   1  68 GLN QG   . . 3.560 2.529 2.192 3.318     .  0 0 "[    .    1    .    2]" 1 
       1345 1  68 GLN HA   1  70 TRP HD1  . . 5.420 4.760 3.848 5.421 0.001 12 0 "[    .    1    .    2]" 1 
       1346 1  68 GLN QB   1  70 TRP H    . . 4.100 3.124 2.325 3.760     .  0 0 "[    .    1    .    2]" 1 
       1347 1  68 GLN QB   1  70 TRP HD1  . . 4.020 2.425 2.032 2.882     .  0 0 "[    .    1    .    2]" 1 
       1348 1  68 GLN QB   1  70 TRP HE1  . . 4.290 3.568 2.160 4.292 0.002 15 0 "[    .    1    .    2]" 1 
       1349 1  68 GLN QB   1  71 HIS H    . . 4.260 2.848 2.201 4.088     .  0 0 "[    .    1    .    2]" 1 
       1350 1  68 GLN QB   1  71 HIS QB   . . 4.590 2.907 1.912 4.596 0.006 20 0 "[    .    1    .    2]" 1 
       1351 1  68 GLN QG   1  70 TRP HE1  . . 4.310 3.477 1.921 4.311 0.001  5 0 "[    .    1    .    2]" 1 
       1352 1  69 ASN HA   1  69 ASN QD   . . 4.630 3.290 1.892 4.281     .  0 0 "[    .    1    .    2]" 1 
       1353 1  69 ASN HA   1  72 GLN QB   . . 4.520 2.544 2.273 2.965     .  0 0 "[    .    1    .    2]" 1 
       1354 1  69 ASN HA   1  72 GLN HG2  . . 5.070 4.511 2.706 5.085 0.015 14 0 "[    .    1    .    2]" 1 
       1355 1  69 ASN HA   1  72 GLN QG   . . 4.400 3.379 2.533 4.231     .  0 0 "[    .    1    .    2]" 1 
       1356 1  69 ASN HA   1  72 GLN HG3  . . 5.070 3.577 2.611 4.950     .  0 0 "[    .    1    .    2]" 1 
       1357 1  69 ASN HA   1 100 PHE QE   . . 4.360 3.225 2.795 3.565     .  0 0 "[    .    1    .    2]" 1 
       1358 1  69 ASN HA   1 100 PHE HZ   . . 3.790 3.041 2.088 3.725     .  0 0 "[    .    1    .    2]" 1 
       1359 1  69 ASN QB   1  70 TRP H    . . 3.730 2.581 1.892 3.562     .  0 0 "[    .    1    .    2]" 1 
       1360 1  69 ASN QB   1  73 LEU MD1  . . 4.010 3.513 2.691 4.026 0.016 14 0 "[    .    1    .    2]" 1 
       1361 1  69 ASN QB   1 100 PHE QE   . . 4.410 3.174 2.592 4.131     .  0 0 "[    .    1    .    2]" 1 
       1362 1  69 ASN QB   1 100 PHE HZ   . . 4.010 2.128 1.905 3.124     .  0 0 "[    .    1    .    2]" 1 
       1363 1  69 ASN HB2  1  73 LEU MD1  . . 4.740 4.138 2.728 4.691     .  0 0 "[    .    1    .    2]" 1 
       1364 1  69 ASN HB2  1 100 PHE HZ   . . 4.600 3.182 2.041 4.170     .  0 0 "[    .    1    .    2]" 1 
       1365 1  69 ASN HB3  1  73 LEU MD1  . . 4.740 4.059 3.161 4.681     .  0 0 "[    .    1    .    2]" 1 
       1366 1  69 ASN HB3  1 100 PHE HZ   . . 4.600 2.259 2.000 4.418     .  0 0 "[    .    1    .    2]" 1 
       1367 1  70 TRP H    1  70 TRP HB2  . . 3.770 3.098 2.711 3.586     .  0 0 "[    .    1    .    2]" 1 
       1368 1  70 TRP H    1  70 TRP QB   . . 3.280 2.791 2.633 2.876     .  0 0 "[    .    1    .    2]" 1 
       1369 1  70 TRP H    1  70 TRP HB3  . . 3.770 3.372 2.858 3.722     .  0 0 "[    .    1    .    2]" 1 
       1370 1  70 TRP H    1  70 TRP HD1  . . 4.140 3.128 2.595 3.979     .  0 0 "[    .    1    .    2]" 1 
       1371 1  70 TRP H    1  70 TRP HE3  . . 4.330 3.846 2.725 4.332 0.002 20 0 "[    .    1    .    2]" 1 
       1372 1  70 TRP H    1  71 HIS H    . . 3.950 2.968 2.390 3.306     .  0 0 "[    .    1    .    2]" 1 
       1373 1  70 TRP HA   1  70 TRP HE3  . . 4.530 3.077 2.431 4.145     .  0 0 "[    .    1    .    2]" 1 
       1374 1  70 TRP HA   1  73 LEU H    . . 3.910 3.757 3.438 3.911 0.001  9 0 "[    .    1    .    2]" 1 
       1375 1  70 TRP HA   1  73 LEU HB2  . . 3.760 3.042 2.661 3.182     .  0 0 "[    .    1    .    2]" 1 
       1376 1  70 TRP HA   1  73 LEU HB3  . . 4.750 4.575 4.036 4.766 0.016 14 0 "[    .    1    .    2]" 1 
       1377 1  70 TRP HA   1  73 LEU MD1  . . 3.770 2.848 2.006 3.427     .  0 0 "[    .    1    .    2]" 1 
       1378 1  70 TRP HA   1  74 GLU H    . . 5.020 4.502 3.708 4.966     .  0 0 "[    .    1    .    2]" 1 
       1379 1  70 TRP QB   1  70 TRP HE3  . . 3.640 2.649 2.442 2.854     .  0 0 "[    .    1    .    2]" 1 
       1380 1  70 TRP HE3  1  73 LEU MD1  . . 5.120 4.115 3.105 5.120 0.000 12 0 "[    .    1    .    2]" 1 
       1381 1  71 HIS H    1  71 HIS QB   . . 3.600 2.294 2.138 2.570     .  0 0 "[    .    1    .    2]" 1 
       1382 1  71 HIS H    1  72 GLN H    . . 3.640 2.771 2.556 3.063     .  0 0 "[    .    1    .    2]" 1 
       1383 1  71 HIS HA   1  71 HIS HD2  . . 4.250 3.270 2.098 4.255 0.005 16 0 "[    .    1    .    2]" 1 
       1384 1  71 HIS HA   1  74 GLU H    . . 4.530 3.528 3.164 3.938     .  0 0 "[    .    1    .    2]" 1 
       1385 1  71 HIS HA   1  74 GLU QB   . . 3.770 2.843 2.386 3.524     .  0 0 "[    .    1    .    2]" 1 
       1386 1  71 HIS QB   1  72 GLN H    . . 3.700 2.770 2.262 3.564     .  0 0 "[    .    1    .    2]" 1 
       1387 1  71 HIS QB   1  72 GLN HA   . . 5.340 4.054 3.705 4.697     .  0 0 "[    .    1    .    2]" 1 
       1388 1  71 HIS QB   1  72 GLN QG   . . 5.180 3.877 3.290 4.616     .  0 0 "[    .    1    .    2]" 1 
       1389 1  72 GLN H    1  72 GLN HB2  . . 3.770 2.369 2.260 2.529     .  0 0 "[    .    1    .    2]" 1 
       1390 1  72 GLN H    1  72 GLN QB   . . 3.300 2.336 2.236 2.481     .  0 0 "[    .    1    .    2]" 1 
       1391 1  72 GLN H    1  72 GLN HB3  . . 3.770 3.571 3.540 3.594     .  0 0 "[    .    1    .    2]" 1 
       1392 1  72 GLN H    1  72 GLN QE   . . 5.120 4.535 3.519 5.120     . 13 0 "[    .    1    .    2]" 1 
       1393 1  72 GLN H    1  72 GLN QG   . . 3.460 2.509 2.126 3.427     .  0 0 "[    .    1    .    2]" 1 
       1394 1  72 GLN H    1  73 LEU H    . . 3.590 2.835 2.458 3.016     .  0 0 "[    .    1    .    2]" 1 
       1395 1  72 GLN H    1  73 LEU HB2  . . 4.860 4.697 4.323 4.863 0.003  5 0 "[    .    1    .    2]" 1 
       1396 1  72 GLN H    1  74 GLU H    . . 4.670 4.344 3.960 4.635     .  0 0 "[    .    1    .    2]" 1 
       1397 1  72 GLN HA   1  72 GLN HG2  . . 3.940 2.616 2.177 3.626     .  0 0 "[    .    1    .    2]" 1 
       1398 1  72 GLN HA   1  72 GLN HG3  . . 3.940 2.911 2.422 3.765     .  0 0 "[    .    1    .    2]" 1 
       1399 1  72 GLN HA   1  75 ASN H    . . 4.590 3.659 3.310 3.988     .  0 0 "[    .    1    .    2]" 1 
       1400 1  72 GLN HA   1  75 ASN HB2  . . 4.340 3.152 2.819 3.697     .  0 0 "[    .    1    .    2]" 1 
       1401 1  72 GLN HA   1  75 ASN HB3  . . 4.940 4.635 4.339 4.853     .  0 0 "[    .    1    .    2]" 1 
       1402 1  72 GLN HA   1  75 ASN QD   . . 3.860 2.545 1.903 3.378     .  0 0 "[    .    1    .    2]" 1 
       1403 1  72 GLN QB   1  73 LEU H    . . 3.510 2.524 2.062 2.917     .  0 0 "[    .    1    .    2]" 1 
       1404 1  72 GLN QB   1  75 ASN QD   . . 5.340 4.284 3.255 5.226     .  0 0 "[    .    1    .    2]" 1 
       1405 1  72 GLN QB   1 100 PHE QD   . . 4.880 3.251 2.531 3.657     .  0 0 "[    .    1    .    2]" 1 
       1406 1  72 GLN QB   1 100 PHE QE   . . 3.680 2.222 1.872 2.740     .  0 0 "[    .    1    .    2]" 1 
       1407 1  72 GLN HB2  1  73 LEU H    . . 4.030 2.614 2.092 3.049     .  0 0 "[    .    1    .    2]" 1 
       1408 1  72 GLN HB2  1 100 PHE QE   . . 4.220 2.468 2.035 3.075     .  0 0 "[    .    1    .    2]" 1 
       1409 1  72 GLN HB3  1  73 LEU H    . . 4.030 3.363 2.996 3.723     .  0 0 "[    .    1    .    2]" 1 
       1410 1  72 GLN HB3  1 100 PHE QE   . . 4.220 2.638 2.067 3.108     .  0 0 "[    .    1    .    2]" 1 
       1411 1  72 GLN QG   1  73 LEU H    . . 4.780 4.212 3.845 4.429     .  0 0 "[    .    1    .    2]" 1 
       1412 1  73 LEU H    1  73 LEU HB2  . . 3.390 2.210 2.161 2.320     .  0 0 "[    .    1    .    2]" 1 
       1413 1  73 LEU H    1  73 LEU HB3  . . 3.690 3.507 3.478 3.555     .  0 0 "[    .    1    .    2]" 1 
       1414 1  73 LEU H    1  73 LEU MD1  . . 3.920 3.529 3.256 3.749     .  0 0 "[    .    1    .    2]" 1 
       1415 1  73 LEU H    1  73 LEU MD2  . . 4.250 4.016 3.759 4.254 0.004 14 0 "[    .    1    .    2]" 1 
       1416 1  73 LEU H    1  73 LEU HG   . . 3.570 2.913 2.623 3.319     .  0 0 "[    .    1    .    2]" 1 
       1417 1  73 LEU H    1  74 GLU H    . . 3.450 2.768 2.210 2.968     .  0 0 "[    .    1    .    2]" 1 
       1418 1  73 LEU H    1  74 GLU HA   . . 5.490 5.338 4.900 5.491 0.001 11 0 "[    .    1    .    2]" 1 
       1419 1  73 LEU H    1  74 GLU QB   . . 4.880 4.457 4.016 4.682     .  0 0 "[    .    1    .    2]" 1 
       1420 1  73 LEU HA   1  73 LEU MD1  . . 4.070 3.812 3.790 3.846     .  0 0 "[    .    1    .    2]" 1 
       1421 1  73 LEU HA   1  73 LEU MD2  . . 3.170 2.298 1.998 2.558     .  0 0 "[    .    1    .    2]" 1 
       1422 1  73 LEU HA   1  73 LEU HG   . . 4.000 2.610 2.497 2.759     .  0 0 "[    .    1    .    2]" 1 
       1423 1  73 LEU HA   1  76 ILE H    . . 4.420 3.719 3.434 4.274     .  0 0 "[    .    1    .    2]" 1 
       1424 1  73 LEU HA   1  76 ILE HB   . . 3.650 3.223 2.963 3.451     .  0 0 "[    .    1    .    2]" 1 
       1425 1  73 LEU HA   1  76 ILE MD   . . 3.730 3.129 2.698 3.484     .  0 0 "[    .    1    .    2]" 1 
       1426 1  73 LEU HA   1  76 ILE MG   . . 4.770 4.535 4.351 4.770     .  0 0 "[    .    1    .    2]" 1 
       1427 1  73 LEU HA   1  96 ALA MB   . . 4.570 4.141 3.559 4.473     .  0 0 "[    .    1    .    2]" 1 
       1428 1  73 LEU HB2  1  73 LEU MD1  . . 3.350 2.157 2.005 2.347     .  0 0 "[    .    1    .    2]" 1 
       1429 1  73 LEU HB2  1  74 GLU H    . . 3.780 2.694 2.448 3.005     .  0 0 "[    .    1    .    2]" 1 
       1430 1  73 LEU HB3  1  73 LEU MD1  . . 3.370 2.525 2.342 2.674     .  0 0 "[    .    1    .    2]" 1 
       1431 1  73 LEU HB3  1  73 LEU MD2  . . 3.120 2.199 2.034 2.322     .  0 0 "[    .    1    .    2]" 1 
       1432 1  73 LEU HB3  1  74 GLU H    . . 3.960 3.170 2.841 3.494     .  0 0 "[    .    1    .    2]" 1 
       1433 1  73 LEU MD1  1  96 ALA MB   . . 4.770 4.612 4.336 4.774 0.004 14 0 "[    .    1    .    2]" 1 
       1434 1  73 LEU MD1  1 100 PHE QB   . . 4.620 4.296 3.923 4.618     .  0 0 "[    .    1    .    2]" 1 
       1435 1  73 LEU MD2  1  74 GLU H    . . 4.860 4.625 4.457 4.801     .  0 0 "[    .    1    .    2]" 1 
       1436 1  73 LEU MD2  1  76 ILE HB   . . 4.040 3.768 3.303 4.050 0.010 14 0 "[    .    1    .    2]" 1 
       1437 1  73 LEU MD2  1  76 ILE MD   . . 3.650 3.313 2.920 3.556     .  0 0 "[    .    1    .    2]" 1 
       1438 1  73 LEU MD2  1  96 ALA HA   . . 4.880 4.323 4.080 4.503     .  0 0 "[    .    1    .    2]" 1 
       1439 1  73 LEU MD2  1  96 ALA MB   . . 3.240 2.576 2.294 2.774     .  0 0 "[    .    1    .    2]" 1 
       1440 1  73 LEU MD2  1  97 ASN HA   . . 4.290 3.810 3.238 4.246     .  0 0 "[    .    1    .    2]" 1 
       1441 1  73 LEU MD2  1 100 PHE H    . . 4.710 4.462 4.064 4.703     .  0 0 "[    .    1    .    2]" 1 
       1442 1  73 LEU MD2  1 100 PHE HA   . . 5.330 4.546 4.185 5.047     .  0 0 "[    .    1    .    2]" 1 
       1443 1  73 LEU MD2  1 100 PHE QB   . . 3.420 2.431 2.031 2.794     .  0 0 "[    .    1    .    2]" 1 
       1444 1  73 LEU MD2  1 100 PHE QD   . . 3.880 2.451 2.020 3.016     .  0 0 "[    .    1    .    2]" 1 
       1445 1  73 LEU MD2  1 100 PHE QE   . . 4.440 3.336 2.989 3.836     .  0 0 "[    .    1    .    2]" 1 
       1446 1  73 LEU HG   1  96 ALA MB   . . 5.270 5.007 4.721 5.249     .  0 0 "[    .    1    .    2]" 1 
       1447 1  73 LEU HG   1 100 PHE QB   . . 4.920 3.775 3.296 4.207     .  0 0 "[    .    1    .    2]" 1 
       1448 1  73 LEU HG   1 100 PHE QD   . . 4.720 3.263 2.984 3.570     .  0 0 "[    .    1    .    2]" 1 
       1449 1  74 GLU H    1  74 GLU HB2  . . 3.690 2.358 2.217 2.580     .  0 0 "[    .    1    .    2]" 1 
       1450 1  74 GLU H    1  74 GLU QB   . . 2.910 2.209 2.154 2.262     .  0 0 "[    .    1    .    2]" 1 
       1451 1  74 GLU H    1  74 GLU HB3  . . 3.690 2.725 2.489 2.935     .  0 0 "[    .    1    .    2]" 1 
       1452 1  74 GLU H    1  74 GLU HG2  . . 4.680 4.569 4.402 4.654     .  0 0 "[    .    1    .    2]" 1 
       1453 1  74 GLU H    1  74 GLU HG3  . . 4.680 4.420 4.178 4.597     .  0 0 "[    .    1    .    2]" 1 
       1454 1  74 GLU H    1  75 ASN H    . . 3.560 2.804 2.528 3.015     .  0 0 "[    .    1    .    2]" 1 
       1455 1  74 GLU H    1  76 ILE H    . . 4.860 4.717 4.266 4.860     .  0 0 "[    .    1    .    2]" 1 
       1456 1  74 GLU HA   1  74 GLU HG2  . . 3.840 3.366 2.435 3.833     .  0 0 "[    .    1    .    2]" 1 
       1457 1  74 GLU HA   1  74 GLU QG   . . 3.250 2.567 2.170 3.032     .  0 0 "[    .    1    .    2]" 1 
       1458 1  74 GLU HA   1  74 GLU HG3  . . 3.840 2.769 2.207 3.578     .  0 0 "[    .    1    .    2]" 1 
       1459 1  74 GLU HA   1  77 GLY H    . . 4.230 3.709 3.404 3.916     .  0 0 "[    .    1    .    2]" 1 
       1460 1  74 GLU QB   1  75 ASN H    . . 3.370 2.552 2.005 2.752     .  0 0 "[    .    1    .    2]" 1 
       1461 1  74 GLU QG   1  78 ASN QD   . . 3.500 2.681 2.065 3.408     .  0 0 "[    .    1    .    2]" 1 
       1462 1  75 ASN H    1  75 ASN HB2  . . 3.720 2.431 2.233 2.718     .  0 0 "[    .    1    .    2]" 1 
       1463 1  75 ASN H    1  75 ASN HB3  . . 3.990 3.577 3.524 3.600     .  0 0 "[    .    1    .    2]" 1 
       1464 1  75 ASN H    1  75 ASN QD   . . 4.010 3.498 2.649 3.853     .  0 0 "[    .    1    .    2]" 1 
       1465 1  75 ASN H    1  76 ILE H    . . 3.720 2.917 2.800 3.276     .  0 0 "[    .    1    .    2]" 1 
       1466 1  75 ASN H    1  77 GLY H    . . 4.810 4.044 3.734 4.477     .  0 0 "[    .    1    .    2]" 1 
       1467 1  75 ASN HA   1  78 ASN H    . . 4.060 3.548 3.264 3.951     .  0 0 "[    .    1    .    2]" 1 
       1468 1  75 ASN HA   1  78 ASN QB   . . 4.470 3.324 2.880 4.327     .  0 0 "[    .    1    .    2]" 1 
       1469 1  75 ASN HA   1  78 ASN HD21 . . 4.630 2.806 2.145 3.638     .  0 0 "[    .    1    .    2]" 1 
       1470 1  75 ASN HA   1  78 ASN HD22 . . 4.630 3.507 1.901 4.401     .  0 0 "[    .    1    .    2]" 1 
       1471 1  75 ASN HA   1  79 PHE H    . . 4.670 4.378 4.180 4.567     .  0 0 "[    .    1    .    2]" 1 
       1472 1  75 ASN HB2  1  76 ILE H    . . 3.630 2.259 2.075 2.546     .  0 0 "[    .    1    .    2]" 1 
       1473 1  75 ASN HB3  1  76 ILE H    . . 4.060 3.120 2.696 3.412     .  0 0 "[    .    1    .    2]" 1 
       1474 1  75 ASN QD   1  76 ILE H    . . 4.510 4.287 3.951 4.486     .  0 0 "[    .    1    .    2]" 1 
       1475 1  76 ILE H    1  76 ILE HB   . . 3.170 2.674 2.588 2.769     .  0 0 "[    .    1    .    2]" 1 
       1476 1  76 ILE H    1  76 ILE MD   . . 3.690 3.556 3.290 3.673     .  0 0 "[    .    1    .    2]" 1 
       1477 1  76 ILE H    1  76 ILE HG12 . . 3.760 3.054 2.719 3.438     .  0 0 "[    .    1    .    2]" 1 
       1478 1  76 ILE H    1  76 ILE QG   . . 3.230 1.918 1.867 2.008     .  0 0 "[    .    1    .    2]" 1 
       1479 1  76 ILE H    1  76 ILE HG13 . . 3.760 1.939 1.900 2.037     .  0 0 "[    .    1    .    2]" 1 
       1480 1  76 ILE H    1  76 ILE MG   . . 4.120 3.763 3.744 3.775     .  0 0 "[    .    1    .    2]" 1 
       1481 1  76 ILE H    1  77 GLY H    . . 3.660 2.854 2.681 3.100     .  0 0 "[    .    1    .    2]" 1 
       1482 1  76 ILE H    1  99 LEU MD2  . . 5.500 5.326 5.058 5.489     .  0 0 "[    .    1    .    2]" 1 
       1483 1  76 ILE HA   1  76 ILE HG12 . . 4.240 2.533 2.433 2.707     .  0 0 "[    .    1    .    2]" 1 
       1484 1  76 ILE HA   1  76 ILE QG   . . 3.600 2.424 2.357 2.473     .  0 0 "[    .    1    .    2]" 1 
       1485 1  76 ILE HA   1  76 ILE HG13 . . 4.240 3.120 2.860 3.330     .  0 0 "[    .    1    .    2]" 1 
       1486 1  76 ILE HA   1  76 ILE MG   . . 3.370 2.360 2.261 2.442     .  0 0 "[    .    1    .    2]" 1 
       1487 1  76 ILE HA   1  79 PHE H    . . 4.260 3.491 3.368 3.740     .  0 0 "[    .    1    .    2]" 1 
       1488 1  76 ILE HA   1  79 PHE QD   . . 4.520 3.900 3.610 4.224     .  0 0 "[    .    1    .    2]" 1 
       1489 1  76 ILE HA   1  99 LEU MD2  . . 4.670 4.192 3.837 4.402     .  0 0 "[    .    1    .    2]" 1 
       1490 1  76 ILE HB   1  76 ILE MD   . . 3.450 2.416 2.247 2.554     .  0 0 "[    .    1    .    2]" 1 
       1491 1  76 ILE HB   1  77 GLY H    . . 3.380 2.682 2.206 3.016     .  0 0 "[    .    1    .    2]" 1 
       1492 1  76 ILE HB   1  78 ASN H    . . 5.500 5.200 4.993 5.455     .  0 0 "[    .    1    .    2]" 1 
       1493 1  76 ILE HB   1  96 ALA HA   . . 4.470 3.567 3.105 3.792     .  0 0 "[    .    1    .    2]" 1 
       1494 1  76 ILE HB   1  96 ALA MB   . . 3.850 3.212 2.939 3.483     .  0 0 "[    .    1    .    2]" 1 
       1495 1  76 ILE MD   1  94 PHE HZ   . . 5.320 5.127 4.917 5.289     .  0 0 "[    .    1    .    2]" 1 
       1496 1  76 ILE MD   1  99 LEU H    . . 4.740 4.146 3.844 4.380     .  0 0 "[    .    1    .    2]" 1 
       1497 1  76 ILE MD   1  99 LEU MD2  . . 3.220 2.134 1.965 2.504     .  0 0 "[    .    1    .    2]" 1 
       1498 1  76 ILE MD   1  99 LEU HG   . . 4.350 2.977 2.623 3.387     .  0 0 "[    .    1    .    2]" 1 
       1499 1  76 ILE MD   1 100 PHE H    . . 4.170 2.798 2.582 3.078     .  0 0 "[    .    1    .    2]" 1 
       1500 1  76 ILE MD   1 100 PHE QB   . . 3.510 2.302 2.024 2.624     .  0 0 "[    .    1    .    2]" 1 
       1501 1  76 ILE MD   1 100 PHE QD   . . 3.650 2.475 2.099 2.735     .  0 0 "[    .    1    .    2]" 1 
       1502 1  76 ILE MD   1 100 PHE QE   . . 4.340 4.149 3.732 4.340     .  0 0 "[    .    1    .    2]" 1 
       1503 1  76 ILE QG   1  99 LEU MD2  . . 3.610 2.638 2.230 2.925     .  0 0 "[    .    1    .    2]" 1 
       1504 1  76 ILE HG12 1  76 ILE MG   . . 3.590 2.382 2.138 2.523     .  0 0 "[    .    1    .    2]" 1 
       1505 1  76 ILE HG12 1  99 LEU MD2  . . 4.250 2.675 2.249 2.981     .  0 0 "[    .    1    .    2]" 1 
       1506 1  76 ILE HG13 1  76 ILE MG   . . 3.590 3.191 3.166 3.202     .  0 0 "[    .    1    .    2]" 1 
       1507 1  76 ILE HG13 1  99 LEU MD2  . . 4.250 4.028 3.685 4.239     .  0 0 "[    .    1    .    2]" 1 
       1508 1  76 ILE MG   1  77 GLY H    . . 3.940 3.586 3.274 3.893     .  0 0 "[    .    1    .    2]" 1 
       1509 1  76 ILE MG   1  80 ILE H    . . 4.610 3.467 3.149 3.871     .  0 0 "[    .    1    .    2]" 1 
       1510 1  76 ILE MG   1  80 ILE MD   . . 3.300 2.045 1.822 2.487     .  0 0 "[    .    1    .    2]" 1 
       1511 1  76 ILE MG   1  80 ILE HG12 . . 3.900 3.430 3.060 3.792     .  0 0 "[    .    1    .    2]" 1 
       1512 1  76 ILE MG   1  80 ILE HG13 . . 4.200 2.390 2.068 2.763     .  0 0 "[    .    1    .    2]" 1 
       1513 1  76 ILE MG   1  94 PHE QD   . . 4.450 3.683 3.521 3.838     .  0 0 "[    .    1    .    2]" 1 
       1514 1  76 ILE MG   1  94 PHE QE   . . 3.330 2.173 1.966 2.336     .  0 0 "[    .    1    .    2]" 1 
       1515 1  76 ILE MG   1  94 PHE HZ   . . 4.320 3.364 3.101 3.569     .  0 0 "[    .    1    .    2]" 1 
       1516 1  76 ILE MG   1  96 ALA H    . . 4.370 4.164 3.832 4.365     .  0 0 "[    .    1    .    2]" 1 
       1517 1  76 ILE MG   1  96 ALA HA   . . 3.180 1.982 1.840 2.060     .  0 0 "[    .    1    .    2]" 1 
       1518 1  76 ILE MG   1  96 ALA MB   . . 3.080 2.851 2.526 3.048     .  0 0 "[    .    1    .    2]" 1 
       1519 1  76 ILE MG   1  99 LEU HB2  . . 4.250 3.646 3.282 3.962     .  0 0 "[    .    1    .    2]" 1 
       1520 1  76 ILE MG   1 100 PHE H    . . 5.180 3.661 3.311 3.960     .  0 0 "[    .    1    .    2]" 1 
       1521 1  77 GLY H    1  78 ASN H    . . 3.430 2.773 2.535 3.116     .  0 0 "[    .    1    .    2]" 1 
       1522 1  77 GLY H    1  80 ILE H    . . 5.200 5.050 4.953 5.142     .  0 0 "[    .    1    .    2]" 1 
       1523 1  77 GLY H    1  80 ILE MD   . . 4.730 4.344 3.751 4.616     .  0 0 "[    .    1    .    2]" 1 
       1524 1  77 GLY H    1  96 ALA MB   . . 4.630 4.012 3.442 4.446     .  0 0 "[    .    1    .    2]" 1 
       1525 1  77 GLY HA2  1  79 PHE H    . . 4.660 4.542 4.399 4.619     .  0 0 "[    .    1    .    2]" 1 
       1526 1  77 GLY HA2  1  80 ILE H    . . 4.180 4.078 3.921 4.180     .  0 0 "[    .    1    .    2]" 1 
       1527 1  77 GLY HA2  1  80 ILE HB   . . 4.090 3.268 3.044 3.589     .  0 0 "[    .    1    .    2]" 1 
       1528 1  77 GLY HA2  1  80 ILE MD   . . 3.820 2.792 2.380 3.100     .  0 0 "[    .    1    .    2]" 1 
       1529 1  77 GLY HA3  1  78 ASN H    . . 3.530 2.774 2.651 2.858     .  0 0 "[    .    1    .    2]" 1 
       1530 1  77 GLY HA3  1  80 ILE MD   . . 4.520 4.316 3.888 4.520 0.000 15 0 "[    .    1    .    2]" 1 
       1531 1  78 ASN H    1  78 ASN HB2  . . 3.700 2.629 2.329 3.601     .  0 0 "[    .    1    .    2]" 1 
       1532 1  78 ASN H    1  78 ASN QB   . . 3.000 2.476 2.300 2.631     .  0 0 "[    .    1    .    2]" 1 
       1533 1  78 ASN H    1  78 ASN HB3  . . 3.700 3.485 2.555 3.614     .  0 0 "[    .    1    .    2]" 1 
       1534 1  78 ASN H    1  78 ASN HD21 . . 4.470 3.534 2.359 4.217     .  0 0 "[    .    1    .    2]" 1 
       1535 1  78 ASN H    1  78 ASN HD22 . . 4.470 3.975 3.582 4.276     .  0 0 "[    .    1    .    2]" 1 
       1536 1  78 ASN H    1  79 PHE HB2  . . 5.320 5.245 5.009 5.324 0.004 14 0 "[    .    1    .    2]" 1 
       1537 1  78 ASN H    1  79 PHE HB3  . . 4.860 4.627 4.462 4.764     .  0 0 "[    .    1    .    2]" 1 
       1538 1  78 ASN H    1  80 ILE H    . . 4.960 4.633 4.534 4.774     .  0 0 "[    .    1    .    2]" 1 
       1539 1  78 ASN H    1  80 ILE HB   . . 5.500 5.469 5.394 5.507 0.007  2 0 "[    .    1    .    2]" 1 
       1540 1  78 ASN QB   1  78 ASN QD   . . 3.070 2.133 2.063 2.221     .  0 0 "[    .    1    .    2]" 1 
       1541 1  78 ASN QB   1  79 PHE H    . . 3.390 2.645 2.488 3.422 0.032 18 0 "[    .    1    .    2]" 1 
       1542 1  78 ASN HB2  1  78 ASN HD22 . . 4.040 3.535 3.434 3.946     .  0 0 "[    .    1    .    2]" 1 
       1543 1  78 ASN HB2  1  79 PHE H    . . 3.980 2.729 2.525 3.770     .  0 0 "[    .    1    .    2]" 1 
       1544 1  78 ASN HB3  1  78 ASN HD22 . . 4.040 3.754 3.435 4.034     .  0 0 "[    .    1    .    2]" 1 
       1545 1  78 ASN HB3  1  79 PHE H    . . 3.980 3.696 3.414 3.922     .  0 0 "[    .    1    .    2]" 1 
       1546 1  79 PHE H    1  79 PHE HB2  . . 3.090 2.743 2.644 2.837     .  0 0 "[    .    1    .    2]" 1 
       1547 1  79 PHE H    1  79 PHE HB3  . . 3.170 2.336 2.264 2.422     .  0 0 "[    .    1    .    2]" 1 
       1548 1  79 PHE H    1  79 PHE QD   . . 4.270 4.107 4.026 4.164     .  0 0 "[    .    1    .    2]" 1 
       1549 1  79 PHE H    1  80 ILE HB   . . 4.930 4.884 4.771 4.936 0.006 16 0 "[    .    1    .    2]" 1 
       1550 1  79 PHE H    1  80 ILE HG13 . . 4.700 4.609 4.435 4.699     .  0 0 "[    .    1    .    2]" 1 
       1551 1  79 PHE H    1  81 LYS H    . . 4.910 4.231 4.077 4.402     .  0 0 "[    .    1    .    2]" 1 
       1552 1  79 PHE HA   1  79 PHE QD   . . 3.620 2.964 2.811 3.072     .  0 0 "[    .    1    .    2]" 1 
       1553 1  79 PHE HA   1  79 PHE QE   . . 4.930 4.823 4.736 4.908     .  0 0 "[    .    1    .    2]" 1 
       1554 1  79 PHE HA   1  82 ALA H    . . 3.860 3.259 3.153 3.376     .  0 0 "[    .    1    .    2]" 1 
       1555 1  79 PHE HA   1  82 ALA MB   . . 3.450 2.321 2.063 2.603     .  0 0 "[    .    1    .    2]" 1 
       1556 1  79 PHE HB2  1  80 ILE H    . . 3.820 3.730 3.656 3.795     .  0 0 "[    .    1    .    2]" 1 
       1557 1  79 PHE HB2  1  80 ILE HA   . . 5.500 5.525 5.506 5.545 0.045 16 0 "[    .    1    .    2]" 1 
       1558 1  79 PHE HB3  1  80 ILE HA   . . 4.700 4.403 4.288 4.501     .  0 0 "[    .    1    .    2]" 1 
       1559 1  79 PHE QD   1  80 ILE H    . . 3.750 2.285 2.056 2.513     .  0 0 "[    .    1    .    2]" 1 
       1560 1  79 PHE QD   1  80 ILE HA   . . 4.600 2.772 2.539 2.982     .  0 0 "[    .    1    .    2]" 1 
       1561 1  79 PHE QD   1  80 ILE MD   . . 4.480 3.947 3.742 4.235     .  0 0 "[    .    1    .    2]" 1 
       1562 1  79 PHE QD   1  80 ILE HG12 . . 4.560 3.115 2.757 3.323     .  0 0 "[    .    1    .    2]" 1 
       1563 1  79 PHE QD   1  80 ILE HG13 . . 4.030 2.367 2.070 2.700     .  0 0 "[    .    1    .    2]" 1 
       1564 1  79 PHE QD   1  80 ILE MG   . . 4.510 4.346 4.162 4.463     .  0 0 "[    .    1    .    2]" 1 
       1565 1  79 PHE QD   1  82 ALA MB   . . 4.530 3.844 3.687 3.998     .  0 0 "[    .    1    .    2]" 1 
       1566 1  79 PHE QD   1  83 ILE MD   . . 5.080 3.246 2.780 3.595     .  0 0 "[    .    1    .    2]" 1 
       1567 1  79 PHE QD   1  94 PHE QE   . . 3.760 3.607 3.372 3.763 0.003 17 0 "[    .    1    .    2]" 1 
       1568 1  79 PHE QE   1  83 ILE MD   . . 3.760 2.243 2.002 2.624     .  0 0 "[    .    1    .    2]" 1 
       1569 1  79 PHE QE   1  83 ILE MG   . . 3.830 2.573 2.415 2.752     .  0 0 "[    .    1    .    2]" 1 
       1570 1  79 PHE HZ   1  83 ILE MD   . . 4.090 2.885 2.410 3.142     .  0 0 "[    .    1    .    2]" 1 
       1571 1  79 PHE HZ   1  94 PHE QE   . . 3.910 3.514 3.093 3.878     .  0 0 "[    .    1    .    2]" 1 
       1572 1  79 PHE HZ   1 112 LEU MD2  . . 3.490 3.214 2.993 3.401     .  0 0 "[    .    1    .    2]" 1 
       1573 1  79 PHE HZ   1 115 LEU MD2  . . 3.550 2.883 2.500 3.169     .  0 0 "[    .    1    .    2]" 1 
       1574 1  80 ILE H    1  80 ILE HB   . . 3.100 2.616 2.564 2.700     .  0 0 "[    .    1    .    2]" 1 
       1575 1  80 ILE H    1  80 ILE MD   . . 3.670 3.440 3.299 3.597     .  0 0 "[    .    1    .    2]" 1 
       1576 1  80 ILE H    1  80 ILE HG12 . . 3.600 3.382 3.142 3.480     .  0 0 "[    .    1    .    2]" 1 
       1577 1  80 ILE H    1  80 ILE HG13 . . 3.290 2.018 1.888 2.109     .  0 0 "[    .    1    .    2]" 1 
       1578 1  80 ILE H    1  80 ILE MG   . . 3.850 3.779 3.772 3.786     .  0 0 "[    .    1    .    2]" 1 
       1579 1  80 ILE H    1  81 LYS H    . . 3.470 3.014 2.903 3.127     .  0 0 "[    .    1    .    2]" 1 
       1580 1  80 ILE HA   1  80 ILE MD   . . 3.980 3.836 3.798 3.871     .  0 0 "[    .    1    .    2]" 1 
       1581 1  80 ILE HA   1  80 ILE HG12 . . 4.180 2.570 2.466 2.661     .  0 0 "[    .    1    .    2]" 1 
       1582 1  80 ILE HA   1  80 ILE HG13 . . 3.750 2.843 2.770 3.021     .  0 0 "[    .    1    .    2]" 1 
       1583 1  80 ILE HA   1  80 ILE MG   . . 3.420 2.430 2.400 2.454     .  0 0 "[    .    1    .    2]" 1 
       1584 1  80 ILE HA   1  82 ALA H    . . 5.170 4.573 4.405 4.730     .  0 0 "[    .    1    .    2]" 1 
       1585 1  80 ILE HA   1  83 ILE H    . . 4.430 3.861 3.685 4.134     .  0 0 "[    .    1    .    2]" 1 
       1586 1  80 ILE HA   1  83 ILE MD   . . 3.490 2.105 1.966 2.252     .  0 0 "[    .    1    .    2]" 1 
       1587 1  80 ILE HA   1  83 ILE QG   . . 3.330 2.237 2.021 2.525     .  0 0 "[    .    1    .    2]" 1 
       1588 1  80 ILE HA   1  83 ILE MG   . . 4.340 3.643 3.450 3.778     .  0 0 "[    .    1    .    2]" 1 
       1589 1  80 ILE HA   1  84 THR H    . . 4.840 4.619 4.369 4.839     .  0 0 "[    .    1    .    2]" 1 
       1590 1  80 ILE HA   1  93 ILE MD   . . 4.360 3.924 3.581 4.196     .  0 0 "[    .    1    .    2]" 1 
       1591 1  80 ILE HA   1  93 ILE MG   . . 4.020 2.919 2.630 3.116     .  0 0 "[    .    1    .    2]" 1 
       1592 1  80 ILE HA   1 111 THR MG   . . 4.720 4.626 4.452 4.719     .  0 0 "[    .    1    .    2]" 1 
       1593 1  80 ILE HB   1  80 ILE MD   . . 3.360 2.367 2.288 2.469     .  0 0 "[    .    1    .    2]" 1 
       1594 1  80 ILE HB   1  81 LYS H    . . 4.000 2.514 2.335 2.695     .  0 0 "[    .    1    .    2]" 1 
       1595 1  80 ILE HB   1  83 ILE MD   . . 4.730 4.641 4.550 4.724     .  0 0 "[    .    1    .    2]" 1 
       1596 1  80 ILE HB   1  93 ILE MG   . . 4.290 4.058 3.935 4.193     .  0 0 "[    .    1    .    2]" 1 
       1597 1  80 ILE MD   1  94 PHE QD   . . 4.340 2.977 2.381 3.339     .  0 0 "[    .    1    .    2]" 1 
       1598 1  80 ILE MD   1  94 PHE QE   . . 4.050 2.750 2.133 3.192     .  0 0 "[    .    1    .    2]" 1 
       1599 1  80 ILE MD   1  94 PHE HZ   . . 4.950 4.317 4.032 4.750     .  0 0 "[    .    1    .    2]" 1 
       1600 1  80 ILE MD   1  95 GLU HA   . . 4.100 2.616 2.209 3.074     .  0 0 "[    .    1    .    2]" 1 
       1601 1  80 ILE MD   1  96 ALA H    . . 3.780 2.615 2.292 2.893     .  0 0 "[    .    1    .    2]" 1 
       1602 1  80 ILE MD   1  96 ALA HA   . . 3.520 2.251 1.964 2.558     .  0 0 "[    .    1    .    2]" 1 
       1603 1  80 ILE MD   1  96 ALA MB   . . 3.490 2.703 2.541 3.009     .  0 0 "[    .    1    .    2]" 1 
       1604 1  80 ILE HG12 1  80 ILE MG   . . 3.710 2.231 2.135 2.325     .  0 0 "[    .    1    .    2]" 1 
       1605 1  80 ILE HG12 1  94 PHE QE   . . 4.300 3.239 2.821 3.667     .  0 0 "[    .    1    .    2]" 1 
       1606 1  80 ILE HG12 1  94 PHE HZ   . . 4.980 3.816 3.555 4.411     .  0 0 "[    .    1    .    2]" 1 
       1607 1  80 ILE HG13 1  80 ILE MG   . . 3.380 3.178 3.164 3.191     .  0 0 "[    .    1    .    2]" 1 
       1608 1  80 ILE HG13 1  81 LYS H    . . 4.750 4.302 4.161 4.371     .  0 0 "[    .    1    .    2]" 1 
       1609 1  80 ILE HG13 1  94 PHE QE   . . 4.640 3.327 2.659 3.930     .  0 0 "[    .    1    .    2]" 1 
       1610 1  80 ILE HG13 1  96 ALA HA   . . 5.270 4.403 4.152 4.719     .  0 0 "[    .    1    .    2]" 1 
       1611 1  80 ILE MG   1  81 LYS H    . . 3.650 3.302 3.164 3.443     .  0 0 "[    .    1    .    2]" 1 
       1612 1  80 ILE MG   1  81 LYS HA   . . 3.920 3.427 3.341 3.511     .  0 0 "[    .    1    .    2]" 1 
       1613 1  80 ILE MG   1  83 ILE H    . . 5.500 4.906 4.713 5.305     .  0 0 "[    .    1    .    2]" 1 
       1614 1  80 ILE MG   1  83 ILE QG   . . 3.970 3.273 3.096 3.521     .  0 0 "[    .    1    .    2]" 1 
       1615 1  80 ILE MG   1  84 THR H    . . 4.730 4.454 4.103 4.640     .  0 0 "[    .    1    .    2]" 1 
       1616 1  80 ILE MG   1  84 THR HA   . . 5.500 5.260 4.909 5.499     .  0 0 "[    .    1    .    2]" 1 
       1617 1  80 ILE MG   1  84 THR HB   . . 5.500 4.932 4.469 5.268     .  0 0 "[    .    1    .    2]" 1 
       1618 1  80 ILE MG   1  95 GLU HA   . . 4.800 3.522 3.205 3.807     .  0 0 "[    .    1    .    2]" 1 
       1619 1  80 ILE MG   1 111 THR MG   . . 4.650 4.540 4.330 4.650     .  0 0 "[    .    1    .    2]" 1 
       1620 1  81 LYS H    1  81 LYS QB   . . 2.890 2.383 2.189 2.535     .  0 0 "[    .    1    .    2]" 1 
       1621 1  81 LYS H    1  81 LYS QD   . . 4.400 3.908 3.297 4.404 0.004 13 0 "[    .    1    .    2]" 1 
       1622 1  81 LYS H    1  81 LYS QE   . . 5.100 4.583 3.454 5.089     .  0 0 "[    .    1    .    2]" 1 
       1623 1  81 LYS H    1  81 LYS HG2  . . 3.810 3.205 2.127 3.787     .  0 0 "[    .    1    .    2]" 1 
       1624 1  81 LYS H    1  81 LYS QG   . . 3.080 2.372 1.981 2.868     .  0 0 "[    .    1    .    2]" 1 
       1625 1  81 LYS H    1  81 LYS HG3  . . 3.810 2.735 1.993 3.756     .  0 0 "[    .    1    .    2]" 1 
       1626 1  81 LYS HA   1  81 LYS HD2  . . 5.030 4.292 2.414 4.936     .  0 0 "[    .    1    .    2]" 1 
       1627 1  81 LYS HA   1  81 LYS QD   . . 4.300 3.623 2.172 4.232     .  0 0 "[    .    1    .    2]" 1 
       1628 1  81 LYS HA   1  81 LYS HD3  . . 5.030 3.997 2.189 4.653     .  0 0 "[    .    1    .    2]" 1 
       1629 1  81 LYS HA   1  81 LYS HG2  . . 3.820 2.592 2.218 2.992     .  0 0 "[    .    1    .    2]" 1 
       1630 1  81 LYS HA   1  81 LYS QG   . . 3.260 2.477 2.177 2.890     .  0 0 "[    .    1    .    2]" 1 
       1631 1  81 LYS HA   1  81 LYS HG3  . . 3.820 3.259 2.802 3.839 0.019  7 0 "[    .    1    .    2]" 1 
       1632 1  81 LYS HA   1  84 THR H    . . 3.900 3.373 3.181 3.682     .  0 0 "[    .    1    .    2]" 1 
       1633 1  81 LYS HA   1  84 THR HB   . . 3.620 2.855 2.546 3.241     .  0 0 "[    .    1    .    2]" 1 
       1634 1  81 LYS HA   1  84 THR MG   . . 4.370 3.868 3.730 4.032     .  0 0 "[    .    1    .    2]" 1 
       1635 1  81 LYS QB   1  81 LYS HD2  . . 3.490 2.799 2.175 3.324     .  0 0 "[    .    1    .    2]" 1 
       1636 1  81 LYS QB   1  81 LYS HD3  . . 3.490 2.483 2.074 3.408     .  0 0 "[    .    1    .    2]" 1 
       1637 1  81 LYS QB   1  81 LYS QE   . . 3.730 2.906 1.984 3.667     .  0 0 "[    .    1    .    2]" 1 
       1638 1  81 LYS QB   1  82 ALA H    . . 3.140 2.590 2.455 2.718     .  0 0 "[    .    1    .    2]" 1 
       1639 1  81 LYS QB   1  82 ALA HA   . . 3.860 3.860 3.828 3.882 0.022 17 0 "[    .    1    .    2]" 1 
       1640 1  81 LYS QB   1  82 ALA MB   . . 3.970 3.853 3.782 3.926     .  0 0 "[    .    1    .    2]" 1 
       1641 1  81 LYS QB   1  83 ILE H    . . 5.130 4.829 4.624 5.080     .  0 0 "[    .    1    .    2]" 1 
       1642 1  81 LYS QB   1  84 THR H    . . 5.400 4.629 4.426 4.861     .  0 0 "[    .    1    .    2]" 1 
       1643 1  81 LYS QB   1  84 THR HB   . . 4.730 4.100 3.834 4.441     .  0 0 "[    .    1    .    2]" 1 
       1644 1  81 LYS QG   1  82 ALA H    . . 4.570 4.106 3.898 4.348     .  0 0 "[    .    1    .    2]" 1 
       1645 1  82 ALA H    1  82 ALA MB   . . 2.880 2.150 2.025 2.233     .  0 0 "[    .    1    .    2]" 1 
       1646 1  82 ALA H    1  83 ILE H    . . 3.280 2.794 2.658 2.941     .  0 0 "[    .    1    .    2]" 1 
       1647 1  82 ALA H    1  83 ILE QG   . . 4.140 3.861 3.771 4.021     .  0 0 "[    .    1    .    2]" 1 
       1648 1  82 ALA H    1  83 ILE MG   . . 4.870 4.486 4.314 4.664     .  0 0 "[    .    1    .    2]" 1 
       1649 1  82 ALA H    1  84 THR H    . . 4.390 3.912 3.827 3.999     .  0 0 "[    .    1    .    2]" 1 
       1650 1  82 ALA HA   1  83 ILE MG   . . 5.160 5.005 4.873 5.124     .  0 0 "[    .    1    .    2]" 1 
       1651 1  82 ALA HA   1  84 THR H    . . 4.380 4.052 3.828 4.215     .  0 0 "[    .    1    .    2]" 1 
       1652 1  82 ALA HA   1  85 LYS H    . . 3.780 3.677 3.521 3.778     .  0 0 "[    .    1    .    2]" 1 
       1653 1  82 ALA HA   1  85 LYS HB2  . . 4.020 3.494 3.300 3.710     .  0 0 "[    .    1    .    2]" 1 
       1654 1  82 ALA MB   1  83 ILE H    . . 3.310 2.454 2.091 2.722     .  0 0 "[    .    1    .    2]" 1 
       1655 1  82 ALA MB   1  83 ILE MG   . . 3.740 3.074 2.850 3.257     .  0 0 "[    .    1    .    2]" 1 
       1656 1  82 ALA MB   1  84 THR H    . . 4.400 4.240 4.134 4.340     .  0 0 "[    .    1    .    2]" 1 
       1657 1  83 ILE H    1  83 ILE HB   . . 3.880 3.615 3.605 3.632     .  0 0 "[    .    1    .    2]" 1 
       1658 1  83 ILE H    1  83 ILE MD   . . 3.820 3.643 3.549 3.739     .  0 0 "[    .    1    .    2]" 1 
       1659 1  83 ILE H    1  83 ILE QG   . . 3.090 1.994 1.908 2.230     .  0 0 "[    .    1    .    2]" 1 
       1660 1  83 ILE H    1  83 ILE MG   . . 3.170 2.388 2.199 2.535     .  0 0 "[    .    1    .    2]" 1 
       1661 1  83 ILE H    1  84 THR H    . . 3.290 2.577 2.388 2.823     .  0 0 "[    .    1    .    2]" 1 
       1662 1  83 ILE H    1  84 THR HA   . . 5.500 5.153 4.975 5.381     .  0 0 "[    .    1    .    2]" 1 
       1663 1  83 ILE H    1  84 THR HB   . . 5.500 4.984 4.738 5.240     .  0 0 "[    .    1    .    2]" 1 
       1664 1  83 ILE H    1  85 LYS H    . . 4.690 4.334 4.201 4.464     .  0 0 "[    .    1    .    2]" 1 
       1665 1  83 ILE H    1  93 ILE MG   . . 5.500 5.306 5.141 5.496     .  0 0 "[    .    1    .    2]" 1 
       1666 1  83 ILE HA   1  83 ILE MD   . . 4.330 4.173 4.161 4.181     .  0 0 "[    .    1    .    2]" 1 
       1667 1  83 ILE HA   1  83 ILE MG   . . 3.350 2.270 2.195 2.372     .  0 0 "[    .    1    .    2]" 1 
       1668 1  83 ILE HA   1  86 TYR H    . . 3.640 3.307 3.188 3.442     .  0 0 "[    .    1    .    2]" 1 
       1669 1  83 ILE HA   1  86 TYR HB2  . . 3.690 2.933 2.796 3.049     .  0 0 "[    .    1    .    2]" 1 
       1670 1  83 ILE HA   1  86 TYR HB3  . . 3.570 2.648 2.567 2.798     .  0 0 "[    .    1    .    2]" 1 
       1671 1  83 ILE HA   1  86 TYR QD   . . 4.330 4.190 4.041 4.331 0.001  1 0 "[    .    1    .    2]" 1 
       1672 1  83 ILE HA   1  87 GLY H    . . 4.080 3.926 3.794 4.063     .  0 0 "[    .    1    .    2]" 1 
       1673 1  83 ILE HA   1  88 VAL H    . . 5.500 4.942 4.713 5.186     .  0 0 "[    .    1    .    2]" 1 
       1674 1  83 ILE HA   1  88 VAL MG2  . . 4.230 3.483 3.138 3.805     .  0 0 "[    .    1    .    2]" 1 
       1675 1  83 ILE HA   1 115 LEU MD1  . . 4.060 3.774 3.609 3.944     .  0 0 "[    .    1    .    2]" 1 
       1676 1  83 ILE HB   1  83 ILE MD   . . 3.180 2.386 2.285 2.492     .  0 0 "[    .    1    .    2]" 1 
       1677 1  83 ILE HB   1  84 THR H    . . 4.230 3.942 3.811 4.069     .  0 0 "[    .    1    .    2]" 1 
       1678 1  83 ILE HB   1  88 VAL MG2  . . 3.630 2.521 2.218 2.765     .  0 0 "[    .    1    .    2]" 1 
       1679 1  83 ILE HB   1 115 LEU MD1  . . 3.590 3.225 2.992 3.499     .  0 0 "[    .    1    .    2]" 1 
       1680 1  83 ILE HB   1 115 LEU MD2  . . 4.170 3.418 3.010 3.751     .  0 0 "[    .    1    .    2]" 1 
       1681 1  83 ILE MD   1  83 ILE MG   . . 3.040 2.045 1.936 2.162     .  0 0 "[    .    1    .    2]" 1 
       1682 1  83 ILE MD   1  84 THR H    . . 4.480 4.061 3.907 4.262     .  0 0 "[    .    1    .    2]" 1 
       1683 1  83 ILE MD   1  84 THR HA   . . 4.690 4.582 4.457 4.689     .  0 0 "[    .    1    .    2]" 1 
       1684 1  83 ILE MD   1  88 VAL MG1  . . 3.160 2.941 2.723 3.125     .  0 0 "[    .    1    .    2]" 1 
       1685 1  83 ILE MD   1  88 VAL MG2  . . 3.610 3.453 3.289 3.592     .  0 0 "[    .    1    .    2]" 1 
       1686 1  83 ILE MD   1  93 ILE MG   . . 3.200 2.110 1.846 2.411     .  0 0 "[    .    1    .    2]" 1 
       1687 1  83 ILE MD   1  94 PHE QE   . . 3.870 3.404 3.098 3.590     .  0 0 "[    .    1    .    2]" 1 
       1688 1  83 ILE MD   1 111 THR HA   . . 5.060 4.874 4.701 5.056     .  0 0 "[    .    1    .    2]" 1 
       1689 1  83 ILE MD   1 111 THR MG   . . 2.930 2.252 2.089 2.347     .  0 0 "[    .    1    .    2]" 1 
       1690 1  83 ILE MD   1 115 LEU HB2  . . 4.750 4.580 4.438 4.746     .  0 0 "[    .    1    .    2]" 1 
       1691 1  83 ILE MD   1 115 LEU MD2  . . 4.130 3.578 3.328 3.814     .  0 0 "[    .    1    .    2]" 1 
       1692 1  83 ILE QG   1  83 ILE MG   . . 3.280 2.253 2.198 2.341     .  0 0 "[    .    1    .    2]" 1 
       1693 1  83 ILE QG   1  84 THR H    . . 4.340 2.357 2.193 2.568     .  0 0 "[    .    1    .    2]" 1 
       1694 1  83 ILE QG   1  86 TYR H    . . 5.500 5.280 5.085 5.413     .  0 0 "[    .    1    .    2]" 1 
       1695 1  83 ILE QG   1  88 VAL HB   . . 4.350 3.302 3.046 3.519     .  0 0 "[    .    1    .    2]" 1 
       1696 1  83 ILE QG   1  88 VAL MG1  . . 3.990 3.843 3.498 3.987     .  0 0 "[    .    1    .    2]" 1 
       1697 1  83 ILE QG   1  88 VAL MG2  . . 4.040 3.893 3.620 4.037     .  0 0 "[    .    1    .    2]" 1 
       1698 1  83 ILE QG   1  93 ILE MD   . . 3.320 2.218 1.977 2.549     .  0 0 "[    .    1    .    2]" 1 
       1699 1  83 ILE QG   1  93 ILE MG   . . 3.940 3.016 2.872 3.189     .  0 0 "[    .    1    .    2]" 1 
       1700 1  83 ILE QG   1 111 THR MG   . . 4.130 3.978 3.822 4.094     .  0 0 "[    .    1    .    2]" 1 
       1701 1  83 ILE MG   1  84 THR H    . . 4.300 4.057 3.939 4.132     .  0 0 "[    .    1    .    2]" 1 
       1702 1  83 ILE MG   1  86 TYR H    . . 5.410 5.059 4.964 5.167     .  0 0 "[    .    1    .    2]" 1 
       1703 1  83 ILE MG   1  86 TYR HB3  . . 4.530 4.192 4.054 4.316     .  0 0 "[    .    1    .    2]" 1 
       1704 1  83 ILE MG   1  88 VAL MG2  . . 4.130 3.487 3.160 3.757     .  0 0 "[    .    1    .    2]" 1 
       1705 1  83 ILE MG   1  94 PHE QE   . . 4.850 4.729 4.546 4.851 0.001 16 0 "[    .    1    .    2]" 1 
       1706 1  83 ILE MG   1 115 LEU MD1  . . 3.340 2.916 2.672 3.160     .  0 0 "[    .    1    .    2]" 1 
       1707 1  83 ILE MG   1 115 LEU MD2  . . 3.240 2.071 1.933 2.293     .  0 0 "[    .    1    .    2]" 1 
       1708 1  83 ILE MG   1 115 LEU HG   . . 4.680 4.586 4.446 4.675     .  0 0 "[    .    1    .    2]" 1 
       1709 1  84 THR H    1  84 THR HB   . . 3.350 2.622 2.499 2.799     .  0 0 "[    .    1    .    2]" 1 
       1710 1  84 THR H    1  84 THR MG   . . 3.850 3.764 3.735 3.776     .  0 0 "[    .    1    .    2]" 1 
       1711 1  84 THR H    1  85 LYS HB2  . . 5.500 4.685 4.537 4.918     .  0 0 "[    .    1    .    2]" 1 
       1712 1  84 THR H    1  86 TYR H    . . 4.490 4.103 3.955 4.267     .  0 0 "[    .    1    .    2]" 1 
       1713 1  84 THR H    1  93 ILE MD   . . 3.870 3.271 3.044 3.495     .  0 0 "[    .    1    .    2]" 1 
       1714 1  84 THR H    1  93 ILE MG   . . 5.280 4.776 4.492 5.052     .  0 0 "[    .    1    .    2]" 1 
       1715 1  84 THR HA   1  84 THR MG   . . 2.960 2.304 2.171 2.381     .  0 0 "[    .    1    .    2]" 1 
       1716 1  84 THR HA   1  86 TYR H    . . 5.400 4.723 4.561 4.866     .  0 0 "[    .    1    .    2]" 1 
       1717 1  84 THR HA   1  87 GLY H    . . 4.680 4.576 4.479 4.679     .  0 0 "[    .    1    .    2]" 1 
       1718 1  84 THR HA   1  88 VAL H    . . 3.790 3.331 3.229 3.440     .  0 0 "[    .    1    .    2]" 1 
       1719 1  84 THR HA   1  88 VAL HB   . . 4.550 3.039 2.847 3.177     .  0 0 "[    .    1    .    2]" 1 
       1720 1  84 THR HA   1  88 VAL MG1  . . 4.440 4.172 4.005 4.355     .  0 0 "[    .    1    .    2]" 1 
       1721 1  84 THR HA   1  88 VAL MG2  . . 4.350 4.268 4.162 4.355 0.005 14 0 "[    .    1    .    2]" 1 
       1722 1  84 THR HA   1  93 ILE MD   . . 3.610 2.179 1.987 2.363     .  0 0 "[    .    1    .    2]" 1 
       1723 1  84 THR HB   1  85 LYS H    . . 3.020 2.722 2.543 2.876     .  0 0 "[    .    1    .    2]" 1 
       1724 1  84 THR HB   1  85 LYS HB2  . . 5.210 4.582 4.385 4.788     .  0 0 "[    .    1    .    2]" 1 
       1725 1  84 THR HB   1  86 TYR H    . . 5.500 5.074 4.936 5.194     .  0 0 "[    .    1    .    2]" 1 
       1726 1  84 THR HB   1  93 ILE MD   . . 4.670 3.803 3.553 4.086     .  0 0 "[    .    1    .    2]" 1 
       1727 1  84 THR MG   1  85 LYS H    . . 3.900 3.710 3.470 3.888     .  0 0 "[    .    1    .    2]" 1 
       1728 1  84 THR MG   1  85 LYS HA   . . 4.330 3.825 3.602 4.139     .  0 0 "[    .    1    .    2]" 1 
       1729 1  84 THR MG   1  86 TYR H    . . 5.500 5.322 5.145 5.437     .  0 0 "[    .    1    .    2]" 1 
       1730 1  84 THR MG   1  88 VAL H    . . 4.550 4.471 4.320 4.551 0.001  7 0 "[    .    1    .    2]" 1 
       1731 1  84 THR MG   1  90 PRO HA   . . 4.580 3.457 2.901 3.782     .  0 0 "[    .    1    .    2]" 1 
       1732 1  84 THR MG   1  90 PRO HB2  . . 4.660 4.404 4.138 4.627     .  0 0 "[    .    1    .    2]" 1 
       1733 1  84 THR MG   1  90 PRO HB3  . . 3.540 2.866 2.650 3.079     .  0 0 "[    .    1    .    2]" 1 
       1734 1  84 THR MG   1  90 PRO HD2  . . 4.830 4.482 4.155 4.749     .  0 0 "[    .    1    .    2]" 1 
       1735 1  84 THR MG   1  90 PRO QD   . . 4.120 2.997 2.679 3.321     .  0 0 "[    .    1    .    2]" 1 
       1736 1  84 THR MG   1  90 PRO HD3  . . 4.830 3.045 2.713 3.390     .  0 0 "[    .    1    .    2]" 1 
       1737 1  84 THR MG   1  90 PRO QG   . . 4.170 3.749 3.498 4.115     .  0 0 "[    .    1    .    2]" 1 
       1738 1  84 THR MG   1  93 ILE MD   . . 3.790 2.694 2.255 3.005     .  0 0 "[    .    1    .    2]" 1 
       1739 1  85 LYS H    1  85 LYS HB2  . . 2.920 2.306 2.218 2.453     .  0 0 "[    .    1    .    2]" 1 
       1740 1  85 LYS H    1  85 LYS HB3  . . 3.590 3.562 3.514 3.607 0.017 12 0 "[    .    1    .    2]" 1 
       1741 1  85 LYS H    1  85 LYS QD   . . 4.320 3.785 2.109 4.335 0.015  5 0 "[    .    1    .    2]" 1 
       1742 1  85 LYS H    1  85 LYS HG2  . . 4.230 3.560 2.497 4.236 0.006 13 0 "[    .    1    .    2]" 1 
       1743 1  85 LYS H    1  85 LYS QG   . . 3.550 2.859 2.351 3.517     .  0 0 "[    .    1    .    2]" 1 
       1744 1  85 LYS H    1  85 LYS HG3  . . 4.230 3.213 2.390 3.810     .  0 0 "[    .    1    .    2]" 1 
       1745 1  85 LYS H    1  86 TYR H    . . 3.290 2.437 2.337 2.526     .  0 0 "[    .    1    .    2]" 1 
       1746 1  85 LYS H    1  86 TYR HB2  . . 5.020 4.642 4.522 4.749     .  0 0 "[    .    1    .    2]" 1 
       1747 1  85 LYS H    1  86 TYR HB3  . . 4.840 4.672 4.553 4.758     .  0 0 "[    .    1    .    2]" 1 
       1748 1  85 LYS H    1  87 GLY H    . . 4.820 4.732 4.602 4.823 0.003  5 0 "[    .    1    .    2]" 1 
       1749 1  85 LYS HA   1  85 LYS QD   . . 3.970 3.332 2.007 4.005 0.035  5 0 "[    .    1    .    2]" 1 
       1750 1  85 LYS HA   1  85 LYS QG   . . 3.580 2.363 2.195 2.709     .  0 0 "[    .    1    .    2]" 1 
       1751 1  85 LYS HA   1  87 GLY H    . . 5.090 5.053 4.942 5.092 0.002 14 0 "[    .    1    .    2]" 1 
       1752 1  85 LYS HA   1  88 VAL H    . . 5.500 5.005 4.863 5.164     .  0 0 "[    .    1    .    2]" 1 
       1753 1  85 LYS HB2  1  85 LYS QE   . . 4.760 3.782 3.031 4.421     .  0 0 "[    .    1    .    2]" 1 
       1754 1  85 LYS HB2  1  86 TYR H    . . 3.600 2.670 2.514 2.851     .  0 0 "[    .    1    .    2]" 1 
       1755 1  85 LYS HB2  1  86 TYR HA   . . 4.630 4.411 4.178 4.571     .  0 0 "[    .    1    .    2]" 1 
       1756 1  85 LYS HB3  1  86 TYR H    . . 3.590 3.451 3.290 3.566     .  0 0 "[    .    1    .    2]" 1 
       1757 1  85 LYS QD   1  86 TYR H    . . 5.240 4.740 3.993 5.042     .  0 0 "[    .    1    .    2]" 1 
       1758 1  85 LYS QE   1  85 LYS QG   . . 3.050 2.188 2.047 2.467     .  0 0 "[    .    1    .    2]" 1 
       1759 1  85 LYS QG   1  86 TYR H    . . 4.690 4.253 4.009 4.529     .  0 0 "[    .    1    .    2]" 1 
       1760 1  86 TYR H    1  86 TYR HB2  . . 3.100 2.414 2.370 2.465     .  0 0 "[    .    1    .    2]" 1 
       1761 1  86 TYR H    1  86 TYR HB3  . . 3.180 2.679 2.605 2.757     .  0 0 "[    .    1    .    2]" 1 
       1762 1  86 TYR H    1  86 TYR QD   . . 4.270 4.155 4.119 4.188     .  0 0 "[    .    1    .    2]" 1 
       1763 1  86 TYR H    1  87 GLY H    . . 3.430 3.216 3.148 3.304     .  0 0 "[    .    1    .    2]" 1 
       1764 1  86 TYR H    1  88 VAL MG2  . . 5.060 4.809 4.598 4.965     .  0 0 "[    .    1    .    2]" 1 
       1765 1  86 TYR HA   1  86 TYR QD   . . 3.330 2.591 2.436 2.811     .  0 0 "[    .    1    .    2]" 1 
       1766 1  86 TYR HA   1  86 TYR QE   . . 4.820 4.534 4.453 4.636     .  0 0 "[    .    1    .    2]" 1 
       1767 1  86 TYR HB2  1  87 GLY H    . . 4.270 3.503 3.460 3.531     .  0 0 "[    .    1    .    2]" 1 
       1768 1  86 TYR HB2  1  88 VAL H    . . 5.500 5.403 5.234 5.489     .  0 0 "[    .    1    .    2]" 1 
       1769 1  86 TYR HB3  1  87 GLY H    . . 4.040 1.963 1.912 1.997     .  0 0 "[    .    1    .    2]" 1 
       1770 1  86 TYR HB3  1  88 VAL H    . . 4.420 3.877 3.658 3.998     .  0 0 "[    .    1    .    2]" 1 
       1771 1  86 TYR HB3  1  88 VAL MG2  . . 4.500 3.102 2.958 3.239     .  0 0 "[    .    1    .    2]" 1 
       1772 1  86 TYR HB3  1 115 LEU MD1  . . 4.610 3.585 3.398 3.726     .  0 0 "[    .    1    .    2]" 1 
       1773 1  86 TYR QD   1  87 GLY H    . . 4.620 2.837 2.582 3.096     .  0 0 "[    .    1    .    2]" 1 
       1774 1  86 TYR QD   1  88 VAL H    . . 4.780 4.541 4.110 4.727     .  0 0 "[    .    1    .    2]" 1 
       1775 1  86 TYR QD   1  88 VAL MG2  . . 3.960 2.953 2.752 3.196     .  0 0 "[    .    1    .    2]" 1 
       1776 1  86 TYR QD   1 115 LEU MD1  . . 3.370 2.568 2.238 2.804     .  0 0 "[    .    1    .    2]" 1 
       1777 1  86 TYR QD   1 115 LEU MD2  . . 5.500 4.669 4.285 4.950     .  0 0 "[    .    1    .    2]" 1 
       1778 1  86 TYR QD   1 118 MET HB2  . . 4.010 3.201 2.903 3.559     .  0 0 "[    .    1    .    2]" 1 
       1779 1  86 TYR QD   1 118 MET HB3  . . 3.920 2.971 2.620 3.310     .  0 0 "[    .    1    .    2]" 1 
       1780 1  86 TYR QD   1 118 MET ME   . . 4.710 4.120 3.822 4.362     .  0 0 "[    .    1    .    2]" 1 
       1781 1  86 TYR QD   1 118 MET HG2  . . 5.040 4.691 4.420 4.970     .  0 0 "[    .    1    .    2]" 1 
       1782 1  86 TYR QD   1 118 MET HG3  . . 4.080 3.573 3.317 3.840     .  0 0 "[    .    1    .    2]" 1 
       1783 1  86 TYR QD   1 122 LYS QE   . . 4.500 4.282 4.121 4.461     .  0 0 "[    .    1    .    2]" 1 
       1784 1  86 TYR QE   1 115 LEU MD1  . . 3.650 2.813 2.480 3.240     .  0 0 "[    .    1    .    2]" 1 
       1785 1  86 TYR QE   1 118 MET H    . . 5.130 4.610 4.382 4.956     .  0 0 "[    .    1    .    2]" 1 
       1786 1  86 TYR QE   1 118 MET HB2  . . 4.700 2.324 2.095 2.648     .  0 0 "[    .    1    .    2]" 1 
       1787 1  86 TYR QE   1 118 MET HB3  . . 3.730 2.428 2.093 2.653     .  0 0 "[    .    1    .    2]" 1 
       1788 1  86 TYR QE   1 118 MET ME   . . 4.690 4.024 3.631 4.398     .  0 0 "[    .    1    .    2]" 1 
       1789 1  86 TYR QE   1 118 MET HG2  . . 4.900 4.576 4.336 4.844     .  0 0 "[    .    1    .    2]" 1 
       1790 1  86 TYR QE   1 118 MET HG3  . . 4.520 4.181 3.973 4.369     .  0 0 "[    .    1    .    2]" 1 
       1791 1  86 TYR QE   1 119 ALA H    . . 3.790 3.690 3.571 3.780     .  0 0 "[    .    1    .    2]" 1 
       1792 1  86 TYR QE   1 119 ALA MB   . . 3.570 3.446 3.307 3.556     .  0 0 "[    .    1    .    2]" 1 
       1793 1  86 TYR QE   1 122 LYS HD3  . . 4.500 4.381 3.815 4.500 0.000 17 0 "[    .    1    .    2]" 1 
       1794 1  86 TYR QE   1 122 LYS HE2  . . 4.880 4.252 3.245 4.692     .  0 0 "[    .    1    .    2]" 1 
       1795 1  86 TYR QE   1 122 LYS QE   . . 4.150 3.345 3.115 3.626     .  0 0 "[    .    1    .    2]" 1 
       1796 1  86 TYR QE   1 122 LYS HE3  . . 4.880 3.722 3.192 4.839     .  0 0 "[    .    1    .    2]" 1 
       1797 1  86 TYR QE   1 122 LYS QG   . . 4.770 3.554 3.186 3.942     .  0 0 "[    .    1    .    2]" 1 
       1798 1  87 GLY H    1  88 VAL H    . . 2.990 2.130 1.955 2.224     .  0 0 "[    .    1    .    2]" 1 
       1799 1  87 GLY H    1  88 VAL HA   . . 4.850 4.442 4.394 4.485     .  0 0 "[    .    1    .    2]" 1 
       1800 1  87 GLY H    1  88 VAL HB   . . 4.210 3.959 3.867 4.044     .  0 0 "[    .    1    .    2]" 1 
       1801 1  87 GLY H    1  88 VAL MG2  . . 4.120 2.698 2.543 2.785     .  0 0 "[    .    1    .    2]" 1 
       1802 1  87 GLY H    1 118 MET ME   . . 4.720 4.446 4.233 4.721 0.001 11 0 "[    .    1    .    2]" 1 
       1803 1  87 GLY QA   1 118 MET ME   . . 3.130 2.224 1.928 2.614     .  0 0 "[    .    1    .    2]" 1 
       1804 1  87 GLY QA   1 118 MET HG3  . . 4.460 3.375 3.191 3.563     .  0 0 "[    .    1    .    2]" 1 
       1805 1  87 GLY HA2  1 118 MET ME   . . 3.820 3.281 2.934 3.573     .  0 0 "[    .    1    .    2]" 1 
       1806 1  87 GLY HA3  1 118 MET ME   . . 3.820 2.265 1.955 2.687     .  0 0 "[    .    1    .    2]" 1 
       1807 1  88 VAL H    1  88 VAL HB   . . 3.100 2.839 2.777 2.893     .  0 0 "[    .    1    .    2]" 1 
       1808 1  88 VAL H    1  88 VAL MG1  . . 4.350 3.935 3.907 3.951     .  0 0 "[    .    1    .    2]" 1 
       1809 1  88 VAL H    1  88 VAL MG2  . . 3.040 2.780 2.619 2.909     .  0 0 "[    .    1    .    2]" 1 
       1810 1  88 VAL H    1  89 LYS H    . . 4.320 4.147 4.004 4.278     .  0 0 "[    .    1    .    2]" 1 
       1811 1  88 VAL H    1  93 ILE MD   . . 4.680 4.176 3.944 4.320     .  0 0 "[    .    1    .    2]" 1 
       1812 1  88 VAL H    1 118 MET ME   . . 4.920 4.620 4.468 4.750     .  0 0 "[    .    1    .    2]" 1 
       1813 1  88 VAL HA   1  88 VAL MG1  . . 3.250 2.306 2.162 2.416     .  0 0 "[    .    1    .    2]" 1 
       1814 1  88 VAL HA   1  88 VAL MG2  . . 3.330 2.406 2.332 2.493     .  0 0 "[    .    1    .    2]" 1 
       1815 1  88 VAL HA   1  89 LYS H    . . 2.840 2.148 2.139 2.173     .  0 0 "[    .    1    .    2]" 1 
       1816 1  88 VAL HA   1 118 MET ME   . . 4.280 4.179 4.010 4.267     .  0 0 "[    .    1    .    2]" 1 
       1817 1  88 VAL HA   1 118 MET HG3  . . 4.570 3.597 3.359 3.871     .  0 0 "[    .    1    .    2]" 1 
       1818 1  88 VAL HB   1  93 ILE MD   . . 4.040 2.451 2.125 2.819     .  0 0 "[    .    1    .    2]" 1 
       1819 1  88 VAL MG1  1  89 LYS H    . . 3.210 2.840 2.406 3.195     .  0 0 "[    .    1    .    2]" 1 
       1820 1  88 VAL MG1  1  89 LYS HA   . . 4.660 4.345 4.106 4.635     .  0 0 "[    .    1    .    2]" 1 
       1821 1  88 VAL MG1  1  89 LYS QB   . . 4.660 3.856 3.667 4.055     .  0 0 "[    .    1    .    2]" 1 
       1822 1  88 VAL MG1  1  92 ASP H    . . 4.640 3.921 3.787 4.035     .  0 0 "[    .    1    .    2]" 1 
       1823 1  88 VAL MG1  1  92 ASP HB2  . . 3.490 3.090 2.608 3.288     .  0 0 "[    .    1    .    2]" 1 
       1824 1  88 VAL MG1  1  92 ASP HB3  . . 3.600 3.238 2.705 3.451     .  0 0 "[    .    1    .    2]" 1 
       1825 1  88 VAL MG1  1  93 ILE H    . . 4.330 4.214 4.031 4.328     .  0 0 "[    .    1    .    2]" 1 
       1826 1  88 VAL MG1  1  93 ILE HA   . . 4.250 3.544 3.304 3.714     .  0 0 "[    .    1    .    2]" 1 
       1827 1  88 VAL MG1  1  93 ILE MD   . . 3.280 2.697 2.396 3.079     .  0 0 "[    .    1    .    2]" 1 
       1828 1  88 VAL MG1  1  93 ILE HG12 . . 3.950 2.416 2.136 2.650     .  0 0 "[    .    1    .    2]" 1 
       1829 1  88 VAL MG1  1  93 ILE HG13 . . 3.820 2.100 1.972 2.246     .  0 0 "[    .    1    .    2]" 1 
       1830 1  88 VAL MG1  1 111 THR HA   . . 4.340 3.540 3.240 3.798     .  0 0 "[    .    1    .    2]" 1 
       1831 1  88 VAL MG1  1 111 THR MG   . . 3.360 2.517 2.250 2.704     .  0 0 "[    .    1    .    2]" 1 
       1832 1  88 VAL MG1  1 114 ALA H    . . 5.130 4.908 4.736 5.084     .  0 0 "[    .    1    .    2]" 1 
       1833 1  88 VAL MG1  1 114 ALA MB   . . 2.970 2.789 2.571 2.927     .  0 0 "[    .    1    .    2]" 1 
       1834 1  88 VAL MG2  1  89 LYS H    . . 4.300 4.194 4.081 4.296     .  0 0 "[    .    1    .    2]" 1 
       1835 1  88 VAL MG2  1 111 THR MG   . . 4.280 3.688 3.428 3.894     .  0 0 "[    .    1    .    2]" 1 
       1836 1  88 VAL MG2  1 115 LEU H    . . 3.810 3.713 3.560 3.804     .  0 0 "[    .    1    .    2]" 1 
       1837 1  88 VAL MG2  1 115 LEU HA   . . 3.340 2.753 2.542 2.865     .  0 0 "[    .    1    .    2]" 1 
       1838 1  88 VAL MG2  1 115 LEU HB2  . . 4.320 3.063 2.864 3.261     .  0 0 "[    .    1    .    2]" 1 
       1839 1  88 VAL MG2  1 118 MET H    . . 4.900 4.833 4.712 4.896     .  0 0 "[    .    1    .    2]" 1 
       1840 1  88 VAL MG2  1 118 MET HB2  . . 4.470 3.606 3.410 3.811     .  0 0 "[    .    1    .    2]" 1 
       1841 1  88 VAL MG2  1 118 MET HB3  . . 4.440 3.778 3.588 3.993     .  0 0 "[    .    1    .    2]" 1 
       1842 1  88 VAL MG2  1 118 MET ME   . . 3.820 3.791 3.746 3.821 0.001  2 0 "[    .    1    .    2]" 1 
       1843 1  88 VAL MG2  1 118 MET HG2  . . 3.950 3.080 2.916 3.311     .  0 0 "[    .    1    .    2]" 1 
       1844 1  88 VAL MG2  1 118 MET HG3  . . 4.120 2.100 2.033 2.223     .  0 0 "[    .    1    .    2]" 1 
       1845 1  89 LYS H    1  89 LYS QB   . . 3.050 2.221 2.158 2.317     .  0 0 "[    .    1    .    2]" 1 
       1846 1  89 LYS H    1  89 LYS HD2  . . 4.780 3.183 2.080 4.343     .  0 0 "[    .    1    .    2]" 1 
       1847 1  89 LYS H    1  89 LYS HD3  . . 4.780 3.273 1.903 4.760     .  0 0 "[    .    1    .    2]" 1 
       1848 1  89 LYS H    1  89 LYS HG2  . . 4.180 3.926 2.572 4.170     .  0 0 "[    .    1    .    2]" 1 
       1849 1  89 LYS H    1  89 LYS HG3  . . 4.180 3.492 2.659 3.998     .  0 0 "[    .    1    .    2]" 1 
       1850 1  89 LYS H    1  92 ASP HB2  . . 4.270 3.748 3.473 3.929     .  0 0 "[    .    1    .    2]" 1 
       1851 1  89 LYS H    1  92 ASP HB3  . . 5.240 5.038 4.675 5.238     .  0 0 "[    .    1    .    2]" 1 
       1852 1  89 LYS H    1 118 MET ME   . . 5.500 5.358 5.167 5.492     .  0 0 "[    .    1    .    2]" 1 
       1853 1  89 LYS HA   1  89 LYS HD2  . . 4.920 3.513 2.189 4.522     .  0 0 "[    .    1    .    2]" 1 
       1854 1  89 LYS HA   1  89 LYS QD   . . 4.210 3.123 1.868 4.079     .  0 0 "[    .    1    .    2]" 1 
       1855 1  89 LYS HA   1  89 LYS HD3  . . 4.920 3.740 1.994 4.707     .  0 0 "[    .    1    .    2]" 1 
       1856 1  89 LYS HA   1  89 LYS HG2  . . 4.070 3.286 2.601 3.608     .  0 0 "[    .    1    .    2]" 1 
       1857 1  89 LYS HA   1  89 LYS HG3  . . 4.070 2.467 2.195 3.583     .  0 0 "[    .    1    .    2]" 1 
       1858 1  89 LYS HA   1  90 PRO HD2  . . 3.280 2.374 2.296 2.479     .  0 0 "[    .    1    .    2]" 1 
       1859 1  89 LYS HA   1  90 PRO QD   . . 2.860 2.076 2.033 2.137     .  0 0 "[    .    1    .    2]" 1 
       1860 1  89 LYS HA   1  90 PRO HD3  . . 3.280 2.293 2.268 2.334     .  0 0 "[    .    1    .    2]" 1 
       1861 1  89 LYS HA   1  90 PRO HG2  . . 4.680 4.492 4.428 4.577     .  0 0 "[    .    1    .    2]" 1 
       1862 1  89 LYS HA   1  90 PRO QG   . . 4.090 3.987 3.939 4.052     .  0 0 "[    .    1    .    2]" 1 
       1863 1  89 LYS HA   1  90 PRO HG3  . . 4.680 4.458 4.414 4.521     .  0 0 "[    .    1    .    2]" 1 
       1864 1  89 LYS QB   1  90 PRO HD2  . . 3.910 2.259 1.967 2.436     .  0 0 "[    .    1    .    2]" 1 
       1865 1  89 LYS QB   1  90 PRO QD   . . 3.370 2.236 1.954 2.404     .  0 0 "[    .    1    .    2]" 1 
       1866 1  89 LYS QB   1  90 PRO HD3  . . 3.910 3.568 3.347 3.697     .  0 0 "[    .    1    .    2]" 1 
       1867 1  89 LYS QB   1  91 HIS H    . . 4.660 2.257 2.185 2.429     .  0 0 "[    .    1    .    2]" 1 
       1868 1  89 LYS QB   1  91 HIS HD2  . . 5.070 3.933 2.206 5.072 0.002 16 0 "[    .    1    .    2]" 1 
       1869 1  89 LYS QB   1  91 HIS HE1  . . 4.190 3.243 2.284 4.166     .  0 0 "[    .    1    .    2]" 1 
       1870 1  89 LYS QB   1  92 ASP H    . . 4.520 3.194 2.904 3.498     .  0 0 "[    .    1    .    2]" 1 
       1871 1  89 LYS QB   1  92 ASP HB2  . . 4.640 3.042 2.588 3.319     .  0 0 "[    .    1    .    2]" 1 
       1872 1  89 LYS QG   1  90 PRO QD   . . 3.730 2.617 2.385 3.221     .  0 0 "[    .    1    .    2]" 1 
       1873 1  89 LYS QG   1  90 PRO QG   . . 4.690 4.267 4.062 4.768 0.078 16 0 "[    .    1    .    2]" 1 
       1874 1  90 PRO HA   1  92 ASP H    . . 4.640 3.716 3.486 4.089     .  0 0 "[    .    1    .    2]" 1 
       1875 1  90 PRO HA   1  93 ILE H    . . 4.440 3.548 3.293 3.877     .  0 0 "[    .    1    .    2]" 1 
       1876 1  90 PRO HA   1  93 ILE HB   . . 3.690 2.579 2.303 3.107     .  0 0 "[    .    1    .    2]" 1 
       1877 1  90 PRO HA   1  93 ILE MD   . . 3.100 2.023 1.975 2.112     .  0 0 "[    .    1    .    2]" 1 
       1878 1  90 PRO HA   1  93 ILE HG12 . . 4.630 4.488 4.359 4.617     .  0 0 "[    .    1    .    2]" 1 
       1879 1  90 PRO HA   1  93 ILE MG   . . 4.360 3.906 3.618 4.316     .  0 0 "[    .    1    .    2]" 1 
       1880 1  90 PRO HB2  1  93 ILE MD   . . 4.500 4.374 4.238 4.472     .  0 0 "[    .    1    .    2]" 1 
       1881 1  90 PRO HB3  1  91 HIS H    . . 4.380 4.328 4.181 4.386 0.006 18 0 "[    .    1    .    2]" 1 
       1882 1  90 PRO HB3  1  93 ILE MD   . . 4.050 3.485 3.308 3.694     .  0 0 "[    .    1    .    2]" 1 
       1883 1  90 PRO QG   1  91 HIS H    . . 4.960 2.780 2.435 2.929     .  0 0 "[    .    1    .    2]" 1 
       1884 1  91 HIS HA   1  91 HIS HD2  . . 5.180 4.273 2.897 4.889     .  0 0 "[    .    1    .    2]" 1 
       1885 1  91 HIS HA   1  93 ILE H    . . 4.150 3.813 3.651 3.913     .  0 0 "[    .    1    .    2]" 1 
       1886 1  91 HIS HD2  1  92 ASP H    . . 5.180 4.454 2.377 5.153     .  0 0 "[    .    1    .    2]" 1 
       1887 1  92 ASP H    1  92 ASP HB2  . . 3.650 2.441 2.294 2.596     .  0 0 "[    .    1    .    2]" 1 
       1888 1  92 ASP H    1  92 ASP HB3  . . 3.980 3.601 3.538 3.664     .  0 0 "[    .    1    .    2]" 1 
       1889 1  92 ASP H    1  93 ILE H    . . 3.010 2.247 2.038 2.586     .  0 0 "[    .    1    .    2]" 1 
       1890 1  92 ASP H    1  93 ILE HB   . . 4.390 4.058 3.909 4.278     .  0 0 "[    .    1    .    2]" 1 
       1891 1  92 ASP H    1  93 ILE MD   . . 5.170 4.218 4.033 4.433     .  0 0 "[    .    1    .    2]" 1 
       1892 1  92 ASP H    1  93 ILE HG13 . . 4.720 3.452 3.163 3.747     .  0 0 "[    .    1    .    2]" 1 
       1893 1  92 ASP HA   1 107 GLN HE21 . . 4.730 4.469 4.102 4.727     .  0 0 "[    .    1    .    2]" 1 
       1894 1  92 ASP HA   1 107 GLN QE   . . 3.970 3.204 2.922 3.586     .  0 0 "[    .    1    .    2]" 1 
       1895 1  92 ASP HA   1 107 GLN HE22 . . 4.730 3.288 2.991 3.738     .  0 0 "[    .    1    .    2]" 1 
       1896 1  92 ASP HB2  1  93 ILE H    . . 4.070 3.915 3.697 4.062     .  0 0 "[    .    1    .    2]" 1 
       1897 1  92 ASP HB2  1 114 ALA MB   . . 4.280 4.139 3.957 4.275     .  0 0 "[    .    1    .    2]" 1 
       1898 1  92 ASP HB3  1  93 ILE H    . . 4.330 4.217 4.140 4.274     .  0 0 "[    .    1    .    2]" 1 
       1899 1  92 ASP HB3  1 111 THR HA   . . 4.450 3.266 3.064 3.467     .  0 0 "[    .    1    .    2]" 1 
       1900 1  92 ASP HB3  1 111 THR MG   . . 5.110 4.190 3.808 4.478     .  0 0 "[    .    1    .    2]" 1 
       1901 1  92 ASP HB3  1 114 ALA MB   . . 3.470 3.332 3.158 3.467     .  0 0 "[    .    1    .    2]" 1 
       1902 1  93 ILE H    1  93 ILE HB   . . 2.910 2.472 2.397 2.561     .  0 0 "[    .    1    .    2]" 1 
       1903 1  93 ILE H    1  93 ILE MD   . . 3.940 3.841 3.713 3.924     .  0 0 "[    .    1    .    2]" 1 
       1904 1  93 ILE H    1  93 ILE HG12 . . 4.330 4.139 4.002 4.271     .  0 0 "[    .    1    .    2]" 1 
       1905 1  93 ILE H    1  93 ILE HG13 . . 3.970 2.931 2.810 3.094     .  0 0 "[    .    1    .    2]" 1 
       1906 1  93 ILE H    1  93 ILE MG   . . 3.950 3.753 3.712 3.803     .  0 0 "[    .    1    .    2]" 1 
       1907 1  93 ILE H    1  94 PHE H    . . 4.700 4.510 4.444 4.551     .  0 0 "[    .    1    .    2]" 1 
       1908 1  93 ILE H    1 111 THR MG   . . 4.520 4.396 4.178 4.525 0.005 17 0 "[    .    1    .    2]" 1 
       1909 1  93 ILE HA   1  93 ILE MD   . . 4.140 3.820 3.798 3.843     .  0 0 "[    .    1    .    2]" 1 
       1910 1  93 ILE HA   1  93 ILE HG12 . . 3.970 2.561 2.491 2.618     .  0 0 "[    .    1    .    2]" 1 
       1911 1  93 ILE HA   1  93 ILE HG13 . . 4.070 2.751 2.646 2.857     .  0 0 "[    .    1    .    2]" 1 
       1912 1  93 ILE HA   1  93 ILE MG   . . 3.330 2.431 2.381 2.484     .  0 0 "[    .    1    .    2]" 1 
       1913 1  93 ILE HA   1  94 PHE H    . . 3.000 2.233 2.190 2.309     .  0 0 "[    .    1    .    2]" 1 
       1914 1  93 ILE HA   1  94 PHE QD   . . 4.770 3.783 3.398 4.097     .  0 0 "[    .    1    .    2]" 1 
       1915 1  93 ILE HA   1 111 THR H    . . 5.010 4.863 4.485 4.997     .  0 0 "[    .    1    .    2]" 1 
       1916 1  93 ILE HA   1 111 THR HG1  . . 3.350 2.369 1.997 3.241     .  0 0 "[    .    1    .    2]" 1 
       1917 1  93 ILE HA   1 111 THR MG   . . 3.360 1.995 1.894 2.118     .  0 0 "[    .    1    .    2]" 1 
       1918 1  93 ILE HB   1  93 ILE MD   . . 3.480 2.349 2.247 2.438     .  0 0 "[    .    1    .    2]" 1 
       1919 1  93 ILE HB   1  94 PHE H    . . 4.200 4.031 3.878 4.159     .  0 0 "[    .    1    .    2]" 1 
       1920 1  93 ILE MD   1  93 ILE MG   . . 2.860 2.009 1.932 2.117     .  0 0 "[    .    1    .    2]" 1 
       1921 1  93 ILE MD   1  94 PHE H    . . 5.220 4.824 4.633 4.939     .  0 0 "[    .    1    .    2]" 1 
       1922 1  93 ILE MD   1 111 THR MG   . . 4.050 3.825 3.608 4.011     .  0 0 "[    .    1    .    2]" 1 
       1923 1  93 ILE HG12 1  94 PHE H    . . 4.090 3.994 3.865 4.090     .  0 0 "[    .    1    .    2]" 1 
       1924 1  93 ILE HG12 1 111 THR MG   . . 4.340 2.524 2.300 2.770     .  0 0 "[    .    1    .    2]" 1 
       1925 1  93 ILE MG   1  94 PHE H    . . 3.450 1.961 1.882 2.101     .  0 0 "[    .    1    .    2]" 1 
       1926 1  93 ILE MG   1  94 PHE QD   . . 4.490 3.521 3.148 3.737     .  0 0 "[    .    1    .    2]" 1 
       1927 1  93 ILE MG   1 111 THR HG1  . . 4.280 4.002 3.331 4.271     .  0 0 "[    .    1    .    2]" 1 
       1928 1  93 ILE MG   1 111 THR MG   . . 3.460 2.651 2.264 2.887     .  0 0 "[    .    1    .    2]" 1 
       1929 1  94 PHE H    1  94 PHE HB2  . . 3.930 3.632 3.612 3.658     .  0 0 "[    .    1    .    2]" 1 
       1930 1  94 PHE H    1  94 PHE QB   . . 3.330 2.643 2.574 2.693     .  0 0 "[    .    1    .    2]" 1 
       1931 1  94 PHE H    1  94 PHE HB3  . . 3.930 2.715 2.633 2.772     .  0 0 "[    .    1    .    2]" 1 
       1932 1  94 PHE H    1  94 PHE QD   . . 3.310 2.336 1.898 2.632     .  0 0 "[    .    1    .    2]" 1 
       1933 1  94 PHE H    1  95 GLU H    . . 4.830 4.587 4.552 4.603     .  0 0 "[    .    1    .    2]" 1 
       1934 1  94 PHE H    1 107 GLN HG3  . . 4.530 4.238 3.935 4.452     .  0 0 "[    .    1    .    2]" 1 
       1935 1  94 PHE H    1 111 THR HA   . . 5.280 4.855 4.696 5.102     .  0 0 "[    .    1    .    2]" 1 
       1936 1  94 PHE H    1 111 THR HG1  . . 3.290 2.758 2.008 3.115     .  0 0 "[    .    1    .    2]" 1 
       1937 1  94 PHE H    1 111 THR MG   . . 3.500 2.429 2.124 2.806     .  0 0 "[    .    1    .    2]" 1 
       1938 1  94 PHE HA   1  94 PHE QD   . . 4.250 3.723 3.705 3.728     .  0 0 "[    .    1    .    2]" 1 
       1939 1  94 PHE HA   1  95 GLU H    . . 3.030 2.359 2.215 2.523     .  0 0 "[    .    1    .    2]" 1 
       1940 1  94 PHE HA   1  95 GLU HB2  . . 4.770 4.454 4.361 4.549     .  0 0 "[    .    1    .    2]" 1 
       1941 1  94 PHE HA   1 107 GLN QB   . . 5.030 4.041 3.677 4.630     .  0 0 "[    .    1    .    2]" 1 
       1942 1  94 PHE HA   1 107 GLN HG2  . . 3.820 3.106 2.836 3.381     .  0 0 "[    .    1    .    2]" 1 
       1943 1  94 PHE HA   1 107 GLN HG3  . . 3.980 2.225 2.049 2.818     .  0 0 "[    .    1    .    2]" 1 
       1944 1  94 PHE HA   1 108 VAL MG2  . . 4.990 4.186 3.953 4.379     .  0 0 "[    .    1    .    2]" 1 
       1945 1  94 PHE QB   1  95 GLU H    . . 3.300 2.532 2.179 2.903     .  0 0 "[    .    1    .    2]" 1 
       1946 1  94 PHE QB   1  98 ASP QB   . . 3.810 2.050 1.826 2.271     .  0 0 "[    .    1    .    2]" 1 
       1947 1  94 PHE QB   1 107 GLN HG3  . . 3.660 2.341 1.933 2.550     .  0 0 "[    .    1    .    2]" 1 
       1948 1  94 PHE QB   1 108 VAL H    . . 4.420 3.465 3.160 3.709     .  0 0 "[    .    1    .    2]" 1 
       1949 1  94 PHE QB   1 108 VAL HA   . . 3.940 2.064 1.977 2.306     .  0 0 "[    .    1    .    2]" 1 
       1950 1  94 PHE QB   1 108 VAL MG2  . . 3.590 2.100 1.905 2.277     .  0 0 "[    .    1    .    2]" 1 
       1951 1  94 PHE HB2  1 107 GLN HG2  . . 4.570 4.046 3.538 4.344     .  0 0 "[    .    1    .    2]" 1 
       1952 1  94 PHE HB2  1 107 GLN HG3  . . 4.320 2.935 2.447 3.283     .  0 0 "[    .    1    .    2]" 1 
       1953 1  94 PHE HB2  1 108 VAL MG2  . . 4.170 2.249 2.006 2.433     .  0 0 "[    .    1    .    2]" 1 
       1954 1  94 PHE HB3  1 107 GLN HG2  . . 4.570 4.104 3.715 4.451     .  0 0 "[    .    1    .    2]" 1 
       1955 1  94 PHE HB3  1 107 GLN HG3  . . 4.320 2.464 2.025 2.712     .  0 0 "[    .    1    .    2]" 1 
       1956 1  94 PHE HB3  1 108 VAL MG2  . . 4.170 2.530 2.211 2.831     .  0 0 "[    .    1    .    2]" 1 
       1957 1  94 PHE QD   1  95 GLU H    . . 4.140 3.346 2.924 3.728     .  0 0 "[    .    1    .    2]" 1 
       1958 1  94 PHE QD   1  95 GLU HB2  . . 5.090 4.832 4.641 4.986     .  0 0 "[    .    1    .    2]" 1 
       1959 1  94 PHE QD   1  96 ALA HA   . . 4.180 3.913 3.795 4.180     .  0 0 "[    .    1    .    2]" 1 
       1960 1  94 PHE QD   1  98 ASP H    . . 4.580 4.183 3.746 4.567     .  0 0 "[    .    1    .    2]" 1 
       1961 1  94 PHE QD   1  98 ASP QB   . . 4.130 2.577 2.290 2.910     .  0 0 "[    .    1    .    2]" 1 
       1962 1  94 PHE QD   1  99 LEU H    . . 4.720 3.223 2.749 3.532     .  0 0 "[    .    1    .    2]" 1 
       1963 1  94 PHE QD   1  99 LEU HB3  . . 4.550 3.787 3.457 4.221     .  0 0 "[    .    1    .    2]" 1 
       1964 1  94 PHE QD   1 107 GLN HG3  . . 4.560 4.387 4.073 4.556     .  0 0 "[    .    1    .    2]" 1 
       1965 1  94 PHE QD   1 108 VAL HA   . . 3.490 2.355 2.049 2.648     .  0 0 "[    .    1    .    2]" 1 
       1966 1  94 PHE QD   1 108 VAL MG1  . . 4.080 3.008 2.694 3.388     .  0 0 "[    .    1    .    2]" 1 
       1967 1  94 PHE QD   1 108 VAL MG2  . . 4.000 2.887 2.430 3.303     .  0 0 "[    .    1    .    2]" 1 
       1968 1  94 PHE QD   1 111 THR H    . . 4.300 4.119 3.844 4.304 0.004 14 0 "[    .    1    .    2]" 1 
       1969 1  94 PHE QD   1 111 THR HG1  . . 4.280 2.982 2.118 3.496     .  0 0 "[    .    1    .    2]" 1 
       1970 1  94 PHE QD   1 111 THR MG   . . 3.460 2.417 2.089 2.809     .  0 0 "[    .    1    .    2]" 1 
       1971 1  94 PHE QD   1 112 LEU H    . . 4.980 4.647 4.403 4.970     .  0 0 "[    .    1    .    2]" 1 
       1972 1  94 PHE QE   1  96 ALA HA   . . 3.910 3.742 3.542 3.893     .  0 0 "[    .    1    .    2]" 1 
       1973 1  94 PHE QE   1  96 ALA MB   . . 5.180 5.051 4.854 5.181 0.001 14 0 "[    .    1    .    2]" 1 
       1974 1  94 PHE QE   1  99 LEU H    . . 4.780 4.183 3.783 4.511     .  0 0 "[    .    1    .    2]" 1 
       1975 1  94 PHE QE   1  99 LEU HB2  . . 4.420 2.853 2.141 3.634     .  0 0 "[    .    1    .    2]" 1 
       1976 1  94 PHE QE   1  99 LEU HB3  . . 4.070 3.068 2.456 3.600     .  0 0 "[    .    1    .    2]" 1 
       1977 1  94 PHE QE   1  99 LEU MD1  . . 4.760 3.993 3.286 4.524     .  0 0 "[    .    1    .    2]" 1 
       1978 1  94 PHE QE   1  99 LEU MD2  . . 3.860 2.595 2.192 3.034     .  0 0 "[    .    1    .    2]" 1 
       1979 1  94 PHE QE   1 108 VAL HA   . . 4.460 4.124 3.855 4.397     .  0 0 "[    .    1    .    2]" 1 
       1980 1  94 PHE QE   1 108 VAL MG1  . . 4.190 3.080 2.745 3.326     .  0 0 "[    .    1    .    2]" 1 
       1981 1  94 PHE QE   1 108 VAL MG2  . . 4.570 3.758 3.187 4.236     .  0 0 "[    .    1    .    2]" 1 
       1982 1  94 PHE QE   1 111 THR MG   . . 3.520 2.706 2.398 3.012     .  0 0 "[    .    1    .    2]" 1 
       1983 1  94 PHE QE   1 112 LEU MD2  . . 3.990 3.528 3.093 3.929     .  0 0 "[    .    1    .    2]" 1 
       1984 1  94 PHE QE   1 115 LEU MD2  . . 5.390 5.123 4.900 5.376     .  0 0 "[    .    1    .    2]" 1 
       1985 1  94 PHE HZ   1  99 LEU MD2  . . 3.840 2.749 2.498 3.110     .  0 0 "[    .    1    .    2]" 1 
       1986 1  94 PHE HZ   1 108 VAL MG1  . . 5.500 3.853 3.452 4.418     .  0 0 "[    .    1    .    2]" 1 
       1987 1  95 GLU H    1  95 GLU HB2  . . 3.320 2.282 2.195 2.334     .  0 0 "[    .    1    .    2]" 1 
       1988 1  95 GLU H    1  95 GLU HB3  . . 3.620 3.544 3.498 3.581     .  0 0 "[    .    1    .    2]" 1 
       1989 1  95 GLU H    1  95 GLU HG2  . . 4.330 3.747 2.834 4.324     .  0 0 "[    .    1    .    2]" 1 
       1990 1  95 GLU H    1  95 GLU QG   . . 3.730 3.066 2.604 3.554     .  0 0 "[    .    1    .    2]" 1 
       1991 1  95 GLU H    1  95 GLU HG3  . . 4.330 3.458 2.693 4.165     .  0 0 "[    .    1    .    2]" 1 
       1992 1  95 GLU H    1  96 ALA H    . . 4.700 4.581 4.541 4.623     .  0 0 "[    .    1    .    2]" 1 
       1993 1  95 GLU H    1  98 ASP H    . . 4.710 3.579 3.257 3.935     .  0 0 "[    .    1    .    2]" 1 
       1994 1  95 GLU H    1  98 ASP HB2  . . 4.300 2.175 1.906 2.790     .  0 0 "[    .    1    .    2]" 1 
       1995 1  95 GLU H    1  98 ASP QB   . . 3.750 2.142 1.889 2.729     .  0 0 "[    .    1    .    2]" 1 
       1996 1  95 GLU H    1  98 ASP HB3  . . 4.300 3.243 2.681 3.863     .  0 0 "[    .    1    .    2]" 1 
       1997 1  95 GLU H    1 107 GLN HG2  . . 4.320 3.894 3.539 4.236     .  0 0 "[    .    1    .    2]" 1 
       1998 1  95 GLU H    1 107 GLN HG3  . . 5.120 3.731 3.388 4.269     .  0 0 "[    .    1    .    2]" 1 
       1999 1  95 GLU HA   1  95 GLU HG2  . . 3.800 2.634 2.181 3.688     .  0 0 "[    .    1    .    2]" 1 
       2000 1  95 GLU HA   1  95 GLU HG3  . . 3.800 3.058 2.410 3.685     .  0 0 "[    .    1    .    2]" 1 
       2001 1  95 GLU HA   1  96 ALA H    . . 2.930 2.360 2.286 2.438     .  0 0 "[    .    1    .    2]" 1 
       2002 1  95 GLU HA   1  96 ALA HA   . . 4.750 4.296 4.293 4.300     .  0 0 "[    .    1    .    2]" 1 
       2003 1  95 GLU HA   1  96 ALA MB   . . 4.390 4.123 4.074 4.212     .  0 0 "[    .    1    .    2]" 1 
       2004 1  95 GLU HA   1  97 ASN H    . . 4.730 4.313 4.016 4.727     .  0 0 "[    .    1    .    2]" 1 
       2005 1  95 GLU HB2  1  96 ALA H    . . 4.080 3.898 3.761 4.078     .  0 0 "[    .    1    .    2]" 1 
       2006 1  95 GLU HB2  1  97 ASN H    . . 4.200 3.662 3.350 4.071     .  0 0 "[    .    1    .    2]" 1 
       2007 1  95 GLU HB3  1  96 ALA H    . . 3.760 2.574 2.387 2.810     .  0 0 "[    .    1    .    2]" 1 
       2008 1  95 GLU HB3  1  97 ASN H    . . 3.920 2.618 2.348 3.130     .  0 0 "[    .    1    .    2]" 1 
       2009 1  95 GLU QG   1  96 ALA H    . . 4.120 3.642 3.314 4.098     .  0 0 "[    .    1    .    2]" 1 
       2010 1  95 GLU QG   1  97 ASN H    . . 5.340 4.614 4.408 5.163     .  0 0 "[    .    1    .    2]" 1 
       2011 1  96 ALA H    1  96 ALA MB   . . 3.040 2.109 2.024 2.235     .  0 0 "[    .    1    .    2]" 1 
       2012 1  96 ALA H    1  97 ASN H    . . 3.810 2.828 2.633 3.088     .  0 0 "[    .    1    .    2]" 1 
       2013 1  96 ALA HA   1  99 LEU H    . . 4.530 3.965 3.815 4.203     .  0 0 "[    .    1    .    2]" 1 
       2014 1  96 ALA MB   1  97 ASN H    . . 3.240 2.664 2.182 2.893     .  0 0 "[    .    1    .    2]" 1 
       2015 1  96 ALA MB   1  98 ASP H    . . 4.930 4.480 4.073 4.714     .  0 0 "[    .    1    .    2]" 1 
       2016 1  96 ALA MB   1 100 PHE QB   . . 4.780 3.594 3.362 3.984     .  0 0 "[    .    1    .    2]" 1 
       2017 1  97 ASN H    1  97 ASN QB   . . 2.980 2.641 2.400 2.878     .  0 0 "[    .    1    .    2]" 1 
       2018 1  97 ASN H    1  97 ASN QD   . . 4.340 3.312 2.320 4.078     .  0 0 "[    .    1    .    2]" 1 
       2019 1  97 ASN H    1  98 ASP H    . . 3.380 2.496 2.347 2.826     .  0 0 "[    .    1    .    2]" 1 
       2020 1  97 ASN H    1  99 LEU H    . . 4.780 4.254 4.065 4.660     .  0 0 "[    .    1    .    2]" 1 
       2021 1  97 ASN H    1 100 PHE QB   . . 4.540 4.408 4.293 4.538     .  0 0 "[    .    1    .    2]" 1 
       2022 1  97 ASN H    1 101 GLU QG   . . 5.340 5.161 4.871 5.320     .  0 0 "[    .    1    .    2]" 1 
       2023 1  97 ASN HA   1  99 LEU H    . . 4.660 4.010 3.731 4.438     .  0 0 "[    .    1    .    2]" 1 
       2024 1  97 ASN HA   1 100 PHE H    . . 4.030 3.431 2.946 3.821     .  0 0 "[    .    1    .    2]" 1 
       2025 1  97 ASN HA   1 100 PHE QB   . . 3.580 2.315 2.107 2.519     .  0 0 "[    .    1    .    2]" 1 
       2026 1  97 ASN HA   1 100 PHE QD   . . 4.470 3.705 3.449 4.015     .  0 0 "[    .    1    .    2]" 1 
       2027 1  97 ASN HA   1 101 GLU H    . . 3.670 2.457 2.152 2.709     .  0 0 "[    .    1    .    2]" 1 
       2028 1  97 ASN HA   1 101 GLU QG   . . 4.590 2.727 2.486 3.012     .  0 0 "[    .    1    .    2]" 1 
       2029 1  97 ASN QB   1  97 ASN HD22 . . 3.720 3.273 3.213 3.406     .  0 0 "[    .    1    .    2]" 1 
       2030 1  97 ASN QB   1  98 ASP H    . . 4.770 2.977 2.325 3.720     .  0 0 "[    .    1    .    2]" 1 
       2031 1  97 ASN QB   1 101 GLU H    . . 4.330 3.601 3.259 3.840     .  0 0 "[    .    1    .    2]" 1 
       2032 1  97 ASN QB   1 101 GLU HB2  . . 4.570 2.838 2.399 3.306     .  0 0 "[    .    1    .    2]" 1 
       2033 1  97 ASN QB   1 101 GLU QB   . . 3.820 2.794 2.372 3.231     .  0 0 "[    .    1    .    2]" 1 
       2034 1  97 ASN QB   1 101 GLU HB3  . . 4.570 4.189 3.738 4.550     .  0 0 "[    .    1    .    2]" 1 
       2035 1  97 ASN QB   1 101 GLU HG2  . . 4.440 3.615 2.360 4.434     .  0 0 "[    .    1    .    2]" 1 
       2036 1  97 ASN QB   1 101 GLU QG   . . 3.840 2.680 2.255 3.049     .  0 0 "[    .    1    .    2]" 1 
       2037 1  97 ASN QB   1 101 GLU HG3  . . 4.440 2.910 2.363 3.799     .  0 0 "[    .    1    .    2]" 1 
       2038 1  98 ASP H    1  98 ASP HB2  . . 4.170 2.365 2.205 2.553     .  0 0 "[    .    1    .    2]" 1 
       2039 1  98 ASP H    1  98 ASP QB   . . 3.550 2.323 2.143 2.505     .  0 0 "[    .    1    .    2]" 1 
       2040 1  98 ASP H    1  98 ASP HB3  . . 4.170 3.442 2.844 3.622     .  0 0 "[    .    1    .    2]" 1 
       2041 1  98 ASP H    1  99 LEU H    . . 3.400 2.813 2.543 2.959     .  0 0 "[    .    1    .    2]" 1 
       2042 1  98 ASP HA   1 102 ASN HA   . . 4.910 4.459 4.223 4.867     .  0 0 "[    .    1    .    2]" 1 
       2043 1  98 ASP HA   1 103 THR H    . . 3.670 3.039 2.742 3.419     .  0 0 "[    .    1    .    2]" 1 
       2044 1  98 ASP HA   1 103 THR HB   . . 4.630 4.396 3.912 4.616     .  0 0 "[    .    1    .    2]" 1 
       2045 1  98 ASP HA   1 103 THR MG   . . 4.480 3.446 1.833 4.469     .  0 0 "[    .    1    .    2]" 1 
       2046 1  98 ASP HA   1 104 ASN H    . . 3.520 2.464 1.908 3.284     .  0 0 "[    .    1    .    2]" 1 
       2047 1  98 ASP HA   1 104 ASN HB2  . . 4.750 3.451 2.062 4.682     .  0 0 "[    .    1    .    2]" 1 
       2048 1  98 ASP HA   1 104 ASN HB3  . . 4.750 3.507 2.760 4.400     .  0 0 "[    .    1    .    2]" 1 
       2049 1  98 ASP HA   1 108 VAL MG2  . . 5.330 4.137 3.848 4.322     .  0 0 "[    .    1    .    2]" 1 
       2050 1  98 ASP QB   1  99 LEU H    . . 3.860 2.668 2.310 2.911     .  0 0 "[    .    1    .    2]" 1 
       2051 1  98 ASP QB   1 107 GLN HG2  . . 4.740 3.930 3.464 4.192     .  0 0 "[    .    1    .    2]" 1 
       2052 1  98 ASP QB   1 108 VAL H    . . 4.940 4.114 3.647 4.867     .  0 0 "[    .    1    .    2]" 1 
       2053 1  98 ASP QB   1 108 VAL MG2  . . 3.660 2.376 2.079 2.765     .  0 0 "[    .    1    .    2]" 1 
       2054 1  98 ASP HB2  1  99 LEU H    . . 4.490 2.960 2.609 3.726     .  0 0 "[    .    1    .    2]" 1 
       2055 1  98 ASP HB2  1 108 VAL MG2  . . 4.190 3.333 2.796 4.135     .  0 0 "[    .    1    .    2]" 1 
       2056 1  98 ASP HB3  1  99 LEU H    . . 4.490 3.371 2.346 3.710     .  0 0 "[    .    1    .    2]" 1 
       2057 1  98 ASP HB3  1 108 VAL MG2  . . 4.190 2.438 2.123 2.808     .  0 0 "[    .    1    .    2]" 1 
       2058 1  99 LEU H    1  99 LEU HB2  . . 3.450 2.693 2.508 2.859     .  0 0 "[    .    1    .    2]" 1 
       2059 1  99 LEU H    1  99 LEU HB3  . . 3.660 2.580 2.379 2.729     .  0 0 "[    .    1    .    2]" 1 
       2060 1  99 LEU H    1  99 LEU MD1  . . 4.500 4.105 3.992 4.251     .  0 0 "[    .    1    .    2]" 1 
       2061 1  99 LEU H    1  99 LEU MD2  . . 4.480 4.334 4.245 4.416     .  0 0 "[    .    1    .    2]" 1 
       2062 1  99 LEU H    1  99 LEU HG   . . 4.760 4.513 4.355 4.608     .  0 0 "[    .    1    .    2]" 1 
       2063 1  99 LEU H    1 100 PHE H    . . 3.390 2.355 2.065 2.502     .  0 0 "[    .    1    .    2]" 1 
       2064 1  99 LEU H    1 100 PHE QB   . . 4.280 4.034 3.849 4.135     .  0 0 "[    .    1    .    2]" 1 
       2065 1  99 LEU H    1 108 VAL MG2  . . 4.030 3.585 3.444 3.716     .  0 0 "[    .    1    .    2]" 1 
       2066 1  99 LEU HA   1  99 LEU MD1  . . 3.140 2.042 1.975 2.118     .  0 0 "[    .    1    .    2]" 1 
       2067 1  99 LEU HA   1  99 LEU MD2  . . 4.290 3.878 3.838 3.945     .  0 0 "[    .    1    .    2]" 1 
       2068 1  99 LEU HA   1 103 THR H    . . 5.170 4.807 4.420 5.105     .  0 0 "[    .    1    .    2]" 1 
       2069 1  99 LEU HA   1 104 ASN H    . . 5.330 4.900 4.355 5.219     .  0 0 "[    .    1    .    2]" 1 
       2070 1  99 LEU HA   1 108 VAL MG2  . . 3.430 2.686 2.512 2.891     .  0 0 "[    .    1    .    2]" 1 
       2071 1  99 LEU HB2  1  99 LEU MD1  . . 3.330 2.313 2.273 2.348     .  0 0 "[    .    1    .    2]" 1 
       2072 1  99 LEU HB2  1  99 LEU MD2  . . 3.420 2.413 2.334 2.527     .  0 0 "[    .    1    .    2]" 1 
       2073 1  99 LEU HB2  1 100 PHE H    . . 3.960 3.673 3.433 3.959     .  0 0 "[    .    1    .    2]" 1 
       2074 1  99 LEU HB2  1 108 VAL MG2  . . 3.900 2.410 2.118 2.605     .  0 0 "[    .    1    .    2]" 1 
       2075 1  99 LEU HB3  1  99 LEU MD1  . . 3.440 3.180 3.173 3.193     .  0 0 "[    .    1    .    2]" 1 
       2076 1  99 LEU HB3  1  99 LEU MD2  . . 3.240 2.283 2.154 2.361     .  0 0 "[    .    1    .    2]" 1 
       2077 1  99 LEU HB3  1 100 PHE H    . . 4.260 2.346 2.076 2.805     .  0 0 "[    .    1    .    2]" 1 
       2078 1  99 LEU HB3  1 108 VAL MG2  . . 4.060 3.899 3.659 4.043     .  0 0 "[    .    1    .    2]" 1 
       2079 1  99 LEU MD1  1 100 PHE H    . . 4.690 4.515 4.343 4.690     .  0 0 "[    .    1    .    2]" 1 
       2080 1  99 LEU MD1  1 105 HIS HD2  . . 5.500 5.331 4.937 5.500     . 14 0 "[    .    1    .    2]" 1 
       2081 1  99 LEU MD1  1 108 VAL MG1  . . 3.270 2.077 1.732 2.329     .  0 0 "[    .    1    .    2]" 1 
       2082 1  99 LEU MD1  1 108 VAL MG2  . . 3.350 2.193 1.924 2.573     .  0 0 "[    .    1    .    2]" 1 
       2083 1  99 LEU MD2  1 100 PHE H    . . 4.600 4.082 3.712 4.541     .  0 0 "[    .    1    .    2]" 1 
       2084 1  99 LEU MD2  1 100 PHE QB   . . 5.500 4.800 4.486 5.093     .  0 0 "[    .    1    .    2]" 1 
       2085 1  99 LEU MD2  1 108 VAL MG1  . . 3.910 3.125 2.760 3.472     .  0 0 "[    .    1    .    2]" 1 
       2086 1  99 LEU HG   1 100 PHE H    . . 4.390 3.803 3.407 4.182     .  0 0 "[    .    1    .    2]" 1 
       2087 1  99 LEU HG   1 100 PHE HA   . . 4.600 3.906 3.562 4.222     .  0 0 "[    .    1    .    2]" 1 
       2088 1  99 LEU HG   1 108 VAL MG2  . . 4.560 4.358 4.198 4.522     .  0 0 "[    .    1    .    2]" 1 
       2089 1 100 PHE H    1 100 PHE QB   . . 3.310 2.213 2.175 2.243     .  0 0 "[    .    1    .    2]" 1 
       2090 1 100 PHE H    1 100 PHE QD   . . 4.660 4.058 3.959 4.133     .  0 0 "[    .    1    .    2]" 1 
       2091 1 100 PHE H    1 101 GLU H    . . 3.860 3.004 2.782 3.214     .  0 0 "[    .    1    .    2]" 1 
       2092 1 100 PHE HA   1 100 PHE QD   . . 3.520 2.198 2.057 2.328     .  0 0 "[    .    1    .    2]" 1 
       2093 1 100 PHE HA   1 100 PHE QE   . . 4.460 4.308 4.230 4.368     .  0 0 "[    .    1    .    2]" 1 
       2094 1 100 PHE QB   1 101 GLU H    . . 3.630 2.090 1.922 2.302     .  0 0 "[    .    1    .    2]" 1 
       2095 1 100 PHE QB   1 101 GLU QG   . . 4.430 2.836 2.677 3.054     .  0 0 "[    .    1    .    2]" 1 
       2096 1 100 PHE QD   1 101 GLU H    . . 4.670 3.589 3.240 3.830     .  0 0 "[    .    1    .    2]" 1 
       2097 1 100 PHE QD   1 101 GLU QB   . . 5.340 4.512 4.266 4.802     .  0 0 "[    .    1    .    2]" 1 
       2098 1 100 PHE QD   1 101 GLU HG2  . . 4.200 2.842 2.354 3.803     .  0 0 "[    .    1    .    2]" 1 
       2099 1 100 PHE QD   1 101 GLU HG3  . . 4.200 3.584 2.709 4.187     .  0 0 "[    .    1    .    2]" 1 
       2100 1 101 GLU H    1 101 GLU HB2  . . 3.970 2.478 2.358 2.643     .  0 0 "[    .    1    .    2]" 1 
       2101 1 101 GLU H    1 101 GLU QB   . . 3.320 2.437 2.328 2.582     .  0 0 "[    .    1    .    2]" 1 
       2102 1 101 GLU H    1 101 GLU HB3  . . 3.970 3.617 3.587 3.657     .  0 0 "[    .    1    .    2]" 1 
       2103 1 101 GLU H    1 101 GLU HG2  . . 3.930 2.802 2.290 3.557     .  0 0 "[    .    1    .    2]" 1 
       2104 1 101 GLU H    1 101 GLU HG3  . . 3.930 3.217 2.325 3.913     .  0 0 "[    .    1    .    2]" 1 
       2105 1 101 GLU H    1 102 ASN H    . . 3.380 2.571 2.401 2.691     .  0 0 "[    .    1    .    2]" 1 
       2106 1 101 GLU H    1 102 ASN HA   . . 4.990 4.690 4.528 4.783     .  0 0 "[    .    1    .    2]" 1 
       2107 1 101 GLU H    1 103 THR H    . . 4.300 3.915 3.623 4.206     .  0 0 "[    .    1    .    2]" 1 
       2108 1 101 GLU H    1 103 THR MG   . . 4.610 4.050 3.241 4.601     .  0 0 "[    .    1    .    2]" 1 
       2109 1 101 GLU HA   1 101 GLU HG2  . . 3.800 2.809 2.293 3.389     .  0 0 "[    .    1    .    2]" 1 
       2110 1 101 GLU HA   1 101 GLU QG   . . 3.230 2.696 2.254 3.120     .  0 0 "[    .    1    .    2]" 1 
       2111 1 101 GLU HA   1 101 GLU HG3  . . 3.800 3.565 3.117 3.777     .  0 0 "[    .    1    .    2]" 1 
       2112 1 101 GLU QB   1 103 THR H    . . 4.520 2.985 2.742 3.454     .  0 0 "[    .    1    .    2]" 1 
       2113 1 101 GLU QB   1 103 THR MG   . . 3.320 2.157 1.765 2.909     .  0 0 "[    .    1    .    2]" 1 
       2114 1 101 GLU HB2  1 102 ASN H    . . 4.700 3.633 3.238 3.870     .  0 0 "[    .    1    .    2]" 1 
       2115 1 101 GLU HB2  1 103 THR MG   . . 3.940 2.305 1.824 2.999     .  0 0 "[    .    1    .    2]" 1 
       2116 1 101 GLU HB3  1 102 ASN H    . . 4.700 4.313 4.056 4.453     .  0 0 "[    .    1    .    2]" 1 
       2117 1 101 GLU HB3  1 103 THR MG   . . 3.940 2.747 2.087 3.914     .  0 0 "[    .    1    .    2]" 1 
       2118 1 102 ASN H    1 103 THR H    . . 3.860 2.905 2.632 3.130     .  0 0 "[    .    1    .    2]" 1 
       2119 1 102 ASN H    1 104 ASN H    . . 5.020 4.718 4.436 5.004     .  0 0 "[    .    1    .    2]" 1 
       2120 1 102 ASN HA   1 103 THR H    . . 3.220 2.830 2.624 2.953     .  0 0 "[    .    1    .    2]" 1 
       2121 1 102 ASN QB   1 105 HIS HE1  . . 4.580 4.012 3.711 4.413     .  0 0 "[    .    1    .    2]" 1 
       2122 1 102 ASN HB2  1 103 THR H    . . 4.740 4.315 4.083 4.514     .  0 0 "[    .    1    .    2]" 1 
       2123 1 102 ASN HB2  1 105 HIS HE1  . . 5.450 4.462 3.797 5.437     .  0 0 "[    .    1    .    2]" 1 
       2124 1 102 ASN HB3  1 103 THR H    . . 4.740 4.599 4.411 4.670     .  0 0 "[    .    1    .    2]" 1 
       2125 1 102 ASN HB3  1 105 HIS HE1  . . 5.450 5.042 3.971 5.451 0.001  5 0 "[    .    1    .    2]" 1 
       2126 1 103 THR H    1 103 THR HB   . . 3.930 3.367 2.543 3.693     .  0 0 "[    .    1    .    2]" 1 
       2127 1 103 THR H    1 103 THR MG   . . 3.540 2.330 1.894 2.989     .  0 0 "[    .    1    .    2]" 1 
       2128 1 103 THR H    1 104 ASN H    . . 3.260 2.508 2.053 2.822     .  0 0 "[    .    1    .    2]" 1 
       2129 1 103 THR HA   1 103 THR MG   . . 3.340 2.553 2.064 3.206     .  0 0 "[    .    1    .    2]" 1 
       2130 1 103 THR HB   1 104 ASN H    . . 4.200 3.828 3.193 4.177     .  0 0 "[    .    1    .    2]" 1 
       2131 1 103 THR MG   1 104 ASN H    . . 4.230 3.527 2.099 4.212     .  0 0 "[    .    1    .    2]" 1 
       2132 1 104 ASN H    1 104 ASN HB2  . . 3.810 2.859 2.455 3.132     .  0 0 "[    .    1    .    2]" 1 
       2133 1 104 ASN H    1 104 ASN HB3  . . 3.810 3.052 2.858 3.677     .  0 0 "[    .    1    .    2]" 1 
       2134 1 104 ASN H    1 105 HIS H    . . 4.500 3.841 3.052 4.162     .  0 0 "[    .    1    .    2]" 1 
       2135 1 104 ASN H    1 105 HIS HD2  . . 4.460 3.631 3.225 3.944     .  0 0 "[    .    1    .    2]" 1 
       2136 1 104 ASN H    1 108 VAL MG2  . . 4.780 4.222 3.927 4.605     .  0 0 "[    .    1    .    2]" 1 
       2137 1 104 ASN QB   1 104 ASN QD   . . 2.980 2.162 2.089 2.221     .  0 0 "[    .    1    .    2]" 1 
       2138 1 104 ASN QB   1 107 GLN H    . . 4.850 3.562 3.026 3.971     .  0 0 "[    .    1    .    2]" 1 
       2139 1 104 ASN QB   1 107 GLN QB   . . 3.320 2.141 1.918 2.479     .  0 0 "[    .    1    .    2]" 1 
       2140 1 104 ASN HB2  1 104 ASN HD22 . . 4.020 3.548 3.457 3.844     .  0 0 "[    .    1    .    2]" 1 
       2141 1 104 ASN HB2  1 107 GLN HB2  . . 4.590 3.975 3.487 4.295     .  0 0 "[    .    1    .    2]" 1 
       2142 1 104 ASN HB2  1 107 GLN HB3  . . 4.590 3.819 3.247 4.289     .  0 0 "[    .    1    .    2]" 1 
       2143 1 104 ASN HB3  1 104 ASN HD22 . . 4.020 3.695 3.451 3.825     .  0 0 "[    .    1    .    2]" 1 
       2144 1 104 ASN HB3  1 107 GLN HB2  . . 4.590 2.889 2.454 3.361     .  0 0 "[    .    1    .    2]" 1 
       2145 1 104 ASN HB3  1 107 GLN HB3  . . 4.590 2.243 2.008 2.692     .  0 0 "[    .    1    .    2]" 1 
       2146 1 104 ASN QD   1 107 GLN H    . . 4.560 3.707 3.332 4.163     .  0 0 "[    .    1    .    2]" 1 
       2147 1 104 ASN QD   1 107 GLN QB   . . 3.440 2.365 1.893 2.773     .  0 0 "[    .    1    .    2]" 1 
       2148 1 104 ASN HD21 1 107 GLN HB2  . . 4.560 2.834 1.934 3.217     .  0 0 "[    .    1    .    2]" 1 
       2149 1 104 ASN HD21 1 107 GLN HB3  . . 4.560 3.644 2.754 4.108     .  0 0 "[    .    1    .    2]" 1 
       2150 1 104 ASN HD22 1 107 GLN HB2  . . 4.560 2.779 2.241 3.708     .  0 0 "[    .    1    .    2]" 1 
       2151 1 104 ASN HD22 1 107 GLN HB3  . . 4.560 4.111 3.514 4.534     .  0 0 "[    .    1    .    2]" 1 
       2152 1 105 HIS HA   1 105 HIS HD2  . . 3.870 2.615 2.334 2.907     .  0 0 "[    .    1    .    2]" 1 
       2153 1 105 HIS HA   1 108 VAL H    . . 3.820 3.710 3.560 3.825 0.005  2 0 "[    .    1    .    2]" 1 
       2154 1 105 HIS HA   1 108 VAL HB   . . 3.700 3.284 3.102 3.527     .  0 0 "[    .    1    .    2]" 1 
       2155 1 105 HIS HA   1 108 VAL MG2  . . 3.910 3.167 2.987 3.393     .  0 0 "[    .    1    .    2]" 1 
       2156 1 105 HIS HA   1 109 GLN H    . . 4.520 4.445 4.180 4.532 0.012  2 0 "[    .    1    .    2]" 1 
       2157 1 105 HIS QB   1 106 THR H    . . 4.340 2.210 1.914 2.617     .  0 0 "[    .    1    .    2]" 1 
       2158 1 105 HIS QB   1 106 THR MG   . . 4.360 3.105 2.969 3.318     .  0 0 "[    .    1    .    2]" 1 
       2159 1 105 HIS QB   1 107 GLN H    . . 5.490 4.700 4.379 4.897     .  0 0 "[    .    1    .    2]" 1 
       2160 1 105 HIS QB   1 108 VAL H    . . 5.250 4.896 4.718 5.118     .  0 0 "[    .    1    .    2]" 1 
       2161 1 105 HIS QB   1 108 VAL MG2  . . 5.210 4.797 4.575 4.989     .  0 0 "[    .    1    .    2]" 1 
       2162 1 105 HIS HD2  1 108 VAL MG2  . . 5.140 4.533 4.175 4.777     .  0 0 "[    .    1    .    2]" 1 
       2163 1 106 THR H    1 106 THR HB   . . 4.200 3.622 3.578 3.645     .  0 0 "[    .    1    .    2]" 1 
       2164 1 106 THR H    1 106 THR MG   . . 4.330 2.096 1.930 2.332     .  0 0 "[    .    1    .    2]" 1 
       2165 1 106 THR H    1 107 GLN H    . . 3.870 3.002 2.698 3.196     .  0 0 "[    .    1    .    2]" 1 
       2166 1 106 THR HA   1 106 THR MG   . . 3.290 2.362 2.233 2.479     .  0 0 "[    .    1    .    2]" 1 
       2167 1 106 THR HB   1 107 GLN H    . . 4.390 3.426 3.171 3.830     .  0 0 "[    .    1    .    2]" 1 
       2168 1 106 THR HB   1 109 GLN H    . . 5.190 5.061 4.919 5.186     .  0 0 "[    .    1    .    2]" 1 
       2169 1 106 THR HB   1 109 GLN HB2  . . 4.940 4.871 4.751 4.949 0.009  2 0 "[    .    1    .    2]" 1 
       2170 1 106 THR HB   1 109 GLN HB3  . . 4.390 4.295 4.013 4.367     .  0 0 "[    .    1    .    2]" 1 
       2171 1 106 THR HB   1 110 SER H    . . 4.830 4.609 4.391 4.775     .  0 0 "[    .    1    .    2]" 1 
       2172 1 106 THR MG   1 107 GLN H    . . 4.150 3.754 3.550 3.935     .  0 0 "[    .    1    .    2]" 1 
       2173 1 106 THR MG   1 110 SER H    . . 5.500 5.440 5.265 5.500 0.000  3 0 "[    .    1    .    2]" 1 
       2174 1 107 GLN H    1 107 GLN HB2  . . 3.430 2.399 2.261 2.542     .  0 0 "[    .    1    .    2]" 1 
       2175 1 107 GLN H    1 107 GLN HB3  . . 3.430 2.701 2.558 2.932     .  0 0 "[    .    1    .    2]" 1 
       2176 1 107 GLN H    1 107 GLN HG2  . . 4.650 4.575 4.512 4.629     .  0 0 "[    .    1    .    2]" 1 
       2177 1 107 GLN H    1 108 VAL H    . . 3.400 2.971 2.805 3.138     .  0 0 "[    .    1    .    2]" 1 
       2178 1 107 GLN H    1 108 VAL MG2  . . 4.770 4.521 4.274 4.759     .  0 0 "[    .    1    .    2]" 1 
       2179 1 107 GLN H    1 109 GLN H    . . 4.550 4.274 4.052 4.477     .  0 0 "[    .    1    .    2]" 1 
       2180 1 107 GLN HA   1 109 GLN H    . . 4.990 4.553 4.341 4.848     .  0 0 "[    .    1    .    2]" 1 
       2181 1 107 GLN HA   1 110 SER H    . . 4.270 3.896 3.715 4.137     .  0 0 "[    .    1    .    2]" 1 
       2182 1 107 GLN QB   1 108 VAL H    . . 3.700 2.456 2.201 2.962     .  0 0 "[    .    1    .    2]" 1 
       2183 1 107 GLN QE   1 110 SER QB   . . 3.440 3.064 2.690 3.439     .  0 0 "[    .    1    .    2]" 1 
       2184 1 107 GLN QE   1 111 THR HA   . . 5.340 4.352 4.091 4.768     .  0 0 "[    .    1    .    2]" 1 
       2185 1 107 GLN QE   1 111 THR HG1  . . 3.780 2.675 2.259 3.299     .  0 0 "[    .    1    .    2]" 1 
       2186 1 107 GLN HE21 1 111 THR H    . . 4.560 3.540 3.171 3.805     .  0 0 "[    .    1    .    2]" 1 
       2187 1 107 GLN HE21 1 111 THR HG1  . . 4.330 2.758 2.365 3.433     .  0 0 "[    .    1    .    2]" 1 
       2188 1 107 GLN HE22 1 107 GLN HG3  . . 3.860 3.474 3.441 3.527     .  0 0 "[    .    1    .    2]" 1 
       2189 1 107 GLN HE22 1 111 THR H    . . 4.560 4.279 3.820 4.566 0.006  2 0 "[    .    1    .    2]" 1 
       2190 1 107 GLN HE22 1 111 THR HG1  . . 4.330 3.665 2.866 4.272     .  0 0 "[    .    1    .    2]" 1 
       2191 1 108 VAL H    1 108 VAL HB   . . 3.110 2.505 2.365 2.613     .  0 0 "[    .    1    .    2]" 1 
       2192 1 108 VAL H    1 108 VAL MG1  . . 4.160 3.760 3.722 3.799     .  0 0 "[    .    1    .    2]" 1 
       2193 1 108 VAL H    1 108 VAL MG2  . . 2.990 2.271 1.920 2.551     .  0 0 "[    .    1    .    2]" 1 
       2194 1 108 VAL H    1 109 GLN H    . . 3.400 2.615 2.291 2.724     .  0 0 "[    .    1    .    2]" 1 
       2195 1 108 VAL H    1 109 GLN HA   . . 5.480 5.217 4.931 5.314     .  0 0 "[    .    1    .    2]" 1 
       2196 1 108 VAL H    1 110 SER H    . . 4.560 4.397 3.828 4.552     .  0 0 "[    .    1    .    2]" 1 
       2197 1 108 VAL HA   1 108 VAL MG1  . . 3.380 2.415 2.333 2.494     .  0 0 "[    .    1    .    2]" 1 
       2198 1 108 VAL HA   1 108 VAL MG2  . . 3.390 2.342 2.219 2.461     .  0 0 "[    .    1    .    2]" 1 
       2199 1 108 VAL HA   1 111 THR H    . . 4.050 3.629 3.489 3.787     .  0 0 "[    .    1    .    2]" 1 
       2200 1 108 VAL HB   1 109 GLN H    . . 3.140 2.625 2.447 2.746     .  0 0 "[    .    1    .    2]" 1 
       2201 1 108 VAL MG1  1 109 GLN H    . . 3.850 3.454 3.149 3.671     .  0 0 "[    .    1    .    2]" 1 
       2202 1 108 VAL MG1  1 111 THR H    . . 4.740 4.638 4.462 4.739     .  0 0 "[    .    1    .    2]" 1 
       2203 1 108 VAL MG1  1 112 LEU MD1  . . 3.370 2.749 2.383 3.067     .  0 0 "[    .    1    .    2]" 1 
       2204 1 108 VAL MG1  1 112 LEU MD2  . . 3.940 3.555 3.155 3.905     .  0 0 "[    .    1    .    2]" 1 
       2205 1 108 VAL MG1  1 112 LEU HG   . . 3.760 3.094 2.901 3.398     .  0 0 "[    .    1    .    2]" 1 
       2206 1 108 VAL MG2  1 109 GLN H    . . 4.280 3.858 3.769 4.008     .  0 0 "[    .    1    .    2]" 1 
       2207 1 109 GLN H    1 109 GLN HB2  . . 4.000 2.229 2.174 2.431     .  0 0 "[    .    1    .    2]" 1 
       2208 1 109 GLN H    1 109 GLN HB3  . . 3.240 2.870 2.620 2.953     .  0 0 "[    .    1    .    2]" 1 
       2209 1 109 GLN H    1 109 GLN QG   . . 4.220 3.844 3.767 4.035     .  0 0 "[    .    1    .    2]" 1 
       2210 1 109 GLN H    1 110 SER H    . . 3.330 2.854 2.791 2.947     .  0 0 "[    .    1    .    2]" 1 
       2211 1 109 GLN H    1 110 SER QB   . . 5.130 4.710 4.519 5.088     .  0 0 "[    .    1    .    2]" 1 
       2212 1 109 GLN HA   1 109 GLN HG2  . . 4.140 2.621 2.183 3.778     .  0 0 "[    .    1    .    2]" 1 
       2213 1 109 GLN HA   1 109 GLN QG   . . 3.380 2.300 2.162 2.662     .  0 0 "[    .    1    .    2]" 1 
       2214 1 109 GLN HA   1 109 GLN HG3  . . 4.140 2.847 2.243 3.497     .  0 0 "[    .    1    .    2]" 1 
       2215 1 109 GLN HA   1 112 LEU H    . . 4.170 3.709 3.415 4.036     .  0 0 "[    .    1    .    2]" 1 
       2216 1 109 GLN HA   1 112 LEU HB2  . . 4.060 3.452 3.130 3.840     .  0 0 "[    .    1    .    2]" 1 
       2217 1 109 GLN HA   1 112 LEU MD1  . . 3.920 2.431 2.147 2.757     .  0 0 "[    .    1    .    2]" 1 
       2218 1 109 GLN HA   1 113 LEU H    . . 4.700 4.383 4.003 4.704 0.004  2 0 "[    .    1    .    2]" 1 
       2219 1 109 GLN HB2  1 110 SER H    . . 3.780 3.497 3.388 3.702     .  0 0 "[    .    1    .    2]" 1 
       2220 1 109 GLN HB3  1 110 SER H    . . 3.410 2.357 2.202 2.683     .  0 0 "[    .    1    .    2]" 1 
       2221 1 109 GLN HB3  1 110 SER HA   . . 4.690 3.912 3.829 4.130     .  0 0 "[    .    1    .    2]" 1 
       2222 1 109 GLN HB3  1 111 THR H    . . 5.500 5.001 4.789 5.384     .  0 0 "[    .    1    .    2]" 1 
       2223 1 109 GLN QG   1 112 LEU MD1  . . 5.050 3.481 3.228 4.242     .  0 0 "[    .    1    .    2]" 1 
       2224 1 110 SER H    1 110 SER QB   . . 3.070 2.381 2.174 2.619     .  0 0 "[    .    1    .    2]" 1 
       2225 1 110 SER H    1 111 THR H    . . 3.460 2.858 2.705 3.014     .  0 0 "[    .    1    .    2]" 1 
       2226 1 110 SER H    1 113 LEU MD1  . . 4.340 3.834 3.489 4.130     .  0 0 "[    .    1    .    2]" 1 
       2227 1 110 SER H    1 113 LEU HG   . . 4.580 4.434 4.198 4.578     .  0 0 "[    .    1    .    2]" 1 
       2228 1 110 SER HA   1 112 LEU H    . . 4.790 4.257 3.992 4.576     .  0 0 "[    .    1    .    2]" 1 
       2229 1 110 SER HA   1 113 LEU HB2  . . 3.940 2.614 2.396 2.821     .  0 0 "[    .    1    .    2]" 1 
       2230 1 110 SER HA   1 113 LEU HB3  . . 4.390 4.083 3.937 4.252     .  0 0 "[    .    1    .    2]" 1 
       2231 1 110 SER HA   1 113 LEU MD1  . . 3.520 2.162 1.950 2.517     .  0 0 "[    .    1    .    2]" 1 
       2232 1 110 SER QB   1 111 THR H    . . 3.120 2.459 2.143 3.105     .  0 0 "[    .    1    .    2]" 1 
       2233 1 111 THR H    1 111 THR HG1  . . 3.650 2.699 2.204 3.170     .  0 0 "[    .    1    .    2]" 1 
       2234 1 111 THR H    1 111 THR MG   . . 3.790 3.753 3.698 3.780     .  0 0 "[    .    1    .    2]" 1 
       2235 1 111 THR H    1 112 LEU H    . . 3.330 2.924 2.772 3.029     .  0 0 "[    .    1    .    2]" 1 
       2236 1 111 THR H    1 112 LEU MD1  . . 5.430 5.253 5.006 5.370     .  0 0 "[    .    1    .    2]" 1 
       2237 1 111 THR H    1 112 LEU HG   . . 5.500 4.593 4.320 4.845     .  0 0 "[    .    1    .    2]" 1 
       2238 1 111 THR HA   1 111 THR HG1  . . 3.350 2.613 2.251 3.336     .  0 0 "[    .    1    .    2]" 1 
       2239 1 111 THR HA   1 111 THR MG   . . 3.210 2.300 2.140 2.494     .  0 0 "[    .    1    .    2]" 1 
       2240 1 111 THR HA   1 114 ALA H    . . 4.320 3.976 3.773 4.146     .  0 0 "[    .    1    .    2]" 1 
       2241 1 111 THR HA   1 114 ALA MB   . . 3.460 3.314 3.095 3.452     .  0 0 "[    .    1    .    2]" 1 
       2242 1 111 THR HG1  1 111 THR MG   . . 3.360 2.475 1.997 2.989     .  0 0 "[    .    1    .    2]" 1 
       2243 1 111 THR MG   1 112 LEU H    . . 4.000 3.552 3.333 3.720     .  0 0 "[    .    1    .    2]" 1 
       2244 1 111 THR MG   1 112 LEU MD2  . . 3.860 3.610 3.291 3.854     .  0 0 "[    .    1    .    2]" 1 
       2245 1 111 THR MG   1 112 LEU HG   . . 4.370 3.930 3.547 4.282     .  0 0 "[    .    1    .    2]" 1 
       2246 1 111 THR MG   1 115 LEU HB2  . . 5.320 3.774 3.431 4.030     .  0 0 "[    .    1    .    2]" 1 
       2247 1 112 LEU H    1 112 LEU HB2  . . 3.360 2.536 2.430 2.683     .  0 0 "[    .    1    .    2]" 1 
       2248 1 112 LEU H    1 112 LEU MD1  . . 3.500 3.393 3.235 3.470     .  0 0 "[    .    1    .    2]" 1 
       2249 1 112 LEU H    1 112 LEU MD2  . . 3.850 3.482 3.112 3.694     .  0 0 "[    .    1    .    2]" 1 
       2250 1 112 LEU H    1 112 LEU HG   . . 3.460 2.189 1.900 2.417     .  0 0 "[    .    1    .    2]" 1 
       2251 1 112 LEU H    1 113 LEU H    . . 3.390 2.665 2.540 2.791     .  0 0 "[    .    1    .    2]" 1 
       2252 1 112 LEU HA   1 112 LEU MD1  . . 4.520 3.937 3.910 3.972     .  0 0 "[    .    1    .    2]" 1 
       2253 1 112 LEU HA   1 112 LEU MD2  . . 2.980 2.241 2.114 2.460     .  0 0 "[    .    1    .    2]" 1 
       2254 1 112 LEU HA   1 115 LEU H    . . 3.670 3.181 3.071 3.263     .  0 0 "[    .    1    .    2]" 1 
       2255 1 112 LEU HA   1 115 LEU HB2  . . 3.800 2.814 2.684 2.931     .  0 0 "[    .    1    .    2]" 1 
       2256 1 112 LEU HA   1 115 LEU MD1  . . 5.000 4.819 4.717 4.926     .  0 0 "[    .    1    .    2]" 1 
       2257 1 112 LEU HA   1 115 LEU MD2  . . 4.130 3.143 2.950 3.279     .  0 0 "[    .    1    .    2]" 1 
       2258 1 112 LEU HA   1 116 ALA H    . . 4.000 3.976 3.885 4.002 0.002  7 0 "[    .    1    .    2]" 1 
       2259 1 112 LEU HB2  1 112 LEU MD1  . . 3.380 2.188 2.014 2.292     .  0 0 "[    .    1    .    2]" 1 
       2260 1 112 LEU HB2  1 113 LEU H    . . 3.570 2.355 2.187 2.501     .  0 0 "[    .    1    .    2]" 1 
       2261 1 112 LEU HB2  1 113 LEU MD2  . . 4.350 3.914 3.635 4.196     .  0 0 "[    .    1    .    2]" 1 
       2262 1 112 LEU HB2  1 114 ALA H    . . 5.090 4.854 4.702 4.984     .  0 0 "[    .    1    .    2]" 1 
       2263 1 112 LEU HB2  1 115 LEU H    . . 5.500 5.440 5.344 5.499     .  0 0 "[    .    1    .    2]" 1 
       2264 1 112 LEU HB3  1 112 LEU MD1  . . 3.440 2.497 2.396 2.618     .  0 0 "[    .    1    .    2]" 1 
       2265 1 112 LEU HB3  1 112 LEU MD2  . . 3.350 2.259 2.137 2.317     .  0 0 "[    .    1    .    2]" 1 
       2266 1 112 LEU HB3  1 113 LEU H    . . 3.890 3.512 3.358 3.691     .  0 0 "[    .    1    .    2]" 1 
       2267 1 112 LEU MD1  1 113 LEU H    . . 4.300 4.104 3.863 4.282     .  0 0 "[    .    1    .    2]" 1 
       2268 1 112 LEU MD2  1 115 LEU H    . . 5.370 4.917 4.802 5.117     .  0 0 "[    .    1    .    2]" 1 
       2269 1 112 LEU MD2  1 115 LEU HB2  . . 4.170 3.872 3.652 4.072     .  0 0 "[    .    1    .    2]" 1 
       2270 1 113 LEU H    1 113 LEU HB2  . . 3.220 2.586 2.489 2.643     .  0 0 "[    .    1    .    2]" 1 
       2271 1 113 LEU H    1 113 LEU HB3  . . 3.670 3.602 3.589 3.618     .  0 0 "[    .    1    .    2]" 1 
       2272 1 113 LEU H    1 113 LEU MD1  . . 3.750 3.616 3.446 3.746     .  0 0 "[    .    1    .    2]" 1 
       2273 1 113 LEU H    1 113 LEU MD2  . . 3.960 3.147 2.911 3.390     .  0 0 "[    .    1    .    2]" 1 
       2274 1 113 LEU H    1 113 LEU HG   . . 3.130 2.154 2.035 2.318     .  0 0 "[    .    1    .    2]" 1 
       2275 1 113 LEU H    1 114 ALA H    . . 3.340 2.929 2.834 3.066     .  0 0 "[    .    1    .    2]" 1 
       2276 1 113 LEU HA   1 113 LEU MD2  . . 2.980 2.089 1.968 2.330     .  0 0 "[    .    1    .    2]" 1 
       2277 1 113 LEU HA   1 113 LEU HG   . . 3.840 3.095 2.967 3.202     .  0 0 "[    .    1    .    2]" 1 
       2278 1 113 LEU HA   1 116 ALA H    . . 4.290 4.092 4.004 4.164     .  0 0 "[    .    1    .    2]" 1 
       2279 1 113 LEU HA   1 116 ALA MB   . . 3.420 3.234 3.038 3.413     .  0 0 "[    .    1    .    2]" 1 
       2280 1 113 LEU HA   1 128 VAL MG1  . . 4.110 3.017 2.733 3.244     .  0 0 "[    .    1    .    2]" 1 
       2281 1 113 LEU HB2  1 113 LEU MD1  . . 3.400 2.287 2.144 2.396     .  0 0 "[    .    1    .    2]" 1 
       2282 1 113 LEU HB2  1 113 LEU MD2  . . 3.570 3.186 3.172 3.195     .  0 0 "[    .    1    .    2]" 1 
       2283 1 113 LEU HB2  1 114 ALA H    . . 3.560 2.654 2.454 2.761     .  0 0 "[    .    1    .    2]" 1 
       2284 1 113 LEU HB3  1 113 LEU MD1  . . 3.350 2.340 2.239 2.491     .  0 0 "[    .    1    .    2]" 1 
       2285 1 113 LEU HB3  1 113 LEU MD2  . . 3.090 2.323 2.171 2.389     .  0 0 "[    .    1    .    2]" 1 
       2286 1 113 LEU HB3  1 114 ALA H    . . 3.730 3.652 3.487 3.724     .  0 0 "[    .    1    .    2]" 1 
       2287 1 113 LEU HB3  1 128 VAL MG1  . . 4.570 4.383 4.053 4.569     .  0 0 "[    .    1    .    2]" 1 
       2288 1 113 LEU MD1  1 114 ALA H    . . 4.690 4.547 4.268 4.689     .  0 0 "[    .    1    .    2]" 1 
       2289 1 113 LEU HG   1 114 ALA H    . . 4.530 4.388 4.314 4.490     .  0 0 "[    .    1    .    2]" 1 
       2290 1 114 ALA H    1 114 ALA MB   . . 2.880 2.157 2.065 2.245     .  0 0 "[    .    1    .    2]" 1 
       2291 1 114 ALA H    1 115 LEU H    . . 3.290 2.578 2.489 2.661     .  0 0 "[    .    1    .    2]" 1 
       2292 1 114 ALA H    1 115 LEU HB2  . . 4.910 4.656 4.554 4.815     .  0 0 "[    .    1    .    2]" 1 
       2293 1 114 ALA HA   1 117 SER H    . . 3.700 3.530 3.466 3.632     .  0 0 "[    .    1    .    2]" 1 
       2294 1 114 ALA HA   1 117 SER QB   . . 3.550 3.144 2.991 3.378     .  0 0 "[    .    1    .    2]" 1 
       2295 1 114 ALA HA   1 118 MET H    . . 4.900 4.645 4.450 4.844     .  0 0 "[    .    1    .    2]" 1 
       2296 1 114 ALA MB   1 115 LEU H    . . 3.310 2.471 2.345 2.589     .  0 0 "[    .    1    .    2]" 1 
       2297 1 114 ALA MB   1 115 LEU HA   . . 4.290 3.734 3.605 3.782     .  0 0 "[    .    1    .    2]" 1 
       2298 1 114 ALA MB   1 116 ALA H    . . 4.780 4.583 4.405 4.740     .  0 0 "[    .    1    .    2]" 1 
       2299 1 114 ALA MB   1 117 SER H    . . 4.760 4.552 4.446 4.710     .  0 0 "[    .    1    .    2]" 1 
       2300 1 114 ALA MB   1 117 SER QB   . . 4.380 4.026 3.933 4.189     .  0 0 "[    .    1    .    2]" 1 
       2301 1 114 ALA MB   1 118 MET H    . . 5.430 4.634 4.468 4.833     .  0 0 "[    .    1    .    2]" 1 
       2302 1 114 ALA MB   1 118 MET ME   . . 5.100 4.966 4.756 5.102 0.002 15 0 "[    .    1    .    2]" 1 
       2303 1 115 LEU H    1 115 LEU HB2  . . 3.180 2.291 2.222 2.370     .  0 0 "[    .    1    .    2]" 1 
       2304 1 115 LEU H    1 115 LEU HB3  . . 3.160 2.770 2.659 2.877     .  0 0 "[    .    1    .    2]" 1 
       2305 1 115 LEU H    1 115 LEU MD1  . . 4.370 3.804 3.709 3.933     .  0 0 "[    .    1    .    2]" 1 
       2306 1 115 LEU H    1 115 LEU MD2  . . 4.180 4.115 4.049 4.177     .  0 0 "[    .    1    .    2]" 1 
       2307 1 115 LEU H    1 115 LEU HG   . . 4.660 4.613 4.572 4.648     .  0 0 "[    .    1    .    2]" 1 
       2308 1 115 LEU H    1 116 ALA H    . . 3.350 2.966 2.908 3.035     .  0 0 "[    .    1    .    2]" 1 
       2309 1 115 LEU H    1 116 ALA MB   . . 4.640 4.470 4.412 4.563     .  0 0 "[    .    1    .    2]" 1 
       2310 1 115 LEU H    1 117 SER H    . . 4.730 4.443 4.309 4.733 0.003 15 0 "[    .    1    .    2]" 1 
       2311 1 115 LEU H    1 118 MET HB2  . . 5.500 5.249 4.968 5.496     .  0 0 "[    .    1    .    2]" 1 
       2312 1 115 LEU HA   1 115 LEU MD1  . . 3.090 1.969 1.886 2.039     .  0 0 "[    .    1    .    2]" 1 
       2313 1 115 LEU HA   1 115 LEU MD2  . . 4.000 3.744 3.683 3.797     .  0 0 "[    .    1    .    2]" 1 
       2314 1 115 LEU HA   1 118 MET H    . . 4.010 3.211 3.081 3.504     .  0 0 "[    .    1    .    2]" 1 
       2315 1 115 LEU HA   1 118 MET HB2  . . 4.540 2.628 2.369 2.914     .  0 0 "[    .    1    .    2]" 1 
       2316 1 115 LEU HA   1 118 MET HB3  . . 4.450 4.033 3.868 4.246     .  0 0 "[    .    1    .    2]" 1 
       2317 1 115 LEU HA   1 118 MET HG2  . . 3.960 2.217 2.001 2.530     .  0 0 "[    .    1    .    2]" 1 
       2318 1 115 LEU HB2  1 115 LEU MD2  . . 3.360 2.190 2.091 2.296     .  0 0 "[    .    1    .    2]" 1 
       2319 1 115 LEU HB2  1 116 ALA H    . . 3.890 3.647 3.535 3.778     .  0 0 "[    .    1    .    2]" 1 
       2320 1 115 LEU HB3  1 115 LEU MD1  . . 3.530 3.178 3.163 3.190     .  0 0 "[    .    1    .    2]" 1 
       2321 1 115 LEU HB3  1 115 LEU MD2  . . 3.390 2.440 2.378 2.529     .  0 0 "[    .    1    .    2]" 1 
       2322 1 115 LEU HB3  1 116 ALA H    . . 3.730 2.370 2.235 2.560     .  0 0 "[    .    1    .    2]" 1 
       2323 1 115 LEU HB3  1 117 SER H    . . 5.450 4.985 4.854 5.290     .  0 0 "[    .    1    .    2]" 1 
       2324 1 115 LEU MD1  1 118 MET HB3  . . 4.090 3.426 3.290 3.605     .  0 0 "[    .    1    .    2]" 1 
       2325 1 115 LEU MD1  1 119 ALA H    . . 4.380 3.996 3.667 4.251     .  0 0 "[    .    1    .    2]" 1 
       2326 1 115 LEU MD1  1 119 ALA MB   . . 4.210 3.716 3.379 4.042     .  0 0 "[    .    1    .    2]" 1 
       2327 1 115 LEU MD2  1 116 ALA H    . . 4.570 4.439 4.219 4.565     .  0 0 "[    .    1    .    2]" 1 
       2328 1 115 LEU HG   1 116 ALA H    . . 4.180 3.915 3.598 4.033     .  0 0 "[    .    1    .    2]" 1 
       2329 1 115 LEU HG   1 116 ALA HA   . . 4.520 4.065 3.773 4.223     .  0 0 "[    .    1    .    2]" 1 
       2330 1 115 LEU HG   1 116 ALA MB   . . 5.500 4.909 4.617 5.046     .  0 0 "[    .    1    .    2]" 1 
       2331 1 115 LEU HG   1 119 ALA H    . . 4.920 4.731 4.506 4.923 0.003 15 0 "[    .    1    .    2]" 1 
       2332 1 116 ALA H    1 116 ALA MB   . . 2.880 2.141 2.034 2.238     .  0 0 "[    .    1    .    2]" 1 
       2333 1 116 ALA H    1 117 SER H    . . 3.330 2.929 2.858 3.008     .  0 0 "[    .    1    .    2]" 1 
       2334 1 116 ALA H    1 118 MET H    . . 4.780 4.078 3.982 4.161     .  0 0 "[    .    1    .    2]" 1 
       2335 1 116 ALA H    1 119 ALA MB   . . 5.090 4.865 4.729 5.013     .  0 0 "[    .    1    .    2]" 1 
       2336 1 116 ALA H    1 126 VAL MG1  . . 5.160 4.419 4.155 4.785     .  0 0 "[    .    1    .    2]" 1 
       2337 1 116 ALA HA   1 118 MET H    . . 5.380 4.240 4.052 4.411     .  0 0 "[    .    1    .    2]" 1 
       2338 1 116 ALA HA   1 119 ALA H    . . 3.850 3.566 3.358 3.691     .  0 0 "[    .    1    .    2]" 1 
       2339 1 116 ALA HA   1 119 ALA MB   . . 3.400 3.014 2.897 3.102     .  0 0 "[    .    1    .    2]" 1 
       2340 1 116 ALA HA   1 126 VAL MG1  . . 3.740 2.584 2.233 2.979     .  0 0 "[    .    1    .    2]" 1 
       2341 1 116 ALA HA   1 126 VAL MG2  . . 4.100 2.765 2.302 3.160     .  0 0 "[    .    1    .    2]" 1 
       2342 1 116 ALA MB   1 117 SER H    . . 3.140 2.553 2.359 2.692     .  0 0 "[    .    1    .    2]" 1 
       2343 1 116 ALA MB   1 117 SER QB   . . 4.310 3.805 3.656 4.127     .  0 0 "[    .    1    .    2]" 1 
       2344 1 116 ALA MB   1 118 MET H    . . 4.760 4.344 4.243 4.470     .  0 0 "[    .    1    .    2]" 1 
       2345 1 116 ALA MB   1 119 ALA H    . . 4.700 4.565 4.438 4.645     .  0 0 "[    .    1    .    2]" 1 
       2346 1 116 ALA MB   1 119 ALA MB   . . 4.300 4.242 4.147 4.303 0.003 17 0 "[    .    1    .    2]" 1 
       2347 1 116 ALA MB   1 120 LYS H    . . 5.500 4.786 4.297 5.110     .  0 0 "[    .    1    .    2]" 1 
       2348 1 116 ALA MB   1 120 LYS QB   . . 5.340 4.664 3.945 4.978     .  0 0 "[    .    1    .    2]" 1 
       2349 1 116 ALA MB   1 120 LYS HE2  . . 4.770 4.104 2.772 4.770     .  0 0 "[    .    1    .    2]" 1 
       2350 1 116 ALA MB   1 120 LYS QE   . . 4.150 3.146 2.549 3.991     .  0 0 "[    .    1    .    2]" 1 
       2351 1 116 ALA MB   1 120 LYS HE3  . . 4.770 3.401 2.691 4.702     .  0 0 "[    .    1    .    2]" 1 
       2352 1 116 ALA MB   1 126 VAL HB   . . 3.940 3.768 3.327 3.937     .  0 0 "[    .    1    .    2]" 1 
       2353 1 116 ALA MB   1 126 VAL MG1  . . 3.190 1.864 1.737 2.179     .  0 0 "[    .    1    .    2]" 1 
       2354 1 116 ALA MB   1 126 VAL MG2  . . 3.950 3.191 2.765 3.464     .  0 0 "[    .    1    .    2]" 1 
       2355 1 116 ALA MB   1 128 VAL HB   . . 3.190 2.289 2.127 2.552     .  0 0 "[    .    1    .    2]" 1 
       2356 1 116 ALA MB   1 128 VAL MG1  . . 3.050 2.557 2.327 2.904     .  0 0 "[    .    1    .    2]" 1 
       2357 1 116 ALA MB   1 128 VAL MG2  . . 3.520 2.498 2.116 3.044     .  0 0 "[    .    1    .    2]" 1 
       2358 1 116 ALA MB   1 130 VAL HB   . . 4.570 3.798 2.836 4.561     .  0 0 "[    .    1    .    2]" 1 
       2359 1 117 SER H    1 117 SER QB   . . 2.660 2.233 2.160 2.277     .  0 0 "[    .    1    .    2]" 1 
       2360 1 117 SER H    1 119 ALA H    . . 4.650 4.065 3.910 4.264     .  0 0 "[    .    1    .    2]" 1 
       2361 1 117 SER H    1 130 VAL MG1  . . 4.540 3.435 2.353 4.221     .  0 0 "[    .    1    .    2]" 1 
       2362 1 117 SER H    1 130 VAL QG   . . 3.820 2.979 2.341 3.771     .  0 0 "[    .    1    .    2]" 1 
       2363 1 117 SER H    1 130 VAL MG2  . . 4.540 3.519 2.425 4.524     .  0 0 "[    .    1    .    2]" 1 
       2364 1 117 SER HA   1 120 LYS H    . . 3.710 3.208 3.088 3.350     .  0 0 "[    .    1    .    2]" 1 
       2365 1 117 SER HA   1 120 LYS HB2  . . 4.140 2.535 2.152 4.157 0.017  6 0 "[    .    1    .    2]" 1 
       2366 1 117 SER HA   1 120 LYS HB3  . . 4.140 3.796 2.847 4.112     .  0 0 "[    .    1    .    2]" 1 
       2367 1 117 SER HA   1 120 LYS QD   . . 4.240 3.048 2.179 4.200     .  0 0 "[    .    1    .    2]" 1 
       2368 1 117 SER HA   1 120 LYS QE   . . 4.250 3.365 1.987 4.229     .  0 0 "[    .    1    .    2]" 1 
       2369 1 117 SER HA   1 120 LYS QG   . . 4.470 2.925 1.986 3.666     .  0 0 "[    .    1    .    2]" 1 
       2370 1 117 SER HA   1 130 VAL QG   . . 3.800 3.234 2.523 3.571     .  0 0 "[    .    1    .    2]" 1 
       2371 1 117 SER QB   1 118 MET H    . . 3.060 2.810 2.695 2.922     .  0 0 "[    .    1    .    2]" 1 
       2372 1 117 SER QB   1 118 MET ME   . . 5.320 4.553 4.243 4.951     .  0 0 "[    .    1    .    2]" 1 
       2373 1 117 SER QB   1 130 VAL HB   . . 4.970 3.880 2.438 4.972 0.002 17 0 "[    .    1    .    2]" 1 
       2374 1 117 SER QB   1 130 VAL QG   . . 3.590 2.305 1.905 2.951     .  0 0 "[    .    1    .    2]" 1 
       2375 1 117 SER HB2  1 130 VAL MG1  . . 5.930 2.554 1.946 3.890     .  0 0 "[    .    1    .    2]" 1 
       2376 1 117 SER HB2  1 130 VAL MG2  . . 5.930 3.033 2.450 4.389     .  0 0 "[    .    1    .    2]" 1 
       2377 1 117 SER HB3  1 130 VAL MG1  . . 5.930 3.854 3.249 4.559     .  0 0 "[    .    1    .    2]" 1 
       2378 1 117 SER HB3  1 130 VAL MG2  . . 5.930 4.216 3.382 5.805     .  0 0 "[    .    1    .    2]" 1 
       2379 1 118 MET H    1 118 MET HB2  . . 3.230 2.591 2.483 2.692     .  0 0 "[    .    1    .    2]" 1 
       2380 1 118 MET H    1 118 MET HB3  . . 3.710 3.597 3.583 3.611     .  0 0 "[    .    1    .    2]" 1 
       2381 1 118 MET H    1 118 MET ME   . . 4.240 4.056 3.857 4.202     .  0 0 "[    .    1    .    2]" 1 
       2382 1 118 MET H    1 118 MET HG2  . . 3.060 2.206 2.095 2.373     .  0 0 "[    .    1    .    2]" 1 
       2383 1 118 MET H    1 118 MET HG3  . . 3.980 3.694 3.601 3.817     .  0 0 "[    .    1    .    2]" 1 
       2384 1 118 MET H    1 119 ALA H    . . 3.140 2.532 2.428 2.630     .  0 0 "[    .    1    .    2]" 1 
       2385 1 118 MET H    1 119 ALA MB   . . 4.320 4.164 4.065 4.272     .  0 0 "[    .    1    .    2]" 1 
       2386 1 118 MET HA   1 118 MET ME   . . 3.500 2.113 1.962 2.422     .  0 0 "[    .    1    .    2]" 1 
       2387 1 118 MET HA   1 121 THR H    . . 4.300 4.093 3.864 4.302 0.002 15 0 "[    .    1    .    2]" 1 
       2388 1 118 MET HA   1 121 THR MG   . . 3.820 2.625 2.315 2.882     .  0 0 "[    .    1    .    2]" 1 
       2389 1 118 MET HB2  1 119 ALA H    . . 4.410 2.930 2.694 3.169     .  0 0 "[    .    1    .    2]" 1 
       2390 1 118 MET HB3  1 119 ALA H    . . 4.130 3.996 3.800 4.117     .  0 0 "[    .    1    .    2]" 1 
       2391 1 118 MET HB3  1 121 THR MG   . . 5.220 4.143 3.907 4.305     .  0 0 "[    .    1    .    2]" 1 
       2392 1 118 MET ME   1 121 THR MG   . . 3.480 3.062 2.788 3.325     .  0 0 "[    .    1    .    2]" 1 
       2393 1 118 MET ME   1 122 LYS HD3  . . 4.630 4.428 4.079 4.634 0.004 15 0 "[    .    1    .    2]" 1 
       2394 1 118 MET ME   1 122 LYS HE2  . . 4.810 3.559 3.066 4.436     .  0 0 "[    .    1    .    2]" 1 
       2395 1 118 MET ME   1 122 LYS QE   . . 4.040 3.397 2.960 4.007     .  0 0 "[    .    1    .    2]" 1 
       2396 1 118 MET ME   1 122 LYS HE3  . . 4.810 4.362 3.903 4.804     .  0 0 "[    .    1    .    2]" 1 
       2397 1 118 MET HG3  1 119 ALA H    . . 5.430 5.202 5.057 5.401     .  0 0 "[    .    1    .    2]" 1 
       2398 1 119 ALA H    1 119 ALA MB   . . 2.950 2.138 2.088 2.196     .  0 0 "[    .    1    .    2]" 1 
       2399 1 119 ALA H    1 120 LYS H    . . 3.320 2.258 2.143 2.398     .  0 0 "[    .    1    .    2]" 1 
       2400 1 119 ALA H    1 120 LYS QB   . . 5.080 4.112 3.966 4.429     .  0 0 "[    .    1    .    2]" 1 
       2401 1 119 ALA H    1 120 LYS QG   . . 5.070 4.236 3.724 4.468     .  0 0 "[    .    1    .    2]" 1 
       2402 1 119 ALA H    1 121 THR H    . . 4.720 4.307 3.985 4.592     .  0 0 "[    .    1    .    2]" 1 
       2403 1 119 ALA H    1 122 LYS H    . . 5.140 5.017 4.796 5.128     .  0 0 "[    .    1    .    2]" 1 
       2404 1 119 ALA H    1 126 VAL MG2  . . 4.810 3.845 3.537 4.211     .  0 0 "[    .    1    .    2]" 1 
       2405 1 119 ALA HA   1 124 ASN HB2  . . 4.140 3.704 3.354 3.971     .  0 0 "[    .    1    .    2]" 1 
       2406 1 119 ALA MB   1 120 LYS H    . . 3.260 2.979 2.658 3.183     .  0 0 "[    .    1    .    2]" 1 
       2407 1 119 ALA MB   1 120 LYS HA   . . 4.760 3.821 3.689 3.923     .  0 0 "[    .    1    .    2]" 1 
       2408 1 119 ALA MB   1 122 LYS HB2  . . 4.270 4.017 3.595 4.247     .  0 0 "[    .    1    .    2]" 1 
       2409 1 119 ALA MB   1 124 ASN H    . . 4.380 3.928 3.209 4.244     .  0 0 "[    .    1    .    2]" 1 
       2410 1 119 ALA MB   1 124 ASN HB2  . . 3.690 2.126 1.924 2.335     .  0 0 "[    .    1    .    2]" 1 
       2411 1 119 ALA MB   1 124 ASN HB3  . . 4.020 3.093 2.797 3.298     .  0 0 "[    .    1    .    2]" 1 
       2412 1 119 ALA MB   1 124 ASN HD21 . . 3.690 2.759 2.108 3.531     .  0 0 "[    .    1    .    2]" 1 
       2413 1 119 ALA MB   1 124 ASN HD22 . . 4.190 3.689 3.178 4.150     .  0 0 "[    .    1    .    2]" 1 
       2414 1 119 ALA MB   1 126 VAL MG1  . . 4.110 3.910 3.549 4.109     .  0 0 "[    .    1    .    2]" 1 
       2415 1 119 ALA MB   1 126 VAL MG2  . . 3.140 2.370 2.112 2.595     .  0 0 "[    .    1    .    2]" 1 
       2416 1 120 LYS H    1 120 LYS HB2  . . 3.690 2.378 2.185 3.527     .  0 0 "[    .    1    .    2]" 1 
       2417 1 120 LYS H    1 120 LYS QB   . . 2.880 2.224 2.164 2.619     .  0 0 "[    .    1    .    2]" 1 
       2418 1 120 LYS H    1 120 LYS HB3  . . 3.690 3.390 2.241 3.605     .  0 0 "[    .    1    .    2]" 1 
       2419 1 120 LYS H    1 120 LYS QG   . . 3.120 2.740 1.914 2.951     .  0 0 "[    .    1    .    2]" 1 
       2420 1 120 LYS H    1 121 THR H    . . 3.210 2.705 2.485 3.013     .  0 0 "[    .    1    .    2]" 1 
       2421 1 120 LYS H    1 121 THR MG   . . 4.760 3.608 3.383 3.886     .  0 0 "[    .    1    .    2]" 1 
       2422 1 120 LYS H    1 122 LYS H    . . 4.340 4.025 3.782 4.338     .  0 0 "[    .    1    .    2]" 1 
       2423 1 120 LYS H    1 122 LYS HB2  . . 5.230 4.892 4.634 5.136     .  0 0 "[    .    1    .    2]" 1 
       2424 1 120 LYS H    1 124 ASN H    . . 4.820 4.724 4.522 4.811     .  0 0 "[    .    1    .    2]" 1 
       2425 1 120 LYS H    1 126 VAL MG1  . . 4.940 4.695 3.862 4.941 0.001 16 0 "[    .    1    .    2]" 1 
       2426 1 120 LYS H    1 126 VAL MG2  . . 3.830 3.193 2.504 3.536     .  0 0 "[    .    1    .    2]" 1 
       2427 1 120 LYS HA   1 120 LYS HG2  . . 4.020 2.502 2.187 3.866     .  0 0 "[    .    1    .    2]" 1 
       2428 1 120 LYS HA   1 120 LYS HG3  . . 4.020 3.069 2.638 3.809     .  0 0 "[    .    1    .    2]" 1 
       2429 1 120 LYS HA   1 123 GLY H    . . 4.080 3.464 3.220 3.706     .  0 0 "[    .    1    .    2]" 1 
       2430 1 120 LYS HA   1 124 ASN H    . . 3.560 2.739 2.338 3.334     .  0 0 "[    .    1    .    2]" 1 
       2431 1 120 LYS HA   1 126 VAL MG2  . . 3.850 2.889 2.049 3.254     .  0 0 "[    .    1    .    2]" 1 
       2432 1 120 LYS QB   1 120 LYS QD   . . 3.110 2.159 2.038 2.504     .  0 0 "[    .    1    .    2]" 1 
       2433 1 120 LYS QB   1 120 LYS QE   . . 4.300 3.145 1.862 3.657     .  0 0 "[    .    1    .    2]" 1 
       2434 1 120 LYS QB   1 121 THR H    . . 3.300 2.529 2.286 3.301 0.001  6 0 "[    .    1    .    2]" 1 
       2435 1 120 LYS QB   1 122 LYS H    . . 5.020 4.562 4.197 4.957     .  0 0 "[    .    1    .    2]" 1 
       2436 1 120 LYS QB   1 126 VAL HB   . . 4.720 4.086 2.250 4.722 0.002 15 0 "[    .    1    .    2]" 1 
       2437 1 120 LYS QB   1 126 VAL MG1  . . 5.150 4.477 2.971 4.978     .  0 0 "[    .    1    .    2]" 1 
       2438 1 120 LYS QB   1 126 VAL MG2  . . 3.980 3.572 1.916 3.981 0.001 15 0 "[    .    1    .    2]" 1 
       2439 1 120 LYS QD   1 130 VAL QG   . . 4.020 3.372 2.421 4.017     .  0 0 "[    .    1    .    2]" 1 
       2440 1 120 LYS QE   1 120 LYS QG   . . 3.180 2.180 2.049 2.504     .  0 0 "[    .    1    .    2]" 1 
       2441 1 120 LYS QE   1 126 VAL HB   . . 3.860 2.405 1.892 3.665     .  0 0 "[    .    1    .    2]" 1 
       2442 1 120 LYS QE   1 126 VAL MG2  . . 4.670 3.480 3.027 4.338     .  0 0 "[    .    1    .    2]" 1 
       2443 1 120 LYS QE   1 128 VAL H    . . 5.130 3.557 2.159 5.010     .  0 0 "[    .    1    .    2]" 1 
       2444 1 120 LYS QE   1 130 VAL QG   . . 4.330 2.749 2.051 3.992     .  0 0 "[    .    1    .    2]" 1 
       2445 1 120 LYS HE2  1 126 VAL MG1  . . 4.200 3.024 2.008 4.201 0.001 18 0 "[    .    1    .    2]" 1 
       2446 1 120 LYS HE3  1 126 VAL MG1  . . 4.200 3.004 1.991 4.115     .  0 0 "[    .    1    .    2]" 1 
       2447 1 120 LYS QG   1 126 VAL MG1  . . 4.590 3.133 2.721 4.586     .  0 0 "[    .    1    .    2]" 1 
       2448 1 120 LYS QG   1 126 VAL MG2  . . 3.790 2.345 1.923 3.689     .  0 0 "[    .    1    .    2]" 1 
       2449 1 120 LYS HG2  1 126 VAL MG2  . . 4.320 2.835 1.981 4.007     .  0 0 "[    .    1    .    2]" 1 
       2450 1 120 LYS HG3  1 126 VAL MG2  . . 4.320 2.641 1.972 4.324 0.004 17 0 "[    .    1    .    2]" 1 
       2451 1 121 THR H    1 121 THR HB   . . 3.120 2.625 2.464 2.862     .  0 0 "[    .    1    .    2]" 1 
       2452 1 121 THR H    1 121 THR MG   . . 3.220 2.012 1.867 2.313     .  0 0 "[    .    1    .    2]" 1 
       2453 1 121 THR H    1 122 LYS H    . . 3.210 2.762 2.624 2.951     .  0 0 "[    .    1    .    2]" 1 
       2454 1 121 THR H    1 122 LYS HB2  . . 5.020 4.669 4.541 4.815     .  0 0 "[    .    1    .    2]" 1 
       2455 1 121 THR H    1 123 GLY H    . . 4.550 4.334 3.953 4.533     .  0 0 "[    .    1    .    2]" 1 
       2456 1 121 THR HA   1 121 THR MG   . . 3.290 3.191 3.167 3.205     .  0 0 "[    .    1    .    2]" 1 
       2457 1 121 THR HA   1 123 GLY H    . . 4.770 4.533 4.006 4.771 0.001 14 0 "[    .    1    .    2]" 1 
       2458 1 121 THR HB   1 122 LYS H    . . 4.160 4.002 3.794 4.159     .  0 0 "[    .    1    .    2]" 1 
       2459 1 121 THR MG   1 122 LYS H    . . 3.270 2.014 1.820 2.333     .  0 0 "[    .    1    .    2]" 1 
       2460 1 121 THR MG   1 122 LYS HB2  . . 5.400 3.470 3.362 3.633     .  0 0 "[    .    1    .    2]" 1 
       2461 1 121 THR MG   1 123 GLY H    . . 4.560 4.271 4.056 4.467     .  0 0 "[    .    1    .    2]" 1 
       2462 1 122 LYS H    1 122 LYS HB2  . . 3.370 2.194 2.175 2.231     .  0 0 "[    .    1    .    2]" 1 
       2463 1 122 LYS H    1 122 LYS HB3  . . 3.700 3.496 3.483 3.521     .  0 0 "[    .    1    .    2]" 1 
       2464 1 122 LYS H    1 122 LYS HD2  . . 4.610 3.041 2.729 3.270     .  0 0 "[    .    1    .    2]" 1 
       2465 1 122 LYS H    1 122 LYS HG2  . . 4.470 3.976 3.817 4.212     .  0 0 "[    .    1    .    2]" 1 
       2466 1 122 LYS H    1 122 LYS QG   . . 3.920 3.561 3.477 3.719     .  0 0 "[    .    1    .    2]" 1 
       2467 1 122 LYS H    1 122 LYS HG3  . . 4.470 4.030 3.723 4.179     .  0 0 "[    .    1    .    2]" 1 
       2468 1 122 LYS H    1 123 GLY H    . . 3.480 2.648 2.406 2.901     .  0 0 "[    .    1    .    2]" 1 
       2469 1 122 LYS H    1 123 GLY QA   . . 4.950 4.497 4.283 4.664     .  0 0 "[    .    1    .    2]" 1 
       2470 1 122 LYS HA   1 122 LYS HD2  . . 4.200 2.476 2.250 3.113     .  0 0 "[    .    1    .    2]" 1 
       2471 1 122 LYS HA   1 122 LYS HD3  . . 4.620 3.248 3.016 3.921     .  0 0 "[    .    1    .    2]" 1 
       2472 1 122 LYS HA   1 122 LYS HG2  . . 3.950 3.625 3.496 3.651     .  0 0 "[    .    1    .    2]" 1 
       2473 1 122 LYS HA   1 122 LYS QG   . . 3.420 2.434 2.163 2.543     .  0 0 "[    .    1    .    2]" 1 
       2474 1 122 LYS HA   1 122 LYS HG3  . . 3.950 2.474 2.184 2.597     .  0 0 "[    .    1    .    2]" 1 
       2475 1 122 LYS HB2  1 122 LYS HD2  . . 3.800 3.367 3.000 3.478     .  0 0 "[    .    1    .    2]" 1 
       2476 1 122 LYS HB2  1 122 LYS HD3  . . 3.860 2.428 2.177 2.550     .  0 0 "[    .    1    .    2]" 1 
       2477 1 122 LYS HB2  1 122 LYS QE   . . 3.790 3.747 3.656 3.800 0.010 16 0 "[    .    1    .    2]" 1 
       2478 1 122 LYS HB2  1 123 GLY H    . . 4.630 2.762 2.659 3.120     .  0 0 "[    .    1    .    2]" 1 
       2479 1 122 LYS HB2  1 124 ASN HD22 . . 4.420 3.375 2.703 3.690     .  0 0 "[    .    1    .    2]" 1 
       2480 1 122 LYS HB3  1 122 LYS HD3  . . 4.190 3.608 3.463 3.641     .  0 0 "[    .    1    .    2]" 1 
       2481 1 122 LYS HB3  1 123 GLY H    . . 4.510 3.232 3.091 3.585     .  0 0 "[    .    1    .    2]" 1 
       2482 1 122 LYS HB3  1 124 ASN H    . . 4.800 4.633 4.384 4.800 0.000 17 0 "[    .    1    .    2]" 1 
       2483 1 122 LYS HB3  1 124 ASN HD21 . . 4.300 3.239 2.686 3.836     .  0 0 "[    .    1    .    2]" 1 
       2484 1 122 LYS QE   1 122 LYS QG   . . 3.080 2.182 2.041 2.452     .  0 0 "[    .    1    .    2]" 1 
       2485 1 122 LYS QG   1 124 ASN HD21 . . 4.910 4.166 3.859 4.443     .  0 0 "[    .    1    .    2]" 1 
       2486 1 123 GLY H    1 124 ASN H    . . 3.310 2.054 1.848 2.303     .  0 0 "[    .    1    .    2]" 1 
       2487 1 123 GLY H    1 124 ASN HB2  . . 4.870 3.900 3.701 4.084     .  0 0 "[    .    1    .    2]" 1 
       2488 1 124 ASN H    1 124 ASN HB2  . . 3.230 2.531 2.360 2.677     .  0 0 "[    .    1    .    2]" 1 
       2489 1 124 ASN H    1 124 ASN HB3  . . 4.000 3.709 3.591 3.798     .  0 0 "[    .    1    .    2]" 1 
       2490 1 124 ASN H    1 124 ASN HD21 . . 3.510 3.053 2.398 3.503     .  0 0 "[    .    1    .    2]" 1 
       2491 1 124 ASN H    1 126 VAL MG2  . . 4.500 3.960 3.447 4.372     .  0 0 "[    .    1    .    2]" 1 
       2492 1 124 ASN HB2  1 125 LYS H    . . 4.930 4.089 3.354 4.480     .  0 0 "[    .    1    .    2]" 1 
       2493 1 124 ASN HB2  1 126 VAL MG2  . . 4.050 2.989 2.437 3.357     .  0 0 "[    .    1    .    2]" 1 
       2494 1 124 ASN HB3  1 125 LYS H    . . 4.540 3.179 2.145 4.050     .  0 0 "[    .    1    .    2]" 1 
       2495 1 124 ASN HB3  1 126 VAL MG2  . . 3.680 3.227 2.390 3.663     .  0 0 "[    .    1    .    2]" 1 
       2496 1 125 LYS H    1 125 LYS QB   . . 3.820 2.397 2.124 3.062     .  0 0 "[    .    1    .    2]" 1 
       2497 1 125 LYS H    1 125 LYS QG   . . 4.730 3.170 1.847 4.111     .  0 0 "[    .    1    .    2]" 1 
       2498 1 125 LYS HA   1 126 VAL H    . . 2.940 2.229 2.141 2.861     .  0 0 "[    .    1    .    2]" 1 
       2499 1 125 LYS QB   1 126 VAL H    . . 3.970 3.767 3.092 3.992 0.022  9 0 "[    .    1    .    2]" 1 
       2500 1 125 LYS QG   1 126 VAL H    . . 4.780 3.914 3.060 4.689     .  0 0 "[    .    1    .    2]" 1 
       2501 1 126 VAL H    1 126 VAL HB   . . 3.590 2.636 2.476 2.884     .  0 0 "[    .    1    .    2]" 1 
       2502 1 126 VAL H    1 126 VAL MG1  . . 4.220 3.837 3.775 3.931     .  0 0 "[    .    1    .    2]" 1 
       2503 1 126 VAL H    1 126 VAL MG2  . . 3.760 2.694 2.080 3.072     .  0 0 "[    .    1    .    2]" 1 
       2504 1 126 VAL HA   1 126 VAL MG1  . . 3.470 2.344 2.101 2.476     .  0 0 "[    .    1    .    2]" 1 
       2505 1 126 VAL HA   1 126 VAL MG2  . . 3.360 2.359 2.213 2.515     .  0 0 "[    .    1    .    2]" 1 
       2506 1 126 VAL HA   1 128 VAL H    . . 4.680 4.090 3.477 4.669     .  0 0 "[    .    1    .    2]" 1 
       2507 1 126 VAL HB   1 128 VAL H    . . 4.600 3.664 2.702 4.571     .  0 0 "[    .    1    .    2]" 1 
       2508 1 126 VAL HB   1 128 VAL MG2  . . 5.260 4.507 3.718 5.017     .  0 0 "[    .    1    .    2]" 1 
       2509 1 126 VAL MG1  1 127 ASN H    . . 4.910 2.741 2.122 3.373     .  0 0 "[    .    1    .    2]" 1 
       2510 1 126 VAL MG1  1 128 VAL H    . . 3.260 2.106 1.879 2.528     .  0 0 "[    .    1    .    2]" 1 
       2511 1 126 VAL MG1  1 128 VAL HB   . . 3.310 2.072 1.932 2.263     .  0 0 "[    .    1    .    2]" 1 
       2512 1 126 VAL MG1  1 128 VAL MG1  . . 3.970 3.413 3.306 3.565     .  0 0 "[    .    1    .    2]" 1 
       2513 1 126 VAL MG1  1 128 VAL MG2  . . 3.190 2.116 1.840 2.525     .  0 0 "[    .    1    .    2]" 1 
       2514 1 126 VAL MG2  1 128 VAL H    . . 5.150 4.521 4.276 4.733     .  0 0 "[    .    1    .    2]" 1 
       2515 1 126 VAL MG2  1 128 VAL HB   . . 4.710 4.550 4.406 4.690     .  0 0 "[    .    1    .    2]" 1 
       2516 1 127 ASN HB2  1 128 VAL H    . . 4.520 4.116 2.510 4.519     .  0 0 "[    .    1    .    2]" 1 
       2517 1 127 ASN HB3  1 128 VAL H    . . 4.520 4.113 2.463 4.533 0.013 17 0 "[    .    1    .    2]" 1 
       2518 1 128 VAL H    1 128 VAL HB   . . 3.240 2.574 2.369 2.704     .  0 0 "[    .    1    .    2]" 1 
       2519 1 128 VAL H    1 128 VAL MG1  . . 3.820 3.794 3.719 3.852 0.032 13 0 "[    .    1    .    2]" 1 
       2520 1 128 VAL H    1 128 VAL MG2  . . 3.270 2.664 1.991 3.016     .  0 0 "[    .    1    .    2]" 1 
       2521 1 128 VAL H    1 129 GLY H    . . 4.430 4.384 4.225 4.505 0.075 17 0 "[    .    1    .    2]" 1 
       2522 1 128 VAL HA   1 128 VAL MG1  . . 3.270 2.444 2.352 2.497     .  0 0 "[    .    1    .    2]" 1 
       2523 1 128 VAL HA   1 128 VAL MG2  . . 3.330 2.306 2.200 2.424     .  0 0 "[    .    1    .    2]" 1 
       2524 1 128 VAL HA   1 129 GLY H    . . 2.850 2.158 2.144 2.199     .  0 0 "[    .    1    .    2]" 1 
       2525 1 128 VAL HB   1 129 GLY H    . . 4.620 4.265 4.113 4.433     .  0 0 "[    .    1    .    2]" 1 
       2526 1 128 VAL MG1  1 129 GLY H    . . 3.380 2.649 2.205 3.087     .  0 0 "[    .    1    .    2]" 1 
       2527 1 128 VAL MG1  1 129 GLY HA2  . . 4.970 4.012 3.820 4.242     .  0 0 "[    .    1    .    2]" 1 
       2528 1 128 VAL MG1  1 129 GLY QA   . . 4.130 3.543 3.363 3.743     .  0 0 "[    .    1    .    2]" 1 
       2529 1 128 VAL MG1  1 129 GLY HA3  . . 4.970 3.956 3.665 4.306     .  0 0 "[    .    1    .    2]" 1 
       2530 1 128 VAL MG1  1 130 VAL HA   . . 4.670 3.419 2.930 4.250     .  0 0 "[    .    1    .    2]" 1 
       2531 1 128 VAL MG2  1 129 GLY H    . . 4.230 3.997 3.832 4.171     .  0 0 "[    .    1    .    2]" 1 
       2532 1 129 GLY H    1 130 VAL H    . . 4.110 3.765 3.048 4.099     .  0 0 "[    .    1    .    2]" 1 
       2533 1 129 GLY QA   1 130 VAL H    . . 2.930 2.416 2.255 2.666     .  0 0 "[    .    1    .    2]" 1 
       2534 1 129 GLY QA   1 130 VAL QG   . . 5.030 3.655 3.318 3.895     .  0 0 "[    .    1    .    2]" 1 
       2535 1 130 VAL H    1 130 VAL HB   . . 3.670 2.767 2.502 3.635     .  0 0 "[    .    1    .    2]" 1 
       2536 1 130 VAL H    1 130 VAL MG1  . . 4.120 2.939 1.867 3.804     .  0 0 "[    .    1    .    2]" 1 
       2537 1 130 VAL H    1 130 VAL QG   . . 2.950 2.211 1.856 2.999 0.049  8 0 "[    .    1    .    2]" 1 
       2538 1 130 VAL H    1 130 VAL MG2  . . 4.120 2.949 1.942 3.944     .  0 0 "[    .    1    .    2]" 1 
       2539 1 130 VAL H    1 131 SER H    . . 4.730 4.244 2.893 4.637     .  0 0 "[    .    1    .    2]" 1 
       2540 1 130 VAL HA   1 130 VAL MG1  . . 3.690 2.739 2.283 3.204     .  0 0 "[    .    1    .    2]" 1 
       2541 1 130 VAL HA   1 130 VAL QG   . . 3.100 2.213 2.059 2.443     .  0 0 "[    .    1    .    2]" 1 
       2542 1 130 VAL HA   1 130 VAL MG2  . . 3.690 2.453 2.195 3.196     .  0 0 "[    .    1    .    2]" 1 
       2543 1 130 VAL HB   1 131 SER H    . . 4.480 4.060 2.853 4.572 0.092  8 0 "[    .    1    .    2]" 1 
       2544 1 130 VAL QG   1 131 SER H    . . 4.790 2.541 1.891 3.378     .  0 0 "[    .    1    .    2]" 1 
       2545 1 130 VAL QG   1 131 SER QB   . . 4.570 3.894 2.788 4.546     .  0 0 "[    .    1    .    2]" 1 
       2546 1 132 GLY QA   1 133 PRO QG   . . 4.470 3.683 3.644 3.719     .  0 0 "[    .    1    .    2]" 1 
       2547 1 132 GLY HA2  1 133 PRO QD   . . 3.300 2.206 1.860 2.642     .  0 0 "[    .    1    .    2]" 1 
       2548 1 132 GLY HA3  1 133 PRO QD   . . 3.300 2.492 1.961 3.360 0.060 11 0 "[    .    1    .    2]" 1 
    stop_

save_



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