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
442527 2kcu 16097 cing 4-filtered-FRED Wattos check violation distance


data_2kcu


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              1095
    _Distance_constraint_stats_list.Viol_count                    555
    _Distance_constraint_stats_list.Viol_total                    777.504
    _Distance_constraint_stats_list.Viol_max                      0.310
    _Distance_constraint_stats_list.Viol_rms                      0.0143
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0018
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0700
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       
;
Description of the tags in this list:
*  1 * Administrative tag
*  2 * Administrative tag
*  3 * Administrative tag
*  4 * ID of the restraint list.                                                              
*  5 * Number of restraints in list.                                                          
*  6 * Number of violated restraints (each model violation is used).                          
*  7 * Sum of violations in Angstrom.                                                         
*  8 * Maximum violation of a restraint without averaging in any way.                         
*  9 * Rms of violations over all restraints.                                                 
*  10 * Average violation over all restraints.                                                 
*  11 * Average violation over violated restraints.                                            
           This violation is averaged over only those models in which the restraint is violated.   
           These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).     
*  12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
*  13 * This tag                                                                               

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

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


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

       1   2 ASP 0.292 0.118  1 0 "[    .    1    .    2]" 
       1   3 PHE 0.308 0.118  1 0 "[    .    1    .    2]" 
       1   4 GLU 0.126 0.088 19 0 "[    .    1    .    2]" 
       1   5 CYS 0.110 0.088 19 0 "[    .    1    .    2]" 
       1   6 GLN 1.721 0.171 10 0 "[    .    1    .    2]" 
       1   7 PHE 1.656 0.171 10 0 "[    .    1    .    2]" 
       1   8 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1   9 CYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  10 GLU 0.226 0.044 11 0 "[    .    1    .    2]" 
       1  11 LEU 1.373 0.272 19 0 "[    .    1    .    2]" 
       1  12 LYS 0.544 0.096 18 0 "[    .    1    .    2]" 
       1  13 GLU 0.146 0.056 15 0 "[    .    1    .    2]" 
       1  14 LEU 0.146 0.056 15 0 "[    .    1    .    2]" 
       1  15 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  16 PRO 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  17 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  18 PRO 0.015 0.015 11 0 "[    .    1    .    2]" 
       1  19 ALA 0.015 0.015 11 0 "[    .    1    .    2]" 
       1  20 LEU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  21 LEU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  22 ILE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  23 ARG 0.029 0.019  2 0 "[    .    1    .    2]" 
       1  24 THR 0.469 0.128 20 0 "[    .    1    .    2]" 
       1  25 GLN 0.864 0.151  6 0 "[    .    1    .    2]" 
       1  26 THR 0.517 0.151  6 0 "[    .    1    .    2]" 
       1  27 ALA 0.198 0.100 18 0 "[    .    1    .    2]" 
       1  28 MET 0.994 0.263 11 0 "[    .    1    .    2]" 
       1  29 SER 0.889 0.263 11 0 "[    .    1    .    2]" 
       1  30 GLU 0.436 0.100 18 0 "[    .    1    .    2]" 
       1  31 LEU 0.512 0.081 15 0 "[    .    1    .    2]" 
       1  32 GLY 0.006 0.006  4 0 "[    .    1    .    2]" 
       1  33 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  34 LEU 0.036 0.020 10 0 "[    .    1    .    2]" 
       1  35 PHE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  36 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  37 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  38 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  39 TYR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  40 HIS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  41 ASP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  42 ILE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  44 GLN 0.260 0.103  9 0 "[    .    1    .    2]" 
       1  45 LEU 0.250 0.072  8 0 "[    .    1    .    2]" 
       1  46 LEU 0.913 0.174  1 0 "[    .    1    .    2]" 
       1  47 ALA 1.159 0.174  1 0 "[    .    1    .    2]" 
       1  48 GLY 0.063 0.063 17 0 "[    .    1    .    2]" 
       1  49 GLN 0.173 0.063 17 0 "[    .    1    .    2]" 
       1  50 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  51 LYS 2.150 0.129 20 0 "[    .    1    .    2]" 
       1  52 SER 0.747 0.082  3 0 "[    .    1    .    2]" 
       1  53 PRO 0.443 0.155  7 0 "[    .    1    .    2]" 
       1  54 SER 0.383 0.155  7 0 "[    .    1    .    2]" 
       1  55 GLY 0.072 0.033  8 0 "[    .    1    .    2]" 
       1  57 PRO 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  58 PHE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  59 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  60 ARG 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  61 TYR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  62 PHE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  64 MET 0.097 0.060 11 0 "[    .    1    .    2]" 
       1  67 GLY 0.179 0.104 11 0 "[    .    1    .    2]" 
       1  68 THR 0.647 0.119 12 0 "[    .    1    .    2]" 
       1  69 PHE 1.240 0.175 17 0 "[    .    1    .    2]" 
       1  70 GLU 0.885 0.175 17 0 "[    .    1    .    2]" 
       1  71 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  72 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  73 PHE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  75 PHE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  76 PRO 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  77 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  78 GLU 0.033 0.019 10 0 "[    .    1    .    2]" 
       1  79 GLY 0.033 0.019 10 0 "[    .    1    .    2]" 
       1  80 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  81 VAL 1.658 0.150 14 0 "[    .    1    .    2]" 
       1  82 GLU 1.861 0.150 14 0 "[    .    1    .    2]" 
       1  83 GLY 0.203 0.076 19 0 "[    .    1    .    2]" 
       1  84 SER 0.913 0.112 16 0 "[    .    1    .    2]" 
       1  85 GLY 0.080 0.080 13 0 "[    .    1    .    2]" 
       1  86 ARG 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  87 VAL 0.583 0.112 16 0 "[    .    1    .    2]" 
       1  88 VAL 0.030 0.030 17 0 "[    .    1    .    2]" 
       1  89 THR 2.193 0.262 16 0 "[    .    1    .    2]" 
       1  90 GLY 2.163 0.262 16 0 "[    .    1    .    2]" 
       1  91 LEU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  92 THR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  93 PRO 0.022 0.011 18 0 "[    .    1    .    2]" 
       1  94 SER 0.022 0.011 18 0 "[    .    1    .    2]" 
       1  95 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  96 LYS 1.299 0.310  7 0 "[    .    1    .    2]" 
       1  97 ALA 1.159 0.157 20 0 "[    .    1    .    2]" 
       1  98 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  99 SER 0.086 0.037  8 0 "[    .    1    .    2]" 
       1 100 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 101 LEU 0.271 0.054 16 0 "[    .    1    .    2]" 
       1 102 TYR 0.699 0.305 15 0 "[    .    1    .    2]" 
       1 103 ILE 0.404 0.124 18 0 "[    .    1    .    2]" 
       1 104 GLY 0.083 0.083  2 0 "[    .    1    .    2]" 
       1 106 TYR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 108 GLU 0.160 0.109 10 0 "[    .    1    .    2]" 
       1 109 ILE 0.160 0.109 10 0 "[    .    1    .    2]" 
       1 110 GLU 0.013 0.009  4 0 "[    .    1    .    2]" 
       1 111 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 112 VAL 0.211 0.211  2 0 "[    .    1    .    2]" 
       1 113 TYR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 114 ASP 0.041 0.037 10 0 "[    .    1    .    2]" 
       1 115 ALA 0.041 0.037 10 0 "[    .    1    .    2]" 
       1 116 LEU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 117 MET 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 118 LYS 0.480 0.152  6 0 "[    .    1    .    2]" 
       1 119 TRP 0.837 0.170  1 0 "[    .    1    .    2]" 
       1 120 VAL 3.247 0.238  1 0 "[    .    1    .    2]" 
       1 121 ASP 2.755 0.238  1 0 "[    .    1    .    2]" 
       1 122 ASP 0.089 0.089  7 0 "[    .    1    .    2]" 
       1 123 ASN 1.377 0.170  1 0 "[    .    1    .    2]" 
       1 124 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 125 PHE 3.094 0.219 13 0 "[    .    1    .    2]" 
       1 126 ASP 0.671 0.135 12 0 "[    .    1    .    2]" 
       1 127 LEU 0.905 0.126  5 0 "[    .    1    .    2]" 
       1 128 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 129 GLY 1.193 0.136 17 0 "[    .    1    .    2]" 
       1 130 GLU 0.306 0.136 17 0 "[    .    1    .    2]" 
       1 131 ALA 0.989 0.161 20 0 "[    .    1    .    2]" 
       1 132 TYR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 133 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 134 ILE 0.307 0.082  9 0 "[    .    1    .    2]" 
       1 135 TYR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 136 LEU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 137 ASP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 138 ASN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 139 PRO 0.159 0.065 11 0 "[    .    1    .    2]" 
       1 140 ALA 1.946 0.293  9 0 "[    .    1    .    2]" 
       1 141 GLU 1.982 0.293  9 0 "[    .    1    .    2]" 
       1 142 THR 1.134 0.178 13 0 "[    .    1    .    2]" 
       1 143 ALA 0.227 0.068  8 0 "[    .    1    .    2]" 
       1 144 PRO 2.067 0.226 15 0 "[    .    1    .    2]" 
       1 145 ASP 2.300 0.226 15 0 "[    .    1    .    2]" 
       1 146 GLN 0.249 0.117 17 0 "[    .    1    .    2]" 
       1 147 LEU 0.098 0.083  2 0 "[    .    1    .    2]" 
       1 148 ARG 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 149 THR 1.058 0.305 15 0 "[    .    1    .    2]" 
       1 150 ARG 0.074 0.027  2 0 "[    .    1    .    2]" 
       1 151 VAL 0.022 0.022 15 0 "[    .    1    .    2]" 
       1 152 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 153 LEU 0.989 0.161 20 0 "[    .    1    .    2]" 
       1 154 MET 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 155 LEU 0.773 0.167  5 0 "[    .    1    .    2]" 
       1 156 HIS 0.767 0.193  3 0 "[    .    1    .    2]" 
       1 157 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 158 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 159 LEU 0.450 0.181 10 0 "[    .    1    .    2]" 
       1 160 GLU 1.784 0.181 10 0 "[    .    1    .    2]" 
       1 161 HIS 0.105 0.057 17 0 "[    .    1    .    2]" 
    stop_

    loop_
       _Distance_constraint_stats.Restraint_ID
       _Distance_constraint_stats.Atom_1_entity_assembly_ID
       _Distance_constraint_stats.Atom_1_comp_index_ID
       _Distance_constraint_stats.Atom_1_comp_ID
       _Distance_constraint_stats.Atom_1_ID
       _Distance_constraint_stats.Atom_2_entity_assembly_ID
       _Distance_constraint_stats.Atom_2_comp_index_ID
       _Distance_constraint_stats.Atom_2_comp_ID
       _Distance_constraint_stats.Atom_2_ID
       _Distance_constraint_stats.Node_1_distance_val
       _Distance_constraint_stats.Node_1_distance_lower_bound_val
       _Distance_constraint_stats.Node_1_distance_upper_bound_val
       _Distance_constraint_stats.Distance_average
       _Distance_constraint_stats.Distance_minimum
       _Distance_constraint_stats.Distance_maximum
       _Distance_constraint_stats.Max_violation
       _Distance_constraint_stats.Max_violation_model_number
       _Distance_constraint_stats.Over_cutoff_violation_count
       _Distance_constraint_stats.Over_cutoff_viol_per_model
       _Distance_constraint_stats.Distance_constraint_stats_ID

          1 1   2 ASP HB3  1   3 PHE H     5.500 .  5.500 2.987 1.990 4.369     .  0 0 "[    .    1    .    2]" 1 
          2 1   3 PHE HA   1   4 GLU H     3.520 .  3.520 2.597 2.087 3.531 0.011  4 0 "[    .    1    .    2]" 1 
          3 1   4 GLU HA   1   5 CYS H     3.450 .  3.450 2.536 2.158 3.538 0.088 19 0 "[    .    1    .    2]" 1 
          4 1   6 GLN HA   1   7 PHE H     3.110 .  3.110 2.379 2.071 3.193 0.083 14 0 "[    .    1    .    2]" 1 
          5 1   6 GLN HB2  1   7 PHE H     4.480 .  4.480 4.021 2.825 4.489 0.009 15 0 "[    .    1    .    2]" 1 
          6 1   6 GLN HB3  1   7 PHE H     4.480 .  4.480 3.671 1.736 4.574 0.094 12 0 "[    .    1    .    2]" 1 
          7 1   7 PHE HA   1   8 VAL H     3.020 .  3.020 2.266 2.103 2.730     .  0 0 "[    .    1    .    2]" 1 
          8 1   8 VAL H    1   9 CYS H     5.500 .  5.500 4.373 4.099 4.576     .  0 0 "[    .    1    .    2]" 1 
          9 1   8 VAL HA   1   9 CYS H     3.210 .  3.210 2.140 2.107 2.175     .  0 0 "[    .    1    .    2]" 1 
         10 1   8 VAL HB   1   9 CYS H     5.130 .  5.130 4.245 4.117 4.387     .  0 0 "[    .    1    .    2]" 1 
         11 1   9 CYS HA   1  10 GLU H     3.170 .  3.170 2.207 2.111 2.373     .  0 0 "[    .    1    .    2]" 1 
         12 1   9 CYS HB2  1  10 GLU H     4.480 .  4.480 3.781 2.557 4.397     .  0 0 "[    .    1    .    2]" 1 
         13 1   9 CYS HB3  1  10 GLU H     4.480 .  4.480 3.636 2.637 4.225     .  0 0 "[    .    1    .    2]" 1 
         14 1  10 GLU H    1  11 LEU H     4.720 .  4.720 4.394 4.284 4.507     .  0 0 "[    .    1    .    2]" 1 
         15 1  10 GLU HA   1  11 LEU H     3.240 .  3.240 2.341 2.184 2.590     .  0 0 "[    .    1    .    2]" 1 
         16 1  10 GLU HB2  1  11 LEU H     4.070 .  4.070 3.439 2.062 4.114 0.044 11 0 "[    .    1    .    2]" 1 
         17 1  10 GLU HB3  1  11 LEU H     4.070 .  4.070 3.336 2.249 3.977     .  0 0 "[    .    1    .    2]" 1 
         18 1  11 LEU HA   1  12 LYS H     2.860 .  2.860 2.152 2.102 2.188     .  0 0 "[    .    1    .    2]" 1 
         19 1  11 LEU HB2  1  12 LYS H     4.350 .  4.350 4.192 2.973 4.446 0.096 18 0 "[    .    1    .    2]" 1 
         20 1  11 LEU HB3  1  12 LYS H     5.000 .  5.000 4.242 3.818 4.438     .  0 0 "[    .    1    .    2]" 1 
         21 1  12 LYS H    1  13 GLU H     5.410 .  5.410 4.423 4.269 4.552     .  0 0 "[    .    1    .    2]" 1 
         22 1  12 LYS HA   1  13 GLU H     3.210 .  3.210 2.301 2.101 2.550     .  0 0 "[    .    1    .    2]" 1 
         23 1  13 GLU HB2  1  14 LEU H     4.480 .  4.480 3.514 2.649 4.340     .  0 0 "[    .    1    .    2]" 1 
         24 1  13 GLU HB3  1  14 LEU H     4.480 .  4.480 3.785 2.915 4.296     .  0 0 "[    .    1    .    2]" 1 
         25 1  14 LEU HA   1  15 ALA H     3.050 .  3.050 2.192 2.120 2.420     .  0 0 "[    .    1    .    2]" 1 
         26 1  14 LEU HB2  1  15 ALA H     4.660 .  4.660 4.180 3.697 4.572     .  0 0 "[    .    1    .    2]" 1 
         27 1  14 LEU HB3  1  15 ALA H     4.660 .  4.660 3.293 2.337 4.050     .  0 0 "[    .    1    .    2]" 1 
         28 1  16 PRO HA   1  17 VAL H     3.140 .  3.140 2.184 2.147 2.330     .  0 0 "[    .    1    .    2]" 1 
         29 1  18 PRO HA   1  19 ALA H     2.930 .  2.930 2.158 2.126 2.202     .  0 0 "[    .    1    .    2]" 1 
         30 1  18 PRO HB3  1  19 ALA H     4.290 .  4.290 3.889 3.435 4.305 0.015 11 0 "[    .    1    .    2]" 1 
         31 1  19 ALA HA   1  20 LEU H     3.020 .  3.020 2.337 2.162 2.544     .  0 0 "[    .    1    .    2]" 1 
         32 1  20 LEU HA   1  21 LEU H     3.110 .  3.110 2.185 2.123 2.259     .  0 0 "[    .    1    .    2]" 1 
         33 1  20 LEU HB2  1  21 LEU H     4.600 .  4.600 4.124 2.861 4.514     .  0 0 "[    .    1    .    2]" 1 
         34 1  20 LEU HB3  1  21 LEU H     4.600 .  4.600 3.637 3.054 4.122     .  0 0 "[    .    1    .    2]" 1 
         35 1  22 ILE HA   1  23 ARG H     2.990 .  2.990 2.225 2.137 2.537     .  0 0 "[    .    1    .    2]" 1 
         36 1  23 ARG H    1  24 THR H     4.660 .  4.660 4.328 4.034 4.465     .  0 0 "[    .    1    .    2]" 1 
         37 1  23 ARG HA   1  24 THR H     3.020 .  3.020 2.115 2.025 2.211     .  0 0 "[    .    1    .    2]" 1 
         38 1  23 ARG HB2  1  24 THR H     5.380 .  5.380 3.812 3.351 4.451     .  0 0 "[    .    1    .    2]" 1 
         39 1  23 ARG HB3  1  24 THR H     5.380 .  5.380 4.093 3.317 4.431     .  0 0 "[    .    1    .    2]" 1 
         40 1  24 THR HA   1  25 GLN H     2.900 .  2.900 2.261 2.130 2.463     .  0 0 "[    .    1    .    2]" 1 
         41 1  24 THR HB   1  25 GLN H     4.290 .  4.290 4.001 2.504 4.418 0.128 20 0 "[    .    1    .    2]" 1 
         42 1  25 GLN HA   1  26 THR H     3.080 .  3.080 2.186 2.049 2.319     .  0 0 "[    .    1    .    2]" 1 
         43 1  26 THR HA   1  27 ALA H     3.420 .  3.420 2.361 2.150 2.815     .  0 0 "[    .    1    .    2]" 1 
         44 1  26 THR HB   1  27 ALA H     4.630 .  4.630 3.708 2.104 4.399     .  0 0 "[    .    1    .    2]" 1 
         45 1  27 ALA HA   1  28 MET H     3.480 .  3.480 2.404 2.099 2.709     .  0 0 "[    .    1    .    2]" 1 
         46 1  28 MET H    1  29 SER H     4.260 .  4.260 3.372 2.532 4.523 0.263 11 0 "[    .    1    .    2]" 1 
         47 1  30 GLU HB2  1  31 LEU H     4.660 .  4.660 4.183 2.960 4.621     .  0 0 "[    .    1    .    2]" 1 
         48 1  30 GLU HB3  1  31 LEU H     4.660 .  4.660 3.728 2.650 4.361     .  0 0 "[    .    1    .    2]" 1 
         49 1  31 LEU HB2  1  32 GLY H     4.380 .  4.380 3.540 2.441 4.102     .  0 0 "[    .    1    .    2]" 1 
         50 1  31 LEU HB3  1  32 GLY H     4.380 .  4.380 3.007 2.176 4.386 0.006  4 0 "[    .    1    .    2]" 1 
         51 1  34 LEU H    1  35 PHE H     4.040 .  4.040 2.674 2.485 2.888     .  0 0 "[    .    1    .    2]" 1 
         52 1  34 LEU HB2  1  35 PHE H     4.140 .  4.140 3.426 2.489 4.012     .  0 0 "[    .    1    .    2]" 1 
         53 1  35 PHE H    1  36 GLU H     3.730 .  3.730 2.642 2.325 2.770     .  0 0 "[    .    1    .    2]" 1 
         54 1  35 PHE HB2  1  36 GLU H     4.720 .  4.720 2.815 2.353 4.049     .  0 0 "[    .    1    .    2]" 1 
         55 1  35 PHE HB3  1  36 GLU H     4.720 .  4.720 3.479 2.601 4.297     .  0 0 "[    .    1    .    2]" 1 
         56 1  37 ALA H    1  38 GLY H     3.450 .  3.450 2.500 2.276 2.753     .  0 0 "[    .    1    .    2]" 1 
         57 1  38 GLY H    1  39 TYR H     3.950 .  3.950 2.797 2.611 2.974     .  0 0 "[    .    1    .    2]" 1 
         58 1  39 TYR HB2  1  40 HIS H     5.100 .  5.100 3.900 2.767 4.312     .  0 0 "[    .    1    .    2]" 1 
         59 1  39 TYR HB3  1  40 HIS H     5.100 .  5.100 3.584 2.554 4.277     .  0 0 "[    .    1    .    2]" 1 
         60 1  46 LEU H    1  47 ALA H     3.420 .  3.420 2.517 2.208 2.792     .  0 0 "[    .    1    .    2]" 1 
         61 1  46 LEU HB2  1  47 ALA H     3.300 .  3.300 2.850 2.298 3.474 0.174  1 0 "[    .    1    .    2]" 1 
         62 1  46 LEU HB3  1  47 ALA H     4.040 .  4.040 2.970 1.992 3.754     .  0 0 "[    .    1    .    2]" 1 
         63 1  47 ALA H    1  48 GLY H     3.270 .  3.270 2.573 2.314 2.782     .  0 0 "[    .    1    .    2]" 1 
         64 1  48 GLY H    1  49 GLN H     3.270 .  3.270 2.611 2.052 3.333 0.063 17 0 "[    .    1    .    2]" 1 
         65 1  51 LYS HA   1  52 SER H     2.930 .  2.930 2.506 2.320 2.662     .  0 0 "[    .    1    .    2]" 1 
         66 1  51 LYS HB2  1  52 SER H     3.640 .  3.640 3.006 1.956 3.711 0.071  9 0 "[    .    1    .    2]" 1 
         67 1  51 LYS HB3  1  52 SER H     3.640 .  3.640 2.714 1.971 3.687 0.047  1 0 "[    .    1    .    2]" 1 
         68 1  53 PRO HA   1  54 SER H     3.210 .  3.210 2.243 2.121 2.607     .  0 0 "[    .    1    .    2]" 1 
         69 1  53 PRO HB2  1  54 SER H     4.070 .  4.070 3.399 2.332 3.936     .  0 0 "[    .    1    .    2]" 1 
         70 1  54 SER H    1  55 GLY H     3.270 .  3.270 2.500 2.024 3.276 0.006  7 0 "[    .    1    .    2]" 1 
         71 1  57 PRO HA   1  58 PHE H     3.300 .  3.300 2.235 2.138 2.366     .  0 0 "[    .    1    .    2]" 1 
         72 1  58 PHE HB2  1  59 ALA H     4.850 .  4.850 3.419 2.058 4.200     .  0 0 "[    .    1    .    2]" 1 
         73 1  59 ALA HA   1  60 ARG H     3.390 .  3.390 2.151 2.097 2.247     .  0 0 "[    .    1    .    2]" 1 
         74 1  60 ARG HA   1  61 TYR H     3.420 .  3.420 2.149 2.032 2.235     .  0 0 "[    .    1    .    2]" 1 
         75 1  61 TYR HA   1  62 PHE H     3.420 .  3.420 2.132 2.068 2.191     .  0 0 "[    .    1    .    2]" 1 
         76 1  68 THR HB   1  69 PHE H     4.110 .  4.110 3.912 2.701 4.147 0.037 14 0 "[    .    1    .    2]" 1 
         77 1  69 PHE H    1  70 GLU H     5.250 .  5.250 4.358 4.185 4.519     .  0 0 "[    .    1    .    2]" 1 
         78 1  69 PHE HA   1  70 GLU H     3.520 .  3.520 2.206 2.085 2.642     .  0 0 "[    .    1    .    2]" 1 
         79 1  69 PHE HB2  1  70 GLU H     4.320 .  4.320 3.761 2.053 4.495 0.175 17 0 "[    .    1    .    2]" 1 
         80 1  70 GLU H    1  71 VAL H     5.470 .  5.470 4.442 4.294 4.572     .  0 0 "[    .    1    .    2]" 1 
         81 1  70 GLU HA   1  71 VAL H     3.170 .  3.170 2.185 2.078 2.349     .  0 0 "[    .    1    .    2]" 1 
         82 1  71 VAL H    1  72 GLU H     5.190 .  5.190 4.363 4.178 4.526     .  0 0 "[    .    1    .    2]" 1 
         83 1  71 VAL HA   1  72 GLU H     3.170 .  3.170 2.179 2.076 2.385     .  0 0 "[    .    1    .    2]" 1 
         84 1  71 VAL HB   1  72 GLU H     3.520 .  3.520 3.012 2.325 3.432     .  0 0 "[    .    1    .    2]" 1 
         85 1  76 PRO HA   1  77 VAL H     3.020 .  3.020 2.222 2.134 2.396     .  0 0 "[    .    1    .    2]" 1 
         86 1  76 PRO HB2  1  77 VAL H     4.630 .  4.630 3.334 2.683 3.814     .  0 0 "[    .    1    .    2]" 1 
         87 1  76 PRO HB3  1  77 VAL H     4.630 .  4.630 3.595 3.086 4.003     .  0 0 "[    .    1    .    2]" 1 
         88 1  77 VAL HA   1  78 GLU H     3.240 .  3.240 2.478 2.242 2.738     .  0 0 "[    .    1    .    2]" 1 
         89 1  78 GLU H    1  79 GLY H     3.760 .  3.760 2.568 2.048 3.020     .  0 0 "[    .    1    .    2]" 1 
         90 1  81 VAL HA   1  82 GLU H     2.800 .  2.800 2.308 2.196 2.414     .  0 0 "[    .    1    .    2]" 1 
         91 1  82 GLU H    1  83 GLY H     4.510 .  4.510 4.415 4.293 4.570 0.060  6 0 "[    .    1    .    2]" 1 
         92 1  82 GLU HA   1  83 GLY H     2.860 .  2.860 2.372 2.093 2.804     .  0 0 "[    .    1    .    2]" 1 
         93 1  83 GLY H    1  84 SER H     4.820 .  4.820 4.499 4.255 4.630     .  0 0 "[    .    1    .    2]" 1 
         94 1  84 SER HA   1  85 GLY H     3.480 .  3.480 2.570 2.145 3.560 0.080 13 0 "[    .    1    .    2]" 1 
         95 1  87 VAL HA   1  88 VAL H     3.520 .  3.520 2.192 2.127 2.260     .  0 0 "[    .    1    .    2]" 1 
         96 1  87 VAL HB   1  88 VAL H     5.380 .  5.380 4.204 3.901 4.367     .  0 0 "[    .    1    .    2]" 1 
         97 1  88 VAL HB   1  89 THR H     3.050 .  3.050 2.535 1.799 3.080 0.030 17 0 "[    .    1    .    2]" 1 
         98 1  89 THR HA   1  90 GLY H     3.020 .  3.020 2.290 2.207 2.487     .  0 0 "[    .    1    .    2]" 1 
         99 1  89 THR HB   1  90 GLY H     3.420 .  3.420 3.418 2.882 3.682 0.262 16 0 "[    .    1    .    2]" 1 
        100 1  90 GLY HA2  1  91 LEU H     3.270 .  3.270 2.700 2.196 3.038     .  0 0 "[    .    1    .    2]" 1 
        101 1  90 GLY HA3  1  91 LEU H     3.270 .  3.270 2.471 2.192 3.000     .  0 0 "[    .    1    .    2]" 1 
        102 1  91 LEU HA   1  92 THR H     2.960 .  2.960 2.285 2.153 2.514     .  0 0 "[    .    1    .    2]" 1 
        103 1  91 LEU HB3  1  92 THR H     5.500 .  5.500 3.367 2.717 4.185     .  0 0 "[    .    1    .    2]" 1 
        104 1  93 PRO HA   1  94 SER H     2.830 .  2.830 2.233 2.137 2.486     .  0 0 "[    .    1    .    2]" 1 
        105 1  93 PRO HB2  1  94 SER H     3.980 .  3.980 3.309 2.383 3.991 0.011 18 0 "[    .    1    .    2]" 1 
        106 1  93 PRO HB3  1  94 SER H     3.980 .  3.980 3.607 3.080 3.990 0.010  9 0 "[    .    1    .    2]" 1 
        107 1  94 SER HA   1  95 GLY H     3.420 .  3.420 2.241 2.138 2.714     .  0 0 "[    .    1    .    2]" 1 
        108 1  94 SER HB2  1  95 GLY H     4.260 .  4.260 3.585 2.447 4.195     .  0 0 "[    .    1    .    2]" 1 
        109 1  94 SER HB3  1  95 GLY H     4.260 .  4.260 3.634 2.875 4.075     .  0 0 "[    .    1    .    2]" 1 
        110 1  95 GLY HA2  1  96 LYS H     3.450 .  3.450 2.754 2.320 3.264     .  0 0 "[    .    1    .    2]" 1 
        111 1  96 LYS H    1  97 ALA H     4.630 .  4.630 4.450 4.321 4.601     .  0 0 "[    .    1    .    2]" 1 
        112 1  96 LYS HA   1  97 ALA H     3.240 .  3.240 2.224 2.111 2.366     .  0 0 "[    .    1    .    2]" 1 
        113 1  96 LYS HB2  1  97 ALA H     4.720 .  4.720 3.750 2.536 4.579     .  0 0 "[    .    1    .    2]" 1 
        114 1  96 LYS HB3  1  97 ALA H     4.720 .  4.720 3.315 2.462 4.005     .  0 0 "[    .    1    .    2]" 1 
        115 1  97 ALA HA   1  98 ALA H     3.330 .  3.330 2.333 2.207 2.531     .  0 0 "[    .    1    .    2]" 1 
        116 1  98 ALA HA   1  99 SER H     3.240 .  3.240 2.144 2.093 2.200     .  0 0 "[    .    1    .    2]" 1 
        117 1  99 SER HA   1 100 SER H     3.110 .  3.110 2.206 2.125 2.366     .  0 0 "[    .    1    .    2]" 1 
        118 1 100 SER HA   1 101 LEU H     3.450 .  3.450 2.298 2.126 2.570     .  0 0 "[    .    1    .    2]" 1 
        119 1 101 LEU HA   1 102 TYR H     3.480 .  3.480 2.138 2.036 2.253     .  0 0 "[    .    1    .    2]" 1 
        120 1 102 TYR HA   1 103 ILE H     3.210 .  3.210 2.171 2.128 2.232     .  0 0 "[    .    1    .    2]" 1 
        121 1 103 ILE HA   1 104 GLY H     3.390 .  3.390 2.157 2.083 2.255     .  0 0 "[    .    1    .    2]" 1 
        122 1 110 GLU HB2  1 111 ALA H     5.280 .  5.280 3.352 2.575 4.177     .  0 0 "[    .    1    .    2]" 1 
        123 1 110 GLU HB3  1 111 ALA H     5.280 .  5.280 3.493 2.500 4.318     .  0 0 "[    .    1    .    2]" 1 
        124 1 111 ALA H    1 112 VAL H     3.640 .  3.640 2.745 2.521 2.863     .  0 0 "[    .    1    .    2]" 1 
        125 1 113 TYR H    1 114 ASP H     3.790 .  3.790 2.667 2.445 2.825     .  0 0 "[    .    1    .    2]" 1 
        126 1 113 TYR HB2  1 114 ASP H     4.660 .  4.660 3.250 2.435 4.023     .  0 0 "[    .    1    .    2]" 1 
        127 1 113 TYR HB3  1 114 ASP H     4.660 .  4.660 3.050 2.419 3.820     .  0 0 "[    .    1    .    2]" 1 
        128 1 114 ASP H    1 115 ALA H     3.860 .  3.860 2.704 2.526 2.871     .  0 0 "[    .    1    .    2]" 1 
        129 1 114 ASP HB2  1 115 ALA H     4.040 .  4.040 3.692 2.906 4.077 0.037 10 0 "[    .    1    .    2]" 1 
        130 1 114 ASP HB3  1 115 ALA H     4.040 .  4.040 2.810 2.320 3.901     .  0 0 "[    .    1    .    2]" 1 
        131 1 117 MET H    1 118 LYS H     3.830 .  3.830 2.656 2.407 2.828     .  0 0 "[    .    1    .    2]" 1 
        132 1 119 TRP H    1 120 VAL H     3.860 .  3.860 2.685 2.534 2.906     .  0 0 "[    .    1    .    2]" 1 
        133 1 120 VAL HB   1 121 ASP H     3.730 .  3.730 3.694 2.454 3.968 0.238  1 0 "[    .    1    .    2]" 1 
        134 1 121 ASP H    1 122 ASP H     3.670 .  3.670 2.670 2.496 2.937     .  0 0 "[    .    1    .    2]" 1 
        135 1 121 ASP HB2  1 122 ASP H     4.350 .  4.350 3.920 3.738 4.028     .  0 0 "[    .    1    .    2]" 1 
        136 1 121 ASP HB3  1 122 ASP H     4.350 .  4.350 2.641 2.340 2.860     .  0 0 "[    .    1    .    2]" 1 
        137 1 122 ASP H    1 123 ASN H     3.480 .  3.480 2.598 2.320 2.807     .  0 0 "[    .    1    .    2]" 1 
        138 1 122 ASP HB2  1 123 ASN H     4.760 .  4.760 3.955 3.785 4.125     .  0 0 "[    .    1    .    2]" 1 
        139 1 125 PHE HA   1 126 ASP H     3.270 .  3.270 2.451 2.253 2.620     .  0 0 "[    .    1    .    2]" 1 
        140 1 125 PHE HB2  1 126 ASP H     3.830 .  3.830 3.623 2.002 3.965 0.135 12 0 "[    .    1    .    2]" 1 
        141 1 126 ASP HA   1 127 LEU H     3.170 .  3.170 2.323 2.091 2.672     .  0 0 "[    .    1    .    2]" 1 
        142 1 126 ASP HB2  1 127 LEU H     5.040 .  5.040 3.391 2.077 4.277     .  0 0 "[    .    1    .    2]" 1 
        143 1 126 ASP HB3  1 127 LEU H     5.040 .  5.040 3.726 2.231 4.428     .  0 0 "[    .    1    .    2]" 1 
        144 1 127 LEU HA   1 128 SER H     3.240 .  3.240 2.198 2.129 2.429     .  0 0 "[    .    1    .    2]" 1 
        145 1 127 LEU HB2  1 128 SER H     5.160 .  5.160 4.128 3.601 4.391     .  0 0 "[    .    1    .    2]" 1 
        146 1 127 LEU HB3  1 128 SER H     4.290 .  4.290 3.186 2.334 3.905     .  0 0 "[    .    1    .    2]" 1 
        147 1 131 ALA HA   1 132 TYR H     3.390 .  3.390 2.234 2.143 2.365     .  0 0 "[    .    1    .    2]" 1 
        148 1 132 TYR HA   1 133 GLU H     3.270 .  3.270 2.149 2.095 2.213     .  0 0 "[    .    1    .    2]" 1 
        149 1 133 GLU HA   1 134 ILE H     3.110 .  3.110 2.241 2.100 2.510     .  0 0 "[    .    1    .    2]" 1 
        150 1 134 ILE HA   1 135 TYR H     3.210 .  3.210 2.178 2.136 2.283     .  0 0 "[    .    1    .    2]" 1 
        151 1 136 LEU HB2  1 137 ASP H     4.790 .  4.790 3.075 1.721 4.460     .  0 0 "[    .    1    .    2]" 1 
        152 1 136 LEU HB3  1 137 ASP H     4.790 .  4.790 3.339 1.479 4.583     .  0 0 "[    .    1    .    2]" 1 
        153 1 137 ASP HB3  1 138 ASN H     5.280 .  5.280 2.894 1.745 4.373     .  0 0 "[    .    1    .    2]" 1 
        154 1 139 PRO HB3  1 140 ALA H     3.450 .  3.450 3.239 2.641 3.515 0.065 11 0 "[    .    1    .    2]" 1 
        155 1 140 ALA H    1 141 GLU H     3.110 .  3.110 3.088 2.612 3.403 0.293  9 0 "[    .    1    .    2]" 1 
        156 1 141 GLU HB2  1 142 THR H     4.230 .  4.230 3.605 2.533 4.209     .  0 0 "[    .    1    .    2]" 1 
        157 1 141 GLU HB3  1 142 THR H     4.230 .  4.230 3.285 1.820 4.380 0.150 17 0 "[    .    1    .    2]" 1 
        158 1 142 THR HA   1 143 ALA H     3.480 .  3.480 2.890 2.166 3.548 0.068  8 0 "[    .    1    .    2]" 1 
        159 1 142 THR HB   1 143 ALA H     5.190 .  5.190 3.790 1.809 4.576     .  0 0 "[    .    1    .    2]" 1 
        160 1 144 PRO HB2  1 145 ASP H     4.200 .  4.200 3.269 2.266 3.768     .  0 0 "[    .    1    .    2]" 1 
        161 1 147 LEU HA   1 148 ARG H     3.360 .  3.360 2.244 2.108 2.807     .  0 0 "[    .    1    .    2]" 1 
        162 1 148 ARG HA   1 149 THR H     3.270 .  3.270 2.140 2.089 2.217     .  0 0 "[    .    1    .    2]" 1 
        163 1 150 ARG HA   1 151 VAL H     3.520 .  3.520 2.169 2.102 2.248     .  0 0 "[    .    1    .    2]" 1 
        164 1 152 SER HA   1 153 LEU H     3.080 .  3.080 2.211 2.106 2.329     .  0 0 "[    .    1    .    2]" 1 
        165 1 153 LEU HA   1 154 MET H     3.520 .  3.520 2.427 2.211 2.731     .  0 0 "[    .    1    .    2]" 1 
        166 1 153 LEU HB2  1 154 MET H     5.070 .  5.070 3.269 1.849 4.318     .  0 0 "[    .    1    .    2]" 1 
        167 1 153 LEU HB3  1 154 MET H     5.070 .  5.070 2.955 1.750 3.960     .  0 0 "[    .    1    .    2]" 1 
        168 1 154 MET H    1 155 LEU H     5.440 .  5.440 4.229 2.928 4.623     .  0 0 "[    .    1    .    2]" 1 
        169 1 155 LEU HB2  1 156 HIS H     4.380 .  4.380 3.728 2.362 4.462 0.082  3 0 "[    .    1    .    2]" 1 
        170 1 155 LEU HB3  1 156 HIS H     4.380 .  4.380 3.475 2.107 4.547 0.167  5 0 "[    .    1    .    2]" 1 
        171 1 156 HIS HB2  1 157 GLU H     5.500 .  5.500 3.947 2.416 4.658     .  0 0 "[    .    1    .    2]" 1 
        172 1 159 LEU H    1 160 GLU H     4.290 .  4.290 3.411 1.792 4.471 0.181 10 0 "[    .    1    .    2]" 1 
        173 1 160 GLU HA   1 161 HIS H     2.860 .  2.860 2.318 2.103 2.917 0.057 17 0 "[    .    1    .    2]" 1 
        174 1   6 GLN H    1   6 GLN HB2   3.950 .  3.950 3.090 2.401 3.900     .  0 0 "[    .    1    .    2]" 1 
        175 1   6 GLN H    1   6 GLN HB3   3.950 .  3.950 3.464 2.498 4.086 0.136  2 0 "[    .    1    .    2]" 1 
        176 1   7 PHE H    1   7 PHE HB2   3.950 .  3.950 3.064 2.411 4.005 0.055 15 0 "[    .    1    .    2]" 1 
        177 1  11 LEU H    1  11 LEU HB3   3.450 .  3.450 2.581 2.267 3.200     .  0 0 "[    .    1    .    2]" 1 
        178 1  12 LYS H    1  12 LYS HB2   4.010 .  4.010 2.965 2.471 3.948     .  0 0 "[    .    1    .    2]" 1 
        179 1  12 LYS H    1  12 LYS HB3   4.010 .  4.010 3.373 2.684 3.858     .  0 0 "[    .    1    .    2]" 1 
        180 1  14 LEU H    1  14 LEU HB2   3.790 .  3.790 2.449 2.152 2.647     .  0 0 "[    .    1    .    2]" 1 
        181 1  14 LEU H    1  14 LEU HB3   3.790 .  3.790 3.477 2.496 3.724     .  0 0 "[    .    1    .    2]" 1 
        182 1  22 ILE H    1  22 ILE HB    3.790 .  3.790 2.914 2.504 3.604     .  0 0 "[    .    1    .    2]" 1 
        183 1  23 ARG H    1  23 ARG HB2   3.950 .  3.950 3.289 2.387 3.759     .  0 0 "[    .    1    .    2]" 1 
        184 1  23 ARG H    1  23 ARG HB3   3.950 .  3.950 3.053 2.465 3.775     .  0 0 "[    .    1    .    2]" 1 
        185 1  31 LEU H    1  31 LEU HB3   3.520 .  3.520 2.856 2.375 3.577 0.057  9 0 "[    .    1    .    2]" 1 
        186 1  34 LEU H    1  34 LEU HB2   3.920 .  3.920 2.411 2.095 3.622     .  0 0 "[    .    1    .    2]" 1 
        187 1  36 GLU H    1  36 GLU HB3   3.640 .  3.640 3.051 2.475 3.608     .  0 0 "[    .    1    .    2]" 1 
        188 1  40 HIS H    1  40 HIS HB2   3.730 .  3.730 2.593 2.100 3.662     .  0 0 "[    .    1    .    2]" 1 
        189 1  40 HIS H    1  40 HIS HB3   3.730 .  3.730 2.740 2.373 3.627     .  0 0 "[    .    1    .    2]" 1 
        190 1  46 LEU H    1  46 LEU HB2   3.330 .  3.330 2.381 2.204 2.830     .  0 0 "[    .    1    .    2]" 1 
        191 1  46 LEU H    1  46 LEU HB3   3.790 .  3.790 3.304 2.576 3.703     .  0 0 "[    .    1    .    2]" 1 
        192 1  49 GLN H    1  49 GLN HB2   3.830 .  3.830 2.578 2.330 3.391     .  0 0 "[    .    1    .    2]" 1 
        193 1  49 GLN H    1  49 GLN HB3   3.830 .  3.830 3.078 2.412 3.762     .  0 0 "[    .    1    .    2]" 1 
        194 1  51 LYS H    1  51 LYS HB2   3.980 .  3.980 3.073 2.367 3.957     .  0 0 "[    .    1    .    2]" 1 
        195 1  51 LYS H    1  51 LYS HB3   3.980 .  3.980 3.598 2.460 3.883     .  0 0 "[    .    1    .    2]" 1 
        196 1  52 SER H    1  52 SER HB2   3.980 .  3.980 3.256 2.696 3.837     .  0 0 "[    .    1    .    2]" 1 
        197 1  52 SER H    1  52 SER HB3   3.980 .  3.980 3.574 3.059 3.948     .  0 0 "[    .    1    .    2]" 1 
        198 1  64 MET H    1  64 MET HB2   4.040 .  4.040 2.801 2.288 3.743     .  0 0 "[    .    1    .    2]" 1 
        199 1  64 MET H    1  64 MET HB3   4.040 .  4.040 3.620 2.877 4.100 0.060 11 0 "[    .    1    .    2]" 1 
        200 1  68 THR H    1  68 THR HB    3.480 .  3.480 2.769 2.531 3.599 0.119 12 0 "[    .    1    .    2]" 1 
        201 1  81 VAL H    1  81 VAL HB    3.110 .  3.110 2.757 2.637 2.919     .  0 0 "[    .    1    .    2]" 1 
        202 1  87 VAL H    1  87 VAL HB    3.330 .  3.330 2.743 2.518 3.303     .  0 0 "[    .    1    .    2]" 1 
        203 1  89 THR H    1  89 THR HB    3.950 .  3.950 3.128 2.732 3.629     .  0 0 "[    .    1    .    2]" 1 
        204 1 101 LEU H    1 101 LEU HB2   3.670 .  3.670 3.030 2.358 3.719 0.049 18 0 "[    .    1    .    2]" 1 
        205 1 101 LEU H    1 101 LEU HB3   3.670 .  3.670 3.276 2.616 3.724 0.054 16 0 "[    .    1    .    2]" 1 
        206 1 109 ILE H    1 109 ILE HB    3.240 .  3.240 2.545 2.405 2.664     .  0 0 "[    .    1    .    2]" 1 
        207 1 110 GLU H    1 110 GLU HB2   3.610 .  3.610 2.641 2.322 3.619 0.009  4 0 "[    .    1    .    2]" 1 
        208 1 110 GLU H    1 110 GLU HB3   3.610 .  3.610 3.101 2.468 3.613 0.003 19 0 "[    .    1    .    2]" 1 
        209 1 113 TYR H    1 113 TYR HB2   3.890 .  3.890 2.386 2.101 2.754     .  0 0 "[    .    1    .    2]" 1 
        210 1 113 TYR H    1 113 TYR HB3   3.890 .  3.890 3.107 2.371 3.614     .  0 0 "[    .    1    .    2]" 1 
        211 1 116 LEU H    1 116 LEU HB2   4.070 .  4.070 2.403 2.069 3.644     .  0 0 "[    .    1    .    2]" 1 
        212 1 116 LEU H    1 116 LEU HB3   4.070 .  4.070 3.357 2.457 3.590     .  0 0 "[    .    1    .    2]" 1 
        213 1 118 LYS H    1 118 LYS HB3   3.420 .  3.420 2.636 2.307 3.451 0.031  5 0 "[    .    1    .    2]" 1 
        214 1 120 VAL H    1 120 VAL HB    3.240 .  3.240 2.527 2.401 2.649     .  0 0 "[    .    1    .    2]" 1 
        215 1 121 ASP H    1 121 ASP HB2   3.420 .  3.420 2.594 2.501 2.731     .  0 0 "[    .    1    .    2]" 1 
        216 1 121 ASP H    1 121 ASP HB3   3.420 .  3.420 2.482 2.365 2.584     .  0 0 "[    .    1    .    2]" 1 
        217 1 122 ASP H    1 122 ASP HB2   3.480 .  3.480 2.681 2.432 3.569 0.089  7 0 "[    .    1    .    2]" 1 
        218 1 122 ASP H    1 122 ASP HB3   3.480 .  3.480 2.440 2.318 2.564     .  0 0 "[    .    1    .    2]" 1 
        219 1 123 ASN H    1 123 ASN HB2   4.170 .  4.170 2.414 2.182 3.658     .  0 0 "[    .    1    .    2]" 1 
        220 1 123 ASN H    1 123 ASN HB3   4.170 .  4.170 3.173 2.530 3.661     .  0 0 "[    .    1    .    2]" 1 
        221 1 125 PHE H    1 125 PHE HB2   4.010 .  4.010 2.697 2.195 4.061 0.051 20 0 "[    .    1    .    2]" 1 
        222 1 125 PHE H    1 125 PHE HB3   3.480 .  3.480 3.400 2.691 3.699 0.219 13 0 "[    .    1    .    2]" 1 
        223 1 127 LEU H    1 127 LEU HB2   3.300 .  3.300 2.674 2.364 3.318 0.018  5 0 "[    .    1    .    2]" 1 
        224 1 134 ILE H    1 134 ILE HB    3.950 .  3.950 3.009 2.423 3.921     .  0 0 "[    .    1    .    2]" 1 
        225 1 135 TYR H    1 135 TYR HB3   3.890 .  3.890 3.639 2.861 3.814     .  0 0 "[    .    1    .    2]" 1 
        226 1 138 ASN H    1 138 ASN HB2   3.950 .  3.950 2.863 2.303 3.872     .  0 0 "[    .    1    .    2]" 1 
        227 1 141 GLU H    1 141 GLU HB2   3.860 .  3.860 2.788 2.228 3.742     .  0 0 "[    .    1    .    2]" 1 
        228 1 141 GLU H    1 141 GLU HB3   3.860 .  3.860 3.061 2.422 3.971 0.111 17 0 "[    .    1    .    2]" 1 
        229 1 142 THR H    1 142 THR HB    3.300 .  3.300 3.039 2.523 3.478 0.178 13 0 "[    .    1    .    2]" 1 
        230 1 145 ASP H    1 145 ASP HB2   3.790 .  3.790 3.193 2.391 3.646     .  0 0 "[    .    1    .    2]" 1 
        231 1 145 ASP H    1 145 ASP HB3   3.790 .  3.790 3.495 2.483 3.731     .  0 0 "[    .    1    .    2]" 1 
        232 1 146 GLN H    1 146 GLN HB2   4.140 .  4.140 2.654 2.324 3.735     .  0 0 "[    .    1    .    2]" 1 
        233 1 146 GLN H    1 146 GLN HB3   4.140 .  4.140 3.346 2.570 3.761     .  0 0 "[    .    1    .    2]" 1 
        234 1 147 LEU H    1 147 LEU HB2   3.920 .  3.920 2.496 2.197 3.765     .  0 0 "[    .    1    .    2]" 1 
        235 1 147 LEU H    1 147 LEU HB3   3.920 .  3.920 3.335 2.597 3.606     .  0 0 "[    .    1    .    2]" 1 
        236 1 151 VAL H    1 151 VAL HB    3.730 .  3.730 2.902 2.801 3.121     .  0 0 "[    .    1    .    2]" 1 
        237 1 153 LEU H    1 153 LEU HB2   4.040 .  4.040 2.976 2.275 3.838     .  0 0 "[    .    1    .    2]" 1 
        238 1 153 LEU H    1 153 LEU HB3   4.040 .  4.040 3.325 2.588 3.835     .  0 0 "[    .    1    .    2]" 1 
        239 1 156 HIS H    1 156 HIS HB2   3.730 .  3.730 3.011 2.154 3.923 0.193  3 0 "[    .    1    .    2]" 1 
        240 1 156 HIS H    1 156 HIS HB3   3.730 .  3.730 3.141 2.405 3.728     .  0 0 "[    .    1    .    2]" 1 
        241 1 160 GLU H    1 160 GLU HA    2.800 .  2.800 2.778 2.243 2.932 0.132 12 0 "[    .    1    .    2]" 1 
        242 1   6 GLN H    1   7 PHE H     4.110 .  4.110 3.834 2.229 4.281 0.171 10 0 "[    .    1    .    2]" 1 
        243 1   7 PHE H    1   8 VAL H     4.880 .  4.880 4.219 2.756 4.618     .  0 0 "[    .    1    .    2]" 1 
        244 1  13 GLU H    1  14 LEU H     4.540 .  4.540 4.459 4.304 4.574 0.034  8 0 "[    .    1    .    2]" 1 
        245 1  14 LEU H    1  15 ALA H     4.720 .  4.720 4.443 4.107 4.589     .  0 0 "[    .    1    .    2]" 1 
        246 1  25 GLN H    1  26 THR H     5.160 .  5.160 4.455 4.307 4.597     .  0 0 "[    .    1    .    2]" 1 
        247 1  29 SER H    1  30 GLU H     3.860 .  3.860 2.655 1.953 3.498     .  0 0 "[    .    1    .    2]" 1 
        248 1  30 GLU H    1  31 LEU H     3.520 .  3.520 2.451 1.565 3.593 0.073 18 0 "[    .    1    .    2]" 1 
        249 1  31 LEU H    1  32 GLY H     3.860 .  3.860 2.757 2.412 3.115     .  0 0 "[    .    1    .    2]" 1 
        250 1  32 GLY H    1  33 SER H     3.610 .  3.610 2.778 2.218 3.203     .  0 0 "[    .    1    .    2]" 1 
        251 1  33 SER H    1  34 LEU H     3.420 .  3.420 2.642 2.436 2.855     .  0 0 "[    .    1    .    2]" 1 
        252 1  36 GLU H    1  37 ALA H     3.790 .  3.790 2.776 2.563 2.966     .  0 0 "[    .    1    .    2]" 1 
        253 1  39 TYR H    1  40 HIS H     3.670 .  3.670 2.569 2.399 2.945     .  0 0 "[    .    1    .    2]" 1 
        254 1  49 GLN H    1  50 GLY H     2.990 .  2.990 2.309 1.795 2.554     .  0 0 "[    .    1    .    2]" 1 
        255 1  50 GLY H    1  51 LYS H     3.580 .  3.580 2.345 1.970 2.662     .  0 0 "[    .    1    .    2]" 1 
        256 1  51 LYS H    1  52 SER H     5.040 .  5.040 4.418 4.341 4.494     .  0 0 "[    .    1    .    2]" 1 
        257 1  60 ARG H    1  61 TYR H     5.070 .  5.070 4.423 4.261 4.521     .  0 0 "[    .    1    .    2]" 1 
        258 1  67 GLY H    1  68 THR H     3.860 .  3.860 3.010 1.968 3.964 0.104 11 0 "[    .    1    .    2]" 1 
        259 1  68 THR H    1  69 PHE H     5.500 .  5.500 4.440 4.146 4.641     .  0 0 "[    .    1    .    2]" 1 
        260 1  80 GLY H    1  81 VAL H     3.730 .  3.730 2.694 1.775 3.728     .  0 0 "[    .    1    .    2]" 1 
        261 1  81 VAL H    1  82 GLU H     4.660 .  4.660 4.492 4.398 4.608     .  0 0 "[    .    1    .    2]" 1 
        262 1  86 ARG H    1  87 VAL H     4.040 .  4.040 2.590 2.098 3.599     .  0 0 "[    .    1    .    2]" 1 
        263 1  87 VAL H    1  88 VAL H     4.760 .  4.760 4.373 4.130 4.595     .  0 0 "[    .    1    .    2]" 1 
        264 1  91 LEU H    1  92 THR H     5.310 .  5.310 4.407 4.210 4.526     .  0 0 "[    .    1    .    2]" 1 
        265 1  95 GLY H    1  96 LYS H     4.570 .  4.570 4.311 3.751 4.460     .  0 0 "[    .    1    .    2]" 1 
        266 1 109 ILE H    1 110 GLU H     3.760 .  3.760 2.482 2.284 2.651     .  0 0 "[    .    1    .    2]" 1 
        267 1 110 GLU H    1 111 ALA H     3.790 .  3.790 2.671 2.457 2.901     .  0 0 "[    .    1    .    2]" 1 
        268 1 112 VAL H    1 113 TYR H     3.330 .  3.330 2.424 2.245 2.634     .  0 0 "[    .    1    .    2]" 1 
        269 1 115 ALA H    1 116 LEU H     3.730 .  3.730 2.591 2.189 2.810     .  0 0 "[    .    1    .    2]" 1 
        270 1 118 LYS H    1 119 TRP H     4.510 .  4.510 2.566 2.394 2.807     .  0 0 "[    .    1    .    2]" 1 
        271 1 120 VAL H    1 121 ASP H     3.610 .  3.610 2.608 2.399 2.909     .  0 0 "[    .    1    .    2]" 1 
        272 1 123 ASN H    1 124 GLY H     3.210 .  3.210 2.495 2.207 2.715     .  0 0 "[    .    1    .    2]" 1 
        273 1 128 SER H    1 129 GLY H     4.110 .  4.110 2.908 2.075 3.807     .  0 0 "[    .    1    .    2]" 1 
        274 1 129 GLY H    1 130 GLU H     3.700 .  3.700 3.118 1.898 3.836 0.136 17 0 "[    .    1    .    2]" 1 
        275 1 141 GLU H    1 142 THR H     2.830 .  2.830 2.385 1.999 2.841 0.011 20 0 "[    .    1    .    2]" 1 
        276 1 145 ASP H    1 146 GLN H     3.140 .  3.140 2.844 2.390 3.257 0.117 17 0 "[    .    1    .    2]" 1 
        277 1 146 GLN H    1 147 LEU H     3.020 .  3.020 2.372 2.044 3.035 0.015 19 0 "[    .    1    .    2]" 1 
        278 1 149 THR H    1 150 ARG H     4.480 .  4.480 4.259 3.921 4.507 0.027  2 0 "[    .    1    .    2]" 1 
        279 1  27 ALA H    1  30 GLU HB2   4.200 .  4.200 3.385 2.173 4.246 0.046  8 0 "[    .    1    .    2]" 1 
        280 1  27 ALA H    1  30 GLU HB3   4.200 .  4.200 3.136 2.179 4.300 0.100 18 0 "[    .    1    .    2]" 1 
        281 1  31 LEU HA   1  34 LEU H     4.570 .  4.570 3.848 3.031 4.586 0.016  5 0 "[    .    1    .    2]" 1 
        282 1  33 SER HA   1  36 GLU H     3.920 .  3.920 3.639 3.306 3.898     .  0 0 "[    .    1    .    2]" 1 
        283 1  44 GLN HA   1  47 ALA H     3.920 .  3.920 3.675 2.896 4.023 0.103  9 0 "[    .    1    .    2]" 1 
        284 1  47 ALA HA   1  51 LYS H     3.950 .  3.950 3.583 2.968 4.019 0.069 10 0 "[    .    1    .    2]" 1 
        285 1  46 LEU HA   1  51 LYS H     4.850 .  4.850 4.041 3.343 4.938 0.088 12 0 "[    .    1    .    2]" 1 
        286 1  53 PRO HB2  1  55 GLY H     3.950 .  3.950 2.721 2.224 3.807     .  0 0 "[    .    1    .    2]" 1 
        287 1  53 PRO HB3  1  55 GLY H     3.950 .  3.950 3.575 3.219 3.983 0.033  8 0 "[    .    1    .    2]" 1 
        288 1  53 PRO HA   1  55 GLY H     4.290 .  4.290 3.832 3.626 4.290     .  0 0 "[    .    1    .    2]" 1 
        289 1  84 SER H    1  87 VAL HB    4.170 .  4.170 3.353 1.879 4.282 0.112 16 0 "[    .    1    .    2]" 1 
        290 1  20 LEU HA   1  90 GLY H     4.230 .  4.230 3.446 2.649 3.880     .  0 0 "[    .    1    .    2]" 1 
        291 1 109 ILE HA   1 112 VAL H     3.980 .  3.980 3.502 2.999 3.952     .  0 0 "[    .    1    .    2]" 1 
        292 1 109 ILE HA   1 111 ALA H     4.420 .  4.420 3.861 3.265 4.311     .  0 0 "[    .    1    .    2]" 1 
        293 1 110 GLU HA   1 113 TYR H     3.950 .  3.950 3.242 2.701 3.816     .  0 0 "[    .    1    .    2]" 1 
        294 1 112 VAL HA   1 115 ALA H     4.380 .  4.380 3.350 3.065 3.608     .  0 0 "[    .    1    .    2]" 1 
        295 1 120 VAL HA   1 123 ASN H     4.940 .  4.940 3.387 2.897 3.882     .  0 0 "[    .    1    .    2]" 1 
        296 1 120 VAL HA   1 125 PHE H     4.510 .  4.510 3.888 3.009 4.495     .  0 0 "[    .    1    .    2]" 1 
        297 1 127 LEU HB2  1 129 GLY H     4.170 .  4.170 4.151 3.688 4.296 0.126  5 0 "[    .    1    .    2]" 1 
        298 1 127 LEU HB3  1 129 GLY H     3.700 .  3.700 3.131 2.279 3.718 0.018  3 0 "[    .    1    .    2]" 1 
        299 1  97 ALA HA   1 155 LEU H     5.500 .  5.500 4.784 2.548 5.657 0.157 20 0 "[    .    1    .    2]" 1 
        300 1  12 LYS H    1  97 ALA H     3.730 .  3.730 3.080 2.575 3.374     .  0 0 "[    .    1    .    2]" 1 
        301 1  21 LEU H    1  88 VAL H     3.700 .  3.700 3.240 3.022 3.527     .  0 0 "[    .    1    .    2]" 1 
        302 1  26 THR H    1  69 PHE H     4.070 .  4.070 3.602 2.804 4.116 0.046 18 0 "[    .    1    .    2]" 1 
        303 1  60 ARG H    1  72 GLU H     4.290 .  4.290 3.102 2.782 3.444     .  0 0 "[    .    1    .    2]" 1 
        304 1  17 VAL H    1  92 THR H     3.520 .  3.520 2.497 2.155 2.957     .  0 0 "[    .    1    .    2]" 1 
        305 1  14 LEU H    1  95 GLY H     4.110 .  4.110 2.850 2.145 3.997     .  0 0 "[    .    1    .    2]" 1 
        306 1  98 ALA H    1 153 LEU H     4.850 .  4.850 3.695 2.948 4.382     .  0 0 "[    .    1    .    2]" 1 
        307 1  10 GLU H    1  99 SER H     3.730 .  3.730 3.322 2.706 3.767 0.037  8 0 "[    .    1    .    2]" 1 
        308 1 104 GLY H    1 147 LEU H     5.040 .  5.040 4.043 2.727 5.123 0.083  2 0 "[    .    1    .    2]" 1 
        309 1  60 ARG HA   1 133 GLU H     4.880 .  4.880 3.441 2.738 3.912     .  0 0 "[    .    1    .    2]" 1 
        310 1  58 PHE HA   1 135 TYR H     4.260 .  4.260 2.876 2.328 3.520     .  0 0 "[    .    1    .    2]" 1 
        311 1 140 ALA H    1 142 THR H     4.420 .  4.420 3.761 3.156 4.556 0.136  5 0 "[    .    1    .    2]" 1 
        312 1  20 LEU H    1  75 PHE H     4.480 .  4.480 3.181 2.731 3.600     .  0 0 "[    .    1    .    2]" 1 
        313 1  49 GLN H    1  51 LYS H     4.260 .  4.260 3.897 3.152 4.304 0.044  4 0 "[    .    1    .    2]" 1 
        314 1  59 ALA H    1 133 GLU H     4.910 .  4.910 3.208 2.745 3.696     .  0 0 "[    .    1    .    2]" 1 
        315 1  61 TYR H    1 131 ALA H     4.760 .  4.760 3.118 2.652 3.460     .  0 0 "[    .    1    .    2]" 1 
        316 1  84 SER H    1  87 VAL H     4.570 .  4.570 3.691 2.913 4.614 0.044 18 0 "[    .    1    .    2]" 1 
        317 1 100 SER H    1 151 VAL H     4.630 .  4.630 3.211 2.911 3.701     .  0 0 "[    .    1    .    2]" 1 
        318 1 102 TYR H    1 149 THR H     5.500 .  5.500 3.044 2.264 4.144     .  0 0 "[    .    1    .    2]" 1 
        319 1 132 TYR H    1 152 SER H     5.130 .  5.130 3.130 2.543 3.652     .  0 0 "[    .    1    .    2]" 1 
        320 1  40 HIS H    1  41 ASP H     3.760 .  3.760 2.605 2.477 2.905     .  0 0 "[    .    1    .    2]" 1 
        321 1  40 HIS HB3  1  41 ASP H     4.690 .  4.690 2.990 2.303 4.096     .  0 0 "[    .    1    .    2]" 1 
        322 1  45 LEU H    1  46 LEU H     3.700 .  3.700 2.578 2.213 2.732     .  0 0 "[    .    1    .    2]" 1 
        323 1  44 GLN H    1  45 LEU H     3.580 .  3.580 2.671 2.456 2.921     .  0 0 "[    .    1    .    2]" 1 
        324 1  25 GLN HG3  1  26 THR H     5.500 .  5.500 4.863 3.891 5.550 0.050  7 0 "[    .    1    .    2]" 1 
        325 1  34 LEU HG   1  35 PHE H     5.500 .  5.500 4.462 2.518 5.296     .  0 0 "[    .    1    .    2]" 1 
        326 1  46 LEU HG   1  47 ALA H     5.500 .  5.500 4.597 3.497 5.255     .  0 0 "[    .    1    .    2]" 1 
        327 1  51 LYS HD2  1  52 SER H     5.500 .  5.500 5.116 3.226 5.582 0.082  3 0 "[    .    1    .    2]" 1 
        328 1  51 LYS HD3  1  52 SER H     5.500 .  5.500 4.626 3.664 5.548 0.048  1 0 "[    .    1    .    2]" 1 
        329 1  53 PRO HG2  1  54 SER H     5.500 .  5.500 5.264 4.560 5.655 0.155  7 0 "[    .    1    .    2]" 1 
        330 1  53 PRO HG3  1  54 SER H     5.500 .  5.500 5.164 4.775 5.558 0.058 11 0 "[    .    1    .    2]" 1 
        331 1  58 PHE QD   1  59 ALA H     7.630 .  7.630 4.153 2.920 4.819     .  0 0 "[    .    1    .    2]" 1 
        332 1  96 LYS HG2  1  97 ALA H     5.500 .  5.500 4.846 3.408 5.323     .  0 0 "[    .    1    .    2]" 1 
        333 1  96 LYS HD2  1  97 ALA H     5.500 .  5.500 4.678 3.777 5.612 0.112  3 0 "[    .    1    .    2]" 1 
        334 1  96 LYS HD3  1  97 ALA H     5.500 .  5.500 4.851 3.955 5.626 0.126  8 0 "[    .    1    .    2]" 1 
        335 1 110 GLU HG2  1 111 ALA H     5.500 .  5.500 4.462 2.428 5.178     .  0 0 "[    .    1    .    2]" 1 
        336 1 110 GLU HG3  1 111 ALA H     5.500 .  5.500 4.386 2.909 5.112     .  0 0 "[    .    1    .    2]" 1 
        337 1 117 MET HG2  1 118 LYS H     5.500 .  5.500 3.897 2.563 4.718     .  0 0 "[    .    1    .    2]" 1 
        338 1 117 MET HG3  1 118 LYS H     5.500 .  5.500 4.048 2.124 4.986     .  0 0 "[    .    1    .    2]" 1 
        339 1 119 TRP HE3  1 120 VAL H     5.500 .  5.500 3.478 2.688 4.634     .  0 0 "[    .    1    .    2]" 1 
        340 1 144 PRO HG2  1 145 ASP H     5.500 .  5.500 4.527 2.325 5.537 0.037  8 0 "[    .    1    .    2]" 1 
        341 1 144 PRO HG3  1 145 ASP H     5.500 .  5.500 4.969 3.829 5.616 0.116  5 0 "[    .    1    .    2]" 1 
        342 1 144 PRO HD2  1 145 ASP H     5.500 .  5.500 4.758 2.477 5.606 0.106 19 0 "[    .    1    .    2]" 1 
        343 1 144 PRO HD3  1 145 ASP H     5.500 .  5.500 5.144 3.737 5.726 0.226 15 0 "[    .    1    .    2]" 1 
        344 1 150 ARG HG2  1 151 VAL H     5.500 .  5.500 4.558 3.686 5.522 0.022 15 0 "[    .    1    .    2]" 1 
        345 1 150 ARG HG3  1 151 VAL H     5.500 .  5.500 4.617 3.384 5.399     .  0 0 "[    .    1    .    2]" 1 
        346 1   4 GLU H    1   4 GLU HG2   5.500 .  5.500 4.013 2.123 5.313     .  0 0 "[    .    1    .    2]" 1 
        347 1   4 GLU H    1   4 GLU HG3   5.500 .  5.500 3.756 1.871 4.968     .  0 0 "[    .    1    .    2]" 1 
        348 1  20 LEU H    1  20 LEU HG    5.500 .  5.500 3.922 2.160 4.778     .  0 0 "[    .    1    .    2]" 1 
        349 1  23 ARG H    1  23 ARG HG2   5.500 .  5.500 2.791 1.832 4.431     .  0 0 "[    .    1    .    2]" 1 
        350 1  23 ARG H    1  23 ARG HG3   5.500 .  5.500 3.216 2.384 4.595     .  0 0 "[    .    1    .    2]" 1 
        351 1  25 GLN H    1  25 GLN HG3   5.500 .  5.500 2.982 1.562 4.016     .  0 0 "[    .    1    .    2]" 1 
        352 1  34 LEU H    1  34 LEU HG    5.500 .  5.500 3.987 2.220 4.532     .  0 0 "[    .    1    .    2]" 1 
        353 1  64 MET H    1  64 MET HG2   5.500 .  5.500 3.121 1.861 4.225     .  0 0 "[    .    1    .    2]" 1 
        354 1  64 MET H    1  64 MET HG3   5.500 .  5.500 3.458 2.167 4.554     .  0 0 "[    .    1    .    2]" 1 
        355 1  70 GLU H    1  70 GLU HG2   5.500 .  5.500 4.168 2.038 4.665     .  0 0 "[    .    1    .    2]" 1 
        356 1  70 GLU H    1  70 GLU HG3   5.500 .  5.500 4.114 2.570 4.670     .  0 0 "[    .    1    .    2]" 1 
        357 1  91 LEU H    1  91 LEU HG    5.500 .  5.500 3.739 2.388 4.666     .  0 0 "[    .    1    .    2]" 1 
        358 1 130 GLU H    1 130 GLU HG2   5.500 .  5.500 3.563 1.955 5.054     .  0 0 "[    .    1    .    2]" 1 
        359 1 130 GLU H    1 130 GLU HG3   5.500 .  5.500 3.769 2.868 4.972     .  0 0 "[    .    1    .    2]" 1 
        360 1 133 GLU H    1 133 GLU HG2   5.500 .  5.500 3.419 1.769 4.393     .  0 0 "[    .    1    .    2]" 1 
        361 1 133 GLU H    1 133 GLU HG3   5.500 .  5.500 3.186 2.494 4.555     .  0 0 "[    .    1    .    2]" 1 
        362 1 136 LEU H    1 136 LEU HG    5.500 .  5.500 3.579 2.285 4.697     .  0 0 "[    .    1    .    2]" 1 
        363 1 150 ARG H    1 150 ARG HG2   5.500 .  5.500 3.421 1.854 4.487     .  0 0 "[    .    1    .    2]" 1 
        364 1 150 ARG H    1 150 ARG HG3   5.500 .  5.500 3.419 1.811 4.786     .  0 0 "[    .    1    .    2]" 1 
        365 1 155 LEU H    1 155 LEU HG    5.500 .  5.500 3.527 2.290 5.031     .  0 0 "[    .    1    .    2]" 1 
        366 1  58 PHE QE   1  75 PHE H     7.630 .  7.630 5.431 3.958 6.801     .  0 0 "[    .    1    .    2]" 1 
        367 1  49 GLN HE21 1  82 GLU H     5.500 .  5.500 4.120 2.683 5.434     .  0 0 "[    .    1    .    2]" 1 
        368 1  49 GLN HE22 1  82 GLU HB3   7.230 .  7.230 4.890 2.946 6.728     .  0 0 "[    .    1    .    2]" 1 
        369 1  49 GLN HE21 1  82 GLU HB2   7.230 .  7.230 5.244 3.472 7.115     .  0 0 "[    .    1    .    2]" 1 
        370 1  49 GLN HE21 1  82 GLU HB3   7.230 .  7.230 5.583 3.480 7.228     .  0 0 "[    .    1    .    2]" 1 
        371 1  49 GLN HE22 1  82 GLU H     5.500 .  5.500 3.430 2.424 5.312     .  0 0 "[    .    1    .    2]" 1 
        372 1 123 ASN H    1 123 ASN HD21  5.500 .  5.500 3.443 2.329 4.861     .  0 0 "[    .    1    .    2]" 1 
        373 1 123 ASN H    1 123 ASN HD22  5.500 .  5.500 4.698 3.560 5.627 0.127  2 0 "[    .    1    .    2]" 1 
        374 1 119 TRP HE1  1 123 ASN HD21  5.500 .  5.500 4.487 3.600 5.670 0.170  1 0 "[    .    1    .    2]" 1 
        375 1 119 TRP HE1  1 123 ASN HD22  5.500 .  5.500 4.512 2.642 5.590 0.090  8 0 "[    .    1    .    2]" 1 
        376 1   8 VAL MG2  1   9 CYS H     6.520 .  6.520 3.376 2.494 4.246     .  0 0 "[    .    1    .    2]" 1 
        377 1  22 ILE MD   1  23 ARG H     6.520 .  6.520 4.076 1.918 5.280     .  0 0 "[    .    1    .    2]" 1 
        378 1  34 LEU MD2  1  35 PHE H     6.520 .  6.520 4.295 3.353 4.695     .  0 0 "[    .    1    .    2]" 1 
        379 1  46 LEU MD1  1  47 ALA H     6.520 .  6.520 4.459 3.026 4.758     .  0 0 "[    .    1    .    2]" 1 
        380 1  46 LEU MD2  1  47 ALA H     6.520 .  6.520 4.083 3.130 4.639     .  0 0 "[    .    1    .    2]" 1 
        381 1  91 LEU MD1  1  92 THR H     6.490 .  6.490 4.094 2.333 4.708     .  0 0 "[    .    1    .    2]" 1 
        382 1 101 LEU MD1  1 102 TYR H     6.520 .  6.520 4.478 3.156 5.448     .  0 0 "[    .    1    .    2]" 1 
        383 1 109 ILE MG   1 110 GLU H     6.050 .  6.050 2.791 2.388 3.979     .  0 0 "[    .    1    .    2]" 1 
        384 1 117 MET ME   1 118 LYS H     6.520 .  6.520 4.254 3.114 5.171     .  0 0 "[    .    1    .    2]" 1 
        385 1 127 LEU MD1  1 128 SER H     6.520 .  6.520 4.177 2.365 5.124     .  0 0 "[    .    1    .    2]" 1 
        386 1 142 THR MG   1 143 ALA H     6.180 .  6.180 3.042 1.547 4.389     .  0 0 "[    .    1    .    2]" 1 
        387 1 147 LEU MD2  1 148 ARG H     6.520 .  6.520 3.947 1.767 5.464     .  0 0 "[    .    1    .    2]" 1 
        388 1 151 VAL MG1  1 152 SER H     6.520 .  6.520 4.012 3.681 4.204     .  0 0 "[    .    1    .    2]" 1 
        389 1 155 LEU MD2  1 156 HIS H     6.520 .  6.520 4.083 2.506 4.774     .  0 0 "[    .    1    .    2]" 1 
        390 1 154 MET H    1 154 MET ME    6.520 .  6.520 3.904 2.052 5.690     .  0 0 "[    .    1    .    2]" 1 
        391 1  10 GLU H    1  98 ALA MB    6.520 .  6.520 4.698 4.029 5.218     .  0 0 "[    .    1    .    2]" 1 
        392 1  10 GLU H    1 116 LEU MD2   6.520 .  6.520 4.589 3.474 5.432     .  0 0 "[    .    1    .    2]" 1 
        393 1  17 VAL H    1  91 LEU MD2   6.520 .  6.520 4.542 3.404 5.532     .  0 0 "[    .    1    .    2]" 1 
        394 1  46 LEU MD1  1  51 LYS H     6.520 .  6.520 4.476 3.333 5.492     .  0 0 "[    .    1    .    2]" 1 
        395 1  54 SER H    1  77 VAL MG1   6.520 .  6.520 4.174 3.308 5.109     .  0 0 "[    .    1    .    2]" 1 
        396 1  26 THR MG   1  71 VAL H     6.520 .  6.520 4.400 3.451 5.487     .  0 0 "[    .    1    .    2]" 1 
        397 1  19 ALA MB   1  75 PHE H     6.520 .  6.520 3.400 2.667 3.801     .  0 0 "[    .    1    .    2]" 1 
        398 1  19 ALA MB   1  77 VAL H     6.520 .  6.520 3.800 3.200 4.579     .  0 0 "[    .    1    .    2]" 1 
        399 1  45 LEU MD1  1  83 GLY H     6.520 .  6.520 4.799 3.574 5.306     .  0 0 "[    .    1    .    2]" 1 
        400 1  20 LEU MD2  1  89 THR H     6.520 .  6.520 4.685 2.947 5.476     .  0 0 "[    .    1    .    2]" 1 
        401 1  11 LEU MD2  1  97 ALA H     6.520 .  6.520 4.270 2.264 5.550     .  0 0 "[    .    1    .    2]" 1 
        402 1 126 ASP H    1 155 LEU MD1   6.520 .  6.520 4.144 3.109 5.420     .  0 0 "[    .    1    .    2]" 1 
        403 1 140 ALA H    1 142 THR MG    6.520 .  6.520 4.359 3.310 5.435     .  0 0 "[    .    1    .    2]" 1 
        404 1 140 ALA H    1 147 LEU MD2   6.520 .  6.520 3.793 1.969 5.056     .  0 0 "[    .    1    .    2]" 1 
        405 1 140 ALA MB   1 142 THR H     6.520 .  6.520 4.592 3.756 5.438     .  0 0 "[    .    1    .    2]" 1 
        406 1 142 THR H    1 147 LEU MD2   6.520 .  6.520 4.027 2.709 5.137     .  0 0 "[    .    1    .    2]" 1 
        407 1 143 ALA MB   1 145 ASP H     6.330 .  6.330 4.618 2.623 5.381     .  0 0 "[    .    1    .    2]" 1 
        408 1 134 ILE MG   1 150 ARG H     6.520 .  6.520 3.817 1.881 5.216     .  0 0 "[    .    1    .    2]" 1 
        409 1 116 LEU MD2  1 153 LEU H     6.520 .  6.520 4.104 2.216 5.279     .  0 0 "[    .    1    .    2]" 1 
        410 1  45 LEU MD1  1  49 GLN HE22  6.520 .  6.520 4.069 1.899 5.372     .  0 0 "[    .    1    .    2]" 1 
        411 1  49 GLN HE22 1  81 VAL MG1   8.250 .  8.250 3.427 1.551 5.304     .  0 0 "[    .    1    .    2]" 1 
        412 1  21 LEU H    1  88 VAL MG2   6.520 .  6.520 3.431 2.988 4.093     .  0 0 "[    .    1    .    2]" 1 
        413 1   7 PHE H    1   7 PHE HB3   3.950 .  3.950 3.525 2.677 4.075 0.125  3 0 "[    .    1    .    2]" 1 
        414 1   8 VAL H    1   8 VAL HB    3.240 .  3.240 2.697 2.515 3.198     .  0 0 "[    .    1    .    2]" 1 
        415 1  11 LEU H    1  11 LEU HB2   3.390 .  3.390 2.854 2.469 3.662 0.272 19 0 "[    .    1    .    2]" 1 
        416 1  13 GLU H    1  13 GLU HB2   3.860 .  3.860 3.205 2.507 3.766     .  0 0 "[    .    1    .    2]" 1 
        417 1  13 GLU H    1  13 GLU HB3   3.860 .  3.860 3.079 2.442 3.650     .  0 0 "[    .    1    .    2]" 1 
        418 1  31 LEU H    1  31 LEU HB2   3.520 .  3.520 2.543 2.141 3.601 0.081 15 0 "[    .    1    .    2]" 1 
        419 1  34 LEU H    1  34 LEU HB3   3.920 .  3.920 2.927 2.471 3.596     .  0 0 "[    .    1    .    2]" 1 
        420 1  36 GLU H    1  36 GLU HB2   3.640 .  3.640 2.436 2.101 2.545     .  0 0 "[    .    1    .    2]" 1 
        421 1 103 ILE H    1 103 ILE HB    3.610 .  3.610 2.901 2.504 3.734 0.124 18 0 "[    .    1    .    2]" 1 
        422 1 112 VAL H    1 112 VAL HB    3.420 .  3.420 2.703 2.492 3.631 0.211  2 0 "[    .    1    .    2]" 1 
        423 1 114 ASP H    1 114 ASP HB2   4.010 .  4.010 2.445 2.160 2.712     .  0 0 "[    .    1    .    2]" 1 
        424 1 114 ASP H    1 114 ASP HB3   4.010 .  4.010 2.764 2.389 3.609     .  0 0 "[    .    1    .    2]" 1 
        425 1 118 LYS H    1 118 LYS HB2   3.450 .  3.450 2.649 2.080 3.602 0.152  6 0 "[    .    1    .    2]" 1 
        426 1 138 ASN H    1 138 ASN HB3   3.950 .  3.950 2.951 2.450 3.632     .  0 0 "[    .    1    .    2]" 1 
        427 1   2 ASP HB2  1   3 PHE H     5.500 .  5.500 3.105 1.782 4.501     .  0 0 "[    .    1    .    2]" 1 
        428 1  12 LYS HB2  1  13 GLU H     4.600 .  4.600 3.593 2.191 4.319     .  0 0 "[    .    1    .    2]" 1 
        429 1  12 LYS HB3  1  13 GLU H     4.600 .  4.600 3.229 2.063 4.099     .  0 0 "[    .    1    .    2]" 1 
        430 1  18 PRO HB2  1  19 ALA H     4.140 .  4.140 3.899 3.342 4.132     .  0 0 "[    .    1    .    2]" 1 
        431 1  34 LEU HB3  1  35 PHE H     4.140 .  4.140 2.891 2.282 4.113     .  0 0 "[    .    1    .    2]" 1 
        432 1  36 GLU HB2  1  37 ALA H     4.450 .  4.450 3.233 2.340 3.909     .  0 0 "[    .    1    .    2]" 1 
        433 1  36 GLU HB3  1  37 ALA H     4.450 .  4.450 2.923 2.206 4.016     .  0 0 "[    .    1    .    2]" 1 
        434 1  53 PRO HB3  1  54 SER H     4.070 .  4.070 3.378 2.816 3.747     .  0 0 "[    .    1    .    2]" 1 
        435 1  58 PHE HB3  1  59 ALA H     4.850 .  4.850 3.292 2.168 4.247     .  0 0 "[    .    1    .    2]" 1 
        436 1  69 PHE HB3  1  70 GLU H     4.320 .  4.320 3.954 3.495 4.352 0.032 19 0 "[    .    1    .    2]" 1 
        437 1  77 VAL HB   1  78 GLU H     3.360 .  3.360 2.268 1.810 2.914     .  0 0 "[    .    1    .    2]" 1 
        438 1  78 GLU HB2  1  79 GLY H     4.260 .  4.260 3.509 2.042 3.987     .  0 0 "[    .    1    .    2]" 1 
        439 1  78 GLU HB3  1  79 GLY H     4.260 .  4.260 2.973 2.037 4.279 0.019 10 0 "[    .    1    .    2]" 1 
        440 1  81 VAL HB   1  82 GLU H     3.520 .  3.520 3.603 3.554 3.670 0.150 14 0 "[    .    1    .    2]" 1 
        441 1  82 GLU HB2  1  83 GLY H     4.230 .  4.230 3.745 1.821 4.306 0.076 19 0 "[    .    1    .    2]" 1 
        442 1  82 GLU HB3  1  83 GLY H     4.230 .  4.230 3.204 1.769 4.151     .  0 0 "[    .    1    .    2]" 1 
        443 1  91 LEU HB2  1  92 THR H     5.500 .  5.500 3.425 2.215 4.223     .  0 0 "[    .    1    .    2]" 1 
        444 1  95 GLY HA3  1  96 LYS H     3.450 .  3.450 2.441 2.129 2.881     .  0 0 "[    .    1    .    2]" 1 
        445 1 108 GLU HB2  1 109 ILE H     4.910 .  4.910 4.294 3.505 4.583     .  0 0 "[    .    1    .    2]" 1 
        446 1 108 GLU HB3  1 109 ILE H     4.910 .  4.910 4.282 3.755 4.633     .  0 0 "[    .    1    .    2]" 1 
        447 1 118 LYS HB2  1 119 TRP H     4.380 .  4.380 3.784 2.881 4.108     .  0 0 "[    .    1    .    2]" 1 
        448 1 118 LYS HB3  1 119 TRP H     4.850 .  4.850 2.895 2.277 4.108     .  0 0 "[    .    1    .    2]" 1 
        449 1 122 ASP HB3  1 123 ASN H     4.760 .  4.760 2.718 2.375 3.747     .  0 0 "[    .    1    .    2]" 1 
        450 1 125 PHE HB3  1 126 ASP H     4.510 .  4.510 2.751 2.049 3.621     .  0 0 "[    .    1    .    2]" 1 
        451 1 137 ASP HB2  1 138 ASN H     5.280 .  5.280 3.653 2.281 4.473     .  0 0 "[    .    1    .    2]" 1 
        452 1 144 PRO HB3  1 145 ASP H     4.200 .  4.200 3.684 2.590 4.224 0.024  2 0 "[    .    1    .    2]" 1 
        453 1 156 HIS HB3  1 157 GLU H     5.500 .  5.500 3.563 1.871 4.503     .  0 0 "[    .    1    .    2]" 1 
        454 1  25 GLN HA   1  26 THR HB    5.500 .  5.500 4.603 4.155 5.610 0.110 18 0 "[    .    1    .    2]" 1 
        455 1  33 SER HA   1  36 GLU HB3   5.500 .  5.500 3.728 2.330 5.196     .  0 0 "[    .    1    .    2]" 1 
        456 1  33 SER HA   1  36 GLU HB2   5.500 .  5.500 3.265 2.790 4.147     .  0 0 "[    .    1    .    2]" 1 
        457 1 118 LYS HA   1 121 ASP HB2   4.630 .  4.630 3.810 2.929 4.643 0.013  3 0 "[    .    1    .    2]" 1 
        458 1 118 LYS HA   1 121 ASP HB3   4.630 .  4.630 2.959 2.223 4.180     .  0 0 "[    .    1    .    2]" 1 
        459 1  61 TYR HA   1  71 VAL HA    5.500 .  5.500 2.546 1.987 2.977     .  0 0 "[    .    1    .    2]" 1 
        460 1  18 PRO HA   1  91 LEU HA    5.500 .  5.500 2.846 2.377 3.488     .  0 0 "[    .    1    .    2]" 1 
        461 1 131 ALA HA   1 153 LEU HA    5.500 .  5.500 2.548 1.803 3.024     .  0 0 "[    .    1    .    2]" 1 
        462 1  19 ALA HA   1  77 VAL H     5.500 .  5.500 2.563 1.913 3.428     .  0 0 "[    .    1    .    2]" 1 
        463 1  25 GLN HA   1  71 VAL H     5.500 .  5.500 2.912 2.420 3.372     .  0 0 "[    .    1    .    2]" 1 
        464 1  25 GLN HA   1  70 GLU HA    5.500 .  5.500 2.108 1.425 2.801     .  0 0 "[    .    1    .    2]" 1 
        465 1  28 MET HA   1  30 GLU H     5.500 .  5.500 4.300 3.258 5.577 0.077 15 0 "[    .    1    .    2]" 1 
        466 1  40 HIS HB2  1  41 ASP H     4.690 .  4.690 3.726 2.561 4.169     .  0 0 "[    .    1    .    2]" 1 
        467 1 120 VAL HA   1 124 GLY H     5.500 .  5.500 3.977 3.267 5.206     .  0 0 "[    .    1    .    2]" 1 
        468 1  58 PHE HA   1 134 ILE HA    5.500 .  5.500 2.206 1.865 2.609     .  0 0 "[    .    1    .    2]" 1 
        469 1  45 LEU H    1  45 LEU HB3   3.760 .  3.760 2.641 2.358 3.579     .  0 0 "[    .    1    .    2]" 1 
        470 1  45 LEU H    1  45 LEU HB2   3.760 .  3.760 2.621 2.337 3.658     .  0 0 "[    .    1    .    2]" 1 
        471 1  45 LEU HB2  1  46 LEU H     4.450 .  4.450 3.799 2.444 4.445     .  0 0 "[    .    1    .    2]" 1 
        472 1  45 LEU HB3  1  46 LEU H     4.450 .  4.450 2.904 2.176 4.404     .  0 0 "[    .    1    .    2]" 1 
        473 1  31 LEU HA   1  34 LEU HB2   5.500 .  5.500 3.540 1.984 5.520 0.020 10 0 "[    .    1    .    2]" 1 
        474 1  31 LEU HA   1  34 LEU HB3   5.500 .  5.500 3.661 2.297 5.272     .  0 0 "[    .    1    .    2]" 1 
        475 1 116 LEU HA   1 119 TRP HB2   5.500 .  5.500 3.634 2.207 5.441     .  0 0 "[    .    1    .    2]" 1 
        476 1 116 LEU HA   1 119 TRP HB3   5.500 .  5.500 3.086 2.458 4.108     .  0 0 "[    .    1    .    2]" 1 
        477 1  10 GLU H    1  10 GLU HG2   5.500 .  5.500 3.789 2.233 5.092     .  0 0 "[    .    1    .    2]" 1 
        478 1  10 GLU H    1  10 GLU HG3   5.500 .  5.500 3.675 2.598 4.881     .  0 0 "[    .    1    .    2]" 1 
        479 1  11 LEU H    1  11 LEU HG    5.500 .  5.500 4.181 1.894 4.913     .  0 0 "[    .    1    .    2]" 1 
        480 1  12 LYS H    1  12 LYS HG2   5.500 .  5.500 3.494 2.196 4.911     .  0 0 "[    .    1    .    2]" 1 
        481 1  12 LYS H    1  12 LYS HG3   5.500 .  5.500 3.933 2.657 4.724     .  0 0 "[    .    1    .    2]" 1 
        482 1  13 GLU H    1  13 GLU HG2   5.500 .  5.500 3.199 1.867 4.460     .  0 0 "[    .    1    .    2]" 1 
        483 1  13 GLU H    1  13 GLU HG3   5.500 .  5.500 3.222 1.903 4.601     .  0 0 "[    .    1    .    2]" 1 
        484 1  14 LEU H    1  14 LEU HG    5.500 .  5.500 3.736 2.144 4.900     .  0 0 "[    .    1    .    2]" 1 
        485 1  25 GLN H    1  25 GLN HG2   5.500 .  5.500 2.894 1.795 3.924     .  0 0 "[    .    1    .    2]" 1 
        486 1  28 MET H    1  28 MET HG2   5.500 .  5.500 3.581 1.817 4.946     .  0 0 "[    .    1    .    2]" 1 
        487 1  28 MET H    1  28 MET HG3   5.500 .  5.500 3.559 2.204 4.618     .  0 0 "[    .    1    .    2]" 1 
        488 1  30 GLU H    1  30 GLU HG2   5.500 .  5.500 4.252 3.048 4.687     .  0 0 "[    .    1    .    2]" 1 
        489 1  30 GLU H    1  30 GLU HG3   5.500 .  5.500 4.351 2.202 5.086     .  0 0 "[    .    1    .    2]" 1 
        490 1  36 GLU H    1  36 GLU HG2   5.500 .  5.500 3.898 2.215 4.591     .  0 0 "[    .    1    .    2]" 1 
        491 1  36 GLU H    1  36 GLU HG3   5.500 .  5.500 3.760 2.176 4.581     .  0 0 "[    .    1    .    2]" 1 
        492 1  46 LEU H    1  46 LEU HG    5.220 .  5.220 3.924 2.415 4.598     .  0 0 "[    .    1    .    2]" 1 
        493 1  49 GLN H    1  49 GLN HG2   5.500 .  5.500 4.210 3.396 5.179     .  0 0 "[    .    1    .    2]" 1 
        494 1  49 GLN H    1  49 GLN HG3   5.500 .  5.500 3.767 2.326 4.618     .  0 0 "[    .    1    .    2]" 1 
        495 1  51 LYS H    1  51 LYS HG2   5.500 .  5.500 3.352 2.313 4.224     .  0 0 "[    .    1    .    2]" 1 
        496 1  51 LYS H    1  51 LYS HG3   5.500 .  5.500 3.443 2.899 4.304     .  0 0 "[    .    1    .    2]" 1 
        497 1  51 LYS HA   1  51 LYS HD2   5.500 .  5.500 4.557 2.926 5.523 0.023  8 0 "[    .    1    .    2]" 1 
        498 1  51 LYS HA   1  51 LYS HD3   5.500 .  5.500 4.210 1.963 5.503 0.003  1 0 "[    .    1    .    2]" 1 
        499 1  51 LYS HA   1  51 LYS HE2   5.160 .  5.160 4.604 3.572 5.289 0.129 20 0 "[    .    1    .    2]" 1 
        500 1  51 LYS HB2  1  51 LYS HE2   5.500 .  5.500 3.936 2.867 4.914     .  0 0 "[    .    1    .    2]" 1 
        501 1  51 LYS HB3  1  51 LYS HE2   5.500 .  5.500 3.329 1.829 4.637     .  0 0 "[    .    1    .    2]" 1 
        502 1  51 LYS HA   1  51 LYS HE3   5.160 .  5.160 4.774 3.647 5.270 0.110 17 0 "[    .    1    .    2]" 1 
        503 1  51 LYS HB2  1  51 LYS HE3   5.500 .  5.500 4.078 2.172 5.506 0.006  9 0 "[    .    1    .    2]" 1 
        504 1  51 LYS HB3  1  51 LYS HE3   5.500 .  5.500 3.525 1.807 4.762     .  0 0 "[    .    1    .    2]" 1 
        505 1  78 GLU H    1  78 GLU HG2   5.500 .  5.500 4.083 3.137 4.627     .  0 0 "[    .    1    .    2]" 1 
        506 1  78 GLU H    1  78 GLU HG3   5.500 .  5.500 3.645 1.707 4.628     .  0 0 "[    .    1    .    2]" 1 
        507 1  82 GLU H    1  82 GLU HG2   5.500 .  5.500 3.932 2.027 4.790     .  0 0 "[    .    1    .    2]" 1 
        508 1  82 GLU H    1  82 GLU HG3   5.500 .  5.500 4.140 2.782 4.948     .  0 0 "[    .    1    .    2]" 1 
        509 1  96 LYS H    1  96 LYS HG2   5.500 .  5.500 3.463 2.142 4.666     .  0 0 "[    .    1    .    2]" 1 
        510 1  96 LYS H    1  96 LYS HG3   5.500 .  5.500 3.604 1.681 4.495     .  0 0 "[    .    1    .    2]" 1 
        511 1  96 LYS H    1  96 LYS HD2   5.500 .  5.500 4.048 2.066 5.549 0.049 17 0 "[    .    1    .    2]" 1 
        512 1  96 LYS HA   1  96 LYS HD2   5.500 .  5.500 3.489 2.494 5.506 0.006  3 0 "[    .    1    .    2]" 1 
        513 1  96 LYS H    1  96 LYS HD3   5.500 .  5.500 3.913 2.408 5.322     .  0 0 "[    .    1    .    2]" 1 
        514 1  96 LYS HA   1  96 LYS HD3   5.500 .  5.500 3.508 2.039 5.209     .  0 0 "[    .    1    .    2]" 1 
        515 1  96 LYS HA   1  96 LYS HE2   5.500 .  5.500 4.714 3.683 5.810 0.310  7 0 "[    .    1    .    2]" 1 
        516 1  96 LYS HB2  1  96 LYS HE2   5.500 .  5.500 4.298 1.834 5.508 0.008 13 0 "[    .    1    .    2]" 1 
        517 1  96 LYS HB3  1  96 LYS HE2   5.500 .  5.500 4.322 1.939 5.449     .  0 0 "[    .    1    .    2]" 1 
        518 1  96 LYS HA   1  96 LYS HE3   5.500 .  5.500 5.004 4.353 5.568 0.068  5 0 "[    .    1    .    2]" 1 
        519 1  96 LYS HB2  1  96 LYS HE3   5.500 .  5.500 4.452 2.730 5.504 0.004 18 0 "[    .    1    .    2]" 1 
        520 1  96 LYS HB3  1  96 LYS HE3   5.500 .  5.500 4.438 2.937 5.344     .  0 0 "[    .    1    .    2]" 1 
        521 1 108 GLU H    1 108 GLU HG2   5.500 .  5.500 3.500 1.873 4.628     .  0 0 "[    .    1    .    2]" 1 
        522 1 108 GLU H    1 108 GLU HG3   5.500 .  5.500 3.102 2.376 4.571     .  0 0 "[    .    1    .    2]" 1 
        523 1 116 LEU H    1 116 LEU HG    5.500 .  5.500 3.217 1.988 4.531     .  0 0 "[    .    1    .    2]" 1 
        524 1 117 MET H    1 117 MET HG2   5.500 .  5.500 3.724 2.185 4.611     .  0 0 "[    .    1    .    2]" 1 
        525 1 117 MET H    1 117 MET HG3   5.500 .  5.500 3.939 2.156 4.563     .  0 0 "[    .    1    .    2]" 1 
        526 1 118 LYS H    1 118 LYS HG2   5.500 .  5.500 4.104 2.469 4.643     .  0 0 "[    .    1    .    2]" 1 
        527 1 118 LYS H    1 118 LYS HG3   5.500 .  5.500 4.199 2.259 4.632     .  0 0 "[    .    1    .    2]" 1 
        528 1 118 LYS HA   1 118 LYS HD2   5.500 .  5.500 4.090 2.436 4.793     .  0 0 "[    .    1    .    2]" 1 
        529 1 118 LYS HA   1 118 LYS HD3   5.500 .  5.500 4.076 2.037 5.497     .  0 0 "[    .    1    .    2]" 1 
        530 1 141 GLU H    1 141 GLU HG2   5.500 .  5.500 3.539 2.060 4.714     .  0 0 "[    .    1    .    2]" 1 
        531 1 141 GLU H    1 141 GLU HG3   5.500 .  5.500 4.004 1.959 5.016     .  0 0 "[    .    1    .    2]" 1 
        532 1 146 GLN H    1 146 GLN HG2   5.500 .  5.500 3.920 2.453 4.648     .  0 0 "[    .    1    .    2]" 1 
        533 1 146 GLN H    1 146 GLN HG3   5.500 .  5.500 3.331 1.909 4.750     .  0 0 "[    .    1    .    2]" 1 
        534 1 147 LEU H    1 147 LEU HG    5.500 .  5.500 3.282 1.853 4.617     .  0 0 "[    .    1    .    2]" 1 
        535 1 154 MET H    1 154 MET HG2   5.500 .  5.500 3.558 2.232 4.469     .  0 0 "[    .    1    .    2]" 1 
        536 1 154 MET H    1 154 MET HG3   5.500 .  5.500 3.366 1.953 4.516     .  0 0 "[    .    1    .    2]" 1 
        537 1 157 GLU H    1 157 GLU HG2   5.500 .  5.500 4.188 1.816 5.307     .  0 0 "[    .    1    .    2]" 1 
        538 1 157 GLU H    1 157 GLU HG3   5.500 .  5.500 3.889 2.177 5.184     .  0 0 "[    .    1    .    2]" 1 
        539 1  11 LEU HG   1  12 LYS H     5.500 .  5.500 3.942 2.714 5.212     .  0 0 "[    .    1    .    2]" 1 
        540 1  13 GLU HG2  1  14 LEU H     5.500 .  5.500 4.675 3.282 5.324     .  0 0 "[    .    1    .    2]" 1 
        541 1  13 GLU HG3  1  14 LEU H     5.500 .  5.500 4.400 3.248 5.556 0.056 15 0 "[    .    1    .    2]" 1 
        542 1  23 ARG HG2  1  24 THR H     5.500 .  5.500 4.806 3.357 5.510 0.010 12 0 "[    .    1    .    2]" 1 
        543 1  23 ARG HG3  1  24 THR H     5.500 .  5.500 4.751 2.901 5.519 0.019  2 0 "[    .    1    .    2]" 1 
        544 1  25 GLN HG2  1  26 THR H     5.500 .  5.500 4.766 4.168 5.651 0.151  6 0 "[    .    1    .    2]" 1 
        545 1  36 GLU HG2  1  37 ALA H     5.500 .  5.500 4.511 3.409 5.207     .  0 0 "[    .    1    .    2]" 1 
        546 1  36 GLU HG3  1  37 ALA H     5.500 .  5.500 4.495 3.417 5.305     .  0 0 "[    .    1    .    2]" 1 
        547 1  39 TYR QD   1  40 HIS H     7.630 .  7.630 3.779 3.167 4.513     .  0 0 "[    .    1    .    2]" 1 
        548 1  51 LYS HG2  1  52 SER H     5.500 .  5.500 4.122 2.856 4.931     .  0 0 "[    .    1    .    2]" 1 
        549 1  51 LYS HG3  1  52 SER H     5.500 .  5.500 4.355 3.380 4.928     .  0 0 "[    .    1    .    2]" 1 
        550 1  69 PHE QD   1  70 GLU H     7.630 .  7.630 3.685 2.603 4.364     .  0 0 "[    .    1    .    2]" 1 
        551 1  70 GLU HG2  1  71 VAL H     5.500 .  5.500 4.126 3.318 5.192     .  0 0 "[    .    1    .    2]" 1 
        552 1  70 GLU HG3  1  71 VAL H     5.500 .  5.500 3.545 2.100 5.258     .  0 0 "[    .    1    .    2]" 1 
        553 1  78 GLU HG2  1  79 GLY H     5.500 .  5.500 4.298 3.053 5.037     .  0 0 "[    .    1    .    2]" 1 
        554 1  78 GLU HG3  1  79 GLY H     5.500 .  5.500 4.211 3.162 5.171     .  0 0 "[    .    1    .    2]" 1 
        555 1  82 GLU HG2  1  83 GLY H     5.500 .  5.500 3.715 1.877 5.032     .  0 0 "[    .    1    .    2]" 1 
        556 1  82 GLU HG3  1  83 GLY H     5.500 .  5.500 3.775 2.196 5.476     .  0 0 "[    .    1    .    2]" 1 
        557 1  96 LYS HG3  1  97 ALA H     5.500 .  5.500 4.667 3.154 5.550 0.050 14 0 "[    .    1    .    2]" 1 
        558 1 102 TYR QD   1 103 ILE H     7.630 .  7.630 3.779 3.067 4.524     .  0 0 "[    .    1    .    2]" 1 
        559 1 108 GLU HG2  1 109 ILE H     5.500 .  5.500 4.871 4.241 5.609 0.109 10 0 "[    .    1    .    2]" 1 
        560 1 108 GLU HG3  1 109 ILE H     5.500 .  5.500 4.901 3.918 5.551 0.051  5 0 "[    .    1    .    2]" 1 
        561 1 116 LEU HG   1 117 MET H     5.500 .  5.500 4.616 2.705 5.383     .  0 0 "[    .    1    .    2]" 1 
        562 1 132 TYR QD   1 133 GLU H     7.630 .  7.630 3.931 3.434 4.721     .  0 0 "[    .    1    .    2]" 1 
        563 1 157 GLU HG2  1 158 SER H     5.500 .  5.500 4.038 1.446 5.411     .  0 0 "[    .    1    .    2]" 1 
        564 1 157 GLU HG3  1 158 SER H     5.500 .  5.500 4.095 2.279 4.997     .  0 0 "[    .    1    .    2]" 1 
        565 1   2 ASP HB2  1   3 PHE HB2   6.950 .  6.950 5.437 3.964 6.747     .  0 0 "[    .    1    .    2]" 1 
        566 1   2 ASP HB2  1   3 PHE HB3   6.950 .  6.950 5.702 3.857 7.047 0.097 16 0 "[    .    1    .    2]" 1 
        567 1  22 ILE HG12 1  87 VAL HA    5.500 .  5.500 3.949 2.287 5.325     .  0 0 "[    .    1    .    2]" 1 
        568 1  22 ILE HG13 1  87 VAL HA    5.500 .  5.500 3.614 1.763 5.296     .  0 0 "[    .    1    .    2]" 1 
        569 1  53 PRO HB3  1  75 PHE HB2   7.260 .  7.260 4.109 2.677 5.468     .  0 0 "[    .    1    .    2]" 1 
        570 1  61 TYR QD   1  71 VAL HB    7.630 .  7.630 4.211 3.057 5.358     .  0 0 "[    .    1    .    2]" 1 
        571 1  61 TYR HA   1  71 VAL HB    5.500 .  5.500 4.297 3.508 5.021     .  0 0 "[    .    1    .    2]" 1 
        572 1  53 PRO HB2  1  75 PHE HB2   7.260 .  7.260 5.312 3.617 7.093     .  0 0 "[    .    1    .    2]" 1 
        573 1  16 PRO QB   1  94 SER HB2   6.380 .  6.380 4.785 2.441 5.751     .  0 0 "[    .    1    .    2]" 1 
        574 1  16 PRO QB   1  94 SER HB3   6.380 .  6.380 4.335 3.006 5.662     .  0 0 "[    .    1    .    2]" 1 
        575 1 109 ILE HG12 1 113 TYR QD    7.630 .  7.630 4.428 1.912 6.505     .  0 0 "[    .    1    .    2]" 1 
        576 1  10 GLU HA   1 119 TRP HZ2   5.500 .  5.500 3.881 2.898 5.438     .  0 0 "[    .    1    .    2]" 1 
        577 1 125 PHE HB3  1 155 LEU HG    5.500 .  5.500 4.230 2.569 5.524 0.024 12 0 "[    .    1    .    2]" 1 
        578 1 102 TYR HA   1 149 THR HB    5.500 .  5.500 5.102 4.200 5.805 0.305 15 0 "[    .    1    .    2]" 1 
        579 1  11 LEU HB2  1 119 TRP HH2   5.500 .  5.500 2.265 1.364 4.724     .  0 0 "[    .    1    .    2]" 1 
        580 1  11 LEU HB3  1 119 TRP HH2   5.500 .  5.500 3.171 2.200 3.967     .  0 0 "[    .    1    .    2]" 1 
        581 1  11 LEU HG   1 119 TRP HH2   5.500 .  5.500 3.950 2.474 5.539 0.039 14 0 "[    .    1    .    2]" 1 
        582 1  35 PHE HZ   1  73 PHE QD    7.630 .  7.630 5.048 2.869 6.276     .  0 0 "[    .    1    .    2]" 1 
        583 1  58 PHE HB2  1 132 TYR QE    7.630 .  7.630 4.220 2.468 6.826     .  0 0 "[    .    1    .    2]" 1 
        584 1  69 PHE QD   1  71 VAL HB    7.630 .  7.630 5.319 4.506 6.496     .  0 0 "[    .    1    .    2]" 1 
        585 1   7 PHE QE   1 102 TYR QD    9.760 .  9.760 4.477 2.070 7.770     .  0 0 "[    .    1    .    2]" 1 
        586 1   7 PHE QE   1 102 TYR QE    9.770 .  9.770 4.930 1.929 7.599     .  0 0 "[    .    1    .    2]" 1 
        587 1 109 ILE HG13 1 113 TYR QD    7.630 .  7.630 4.976 3.033 6.190     .  0 0 "[    .    1    .    2]" 1 
        588 1 110 GLU HA   1 113 TYR QD    7.630 .  7.630 2.903 1.208 4.410     .  0 0 "[    .    1    .    2]" 1 
        589 1   7 PHE QD   1 112 VAL HA    7.630 .  7.630 3.694 2.485 5.195     .  0 0 "[    .    1    .    2]" 1 
        590 1 102 TYR QD   1 112 VAL HB    7.630 .  7.630 3.340 1.811 5.275     .  0 0 "[    .    1    .    2]" 1 
        591 1 119 TRP HE3  1 120 VAL HA    5.500 .  5.500 3.149 2.394 4.063     .  0 0 "[    .    1    .    2]" 1 
        592 1 120 VAL HA   1 125 PHE QD    7.630 .  7.630 4.521 2.045 6.399     .  0 0 "[    .    1    .    2]" 1 
        593 1  58 PHE QD   1 132 TYR QE    9.760 .  9.760 3.834 2.059 5.532     .  0 0 "[    .    1    .    2]" 1 
        594 1 135 TYR QE   1 149 THR HB    7.630 .  7.630 5.732 4.529 7.048     .  0 0 "[    .    1    .    2]" 1 
        595 1 102 TYR QD   1 149 THR HB    7.630 .  7.630 3.268 2.175 4.249     .  0 0 "[    .    1    .    2]" 1 
        596 1  11 LEU H    1 119 TRP HZ2   5.500 .  5.500 3.650 2.454 5.105     .  0 0 "[    .    1    .    2]" 1 
        597 1  11 LEU H    1 119 TRP HH2   5.500 .  5.500 3.602 2.575 4.906     .  0 0 "[    .    1    .    2]" 1 
        598 1  12 LYS HG2  1  99 SER QB    6.380 .  6.380 3.621 2.223 5.446     .  0 0 "[    .    1    .    2]" 1 
        599 1  12 LYS HG3  1  99 SER QB    6.380 .  6.380 3.959 1.927 5.290     .  0 0 "[    .    1    .    2]" 1 
        600 1  35 PHE QE   1  73 PHE QE    9.760 .  9.760 4.778 3.562 6.654     .  0 0 "[    .    1    .    2]" 1 
        601 1  45 LEU HB2  1  84 SER HB3   7.260 .  7.260 5.031 3.577 6.399     .  0 0 "[    .    1    .    2]" 1 
        602 1  45 LEU HB3  1  84 SER HB3   7.260 .  7.260 6.007 3.623 7.332 0.072  8 0 "[    .    1    .    2]" 1 
        603 1  17 VAL HB   1  18 PRO HD3   5.500 .  5.500 4.618 4.144 5.287     .  0 0 "[    .    1    .    2]" 1 
        604 1  17 VAL HB   1  18 PRO HD2   5.500 .  5.500 4.197 3.572 5.057     .  0 0 "[    .    1    .    2]" 1 
        605 1  58 PHE HB3  1 132 TYR QE    7.630 .  7.630 4.012 2.032 6.036     .  0 0 "[    .    1    .    2]" 1 
        606 1  11 LEU HB3  1 119 TRP HZ2   5.500 .  5.500 4.134 2.977 5.373     .  0 0 "[    .    1    .    2]" 1 
        607 1 120 VAL HA   1 125 PHE HB2   5.500 .  5.500 4.266 3.151 5.588 0.088 19 0 "[    .    1    .    2]" 1 
        608 1 120 VAL HA   1 125 PHE HB3   5.500 .  5.500 5.059 4.378 5.663 0.163 20 0 "[    .    1    .    2]" 1 
        609 1 134 ILE HB   1 149 THR HA    5.500 .  5.500 5.093 3.857 5.582 0.082  9 0 "[    .    1    .    2]" 1 
        610 1 131 ALA HA   1 153 LEU HB3   5.500 .  5.500 4.741 2.948 5.585 0.085  6 0 "[    .    1    .    2]" 1 
        611 1 131 ALA HA   1 153 LEU HB2   5.500 .  5.500 5.002 3.363 5.661 0.161 20 0 "[    .    1    .    2]" 1 
        612 1  39 TYR HB2  1  75 PHE QE    7.630 .  7.630 5.090 3.548 7.081     .  0 0 "[    .    1    .    2]" 1 
        613 1  39 TYR HB3  1  75 PHE QE    7.630 .  7.630 5.550 3.744 6.404     .  0 0 "[    .    1    .    2]" 1 
        614 1 117 MET H    1 117 MET ME    6.520 .  6.520 4.281 2.880 5.660     .  0 0 "[    .    1    .    2]" 1 
        615 1   8 VAL MG1  1   9 CYS H     6.520 .  6.520 3.581 2.672 4.238     .  0 0 "[    .    1    .    2]" 1 
        616 1  11 LEU MD1  1  12 LYS H     6.520 .  6.520 3.328 2.413 5.212     .  0 0 "[    .    1    .    2]" 1 
        617 1  11 LEU MD2  1  12 LYS H     6.520 .  6.520 3.955 1.982 5.025     .  0 0 "[    .    1    .    2]" 1 
        618 1  14 LEU MD1  1  15 ALA H     6.520 .  6.520 3.792 2.079 5.321     .  0 0 "[    .    1    .    2]" 1 
        619 1  14 LEU MD2  1  15 ALA H     6.520 .  6.520 4.111 3.276 4.839     .  0 0 "[    .    1    .    2]" 1 
        620 1  20 LEU MD1  1  21 LEU H     6.520 .  6.520 3.725 2.284 5.121     .  0 0 "[    .    1    .    2]" 1 
        621 1  20 LEU MD2  1  21 LEU H     6.520 .  6.520 4.081 2.496 5.017     .  0 0 "[    .    1    .    2]" 1 
        622 1  22 ILE MG   1  23 ARG H     6.520 .  6.520 3.227 1.650 4.226     .  0 0 "[    .    1    .    2]" 1 
        623 1  24 THR MG   1  25 GLN H     6.520 .  6.520 3.083 2.037 4.285     .  0 0 "[    .    1    .    2]" 1 
        624 1  26 THR MG   1  27 ALA H     6.520 .  6.520 3.338 2.359 4.281     .  0 0 "[    .    1    .    2]" 1 
        625 1  68 THR MG   1  69 PHE H     6.520 .  6.520 2.621 1.929 3.498     .  0 0 "[    .    1    .    2]" 1 
        626 1  77 VAL MG1  1  78 GLU H     6.520 .  6.520 3.460 1.522 3.748     .  0 0 "[    .    1    .    2]" 1 
        627 1  77 VAL MG2  1  78 GLU H     6.520 .  6.520 3.318 2.775 3.930     .  0 0 "[    .    1    .    2]" 1 
        628 1  81 VAL MG1  1  82 GLU H     6.520 .  6.520 2.031 1.865 2.203     .  0 0 "[    .    1    .    2]" 1 
        629 1  81 VAL MG2  1  82 GLU H     6.520 .  6.520 4.001 3.862 4.070     .  0 0 "[    .    1    .    2]" 1 
        630 1  87 VAL MG1  1  88 VAL H     6.520 .  6.520 3.290 2.362 4.233     .  0 0 "[    .    1    .    2]" 1 
        631 1  87 VAL MG2  1  88 VAL H     6.520 .  6.520 3.758 2.260 4.442     .  0 0 "[    .    1    .    2]" 1 
        632 1  88 VAL MG1  1  89 THR H     6.520 .  6.520 3.635 3.393 3.803     .  0 0 "[    .    1    .    2]" 1 
        633 1  88 VAL MG2  1  89 THR H     6.520 .  6.520 3.569 2.955 3.955     .  0 0 "[    .    1    .    2]" 1 
        634 1  89 THR MG   1  90 GLY H     6.520 .  6.520 3.099 1.980 3.837     .  0 0 "[    .    1    .    2]" 1 
        635 1  91 LEU MD2  1  92 THR H     6.490 .  6.490 4.089 3.040 4.597     .  0 0 "[    .    1    .    2]" 1 
        636 1 101 LEU MD2  1 102 TYR H     6.180 .  6.180 4.417 2.647 5.260     .  0 0 "[    .    1    .    2]" 1 
        637 1 103 ILE MG   1 104 GLY H     6.520 .  6.520 3.124 2.515 3.981     .  0 0 "[    .    1    .    2]" 1 
        638 1 112 VAL MG1  1 113 TYR H     6.520 .  6.520 2.578 2.195 3.779     .  0 0 "[    .    1    .    2]" 1 
        639 1 116 LEU MD2  1 117 MET H     6.520 .  6.520 4.490 3.950 5.010     .  0 0 "[    .    1    .    2]" 1 
        640 1 120 VAL MG1  1 121 ASP H     6.520 .  6.520 2.248 1.954 3.203     .  0 0 "[    .    1    .    2]" 1 
        641 1 120 VAL MG2  1 121 ASP H     6.520 .  6.520 3.702 3.473 4.041     .  0 0 "[    .    1    .    2]" 1 
        642 1 127 LEU MD2  1 128 SER H     6.520 .  6.520 4.210 2.978 5.033     .  0 0 "[    .    1    .    2]" 1 
        643 1 134 ILE MG   1 135 TYR H     6.520 .  6.520 3.339 2.568 4.099     .  0 0 "[    .    1    .    2]" 1 
        644 1 134 ILE MD   1 135 TYR H     6.520 .  6.520 4.719 3.703 5.365     .  0 0 "[    .    1    .    2]" 1 
        645 1 147 LEU MD1  1 148 ARG H     6.520 .  6.520 4.258 2.282 5.525     .  0 0 "[    .    1    .    2]" 1 
        646 1 149 THR MG   1 150 ARG H     6.520 .  6.520 2.954 2.375 3.349     .  0 0 "[    .    1    .    2]" 1 
        647 1 151 VAL MG2  1 152 SER H     6.520 .  6.520 2.684 2.252 2.993     .  0 0 "[    .    1    .    2]" 1 
        648 1 154 MET ME   1 155 LEU H     6.520 .  6.520 4.961 2.754 5.512     .  0 0 "[    .    1    .    2]" 1 
        649 1 155 LEU MD1  1 156 HIS H     6.520 .  6.520 4.245 1.710 5.485     .  0 0 "[    .    1    .    2]" 1 
        650 1  11 LEU MD1  1  12 LYS HA    6.520 .  6.520 4.380 2.976 5.610     .  0 0 "[    .    1    .    2]" 1 
        651 1  11 LEU MD2  1  12 LYS HA    6.520 .  6.520 4.759 2.990 5.552     .  0 0 "[    .    1    .    2]" 1 
        652 1  12 LYS HB2  1  14 LEU MD1   9.610 .  9.610 5.590 4.077 8.024     .  0 0 "[    .    1    .    2]" 1 
        653 1  12 LYS HB3  1  14 LEU MD1   9.610 .  9.610 5.509 3.473 7.335     .  0 0 "[    .    1    .    2]" 1 
        654 1  98 ALA MB   1 116 LEU MD1   7.540 .  7.540 3.221 1.558 4.890     .  0 0 "[    .    1    .    2]" 1 
        655 1 100 SER HB3  1 116 LEU MD2   6.520 .  6.520 3.193 2.328 5.397     .  0 0 "[    .    1    .    2]" 1 
        656 1 100 SER HB2  1 116 LEU MD2   6.520 .  6.520 2.731 1.785 4.876     .  0 0 "[    .    1    .    2]" 1 
        657 1   9 CYS HA   1 116 LEU MD2   6.520 .  6.520 3.940 2.662 5.351     .  0 0 "[    .    1    .    2]" 1 
        658 1  22 ILE MG   1  24 THR HA    6.520 .  6.520 4.644 3.398 5.360     .  0 0 "[    .    1    .    2]" 1 
        659 1  22 ILE MG   1  86 ARG HD2   6.520 .  6.520 4.203 2.345 5.458     .  0 0 "[    .    1    .    2]" 1 
        660 1  22 ILE MG   1  86 ARG HD3   6.520 .  6.520 4.351 3.186 5.462     .  0 0 "[    .    1    .    2]" 1 
        661 1  22 ILE HG12 1  87 VAL MG2   9.620 .  9.620 3.711 2.020 5.568     .  0 0 "[    .    1    .    2]" 1 
        662 1  22 ILE HG13 1  87 VAL MG2   9.620 .  9.620 3.577 2.010 5.156     .  0 0 "[    .    1    .    2]" 1 
        663 1  24 THR HB   1  34 LEU MD1   6.520 .  6.520 3.934 2.421 4.967     .  0 0 "[    .    1    .    2]" 1 
        664 1  24 THR MG   1  71 VAL HB    6.520 .  6.520 4.965 3.792 5.537     .  0 0 "[    .    1    .    2]" 1 
        665 1  24 THR MG   1  34 LEU HG    6.520 .  6.520 3.347 2.191 4.421     .  0 0 "[    .    1    .    2]" 1 
        666 1  24 THR MG   1  34 LEU MD2   7.540 .  7.540 2.571 1.564 4.192     .  0 0 "[    .    1    .    2]" 1 
        667 1  22 ILE MG   1  24 THR MG    7.540 .  7.540 3.796 1.896 4.724     .  0 0 "[    .    1    .    2]" 1 
        668 1  25 GLN HG2  1  68 THR MG    6.520 .  6.520 4.076 2.278 5.270     .  0 0 "[    .    1    .    2]" 1 
        669 1  24 THR MG   1  26 THR HB    6.520 .  6.520 4.140 3.150 5.375     .  0 0 "[    .    1    .    2]" 1 
        670 1  25 GLN HA   1  26 THR MG    6.520 .  6.520 3.844 3.377 5.360     .  0 0 "[    .    1    .    2]" 1 
        671 1 109 ILE HA   1 112 VAL MG1   6.520 .  6.520 2.982 2.126 4.270     .  0 0 "[    .    1    .    2]" 1 
        672 1  26 THR HB   1  34 LEU MD2   6.520 .  6.520 3.866 1.688 5.439     .  0 0 "[    .    1    .    2]" 1 
        673 1  26 THR HB   1  34 LEU MD1   6.520 .  6.520 4.093 1.970 5.366     .  0 0 "[    .    1    .    2]" 1 
        674 1  34 LEU HA   1  37 ALA MB    6.520 .  6.520 3.243 2.489 4.026     .  0 0 "[    .    1    .    2]" 1 
        675 1  46 LEU MD2  1  77 VAL HB    6.520 .  6.520 4.821 2.254 5.328     .  0 0 "[    .    1    .    2]" 1 
        676 1  46 LEU MD2  1  53 PRO HA    6.520 .  6.520 4.608 2.932 5.410     .  0 0 "[    .    1    .    2]" 1 
        677 1  46 LEU MD2  1  52 SER HA    6.520 .  6.520 4.515 2.527 5.485     .  0 0 "[    .    1    .    2]" 1 
        678 1  46 LEU MD1  1  52 SER HA    6.520 .  6.520 3.393 1.888 5.304     .  0 0 "[    .    1    .    2]" 1 
        679 1  46 LEU MD1  1  51 LYS HB2   6.520 .  6.520 3.564 2.059 5.031     .  0 0 "[    .    1    .    2]" 1 
        680 1  46 LEU MD1  1  51 LYS HB3   6.520 .  6.520 4.126 2.695 5.223     .  0 0 "[    .    1    .    2]" 1 
        681 1  51 LYS HD2  1  81 VAL MG2   8.170 .  8.170 3.360 1.969 6.073     .  0 0 "[    .    1    .    2]" 1 
        682 1  51 LYS HD3  1  81 VAL MG1   8.170 .  8.170 4.597 2.866 6.747     .  0 0 "[    .    1    .    2]" 1 
        683 1  51 LYS HE3  1  81 VAL MG2   8.280 .  8.280 4.219 2.970 5.897     .  0 0 "[    .    1    .    2]" 1 
        684 1  51 LYS HE2  1  81 VAL MG2   8.280 .  8.280 4.088 2.434 5.109     .  0 0 "[    .    1    .    2]" 1 
        685 1  58 PHE QD   1 134 ILE MG    8.650 .  8.650 3.164 1.674 5.682     .  0 0 "[    .    1    .    2]" 1 
        686 1  25 GLN HG3  1  68 THR MG    6.520 .  6.520 4.061 2.836 5.339     .  0 0 "[    .    1    .    2]" 1 
        687 1  25 GLN QB   1  68 THR MG    7.400 .  7.400 2.486 1.835 3.330     .  0 0 "[    .    1    .    2]" 1 
        688 1  76 PRO HA   1  77 VAL MG1   6.520 .  6.520 3.707 3.412 5.296     .  0 0 "[    .    1    .    2]" 1 
        689 1  76 PRO HA   1  77 VAL MG2   6.520 .  6.520 3.613 3.093 3.861     .  0 0 "[    .    1    .    2]" 1 
        690 1  18 PRO HB2  1  77 VAL MG2   6.520 .  6.520 2.839 1.945 4.267     .  0 0 "[    .    1    .    2]" 1 
        691 1  18 PRO HB3  1  77 VAL MG2   6.520 .  6.520 3.868 2.905 5.393     .  0 0 "[    .    1    .    2]" 1 
        692 1  20 LEU HG   1  77 VAL MG2   6.520 .  6.520 4.343 2.790 5.364     .  0 0 "[    .    1    .    2]" 1 
        693 1  19 ALA MB   1  77 VAL MG2   7.540 .  7.540 4.024 3.357 4.997     .  0 0 "[    .    1    .    2]" 1 
        694 1  77 VAL MG1  1  81 VAL HB    6.520 .  6.520 2.985 1.745 4.231     .  0 0 "[    .    1    .    2]" 1 
        695 1  54 SER QB   1  77 VAL MG1   7.400 .  7.400 4.791 3.370 5.521     .  0 0 "[    .    1    .    2]" 1 
        696 1  53 PRO HA   1  77 VAL MG1   5.870 .  5.870 3.421 2.218 4.675     .  0 0 "[    .    1    .    2]" 1 
        697 1  46 LEU MD2  1  77 VAL MG1   7.540 .  7.540 3.119 2.209 4.138     .  0 0 "[    .    1    .    2]" 1 
        698 1  77 VAL MG2  1  81 VAL HB    6.020 .  6.020 2.687 1.608 3.528     .  0 0 "[    .    1    .    2]" 1 
        699 1  51 LYS HE2  1  81 VAL MG1   8.280 .  8.280 5.573 4.278 6.807     .  0 0 "[    .    1    .    2]" 1 
        700 1  49 GLN HB2  1  81 VAL MG1   9.620 .  9.620 4.401 3.555 5.476     .  0 0 "[    .    1    .    2]" 1 
        701 1  49 GLN HB3  1  81 VAL MG1   9.620 .  9.620 4.545 3.463 5.918     .  0 0 "[    .    1    .    2]" 1 
        702 1  20 LEU MD1  1  83 GLY HA2   8.280 .  8.280 3.514 1.736 4.739     .  0 0 "[    .    1    .    2]" 1 
        703 1  20 LEU MD2  1  83 GLY HA2   8.280 .  8.280 3.459 2.260 5.089     .  0 0 "[    .    1    .    2]" 1 
        704 1  20 LEU MD2  1  83 GLY HA3   8.280 .  8.280 4.249 2.906 6.383     .  0 0 "[    .    1    .    2]" 1 
        705 1  22 ILE MD   1  87 VAL HA    6.520 .  6.520 3.185 1.746 4.411     .  0 0 "[    .    1    .    2]" 1 
        706 1  87 VAL HA   1  88 VAL MG2   6.520 .  6.520 3.689 3.523 3.843     .  0 0 "[    .    1    .    2]" 1 
        707 1  20 LEU HA   1  88 VAL MG2   6.520 .  6.520 4.643 4.275 5.199     .  0 0 "[    .    1    .    2]" 1 
        708 1  82 GLU HA   1  89 THR MG    6.120 .  6.120 3.384 2.092 4.841     .  0 0 "[    .    1    .    2]" 1 
        709 1  83 GLY HA2  1  89 THR MG    6.520 .  6.520 4.429 3.051 5.382     .  0 0 "[    .    1    .    2]" 1 
        710 1  83 GLY HA3  1  89 THR MG    6.520 .  6.520 4.047 2.858 5.375     .  0 0 "[    .    1    .    2]" 1 
        711 1  20 LEU HA   1  89 THR MG    6.520 .  6.520 3.862 2.700 4.917     .  0 0 "[    .    1    .    2]" 1 
        712 1  18 PRO HD3  1  91 LEU MD2   9.610 .  9.610 4.606 3.313 6.560     .  0 0 "[    .    1    .    2]" 1 
        713 1  97 ALA MB   1  98 ALA HA    6.520 .  6.520 4.256 4.136 4.371     .  0 0 "[    .    1    .    2]" 1 
        714 1  97 ALA MB   1 152 SER HB3   6.520 .  6.520 3.233 1.732 4.332     .  0 0 "[    .    1    .    2]" 1 
        715 1  97 ALA MB   1  99 SER QB    7.400 .  7.400 4.123 3.630 4.890     .  0 0 "[    .    1    .    2]" 1 
        716 1  97 ALA HA   1  98 ALA MB    6.520 .  6.520 4.038 3.981 4.148     .  0 0 "[    .    1    .    2]" 1 
        717 1  98 ALA MB   1 116 LEU MD2   7.540 .  7.540 2.988 1.664 4.632     .  0 0 "[    .    1    .    2]" 1 
        718 1 116 LEU MD2  1 152 SER HA    6.520 .  6.520 4.238 2.657 5.214     .  0 0 "[    .    1    .    2]" 1 
        719 1 100 SER HB2  1 116 LEU MD1   6.520 .  6.520 3.729 2.092 5.199     .  0 0 "[    .    1    .    2]" 1 
        720 1 101 LEU MD2  1 148 ARG HB2   6.520 .  6.520 3.694 1.993 5.319     .  0 0 "[    .    1    .    2]" 1 
        721 1 101 LEU MD2  1 148 ARG HB3   6.520 .  6.520 3.760 2.134 5.097     .  0 0 "[    .    1    .    2]" 1 
        722 1 102 TYR HB2  1 112 VAL MG1   6.520 .  6.520 3.445 2.363 5.269     .  0 0 "[    .    1    .    2]" 1 
        723 1 109 ILE MG   1 110 GLU HA    6.520 .  6.520 3.333 3.054 4.103     .  0 0 "[    .    1    .    2]" 1 
        724 1 109 ILE MD   1 151 VAL HA    6.520 .  6.520 4.886 4.273 5.443     .  0 0 "[    .    1    .    2]" 1 
        725 1 109 ILE MD   1 112 VAL MG2   7.540 .  7.540 4.582 3.232 5.135     .  0 0 "[    .    1    .    2]" 1 
        726 1 109 ILE MD   1 151 VAL MG2   7.540 .  7.540 2.736 1.587 3.582     .  0 0 "[    .    1    .    2]" 1 
        727 1 102 TYR HB3  1 112 VAL MG1   6.520 .  6.520 4.146 1.936 5.267     .  0 0 "[    .    1    .    2]" 1 
        728 1 109 ILE HB   1 112 VAL MG1   6.520 .  6.520 4.586 3.862 5.404     .  0 0 "[    .    1    .    2]" 1 
        729 1 100 SER HB3  1 112 VAL MG2   6.520 .  6.520 3.134 1.980 5.033     .  0 0 "[    .    1    .    2]" 1 
        730 1 100 SER HB2  1 112 VAL MG2   6.520 .  6.520 3.318 1.427 5.401     .  0 0 "[    .    1    .    2]" 1 
        731 1 120 VAL MG2  1 125 PHE HB3   6.080 .  6.080 3.274 2.045 4.977     .  0 0 "[    .    1    .    2]" 1 
        732 1 120 VAL MG2  1 125 PHE HB2   6.520 .  6.520 2.993 1.505 4.711     .  0 0 "[    .    1    .    2]" 1 
        733 1  61 TYR HB2  1 131 ALA MB    6.520 .  6.520 3.102 1.320 4.868     .  0 0 "[    .    1    .    2]" 1 
        734 1 131 ALA MB   1 153 LEU HA    6.520 .  6.520 2.962 2.071 4.045     .  0 0 "[    .    1    .    2]" 1 
        735 1 134 ILE MD   1 150 ARG QB    7.400 .  7.400 3.235 1.659 5.300     .  0 0 "[    .    1    .    2]" 1 
        736 1 137 ASP HB3  1 142 THR MG    6.520 .  6.520 3.037 1.424 5.573     .  0 0 "[    .    1    .    2]" 1 
        737 1 137 ASP HB3  1 147 LEU MD2   6.520 .  6.520 4.429 3.297 5.459     .  0 0 "[    .    1    .    2]" 1 
        738 1 139 PRO HB2  1 147 LEU MD2   6.360 .  6.360 4.323 3.319 5.211     .  0 0 "[    .    1    .    2]" 1 
        739 1 143 ALA MB   1 147 LEU MD2   7.540 .  7.540 4.402 2.552 5.177     .  0 0 "[    .    1    .    2]" 1 
        740 1 142 THR MG   1 147 LEU HG    6.520 .  6.520 4.255 3.258 5.445     .  0 0 "[    .    1    .    2]" 1 
        741 1 137 ASP HB2  1 142 THR MG    6.520 .  6.520 3.318 1.797 5.288     .  0 0 "[    .    1    .    2]" 1 
        742 1 142 THR MG   1 147 LEU HA    6.520 .  6.520 3.882 2.484 5.367     .  0 0 "[    .    1    .    2]" 1 
        743 1 142 THR HA   1 143 ALA MB    6.520 .  6.520 4.103 3.897 4.492     .  0 0 "[    .    1    .    2]" 1 
        744 1 103 ILE MG   1 146 GLN HA    6.520 .  6.520 3.660 2.144 5.228     .  0 0 "[    .    1    .    2]" 1 
        745 1 144 PRO HA   1 147 LEU MD2   6.520 .  6.520 3.618 1.947 5.369     .  0 0 "[    .    1    .    2]" 1 
        746 1 139 PRO HA   1 147 LEU MD2   6.050 .  6.050 2.531 1.415 4.884     .  0 0 "[    .    1    .    2]" 1 
        747 1 137 ASP HB2  1 147 LEU MD2   6.520 .  6.520 4.339 2.000 5.489     .  0 0 "[    .    1    .    2]" 1 
        748 1 139 PRO HB3  1 147 LEU MD2   6.520 .  6.520 3.255 2.222 4.440     .  0 0 "[    .    1    .    2]" 1 
        749 1 109 ILE MD   1 149 THR HB    6.520 .  6.520 4.711 3.513 5.506     .  0 0 "[    .    1    .    2]" 1 
        750 1 109 ILE MD   1 149 THR MG    7.540 .  7.540 3.589 2.744 4.452     .  0 0 "[    .    1    .    2]" 1 
        751 1 142 THR MG   1 147 LEU MD2   7.540 .  7.540 2.381 1.644 3.710     .  0 0 "[    .    1    .    2]" 1 
        752 1 134 ILE MG   1 150 ARG QB    7.400 .  7.400 3.675 2.337 5.544     .  0 0 "[    .    1    .    2]" 1 
        753 1 112 VAL MG1  1 151 VAL HB    6.520 .  6.520 4.074 3.192 5.333     .  0 0 "[    .    1    .    2]" 1 
        754 1 112 VAL MG2  1 151 VAL HB    6.520 .  6.520 4.798 4.047 5.360     .  0 0 "[    .    1    .    2]" 1 
        755 1 112 VAL MG2  1 151 VAL MG2   7.540 .  7.540 4.380 2.847 5.090     .  0 0 "[    .    1    .    2]" 1 
        756 1 112 VAL MG1  1 151 VAL MG2   7.540 .  7.540 3.614 2.473 5.052     .  0 0 "[    .    1    .    2]" 1 
        757 1 131 ALA MB   1 151 VAL MG2   7.540 .  7.540 3.534 2.243 4.701     .  0 0 "[    .    1    .    2]" 1 
        758 1 125 PHE HB2  1 155 LEU MD1   6.520 .  6.520 3.123 2.192 4.564     .  0 0 "[    .    1    .    2]" 1 
        759 1 125 PHE HB3  1 155 LEU MD1   6.520 .  6.520 2.704 1.657 5.456     .  0 0 "[    .    1    .    2]" 1 
        760 1  11 LEU MD1  1 119 TRP HH2   6.520 .  6.520 3.379 1.828 4.853     .  0 0 "[    .    1    .    2]" 1 
        761 1  11 LEU MD2  1 119 TRP HH2   6.210 .  6.210 3.098 1.675 4.467     .  0 0 "[    .    1    .    2]" 1 
        762 1  11 LEU MD2  1 119 TRP HZ3   6.520 .  6.520 4.012 2.351 5.492     .  0 0 "[    .    1    .    2]" 1 
        763 1  14 LEU MD1  1 132 TYR QE    8.650 .  8.650 3.558 2.124 5.810     .  0 0 "[    .    1    .    2]" 1 
        764 1  14 LEU MD2  1 132 TYR QE    8.650 .  8.650 3.537 1.911 5.973     .  0 0 "[    .    1    .    2]" 1 
        765 1  19 ALA MB   1  58 PHE QE    8.650 .  8.650 3.306 1.922 5.514     .  0 0 "[    .    1    .    2]" 1 
        766 1  20 LEU MD1  1  89 THR H     6.520 .  6.520 4.509 3.007 5.460     .  0 0 "[    .    1    .    2]" 1 
        767 1 100 SER H    1 116 LEU MD2   6.520 .  6.520 3.418 2.398 4.897     .  0 0 "[    .    1    .    2]" 1 
        768 1  99 SER H    1 116 LEU MD2   6.520 .  6.520 4.360 3.030 5.357     .  0 0 "[    .    1    .    2]" 1 
        769 1  99 SER HA   1 116 LEU MD2   6.520 .  6.520 3.665 2.658 4.684     .  0 0 "[    .    1    .    2]" 1 
        770 1  27 ALA MB   1  30 GLU H     6.520 .  6.520 4.120 2.668 5.360     .  0 0 "[    .    1    .    2]" 1 
        771 1  27 ALA MB   1  29 SER H     6.520 .  6.520 4.070 2.648 5.514     .  0 0 "[    .    1    .    2]" 1 
        772 1  31 LEU MD1  1  61 TYR QE    8.650 .  8.650 4.250 1.760 5.985     .  0 0 "[    .    1    .    2]" 1 
        773 1  31 LEU MD1  1  35 PHE QE    8.650 .  8.650 3.177 1.878 4.566     .  0 0 "[    .    1    .    2]" 1 
        774 1  31 LEU MD1  1  35 PHE HZ    6.520 .  6.520 4.025 2.621 5.385     .  0 0 "[    .    1    .    2]" 1 
        775 1  31 LEU MD2  1  35 PHE HZ    6.520 .  6.520 3.909 2.352 5.494     .  0 0 "[    .    1    .    2]" 1 
        776 1  31 LEU MD2  1  35 PHE QE    8.650 .  8.650 2.928 1.744 5.088     .  0 0 "[    .    1    .    2]" 1 
        777 1  31 LEU MD2  1  61 TYR QE    8.650 .  8.650 4.111 1.755 6.148     .  0 0 "[    .    1    .    2]" 1 
        778 1  46 LEU MD1  1  52 SER H     6.520 .  6.520 4.124 3.203 5.151     .  0 0 "[    .    1    .    2]" 1 
        779 1  35 PHE HZ   1  59 ALA MB    6.520 .  6.520 3.238 1.945 4.965     .  0 0 "[    .    1    .    2]" 1 
        780 1  59 ALA MB   1 135 TYR QE    8.650 .  8.650 2.619 1.729 5.845     .  0 0 "[    .    1    .    2]" 1 
        781 1  26 THR H    1  68 THR MG    6.520 .  6.520 3.817 2.782 5.104     .  0 0 "[    .    1    .    2]" 1 
        782 1   7 PHE QD   1 115 ALA MB    8.650 .  8.650 3.466 2.285 5.233     .  0 0 "[    .    1    .    2]" 1 
        783 1  20 LEU H    1  77 VAL MG1   6.520 .  6.520 2.941 2.310 5.012     .  0 0 "[    .    1    .    2]" 1 
        784 1  20 LEU H    1  77 VAL MG2   6.520 .  6.520 3.578 2.684 4.798     .  0 0 "[    .    1    .    2]" 1 
        785 1  19 ALA HA   1  77 VAL MG2   6.520 .  6.520 2.649 1.756 3.872     .  0 0 "[    .    1    .    2]" 1 
        786 1  19 ALA HA   1  77 VAL MG1   6.520 .  6.520 3.242 2.236 5.142     .  0 0 "[    .    1    .    2]" 1 
        787 1  79 GLY H    1  81 VAL MG2   6.520 .  6.520 2.591 1.851 3.445     .  0 0 "[    .    1    .    2]" 1 
        788 1  78 GLU H    1  81 VAL MG2   6.520 .  6.520 3.117 2.194 3.516     .  0 0 "[    .    1    .    2]" 1 
        789 1  49 GLN HE21 1  81 VAL MG2   8.250 .  8.250 5.047 3.372 6.651     .  0 0 "[    .    1    .    2]" 1 
        790 1  79 GLY H    1  81 VAL MG1   6.520 .  6.520 5.178 4.618 5.553     .  0 0 "[    .    1    .    2]" 1 
        791 1  78 GLU H    1  81 VAL MG1   6.520 .  6.520 5.155 4.070 5.478     .  0 0 "[    .    1    .    2]" 1 
        792 1  49 GLN HE21 1  81 VAL MG1   8.250 .  8.250 3.695 1.692 4.940     .  0 0 "[    .    1    .    2]" 1 
        793 1  84 SER H    1  87 VAL MG1   6.520 .  6.520 3.231 1.343 4.618     .  0 0 "[    .    1    .    2]" 1 
        794 1  84 SER H    1  87 VAL MG2   6.520 .  6.520 4.169 3.424 4.982     .  0 0 "[    .    1    .    2]" 1 
        795 1  83 GLY H    1  89 THR MG    5.870 .  5.870 3.630 2.009 4.924     .  0 0 "[    .    1    .    2]" 1 
        796 1  17 VAL H    1  91 LEU MD1   6.520 .  6.520 4.648 3.127 5.548     .  0 0 "[    .    1    .    2]" 1 
        797 1  97 ALA MB   1 152 SER HA    6.520 .  6.520 4.232 3.396 4.632     .  0 0 "[    .    1    .    2]" 1 
        798 1  97 ALA MB   1 153 LEU H     6.520 .  6.520 3.803 2.802 4.469     .  0 0 "[    .    1    .    2]" 1 
        799 1  98 ALA MB   1 153 LEU H     6.520 .  6.520 3.261 2.881 3.581     .  0 0 "[    .    1    .    2]" 1 
        800 1  98 ALA MB   1 119 TRP HE3   6.520 .  6.520 3.453 2.558 5.470     .  0 0 "[    .    1    .    2]" 1 
        801 1  98 ALA MB   1 119 TRP HZ3   6.520 .  6.520 3.125 1.997 5.380     .  0 0 "[    .    1    .    2]" 1 
        802 1 101 LEU MD2  1 149 THR H     6.520 .  6.520 4.839 2.641 5.401     .  0 0 "[    .    1    .    2]" 1 
        803 1 103 ILE MD   1 148 ARG HA    6.520 .  6.520 3.909 1.884 5.221     .  0 0 "[    .    1    .    2]" 1 
        804 1 109 ILE MG   1 113 TYR QD    8.650 .  8.650 3.669 2.062 5.048     .  0 0 "[    .    1    .    2]" 1 
        805 1 109 ILE MG   1 113 TYR QE    8.650 .  8.650 3.969 1.754 6.344     .  0 0 "[    .    1    .    2]" 1 
        806 1 102 TYR QD   1 109 ILE MD    8.650 .  8.650 4.150 2.699 6.094     .  0 0 "[    .    1    .    2]" 1 
        807 1 109 ILE MD   1 135 TYR QD    8.650 .  8.650 6.186 5.394 6.682     .  0 0 "[    .    1    .    2]" 1 
        808 1 109 ILE MD   1 113 TYR QD    8.650 .  8.650 4.529 3.196 5.760     .  0 0 "[    .    1    .    2]" 1 
        809 1 109 ILE MD   1 113 TYR QE    8.650 .  8.650 4.601 2.184 6.157     .  0 0 "[    .    1    .    2]" 1 
        810 1 102 TYR QD   1 112 VAL MG1   8.650 .  8.650 3.103 1.943 4.399     .  0 0 "[    .    1    .    2]" 1 
        811 1   7 PHE QD   1 112 VAL MG2   8.650 .  8.650 3.206 2.347 5.826     .  0 0 "[    .    1    .    2]" 1 
        812 1 102 TYR QD   1 112 VAL MG2   8.650 .  8.650 3.144 1.794 5.013     .  0 0 "[    .    1    .    2]" 1 
        813 1 119 TRP HE3  1 120 VAL MG1   6.520 .  6.520 4.581 3.450 5.685     .  0 0 "[    .    1    .    2]" 1 
        814 1 120 VAL MG2  1 127 LEU H     6.520 .  6.520 4.877 3.868 5.597     .  0 0 "[    .    1    .    2]" 1 
        815 1 120 VAL MG2  1 125 PHE H     6.520 .  6.520 3.084 2.191 5.398     .  0 0 "[    .    1    .    2]" 1 
        816 1 119 TRP HE3  1 120 VAL MG2   6.520 .  6.520 4.105 2.653 5.484     .  0 0 "[    .    1    .    2]" 1 
        817 1 120 VAL MG2  1 125 PHE QD    8.650 .  8.650 3.776 2.406 5.381     .  0 0 "[    .    1    .    2]" 1 
        818 1 120 VAL MG2  1 126 ASP HA    6.520 .  6.520 3.905 2.956 4.936     .  0 0 "[    .    1    .    2]" 1 
        819 1  61 TYR QD   1 131 ALA MB    8.650 .  8.650 2.836 1.770 4.056     .  0 0 "[    .    1    .    2]" 1 
        820 1 113 TYR QE   1 131 ALA MB    8.650 .  8.650 3.833 1.884 6.034     .  0 0 "[    .    1    .    2]" 1 
        821 1 132 TYR QE   1 134 ILE MD    8.650 .  8.650 3.369 1.763 5.875     .  0 0 "[    .    1    .    2]" 1 
        822 1 143 ALA MB   1 146 GLN H     6.520 .  6.520 3.508 2.754 4.311     .  0 0 "[    .    1    .    2]" 1 
        823 1 135 TYR QD   1 149 THR MG    8.650 .  8.650 3.426 2.362 5.461     .  0 0 "[    .    1    .    2]" 1 
        824 1 135 TYR QE   1 149 THR MG    8.650 .  8.650 3.484 2.353 5.664     .  0 0 "[    .    1    .    2]" 1 
        825 1 113 TYR QE   1 151 VAL MG1   8.650 .  8.650 5.061 3.148 6.417     .  0 0 "[    .    1    .    2]" 1 
        826 1 113 TYR QE   1 151 VAL MG2   8.650 .  8.650 3.817 1.890 5.780     .  0 0 "[    .    1    .    2]" 1 
        827 1  98 ALA H    1 155 LEU MD1   6.520 .  6.520 3.360 2.309 5.416     .  0 0 "[    .    1    .    2]" 1 
        828 1  98 ALA H    1 155 LEU MD2   6.520 .  6.520 2.390 1.379 4.317     .  0 0 "[    .    1    .    2]" 1 
        829 1  97 ALA HA   1 155 LEU MD1   6.520 .  6.520 3.578 2.423 5.315     .  0 0 "[    .    1    .    2]" 1 
        830 1  97 ALA HA   1 155 LEU MD2   6.520 .  6.520 2.969 1.626 5.130     .  0 0 "[    .    1    .    2]" 1 
        831 1   7 PHE QE   1 111 ALA MB    8.650 .  8.650 3.562 2.044 5.943     .  0 0 "[    .    1    .    2]" 1 
        832 1 125 PHE HB2  1 155 LEU MD2   6.520 .  6.520 4.408 2.102 5.509     .  0 0 "[    .    1    .    2]" 1 
        833 1 125 PHE HB3  1 155 LEU MD2   6.520 .  6.520 4.056 2.085 5.484     .  0 0 "[    .    1    .    2]" 1 
        834 1 125 PHE QD   1 155 LEU MD2   8.650 .  8.650 4.119 1.584 5.883     .  0 0 "[    .    1    .    2]" 1 
        835 1  98 ALA MB   1 155 LEU MD2   7.540 .  7.540 2.449 1.651 3.177     .  0 0 "[    .    1    .    2]" 1 
        836 1  98 ALA MB   1 155 LEU MD1   7.540 .  7.540 2.643 1.458 4.572     .  0 0 "[    .    1    .    2]" 1 
        837 1  35 PHE QE   1  59 ALA MB    8.650 .  8.650 3.020 1.840 5.092     .  0 0 "[    .    1    .    2]" 1 
        838 1  71 VAL MG1  1  72 GLU H     6.520 .  6.520 3.851 3.546 4.047     .  0 0 "[    .    1    .    2]" 1 
        839 1  69 PHE QD   1  71 VAL MG1   8.650 .  8.650 2.553 1.684 3.948     .  0 0 "[    .    1    .    2]" 1 
        840 1  35 PHE HZ   1  71 VAL MG1   6.520 .  6.520 3.880 2.552 5.375     .  0 0 "[    .    1    .    2]" 1 
        841 1  35 PHE QE   1  71 VAL MG1   8.650 .  8.650 3.732 2.197 5.440     .  0 0 "[    .    1    .    2]" 1 
        842 1  61 TYR QE   1  71 VAL MG1   8.650 .  8.650 3.652 2.393 5.760     .  0 0 "[    .    1    .    2]" 1 
        843 1  61 TYR QD   1  71 VAL MG1   8.650 .  8.650 2.531 1.423 4.143     .  0 0 "[    .    1    .    2]" 1 
        844 1  61 TYR HA   1  71 VAL MG1   6.520 .  6.520 2.963 2.198 4.029     .  0 0 "[    .    1    .    2]" 1 
        845 1  25 GLN QB   1  71 VAL MG1   7.400 .  7.400 5.301 4.802 5.435     .  0 0 "[    .    1    .    2]" 1 
        846 1  46 LEU MD1  1  81 VAL MG2   7.540 .  7.540 3.240 1.821 5.055     .  0 0 "[    .    1    .    2]" 1 
        847 1  46 LEU MD2  1  81 VAL MG2   7.540 .  7.540 3.865 2.089 5.024     .  0 0 "[    .    1    .    2]" 1 
        848 1  46 LEU MD1  1  81 VAL MG1   7.540 .  7.540 2.951 1.960 4.517     .  0 0 "[    .    1    .    2]" 1 
        849 1  46 LEU MD2  1  81 VAL MG1   7.540 .  7.540 3.074 1.951 5.026     .  0 0 "[    .    1    .    2]" 1 
        850 1  45 LEU MD1  1  49 GLN HE21  6.520 .  6.520 4.021 2.389 5.347     .  0 0 "[    .    1    .    2]" 1 
        851 1  45 LEU MD1  1  84 SER H     6.240 .  6.240 3.999 2.748 5.129     .  0 0 "[    .    1    .    2]" 1 
        852 1  45 LEU MD1  1  84 SER HB3   6.520 .  6.520 3.709 2.069 5.182     .  0 0 "[    .    1    .    2]" 1 
        853 1  45 LEU MD1  1  83 GLY HA3   6.520 .  6.520 4.848 4.148 5.461     .  0 0 "[    .    1    .    2]" 1 
        854 1  45 LEU MD1  1  83 GLY HA2   6.520 .  6.520 3.591 2.814 4.767     .  0 0 "[    .    1    .    2]" 1 
        855 1  45 LEU MD1  1  84 SER HB2   6.520 .  6.520 3.698 1.911 5.490     .  0 0 "[    .    1    .    2]" 1 
        856 1  45 LEU MD1  1  46 LEU H     6.520 .  6.520 4.325 2.567 5.098     .  0 0 "[    .    1    .    2]" 1 
        857 1  45 LEU MD2  1  83 GLY HA3   6.520 .  6.520 4.358 2.637 5.231     .  0 0 "[    .    1    .    2]" 1 
        858 1  45 LEU MD2  1  83 GLY HA2   6.520 .  6.520 3.000 1.502 4.280     .  0 0 "[    .    1    .    2]" 1 
        859 1  45 LEU MD2  1  84 SER H     6.520 .  6.520 3.333 1.703 4.739     .  0 0 "[    .    1    .    2]" 1 
        860 1  45 LEU MD2  1  46 LEU H     6.520 .  6.520 4.126 3.061 4.789     .  0 0 "[    .    1    .    2]" 1 
        861 1  45 LEU MD2  1  83 GLY H     6.520 .  6.520 4.792 4.086 5.459     .  0 0 "[    .    1    .    2]" 1 
        862 1  42 ILE MD   1  75 PHE H     6.520 .  6.520 4.839 3.174 5.451     .  0 0 "[    .    1    .    2]" 1 
        863 1  22 ILE H    1  42 ILE MD    6.520 .  6.520 4.514 3.138 5.428     .  0 0 "[    .    1    .    2]" 1 
        864 1  42 ILE MD   1  75 PHE QD    8.650 .  8.650 3.544 2.359 5.472     .  0 0 "[    .    1    .    2]" 1 
        865 1  39 TYR QD   1  42 ILE MD    8.650 .  8.650 5.346 3.246 6.642     .  0 0 "[    .    1    .    2]" 1 
        866 1  39 TYR HA   1  42 ILE MD    6.520 .  6.520 3.668 2.129 5.254     .  0 0 "[    .    1    .    2]" 1 
        867 1  26 THR MG   1  69 PHE QE    8.650 .  8.650 3.862 1.874 6.196     .  0 0 "[    .    1    .    2]" 1 
        868 1  26 THR MG   1  69 PHE QD    8.650 .  8.650 3.216 1.846 6.201     .  0 0 "[    .    1    .    2]" 1 
        869 1  26 THR MG   1  71 VAL MG1   7.540 .  7.540 2.734 1.773 4.322     .  0 0 "[    .    1    .    2]" 1 
        870 1  17 VAL MG1  1  76 PRO HB2   6.520 .  6.520 3.767 2.142 4.903     .  0 0 "[    .    1    .    2]" 1 
        871 1  17 VAL MG1  1  76 PRO HB3   6.520 .  6.520 2.759 2.010 3.795     .  0 0 "[    .    1    .    2]" 1 
        872 1  17 VAL MG1  1  18 PRO HD3   6.520 .  6.520 3.691 2.815 4.829     .  0 0 "[    .    1    .    2]" 1 
        873 1  16 PRO HA   1  17 VAL MG1   6.520 .  6.520 4.866 3.333 5.538     .  0 0 "[    .    1    .    2]" 1 
        874 1  17 VAL MG1  1  76 PRO HA    6.520 .  6.520 3.689 2.865 4.723     .  0 0 "[    .    1    .    2]" 1 
        875 1  17 VAL MG1  1  92 THR H     6.520 .  6.520 4.276 3.138 5.335     .  0 0 "[    .    1    .    2]" 1 
        876 1  17 VAL MG2  1  18 PRO HD3   6.520 .  6.520 3.760 2.890 4.757     .  0 0 "[    .    1    .    2]" 1 
        877 1  17 VAL MG2  1  92 THR H     6.520 .  6.520 4.723 4.068 5.380     .  0 0 "[    .    1    .    2]" 1 
        878 1  17 VAL MG2  1  18 PRO HD2   6.520 .  6.520 3.277 1.796 4.273     .  0 0 "[    .    1    .    2]" 1 
        879 1  17 VAL MG1  1  18 PRO HD2   6.520 .  6.520 2.926 1.840 4.662     .  0 0 "[    .    1    .    2]" 1 
        880 1 112 VAL HA   1 115 ALA MB    6.520 .  6.520 2.831 2.294 3.683     .  0 0 "[    .    1    .    2]" 1 
        881 1   7 PHE HB3  1 115 ALA MB    6.520 .  6.520 4.281 2.694 5.432     .  0 0 "[    .    1    .    2]" 1 
        882 1 112 VAL MG2  1 115 ALA MB    7.540 .  7.540 3.415 2.899 4.469     .  0 0 "[    .    1    .    2]" 1 
        883 1  19 ALA MB   1  76 PRO HA    6.270 .  6.270 2.428 1.922 2.862     .  0 0 "[    .    1    .    2]" 1 
        884 1  22 ILE MG   1  24 THR HB    6.520 .  6.520 4.101 2.756 5.342     .  0 0 "[    .    1    .    2]" 1 
        885 1  22 ILE HA   1  88 VAL MG2   6.520 .  6.520 3.513 2.828 4.535     .  0 0 "[    .    1    .    2]" 1 
        886 1  97 ALA MB   1 152 SER HB2   6.520 .  6.520 3.727 2.684 4.231     .  0 0 "[    .    1    .    2]" 1 
        887 1 103 ILE MG   1 145 ASP HA    6.520 .  6.520 4.011 1.740 5.322     .  0 0 "[    .    1    .    2]" 1 
        888 1 102 TYR HA   1 112 VAL MG2   6.520 .  6.520 4.020 3.192 5.434     .  0 0 "[    .    1    .    2]" 1 
        889 1  98 ALA MB   1 120 VAL HA    6.520 .  6.520 4.683 3.766 5.424     .  0 0 "[    .    1    .    2]" 1 
        890 1  61 TYR HB3  1 131 ALA MB    6.520 .  6.520 4.124 2.829 5.242     .  0 0 "[    .    1    .    2]" 1 
        891 1   7 PHE HB2  1 115 ALA MB    6.520 .  6.520 3.550 2.250 4.792     .  0 0 "[    .    1    .    2]" 1 
        892 1 139 PRO HD3  1 147 LEU MD1   6.520 .  6.520 3.713 2.468 5.047     .  0 0 "[    .    1    .    2]" 1 
        893 1 139 PRO HD2  1 147 LEU MD1   6.520 .  6.520 4.754 3.886 5.328     .  0 0 "[    .    1    .    2]" 1 
        894 1  11 LEU HB2  1 155 LEU MD1   6.520 .  6.520 5.033 4.056 5.457     .  0 0 "[    .    1    .    2]" 1 
        895 1  11 LEU MD1  1  98 ALA HA    6.520 .  6.520 4.001 2.609 5.412     .  0 0 "[    .    1    .    2]" 1 
        896 1  18 PRO HD2  1  91 LEU MD2   9.610 .  9.610 5.742 4.257 7.354     .  0 0 "[    .    1    .    2]" 1 
        897 1 100 SER HB3  1 116 LEU MD1   6.520 .  6.520 3.912 2.015 5.414     .  0 0 "[    .    1    .    2]" 1 
        898 1  33 SER HA   1  37 ALA MB    6.520 .  6.520 4.743 3.939 5.307     .  0 0 "[    .    1    .    2]" 1 
        899 1   2 ASP QB   1   3 PHE QB    5.870 .  5.870 4.163 3.319 4.832     .  0 0 "[    .    1    .    2]" 1 
        900 1   2 ASP HB3  1   3 PHE HB2   6.950 .  6.950 5.287 3.855 6.470     .  0 0 "[    .    1    .    2]" 1 
        901 1   2 ASP HB3  1   3 PHE HB3   6.950 .  6.950 5.536 3.956 7.068 0.118  1 0 "[    .    1    .    2]" 1 
        902 1   4 GLU H    1   4 GLU QB    3.910 .  3.910 2.734 2.263 3.328     .  0 0 "[    .    1    .    2]" 1 
        903 1   6 GLN H    1   6 GLN QB    3.770 .  3.770 2.773 2.340 3.379     .  0 0 "[    .    1    .    2]" 1 
        904 1   6 GLN QB   1   7 PHE H     4.310 .  4.310 3.320 1.721 3.918     .  0 0 "[    .    1    .    2]" 1 
        905 1   7 PHE H    1   7 PHE QB    3.790 .  3.790 2.768 2.292 3.364     .  0 0 "[    .    1    .    2]" 1 
        906 1   7 PHE QB   1 112 VAL MG2   7.400 .  7.400 2.724 1.817 4.807     .  0 0 "[    .    1    .    2]" 1 
        907 1   8 VAL QG   1   9 CYS H     6.180 .  6.180 2.804 2.466 3.078     .  0 0 "[    .    1    .    2]" 1 
        908 1   8 VAL QG   1 100 SER HA    8.070 .  8.070 4.344 3.381 5.709     .  0 0 "[    .    1    .    2]" 1 
        909 1   9 CYS QB   1  10 GLU H     4.190 .  4.190 3.178 2.516 3.733     .  0 0 "[    .    1    .    2]" 1 
        910 1   9 CYS QB   1 100 SER HA    6.380 .  6.380 4.316 3.311 5.627     .  0 0 "[    .    1    .    2]" 1 
        911 1   9 CYS QB   1 116 LEU MD2   7.400 .  7.400 2.944 1.903 4.735     .  0 0 "[    .    1    .    2]" 1 
        912 1   9 CYS QB   1 119 TRP HD1   6.380 .  6.380 3.753 2.318 5.713     .  0 0 "[    .    1    .    2]" 1 
        913 1  10 GLU H    1 100 SER QB    6.380 .  6.380 4.153 3.089 5.086     .  0 0 "[    .    1    .    2]" 1 
        914 1  10 GLU QB   1  11 LEU H     3.850 .  3.850 2.818 2.049 3.556     .  0 0 "[    .    1    .    2]" 1 
        915 1  11 LEU MD1  1  96 LYS QG    7.210 .  7.210 3.211 1.838 4.581     .  0 0 "[    .    1    .    2]" 1 
        916 1  11 LEU MD1  1  96 LYS QE    7.400 .  7.400 4.316 3.299 5.472     .  0 0 "[    .    1    .    2]" 1 
        917 1  11 LEU MD2  1  96 LYS QE    7.400 .  7.400 4.525 3.461 5.439     .  0 0 "[    .    1    .    2]" 1 
        918 1  12 LYS H    1  12 LYS QB    3.730 .  3.730 2.652 2.435 3.282     .  0 0 "[    .    1    .    2]" 1 
        919 1  12 LYS QB   1  13 GLU H     4.250 .  4.250 2.804 2.048 3.718     .  0 0 "[    .    1    .    2]" 1 
        920 1  12 LYS QB   1  14 LEU QD    8.020 .  8.020 3.750 2.851 4.915     .  0 0 "[    .    1    .    2]" 1 
        921 1  12 LYS HB2  1  14 LEU MD2   9.610 .  9.610 4.969 3.344 7.856     .  0 0 "[    .    1    .    2]" 1 
        922 1  12 LYS HB3  1  14 LEU MD2   9.610 .  9.610 4.855 3.121 7.488     .  0 0 "[    .    1    .    2]" 1 
        923 1  12 LYS QG   1  13 GLU H     6.380 .  6.380 3.600 2.409 4.580     .  0 0 "[    .    1    .    2]" 1 
        924 1  12 LYS QD   1  13 GLU H     6.380 .  6.380 4.225 2.991 5.324     .  0 0 "[    .    1    .    2]" 1 
        925 1  13 GLU HA   1  96 LYS QG    6.380 .  6.380 3.891 1.871 5.040     .  0 0 "[    .    1    .    2]" 1 
        926 1  13 GLU QB   1  14 LEU H     4.210 .  4.210 3.122 2.602 3.843     .  0 0 "[    .    1    .    2]" 1 
        927 1  13 GLU QG   1  96 LYS HA    6.380 .  6.380 4.395 3.100 5.349     .  0 0 "[    .    1    .    2]" 1 
        928 1  13 GLU QG   1  96 LYS QG    6.920 .  6.920 4.459 2.401 5.572     .  0 0 "[    .    1    .    2]" 1 
        929 1  14 LEU QB   1  93 PRO QB    7.260 .  7.260 4.685 2.944 5.843     .  0 0 "[    .    1    .    2]" 1 
        930 1  14 LEU QB   1  94 SER H     6.380 .  6.380 5.010 4.282 5.536     .  0 0 "[    .    1    .    2]" 1 
        931 1  14 LEU QB   1  94 SER HA    6.380 .  6.380 3.058 2.330 4.343     .  0 0 "[    .    1    .    2]" 1 
        932 1  14 LEU QB   1  95 GLY H     6.380 .  6.380 2.962 1.820 3.648     .  0 0 "[    .    1    .    2]" 1 
        933 1  14 LEU QB   1  97 ALA MB    7.400 .  7.400 4.120 2.259 5.403     .  0 0 "[    .    1    .    2]" 1 
        934 1  14 LEU QD   1  97 ALA MB    9.090 .  9.090 2.385 1.780 4.414     .  0 0 "[    .    1    .    2]" 1 
        935 1  14 LEU QD   1 132 TYR QD   10.200 . 10.200 3.578 2.577 4.484     .  0 0 "[    .    1    .    2]" 1 
        936 1  14 LEU QD   1 152 SER QB    8.950 .  8.950 3.351 1.922 4.137     .  0 0 "[    .    1    .    2]" 1 
        937 1  16 PRO HA   1  91 LEU QD    8.070 .  8.070 3.522 2.410 4.846     .  0 0 "[    .    1    .    2]" 1 
        938 1  17 VAL HB   1  76 PRO QB    6.380 .  6.380 4.539 2.573 5.678     .  0 0 "[    .    1    .    2]" 1 
        939 1  17 VAL MG1  1  76 PRO QG    7.410 .  7.410 3.688 2.727 5.134     .  0 0 "[    .    1    .    2]" 1 
        940 1  18 PRO HA   1  91 LEU QD    7.630 .  7.630 3.062 1.857 4.225     .  0 0 "[    .    1    .    2]" 1 
        941 1  18 PRO HB2  1  91 LEU QD    8.070 .  8.070 4.846 3.614 6.027     .  0 0 "[    .    1    .    2]" 1 
        942 1  18 PRO QG   1  77 VAL MG2   7.410 .  7.410 3.973 2.446 5.391     .  0 0 "[    .    1    .    2]" 1 
        943 1  18 PRO QG   1  91 LEU QD    8.950 .  8.950 3.755 2.512 5.817     .  0 0 "[    .    1    .    2]" 1 
        944 1  18 PRO QD   1  91 LEU QD    8.020 .  8.020 3.696 2.139 4.989     .  0 0 "[    .    1    .    2]" 1 
        945 1  18 PRO HD2  1  91 LEU MD1   9.610 .  9.610 5.717 3.640 7.101     .  0 0 "[    .    1    .    2]" 1 
        946 1  18 PRO HD3  1  91 LEU MD1   9.610 .  9.610 4.627 2.162 6.023     .  0 0 "[    .    1    .    2]" 1 
        947 1  19 ALA H    1  91 LEU QD    8.040 .  8.040 4.099 2.894 4.884     .  0 0 "[    .    1    .    2]" 1 
        948 1  20 LEU QB   1  77 VAL MG1   5.850 .  5.850 2.639 1.787 4.022     .  0 0 "[    .    1    .    2]" 1 
        949 1  20 LEU HG   1  81 VAL QG    8.070 .  8.070 3.974 2.506 5.676     .  0 0 "[    .    1    .    2]" 1 
        950 1  20 LEU QD   1  46 LEU MD1   8.840 .  8.840 3.365 2.234 4.261     .  0 0 "[    .    1    .    2]" 1 
        951 1  20 LEU QD   1  77 VAL HB    8.070 .  8.070 3.995 3.411 5.018     .  0 0 "[    .    1    .    2]" 1 
        952 1  20 LEU QD   1  81 VAL HB    8.070 .  8.070 2.906 2.014 3.671     .  0 0 "[    .    1    .    2]" 1 
        953 1  20 LEU QD   1  82 GLU HA    8.070 .  8.070 3.943 2.089 5.321     .  0 0 "[    .    1    .    2]" 1 
        954 1  20 LEU QD   1  83 GLY H     8.070 .  8.070 3.959 2.795 5.503     .  0 0 "[    .    1    .    2]" 1 
        955 1  20 LEU QD   1  83 GLY QA    6.770 .  6.770 2.652 1.698 3.599     .  0 0 "[    .    1    .    2]" 1 
        956 1  20 LEU MD1  1  83 GLY HA3   8.280 .  8.280 4.208 2.556 5.411     .  0 0 "[    .    1    .    2]" 1 
        957 1  20 LEU QD   1  87 VAL H     8.070 .  8.070 5.402 4.661 5.791     .  0 0 "[    .    1    .    2]" 1 
        958 1  20 LEU QD   1  87 VAL HA    8.070 .  8.070 4.445 3.658 5.485     .  0 0 "[    .    1    .    2]" 1 
        959 1  20 LEU QD   1  87 VAL HB    8.070 .  8.070 3.782 2.706 4.791     .  0 0 "[    .    1    .    2]" 1 
        960 1  20 LEU QD   1  88 VAL H     8.070 .  8.070 4.107 3.110 5.274     .  0 0 "[    .    1    .    2]" 1 
        961 1  20 LEU QD   1  89 THR MG    8.220 .  8.220 2.554 1.631 3.804     .  0 0 "[    .    1    .    2]" 1 
        962 1  20 LEU QD   1  90 GLY H     8.070 .  8.070 3.956 3.038 5.219     .  0 0 "[    .    1    .    2]" 1 
        963 1  21 LEU H    1  87 VAL QG    8.070 .  8.070 3.249 2.611 4.107     .  0 0 "[    .    1    .    2]" 1 
        964 1  22 ILE MG   1  86 ARG QB    7.400 .  7.400 3.504 2.209 5.265     .  0 0 "[    .    1    .    2]" 1 
        965 1  22 ILE QG   1  42 ILE MD    7.400 .  7.400 3.938 2.270 5.589     .  0 0 "[    .    1    .    2]" 1 
        966 1  22 ILE QG   1  87 VAL QG    8.020 .  8.020 2.959 1.637 4.430     .  0 0 "[    .    1    .    2]" 1 
        967 1  22 ILE HG12 1  87 VAL MG1   9.620 .  9.620 4.536 3.045 6.228     .  0 0 "[    .    1    .    2]" 1 
        968 1  22 ILE HG13 1  87 VAL MG1   9.620 .  9.620 4.314 1.767 5.796     .  0 0 "[    .    1    .    2]" 1 
        969 1  31 LEU HA   1  34 LEU QB    5.110 .  5.110 3.022 1.972 4.388     .  0 0 "[    .    1    .    2]" 1 
        970 1  31 LEU QB   1  32 GLY H     4.150 .  4.150 2.679 2.157 3.733     .  0 0 "[    .    1    .    2]" 1 
        971 1  31 LEU QD   1  35 PHE QD   10.200 . 10.200 3.262 2.276 5.085     .  0 0 "[    .    1    .    2]" 1 
        972 1  31 LEU QD   1  69 PHE QE   10.200 . 10.200 3.174 1.543 5.293     .  0 0 "[    .    1    .    2]" 1 
        973 1  33 SER HA   1  36 GLU QB    4.840 .  4.840 2.876 2.220 3.493     .  0 0 "[    .    1    .    2]" 1 
        974 1  33 SER QB   1  36 GLU QB    7.260 .  7.260 4.331 3.706 5.058     .  0 0 "[    .    1    .    2]" 1 
        975 1  34 LEU H    1  34 LEU QB    3.720 .  3.720 2.239 2.058 2.539     .  0 0 "[    .    1    .    2]" 1 
        976 1  34 LEU QB   1  35 PHE H     3.930 .  3.930 2.583 2.255 3.617     .  0 0 "[    .    1    .    2]" 1 
        977 1  35 PHE QB   1  36 GLU H     4.450 .  4.450 2.668 2.302 3.706     .  0 0 "[    .    1    .    2]" 1 
        978 1  36 GLU H    1  36 GLU QB    3.420 .  3.420 2.301 2.064 2.496     .  0 0 "[    .    1    .    2]" 1 
        979 1  36 GLU HA   1  39 TYR QB    6.260 .  6.260 4.298 2.832 5.519     .  0 0 "[    .    1    .    2]" 1 
        980 1  36 GLU QB   1  37 ALA H     3.970 .  3.970 2.466 2.189 3.054     .  0 0 "[    .    1    .    2]" 1 
        981 1  40 HIS H    1  40 HIS QB    3.560 .  3.560 2.277 2.062 2.571     .  0 0 "[    .    1    .    2]" 1 
        982 1  40 HIS QB   1  41 ASP H     4.130 .  4.130 2.758 2.279 3.618     .  0 0 "[    .    1    .    2]" 1 
        983 1  45 LEU QB   1  84 SER QB    6.320 .  6.320 4.127 2.288 4.956     .  0 0 "[    .    1    .    2]" 1 
        984 1  45 LEU HB2  1  84 SER HB2   7.260 .  7.260 5.244 2.869 6.630     .  0 0 "[    .    1    .    2]" 1 
        985 1  45 LEU HB3  1  84 SER HB2   7.260 .  7.260 6.089 2.433 7.327 0.067 15 0 "[    .    1    .    2]" 1 
        986 1  45 LEU MD1  1  83 GLY QA    5.980 .  5.980 3.484 2.778 4.236     .  0 0 "[    .    1    .    2]" 1 
        987 1  45 LEU MD2  1  83 GLY QA    6.290 .  6.290 2.940 1.494 4.028     .  0 0 "[    .    1    .    2]" 1 
        988 1  46 LEU HA   1  49 GLN QB    5.230 .  5.230 3.243 2.391 4.340     .  0 0 "[    .    1    .    2]" 1 
        989 1  46 LEU HA   1  81 VAL QG    8.070 .  8.070 3.399 2.634 4.152     .  0 0 "[    .    1    .    2]" 1 
        990 1  46 LEU MD1  1  53 PRO QG    7.410 .  7.410 3.831 2.183 5.464     .  0 0 "[    .    1    .    2]" 1 
        991 1  49 GLN H    1  49 GLN QB    3.570 .  3.570 2.380 2.235 2.839     .  0 0 "[    .    1    .    2]" 1 
        992 1  49 GLN QB   1  81 VAL QG    8.020 .  8.020 3.642 3.010 4.498     .  0 0 "[    .    1    .    2]" 1 
        993 1  49 GLN HB2  1  81 VAL MG2   9.620 .  9.620 5.297 3.403 6.752     .  0 0 "[    .    1    .    2]" 1 
        994 1  49 GLN HB3  1  81 VAL MG2   9.620 .  9.620 5.023 3.681 6.578     .  0 0 "[    .    1    .    2]" 1 
        995 1  49 GLN QE   1  81 VAL QG    6.760 .  6.760 2.892 1.542 4.103     .  0 0 "[    .    1    .    2]" 1 
        996 1  49 GLN HE22 1  81 VAL MG2   8.250 .  8.250 4.770 2.729 6.834     .  0 0 "[    .    1    .    2]" 1 
        997 1  49 GLN QE   1  82 GLU QB    5.850 .  5.850 3.712 2.213 4.471     .  0 0 "[    .    1    .    2]" 1 
        998 1  49 GLN HE22 1  82 GLU HB2   7.230 .  7.230 4.479 2.249 6.152     .  0 0 "[    .    1    .    2]" 1 
        999 1  51 LYS H    1  51 LYS QB    3.730 .  3.730 2.770 2.337 3.261     .  0 0 "[    .    1    .    2]" 1 
       1000 1  51 LYS HA   1  51 LYS QD    5.010 .  5.010 3.810 1.947 4.514     .  0 0 "[    .    1    .    2]" 1 
       1001 1  51 LYS HA   1  51 LYS QE    5.000 .  5.000 4.085 3.214 4.590     .  0 0 "[    .    1    .    2]" 1 
       1002 1  51 LYS QB   1  52 SER H     3.320 .  3.320 2.187 1.946 2.550     .  0 0 "[    .    1    .    2]" 1 
       1003 1  51 LYS QD   1  81 VAL QG    7.050 .  7.050 2.624 1.670 4.232     .  0 0 "[    .    1    .    2]" 1 
       1004 1  51 LYS HD2  1  81 VAL MG1   8.170 .  8.170 4.449 1.948 6.713     .  0 0 "[    .    1    .    2]" 1 
       1005 1  51 LYS HD3  1  81 VAL MG2   8.170 .  8.170 3.197 1.831 5.146     .  0 0 "[    .    1    .    2]" 1 
       1006 1  51 LYS QE   1  81 VAL QG    6.680 .  6.680 3.480 2.385 4.388     .  0 0 "[    .    1    .    2]" 1 
       1007 1  51 LYS HE3  1  81 VAL MG1   8.280 .  8.280 5.413 3.987 6.749     .  0 0 "[    .    1    .    2]" 1 
       1008 1  52 SER H    1  52 SER QB    3.730 .  3.730 2.908 2.643 3.263     .  0 0 "[    .    1    .    2]" 1 
       1009 1  53 PRO QB   1  54 SER H     3.880 .  3.880 2.998 2.226 3.349     .  0 0 "[    .    1    .    2]" 1 
       1010 1  53 PRO QB   1  55 GLY H     3.710 .  3.710 2.613 2.204 3.406     .  0 0 "[    .    1    .    2]" 1 
       1011 1  53 PRO QB   1  75 PHE QB    6.320 .  6.320 3.203 2.118 4.759     .  0 0 "[    .    1    .    2]" 1 
       1012 1  53 PRO HB2  1  75 PHE HB3   7.260 .  7.260 5.289 3.550 6.829     .  0 0 "[    .    1    .    2]" 1 
       1013 1  53 PRO HB3  1  75 PHE HB3   7.260 .  7.260 4.156 2.146 6.372     .  0 0 "[    .    1    .    2]" 1 
       1014 1  53 PRO QB   1  77 VAL MG1   7.400 .  7.400 4.173 2.450 5.205     .  0 0 "[    .    1    .    2]" 1 
       1015 1  53 PRO QD   1  54 SER H     5.500 .  5.500 4.912 4.542 4.995     .  0 0 "[    .    1    .    2]" 1 
       1016 1  58 PHE QB   1  59 ALA H     4.480 .  4.480 2.802 2.045 3.366     .  0 0 "[    .    1    .    2]" 1 
       1017 1  58 PHE QB   1 134 ILE MG    7.400 .  7.400 3.388 1.787 5.323     .  0 0 "[    .    1    .    2]" 1 
       1018 1  58 PHE QB   1 134 ILE MD    7.400 .  7.400 3.994 1.874 5.388     .  0 0 "[    .    1    .    2]" 1 
       1019 1  60 ARG HA   1 133 GLU QG    6.380 .  6.380 5.193 4.221 5.882     .  0 0 "[    .    1    .    2]" 1 
       1020 1  61 TYR HA   1  70 GLU QG    6.380 .  6.380 5.391 4.368 5.850     .  0 0 "[    .    1    .    2]" 1 
       1021 1  64 MET H    1  64 MET QB    3.820 .  3.820 2.656 2.204 3.336     .  0 0 "[    .    1    .    2]" 1 
       1022 1  64 MET QG   1 154 MET H     6.380 .  6.380 5.573 4.974 5.876     .  0 0 "[    .    1    .    2]" 1 
       1023 1  69 PHE QB   1  70 GLU H     4.090 .  4.090 3.323 2.040 3.868     .  0 0 "[    .    1    .    2]" 1 
       1024 1  70 GLU QG   1  71 VAL H     5.370 .  5.370 3.233 2.091 4.642     .  0 0 "[    .    1    .    2]" 1 
       1025 1  70 GLU QG   1  71 VAL HA    6.380 .  6.380 4.495 3.590 5.793     .  0 0 "[    .    1    .    2]" 1 
       1026 1  77 VAL HB   1  81 VAL QG    7.360 .  7.360 2.211 1.642 4.217     .  0 0 "[    .    1    .    2]" 1 
       1027 1  77 VAL MG2  1  79 GLY QA    7.400 .  7.400 3.260 2.623 5.447     .  0 0 "[    .    1    .    2]" 1 
       1028 1  78 GLU QB   1  79 GLY H     4.110 .  4.110 2.604 2.024 3.355     .  0 0 "[    .    1    .    2]" 1 
       1029 1  82 GLU H    1  82 GLU QB    3.850 .  3.850 2.569 2.122 3.259     .  0 0 "[    .    1    .    2]" 1 
       1030 1  82 GLU QB   1  83 GLY H     4.080 .  4.080 2.910 1.758 3.723     .  0 0 "[    .    1    .    2]" 1 
       1031 1  82 GLU QB   1  89 THR MG    7.400 .  7.400 4.708 2.441 5.525     .  0 0 "[    .    1    .    2]" 1 
       1032 1  82 GLU QG   1  83 GLY H     5.350 .  5.350 3.221 1.851 4.652     .  0 0 "[    .    1    .    2]" 1 
       1033 1  83 GLY QA   1  88 VAL MG1   7.400 .  7.400 3.731 2.729 4.719     .  0 0 "[    .    1    .    2]" 1 
       1034 1  83 GLY QA   1  89 THR H     5.260 .  5.260 3.291 2.272 4.339     .  0 0 "[    .    1    .    2]" 1 
       1035 1  90 GLY QA   1  91 LEU H     3.080 .  3.080 2.226 2.142 2.305     .  0 0 "[    .    1    .    2]" 1 
       1036 1  91 LEU QD   1  92 THR H     6.070 .  6.070 3.484 2.323 4.109     .  0 0 "[    .    1    .    2]" 1 
       1037 1  93 PRO QB   1  94 SER H     3.770 .  3.770 3.012 2.339 3.441     .  0 0 "[    .    1    .    2]" 1 
       1038 1  94 SER QB   1  95 GLY H     3.860 .  3.860 3.084 2.415 3.611     .  0 0 "[    .    1    .    2]" 1 
       1039 1  96 LYS H    1  96 LYS QB    3.880 .  3.880 2.621 2.092 3.400     .  0 0 "[    .    1    .    2]" 1 
       1040 1  96 LYS QB   1  97 ALA H     4.160 .  4.160 2.952 2.426 3.756     .  0 0 "[    .    1    .    2]" 1 
       1041 1  98 ALA MB   1 153 LEU QB    7.400 .  7.400 3.680 2.477 4.844     .  0 0 "[    .    1    .    2]" 1 
       1042 1 100 SER QB   1 112 VAL MG1   7.400 .  7.400 3.822 1.877 4.989     .  0 0 "[    .    1    .    2]" 1 
       1043 1 100 SER QB   1 112 VAL MG2   6.020 .  6.020 2.679 1.424 4.447     .  0 0 "[    .    1    .    2]" 1 
       1044 1 100 SER QB   1 116 LEU HA    6.380 .  6.380 4.844 3.315 5.728     .  0 0 "[    .    1    .    2]" 1 
       1045 1 100 SER QB   1 116 LEU MD2   6.110 .  6.110 2.459 1.773 4.536     .  0 0 "[    .    1    .    2]" 1 
       1046 1 101 LEU QB   1 136 LEU QD    8.950 .  8.950 5.282 4.539 5.864     .  0 0 "[    .    1    .    2]" 1 
       1047 1 102 TYR QB   1 112 VAL MG2   7.400 .  7.400 3.131 1.866 4.675     .  0 0 "[    .    1    .    2]" 1 
       1048 1 103 ILE MG   1 146 GLN QG    7.400 .  7.400 4.689 2.549 5.539     .  0 0 "[    .    1    .    2]" 1 
       1049 1 103 ILE MD   1 148 ARG QB    7.400 .  7.400 3.845 2.610 5.430     .  0 0 "[    .    1    .    2]" 1 
       1050 1 106 TYR QE   1 133 GLU QB    8.510 .  8.510 4.974 3.187 6.254     .  0 0 "[    .    1    .    2]" 1 
       1051 1 106 TYR QE   1 133 GLU QG    8.510 .  8.510 5.039 3.808 6.186     .  0 0 "[    .    1    .    2]" 1 
       1052 1 109 ILE QG   1 113 TYR QE    8.510 .  8.510 4.391 1.971 6.280     .  0 0 "[    .    1    .    2]" 1 
       1053 1 109 ILE QG   1 151 VAL MG1   7.400 .  7.400 3.814 2.446 5.325     .  0 0 "[    .    1    .    2]" 1 
       1054 1 109 ILE QG   1 151 VAL MG2   7.400 .  7.400 3.670 2.536 4.567     .  0 0 "[    .    1    .    2]" 1 
       1055 1 110 GLU H    1 110 GLU QB    3.360 .  3.360 2.398 2.187 2.859     .  0 0 "[    .    1    .    2]" 1 
       1056 1 110 GLU HA   1 113 TYR QB    6.380 .  6.380 2.312 1.517 2.731     .  0 0 "[    .    1    .    2]" 1 
       1057 1 111 ALA HA   1 114 ASP QB    4.990 .  4.990 3.141 2.473 3.869     .  0 0 "[    .    1    .    2]" 1 
       1058 1 113 TYR QB   1 114 ASP H     4.320 .  4.320 2.592 2.384 2.759     .  0 0 "[    .    1    .    2]" 1 
       1059 1 114 ASP H    1 114 ASP QB    3.760 .  3.760 2.238 2.140 2.390     .  0 0 "[    .    1    .    2]" 1 
       1060 1 114 ASP QB   1 115 ALA H     3.820 .  3.820 2.644 2.294 2.976     .  0 0 "[    .    1    .    2]" 1 
       1061 1 116 LEU H    1 116 LEU QB    3.730 .  3.730 2.301 2.041 2.712     .  0 0 "[    .    1    .    2]" 1 
       1062 1 116 LEU HA   1 119 TRP QB    5.140 .  5.140 2.865 2.183 3.993     .  0 0 "[    .    1    .    2]" 1 
       1063 1 118 LYS HA   1 121 ASP QB    4.320 .  4.320 2.844 2.175 3.890     .  0 0 "[    .    1    .    2]" 1 
       1064 1 118 LYS QG   1 119 TRP H     6.380 .  6.380 3.703 2.102 4.641     .  0 0 "[    .    1    .    2]" 1 
       1065 1 118 LYS QG   1 121 ASP QB    7.260 .  7.260 4.249 3.416 5.100     .  0 0 "[    .    1    .    2]" 1 
       1066 1 119 TRP HA   1 122 ASP QB    6.380 .  6.380 2.886 2.313 4.236     .  0 0 "[    .    1    .    2]" 1 
       1067 1 121 ASP QB   1 122 ASP H     3.910 .  3.910 2.601 2.317 2.800     .  0 0 "[    .    1    .    2]" 1 
       1068 1 122 ASP H    1 122 ASP QB    3.240 .  3.240 2.249 2.215 2.290     .  0 0 "[    .    1    .    2]" 1 
       1069 1 122 ASP QB   1 123 ASN H     4.400 .  4.400 2.666 2.352 3.479     .  0 0 "[    .    1    .    2]" 1 
       1070 1 123 ASN H    1 123 ASN QB    3.710 .  3.710 2.285 2.161 2.531     .  0 0 "[    .    1    .    2]" 1 
       1071 1 125 PHE HB3  1 155 LEU QB    6.380 .  6.380 3.829 2.223 5.736     .  0 0 "[    .    1    .    2]" 1 
       1072 1 125 PHE QD   1 155 LEU QB    8.510 .  8.510 4.304 2.323 6.071     .  0 0 "[    .    1    .    2]" 1 
       1073 1 132 TYR QD   1 152 SER QB    8.510 .  8.510 3.111 2.181 4.468     .  0 0 "[    .    1    .    2]" 1 
       1074 1 136 LEU QD   1 137 ASP H     8.070 .  8.070 3.174 2.067 4.346     .  0 0 "[    .    1    .    2]" 1 
       1075 1 136 LEU QD   1 149 THR HA    8.070 .  8.070 3.062 2.029 4.842     .  0 0 "[    .    1    .    2]" 1 
       1076 1 138 ASN H    1 138 ASN QB    3.750 .  3.750 2.472 2.202 3.000     .  0 0 "[    .    1    .    2]" 1 
       1077 1 138 ASN QB   1 141 GLU QG    7.260 .  7.260 4.001 2.165 5.574     .  0 0 "[    .    1    .    2]" 1 
       1078 1 140 ALA MB   1 141 GLU QG    7.400 .  7.400 4.279 2.804 5.443     .  0 0 "[    .    1    .    2]" 1 
       1079 1 141 GLU H    1 141 GLU QB    3.620 .  3.620 2.479 2.189 3.309     .  0 0 "[    .    1    .    2]" 1 
       1080 1 141 GLU QB   1 142 THR H     4.080 .  4.080 2.868 1.812 3.794     .  0 0 "[    .    1    .    2]" 1 
       1081 1 142 THR MG   1 146 GLN QB    7.400 .  7.400 4.047 2.591 5.277     .  0 0 "[    .    1    .    2]" 1 
       1082 1 143 ALA MB   1 146 GLN QB    7.400 .  7.400 2.630 1.660 4.266     .  0 0 "[    .    1    .    2]" 1 
       1083 1 143 ALA MB   1 146 GLN QG    6.620 .  6.620 3.305 1.996 4.417     .  0 0 "[    .    1    .    2]" 1 
       1084 1 144 PRO HA   1 147 LEU QB    6.380 .  6.380 4.206 2.201 5.560     .  0 0 "[    .    1    .    2]" 1 
       1085 1 144 PRO QB   1 145 ASP H     3.830 .  3.830 3.010 2.130 3.316     .  0 0 "[    .    1    .    2]" 1 
       1086 1 145 ASP H    1 145 ASP QB    3.590 .  3.590 2.905 2.247 3.093     .  0 0 "[    .    1    .    2]" 1 
       1087 1 146 GLN H    1 146 GLN QB    3.670 .  3.670 2.466 2.268 2.976     .  0 0 "[    .    1    .    2]" 1 
       1088 1 146 GLN H    1 147 LEU QB    5.080 .  5.080 4.254 3.810 4.562     .  0 0 "[    .    1    .    2]" 1 
       1089 1 147 LEU H    1 147 LEU QB    3.620 .  3.620 2.357 2.144 2.798     .  0 0 "[    .    1    .    2]" 1 
       1090 1 153 LEU H    1 153 LEU QB    3.800 .  3.800 2.649 2.219 3.291     .  0 0 "[    .    1    .    2]" 1 
       1091 1 153 LEU QB   1 155 LEU MD2   6.750 .  6.750 4.360 1.645 4.974     .  0 0 "[    .    1    .    2]" 1 
       1092 1 154 MET QB   1 159 LEU H     6.380 .  6.380 4.880 3.737 5.752     .  0 0 "[    .    1    .    2]" 1 
       1093 1 154 MET QB   1 159 LEU QD    8.110 .  8.110 4.150 2.717 5.243     .  0 0 "[    .    1    .    2]" 1 
       1094 1 155 LEU QB   1 156 HIS H     4.110 .  4.110 3.072 2.075 3.946     .  0 0 "[    .    1    .    2]" 1 
       1095 1 156 HIS H    1 156 HIS QB    3.520 .  3.520 2.673 2.105 3.126     .  0 0 "[    .    1    .    2]" 1 
    stop_

save_


save_distance_constraint_statistics_2
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            2
    _Distance_constraint_stats_list.Constraint_count              44
    _Distance_constraint_stats_list.Viol_count                    236
    _Distance_constraint_stats_list.Viol_total                    147.838
    _Distance_constraint_stats_list.Viol_max                      0.151
    _Distance_constraint_stats_list.Viol_rms                      0.0195
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0084
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0313
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       .

    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  12 LYS 0.057 0.050 20 0 "[    .    1    .    2]" 
       1  14 LEU 0.019 0.011 19 0 "[    .    1    .    2]" 
       1  19 ALA 0.267 0.053 16 0 "[    .    1    .    2]" 
       1  20 LEU 0.522 0.078 10 0 "[    .    1    .    2]" 
       1  21 LEU 0.392 0.055 13 0 "[    .    1    .    2]" 
       1  24 THR 0.589 0.151 10 0 "[    .    1    .    2]" 
       1  26 THR 0.277 0.112 20 0 "[    .    1    .    2]" 
       1  43 LEU 0.071 0.028  1 0 "[    .    1    .    2]" 
       1  47 ALA 0.071 0.028  1 0 "[    .    1    .    2]" 
       1  57 PRO 0.562 0.075 15 0 "[    .    1    .    2]" 
       1  58 PHE 0.693 0.074 20 0 "[    .    1    .    2]" 
       1  59 ALA 0.157 0.024 18 0 "[    .    1    .    2]" 
       1  60 ARG 0.703 0.098 10 0 "[    .    1    .    2]" 
       1  61 TYR 0.860 0.104 16 0 "[    .    1    .    2]" 
       1  62 PHE 0.887 0.103 18 0 "[    .    1    .    2]" 
       1  69 PHE 0.277 0.112 20 0 "[    .    1    .    2]" 
       1  70 GLU 0.887 0.103 18 0 "[    .    1    .    2]" 
       1  71 VAL 0.589 0.151 10 0 "[    .    1    .    2]" 
       1  72 GLU 0.703 0.098 10 0 "[    .    1    .    2]" 
       1  74 GLY 0.693 0.074 20 0 "[    .    1    .    2]" 
       1  75 PHE 0.522 0.078 10 0 "[    .    1    .    2]" 
       1  88 VAL 0.392 0.055 13 0 "[    .    1    .    2]" 
       1  90 GLY 0.267 0.053 16 0 "[    .    1    .    2]" 
       1  95 GLY 0.019 0.011 19 0 "[    .    1    .    2]" 
       1  97 ALA 0.057 0.050 20 0 "[    .    1    .    2]" 
       1  98 ALA 0.900 0.114  4 0 "[    .    1    .    2]" 
       1 110 GLU 0.391 0.052 19 0 "[    .    1    .    2]" 
       1 114 ASP 0.391 0.052 19 0 "[    .    1    .    2]" 
       1 131 ALA 0.860 0.104 16 0 "[    .    1    .    2]" 
       1 132 TYR 0.046 0.029 16 0 "[    .    1    .    2]" 
       1 133 GLU 0.157 0.024 18 0 "[    .    1    .    2]" 
       1 135 TYR 0.562 0.075 15 0 "[    .    1    .    2]" 
       1 152 SER 0.046 0.029 16 0 "[    .    1    .    2]" 
       1 153 LEU 0.900 0.114  4 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  14 LEU H 1  95 GLY O 2.000 . 2.000 1.843 1.717 2.011 0.011 19 0 "[    .    1    .    2]" 2 
        2 1  14 LEU N 1  95 GLY O 3.000 . 3.000 2.779 2.688 2.909     .  0 0 "[    .    1    .    2]" 2 
        3 1  19 ALA H 1  90 GLY O 2.000 . 2.000 1.823 1.678 2.027 0.027  7 0 "[    .    1    .    2]" 2 
        4 1  19 ALA N 1  90 GLY O 3.000 . 3.000 2.790 2.656 3.007 0.007  7 0 "[    .    1    .    2]" 2 
        5 1  21 LEU H 1  88 VAL O 2.000 . 2.000 1.869 1.731 2.032 0.032 10 0 "[    .    1    .    2]" 2 
        6 1  21 LEU N 1  88 VAL O 3.000 . 3.000 2.833 2.713 3.016 0.016 10 0 "[    .    1    .    2]" 2 
        7 1  24 THR H 1  71 VAL O 2.000 . 2.000 1.949 1.709 2.151 0.151 10 0 "[    .    1    .    2]" 2 
        8 1  24 THR N 1  71 VAL O 3.000 . 3.000 2.882 2.646 3.020 0.020  5 0 "[    .    1    .    2]" 2 
        9 1  26 THR H 1  69 PHE O 2.000 . 2.000 1.941 1.758 2.112 0.112 20 0 "[    .    1    .    2]" 2 
       10 1  26 THR N 1  69 PHE O 3.000 . 3.000 2.885 2.723 3.034 0.034  9 0 "[    .    1    .    2]" 2 
       11 1  43 LEU O 1  47 ALA H 2.000 . 2.000 1.893 1.684 2.028 0.028  1 0 "[    .    1    .    2]" 2 
       12 1  43 LEU O 1  47 ALA N 3.000 . 3.000 2.830 2.660 2.955     .  0 0 "[    .    1    .    2]" 2 
       13 1  58 PHE H 1  74 GLY O 2.000 . 2.000 1.974 1.707 2.074 0.074 20 0 "[    .    1    .    2]" 2 
       14 1  58 PHE N 1  74 GLY O 3.000 . 3.000 2.935 2.678 3.052 0.052 20 0 "[    .    1    .    2]" 2 
       15 1  59 ALA H 1 133 GLU O 2.000 . 2.000 1.934 1.681 2.024 0.024 18 0 "[    .    1    .    2]" 2 
       16 1  59 ALA N 1 133 GLU O 3.000 . 3.000 2.779 2.643 2.885     .  0 0 "[    .    1    .    2]" 2 
       17 1  60 ARG H 1  72 GLU O 2.000 . 2.000 1.936 1.669 2.086 0.086 14 0 "[    .    1    .    2]" 2 
       18 1  60 ARG N 1  72 GLU O 3.000 . 3.000 2.862 2.625 3.001 0.001 14 0 "[    .    1    .    2]" 2 
       19 1  61 TYR H 1 131 ALA O 2.000 . 2.000 1.767 1.602 2.023 0.023 14 0 "[    .    1    .    2]" 2 
       20 1  61 TYR N 1 131 ALA O 3.000 . 3.000 2.721 2.580 2.941     .  0 0 "[    .    1    .    2]" 2 
       21 1  62 PHE O 1  70 GLU H 2.000 . 2.000 2.007 1.683 2.103 0.103 18 0 "[    .    1    .    2]" 2 
       22 1  62 PHE O 1  70 GLU N 3.000 . 3.000 2.939 2.666 3.022 0.022 10 0 "[    .    1    .    2]" 2 
       23 1  60 ARG O 1  72 GLU H 2.000 . 2.000 1.915 1.641 2.098 0.098 10 0 "[    .    1    .    2]" 2 
       24 1  60 ARG O 1  72 GLU N 3.000 . 3.000 2.848 2.622 3.001 0.001  3 0 "[    .    1    .    2]" 2 
       25 1  20 LEU O 1  75 PHE H 2.000 . 2.000 2.007 1.834 2.078 0.078 10 0 "[    .    1    .    2]" 2 
       26 1  20 LEU O 1  75 PHE N 3.000 . 3.000 2.940 2.814 3.032 0.032 10 0 "[    .    1    .    2]" 2 
       27 1  21 LEU O 1  88 VAL H 2.000 . 2.000 1.985 1.766 2.055 0.055 13 0 "[    .    1    .    2]" 2 
       28 1  21 LEU O 1  88 VAL N 3.000 . 3.000 2.913 2.735 3.018 0.018  2 0 "[    .    1    .    2]" 2 
       29 1  19 ALA O 1  90 GLY H 2.000 . 2.000 1.928 1.706 2.053 0.053 16 0 "[    .    1    .    2]" 2 
       30 1  19 ALA O 1  90 GLY N 3.000 . 3.000 2.815 2.678 2.949     .  0 0 "[    .    1    .    2]" 2 
       31 1  12 LYS O 1  97 ALA H 2.000 . 2.000 1.873 1.704 2.050 0.050 20 0 "[    .    1    .    2]" 2 
       32 1  12 LYS O 1  97 ALA N 3.000 . 3.000 2.819 2.663 2.977     .  0 0 "[    .    1    .    2]" 2 
       33 1 110 GLU O 1 114 ASP H 2.000 . 2.000 2.008 1.935 2.052 0.052 19 0 "[    .    1    .    2]" 2 
       34 1 110 GLU O 1 114 ASP N 3.000 . 3.000 2.925 2.818 3.009 0.009  1 0 "[    .    1    .    2]" 2 
       35 1  61 TYR O 1 131 ALA H 2.000 . 2.000 2.013 1.755 2.104 0.104 16 0 "[    .    1    .    2]" 2 
       36 1  61 TYR O 1 131 ALA N 3.000 . 3.000 2.968 2.731 3.032 0.032 17 0 "[    .    1    .    2]" 2 
       37 1 132 TYR H 1 152 SER O 2.000 . 2.000 1.844 1.640 2.029 0.029 16 0 "[    .    1    .    2]" 2 
       38 1 132 TYR N 1 152 SER O 3.000 . 3.000 2.767 2.588 2.968     .  0 0 "[    .    1    .    2]" 2 
       39 1  59 ALA O 1 133 GLU H 2.000 . 2.000 1.877 1.723 2.020 0.020  7 0 "[    .    1    .    2]" 2 
       40 1  59 ALA O 1 133 GLU N 3.000 . 3.000 2.806 2.594 2.952     .  0 0 "[    .    1    .    2]" 2 
       41 1  57 PRO O 1 135 TYR H 2.000 . 2.000 2.003 1.848 2.075 0.075 15 0 "[    .    1    .    2]" 2 
       42 1  57 PRO O 1 135 TYR N 3.000 . 3.000 2.932 2.825 3.025 0.025 14 0 "[    .    1    .    2]" 2 
       43 1  98 ALA O 1 153 LEU H 2.000 . 2.000 2.031 1.788 2.114 0.114  4 0 "[    .    1    .    2]" 2 
       44 1  98 ALA O 1 153 LEU N 3.000 . 3.000 2.941 2.768 3.015 0.015  4 0 "[    .    1    .    2]" 2 
    stop_

save_



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