NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage program type subtype subsubtype
373070 1djm cing 4-filtered-FRED Wattos check violation distance


data_1djm


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              1041
    _Distance_constraint_stats_list.Viol_count                    3108
    _Distance_constraint_stats_list.Viol_total                    12938.716
    _Distance_constraint_stats_list.Viol_max                      0.390
    _Distance_constraint_stats_list.Viol_rms                      0.0590
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0170
    _Distance_constraint_stats_list.Viol_average_violations_only  0.1542
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       
;
Description of the tags in this list:
*  1 * Administrative tag
*  2 * Administrative tag
*  3 * Administrative tag
*  4 * ID of the restraint list.                                                              
*  5 * Number of restraints in list.                                                          
*  6 * Number of violated restraints (each model violation is used).                          
*  7 * Sum of violations in Angstrom.                                                         
*  8 * Maximum violation of a restraint without averaging in any way.                         
*  9 * Rms of violations over all restraints.                                                 
*  10 * Average violation over all restraints.                                                 
*  11 * Average violation over violated restraints.                                            
           This violation is averaged over only those models in which the restraint is violated.   
           These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).     
*  12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
*  13 * This tag                                                                               

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

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


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

       1   3 ASP  0.000 0.000  . 0 "[    .    1    .    2    .  ]" 
       1   4 LYS  0.750 0.082  9 0 "[    .    1    .    2    .  ]" 
       1   5 GLU  0.716 0.082  8 0 "[    .    1    .    2    .  ]" 
       1   6 LEU  0.801 0.082  9 0 "[    .    1    .    2    .  ]" 
       1   7 LYS  0.870 0.086  9 0 "[    .    1    .    2    .  ]" 
       1   8 PHE  6.462 0.273 19 0 "[    .    1    .    2    .  ]" 
       1   9 LEU  1.262 0.066  1 0 "[    .    1    .    2    .  ]" 
       1  10 VAL 13.474 0.337 14 0 "[    .    1    .    2    .  ]" 
       1  11 VAL 21.699 0.368 22 0 "[    .    1    .    2    .  ]" 
       1  12 ASP  0.007 0.007  8 0 "[    .    1    .    2    .  ]" 
       1  13 ASP  0.000 0.000  . 0 "[    .    1    .    2    .  ]" 
       1  14 PHE  0.073 0.073 26 0 "[    .    1    .    2    .  ]" 
       1  15 SER 11.913 0.294 18 0 "[    .    1    .    2    .  ]" 
       1  16 THR  9.479 0.363  4 0 "[    .    1    .    2    .  ]" 
       1  17 MET  4.722 0.263 27 0 "[    .    1    .    2    .  ]" 
       1  18 ARG 20.690 0.370  8 0 "[    .    1    .    2    .  ]" 
       1  19 ARG 11.471 0.345  3 0 "[    .    1    .    2    .  ]" 
       1  20 ILE 14.705 0.363  4 0 "[    .    1    .    2    .  ]" 
       1  21 VAL 12.696 0.263 27 0 "[    .    1    .    2    .  ]" 
       1  22 ARG 19.328 0.370  8 0 "[    .    1    .    2    .  ]" 
       1  23 ASN 20.994 0.352 16 0 "[    .    1    .    2    .  ]" 
       1  24 LEU  5.150 0.269 11 0 "[    .    1    .    2    .  ]" 
       1  25 LEU  7.855 0.262 12 0 "[    .    1    .    2    .  ]" 
       1  26 LYS 10.664 0.359 16 0 "[    .    1    .    2    .  ]" 
       1  27 GLU  9.763 0.352 16 0 "[    .    1    .    2    .  ]" 
       1  28 LEU  1.845 0.089 26 0 "[    .    1    .    2    .  ]" 
       1  29 GLY  0.336 0.089 26 0 "[    .    1    .    2    .  ]" 
       1  30 PHE  0.317 0.080  7 0 "[    .    1    .    2    .  ]" 
       1  31 ASN  0.234 0.080 22 0 "[    .    1    .    2    .  ]" 
       1  32 ASN  0.234 0.080 22 0 "[    .    1    .    2    .  ]" 
       1  33 VAL  0.000 0.000  . 0 "[    .    1    .    2    .  ]" 
       1  34 GLU 19.255 0.337 14 0 "[    .    1    .    2    .  ]" 
       1  35 GLU  0.127 0.064  7 0 "[    .    1    .    2    .  ]" 
       1  36 ALA  0.372 0.085  7 0 "[    .    1    .    2    .  ]" 
       1  37 GLU  1.516 0.099 13 0 "[    .    1    .    2    .  ]" 
       1  38 ASP  5.553 0.203 22 0 "[    .    1    .    2    .  ]" 
       1  39 GLY 16.599 0.379  8 0 "[    .    1    .    2    .  ]" 
       1  40 VAL  0.000 0.000  . 0 "[    .    1    .    2    .  ]" 
       1  41 ASP  9.523 0.353 23 0 "[    .    1    .    2    .  ]" 
       1  42 ALA 14.203 0.357 24 0 "[    .    1    .    2    .  ]" 
       1  43 LEU 31.791 0.390 22 0 "[    .    1    .    2    .  ]" 
       1  44 ASN  0.000 0.000  . 0 "[    .    1    .    2    .  ]" 
       1  45 LYS  7.542 0.353 23 0 "[    .    1    .    2    .  ]" 
       1  46 LEU 12.049 0.357 24 0 "[    .    1    .    2    .  ]" 
       1  47 GLN 16.402 0.390 22 0 "[    .    1    .    2    .  ]" 
       1  48 ALA  0.577 0.074  5 0 "[    .    1    .    2    .  ]" 
       1  49 GLY  0.215 0.073  8 0 "[    .    1    .    2    .  ]" 
       1  50 GLY  0.000 0.000  . 0 "[    .    1    .    2    .  ]" 
       1  51 TYR  0.287 0.081 21 0 "[    .    1    .    2    .  ]" 
       1  52 GLY  0.685 0.086  9 0 "[    .    1    .    2    .  ]" 
       1  53 PHE  0.103 0.062 12 0 "[    .    1    .    2    .  ]" 
       1  54 VAL  0.000 0.000  . 0 "[    .    1    .    2    .  ]" 
       1  55 ILE  7.541 0.264 15 0 "[    .    1    .    2    .  ]" 
       1  56 SER 21.164 0.355 23 0 "[    .    1    .    2    .  ]" 
       1  57 ASP 11.937 0.368 22 0 "[    .    1    .    2    .  ]" 
       1  58 TRP  9.499 0.372 17 0 "[    .    1    .    2    .  ]" 
       1  59 ASN  0.634 0.073 27 0 "[    .    1    .    2    .  ]" 
       1  60 MET  1.553 0.086 20 0 "[    .    1    .    2    .  ]" 
       1  61 PRO  0.000 0.000  . 0 "[    .    1    .    2    .  ]" 
       1  62 ASN  1.470 0.082  3 0 "[    .    1    .    2    .  ]" 
       1  63 MET  0.840 0.082  3 0 "[    .    1    .    2    .  ]" 
       1  64 ASP  9.749 0.343  4 0 "[    .    1    .    2    .  ]" 
       1  65 GLY 22.652 0.372 17 0 "[    .    1    .    2    .  ]" 
       1  66 LEU  5.419 0.332  5 0 "[    .    1    .    2    .  ]" 
       1  67 GLU  6.740 0.245 16 0 "[    .    1    .    2    .  ]" 
       1  68 LEU 20.712 0.357 10 0 "[    .    1    .    2    .  ]" 
       1  69 LEU 16.988 0.365 17 0 "[    .    1    .    2    .  ]" 
       1  70 LYS  7.331 0.332  5 0 "[    .    1    .    2    .  ]" 
       1  71 THR  6.647 0.245 16 0 "[    .    1    .    2    .  ]" 
       1  72 ILE 12.732 0.357 10 0 "[    .    1    .    2    .  ]" 
       1  73 ARG  1.983 0.143 15 0 "[    .    1    .    2    .  ]" 
       1  74 ALA  0.035 0.035 24 0 "[    .    1    .    2    .  ]" 
       1  75 ASP  1.164 0.099 24 0 "[    .    1    .    2    .  ]" 
       1  76 GLY  0.234 0.082 24 0 "[    .    1    .    2    .  ]" 
       1  77 ALA  0.234 0.082 24 0 "[    .    1    .    2    .  ]" 
       1  78 MET  2.140 0.099 24 0 "[    .    1    .    2    .  ]" 
       1  79 SER  2.065 0.089 19 0 "[    .    1    .    2    .  ]" 
       1  80 ALA  0.027 0.018  1 0 "[    .    1    .    2    .  ]" 
       1  81 LEU  0.027 0.018  1 0 "[    .    1    .    2    .  ]" 
       1  82 PRO  0.000 0.000  . 0 "[    .    1    .    2    .  ]" 
       1  83 VAL 10.744 0.317 12 0 "[    .    1    .    2    .  ]" 
       1  84 LEU 15.484 0.355 23 0 "[    .    1    .    2    .  ]" 
       1  85 MET 22.352 0.378 15 0 "[    .    1    .    2    .  ]" 
       1  86 VAL  5.680 0.292  7 0 "[    .    1    .    2    .  ]" 
       1  87 THR 10.889 0.272  4 0 "[    .    1    .    2    .  ]" 
       1  88 ALA  0.000 0.000  . 0 "[    .    1    .    2    .  ]" 
       1  89 GLU  0.000 0.000  . 0 "[    .    1    .    2    .  ]" 
       1  90 ALA  0.000 0.000  . 0 "[    .    1    .    2    .  ]" 
       1  91 LYS 16.313 0.375  4 0 "[    .    1    .    2    .  ]" 
       1  92 LYS  7.359 0.267  1 0 "[    .    1    .    2    .  ]" 
       1  93 GLU  5.635 0.331 27 0 "[    .    1    .    2    .  ]" 
       1  94 ASN  6.351 0.306 15 0 "[    .    1    .    2    .  ]" 
       1  95 ILE 29.017 0.375  4 0 "[    .    1    .    2    .  ]" 
       1  96 ILE  7.869 0.267  1 0 "[    .    1    .    2    .  ]" 
       1  97 ALA 10.424 0.331 27 0 "[    .    1    .    2    .  ]" 
       1  98 ALA 11.447 0.306 15 0 "[    .    1    .    2    .  ]" 
       1  99 ALA 13.959 0.360  2 0 "[    .    1    .    2    .  ]" 
       1 100 GLN  0.579 0.070  1 0 "[    .    1    .    2    .  ]" 
       1 101 ALA  5.346 0.238 10 0 "[    .    1    .    2    .  ]" 
       1 102 GLY  0.000 0.000  . 0 "[    .    1    .    2    .  ]" 
       1 103 ALA  7.099 0.227 18 0 "[    .    1    .    2    .  ]" 
       1 104 SER 10.495 0.317 12 0 "[    .    1    .    2    .  ]" 
       1 105 GLY 16.350 0.378 15 0 "[    .    1    .    2    .  ]" 
       1 106 TYR  0.000 0.000  . 0 "[    .    1    .    2    .  ]" 
       1 107 VAL  6.002 0.264 16 0 "[    .    1    .    2    .  ]" 
       1 108 VAL  0.000 0.000  . 0 "[    .    1    .    2    .  ]" 
       1 109 LYS 10.939 0.272  4 0 "[    .    1    .    2    .  ]" 
       1 110 PRO  0.145 0.095 11 0 "[    .    1    .    2    .  ]" 
       1 111 PHE  0.712 0.095 11 0 "[    .    1    .    2    .  ]" 
       1 112 THR 14.882 0.374 12 0 "[    .    1    .    2    .  ]" 
       1 113 ALA  5.049 0.324  6 0 "[    .    1    .    2    .  ]" 
       1 114 ALA  0.095 0.058 16 0 "[    .    1    .    2    .  ]" 
       1 115 THR  2.013 0.084  6 0 "[    .    1    .    2    .  ]" 
       1 116 LEU 24.044 0.374 12 0 "[    .    1    .    2    .  ]" 
       1 117 GLU 12.077 0.330 21 0 "[    .    1    .    2    .  ]" 
       1 118 GLU  9.814 0.353 12 0 "[    .    1    .    2    .  ]" 
       1 119 LYS 16.270 0.370 25 0 "[    .    1    .    2    .  ]" 
       1 120 LEU 13.936 0.361 27 0 "[    .    1    .    2    .  ]" 
       1 121 ASN 21.081 0.379 12 0 "[    .    1    .    2    .  ]" 
       1 122 LYS  9.662 0.353 12 0 "[    .    1    .    2    .  ]" 
       1 123 ILE 32.727 0.385 27 0 "[    .    1    .    2    .  ]" 
       1 124 PHE  5.401 0.155  7 0 "[    .    1    .    2    .  ]" 
       1 125 GLU 16.037 0.379 12 0 "[    .    1    .    2    .  ]" 
       1 126 LYS  0.000 0.000  . 0 "[    .    1    .    2    .  ]" 
       1 127 LEU  0.925 0.078  8 0 "[    .    1    .    2    .  ]" 
       1 128 GLY  0.000 0.000  . 0 "[    .    1    .    2    .  ]" 
       1 129 MET 19.499 0.385 27 0 "[    .    1    .    2    .  ]" 
    stop_

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

          1 1   3 ASP HA  1   5 GLU H    . . 5.000 3.807 3.040 4.164     .  0 0 "[    .    1    .    2    .  ]" 1 
          2 1   3 ASP QB  1   6 LEU H    . . 5.000 4.157 3.292 4.570     .  0 0 "[    .    1    .    2    .  ]" 1 
          3 1   4 LYS H   1   4 LYS HD2  . . 5.000 4.136 2.325 5.075 0.075 19 0 "[    .    1    .    2    .  ]" 1 
          4 1   4 LYS H   1   4 LYS HD3  . . 5.000 3.894 1.859 5.057 0.057  6 0 "[    .    1    .    2    .  ]" 1 
          5 1   4 LYS H   1   5 GLU H    . . 5.000 2.694 2.217 3.547     .  0 0 "[    .    1    .    2    .  ]" 1 
          6 1   4 LYS HA  1   4 LYS QD   . . 5.000 3.449 2.091 4.470     .  0 0 "[    .    1    .    2    .  ]" 1 
          7 1   4 LYS HA  1   6 LEU H    . . 5.000 4.575 3.292 5.082 0.082  9 0 "[    .    1    .    2    .  ]" 1 
          8 1   4 LYS QB  1   4 LYS QD   . . 3.300 2.264 2.120 2.535     .  0 0 "[    .    1    .    2    .  ]" 1 
          9 1   5 GLU H   1   5 GLU HA   . . 2.900 2.361 2.184 2.963 0.063 21 0 "[    .    1    .    2    .  ]" 1 
         10 1   5 GLU H   1   5 GLU HG2  . . 5.000 3.856 2.046 5.082 0.082  8 0 "[    .    1    .    2    .  ]" 1 
         11 1   5 GLU H   1   5 GLU HG3  . . 5.000 3.545 2.662 4.661     .  0 0 "[    .    1    .    2    .  ]" 1 
         12 1   5 GLU H   1   6 LEU H    . . 2.900 2.737 1.718 2.974 0.074  7 0 "[    .    1    .    2    .  ]" 1 
         13 1   5 GLU H   1   6 LEU QB   . . 5.880 4.406 3.506 4.774     .  0 0 "[    .    1    .    2    .  ]" 1 
         14 1   6 LEU H   1   7 LYS H    . . 5.000 4.451 4.206 4.641     .  0 0 "[    .    1    .    2    .  ]" 1 
         15 1   6 LEU HA  1   7 LYS H    . . 2.900 2.136 2.033 2.227     .  0 0 "[    .    1    .    2    .  ]" 1 
         16 1   6 LEU MD1 1   7 LYS H    . . 5.000 4.066 2.515 4.258     .  0 0 "[    .    1    .    2    .  ]" 1 
         17 1   6 LEU MD1 1  52 GLY H    . . 5.000 3.729 2.778 4.123     .  0 0 "[    .    1    .    2    .  ]" 1 
         18 1   6 LEU MD1 1  52 GLY QA   . . 3.300 2.057 1.908 2.251     .  0 0 "[    .    1    .    2    .  ]" 1 
         19 1   6 LEU MD2 1   7 LYS H    . . 5.000 3.961 3.332 4.283     .  0 0 "[    .    1    .    2    .  ]" 1 
         20 1   6 LEU MD2 1   8 PHE QD   . . 5.000 2.719 2.274 3.468     .  0 0 "[    .    1    .    2    .  ]" 1 
         21 1   6 LEU MD2 1   8 PHE HZ   . . 5.000 3.861 3.223 4.269     .  0 0 "[    .    1    .    2    .  ]" 1 
         22 1   6 LEU MD2 1  52 GLY H    . . 5.000 3.735 2.927 4.158     .  0 0 "[    .    1    .    2    .  ]" 1 
         23 1   6 LEU HG  1   7 LYS H    . . 3.300 2.849 2.638 3.007     .  0 0 "[    .    1    .    2    .  ]" 1 
         24 1   7 LYS H   1   8 PHE H    . . 5.000 4.562 4.403 4.695     .  0 0 "[    .    1    .    2    .  ]" 1 
         25 1   7 LYS H   1  51 TYR HA   . . 5.000 3.332 2.283 5.011 0.011 21 0 "[    .    1    .    2    .  ]" 1 
         26 1   7 LYS H   1  52 GLY H    . . 5.000 3.276 2.609 4.293     .  0 0 "[    .    1    .    2    .  ]" 1 
         27 1   7 LYS HA  1   8 PHE H    . . 2.900 2.243 2.086 2.464     .  0 0 "[    .    1    .    2    .  ]" 1 
         28 1   7 LYS HA  1  32 ASN QB   . . 3.300 2.685 1.996 3.109     .  0 0 "[    .    1    .    2    .  ]" 1 
         29 1   7 LYS HB2 1   8 PHE H    . . 5.000 3.971 2.010 4.420     .  0 0 "[    .    1    .    2    .  ]" 1 
         30 1   7 LYS HB2 1  51 TYR HA   . . 5.000 3.754 2.321 5.061 0.061 21 0 "[    .    1    .    2    .  ]" 1 
         31 1   7 LYS HB2 1  52 GLY H    . . 5.000 4.660 3.937 5.080 0.080  8 0 "[    .    1    .    2    .  ]" 1 
         32 1   7 LYS HB3 1   8 PHE H    . . 5.000 3.692 2.562 4.256     .  0 0 "[    .    1    .    2    .  ]" 1 
         33 1   7 LYS HB3 1  51 TYR HA   . . 5.000 3.065 2.047 5.081 0.081 21 0 "[    .    1    .    2    .  ]" 1 
         34 1   7 LYS HB3 1  52 GLY H    . . 5.000 3.974 2.865 5.086 0.086  9 0 "[    .    1    .    2    .  ]" 1 
         35 1   7 LYS QD  1   8 PHE H    . . 5.000 4.103 3.265 4.601     .  0 0 "[    .    1    .    2    .  ]" 1 
         36 1   7 LYS QE  1  34 GLU QG   . . 5.000 3.173 1.789 4.129     .  0 0 "[    .    1    .    2    .  ]" 1 
         37 1   7 LYS QE  1  51 TYR QE   . . 5.000 3.618 2.526 4.314     .  0 0 "[    .    1    .    2    .  ]" 1 
         38 1   7 LYS QG  1   8 PHE H    . . 3.300 2.655 2.373 3.085     .  0 0 "[    .    1    .    2    .  ]" 1 
         39 1   8 PHE H   1   9 LEU H    . . 5.000 4.311 3.894 4.626     .  0 0 "[    .    1    .    2    .  ]" 1 
         40 1   8 PHE H   1  33 VAL HA   . . 5.000 2.419 1.842 3.063     .  0 0 "[    .    1    .    2    .  ]" 1 
         41 1   8 PHE H   1  33 VAL QG   . . 5.000 3.626 2.614 3.980     .  0 0 "[    .    1    .    2    .  ]" 1 
         42 1   8 PHE HA  1   9 LEU H    . . 2.900 2.329 2.252 2.443     .  0 0 "[    .    1    .    2    .  ]" 1 
         43 1   8 PHE HA  1  53 PHE H    . . 5.000 2.981 2.381 3.633     .  0 0 "[    .    1    .    2    .  ]" 1 
         44 1   8 PHE QB  1  33 VAL QG   . . 5.000 2.078 1.929 2.264     .  0 0 "[    .    1    .    2    .  ]" 1 
         45 1   8 PHE QD  1  25 LEU MD1  . . 5.000 2.471 2.201 2.790     .  0 0 "[    .    1    .    2    .  ]" 1 
         46 1   8 PHE QD  1  25 LEU MD2  . . 5.000 3.116 2.546 3.694     .  0 0 "[    .    1    .    2    .  ]" 1 
         47 1   8 PHE QD  1  53 PHE QR   . . 5.000 3.388 3.099 3.621     .  0 0 "[    .    1    .    2    .  ]" 1 
         48 1   8 PHE QD  1  55 ILE MD   . . 5.000 2.071 1.953 2.238     .  0 0 "[    .    1    .    2    .  ]" 1 
         49 1   8 PHE QE  1  25 LEU MD2  . . 5.000 2.294 2.147 2.608     .  0 0 "[    .    1    .    2    .  ]" 1 
         50 1   8 PHE QE  1  55 ILE MD   . . 5.000 2.431 2.129 2.836     .  0 0 "[    .    1    .    2    .  ]" 1 
         51 1   8 PHE QE  1 120 LEU MD2  . . 5.000 2.891 2.133 3.718     .  0 0 "[    .    1    .    2    .  ]" 1 
         52 1   8 PHE HZ  1  25 LEU MD2  . . 5.000 3.112 2.519 3.714     .  0 0 "[    .    1    .    2    .  ]" 1 
         53 1   8 PHE HZ  1 120 LEU MD2  . . 5.000 2.812 2.344 3.491     .  0 0 "[    .    1    .    2    .  ]" 1 
         54 1   8 PHE O   1  34 GLU H    . . 1.800 1.921 1.774 2.073 0.273 19 0 "[    .    1    .    2    .  ]" 1 
         55 1   8 PHE O   1  34 GLU N    . . 2.700 2.818 2.729 2.948 0.248 19 0 "[    .    1    .    2    .  ]" 1 
         56 1   9 LEU H   1   9 LEU HA   . . 2.900 2.947 2.916 2.966 0.066  1 0 "[    .    1    .    2    .  ]" 1 
         57 1   9 LEU HA  1  10 VAL H    . . 2.900 2.216 2.097 2.280     .  0 0 "[    .    1    .    2    .  ]" 1 
         58 1   9 LEU HA  1  10 VAL MG2  . . 5.000 3.519 3.172 3.793     .  0 0 "[    .    1    .    2    .  ]" 1 
         59 1   9 LEU HA  1  34 GLU H    . . 5.000 2.755 2.376 3.329     .  0 0 "[    .    1    .    2    .  ]" 1 
         60 1   9 LEU MD1 1  10 VAL H    . . 5.000 2.711 2.311 3.232     .  0 0 "[    .    1    .    2    .  ]" 1 
         61 1   9 LEU MD1 1  34 GLU QB   . . 3.300 2.093 1.974 2.328     .  0 0 "[    .    1    .    2    .  ]" 1 
         62 1   9 LEU MD1 1  34 GLU QG   . . 5.000 3.461 2.281 3.792     .  0 0 "[    .    1    .    2    .  ]" 1 
         63 1   9 LEU MD1 1  35 GLU HA   . . 5.000 2.925 2.390 3.637     .  0 0 "[    .    1    .    2    .  ]" 1 
         64 1   9 LEU MD1 1  36 ALA MB   . . 5.000 2.365 2.065 2.848     .  0 0 "[    .    1    .    2    .  ]" 1 
         65 1   9 LEU MD1 1  42 ALA HA   . . 5.000 3.584 3.253 3.807     .  0 0 "[    .    1    .    2    .  ]" 1 
         66 1   9 LEU MD1 1  45 LYS QD   . . 5.000 3.067 2.209 3.654     .  0 0 "[    .    1    .    2    .  ]" 1 
         67 1   9 LEU MD1 1  45 LYS QG   . . 5.000 2.298 2.022 2.934     .  0 0 "[    .    1    .    2    .  ]" 1 
         68 1   9 LEU MD1 1  51 TYR QE   . . 5.000 2.479 2.099 3.138     .  0 0 "[    .    1    .    2    .  ]" 1 
         69 1   9 LEU MD2 1  10 VAL H    . . 5.000 4.273 4.219 4.300     .  0 0 "[    .    1    .    2    .  ]" 1 
         70 1   9 LEU MD2 1  11 VAL MG2  . . 5.000 2.222 2.080 2.433     .  0 0 "[    .    1    .    2    .  ]" 1 
         71 1   9 LEU MD2 1  36 ALA MB   . . 5.000 2.467 2.187 2.727     .  0 0 "[    .    1    .    2    .  ]" 1 
         72 1   9 LEU MD2 1  42 ALA HA   . . 3.300 2.106 1.960 2.355     .  0 0 "[    .    1    .    2    .  ]" 1 
         73 1   9 LEU MD2 1  42 ALA MB   . . 5.000 2.235 2.029 2.530     .  0 0 "[    .    1    .    2    .  ]" 1 
         74 1   9 LEU MD2 1  45 LYS QG   . . 5.000 3.062 2.376 3.497     .  0 0 "[    .    1    .    2    .  ]" 1 
         75 1   9 LEU MD2 1  46 LEU MD2  . . 3.300 2.085 1.970 2.197     .  0 0 "[    .    1    .    2    .  ]" 1 
         76 1   9 LEU HG  1  10 VAL H    . . 5.000 2.678 2.558 2.781     .  0 0 "[    .    1    .    2    .  ]" 1 
         77 1   9 LEU HG  1  11 VAL QG   . . 5.000 2.136 2.023 2.642     .  0 0 "[    .    1    .    2    .  ]" 1 
         78 1  10 VAL H   1  10 VAL HB   . . 2.900 2.742 2.511 2.909 0.009 26 0 "[    .    1    .    2    .  ]" 1 
         79 1  10 VAL H   1  34 GLU HB2  . . 5.000 4.733 4.003 5.082 0.082 24 0 "[    .    1    .    2    .  ]" 1 
         80 1  10 VAL H   1  34 GLU HB3  . . 5.000 4.439 3.551 5.088 0.088 21 0 "[    .    1    .    2    .  ]" 1 
         81 1  10 VAL H   1  34 GLU O    . . 1.800 2.012 1.870 2.083 0.283 13 0 "[    .    1    .    2    .  ]" 1 
         82 1  10 VAL H   1  35 GLU HA   . . 3.300 2.652 1.997 3.364 0.064  7 0 "[    .    1    .    2    .  ]" 1 
         83 1  10 VAL HA  1  11 VAL H    . . 2.900 2.214 2.171 2.302     .  0 0 "[    .    1    .    2    .  ]" 1 
         84 1  10 VAL HA  1  55 ILE H    . . 5.000 3.262 2.956 3.678     .  0 0 "[    .    1    .    2    .  ]" 1 
         85 1  10 VAL HB  1  21 VAL HB   . . 5.000 4.903 4.557 5.084 0.084 23 0 "[    .    1    .    2    .  ]" 1 
         86 1  10 VAL HB  1  35 GLU QG   . . 5.000 3.635 2.195 4.576     .  0 0 "[    .    1    .    2    .  ]" 1 
         87 1  10 VAL MG1 1  11 VAL H    . . 5.000 3.227 2.942 3.603     .  0 0 "[    .    1    .    2    .  ]" 1 
         88 1  10 VAL MG1 1  18 ARG HA   . . 3.300 2.453 2.036 2.821     .  0 0 "[    .    1    .    2    .  ]" 1 
         89 1  10 VAL MG1 1  18 ARG QG   . . 5.000 2.575 2.017 3.729     .  0 0 "[    .    1    .    2    .  ]" 1 
         90 1  10 VAL MG1 1  55 ILE MG   . . 5.000 2.713 2.138 3.135     .  0 0 "[    .    1    .    2    .  ]" 1 
         91 1  10 VAL MG2 1  22 ARG HA   . . 5.000 3.739 2.897 4.146     .  0 0 "[    .    1    .    2    .  ]" 1 
         92 1  10 VAL MG2 1  55 ILE MD   . . 5.000 2.667 2.108 3.277     .  0 0 "[    .    1    .    2    .  ]" 1 
         93 1  10 VAL N   1  34 GLU O    . . 2.700 2.923 2.810 3.037 0.337 14 0 "[    .    1    .    2    .  ]" 1 
         94 1  11 VAL H   1  11 VAL MG2  . . 3.300 2.505 2.057 2.617     .  0 0 "[    .    1    .    2    .  ]" 1 
         95 1  11 VAL H   1  12 ASP H    . . 5.000 3.347 2.674 4.136     .  0 0 "[    .    1    .    2    .  ]" 1 
         96 1  11 VAL H   1  55 ILE HB   . . 5.000 3.964 3.592 4.399     .  0 0 "[    .    1    .    2    .  ]" 1 
         97 1  11 VAL H   1  55 ILE O    . . 1.800 1.905 1.810 2.054 0.254 19 0 "[    .    1    .    2    .  ]" 1 
         98 1  11 VAL H   1  56 SER HA   . . 5.000 2.455 2.164 2.746     .  0 0 "[    .    1    .    2    .  ]" 1 
         99 1  11 VAL HA  1  11 VAL MG1  . . 3.300 2.265 2.198 2.332     .  0 0 "[    .    1    .    2    .  ]" 1 
        100 1  11 VAL HA  1  12 ASP H    . . 2.900 2.505 2.200 2.907 0.007  8 0 "[    .    1    .    2    .  ]" 1 
        101 1  11 VAL HA  1  36 ALA H    . . 3.300 3.136 2.398 3.385 0.085  7 0 "[    .    1    .    2    .  ]" 1 
        102 1  11 VAL HA  1  36 ALA MB   . . 5.000 3.865 2.349 4.027     .  0 0 "[    .    1    .    2    .  ]" 1 
        103 1  11 VAL HB  1  39 GLY H    . . 5.000 5.063 4.934 5.089 0.089 25 0 "[    .    1    .    2    .  ]" 1 
        104 1  11 VAL HB  1  42 ALA MB   . . 5.000 3.273 2.771 3.822     .  0 0 "[    .    1    .    2    .  ]" 1 
        105 1  11 VAL HB  1  56 SER HA   . . 5.000 3.008 2.365 3.630     .  0 0 "[    .    1    .    2    .  ]" 1 
        106 1  11 VAL HB  1  57 ASP H    . . 5.000 3.784 2.803 4.342     .  0 0 "[    .    1    .    2    .  ]" 1 
        107 1  11 VAL QG  1  36 ALA H    . . 5.000 2.377 1.884 3.442     .  0 0 "[    .    1    .    2    .  ]" 1 
        108 1  11 VAL QG  1  42 ALA HA   . . 5.000 2.882 2.528 3.244     .  0 0 "[    .    1    .    2    .  ]" 1 
        109 1  11 VAL QG  1  42 ALA MB   . . 5.000 1.895 1.790 1.992     .  0 0 "[    .    1    .    2    .  ]" 1 
        110 1  11 VAL QG  1  56 SER HA   . . 5.000 3.565 2.719 3.951     .  0 0 "[    .    1    .    2    .  ]" 1 
        111 1  11 VAL MG1 1  36 ALA MB   . . 5.000 2.103 1.990 2.222     .  0 0 "[    .    1    .    2    .  ]" 1 
        112 1  11 VAL MG1 1  38 ASP H    . . 3.300 2.810 2.694 2.857     .  0 0 "[    .    1    .    2    .  ]" 1 
        113 1  11 VAL MG1 1  39 GLY H    . . 5.000 3.315 2.874 3.554     .  0 0 "[    .    1    .    2    .  ]" 1 
        114 1  11 VAL MG1 1  42 ALA H    . . 5.000 3.606 3.341 3.920     .  0 0 "[    .    1    .    2    .  ]" 1 
        115 1  11 VAL MG2 1  42 ALA H    . . 5.000 3.922 3.845 4.075     .  0 0 "[    .    1    .    2    .  ]" 1 
        116 1  11 VAL N   1  55 ILE O    . . 2.700 2.875 2.798 2.964 0.264 15 0 "[    .    1    .    2    .  ]" 1 
        117 1  11 VAL O   1  57 ASP H    . . 1.800 1.995 1.863 2.074 0.274  7 0 "[    .    1    .    2    .  ]" 1 
        118 1  11 VAL O   1  57 ASP N    . . 2.700 2.947 2.801 3.068 0.368 22 0 "[    .    1    .    2    .  ]" 1 
        119 1  12 ASP H   1  13 ASP H    . . 5.000 4.564 4.227 4.743     .  0 0 "[    .    1    .    2    .  ]" 1 
        120 1  12 ASP HA  1  13 ASP H    . . 2.900 2.341 2.161 2.534     .  0 0 "[    .    1    .    2    .  ]" 1 
        121 1  12 ASP HA  1  57 ASP H    . . 5.000 2.601 1.992 3.989     .  0 0 "[    .    1    .    2    .  ]" 1 
        122 1  12 ASP QB  1  18 ARG H    . . 5.000 3.173 2.328 4.355     .  0 0 "[    .    1    .    2    .  ]" 1 
        123 1  13 ASP H   1  14 PHE H    . . 3.300 2.628 2.288 3.041     .  0 0 "[    .    1    .    2    .  ]" 1 
        124 1  13 ASP QB  1  57 ASP QB   . . 3.300 2.516 2.123 2.838     .  0 0 "[    .    1    .    2    .  ]" 1 
        125 1  14 PHE H   1  14 PHE HB2  . . 3.300 2.748 2.309 3.256     .  0 0 "[    .    1    .    2    .  ]" 1 
        126 1  14 PHE H   1  14 PHE HB3  . . 3.300 2.422 2.220 2.752     .  0 0 "[    .    1    .    2    .  ]" 1 
        127 1  14 PHE QB  1  17 MET QB   . . 5.000 2.175 1.951 3.210     .  0 0 "[    .    1    .    2    .  ]" 1 
        128 1  14 PHE QB  1  17 MET QG   . . 5.000 3.723 3.325 4.062     .  0 0 "[    .    1    .    2    .  ]" 1 
        129 1  14 PHE HB2 1  17 MET H    . . 5.000 4.434 3.761 5.073 0.073 26 0 "[    .    1    .    2    .  ]" 1 
        130 1  14 PHE HB3 1  17 MET H    . . 5.000 2.955 2.192 3.499     .  0 0 "[    .    1    .    2    .  ]" 1 
        131 1  14 PHE QR  1  16 THR HB   . . 5.000 2.631 2.319 2.870     .  0 0 "[    .    1    .    2    .  ]" 1 
        132 1  14 PHE QR  1  16 THR MG   . . 5.000 2.928 2.370 3.490     .  0 0 "[    .    1    .    2    .  ]" 1 
        133 1  15 SER O   1  18 ARG H    . . 1.800 2.084 2.071 2.094 0.294 18 0 "[    .    1    .    2    .  ]" 1 
        134 1  15 SER O   1  18 ARG N    . . 2.700 2.857 2.780 2.969 0.269 11 0 "[    .    1    .    2    .  ]" 1 
        135 1  16 THR HA  1  19 ARG QD   . . 5.000 3.418 2.039 4.583     .  0 0 "[    .    1    .    2    .  ]" 1 
        136 1  16 THR HA  1  19 ARG QG   . . 5.000 3.367 2.200 4.436     .  0 0 "[    .    1    .    2    .  ]" 1 
        137 1  16 THR HB  1  17 MET H    . . 5.000 2.966 2.519 3.379     .  0 0 "[    .    1    .    2    .  ]" 1 
        138 1  16 THR MG  1  17 MET H    . . 5.000 3.707 3.349 4.013     .  0 0 "[    .    1    .    2    .  ]" 1 
        139 1  16 THR MG  1  19 ARG QB   . . 5.000 3.208 2.887 3.590     .  0 0 "[    .    1    .    2    .  ]" 1 
        140 1  16 THR MG  1  20 ILE H    . . 5.000 3.843 3.561 4.025     .  0 0 "[    .    1    .    2    .  ]" 1 
        141 1  16 THR MG  1  20 ILE MD   . . 3.300 2.082 1.985 2.183     .  0 0 "[    .    1    .    2    .  ]" 1 
        142 1  16 THR O   1  20 ILE H    . . 1.800 1.931 1.825 2.073 0.273  4 0 "[    .    1    .    2    .  ]" 1 
        143 1  16 THR O   1  20 ILE N    . . 2.700 2.920 2.823 3.063 0.363  4 0 "[    .    1    .    2    .  ]" 1 
        144 1  17 MET H   1  17 MET HB2  . . 3.300 2.243 1.990 2.650     .  0 0 "[    .    1    .    2    .  ]" 1 
        145 1  17 MET H   1  17 MET HB3  . . 3.300 2.909 2.492 3.381 0.081 15 0 "[    .    1    .    2    .  ]" 1 
        146 1  17 MET H   1  17 MET HG2  . . 5.000 4.428 3.921 4.683     .  0 0 "[    .    1    .    2    .  ]" 1 
        147 1  17 MET H   1  17 MET HG3  . . 5.000 4.133 3.285 4.532     .  0 0 "[    .    1    .    2    .  ]" 1 
        148 1  17 MET H   1  18 ARG H    . . 3.300 2.668 2.515 2.952     .  0 0 "[    .    1    .    2    .  ]" 1 
        149 1  17 MET H   1  20 ILE HB   . . 5.000 4.873 4.642 5.061 0.061 25 0 "[    .    1    .    2    .  ]" 1 
        150 1  17 MET HA  1  20 ILE H    . . 5.000 3.303 2.844 3.729     .  0 0 "[    .    1    .    2    .  ]" 1 
        151 1  17 MET HA  1  20 ILE HB   . . 3.300 2.359 2.074 2.690     .  0 0 "[    .    1    .    2    .  ]" 1 
        152 1  17 MET HA  1  20 ILE MD   . . 5.000 3.401 2.465 3.973     .  0 0 "[    .    1    .    2    .  ]" 1 
        153 1  17 MET HA  1  20 ILE QG   . . 5.000 3.929 3.413 4.361     .  0 0 "[    .    1    .    2    .  ]" 1 
        154 1  17 MET HA  1  20 ILE MG   . . 5.000 3.506 3.264 3.774     .  0 0 "[    .    1    .    2    .  ]" 1 
        155 1  17 MET QG  1  20 ILE HB   . . 5.000 3.685 2.788 4.266     .  0 0 "[    .    1    .    2    .  ]" 1 
        156 1  17 MET QG  1  21 VAL MG2  . . 5.000 2.947 2.222 3.731     .  0 0 "[    .    1    .    2    .  ]" 1 
        157 1  17 MET O   1  21 VAL H    . . 1.800 1.824 1.747 1.953 0.153 27 0 "[    .    1    .    2    .  ]" 1 
        158 1  17 MET O   1  21 VAL N    . . 2.700 2.820 2.733 2.963 0.263 27 0 "[    .    1    .    2    .  ]" 1 
        159 1  18 ARG H   1  18 ARG QB   . . 2.900 2.288 2.042 2.569     .  0 0 "[    .    1    .    2    .  ]" 1 
        160 1  18 ARG H   1  19 ARG H    . . 2.900 2.523 2.351 2.666     .  0 0 "[    .    1    .    2    .  ]" 1 
        161 1  18 ARG HA  1  21 VAL H    . . 5.000 3.475 3.018 4.023     .  0 0 "[    .    1    .    2    .  ]" 1 
        162 1  18 ARG HA  1  21 VAL HB   . . 5.000 2.627 2.288 3.240     .  0 0 "[    .    1    .    2    .  ]" 1 
        163 1  18 ARG HA  1  21 VAL MG2  . . 5.000 3.452 3.031 4.133     .  0 0 "[    .    1    .    2    .  ]" 1 
        164 1  18 ARG O   1  22 ARG H    . . 1.800 1.912 1.742 2.080 0.280 12 0 "[    .    1    .    2    .  ]" 1 
        165 1  18 ARG O   1  22 ARG N    . . 2.700 2.908 2.735 3.070 0.370  8 0 "[    .    1    .    2    .  ]" 1 
        166 1  19 ARG H   1  19 ARG QB   . . 3.300 2.377 2.081 2.710     .  0 0 "[    .    1    .    2    .  ]" 1 
        167 1  19 ARG H   1  19 ARG QD   . . 5.000 2.981 2.048 4.281     .  0 0 "[    .    1    .    2    .  ]" 1 
        168 1  19 ARG H   1  19 ARG HG2  . . 5.000 3.643 1.991 4.590     .  0 0 "[    .    1    .    2    .  ]" 1 
        169 1  19 ARG H   1  19 ARG HG3  . . 5.000 3.895 2.971 4.550     .  0 0 "[    .    1    .    2    .  ]" 1 
        170 1  19 ARG HA  1  19 ARG QD   . . 3.300 2.607 2.162 3.037     .  0 0 "[    .    1    .    2    .  ]" 1 
        171 1  19 ARG HA  1  22 ARG H    . . 5.000 3.827 3.396 4.254     .  0 0 "[    .    1    .    2    .  ]" 1 
        172 1  19 ARG HA  1  23 ASN H    . . 5.000 4.011 3.799 4.291     .  0 0 "[    .    1    .    2    .  ]" 1 
        173 1  19 ARG QB  1  19 ARG QD   . . 3.300 2.331 2.109 2.546     .  0 0 "[    .    1    .    2    .  ]" 1 
        174 1  19 ARG O   1  23 ASN H    . . 1.800 1.986 1.821 2.076 0.276  5 0 "[    .    1    .    2    .  ]" 1 
        175 1  19 ARG O   1  23 ASN N    . . 2.700 2.939 2.783 3.045 0.345  3 0 "[    .    1    .    2    .  ]" 1 
        176 1  20 ILE H   1  20 ILE HB   . . 2.900 2.218 2.125 2.371     .  0 0 "[    .    1    .    2    .  ]" 1 
        177 1  20 ILE H   1  20 ILE MD   . . 3.300 2.397 2.224 2.541     .  0 0 "[    .    1    .    2    .  ]" 1 
        178 1  20 ILE H   1  20 ILE HG12 . . 5.000 4.046 3.812 4.192     .  0 0 "[    .    1    .    2    .  ]" 1 
        179 1  20 ILE H   1  20 ILE HG13 . . 5.000 3.968 3.844 4.050     .  0 0 "[    .    1    .    2    .  ]" 1 
        180 1  20 ILE H   1  21 VAL H    . . 3.300 3.045 2.906 3.155     .  0 0 "[    .    1    .    2    .  ]" 1 
        181 1  20 ILE HA  1  20 ILE MD   . . 3.300 2.515 2.329 2.616     .  0 0 "[    .    1    .    2    .  ]" 1 
        182 1  20 ILE HA  1  20 ILE MG   . . 3.300 2.734 2.667 2.770     .  0 0 "[    .    1    .    2    .  ]" 1 
        183 1  20 ILE HA  1  23 ASN H    . . 5.000 3.571 3.366 3.861     .  0 0 "[    .    1    .    2    .  ]" 1 
        184 1  20 ILE HA  1  23 ASN QB   . . 5.000 2.710 2.457 3.096     .  0 0 "[    .    1    .    2    .  ]" 1 
        185 1  20 ILE HB  1  21 VAL H    . . 2.900 2.775 2.575 2.901 0.001 18 0 "[    .    1    .    2    .  ]" 1 
        186 1  20 ILE HB  1  21 VAL MG2  . . 5.000 3.755 3.447 3.931     .  0 0 "[    .    1    .    2    .  ]" 1 
        187 1  20 ILE QG  1  20 ILE MG   . . 3.300 2.045 2.022 2.071     .  0 0 "[    .    1    .    2    .  ]" 1 
        188 1  20 ILE MG  1  21 VAL H    . . 3.300 2.482 2.458 2.513     .  0 0 "[    .    1    .    2    .  ]" 1 
        189 1  20 ILE MG  1  21 VAL HA   . . 5.000 3.020 2.855 3.217     .  0 0 "[    .    1    .    2    .  ]" 1 
        190 1  20 ILE MG  1  21 VAL MG2  . . 5.000 2.691 2.468 2.932     .  0 0 "[    .    1    .    2    .  ]" 1 
        191 1  20 ILE MG  1  24 LEU MD1  . . 3.300 2.120 2.038 2.170     .  0 0 "[    .    1    .    2    .  ]" 1 
        192 1  20 ILE MG  1 111 PHE QR   . . 5.000 2.226 2.034 2.774     .  0 0 "[    .    1    .    2    .  ]" 1 
        193 1  20 ILE O   1  24 LEU H    . . 1.800 1.848 1.757 1.983 0.183 11 0 "[    .    1    .    2    .  ]" 1 
        194 1  20 ILE O   1  24 LEU N    . . 2.700 2.838 2.771 2.969 0.269 11 0 "[    .    1    .    2    .  ]" 1 
        195 1  21 VAL H   1  21 VAL MG2  . . 2.900 2.122 2.024 2.156     .  0 0 "[    .    1    .    2    .  ]" 1 
        196 1  21 VAL H   1  22 ARG H    . . 3.300 3.051 2.948 3.149     .  0 0 "[    .    1    .    2    .  ]" 1 
        197 1  21 VAL HA  1  21 VAL MG2  . . 3.300 2.353 2.307 2.448     .  0 0 "[    .    1    .    2    .  ]" 1 
        198 1  21 VAL HA  1  24 LEU MD1  . . 3.300 2.350 2.127 2.461     .  0 0 "[    .    1    .    2    .  ]" 1 
        199 1  21 VAL HA  1  25 LEU H    . . 5.000 3.960 3.823 4.112     .  0 0 "[    .    1    .    2    .  ]" 1 
        200 1  21 VAL MG1 1  22 ARG H    . . 5.000 3.290 3.121 3.489     .  0 0 "[    .    1    .    2    .  ]" 1 
        201 1  21 VAL MG1 1  25 LEU H    . . 5.000 4.060 4.018 4.074     .  0 0 "[    .    1    .    2    .  ]" 1 
        202 1  21 VAL MG1 1  25 LEU HG   . . 5.000 3.253 2.996 3.698     .  0 0 "[    .    1    .    2    .  ]" 1 
        203 1  21 VAL MG1 1  55 ILE HB   . . 5.000 3.472 3.099 3.886     .  0 0 "[    .    1    .    2    .  ]" 1 
        204 1  21 VAL MG1 1  55 ILE MD   . . 5.000 2.663 2.114 3.348     .  0 0 "[    .    1    .    2    .  ]" 1 
        205 1  21 VAL MG1 1  55 ILE MG   . . 5.000 2.223 2.038 2.444     .  0 0 "[    .    1    .    2    .  ]" 1 
        206 1  21 VAL MG2 1  22 ARG H    . . 5.000 4.045 3.907 4.202     .  0 0 "[    .    1    .    2    .  ]" 1 
        207 1  21 VAL MG2 1  55 ILE MG   . . 5.000 3.093 2.706 3.310     .  0 0 "[    .    1    .    2    .  ]" 1 
        208 1  21 VAL MG2 1  86 VAL MG1  . . 3.300 2.075 1.964 2.139     .  0 0 "[    .    1    .    2    .  ]" 1 
        209 1  21 VAL MG2 1  86 VAL MG2  . . 5.000 3.131 2.579 3.250     .  0 0 "[    .    1    .    2    .  ]" 1 
        210 1  21 VAL MG2 1 111 PHE QR   . . 5.000 2.206 1.998 2.519     .  0 0 "[    .    1    .    2    .  ]" 1 
        211 1  21 VAL O   1  25 LEU H    . . 1.800 1.911 1.834 1.966 0.166 12 0 "[    .    1    .    2    .  ]" 1 
        212 1  21 VAL O   1  25 LEU N    . . 2.700 2.880 2.803 2.962 0.262 12 0 "[    .    1    .    2    .  ]" 1 
        213 1  22 ARG H   1  22 ARG HB2  . . 3.300 2.426 2.107 2.594     .  0 0 "[    .    1    .    2    .  ]" 1 
        214 1  22 ARG H   1  22 ARG HB3  . . 3.300 2.681 2.304 3.393 0.093  8 0 "[    .    1    .    2    .  ]" 1 
        215 1  22 ARG H   1  23 ASN H    . . 3.300 2.805 2.646 2.970     .  0 0 "[    .    1    .    2    .  ]" 1 
        216 1  22 ARG HA  1  22 ARG QG   . . 3.300 2.414 2.220 2.582     .  0 0 "[    .    1    .    2    .  ]" 1 
        217 1  22 ARG HA  1  25 LEU H    . . 5.000 3.495 3.266 3.735     .  0 0 "[    .    1    .    2    .  ]" 1 
        218 1  22 ARG HA  1  25 LEU MD1  . . 5.000 2.531 2.157 2.824     .  0 0 "[    .    1    .    2    .  ]" 1 
        219 1  22 ARG HA  1  33 VAL QG   . . 5.000 2.657 2.168 3.613     .  0 0 "[    .    1    .    2    .  ]" 1 
        220 1  22 ARG QB  1  33 VAL QG   . . 5.000 2.635 2.011 3.361     .  0 0 "[    .    1    .    2    .  ]" 1 
        221 1  22 ARG HB2 1  23 ASN H    . . 5.000 3.775 2.615 4.237     .  0 0 "[    .    1    .    2    .  ]" 1 
        222 1  22 ARG HB3 1  23 ASN H    . . 5.000 2.747 2.485 3.498     .  0 0 "[    .    1    .    2    .  ]" 1 
        223 1  22 ARG QD  1  33 VAL QG   . . 5.000 2.675 2.044 3.331     .  0 0 "[    .    1    .    2    .  ]" 1 
        224 1  22 ARG QG  1  23 ASN H    . . 5.000 4.041 3.445 4.584     .  0 0 "[    .    1    .    2    .  ]" 1 
        225 1  22 ARG QG  1  33 VAL QG   . . 3.300 1.884 1.759 2.113     .  0 0 "[    .    1    .    2    .  ]" 1 
        226 1  22 ARG O   1  26 LYS H    . . 1.800 1.954 1.753 2.077 0.277  8 0 "[    .    1    .    2    .  ]" 1 
        227 1  22 ARG O   1  26 LYS N    . . 2.700 2.924 2.736 3.059 0.359 16 0 "[    .    1    .    2    .  ]" 1 
        228 1  23 ASN H   1  23 ASN HB2  . . 3.300 2.494 2.127 2.840     .  0 0 "[    .    1    .    2    .  ]" 1 
        229 1  23 ASN H   1  23 ASN HB3  . . 3.300 2.673 2.319 3.393 0.093 16 0 "[    .    1    .    2    .  ]" 1 
        230 1  23 ASN H   1  24 LEU H    . . 3.300 2.720 2.560 2.850     .  0 0 "[    .    1    .    2    .  ]" 1 
        231 1  23 ASN HA  1  26 LYS H    . . 5.000 3.379 3.000 3.674     .  0 0 "[    .    1    .    2    .  ]" 1 
        232 1  23 ASN HA  1  26 LYS QB   . . 5.000 2.802 2.280 4.286     .  0 0 "[    .    1    .    2    .  ]" 1 
        233 1  23 ASN HA  1  27 GLU H    . . 5.000 4.120 3.734 4.416     .  0 0 "[    .    1    .    2    .  ]" 1 
        234 1  23 ASN HB2 1  24 LEU H    . . 5.000 3.736 2.340 4.094     .  0 0 "[    .    1    .    2    .  ]" 1 
        235 1  23 ASN HB3 1  24 LEU H    . . 5.000 2.680 2.348 3.432     .  0 0 "[    .    1    .    2    .  ]" 1 
        236 1  23 ASN O   1  27 GLU H    . . 1.800 1.963 1.760 2.077 0.277  4 0 "[    .    1    .    2    .  ]" 1 
        237 1  23 ASN O   1  27 GLU N    . . 2.700 2.879 2.745 3.052 0.352 16 0 "[    .    1    .    2    .  ]" 1 
        238 1  24 LEU H   1  24 LEU MD2  . . 5.000 3.237 2.665 3.761     .  0 0 "[    .    1    .    2    .  ]" 1 
        239 1  24 LEU H   1  25 LEU H    . . 3.300 2.734 2.579 2.893     .  0 0 "[    .    1    .    2    .  ]" 1 
        240 1  24 LEU HA  1  27 GLU H    . . 5.000 3.382 3.028 3.772     .  0 0 "[    .    1    .    2    .  ]" 1 
        241 1  24 LEU HA  1  28 LEU HG   . . 5.000 4.685 4.221 5.026 0.026 25 0 "[    .    1    .    2    .  ]" 1 
        242 1  24 LEU HA  1 113 ALA MB   . . 5.000 2.741 2.292 3.197     .  0 0 "[    .    1    .    2    .  ]" 1 
        243 1  24 LEU QB  1  25 LEU H    . . 5.000 2.574 2.406 2.819     .  0 0 "[    .    1    .    2    .  ]" 1 
        244 1  24 LEU QB  1 113 ALA MB   . . 5.000 2.797 2.342 3.290     .  0 0 "[    .    1    .    2    .  ]" 1 
        245 1  24 LEU QB  1 116 LEU QB   . . 5.880 2.792 2.341 3.245     .  0 0 "[    .    1    .    2    .  ]" 1 
        246 1  24 LEU MD1 1 111 PHE QR   . . 5.000 2.030 1.904 2.308     .  0 0 "[    .    1    .    2    .  ]" 1 
        247 1  24 LEU MD1 1 113 ALA HA   . . 5.000 3.376 2.603 4.010     .  0 0 "[    .    1    .    2    .  ]" 1 
        248 1  24 LEU MD2 1 112 THR MG   . . 5.000 3.055 2.404 3.290     .  0 0 "[    .    1    .    2    .  ]" 1 
        249 1  25 LEU H   1  25 LEU MD1  . . 5.000 3.355 3.170 3.564     .  0 0 "[    .    1    .    2    .  ]" 1 
        250 1  25 LEU H   1  25 LEU MD2  . . 5.000 4.006 3.839 4.237     .  0 0 "[    .    1    .    2    .  ]" 1 
        251 1  25 LEU H   1  25 LEU HG   . . 3.300 2.765 2.524 3.315 0.015 11 0 "[    .    1    .    2    .  ]" 1 
        252 1  25 LEU H   1  26 LYS H    . . 3.300 2.770 2.546 3.041     .  0 0 "[    .    1    .    2    .  ]" 1 
        253 1  25 LEU HA  1  25 LEU MD2  . . 3.300 2.205 2.114 2.365     .  0 0 "[    .    1    .    2    .  ]" 1 
        254 1  25 LEU HA  1  28 LEU H    . . 5.000 3.598 3.183 4.243     .  0 0 "[    .    1    .    2    .  ]" 1 
        255 1  25 LEU HA  1  28 LEU MD1  . . 5.000 3.074 2.448 3.772     .  0 0 "[    .    1    .    2    .  ]" 1 
        256 1  25 LEU QB  1  26 LYS H    . . 3.300 2.578 2.295 2.935     .  0 0 "[    .    1    .    2    .  ]" 1 
        257 1  25 LEU QB  1  26 LYS QG   . . 5.000 3.577 3.054 3.981     .  0 0 "[    .    1    .    2    .  ]" 1 
        258 1  25 LEU MD1 1  55 ILE MD   . . 5.000 2.210 1.985 2.685     .  0 0 "[    .    1    .    2    .  ]" 1 
        259 1  25 LEU MD1 1 116 LEU MD2  . . 5.000 3.096 3.005 3.218     .  0 0 "[    .    1    .    2    .  ]" 1 
        260 1  25 LEU MD2 1  30 PHE QD   . . 5.000 2.672 2.216 3.732     .  0 0 "[    .    1    .    2    .  ]" 1 
        261 1  25 LEU MD2 1  55 ILE MD   . . 5.000 3.039 2.597 3.359     .  0 0 "[    .    1    .    2    .  ]" 1 
        262 1  25 LEU MD2 1 116 LEU MD1  . . 5.000 2.056 1.953 2.173     .  0 0 "[    .    1    .    2    .  ]" 1 
        263 1  25 LEU MD2 1 116 LEU MD2  . . 5.000 3.012 2.575 3.233     .  0 0 "[    .    1    .    2    .  ]" 1 
        264 1  25 LEU MD2 1 120 LEU MD1  . . 5.000 2.680 2.302 3.133     .  0 0 "[    .    1    .    2    .  ]" 1 
        265 1  25 LEU MD2 1 120 LEU MD2  . . 5.000 2.962 2.416 3.279     .  0 0 "[    .    1    .    2    .  ]" 1 
        266 1  25 LEU HG  1 116 LEU MD2  . . 5.000 2.550 2.260 2.886     .  0 0 "[    .    1    .    2    .  ]" 1 
        267 1  26 LYS H   1  26 LYS HA   . . 2.900 2.861 2.772 2.924 0.024  8 0 "[    .    1    .    2    .  ]" 1 
        268 1  26 LYS HA  1  26 LYS QE   . . 5.000 3.557 1.859 4.417     .  0 0 "[    .    1    .    2    .  ]" 1 
        269 1  26 LYS HA  1  28 LEU H    . . 5.000 4.061 3.237 4.831     .  0 0 "[    .    1    .    2    .  ]" 1 
        270 1  26 LYS HA  1  29 GLY H    . . 5.000 3.303 2.420 4.663     .  0 0 "[    .    1    .    2    .  ]" 1 
        271 1  26 LYS HA  1  30 PHE H    . . 5.000 3.955 2.504 5.080 0.080  7 0 "[    .    1    .    2    .  ]" 1 
        272 1  26 LYS QB  1  27 GLU H    . . 5.000 3.051 2.624 3.903     .  0 0 "[    .    1    .    2    .  ]" 1 
        273 1  26 LYS QE  1  31 ASN QB   . . 5.000 3.134 1.991 4.061     .  0 0 "[    .    1    .    2    .  ]" 1 
        274 1  27 GLU H   1  27 GLU HA   . . 2.900 2.849 2.806 2.899     .  0 0 "[    .    1    .    2    .  ]" 1 
        275 1  27 GLU H   1  27 GLU QG   . . 3.300 2.451 2.180 3.091     .  0 0 "[    .    1    .    2    .  ]" 1 
        276 1  27 GLU H   1  28 LEU H    . . 3.300 2.760 2.588 3.106     .  0 0 "[    .    1    .    2    .  ]" 1 
        277 1  27 GLU QB  1 113 ALA MB   . . 5.000 2.802 2.269 3.865     .  0 0 "[    .    1    .    2    .  ]" 1 
        278 1  27 GLU HB2 1  28 LEU H    . . 5.000 2.956 2.236 4.408     .  0 0 "[    .    1    .    2    .  ]" 1 
        279 1  27 GLU HB3 1  28 LEU H    . . 5.000 3.693 3.092 4.425     .  0 0 "[    .    1    .    2    .  ]" 1 
        280 1  27 GLU QG  1 113 ALA MB   . . 5.000 3.011 2.131 3.731     .  0 0 "[    .    1    .    2    .  ]" 1 
        281 1  27 GLU HG2 1  28 LEU H    . . 5.000 4.444 3.471 4.787     .  0 0 "[    .    1    .    2    .  ]" 1 
        282 1  27 GLU HG3 1  28 LEU H    . . 5.000 4.567 2.450 5.084 0.084  9 0 "[    .    1    .    2    .  ]" 1 
        283 1  28 LEU H   1  28 LEU HA   . . 2.900 2.925 2.847 2.971 0.071  9 0 "[    .    1    .    2    .  ]" 1 
        284 1  28 LEU H   1  28 LEU MD1  . . 5.000 3.292 2.353 3.798     .  0 0 "[    .    1    .    2    .  ]" 1 
        285 1  28 LEU H   1  28 LEU MD2  . . 5.000 3.831 3.234 4.295     .  0 0 "[    .    1    .    2    .  ]" 1 
        286 1  28 LEU H   1  28 LEU HG   . . 2.900 2.574 2.171 2.980 0.080 20 0 "[    .    1    .    2    .  ]" 1 
        287 1  28 LEU H   1  29 GLY H    . . 3.300 2.494 1.980 3.380 0.080 27 0 "[    .    1    .    2    .  ]" 1 
        288 1  28 LEU QB  1 117 GLU QB   . . 5.000 3.713 3.253 3.950     .  0 0 "[    .    1    .    2    .  ]" 1 
        289 1  28 LEU MD1 1 113 ALA MB   . . 5.000 2.599 2.205 3.082     .  0 0 "[    .    1    .    2    .  ]" 1 
        290 1  28 LEU MD1 1 117 GLU QB   . . 5.000 2.096 1.987 2.161     .  0 0 "[    .    1    .    2    .  ]" 1 
        291 1  28 LEU MD1 1 117 GLU QG   . . 5.000 3.484 3.034 3.652     .  0 0 "[    .    1    .    2    .  ]" 1 
        292 1  28 LEU MD2 1 117 GLU QB   . . 3.300 2.082 1.953 2.184     .  0 0 "[    .    1    .    2    .  ]" 1 
        293 1  28 LEU MD2 1 117 GLU QG   . . 5.000 2.929 2.300 3.626     .  0 0 "[    .    1    .    2    .  ]" 1 
        294 1  28 LEU HG  1  29 GLY H    . . 5.000 4.513 3.981 5.089 0.089 26 0 "[    .    1    .    2    .  ]" 1 
        295 1  28 LEU HG  1 113 ALA MB   . . 5.000 2.439 2.138 3.068     .  0 0 "[    .    1    .    2    .  ]" 1 
        296 1  29 GLY H   1  30 PHE H    . . 5.000 3.141 1.876 4.582     .  0 0 "[    .    1    .    2    .  ]" 1 
        297 1  30 PHE HA  1  31 ASN H    . . 2.900 2.427 2.142 2.731     .  0 0 "[    .    1    .    2    .  ]" 1 
        298 1  30 PHE QE  1 124 PHE QE   . . 5.000 3.388 2.446 4.365     .  0 0 "[    .    1    .    2    .  ]" 1 
        299 1  31 ASN H   1  32 ASN H    . . 5.000 3.963 1.713 4.605     .  0 0 "[    .    1    .    2    .  ]" 1 
        300 1  31 ASN HA  1  32 ASN H    . . 3.300 2.777 2.396 3.380 0.080 22 0 "[    .    1    .    2    .  ]" 1 
        301 1  32 ASN H   1  32 ASN QB   . . 3.680 3.005 2.387 3.400     .  0 0 "[    .    1    .    2    .  ]" 1 
        302 1  32 ASN H   1  33 VAL H    . . 5.000 3.174 2.615 4.293     .  0 0 "[    .    1    .    2    .  ]" 1 
        303 1  32 ASN H   1  33 VAL QG   . . 5.000 3.455 2.720 3.658     .  0 0 "[    .    1    .    2    .  ]" 1 
        304 1  32 ASN HB2 1  33 VAL H    . . 5.000 4.513 2.999 4.695     .  0 0 "[    .    1    .    2    .  ]" 1 
        305 1  32 ASN HB3 1  33 VAL H    . . 5.000 4.198 2.584 4.491     .  0 0 "[    .    1    .    2    .  ]" 1 
        306 1  33 VAL H   1  33 VAL QG   . . 3.300 2.078 1.760 2.536     .  0 0 "[    .    1    .    2    .  ]" 1 
        307 1  33 VAL H   1  34 GLU H    . . 5.000 4.454 3.572 4.678     .  0 0 "[    .    1    .    2    .  ]" 1 
        308 1  33 VAL HA  1  34 GLU H    . . 2.900 2.340 2.135 2.491     .  0 0 "[    .    1    .    2    .  ]" 1 
        309 1  33 VAL QG  1  34 GLU H    . . 5.000 3.197 2.587 3.779     .  0 0 "[    .    1    .    2    .  ]" 1 
        310 1  34 GLU H   1  34 GLU QG   . . 5.000 3.819 2.989 4.430     .  0 0 "[    .    1    .    2    .  ]" 1 
        311 1  34 GLU HA  1  35 GLU H    . . 2.900 2.544 2.272 2.964 0.064 13 0 "[    .    1    .    2    .  ]" 1 
        312 1  34 GLU QB  1  51 TYR QE   . . 5.000 2.329 2.009 3.517     .  0 0 "[    .    1    .    2    .  ]" 1 
        313 1  34 GLU HB2 1  35 GLU H    . . 5.000 3.808 3.259 4.233     .  0 0 "[    .    1    .    2    .  ]" 1 
        314 1  34 GLU HB3 1  35 GLU H    . . 5.000 2.587 1.865 3.365     .  0 0 "[    .    1    .    2    .  ]" 1 
        315 1  34 GLU QG  1  35 GLU H    . . 5.000 3.318 1.830 4.447     .  0 0 "[    .    1    .    2    .  ]" 1 
        316 1  34 GLU QG  1  51 TYR QE   . . 5.000 2.910 2.112 4.032     .  0 0 "[    .    1    .    2    .  ]" 1 
        317 1  35 GLU HA  1  36 ALA H    . . 2.900 2.402 2.143 2.634     .  0 0 "[    .    1    .    2    .  ]" 1 
        318 1  35 GLU HA  1  36 ALA MB   . . 5.000 4.030 3.571 4.179     .  0 0 "[    .    1    .    2    .  ]" 1 
        319 1  35 GLU HB2 1  36 ALA H    . . 5.000 3.626 2.212 4.561     .  0 0 "[    .    1    .    2    .  ]" 1 
        320 1  35 GLU HB3 1  36 ALA H    . . 5.000 3.108 2.056 4.129     .  0 0 "[    .    1    .    2    .  ]" 1 
        321 1  36 ALA H   1  36 ALA MB   . . 3.300 2.611 2.347 2.776     .  0 0 "[    .    1    .    2    .  ]" 1 
        322 1  36 ALA H   1  37 GLU H    . . 5.000 4.358 4.273 4.670     .  0 0 "[    .    1    .    2    .  ]" 1 
        323 1  36 ALA HA  1  37 GLU H    . . 2.900 2.457 2.270 2.562     .  0 0 "[    .    1    .    2    .  ]" 1 
        324 1  36 ALA HA  1  38 ASP H    . . 5.000 4.297 4.005 4.476     .  0 0 "[    .    1    .    2    .  ]" 1 
        325 1  36 ALA MB  1  38 ASP H    . . 3.300 2.597 2.430 2.647     .  0 0 "[    .    1    .    2    .  ]" 1 
        326 1  36 ALA MB  1  42 ALA HA   . . 3.300 2.292 2.101 2.625     .  0 0 "[    .    1    .    2    .  ]" 1 
        327 1  36 ALA MB  1  42 ALA MB   . . 5.000 2.681 2.363 2.903     .  0 0 "[    .    1    .    2    .  ]" 1 
        328 1  36 ALA MB  1  45 LYS QD   . . 5.000 2.900 2.068 3.657     .  0 0 "[    .    1    .    2    .  ]" 1 
        329 1  36 ALA MB  1  45 LYS QE   . . 5.000 2.860 2.111 3.447     .  0 0 "[    .    1    .    2    .  ]" 1 
        330 1  36 ALA MB  1  45 LYS QG   . . 5.000 2.635 1.982 3.397     .  0 0 "[    .    1    .    2    .  ]" 1 
        331 1  37 GLU H   1  37 GLU QB   . . 3.300 2.492 2.191 2.802     .  0 0 "[    .    1    .    2    .  ]" 1 
        332 1  37 GLU H   1  37 GLU HG2  . . 2.900 2.638 1.950 2.983 0.083  8 0 "[    .    1    .    2    .  ]" 1 
        333 1  37 GLU H   1  37 GLU HG3  . . 2.900 2.668 2.021 2.999 0.099 13 0 "[    .    1    .    2    .  ]" 1 
        334 1  37 GLU H   1  38 ASP H    . . 2.900 2.627 2.406 2.781     .  0 0 "[    .    1    .    2    .  ]" 1 
        335 1  37 GLU H   1  41 ASP QB   . . 5.880 2.369 2.130 2.796     .  0 0 "[    .    1    .    2    .  ]" 1 
        336 1  38 ASP H   1  41 ASP HA   . . 5.000 4.971 4.752 5.070 0.070 16 0 "[    .    1    .    2    .  ]" 1 
        337 1  38 ASP H   1  41 ASP HB2  . . 3.300 3.360 3.261 3.382 0.082  9 0 "[    .    1    .    2    .  ]" 1 
        338 1  38 ASP H   1  41 ASP QB   . . 2.980 2.034 1.925 2.109     .  0 0 "[    .    1    .    2    .  ]" 1 
        339 1  38 ASP H   1  41 ASP HB3  . . 3.300 2.051 1.936 2.132     .  0 0 "[    .    1    .    2    .  ]" 1 
        340 1  38 ASP HB2 1  39 GLY H    . . 5.000 3.203 2.227 4.244     .  0 0 "[    .    1    .    2    .  ]" 1 
        341 1  38 ASP HB3 1  39 GLY H    . . 5.000 3.644 2.569 4.082     .  0 0 "[    .    1    .    2    .  ]" 1 
        342 1  38 ASP O   1  42 ALA H    . . 1.800 1.879 1.774 2.003 0.203 22 0 "[    .    1    .    2    .  ]" 1 
        343 1  38 ASP O   1  42 ALA N    . . 2.700 2.750 2.693 2.866 0.166 22 0 "[    .    1    .    2    .  ]" 1 
        344 1  39 GLY QA  1  42 ALA MB   . . 5.000 2.098 1.961 2.275     .  0 0 "[    .    1    .    2    .  ]" 1 
        345 1  39 GLY QA  1  43 LEU H    . . 5.000 3.777 3.592 3.924     .  0 0 "[    .    1    .    2    .  ]" 1 
        346 1  39 GLY QA  1  68 LEU MD2  . . 5.000 2.205 1.982 2.438     .  0 0 "[    .    1    .    2    .  ]" 1 
        347 1  39 GLY O   1  43 LEU H    . . 1.800 2.028 1.835 2.079 0.279  8 0 "[    .    1    .    2    .  ]" 1 
        348 1  39 GLY O   1  43 LEU N    . . 2.700 3.019 2.819 3.079 0.379  8 0 "[    .    1    .    2    .  ]" 1 
        349 1  40 VAL H   1  40 VAL HB   . . 2.900 2.532 2.270 2.671     .  0 0 "[    .    1    .    2    .  ]" 1 
        350 1  40 VAL H   1  41 ASP H    . . 3.300 2.611 2.284 2.883     .  0 0 "[    .    1    .    2    .  ]" 1 
        351 1  40 VAL HA  1  40 VAL MG1  . . 3.300 2.404 2.291 2.600     .  0 0 "[    .    1    .    2    .  ]" 1 
        352 1  40 VAL HA  1  43 LEU H    . . 5.000 3.692 3.264 4.131     .  0 0 "[    .    1    .    2    .  ]" 1 
        353 1  40 VAL HB  1  41 ASP H    . . 2.900 2.614 2.357 2.874     .  0 0 "[    .    1    .    2    .  ]" 1 
        354 1  40 VAL MG1 1  41 ASP H    . . 5.000 3.534 3.144 3.736     .  0 0 "[    .    1    .    2    .  ]" 1 
        355 1  40 VAL MG1 1  41 ASP HA   . . 5.000 3.746 3.418 3.951     .  0 0 "[    .    1    .    2    .  ]" 1 
        356 1  40 VAL MG2 1  62 ASN QB   . . 3.300 2.216 1.882 2.592     .  0 0 "[    .    1    .    2    .  ]" 1 
        357 1  40 VAL MG2 1  63 MET QB   . . 3.300 2.112 1.952 2.266     .  0 0 "[    .    1    .    2    .  ]" 1 
        358 1  41 ASP H   1  41 ASP HB2  . . 2.900 2.533 2.378 2.692     .  0 0 "[    .    1    .    2    .  ]" 1 
        359 1  41 ASP H   1  41 ASP HB3  . . 2.900 2.523 2.399 2.614     .  0 0 "[    .    1    .    2    .  ]" 1 
        360 1  41 ASP H   1  42 ALA H    . . 3.300 2.579 2.311 2.815     .  0 0 "[    .    1    .    2    .  ]" 1 
        361 1  41 ASP HA  1  44 ASN H    . . 5.000 3.326 3.118 3.691     .  0 0 "[    .    1    .    2    .  ]" 1 
        362 1  41 ASP HA  1  44 ASN QB   . . 3.300 2.432 2.080 2.908     .  0 0 "[    .    1    .    2    .  ]" 1 
        363 1  41 ASP HB2 1  42 ALA H    . . 5.000 4.072 3.828 4.222     .  0 0 "[    .    1    .    2    .  ]" 1 
        364 1  41 ASP HB3 1  42 ALA H    . . 5.000 2.937 2.645 3.182     .  0 0 "[    .    1    .    2    .  ]" 1 
        365 1  41 ASP O   1  45 LYS H    . . 1.800 1.927 1.723 2.078 0.278  4 0 "[    .    1    .    2    .  ]" 1 
        366 1  41 ASP O   1  45 LYS N    . . 2.700 2.846 2.717 3.053 0.353 23 0 "[    .    1    .    2    .  ]" 1 
        367 1  42 ALA H   1  42 ALA MB   . . 2.900 2.193 2.143 2.264     .  0 0 "[    .    1    .    2    .  ]" 1 
        368 1  42 ALA H   1  43 LEU H    . . 5.000 2.763 2.631 2.894     .  0 0 "[    .    1    .    2    .  ]" 1 
        369 1  42 ALA H   1  68 LEU MD1  . . 5.000 4.088 4.040 4.127     .  0 0 "[    .    1    .    2    .  ]" 1 
        370 1  42 ALA HA  1  45 LYS H    . . 5.000 3.331 3.136 3.533     .  0 0 "[    .    1    .    2    .  ]" 1 
        371 1  42 ALA HA  1  46 LEU H    . . 5.000 4.165 3.874 4.343     .  0 0 "[    .    1    .    2    .  ]" 1 
        372 1  42 ALA MB  1  43 LEU H    . . 3.300 2.370 2.259 2.549     .  0 0 "[    .    1    .    2    .  ]" 1 
        373 1  42 ALA MB  1  68 LEU MD1  . . 5.000 2.177 2.020 2.324     .  0 0 "[    .    1    .    2    .  ]" 1 
        374 1  42 ALA MB  1  68 LEU MD2  . . 5.000 2.185 2.010 2.477     .  0 0 "[    .    1    .    2    .  ]" 1 
        375 1  42 ALA MB  1  68 LEU HG   . . 5.000 4.009 3.875 4.130     .  0 0 "[    .    1    .    2    .  ]" 1 
        376 1  42 ALA O   1  46 LEU H    . . 1.800 1.959 1.794 2.065 0.265 24 0 "[    .    1    .    2    .  ]" 1 
        377 1  42 ALA O   1  46 LEU N    . . 2.700 2.936 2.753 3.057 0.357 24 0 "[    .    1    .    2    .  ]" 1 
        378 1  43 LEU H   1  43 LEU HB2  . . 3.300 2.284 2.122 2.475     .  0 0 "[    .    1    .    2    .  ]" 1 
        379 1  43 LEU H   1  43 LEU HB3  . . 3.300 2.808 2.581 3.356 0.056 27 0 "[    .    1    .    2    .  ]" 1 
        380 1  43 LEU H   1  43 LEU HG   . . 5.000 4.468 4.316 4.575     .  0 0 "[    .    1    .    2    .  ]" 1 
        381 1  43 LEU H   1  44 ASN H    . . 3.300 2.754 2.568 2.903     .  0 0 "[    .    1    .    2    .  ]" 1 
        382 1  43 LEU HA  1  46 LEU H    . . 3.300 3.341 3.238 3.374 0.074 16 0 "[    .    1    .    2    .  ]" 1 
        383 1  43 LEU HA  1  47 GLN H    . . 5.000 4.192 3.729 4.391     .  0 0 "[    .    1    .    2    .  ]" 1 
        384 1  43 LEU QB  1  68 LEU MD1  . . 5.000 2.490 2.119 3.526     .  0 0 "[    .    1    .    2    .  ]" 1 
        385 1  43 LEU MD1 1  71 THR HB   . . 5.000 2.552 2.151 3.855     .  0 0 "[    .    1    .    2    .  ]" 1 
        386 1  43 LEU MD1 1  71 THR MG   . . 3.300 1.999 1.978 2.022     .  0 0 "[    .    1    .    2    .  ]" 1 
        387 1  43 LEU MD1 1  72 ILE MD   . . 5.000 2.959 2.493 3.322     .  0 0 "[    .    1    .    2    .  ]" 1 
        388 1  43 LEU MD1 1  72 ILE QG   . . 5.000 2.265 2.041 2.609     .  0 0 "[    .    1    .    2    .  ]" 1 
        389 1  43 LEU MD2 1  71 THR HB   . . 5.000 3.716 2.276 4.060     .  0 0 "[    .    1    .    2    .  ]" 1 
        390 1  43 LEU MD2 1  71 THR MG   . . 3.300 2.039 1.934 2.125     .  0 0 "[    .    1    .    2    .  ]" 1 
        391 1  43 LEU HG  1  68 LEU MD1  . . 5.000 4.218 4.042 4.281     .  0 0 "[    .    1    .    2    .  ]" 1 
        392 1  43 LEU HG  1  71 THR MG   . . 5.000 3.734 2.037 3.883     .  0 0 "[    .    1    .    2    .  ]" 1 
        393 1  43 LEU HG  1  72 ILE QG   . . 5.000 4.422 3.889 4.573     .  0 0 "[    .    1    .    2    .  ]" 1 
        394 1  43 LEU O   1  47 GLN H    . . 1.800 2.047 1.862 2.087 0.287 11 0 "[    .    1    .    2    .  ]" 1 
        395 1  43 LEU O   1  47 GLN N    . . 2.700 3.037 2.817 3.090 0.390 22 0 "[    .    1    .    2    .  ]" 1 
        396 1  44 ASN HA  1  47 GLN QG   . . 5.000 3.261 2.060 4.394     .  0 0 "[    .    1    .    2    .  ]" 1 
        397 1  45 LYS H   1  45 LYS HD2  . . 5.000 3.817 2.576 5.049 0.049 15 0 "[    .    1    .    2    .  ]" 1 
        398 1  45 LYS H   1  45 LYS HD3  . . 5.000 3.593 2.307 4.587     .  0 0 "[    .    1    .    2    .  ]" 1 
        399 1  45 LYS H   1  46 LEU H    . . 3.300 2.765 2.586 2.917     .  0 0 "[    .    1    .    2    .  ]" 1 
        400 1  45 LYS HA  1  45 LYS QD   . . 3.300 2.607 2.305 2.873     .  0 0 "[    .    1    .    2    .  ]" 1 
        401 1  45 LYS HA  1  45 LYS QE   . . 5.000 4.279 3.595 4.576     .  0 0 "[    .    1    .    2    .  ]" 1 
        402 1  45 LYS HA  1  48 ALA H    . . 5.000 3.680 3.205 4.262     .  0 0 "[    .    1    .    2    .  ]" 1 
        403 1  45 LYS HA  1  48 ALA MB   . . 5.000 2.831 2.148 3.656     .  0 0 "[    .    1    .    2    .  ]" 1 
        404 1  46 LEU H   1  46 LEU MD1  . . 5.000 3.758 3.528 4.095     .  0 0 "[    .    1    .    2    .  ]" 1 
        405 1  46 LEU H   1  46 LEU MD2  . . 3.300 2.568 2.367 2.669     .  0 0 "[    .    1    .    2    .  ]" 1 
        406 1  46 LEU H   1  47 GLN H    . . 3.300 2.853 2.692 3.070     .  0 0 "[    .    1    .    2    .  ]" 1 
        407 1  46 LEU HA  1  46 LEU MD2  . . 3.300 2.398 2.090 2.587     .  0 0 "[    .    1    .    2    .  ]" 1 
        408 1  46 LEU HA  1  49 GLY H    . . 5.000 4.106 3.203 5.071 0.071 15 0 "[    .    1    .    2    .  ]" 1 
        409 1  46 LEU HA  1  51 TYR QE   . . 5.000 3.926 2.952 4.844     .  0 0 "[    .    1    .    2    .  ]" 1 
        410 1  46 LEU QB  1  47 GLN H    . . 5.000 2.566 2.292 2.830     .  0 0 "[    .    1    .    2    .  ]" 1 
        411 1  46 LEU QB  1  72 ILE QG   . . 5.000 3.837 3.355 4.044     .  0 0 "[    .    1    .    2    .  ]" 1 
        412 1  46 LEU MD1 1  72 ILE MD   . . 5.000 2.409 1.879 3.363     .  0 0 "[    .    1    .    2    .  ]" 1 
        413 1  46 LEU MD2 1  51 TYR QB   . . 5.000 2.933 2.082 3.665     .  0 0 "[    .    1    .    2    .  ]" 1 
        414 1  46 LEU MD2 1  54 VAL MG1  . . 3.300 1.992 1.941 2.085     .  0 0 "[    .    1    .    2    .  ]" 1 
        415 1  46 LEU MD2 1  72 ILE MD   . . 5.000 3.099 2.409 3.402     .  0 0 "[    .    1    .    2    .  ]" 1 
        416 1  47 GLN H   1  47 GLN QB   . . 3.300 2.449 2.180 2.813     .  0 0 "[    .    1    .    2    .  ]" 1 
        417 1  47 GLN H   1  47 GLN QG   . . 3.300 2.332 1.920 2.687     .  0 0 "[    .    1    .    2    .  ]" 1 
        418 1  47 GLN H   1  48 ALA H    . . 5.000 2.931 2.680 3.268     .  0 0 "[    .    1    .    2    .  ]" 1 
        419 1  47 GLN HA  1  48 ALA H    . . 3.300 3.254 2.879 3.374 0.074  5 0 "[    .    1    .    2    .  ]" 1 
        420 1  47 GLN HA  1  49 GLY H    . . 5.000 3.569 2.786 5.073 0.073  8 0 "[    .    1    .    2    .  ]" 1 
        421 1  47 GLN QG  1  48 ALA H    . . 5.000 4.108 2.918 4.583     .  0 0 "[    .    1    .    2    .  ]" 1 
        422 1  48 ALA H   1  48 ALA MB   . . 2.900 2.338 2.157 2.430     .  0 0 "[    .    1    .    2    .  ]" 1 
        423 1  49 GLY H   1  50 GLY H    . . 5.000 3.718 1.932 4.477     .  0 0 "[    .    1    .    2    .  ]" 1 
        424 1  50 GLY H   1  51 TYR H    . . 5.000 3.244 1.927 4.432     .  0 0 "[    .    1    .    2    .  ]" 1 
        425 1  51 TYR HA  1  52 GLY H    . . 2.900 2.334 2.117 2.565     .  0 0 "[    .    1    .    2    .  ]" 1 
        426 1  51 TYR HA  1  53 PHE H    . . 5.000 3.997 3.220 4.920     .  0 0 "[    .    1    .    2    .  ]" 1 
        427 1  51 TYR QB  1  53 PHE H    . . 5.880 3.011 2.467 3.986     .  0 0 "[    .    1    .    2    .  ]" 1 
        428 1  51 TYR HB2 1  52 GLY H    . . 5.000 4.072 3.543 4.536     .  0 0 "[    .    1    .    2    .  ]" 1 
        429 1  51 TYR HB3 1  52 GLY H    . . 5.000 2.989 2.191 4.252     .  0 0 "[    .    1    .    2    .  ]" 1 
        430 1  52 GLY H   1  53 PHE H    . . 2.900 2.316 1.865 2.962 0.062 12 0 "[    .    1    .    2    .  ]" 1 
        431 1  52 GLY QA  1  81 LEU MD2  . . 5.000 2.919 2.117 3.679     .  0 0 "[    .    1    .    2    .  ]" 1 
        432 1  53 PHE H   1  54 VAL H    . . 5.000 4.308 4.106 4.537     .  0 0 "[    .    1    .    2    .  ]" 1 
        433 1  53 PHE HA  1  54 VAL H    . . 2.900 2.216 2.134 2.343     .  0 0 "[    .    1    .    2    .  ]" 1 
        434 1  53 PHE HA  1  81 LEU MD2  . . 5.000 3.329 2.829 4.049     .  0 0 "[    .    1    .    2    .  ]" 1 
        435 1  53 PHE HA  1  82 PRO QG   . . 3.300 2.148 1.989 2.538     .  0 0 "[    .    1    .    2    .  ]" 1 
        436 1  53 PHE HB2 1  54 VAL H    . . 5.000 4.254 3.902 4.498     .  0 0 "[    .    1    .    2    .  ]" 1 
        437 1  53 PHE HB3 1  54 VAL H    . . 5.000 3.247 2.685 3.978     .  0 0 "[    .    1    .    2    .  ]" 1 
        438 1  53 PHE QR  1  55 ILE MD   . . 5.000 2.478 2.201 3.316     .  0 0 "[    .    1    .    2    .  ]" 1 
        439 1  54 VAL H   1  55 ILE H    . . 5.000 3.742 3.226 4.326     .  0 0 "[    .    1    .    2    .  ]" 1 
        440 1  54 VAL H   1  81 LEU MD2  . . 5.000 3.919 3.884 3.963     .  0 0 "[    .    1    .    2    .  ]" 1 
        441 1  54 VAL H   1  83 VAL HA   . . 5.000 3.455 2.810 3.978     .  0 0 "[    .    1    .    2    .  ]" 1 
        442 1  54 VAL HA  1  54 VAL MG1  . . 3.300 2.319 2.180 2.505     .  0 0 "[    .    1    .    2    .  ]" 1 
        443 1  54 VAL HA  1  55 ILE H    . . 2.900 2.308 2.167 2.458     .  0 0 "[    .    1    .    2    .  ]" 1 
        444 1  54 VAL HB  1  84 LEU H    . . 5.000 3.992 3.453 4.732     .  0 0 "[    .    1    .    2    .  ]" 1 
        445 1  54 VAL MG1 1  72 ILE MD   . . 3.300 2.049 1.983 2.162     .  0 0 "[    .    1    .    2    .  ]" 1 
        446 1  54 VAL MG1 1  81 LEU MD1  . . 5.000 3.202 2.959 3.302     .  0 0 "[    .    1    .    2    .  ]" 1 
        447 1  54 VAL MG2 1  81 LEU QB   . . 5.000 2.349 1.928 3.063     .  0 0 "[    .    1    .    2    .  ]" 1 
        448 1  54 VAL MG2 1  81 LEU MD1  . . 5.000 1.903 1.853 1.979     .  0 0 "[    .    1    .    2    .  ]" 1 
        449 1  54 VAL MG2 1  81 LEU HG   . . 5.000 3.938 3.778 4.133     .  0 0 "[    .    1    .    2    .  ]" 1 
        450 1  54 VAL MG2 1  83 VAL MG1  . . 5.000 3.039 2.657 3.388     .  0 0 "[    .    1    .    2    .  ]" 1 
        451 1  55 ILE HA  1  55 ILE MG   . . 3.300 2.395 2.255 2.587     .  0 0 "[    .    1    .    2    .  ]" 1 
        452 1  55 ILE HA  1  56 SER H    . . 2.900 2.296 2.197 2.373     .  0 0 "[    .    1    .    2    .  ]" 1 
        453 1  55 ILE HA  1  84 LEU H    . . 5.000 2.630 2.425 2.988     .  0 0 "[    .    1    .    2    .  ]" 1 
        454 1  55 ILE HB  1  55 ILE MD   . . 3.300 2.486 2.244 2.726     .  0 0 "[    .    1    .    2    .  ]" 1 
        455 1  55 ILE MD  1 116 LEU MD2  . . 5.000 3.138 2.780 3.428     .  0 0 "[    .    1    .    2    .  ]" 1 
        456 1  55 ILE QG  1  84 LEU QB   . . 5.000 2.231 1.935 2.535     .  0 0 "[    .    1    .    2    .  ]" 1 
        457 1  55 ILE MG  1  56 SER H    . . 5.000 2.655 2.413 3.094     .  0 0 "[    .    1    .    2    .  ]" 1 
        458 1  55 ILE MG  1  84 LEU QB   . . 5.000 2.802 2.227 3.285     .  0 0 "[    .    1    .    2    .  ]" 1 
        459 1  55 ILE MG  1  86 VAL HB   . . 5.000 2.693 2.393 2.986     .  0 0 "[    .    1    .    2    .  ]" 1 
        460 1  55 ILE MG  1  86 VAL MG1  . . 5.000 3.298 3.067 3.451     .  0 0 "[    .    1    .    2    .  ]" 1 
        461 1  55 ILE MG  1  86 VAL MG2  . . 3.300 1.963 1.876 2.041     .  0 0 "[    .    1    .    2    .  ]" 1 
        462 1  56 SER H   1  84 LEU O    . . 1.800 2.051 1.965 2.087 0.287 16 0 "[    .    1    .    2    .  ]" 1 
        463 1  56 SER H   1  85 MET HA   . . 5.000 3.212 2.594 3.664     .  0 0 "[    .    1    .    2    .  ]" 1 
        464 1  56 SER HA  1  57 ASP H    . . 2.900 2.330 2.202 2.441     .  0 0 "[    .    1    .    2    .  ]" 1 
        465 1  56 SER HA  1  86 VAL H    . . 5.000 4.791 4.482 5.060 0.060 27 0 "[    .    1    .    2    .  ]" 1 
        466 1  56 SER N   1  84 LEU O    . . 2.700 3.022 2.950 3.055 0.355 23 0 "[    .    1    .    2    .  ]" 1 
        467 1  56 SER O   1  86 VAL H    . . 1.800 1.858 1.780 2.015 0.215  7 0 "[    .    1    .    2    .  ]" 1 
        468 1  56 SER O   1  86 VAL N    . . 2.700 2.847 2.788 2.992 0.292  7 0 "[    .    1    .    2    .  ]" 1 
        469 1  57 ASP H   1  58 TRP H    . . 5.000 4.491 4.200 4.599     .  0 0 "[    .    1    .    2    .  ]" 1 
        470 1  57 ASP HA  1  86 VAL H    . . 5.000 3.045 2.726 3.805     .  0 0 "[    .    1    .    2    .  ]" 1 
        471 1  58 TRP H   1  58 TRP HB2  . . 3.300 2.737 2.460 3.237     .  0 0 "[    .    1    .    2    .  ]" 1 
        472 1  58 TRP H   1  58 TRP HB3  . . 3.300 2.506 2.247 2.827     .  0 0 "[    .    1    .    2    .  ]" 1 
        473 1  58 TRP H   1  59 ASN H    . . 3.300 2.189 1.777 2.702     .  0 0 "[    .    1    .    2    .  ]" 1 
        474 1  58 TRP H   1  87 THR HG1  . . 5.000 2.547 1.903 4.233     .  0 0 "[    .    1    .    2    .  ]" 1 
        475 1  58 TRP HA  1  65 GLY H    . . 5.000 2.849 2.242 3.486     .  0 0 "[    .    1    .    2    .  ]" 1 
        476 1  58 TRP HB2 1  59 ASN H    . . 5.000 3.737 3.516 4.135     .  0 0 "[    .    1    .    2    .  ]" 1 
        477 1  58 TRP HB3 1  59 ASN H    . . 5.000 2.449 1.959 3.029     .  0 0 "[    .    1    .    2    .  ]" 1 
        478 1  58 TRP HD1 1  59 ASN HA   . . 3.300 2.848 2.233 3.373 0.073 27 0 "[    .    1    .    2    .  ]" 1 
        479 1  58 TRP HE3 1  87 THR MG   . . 5.000 3.715 3.053 4.111     .  0 0 "[    .    1    .    2    .  ]" 1 
        480 1  58 TRP HE3 1 106 TYR QE   . . 5.000 2.755 1.974 4.286     .  0 0 "[    .    1    .    2    .  ]" 1 
        481 1  58 TRP HH2 1  66 LEU MD2  . . 3.300 2.441 2.095 2.668     .  0 0 "[    .    1    .    2    .  ]" 1 
        482 1  58 TRP HH2 1  94 ASN HA   . . 5.000 2.867 2.444 3.536     .  0 0 "[    .    1    .    2    .  ]" 1 
        483 1  58 TRP HH2 1  97 ALA MB   . . 3.300 2.018 1.906 2.397     .  0 0 "[    .    1    .    2    .  ]" 1 
        484 1  58 TRP HH2 1  98 ALA H    . . 5.000 3.127 2.387 4.004     .  0 0 "[    .    1    .    2    .  ]" 1 
        485 1  58 TRP HZ2 1  66 LEU MD2  . . 5.000 3.972 3.306 4.163     .  0 0 "[    .    1    .    2    .  ]" 1 
        486 1  58 TRP HZ2 1  97 ALA MB   . . 5.000 3.159 2.267 4.130     .  0 0 "[    .    1    .    2    .  ]" 1 
        487 1  58 TRP HZ3 1  97 ALA MB   . . 5.000 3.695 2.760 4.067     .  0 0 "[    .    1    .    2    .  ]" 1 
        488 1  58 TRP HZ3 1  98 ALA MB   . . 3.300 2.153 1.993 2.387     .  0 0 "[    .    1    .    2    .  ]" 1 
        489 1  58 TRP HZ3 1 106 TYR QE   . . 5.000 2.616 2.121 3.952     .  0 0 "[    .    1    .    2    .  ]" 1 
        490 1  58 TRP O   1  65 GLY H    . . 1.800 1.931 1.833 2.076 0.276  2 0 "[    .    1    .    2    .  ]" 1 
        491 1  58 TRP O   1  65 GLY N    . . 2.700 2.906 2.783 3.072 0.372 17 0 "[    .    1    .    2    .  ]" 1 
        492 1  59 ASN HA  1  60 MET H    . . 2.900 2.565 2.143 2.968 0.068 18 0 "[    .    1    .    2    .  ]" 1 
        493 1  60 MET H   1  61 PRO QD   . . 5.000 4.149 2.369 4.521     .  0 0 "[    .    1    .    2    .  ]" 1 
        494 1  60 MET H   1  64 ASP HB2  . . 5.000 4.283 2.416 5.081 0.081  5 0 "[    .    1    .    2    .  ]" 1 
        495 1  60 MET H   1  64 ASP HB3  . . 5.000 4.444 3.287 5.086 0.086 20 0 "[    .    1    .    2    .  ]" 1 
        496 1  60 MET HA  1  61 PRO QD   . . 2.900 2.176 2.031 2.350     .  0 0 "[    .    1    .    2    .  ]" 1 
        497 1  60 MET QB  1  64 ASP HA   . . 5.000 2.792 1.968 4.565     .  0 0 "[    .    1    .    2    .  ]" 1 
        498 1  62 ASN H   1  62 ASN HA   . . 2.900 2.589 2.158 2.972 0.072 10 0 "[    .    1    .    2    .  ]" 1 
        499 1  62 ASN H   1  63 MET H    . . 5.000 3.457 2.226 4.692     .  0 0 "[    .    1    .    2    .  ]" 1 
        500 1  62 ASN HB2 1  63 MET H    . . 3.300 2.766 1.886 3.382 0.082  3 0 "[    .    1    .    2    .  ]" 1 
        501 1  62 ASN HB3 1  63 MET H    . . 3.300 2.225 1.810 2.870     .  0 0 "[    .    1    .    2    .  ]" 1 
        502 1  63 MET H   1  63 MET QB   . . 3.300 2.335 2.193 2.458     .  0 0 "[    .    1    .    2    .  ]" 1 
        503 1  63 MET H   1  64 ASP H    . . 5.000 4.001 3.594 4.359     .  0 0 "[    .    1    .    2    .  ]" 1 
        504 1  63 MET HA  1  63 MET QG   . . 3.300 2.365 2.156 2.540     .  0 0 "[    .    1    .    2    .  ]" 1 
        505 1  63 MET HA  1  64 ASP H    . . 2.900 2.245 2.140 2.326     .  0 0 "[    .    1    .    2    .  ]" 1 
        506 1  63 MET HA  1  67 GLU QG   . . 5.000 3.393 2.356 4.322     .  0 0 "[    .    1    .    2    .  ]" 1 
        507 1  63 MET QG  1  64 ASP H    . . 5.000 3.636 3.155 4.234     .  0 0 "[    .    1    .    2    .  ]" 1 
        508 1  63 MET QG  1  67 GLU QB   . . 5.000 2.180 1.893 3.932     .  0 0 "[    .    1    .    2    .  ]" 1 
        509 1  63 MET QG  1  67 GLU QG   . . 5.000 3.603 2.159 4.046     .  0 0 "[    .    1    .    2    .  ]" 1 
        510 1  63 MET QG  1  68 LEU H    . . 5.000 2.823 2.394 4.579     .  0 0 "[    .    1    .    2    .  ]" 1 
        511 1  64 ASP H   1  65 GLY H    . . 5.000 4.675 4.585 4.742     .  0 0 "[    .    1    .    2    .  ]" 1 
        512 1  64 ASP H   1  67 GLU HB2  . . 5.000 3.079 2.578 5.060 0.060 18 0 "[    .    1    .    2    .  ]" 1 
        513 1  64 ASP H   1  67 GLU HB3  . . 5.000 4.403 3.998 5.043 0.043  4 0 "[    .    1    .    2    .  ]" 1 
        514 1  64 ASP HA  1  65 GLY H    . . 2.900 2.408 2.235 2.639     .  0 0 "[    .    1    .    2    .  ]" 1 
        515 1  64 ASP HB2 1  65 GLY H    . . 5.000 3.190 2.229 4.425     .  0 0 "[    .    1    .    2    .  ]" 1 
        516 1  64 ASP HB3 1  65 GLY H    . . 5.000 3.548 2.420 4.191     .  0 0 "[    .    1    .    2    .  ]" 1 
        517 1  64 ASP O   1  68 LEU H    . . 1.800 1.909 1.748 2.069 0.269  4 0 "[    .    1    .    2    .  ]" 1 
        518 1  64 ASP O   1  68 LEU N    . . 2.700 2.897 2.762 3.043 0.343  4 0 "[    .    1    .    2    .  ]" 1 
        519 1  65 GLY H   1  66 LEU H    . . 5.000 2.876 2.761 3.011     .  0 0 "[    .    1    .    2    .  ]" 1 
        520 1  65 GLY QA  1  69 LEU H    . . 5.000 3.719 3.554 3.883     .  0 0 "[    .    1    .    2    .  ]" 1 
        521 1  65 GLY O   1  69 LEU H    . . 1.800 2.009 1.892 2.077 0.277 17 0 "[    .    1    .    2    .  ]" 1 
        522 1  65 GLY O   1  69 LEU N    . . 2.700 2.993 2.871 3.065 0.365 17 0 "[    .    1    .    2    .  ]" 1 
        523 1  66 LEU H   1  67 GLU H    . . 2.900 2.439 2.256 2.667     .  0 0 "[    .    1    .    2    .  ]" 1 
        524 1  66 LEU H   1  67 GLU QG   . . 5.000 4.185 3.828 4.482     .  0 0 "[    .    1    .    2    .  ]" 1 
        525 1  66 LEU HA  1  66 LEU MD2  . . 3.300 2.049 1.994 2.169     .  0 0 "[    .    1    .    2    .  ]" 1 
        526 1  66 LEU HA  1  69 LEU H    . . 5.000 3.412 3.181 3.703     .  0 0 "[    .    1    .    2    .  ]" 1 
        527 1  66 LEU HA  1  69 LEU MD2  . . 5.000 2.980 2.688 3.258     .  0 0 "[    .    1    .    2    .  ]" 1 
        528 1  66 LEU HA  1  70 LYS H    . . 5.000 3.932 3.809 4.120     .  0 0 "[    .    1    .    2    .  ]" 1 
        529 1  66 LEU QB  1  97 ALA MB   . . 5.000 3.684 3.521 3.731     .  0 0 "[    .    1    .    2    .  ]" 1 
        530 1  66 LEU HB2 1  67 GLU H    . . 5.000 3.734 3.367 3.922     .  0 0 "[    .    1    .    2    .  ]" 1 
        531 1  66 LEU HB3 1  67 GLU H    . . 5.000 2.812 2.459 3.223     .  0 0 "[    .    1    .    2    .  ]" 1 
        532 1  66 LEU MD1 1  70 LYS QE   . . 3.300 2.014 1.793 2.540     .  0 0 "[    .    1    .    2    .  ]" 1 
        533 1  66 LEU MD1 1  97 ALA MB   . . 5.000 2.633 2.306 2.978     .  0 0 "[    .    1    .    2    .  ]" 1 
        534 1  66 LEU MD1 1  98 ALA HA   . . 5.000 3.937 2.859 4.157     .  0 0 "[    .    1    .    2    .  ]" 1 
        535 1  66 LEU MD1 1 101 ALA H    . . 5.000 3.913 3.492 4.056     .  0 0 "[    .    1    .    2    .  ]" 1 
        536 1  66 LEU MD2 1  69 LEU MD2  . . 5.000 2.080 1.949 2.551     .  0 0 "[    .    1    .    2    .  ]" 1 
        537 1  66 LEU MD2 1  97 ALA MB   . . 5.000 2.582 2.036 2.997     .  0 0 "[    .    1    .    2    .  ]" 1 
        538 1  66 LEU MD2 1 101 ALA MB   . . 5.000 2.373 2.047 3.241     .  0 0 "[    .    1    .    2    .  ]" 1 
        539 1  66 LEU O   1  70 LYS H    . . 1.800 1.848 1.754 2.037 0.237  5 0 "[    .    1    .    2    .  ]" 1 
        540 1  66 LEU O   1  70 LYS N    . . 2.700 2.850 2.752 3.032 0.332  5 0 "[    .    1    .    2    .  ]" 1 
        541 1  67 GLU H   1  67 GLU QG   . . 3.300 2.399 2.127 2.709     .  0 0 "[    .    1    .    2    .  ]" 1 
        542 1  67 GLU HA  1  70 LYS H    . . 5.000 3.216 2.846 3.381     .  0 0 "[    .    1    .    2    .  ]" 1 
        543 1  67 GLU HA  1  71 THR H    . . 5.000 3.826 3.579 4.047     .  0 0 "[    .    1    .    2    .  ]" 1 
        544 1  67 GLU QG  1  68 LEU H    . . 5.000 4.057 2.447 4.310     .  0 0 "[    .    1    .    2    .  ]" 1 
        545 1  67 GLU O   1  71 THR H    . . 1.800 1.913 1.764 2.045 0.245 16 0 "[    .    1    .    2    .  ]" 1 
        546 1  67 GLU O   1  71 THR N    . . 2.700 2.832 2.729 2.897 0.197 26 0 "[    .    1    .    2    .  ]" 1 
        547 1  68 LEU H   1  68 LEU HB2  . . 2.900 2.570 2.420 2.657     .  0 0 "[    .    1    .    2    .  ]" 1 
        548 1  68 LEU H   1  68 LEU HB3  . . 2.900 2.488 2.369 2.633     .  0 0 "[    .    1    .    2    .  ]" 1 
        549 1  68 LEU H   1  69 LEU H    . . 2.900 2.827 2.688 2.950 0.050 13 0 "[    .    1    .    2    .  ]" 1 
        550 1  68 LEU HA  1  71 THR H    . . 5.000 3.611 3.421 3.819     .  0 0 "[    .    1    .    2    .  ]" 1 
        551 1  68 LEU HA  1  71 THR HB   . . 5.000 2.814 2.570 2.938     .  0 0 "[    .    1    .    2    .  ]" 1 
        552 1  68 LEU HA  1  71 THR MG   . . 5.000 4.045 3.829 4.191     .  0 0 "[    .    1    .    2    .  ]" 1 
        553 1  68 LEU HA  1  72 ILE H    . . 5.000 4.097 3.908 4.278     .  0 0 "[    .    1    .    2    .  ]" 1 
        554 1  68 LEU MD1 1  71 THR HB   . . 5.000 3.383 3.089 3.639     .  0 0 "[    .    1    .    2    .  ]" 1 
        555 1  68 LEU MD1 1  72 ILE MD   . . 5.000 2.455 2.221 2.987     .  0 0 "[    .    1    .    2    .  ]" 1 
        556 1  68 LEU MD1 1  72 ILE QG   . . 5.000 2.943 2.294 3.408     .  0 0 "[    .    1    .    2    .  ]" 1 
        557 1  68 LEU MD2 1  72 ILE MD   . . 5.000 3.114 2.915 3.369     .  0 0 "[    .    1    .    2    .  ]" 1 
        558 1  68 LEU HG  1  72 ILE MD   . . 3.300 2.287 2.062 2.510     .  0 0 "[    .    1    .    2    .  ]" 1 
        559 1  68 LEU O   1  72 ILE H    . . 1.800 1.979 1.837 2.073 0.273 22 0 "[    .    1    .    2    .  ]" 1 
        560 1  68 LEU O   1  72 ILE N    . . 2.700 2.975 2.847 3.057 0.357 10 0 "[    .    1    .    2    .  ]" 1 
        561 1  69 LEU H   1  69 LEU HB2  . . 3.300 2.832 2.703 2.973     .  0 0 "[    .    1    .    2    .  ]" 1 
        562 1  69 LEU H   1  69 LEU HB3  . . 3.300 2.192 2.131 2.312     .  0 0 "[    .    1    .    2    .  ]" 1 
        563 1  69 LEU H   1  70 LYS H    . . 2.900 2.961 2.925 2.973 0.073  5 0 "[    .    1    .    2    .  ]" 1 
        564 1  69 LEU HA  1  72 ILE H    . . 5.000 3.633 3.478 3.776     .  0 0 "[    .    1    .    2    .  ]" 1 
        565 1  69 LEU HA  1  72 ILE MD   . . 5.000 2.949 2.238 3.851     .  0 0 "[    .    1    .    2    .  ]" 1 
        566 1  69 LEU HA  1  72 ILE MG   . . 5.000 3.819 3.448 4.189     .  0 0 "[    .    1    .    2    .  ]" 1 
        567 1  69 LEU HA  1  73 ARG H    . . 5.000 3.904 3.780 4.072     .  0 0 "[    .    1    .    2    .  ]" 1 
        568 1  69 LEU HA  1  83 VAL MG1  . . 3.300 2.352 2.161 2.546     .  0 0 "[    .    1    .    2    .  ]" 1 
        569 1  69 LEU HA  1  83 VAL MG2  . . 5.000 2.842 2.124 4.072     .  0 0 "[    .    1    .    2    .  ]" 1 
        570 1  69 LEU QB  1  70 LYS H    . . 5.000 2.664 2.513 2.860     .  0 0 "[    .    1    .    2    .  ]" 1 
        571 1  69 LEU QB  1  70 LYS QG   . . 5.000 3.672 3.499 3.909     .  0 0 "[    .    1    .    2    .  ]" 1 
        572 1  69 LEU QB  1  83 VAL MG1  . . 5.000 3.302 2.800 3.431     .  0 0 "[    .    1    .    2    .  ]" 1 
        573 1  69 LEU MD1 1  70 LYS H    . . 5.000 3.835 3.659 3.989     .  0 0 "[    .    1    .    2    .  ]" 1 
        574 1  69 LEU MD1 1  73 ARG HA   . . 5.000 4.096 3.927 4.168     .  0 0 "[    .    1    .    2    .  ]" 1 
        575 1  69 LEU MD1 1  83 VAL MG2  . . 5.000 1.899 1.822 1.956     .  0 0 "[    .    1    .    2    .  ]" 1 
        576 1  69 LEU MD1 1 103 ALA HA   . . 3.300 2.318 2.139 2.569     .  0 0 "[    .    1    .    2    .  ]" 1 
        577 1  69 LEU MD1 1 103 ALA MB   . . 5.000 3.209 3.001 3.343     .  0 0 "[    .    1    .    2    .  ]" 1 
        578 1  69 LEU MD2 1  83 VAL MG2  . . 5.000 2.758 2.181 3.272     .  0 0 "[    .    1    .    2    .  ]" 1 
        579 1  69 LEU MD2 1  98 ALA HA   . . 3.300 2.624 2.333 2.772     .  0 0 "[    .    1    .    2    .  ]" 1 
        580 1  69 LEU MD2 1  98 ALA MB   . . 5.000 3.261 2.983 3.450     .  0 0 "[    .    1    .    2    .  ]" 1 
        581 1  69 LEU MD2 1 101 ALA H    . . 5.000 4.023 3.784 4.082     .  0 0 "[    .    1    .    2    .  ]" 1 
        582 1  69 LEU MD2 1 101 ALA MB   . . 3.300 2.008 1.965 2.052     .  0 0 "[    .    1    .    2    .  ]" 1 
        583 1  69 LEU MD2 1 102 GLY H    . . 5.000 3.449 2.962 3.941     .  0 0 "[    .    1    .    2    .  ]" 1 
        584 1  69 LEU MD2 1 103 ALA H    . . 3.300 2.474 2.325 2.600     .  0 0 "[    .    1    .    2    .  ]" 1 
        585 1  69 LEU MD2 1 103 ALA HA   . . 5.000 2.436 2.148 2.693     .  0 0 "[    .    1    .    2    .  ]" 1 
        586 1  69 LEU MD2 1 103 ALA MB   . . 2.900 1.861 1.832 1.886     .  0 0 "[    .    1    .    2    .  ]" 1 
        587 1  69 LEU HG  1  70 LYS H    . . 5.000 2.815 2.660 3.048     .  0 0 "[    .    1    .    2    .  ]" 1 
        588 1  69 LEU HG  1  70 LYS QE   . . 5.000 4.340 4.182 4.517     .  0 0 "[    .    1    .    2    .  ]" 1 
        589 1  69 LEU HG  1 101 ALA MB   . . 5.000 2.122 1.990 2.246     .  0 0 "[    .    1    .    2    .  ]" 1 
        590 1  69 LEU O   1  73 ARG H    . . 1.800 1.766 1.688 1.907 0.107 24 0 "[    .    1    .    2    .  ]" 1 
        591 1  69 LEU O   1  73 ARG N    . . 2.700 2.754 2.680 2.843 0.143 15 0 "[    .    1    .    2    .  ]" 1 
        592 1  70 LYS H   1  70 LYS HA   . . 2.900 2.863 2.827 2.913 0.013  5 0 "[    .    1    .    2    .  ]" 1 
        593 1  70 LYS H   1  71 THR H    . . 2.900 2.810 2.718 2.877     .  0 0 "[    .    1    .    2    .  ]" 1 
        594 1  70 LYS H   1 101 ALA MB   . . 5.000 3.899 3.597 4.103     .  0 0 "[    .    1    .    2    .  ]" 1 
        595 1  70 LYS HA  1  70 LYS QG   . . 3.300 2.273 2.106 2.536     .  0 0 "[    .    1    .    2    .  ]" 1 
        596 1  70 LYS HA  1  73 ARG H    . . 3.300 3.189 2.884 3.357 0.057  3 0 "[    .    1    .    2    .  ]" 1 
        597 1  70 LYS HA  1  74 ALA H    . . 5.000 4.348 3.694 5.035 0.035 24 0 "[    .    1    .    2    .  ]" 1 
        598 1  70 LYS HA  1 101 ALA MB   . . 5.000 3.584 3.169 3.895     .  0 0 "[    .    1    .    2    .  ]" 1 
        599 1  70 LYS QB  1  70 LYS QD   . . 3.300 2.115 2.035 2.191     .  0 0 "[    .    1    .    2    .  ]" 1 
        600 1  70 LYS QB  1  73 ARG QB   . . 5.000 3.944 3.709 4.042     .  0 0 "[    .    1    .    2    .  ]" 1 
        601 1  70 LYS QE  1 101 ALA MB   . . 3.300 1.948 1.798 2.174     .  0 0 "[    .    1    .    2    .  ]" 1 
        602 1  70 LYS QG  1 101 ALA MB   . . 3.300 2.147 1.958 2.334     .  0 0 "[    .    1    .    2    .  ]" 1 
        603 1  71 THR H   1  71 THR HA   . . 2.900 2.868 2.822 2.906 0.006  9 0 "[    .    1    .    2    .  ]" 1 
        604 1  71 THR H   1  71 THR HB   . . 3.300 2.472 2.321 2.635     .  0 0 "[    .    1    .    2    .  ]" 1 
        605 1  71 THR H   1  72 ILE H    . . 2.900 2.689 2.508 2.845     .  0 0 "[    .    1    .    2    .  ]" 1 
        606 1  71 THR HA  1  71 THR MG   . . 3.300 2.416 2.343 2.522     .  0 0 "[    .    1    .    2    .  ]" 1 
        607 1  71 THR HA  1  74 ALA H    . . 5.000 3.749 3.261 4.399     .  0 0 "[    .    1    .    2    .  ]" 1 
        608 1  71 THR HA  1  74 ALA MB   . . 5.000 3.062 2.471 3.976     .  0 0 "[    .    1    .    2    .  ]" 1 
        609 1  71 THR MG  1  72 ILE H    . . 5.000 3.474 2.923 3.863     .  0 0 "[    .    1    .    2    .  ]" 1 
        610 1  72 ILE H   1  72 ILE HB   . . 2.900 2.234 2.060 2.684     .  0 0 "[    .    1    .    2    .  ]" 1 
        611 1  72 ILE H   1  72 ILE MD   . . 5.000 3.432 3.180 3.801     .  0 0 "[    .    1    .    2    .  ]" 1 
        612 1  72 ILE H   1  72 ILE HG12 . . 5.000 3.723 3.119 3.957     .  0 0 "[    .    1    .    2    .  ]" 1 
        613 1  72 ILE H   1  72 ILE HG13 . . 5.000 2.440 1.874 2.693     .  0 0 "[    .    1    .    2    .  ]" 1 
        614 1  72 ILE H   1  73 ARG H    . . 3.300 2.695 2.502 2.881     .  0 0 "[    .    1    .    2    .  ]" 1 
        615 1  72 ILE H   1  73 ARG QB   . . 5.000 4.346 4.162 4.474     .  0 0 "[    .    1    .    2    .  ]" 1 
        616 1  72 ILE HA  1  72 ILE MG   . . 3.300 2.608 2.398 2.770     .  0 0 "[    .    1    .    2    .  ]" 1 
        617 1  72 ILE HA  1  75 ASP H    . . 5.000 4.433 3.551 5.086 0.086 10 0 "[    .    1    .    2    .  ]" 1 
        618 1  72 ILE HB  1  72 ILE MD   . . 3.300 2.335 2.151 2.578     .  0 0 "[    .    1    .    2    .  ]" 1 
        619 1  72 ILE HB  1  73 ARG H    . . 3.300 2.694 2.447 2.975     .  0 0 "[    .    1    .    2    .  ]" 1 
        620 1  72 ILE QG  1  72 ILE MG   . . 3.300 2.292 2.166 2.422     .  0 0 "[    .    1    .    2    .  ]" 1 
        621 1  72 ILE MG  1  73 ARG H    . . 5.000 3.138 2.843 3.627     .  0 0 "[    .    1    .    2    .  ]" 1 
        622 1  72 ILE MG  1  73 ARG HA   . . 5.000 3.328 3.006 3.814     .  0 0 "[    .    1    .    2    .  ]" 1 
        623 1  72 ILE MG  1  78 MET QB   . . 3.300 2.087 1.958 2.233     .  0 0 "[    .    1    .    2    .  ]" 1 
        624 1  72 ILE MG  1  79 SER HA   . . 5.000 3.037 2.208 3.854     .  0 0 "[    .    1    .    2    .  ]" 1 
        625 1  72 ILE MG  1  81 LEU H    . . 5.000 3.405 3.228 3.764     .  0 0 "[    .    1    .    2    .  ]" 1 
        626 1  72 ILE MG  1  81 LEU QB   . . 3.300 2.210 1.925 2.371     .  0 0 "[    .    1    .    2    .  ]" 1 
        627 1  72 ILE MG  1  81 LEU QD   . . 5.000 2.218 1.938 2.581     .  0 0 "[    .    1    .    2    .  ]" 1 
        628 1  72 ILE MG  1  81 LEU HG   . . 5.000 3.714 3.494 3.957     .  0 0 "[    .    1    .    2    .  ]" 1 
        629 1  72 ILE MG  1  83 VAL QG   . . 5.000 2.167 1.995 2.520     .  0 0 "[    .    1    .    2    .  ]" 1 
        630 1  73 ARG H   1  73 ARG QB   . . 2.900 2.098 2.002 2.210     .  0 0 "[    .    1    .    2    .  ]" 1 
        631 1  73 ARG H   1  74 ALA H    . . 3.300 2.867 2.666 3.062     .  0 0 "[    .    1    .    2    .  ]" 1 
        632 1  73 ARG HA  1  79 SER HA   . . 3.300 2.404 1.950 3.376 0.076  3 0 "[    .    1    .    2    .  ]" 1 
        633 1  74 ALA H   1  74 ALA MB   . . 2.900 2.240 2.145 2.418     .  0 0 "[    .    1    .    2    .  ]" 1 
        634 1  74 ALA H   1  75 ASP H    . . 3.300 2.776 2.122 3.237     .  0 0 "[    .    1    .    2    .  ]" 1 
        635 1  75 ASP H   1  76 GLY H    . . 5.000 3.968 1.810 4.686     .  0 0 "[    .    1    .    2    .  ]" 1 
        636 1  75 ASP H   1  79 SER HA   . . 5.000 4.387 3.212 5.082 0.082 24 0 "[    .    1    .    2    .  ]" 1 
        637 1  75 ASP H   1  79 SER QB   . . 5.000 3.521 2.497 4.342     .  0 0 "[    .    1    .    2    .  ]" 1 
        638 1  75 ASP HA  1  78 MET H    . . 5.000 4.530 3.117 5.099 0.099 24 0 "[    .    1    .    2    .  ]" 1 
        639 1  75 ASP QB  1  77 ALA H    . . 5.000 3.757 2.310 4.598     .  0 0 "[    .    1    .    2    .  ]" 1 
        640 1  76 GLY H   1  77 ALA H    . . 3.300 2.841 1.868 3.382 0.082 24 0 "[    .    1    .    2    .  ]" 1 
        641 1  77 ALA H   1  78 MET QG   . . 5.000 4.190 3.596 4.574     .  0 0 "[    .    1    .    2    .  ]" 1 
        642 1  77 ALA HA  1  78 MET HA   . . 5.000 4.654 4.251 4.825     .  0 0 "[    .    1    .    2    .  ]" 1 
        643 1  78 MET H   1  78 MET QG   . . 3.300 2.395 1.863 3.001     .  0 0 "[    .    1    .    2    .  ]" 1 
        644 1  78 MET H   1  79 SER H    . . 2.900 2.552 1.984 2.989 0.089 19 0 "[    .    1    .    2    .  ]" 1 
        645 1  78 MET HA  1  78 MET QG   . . 3.300 2.515 2.242 3.001     .  0 0 "[    .    1    .    2    .  ]" 1 
        646 1  78 MET HA  1  79 SER H    . . 3.300 3.334 2.993 3.388 0.088 25 0 "[    .    1    .    2    .  ]" 1 
        647 1  78 MET HA  1  80 ALA H    . . 5.000 3.639 3.126 4.550     .  0 0 "[    .    1    .    2    .  ]" 1 
        648 1  78 MET HA  1  81 LEU H    . . 5.000 3.666 2.923 4.212     .  0 0 "[    .    1    .    2    .  ]" 1 
        649 1  78 MET HA  1  81 LEU QB   . . 5.000 4.090 2.832 4.359     .  0 0 "[    .    1    .    2    .  ]" 1 
        650 1  78 MET HA  1  81 LEU QD   . . 5.000 3.154 2.627 3.856     .  0 0 "[    .    1    .    2    .  ]" 1 
        651 1  78 MET HA  1  81 LEU HG   . . 5.000 2.936 2.280 3.601     .  0 0 "[    .    1    .    2    .  ]" 1 
        652 1  78 MET HB2 1  79 SER H    . . 5.000 3.541 3.041 4.439     .  0 0 "[    .    1    .    2    .  ]" 1 
        653 1  78 MET HB3 1  79 SER H    . . 5.000 4.296 3.985 4.613     .  0 0 "[    .    1    .    2    .  ]" 1 
        654 1  78 MET QG  1  81 LEU MD1  . . 5.000 3.225 2.423 3.653     .  0 0 "[    .    1    .    2    .  ]" 1 
        655 1  79 SER H   1  80 ALA H    . . 3.300 2.904 2.689 3.203     .  0 0 "[    .    1    .    2    .  ]" 1 
        656 1  79 SER HA  1  81 LEU H    . . 5.000 3.773 3.416 4.275     .  0 0 "[    .    1    .    2    .  ]" 1 
        657 1  80 ALA H   1  80 ALA MB   . . 2.900 2.226 2.141 2.355     .  0 0 "[    .    1    .    2    .  ]" 1 
        658 1  80 ALA H   1  81 LEU H    . . 2.900 2.707 2.468 2.918 0.018  1 0 "[    .    1    .    2    .  ]" 1 
        659 1  81 LEU HA  1  82 PRO QD   . . 2.900 2.065 2.003 2.141     .  0 0 "[    .    1    .    2    .  ]" 1 
        660 1  81 LEU QD  1  82 PRO QD   . . 5.000 2.366 2.019 2.712     .  0 0 "[    .    1    .    2    .  ]" 1 
        661 1  82 PRO HA  1 123 ILE MG   . . 5.000 3.772 3.169 3.996     .  0 0 "[    .    1    .    2    .  ]" 1 
        662 1  82 PRO HA  1 127 LEU MD1  . . 5.000 2.666 2.082 3.246     .  0 0 "[    .    1    .    2    .  ]" 1 
        663 1  82 PRO QB  1 123 ILE MG   . . 5.000 2.718 2.101 3.350     .  0 0 "[    .    1    .    2    .  ]" 1 
        664 1  82 PRO QB  1 127 LEU MD1  . . 5.000 2.224 2.016 2.576     .  0 0 "[    .    1    .    2    .  ]" 1 
        665 1  82 PRO QG  1 127 LEU MD1  . . 5.000 3.521 2.960 3.666     .  0 0 "[    .    1    .    2    .  ]" 1 
        666 1  83 VAL H   1  83 VAL MG2  . . 3.300 1.978 1.666 2.532     .  0 0 "[    .    1    .    2    .  ]" 1 
        667 1  83 VAL H   1 104 SER QB   . . 5.000 3.102 2.460 4.437     .  0 0 "[    .    1    .    2    .  ]" 1 
        668 1  83 VAL HA  1  84 LEU H    . . 2.900 2.183 2.097 2.321     .  0 0 "[    .    1    .    2    .  ]" 1 
        669 1  83 VAL HB  1 103 ALA HA   . . 5.000 4.351 3.372 5.063 0.063 25 0 "[    .    1    .    2    .  ]" 1 
        670 1  83 VAL QG  1 104 SER H    . . 5.000 2.428 1.909 3.169     .  0 0 "[    .    1    .    2    .  ]" 1 
        671 1  83 VAL MG2 1 103 ALA HA   . . 5.000 2.223 1.972 2.518     .  0 0 "[    .    1    .    2    .  ]" 1 
        672 1  83 VAL MG2 1 103 ALA MB   . . 5.000 2.939 2.188 3.284     .  0 0 "[    .    1    .    2    .  ]" 1 
        673 1  83 VAL O   1 104 SER H    . . 1.800 2.001 1.815 2.078 0.278 25 0 "[    .    1    .    2    .  ]" 1 
        674 1  83 VAL O   1 104 SER N    . . 2.700 2.887 2.779 3.017 0.317 12 0 "[    .    1    .    2    .  ]" 1 
        675 1  84 LEU H   1  85 MET H    . . 5.000 4.249 4.029 4.494     .  0 0 "[    .    1    .    2    .  ]" 1 
        676 1  84 LEU HA  1  84 LEU MD1  . . 3.300 2.169 2.074 2.243     .  0 0 "[    .    1    .    2    .  ]" 1 
        677 1  84 LEU HA  1  85 MET H    . . 2.900 2.149 2.094 2.228     .  0 0 "[    .    1    .    2    .  ]" 1 
        678 1  84 LEU HA  1 105 GLY H    . . 5.000 2.983 2.742 3.300     .  0 0 "[    .    1    .    2    .  ]" 1 
        679 1  84 LEU MD1 1  85 MET H    . . 3.300 2.367 2.299 2.438     .  0 0 "[    .    1    .    2    .  ]" 1 
        680 1  84 LEU MD1 1 105 GLY H    . . 5.000 3.125 2.549 3.549     .  0 0 "[    .    1    .    2    .  ]" 1 
        681 1  84 LEU MD1 1 105 GLY QA   . . 5.000 2.439 2.048 3.129     .  0 0 "[    .    1    .    2    .  ]" 1 
        682 1  84 LEU MD1 1 106 TYR HA   . . 5.000 3.344 2.907 3.835     .  0 0 "[    .    1    .    2    .  ]" 1 
        683 1  84 LEU MD1 1 107 VAL HB   . . 5.000 3.811 3.187 4.073     .  0 0 "[    .    1    .    2    .  ]" 1 
        684 1  84 LEU MD1 1 119 LYS QB   . . 5.000 2.780 2.342 3.471     .  0 0 "[    .    1    .    2    .  ]" 1 
        685 1  84 LEU MD2 1  86 VAL MG2  . . 5.000 3.012 2.716 3.545     .  0 0 "[    .    1    .    2    .  ]" 1 
        686 1  84 LEU MD2 1 123 ILE MD   . . 5.000 2.994 2.200 3.332     .  0 0 "[    .    1    .    2    .  ]" 1 
        687 1  84 LEU HG  1  86 VAL MG2  . . 5.000 2.148 2.020 2.532     .  0 0 "[    .    1    .    2    .  ]" 1 
        688 1  85 MET H   1  85 MET QG   . . 5.000 2.366 2.115 2.649     .  0 0 "[    .    1    .    2    .  ]" 1 
        689 1  85 MET H   1  86 VAL H    . . 5.000 4.494 4.291 4.566     .  0 0 "[    .    1    .    2    .  ]" 1 
        690 1  85 MET H   1 105 GLY H    . . 5.000 3.488 3.070 3.673     .  0 0 "[    .    1    .    2    .  ]" 1 
        691 1  85 MET H   1 105 GLY O    . . 1.800 2.053 1.971 2.077 0.277  9 0 "[    .    1    .    2    .  ]" 1 
        692 1  85 MET H   1 106 TYR HA   . . 5.000 3.117 2.816 3.511     .  0 0 "[    .    1    .    2    .  ]" 1 
        693 1  85 MET HA  1  86 VAL H    . . 2.900 2.216 2.146 2.275     .  0 0 "[    .    1    .    2    .  ]" 1 
        694 1  85 MET HA  1  86 VAL MG2  . . 5.000 3.733 3.518 3.953     .  0 0 "[    .    1    .    2    .  ]" 1 
        695 1  85 MET QB  1 107 VAL H    . . 5.000 3.304 2.976 3.580     .  0 0 "[    .    1    .    2    .  ]" 1 
        696 1  85 MET QG  1  98 ALA MB   . . 5.000 2.589 2.030 3.352     .  0 0 "[    .    1    .    2    .  ]" 1 
        697 1  85 MET QG  1 103 ALA MB   . . 3.300 2.420 2.151 2.580     .  0 0 "[    .    1    .    2    .  ]" 1 
        698 1  85 MET QG  1 105 GLY H    . . 5.000 4.090 3.660 4.522     .  0 0 "[    .    1    .    2    .  ]" 1 
        699 1  85 MET N   1 105 GLY O    . . 2.700 3.052 2.977 3.078 0.378 15 0 "[    .    1    .    2    .  ]" 1 
        700 1  85 MET O   1 107 VAL H    . . 1.800 1.910 1.794 2.064 0.264 16 0 "[    .    1    .    2    .  ]" 1 
        701 1  85 MET O   1 107 VAL N    . . 2.700 2.813 2.749 2.921 0.221  7 0 "[    .    1    .    2    .  ]" 1 
        702 1  86 VAL H   1  86 VAL HB   . . 2.900 2.696 2.529 2.804     .  0 0 "[    .    1    .    2    .  ]" 1 
        703 1  86 VAL H   1  87 THR H    . . 5.000 4.010 3.654 4.300     .  0 0 "[    .    1    .    2    .  ]" 1 
        704 1  86 VAL HA  1  86 VAL MG1  . . 3.300 2.400 2.317 2.483     .  0 0 "[    .    1    .    2    .  ]" 1 
        705 1  86 VAL HA  1  86 VAL MG2  . . 3.300 2.449 2.339 2.521     .  0 0 "[    .    1    .    2    .  ]" 1 
        706 1  86 VAL HA  1  87 THR H    . . 2.900 2.240 2.172 2.322     .  0 0 "[    .    1    .    2    .  ]" 1 
        707 1  86 VAL HA  1 107 VAL H    . . 3.300 3.014 2.802 3.272     .  0 0 "[    .    1    .    2    .  ]" 1 
        708 1  86 VAL HA  1 107 VAL HB   . . 5.000 2.291 2.036 2.930     .  0 0 "[    .    1    .    2    .  ]" 1 
        709 1  86 VAL MG1 1  87 THR H    . . 5.000 3.321 2.866 3.703     .  0 0 "[    .    1    .    2    .  ]" 1 
        710 1  86 VAL MG1 1 111 PHE QR   . . 5.000 2.509 2.356 2.732     .  0 0 "[    .    1    .    2    .  ]" 1 
        711 1  87 THR H   1  88 ALA H    . . 5.000 4.391 4.228 4.497     .  0 0 "[    .    1    .    2    .  ]" 1 
        712 1  87 THR H   1 107 VAL MG1  . . 5.000 3.759 3.463 4.002     .  0 0 "[    .    1    .    2    .  ]" 1 
        713 1  87 THR H   1 109 LYS H    . . 5.000 4.085 3.787 4.418     .  0 0 "[    .    1    .    2    .  ]" 1 
        714 1  87 THR HA  1  88 ALA H    . . 3.300 2.506 2.360 2.795     .  0 0 "[    .    1    .    2    .  ]" 1 
        715 1  87 THR HA  1  89 GLU H    . . 5.000 4.054 3.725 4.672     .  0 0 "[    .    1    .    2    .  ]" 1 
        716 1  87 THR HB  1  88 ALA H    . . 5.000 3.728 3.548 3.925     .  0 0 "[    .    1    .    2    .  ]" 1 
        717 1  87 THR HG1 1  88 ALA H    . . 5.000 2.612 2.125 3.481     .  0 0 "[    .    1    .    2    .  ]" 1 
        718 1  87 THR HG1 1  89 GLU H    . . 5.000 3.131 2.417 4.082     .  0 0 "[    .    1    .    2    .  ]" 1 
        719 1  87 THR MG  1  89 GLU H    . . 3.300 2.395 2.166 2.603     .  0 0 "[    .    1    .    2    .  ]" 1 
        720 1  87 THR MG  1 106 TYR QE   . . 5.000 2.438 2.113 3.169     .  0 0 "[    .    1    .    2    .  ]" 1 
        721 1  87 THR MG  1 108 VAL HA   . . 5.000 3.084 2.834 3.597     .  0 0 "[    .    1    .    2    .  ]" 1 
        722 1  87 THR MG  1 108 VAL QG   . . 5.000 2.723 2.219 2.931     .  0 0 "[    .    1    .    2    .  ]" 1 
        723 1  87 THR O   1 109 LYS H    . . 1.800 2.028 1.908 2.072 0.272  4 0 "[    .    1    .    2    .  ]" 1 
        724 1  87 THR O   1 109 LYS N    . . 2.700 2.875 2.784 2.968 0.268 22 0 "[    .    1    .    2    .  ]" 1 
        725 1  88 ALA H   1  88 ALA MB   . . 3.300 2.303 2.203 2.505     .  0 0 "[    .    1    .    2    .  ]" 1 
        726 1  88 ALA H   1  89 GLU H    . . 3.300 2.257 1.833 2.539     .  0 0 "[    .    1    .    2    .  ]" 1 
        727 1  88 ALA HA  1 108 VAL QG   . . 5.000 3.035 2.629 3.333     .  0 0 "[    .    1    .    2    .  ]" 1 
        728 1  88 ALA HA  1 109 LYS H    . . 5.000 2.442 1.930 3.006     .  0 0 "[    .    1    .    2    .  ]" 1 
        729 1  88 ALA MB  1  89 GLU HA   . . 5.000 3.840 3.585 4.089     .  0 0 "[    .    1    .    2    .  ]" 1 
        730 1  88 ALA MB  1  89 GLU QG   . . 5.000 3.103 2.522 3.552     .  0 0 "[    .    1    .    2    .  ]" 1 
        731 1  88 ALA MB  1 109 LYS QB   . . 5.000 3.245 2.325 3.708     .  0 0 "[    .    1    .    2    .  ]" 1 
        732 1  89 GLU H   1  89 GLU QB   . . 3.300 2.316 2.095 2.457     .  0 0 "[    .    1    .    2    .  ]" 1 
        733 1  89 GLU H   1  89 GLU QG   . . 2.900 2.441 2.172 2.669     .  0 0 "[    .    1    .    2    .  ]" 1 
        734 1  89 GLU HA  1  89 GLU QG   . . 3.300 2.561 2.195 2.930     .  0 0 "[    .    1    .    2    .  ]" 1 
        735 1  89 GLU HA  1  90 ALA H    . . 2.900 2.219 2.109 2.315     .  0 0 "[    .    1    .    2    .  ]" 1 
        736 1  89 GLU HA  1  90 ALA MB   . . 5.000 4.099 3.973 4.173     .  0 0 "[    .    1    .    2    .  ]" 1 
        737 1  90 ALA H   1  90 ALA MB   . . 3.300 2.280 2.167 2.374     .  0 0 "[    .    1    .    2    .  ]" 1 
        738 1  90 ALA H   1  91 LYS H    . . 5.000 2.854 2.441 3.229     .  0 0 "[    .    1    .    2    .  ]" 1 
        739 1  90 ALA H   1 108 VAL MG1  . . 5.000 2.981 2.774 3.310     .  0 0 "[    .    1    .    2    .  ]" 1 
        740 1  90 ALA HA  1  95 ILE MD   . . 3.300 2.582 2.392 2.790     .  0 0 "[    .    1    .    2    .  ]" 1 
        741 1  90 ALA HA  1 108 VAL QG   . . 2.900 2.044 1.950 2.146     .  0 0 "[    .    1    .    2    .  ]" 1 
        742 1  90 ALA MB  1  95 ILE MD   . . 5.000 3.152 2.533 3.444     .  0 0 "[    .    1    .    2    .  ]" 1 
        743 1  90 ALA MB  1 108 VAL HB   . . 5.000 3.913 3.571 4.078     .  0 0 "[    .    1    .    2    .  ]" 1 
        744 1  90 ALA MB  1 108 VAL QG   . . 5.000 2.040 1.908 2.227     .  0 0 "[    .    1    .    2    .  ]" 1 
        745 1  91 LYS H   1  91 LYS HA   . . 2.900 2.548 2.175 2.912 0.012 26 0 "[    .    1    .    2    .  ]" 1 
        746 1  91 LYS H   1  91 LYS QB   . . 3.680 2.475 2.119 3.007     .  0 0 "[    .    1    .    2    .  ]" 1 
        747 1  91 LYS HA  1  91 LYS QG   . . 3.300 2.728 2.360 3.023     .  0 0 "[    .    1    .    2    .  ]" 1 
        748 1  91 LYS HA  1  94 ASN H    . . 5.000 4.354 4.178 4.526     .  0 0 "[    .    1    .    2    .  ]" 1 
        749 1  91 LYS QB  1  91 LYS QD   . . 3.300 2.304 2.105 2.474     .  0 0 "[    .    1    .    2    .  ]" 1 
        750 1  91 LYS QB  1  94 ASN H    . . 5.000 3.038 2.430 3.498     .  0 0 "[    .    1    .    2    .  ]" 1 
        751 1  91 LYS QG  1  93 GLU H    . . 5.000 2.654 2.181 3.475     .  0 0 "[    .    1    .    2    .  ]" 1 
        752 1  91 LYS QG  1  94 ASN H    . . 3.300 2.238 1.808 2.678     .  0 0 "[    .    1    .    2    .  ]" 1 
        753 1  91 LYS QG  1  94 ASN HA   . . 5.000 4.273 4.013 4.570     .  0 0 "[    .    1    .    2    .  ]" 1 
        754 1  91 LYS O   1  95 ILE H    . . 1.800 2.067 1.991 2.086 0.286  9 0 "[    .    1    .    2    .  ]" 1 
        755 1  91 LYS O   1  95 ILE N    . . 2.700 3.037 2.967 3.075 0.375  4 0 "[    .    1    .    2    .  ]" 1 
        756 1  92 LYS HA  1  95 ILE H    . . 5.000 3.216 2.958 3.657     .  0 0 "[    .    1    .    2    .  ]" 1 
        757 1  92 LYS HA  1  95 ILE HB   . . 3.300 2.455 2.064 2.819     .  0 0 "[    .    1    .    2    .  ]" 1 
        758 1  92 LYS HA  1  95 ILE MD   . . 3.300 2.369 2.214 2.497     .  0 0 "[    .    1    .    2    .  ]" 1 
        759 1  92 LYS HA  1  95 ILE MG   . . 5.000 3.876 3.408 4.180     .  0 0 "[    .    1    .    2    .  ]" 1 
        760 1  92 LYS HA  1  96 ILE MD   . . 5.000 3.698 3.131 4.040     .  0 0 "[    .    1    .    2    .  ]" 1 
        761 1  92 LYS QB  1  93 GLU H    . . 3.300 2.739 2.437 3.080     .  0 0 "[    .    1    .    2    .  ]" 1 
        762 1  92 LYS QB  1  96 ILE MD   . . 5.000 2.901 2.488 3.719     .  0 0 "[    .    1    .    2    .  ]" 1 
        763 1  92 LYS O   1  96 ILE H    . . 1.800 1.895 1.802 2.012 0.212  1 0 "[    .    1    .    2    .  ]" 1 
        764 1  92 LYS O   1  96 ILE N    . . 2.700 2.878 2.781 2.967 0.267  1 0 "[    .    1    .    2    .  ]" 1 
        765 1  93 GLU H   1  93 GLU QB   . . 3.300 2.233 2.000 2.566     .  0 0 "[    .    1    .    2    .  ]" 1 
        766 1  93 GLU H   1  93 GLU HG2  . . 5.000 4.017 2.852 4.608     .  0 0 "[    .    1    .    2    .  ]" 1 
        767 1  93 GLU H   1  93 GLU HG3  . . 5.000 3.494 2.372 4.583     .  0 0 "[    .    1    .    2    .  ]" 1 
        768 1  93 GLU H   1  94 ASN H    . . 3.300 2.908 2.680 3.059     .  0 0 "[    .    1    .    2    .  ]" 1 
        769 1  93 GLU HA  1  93 GLU QG   . . 3.300 2.312 2.107 2.632     .  0 0 "[    .    1    .    2    .  ]" 1 
        770 1  93 GLU HA  1  96 ILE H    . . 5.000 3.272 2.982 3.629     .  0 0 "[    .    1    .    2    .  ]" 1 
        771 1  93 GLU HA  1  96 ILE HB   . . 3.300 2.484 2.077 2.913     .  0 0 "[    .    1    .    2    .  ]" 1 
        772 1  93 GLU HA  1  96 ILE MD   . . 3.300 2.301 1.959 2.467     .  0 0 "[    .    1    .    2    .  ]" 1 
        773 1  93 GLU HA  1  96 ILE MG   . . 5.000 3.857 3.517 4.222     .  0 0 "[    .    1    .    2    .  ]" 1 
        774 1  93 GLU HA  1  97 ALA H    . . 5.000 3.863 3.537 4.254     .  0 0 "[    .    1    .    2    .  ]" 1 
        775 1  93 GLU QB  1  94 ASN H    . . 3.300 2.832 2.528 3.104     .  0 0 "[    .    1    .    2    .  ]" 1 
        776 1  93 GLU QG  1  94 ASN H    . . 5.000 4.361 3.783 4.586     .  0 0 "[    .    1    .    2    .  ]" 1 
        777 1  93 GLU O   1  97 ALA H    . . 1.800 1.854 1.750 2.054 0.254 27 0 "[    .    1    .    2    .  ]" 1 
        778 1  93 GLU O   1  97 ALA N    . . 2.700 2.850 2.730 3.031 0.331 27 0 "[    .    1    .    2    .  ]" 1 
        779 1  94 ASN H   1  95 ILE HB   . . 5.000 4.557 4.312 4.822     .  0 0 "[    .    1    .    2    .  ]" 1 
        780 1  94 ASN HA  1  97 ALA H    . . 5.000 3.265 2.783 3.590     .  0 0 "[    .    1    .    2    .  ]" 1 
        781 1  94 ASN HB2 1  95 ILE H    . . 5.000 2.732 2.430 3.247     .  0 0 "[    .    1    .    2    .  ]" 1 
        782 1  94 ASN HB3 1  95 ILE H    . . 5.000 3.575 2.656 3.815     .  0 0 "[    .    1    .    2    .  ]" 1 
        783 1  94 ASN O   1  98 ALA H    . . 1.800 1.870 1.803 2.011 0.211 15 0 "[    .    1    .    2    .  ]" 1 
        784 1  94 ASN O   1  98 ALA N    . . 2.700 2.865 2.788 3.006 0.306 15 0 "[    .    1    .    2    .  ]" 1 
        785 1  95 ILE H   1  95 ILE HB   . . 2.900 2.400 2.279 2.510     .  0 0 "[    .    1    .    2    .  ]" 1 
        786 1  95 ILE H   1  95 ILE MD   . . 5.000 2.484 2.107 3.422     .  0 0 "[    .    1    .    2    .  ]" 1 
        787 1  95 ILE H   1  95 ILE HG12 . . 5.000 4.115 3.935 4.284     .  0 0 "[    .    1    .    2    .  ]" 1 
        788 1  95 ILE H   1  95 ILE HG13 . . 5.000 3.415 2.565 3.899     .  0 0 "[    .    1    .    2    .  ]" 1 
        789 1  95 ILE H   1  96 ILE H    . . 2.900 2.855 2.682 2.974 0.074 23 0 "[    .    1    .    2    .  ]" 1 
        790 1  95 ILE HA  1  95 ILE QG   . . 3.300 2.278 2.212 2.360     .  0 0 "[    .    1    .    2    .  ]" 1 
        791 1  95 ILE HA  1  95 ILE MG   . . 3.300 2.603 2.540 2.738     .  0 0 "[    .    1    .    2    .  ]" 1 
        792 1  95 ILE HA  1  98 ALA H    . . 5.000 3.577 3.274 3.805     .  0 0 "[    .    1    .    2    .  ]" 1 
        793 1  95 ILE HA  1  98 ALA MB   . . 5.000 2.697 2.522 2.897     .  0 0 "[    .    1    .    2    .  ]" 1 
        794 1  95 ILE HA  1 106 TYR QE   . . 5.000 3.281 2.253 4.710     .  0 0 "[    .    1    .    2    .  ]" 1 
        795 1  95 ILE HB  1  95 ILE MD   . . 2.900 2.325 2.248 2.396     .  0 0 "[    .    1    .    2    .  ]" 1 
        796 1  95 ILE MD  1 106 TYR QE   . . 5.000 2.874 2.168 3.721     .  0 0 "[    .    1    .    2    .  ]" 1 
        797 1  95 ILE QG  1  95 ILE MG   . . 3.300 2.090 2.005 2.272     .  0 0 "[    .    1    .    2    .  ]" 1 
        798 1  95 ILE MG  1  96 ILE H    . . 5.000 3.074 2.878 3.271     .  0 0 "[    .    1    .    2    .  ]" 1 
        799 1  95 ILE MG  1  96 ILE HA   . . 5.000 3.313 3.114 3.518     .  0 0 "[    .    1    .    2    .  ]" 1 
        800 1  95 ILE MG  1  99 ALA H    . . 5.000 4.049 3.916 4.083     .  0 0 "[    .    1    .    2    .  ]" 1 
        801 1  95 ILE MG  1  99 ALA MB   . . 5.000 3.274 3.117 3.352     .  0 0 "[    .    1    .    2    .  ]" 1 
        802 1  95 ILE O   1  99 ALA H    . . 1.800 1.983 1.884 2.055 0.255 14 0 "[    .    1    .    2    .  ]" 1 
        803 1  95 ILE O   1  99 ALA N    . . 2.700 2.969 2.874 3.060 0.360  2 0 "[    .    1    .    2    .  ]" 1 
        804 1  96 ILE H   1  96 ILE HB   . . 3.300 2.389 2.161 2.601     .  0 0 "[    .    1    .    2    .  ]" 1 
        805 1  96 ILE H   1  96 ILE MD   . . 3.300 2.385 2.188 2.690     .  0 0 "[    .    1    .    2    .  ]" 1 
        806 1  96 ILE H   1  96 ILE HG12 . . 5.000 4.006 3.473 4.233     .  0 0 "[    .    1    .    2    .  ]" 1 
        807 1  96 ILE H   1  96 ILE HG13 . . 5.000 3.189 1.987 3.818     .  0 0 "[    .    1    .    2    .  ]" 1 
        808 1  96 ILE HA  1  96 ILE QG   . . 3.300 2.307 2.160 2.609     .  0 0 "[    .    1    .    2    .  ]" 1 
        809 1  96 ILE HA  1  96 ILE MG   . . 3.300 2.607 2.330 2.707     .  0 0 "[    .    1    .    2    .  ]" 1 
        810 1  96 ILE HA  1  99 ALA H    . . 5.000 3.483 3.183 3.746     .  0 0 "[    .    1    .    2    .  ]" 1 
        811 1  96 ILE HA  1 100 GLN H    . . 5.000 3.865 3.675 4.312     .  0 0 "[    .    1    .    2    .  ]" 1 
        812 1  96 ILE HB  1  96 ILE MD   . . 2.900 2.250 2.082 2.369     .  0 0 "[    .    1    .    2    .  ]" 1 
        813 1  96 ILE HB  1 100 GLN QG   . . 5.000 4.441 4.082 4.578     .  0 0 "[    .    1    .    2    .  ]" 1 
        814 1  96 ILE QG  1  96 ILE MG   . . 3.300 2.081 2.001 2.252     .  0 0 "[    .    1    .    2    .  ]" 1 
        815 1  96 ILE MG  1  97 ALA H    . . 5.000 3.013 2.719 3.632     .  0 0 "[    .    1    .    2    .  ]" 1 
        816 1  96 ILE MG  1  97 ALA HA   . . 5.000 3.140 2.832 3.699     .  0 0 "[    .    1    .    2    .  ]" 1 
        817 1  96 ILE MG  1 100 GLN H    . . 5.000 3.864 3.670 4.068     .  0 0 "[    .    1    .    2    .  ]" 1 
        818 1  96 ILE MG  1 100 GLN QB   . . 5.000 3.498 3.312 3.665     .  0 0 "[    .    1    .    2    .  ]" 1 
        819 1  96 ILE MG  1 100 GLN QG   . . 3.300 2.146 2.010 2.260     .  0 0 "[    .    1    .    2    .  ]" 1 
        820 1  97 ALA H   1  98 ALA H    . . 3.300 2.898 2.816 3.045     .  0 0 "[    .    1    .    2    .  ]" 1 
        821 1  97 ALA HA  1 100 GLN QB   . . 3.300 2.378 2.225 2.572     .  0 0 "[    .    1    .    2    .  ]" 1 
        822 1  97 ALA HA  1 100 GLN QG   . . 5.000 3.112 2.363 3.629     .  0 0 "[    .    1    .    2    .  ]" 1 
        823 1  97 ALA HA  1 101 ALA H    . . 5.000 3.793 3.670 3.936     .  0 0 "[    .    1    .    2    .  ]" 1 
        824 1  97 ALA MB  1  98 ALA H    . . 3.300 2.534 2.391 2.703     .  0 0 "[    .    1    .    2    .  ]" 1 
        825 1  97 ALA O   1 101 ALA H    . . 1.800 1.834 1.761 1.930 0.130 10 0 "[    .    1    .    2    .  ]" 1 
        826 1  97 ALA O   1 101 ALA N    . . 2.700 2.837 2.769 2.938 0.238 10 0 "[    .    1    .    2    .  ]" 1 
        827 1  98 ALA H   1  99 ALA H    . . 2.900 2.806 2.734 2.873     .  0 0 "[    .    1    .    2    .  ]" 1 
        828 1  98 ALA HA  1 101 ALA H    . . 5.000 3.619 3.414 3.806     .  0 0 "[    .    1    .    2    .  ]" 1 
        829 1  98 ALA HA  1 101 ALA MB   . . 5.000 2.698 2.333 2.947     .  0 0 "[    .    1    .    2    .  ]" 1 
        830 1  98 ALA MB  1  99 ALA HA   . . 5.000 3.836 3.636 4.013     .  0 0 "[    .    1    .    2    .  ]" 1 
        831 1  98 ALA O   1 103 ALA H    . . 1.800 1.838 1.773 1.911 0.111 18 0 "[    .    1    .    2    .  ]" 1 
        832 1  98 ALA O   1 103 ALA N    . . 2.700 2.847 2.784 2.927 0.227 18 0 "[    .    1    .    2    .  ]" 1 
        833 1  99 ALA H   1 100 GLN H    . . 2.900 2.671 2.573 2.766     .  0 0 "[    .    1    .    2    .  ]" 1 
        834 1  99 ALA HA  1 102 GLY H    . . 5.000 3.382 3.059 3.586     .  0 0 "[    .    1    .    2    .  ]" 1 
        835 1  99 ALA HA  1 103 ALA H    . . 3.300 3.364 3.283 3.378 0.078  3 0 "[    .    1    .    2    .  ]" 1 
        836 1 100 GLN H   1 100 GLN HA   . . 2.900 2.850 2.809 2.913 0.013 23 0 "[    .    1    .    2    .  ]" 1 
        837 1 100 GLN H   1 100 GLN HG2  . . 5.000 2.565 2.334 2.864     .  0 0 "[    .    1    .    2    .  ]" 1 
        838 1 100 GLN H   1 100 GLN HG3  . . 5.000 3.575 2.614 4.102     .  0 0 "[    .    1    .    2    .  ]" 1 
        839 1 100 GLN H   1 101 ALA H    . . 2.900 2.787 2.545 2.922 0.022 19 0 "[    .    1    .    2    .  ]" 1 
        840 1 100 GLN HA  1 100 GLN QG   . . 3.300 2.739 2.440 3.089     .  0 0 "[    .    1    .    2    .  ]" 1 
        841 1 100 GLN HA  1 102 GLY H    . . 5.000 4.126 3.709 4.483     .  0 0 "[    .    1    .    2    .  ]" 1 
        842 1 100 GLN QB  1 102 GLY H    . . 5.000 4.405 4.244 4.546     .  0 0 "[    .    1    .    2    .  ]" 1 
        843 1 100 GLN HB2 1 101 ALA H    . . 3.300 2.497 2.319 2.708     .  0 0 "[    .    1    .    2    .  ]" 1 
        844 1 100 GLN HB3 1 101 ALA H    . . 3.300 3.286 3.132 3.370 0.070  1 0 "[    .    1    .    2    .  ]" 1 
        845 1 100 GLN QG  1 101 ALA H    . . 5.000 4.170 3.975 4.312     .  0 0 "[    .    1    .    2    .  ]" 1 
        846 1 101 ALA H   1 101 ALA MB   . . 2.900 2.151 2.097 2.201     .  0 0 "[    .    1    .    2    .  ]" 1 
        847 1 102 GLY H   1 103 ALA H    . . 2.900 2.302 2.024 2.627     .  0 0 "[    .    1    .    2    .  ]" 1 
        848 1 103 ALA H   1 103 ALA MB   . . 2.900 2.210 2.113 2.276     .  0 0 "[    .    1    .    2    .  ]" 1 
        849 1 103 ALA H   1 104 SER H    . . 5.000 4.697 4.622 4.767     .  0 0 "[    .    1    .    2    .  ]" 1 
        850 1 103 ALA HA  1 104 SER H    . . 2.900 2.349 2.243 2.506     .  0 0 "[    .    1    .    2    .  ]" 1 
        851 1 103 ALA MB  1 105 GLY H    . . 3.300 2.621 2.464 2.663     .  0 0 "[    .    1    .    2    .  ]" 1 
        852 1 104 SER H   1 105 GLY H    . . 3.300 2.642 2.481 2.781     .  0 0 "[    .    1    .    2    .  ]" 1 
        853 1 104 SER QB  1 123 ILE MD   . . 5.000 3.271 2.134 3.635     .  0 0 "[    .    1    .    2    .  ]" 1 
        854 1 104 SER QB  1 123 ILE MG   . . 5.000 1.965 1.861 2.655     .  0 0 "[    .    1    .    2    .  ]" 1 
        855 1 104 SER HB2 1 105 GLY H    . . 5.000 3.984 2.805 4.512     .  0 0 "[    .    1    .    2    .  ]" 1 
        856 1 104 SER HB3 1 105 GLY H    . . 5.000 4.160 2.511 4.511     .  0 0 "[    .    1    .    2    .  ]" 1 
        857 1 106 TYR H   1 107 VAL H    . . 5.000 4.143 3.656 4.460     .  0 0 "[    .    1    .    2    .  ]" 1 
        858 1 106 TYR HA  1 107 VAL H    . . 2.900 2.205 2.144 2.276     .  0 0 "[    .    1    .    2    .  ]" 1 
        859 1 106 TYR HB2 1 107 VAL H    . . 5.000 4.468 4.294 4.670     .  0 0 "[    .    1    .    2    .  ]" 1 
        860 1 106 TYR HB3 1 107 VAL H    . . 5.000 4.081 3.617 4.493     .  0 0 "[    .    1    .    2    .  ]" 1 
        861 1 106 TYR QE  1 108 VAL MG2  . . 5.000 2.169 1.994 2.383     .  0 0 "[    .    1    .    2    .  ]" 1 
        862 1 107 VAL H   1 107 VAL HB   . . 3.300 2.503 2.290 2.683     .  0 0 "[    .    1    .    2    .  ]" 1 
        863 1 107 VAL H   1 108 VAL H    . . 5.000 4.244 3.612 4.568     .  0 0 "[    .    1    .    2    .  ]" 1 
        864 1 107 VAL HA  1 107 VAL QG   . . 2.900 2.156 2.042 2.209     .  0 0 "[    .    1    .    2    .  ]" 1 
        865 1 107 VAL HA  1 108 VAL H    . . 2.900 2.233 2.116 2.324     .  0 0 "[    .    1    .    2    .  ]" 1 
        866 1 107 VAL HA  1 111 PHE QB   . . 5.000 4.365 3.954 4.564     .  0 0 "[    .    1    .    2    .  ]" 1 
        867 1 107 VAL MG1 1 111 PHE QB   . . 5.000 1.994 1.891 2.148     .  0 0 "[    .    1    .    2    .  ]" 1 
        868 1 107 VAL MG2 1 111 PHE QB   . . 5.000 3.689 3.468 3.751     .  0 0 "[    .    1    .    2    .  ]" 1 
        869 1 107 VAL MG2 1 119 LYS QD   . . 5.000 2.994 1.951 3.571     .  0 0 "[    .    1    .    2    .  ]" 1 
        870 1 107 VAL MG2 1 119 LYS QG   . . 3.300 2.171 1.976 2.558     .  0 0 "[    .    1    .    2    .  ]" 1 
        871 1 108 VAL H   1 108 VAL HB   . . 3.300 2.754 2.551 2.910     .  0 0 "[    .    1    .    2    .  ]" 1 
        872 1 108 VAL HA  1 108 VAL QG   . . 2.900 2.135 2.080 2.201     .  0 0 "[    .    1    .    2    .  ]" 1 
        873 1 108 VAL HA  1 109 LYS H    . . 2.900 2.280 2.169 2.407     .  0 0 "[    .    1    .    2    .  ]" 1 
        874 1 108 VAL MG1 1 109 LYS H    . . 5.000 2.382 2.075 3.193     .  0 0 "[    .    1    .    2    .  ]" 1 
        875 1 109 LYS H   1 110 PRO HA   . . 5.000 4.900 4.728 5.021 0.021  2 0 "[    .    1    .    2    .  ]" 1 
        876 1 109 LYS HA  1 110 PRO HA   . . 3.300 2.331 2.110 2.584     .  0 0 "[    .    1    .    2    .  ]" 1 
        877 1 109 LYS HA  1 110 PRO QB   . . 5.000 4.093 3.971 4.211     .  0 0 "[    .    1    .    2    .  ]" 1 
        878 1 109 LYS HA  1 111 PHE H    . . 5.000 3.065 1.988 3.886     .  0 0 "[    .    1    .    2    .  ]" 1 
        879 1 110 PRO HA  1 111 PHE H    . . 2.900 2.360 2.155 2.995 0.095 11 0 "[    .    1    .    2    .  ]" 1 
        880 1 111 PHE H   1 111 PHE QR   . . 5.000 3.145 2.394 3.719     .  0 0 "[    .    1    .    2    .  ]" 1 
        881 1 111 PHE H   1 112 THR H    . . 5.000 4.329 3.949 4.592     .  0 0 "[    .    1    .    2    .  ]" 1 
        882 1 111 PHE HA  1 112 THR H    . . 2.900 2.305 2.119 2.418     .  0 0 "[    .    1    .    2    .  ]" 1 
        883 1 111 PHE HA  1 115 THR H    . . 5.000 4.889 4.514 5.071 0.071 11 0 "[    .    1    .    2    .  ]" 1 
        884 1 111 PHE HA  1 115 THR HB   . . 5.000 3.881 3.520 4.340     .  0 0 "[    .    1    .    2    .  ]" 1 
        885 1 111 PHE HA  1 115 THR MG   . . 5.000 2.811 2.097 3.490     .  0 0 "[    .    1    .    2    .  ]" 1 
        886 1 111 PHE QB  1 115 THR HB   . . 5.000 3.963 3.339 4.513     .  0 0 "[    .    1    .    2    .  ]" 1 
        887 1 111 PHE QB  1 115 THR MG   . . 3.300 2.008 1.904 2.297     .  0 0 "[    .    1    .    2    .  ]" 1 
        888 1 112 THR H   1 113 ALA H    . . 5.000 4.374 4.298 4.631     .  0 0 "[    .    1    .    2    .  ]" 1 
        889 1 112 THR H   1 115 THR HB   . . 3.300 3.307 2.988 3.384 0.084  6 0 "[    .    1    .    2    .  ]" 1 
        890 1 112 THR HA  1 112 THR MG   . . 3.300 2.244 2.138 2.348     .  0 0 "[    .    1    .    2    .  ]" 1 
        891 1 112 THR HA  1 113 ALA H    . . 2.900 2.647 2.417 2.808     .  0 0 "[    .    1    .    2    .  ]" 1 
        892 1 112 THR HA  1 114 ALA H    . . 5.000 4.350 4.014 4.464     .  0 0 "[    .    1    .    2    .  ]" 1 
        893 1 112 THR HA  1 115 THR H    . . 5.000 4.663 4.356 4.805     .  0 0 "[    .    1    .    2    .  ]" 1 
        894 1 112 THR HA  1 116 LEU H    . . 5.000 5.033 4.927 5.072 0.072 11 0 "[    .    1    .    2    .  ]" 1 
        895 1 112 THR MG  1 113 ALA H    . . 5.000 3.346 3.103 3.579     .  0 0 "[    .    1    .    2    .  ]" 1 
        896 1 112 THR MG  1 114 ALA H    . . 5.000 4.214 3.820 4.298     .  0 0 "[    .    1    .    2    .  ]" 1 
        897 1 112 THR O   1 116 LEU H    . . 1.800 1.994 1.862 2.072 0.272 26 0 "[    .    1    .    2    .  ]" 1 
        898 1 112 THR O   1 116 LEU N    . . 2.700 2.968 2.863 3.074 0.374 12 0 "[    .    1    .    2    .  ]" 1 
        899 1 113 ALA H   1 113 ALA MB   . . 2.900 2.237 2.168 2.275     .  0 0 "[    .    1    .    2    .  ]" 1 
        900 1 113 ALA H   1 114 ALA H    . . 3.300 2.587 2.380 2.739     .  0 0 "[    .    1    .    2    .  ]" 1 
        901 1 113 ALA HA  1 116 LEU H    . . 5.000 3.020 2.745 3.298     .  0 0 "[    .    1    .    2    .  ]" 1 
        902 1 113 ALA O   1 117 GLU H    . . 1.800 1.835 1.771 2.011 0.211  6 0 "[    .    1    .    2    .  ]" 1 
        903 1 113 ALA O   1 117 GLU N    . . 2.700 2.847 2.784 3.024 0.324  6 0 "[    .    1    .    2    .  ]" 1 
        904 1 114 ALA H   1 114 ALA MB   . . 2.900 2.207 2.103 2.248     .  0 0 "[    .    1    .    2    .  ]" 1 
        905 1 114 ALA H   1 115 THR H    . . 3.300 2.994 2.864 3.098     .  0 0 "[    .    1    .    2    .  ]" 1 
        906 1 114 ALA HA  1 117 GLU QB   . . 5.000 4.296 3.787 4.523     .  0 0 "[    .    1    .    2    .  ]" 1 
        907 1 114 ALA HA  1 117 GLU QG   . . 5.000 2.510 2.202 2.732     .  0 0 "[    .    1    .    2    .  ]" 1 
        908 1 114 ALA HA  1 118 GLU H    . . 5.000 4.611 4.136 5.058 0.058 16 0 "[    .    1    .    2    .  ]" 1 
        909 1 114 ALA MB  1 115 THR HA   . . 5.000 4.066 3.854 4.192     .  0 0 "[    .    1    .    2    .  ]" 1 
        910 1 115 THR H   1 115 THR HB   . . 2.900 2.673 2.324 2.973 0.073 18 0 "[    .    1    .    2    .  ]" 1 
        911 1 115 THR H   1 116 LEU H    . . 3.300 2.143 1.889 2.536     .  0 0 "[    .    1    .    2    .  ]" 1 
        912 1 115 THR HA  1 117 GLU QG   . . 5.000 4.030 3.479 4.543     .  0 0 "[    .    1    .    2    .  ]" 1 
        913 1 115 THR MG  1 116 LEU H    . . 5.000 2.577 2.388 2.852     .  0 0 "[    .    1    .    2    .  ]" 1 
        914 1 115 THR MG  1 116 LEU HA   . . 5.000 3.361 3.121 3.569     .  0 0 "[    .    1    .    2    .  ]" 1 
        915 1 115 THR MG  1 119 LYS QG   . . 5.000 3.287 2.687 3.584     .  0 0 "[    .    1    .    2    .  ]" 1 
        916 1 116 LEU H   1 116 LEU HB2  . . 2.900 2.269 2.163 2.501     .  0 0 "[    .    1    .    2    .  ]" 1 
        917 1 116 LEU H   1 116 LEU HB3  . . 2.900 2.695 2.427 2.831     .  0 0 "[    .    1    .    2    .  ]" 1 
        918 1 116 LEU H   1 117 GLU H    . . 3.300 2.845 2.714 2.997     .  0 0 "[    .    1    .    2    .  ]" 1 
        919 1 116 LEU HA  1 116 LEU MD2  . . 3.300 2.332 2.175 2.504     .  0 0 "[    .    1    .    2    .  ]" 1 
        920 1 116 LEU HA  1 119 LYS H    . . 5.000 3.694 3.452 3.988     .  0 0 "[    .    1    .    2    .  ]" 1 
        921 1 116 LEU HA  1 120 LEU H    . . 5.000 4.171 4.002 4.351     .  0 0 "[    .    1    .    2    .  ]" 1 
        922 1 116 LEU HB2 1 117 GLU H    . . 5.000 3.662 3.553 3.888     .  0 0 "[    .    1    .    2    .  ]" 1 
        923 1 116 LEU HB3 1 117 GLU H    . . 5.000 2.414 2.293 2.529     .  0 0 "[    .    1    .    2    .  ]" 1 
        924 1 116 LEU MD1 1 120 LEU H    . . 5.000 3.660 3.277 3.931     .  0 0 "[    .    1    .    2    .  ]" 1 
        925 1 116 LEU MD1 1 120 LEU MD2  . . 5.000 2.929 2.283 3.307     .  0 0 "[    .    1    .    2    .  ]" 1 
        926 1 116 LEU O   1 120 LEU H    . . 1.800 1.970 1.838 2.066 0.266  7 0 "[    .    1    .    2    .  ]" 1 
        927 1 116 LEU O   1 120 LEU N    . . 2.700 2.919 2.808 3.061 0.361 27 0 "[    .    1    .    2    .  ]" 1 
        928 1 117 GLU H   1 118 GLU H    . . 3.300 2.749 2.627 2.898     .  0 0 "[    .    1    .    2    .  ]" 1 
        929 1 117 GLU HA  1 119 LYS H    . . 5.000 4.527 4.257 4.842     .  0 0 "[    .    1    .    2    .  ]" 1 
        930 1 117 GLU HA  1 121 ASN H    . . 5.000 3.840 3.495 4.093     .  0 0 "[    .    1    .    2    .  ]" 1 
        931 1 117 GLU QG  1 118 GLU H    . . 3.300 2.249 1.853 2.695     .  0 0 "[    .    1    .    2    .  ]" 1 
        932 1 117 GLU QG  1 118 GLU HA   . . 5.000 3.845 3.275 4.213     .  0 0 "[    .    1    .    2    .  ]" 1 
        933 1 117 GLU O   1 121 ASN H    . . 1.800 1.877 1.755 2.045 0.245 12 0 "[    .    1    .    2    .  ]" 1 
        934 1 117 GLU O   1 121 ASN N    . . 2.700 2.879 2.761 3.030 0.330 21 0 "[    .    1    .    2    .  ]" 1 
        935 1 118 GLU H   1 118 GLU HA   . . 2.900 2.866 2.787 2.919 0.019 21 0 "[    .    1    .    2    .  ]" 1 
        936 1 118 GLU HA  1 118 GLU QG   . . 3.300 2.570 2.287 3.071     .  0 0 "[    .    1    .    2    .  ]" 1 
        937 1 118 GLU HA  1 121 ASN H    . . 5.000 3.465 3.049 3.856     .  0 0 "[    .    1    .    2    .  ]" 1 
        938 1 118 GLU HA  1 121 ASN QB   . . 5.000 2.754 2.187 3.453     .  0 0 "[    .    1    .    2    .  ]" 1 
        939 1 118 GLU HA  1 122 LYS H    . . 5.000 4.038 3.765 4.263     .  0 0 "[    .    1    .    2    .  ]" 1 
        940 1 118 GLU QG  1 122 LYS QE   . . 3.300 2.094 1.817 2.500     .  0 0 "[    .    1    .    2    .  ]" 1 
        941 1 118 GLU O   1 122 LYS H    . . 1.800 1.948 1.779 2.066 0.266 23 0 "[    .    1    .    2    .  ]" 1 
        942 1 118 GLU O   1 122 LYS N    . . 2.700 2.909 2.753 3.053 0.353 12 0 "[    .    1    .    2    .  ]" 1 
        943 1 119 LYS H   1 119 LYS HA   . . 2.900 2.897 2.843 2.937 0.037 20 0 "[    .    1    .    2    .  ]" 1 
        944 1 119 LYS H   1 120 LEU H    . . 2.900 2.621 2.482 2.819     .  0 0 "[    .    1    .    2    .  ]" 1 
        945 1 119 LYS H   1 122 LYS QE   . . 5.000 3.939 3.387 4.529     .  0 0 "[    .    1    .    2    .  ]" 1 
        946 1 119 LYS HA  1 119 LYS QD   . . 5.000 2.700 2.067 4.177     .  0 0 "[    .    1    .    2    .  ]" 1 
        947 1 119 LYS HA  1 122 LYS H    . . 5.000 3.280 2.896 3.474     .  0 0 "[    .    1    .    2    .  ]" 1 
        948 1 119 LYS HA  1 122 LYS QB   . . 3.300 2.283 2.049 2.583     .  0 0 "[    .    1    .    2    .  ]" 1 
        949 1 119 LYS HA  1 122 LYS QE   . . 3.300 2.418 2.044 3.045     .  0 0 "[    .    1    .    2    .  ]" 1 
        950 1 119 LYS QB  1 122 LYS QE   . . 5.000 3.963 3.103 4.149     .  0 0 "[    .    1    .    2    .  ]" 1 
        951 1 119 LYS HB2 1 120 LEU H    . . 5.000 2.924 2.519 4.153     .  0 0 "[    .    1    .    2    .  ]" 1 
        952 1 119 LYS HB3 1 120 LEU H    . . 5.000 3.826 3.389 4.268     .  0 0 "[    .    1    .    2    .  ]" 1 
        953 1 119 LYS O   1 123 ILE H    . . 1.800 2.054 1.932 2.091 0.291 18 0 "[    .    1    .    2    .  ]" 1 
        954 1 119 LYS O   1 123 ILE N    . . 2.700 3.042 2.930 3.070 0.370 25 0 "[    .    1    .    2    .  ]" 1 
        955 1 120 LEU H   1 120 LEU MD1  . . 5.000 3.779 3.451 3.931     .  0 0 "[    .    1    .    2    .  ]" 1 
        956 1 120 LEU H   1 120 LEU MD2  . . 5.000 3.672 3.162 4.101     .  0 0 "[    .    1    .    2    .  ]" 1 
        957 1 120 LEU H   1 120 LEU HG   . . 2.900 2.687 2.339 2.952 0.052 22 0 "[    .    1    .    2    .  ]" 1 
        958 1 120 LEU HA  1 120 LEU MD2  . . 3.300 2.131 2.076 2.260     .  0 0 "[    .    1    .    2    .  ]" 1 
        959 1 120 LEU HA  1 123 ILE H    . . 5.000 3.514 3.397 3.716     .  0 0 "[    .    1    .    2    .  ]" 1 
        960 1 120 LEU HA  1 123 ILE MD   . . 5.000 2.526 2.319 2.924     .  0 0 "[    .    1    .    2    .  ]" 1 
        961 1 120 LEU HA  1 124 PHE H    . . 5.000 3.938 3.786 4.097     .  0 0 "[    .    1    .    2    .  ]" 1 
        962 1 120 LEU QB  1 121 ASN HA   . . 5.000 3.802 3.621 3.940     .  0 0 "[    .    1    .    2    .  ]" 1 
        963 1 120 LEU HB2 1 121 ASN H    . . 5.000 2.461 2.298 2.632     .  0 0 "[    .    1    .    2    .  ]" 1 
        964 1 120 LEU HB3 1 121 ASN H    . . 5.000 3.219 3.036 3.492     .  0 0 "[    .    1    .    2    .  ]" 1 
        965 1 120 LEU MD1 1 124 PHE QE   . . 5.000 3.437 3.025 3.789     .  0 0 "[    .    1    .    2    .  ]" 1 
        966 1 120 LEU MD1 1 124 PHE HZ   . . 5.000 2.870 2.372 3.529     .  0 0 "[    .    1    .    2    .  ]" 1 
        967 1 120 LEU MD2 1 123 ILE MD   . . 5.000 2.380 2.122 2.934     .  0 0 "[    .    1    .    2    .  ]" 1 
        968 1 120 LEU MD2 1 124 PHE QE   . . 5.000 2.718 2.139 3.537     .  0 0 "[    .    1    .    2    .  ]" 1 
        969 1 120 LEU MD2 1 124 PHE HZ   . . 5.000 3.085 2.484 3.878     .  0 0 "[    .    1    .    2    .  ]" 1 
        970 1 120 LEU HG  1 121 ASN H    . . 5.000 4.564 4.236 4.778     .  0 0 "[    .    1    .    2    .  ]" 1 
        971 1 120 LEU O   1 124 PHE H    . . 1.800 1.825 1.779 1.904 0.104  7 0 "[    .    1    .    2    .  ]" 1 
        972 1 120 LEU O   1 124 PHE N    . . 2.700 2.796 2.755 2.855 0.155  7 0 "[    .    1    .    2    .  ]" 1 
        973 1 121 ASN H   1 121 ASN HB2  . . 3.300 2.498 2.179 2.758     .  0 0 "[    .    1    .    2    .  ]" 1 
        974 1 121 ASN H   1 121 ASN HB3  . . 3.300 2.646 2.332 3.392 0.092 17 0 "[    .    1    .    2    .  ]" 1 
        975 1 121 ASN H   1 122 LYS H    . . 3.300 2.850 2.647 2.962     .  0 0 "[    .    1    .    2    .  ]" 1 
        976 1 121 ASN HA  1 124 PHE H    . . 5.000 3.421 3.039 3.708     .  0 0 "[    .    1    .    2    .  ]" 1 
        977 1 121 ASN HA  1 124 PHE QB   . . 5.000 2.364 2.078 2.702     .  0 0 "[    .    1    .    2    .  ]" 1 
        978 1 121 ASN HA  1 124 PHE QR   . . 5.000 2.602 2.112 3.785     .  0 0 "[    .    1    .    2    .  ]" 1 
        979 1 121 ASN HA  1 125 GLU H    . . 5.000 3.793 3.598 4.069     .  0 0 "[    .    1    .    2    .  ]" 1 
        980 1 121 ASN O   1 125 GLU H    . . 1.800 2.005 1.879 2.072 0.272 12 0 "[    .    1    .    2    .  ]" 1 
        981 1 121 ASN O   1 125 GLU N    . . 2.700 3.012 2.887 3.079 0.379 12 0 "[    .    1    .    2    .  ]" 1 
        982 1 122 LYS H   1 123 ILE H    . . 5.000 3.039 2.882 3.169     .  0 0 "[    .    1    .    2    .  ]" 1 
        983 1 122 LYS HA  1 126 LYS H    . . 5.000 3.834 3.655 4.063     .  0 0 "[    .    1    .    2    .  ]" 1 
        984 1 122 LYS QB  1 123 ILE H    . . 5.000 2.525 2.187 2.801     .  0 0 "[    .    1    .    2    .  ]" 1 
        985 1 123 ILE H   1 123 ILE MD   . . 5.000 3.347 2.485 3.710     .  0 0 "[    .    1    .    2    .  ]" 1 
        986 1 123 ILE H   1 123 ILE QG   . . 3.300 1.959 1.859 2.323     .  0 0 "[    .    1    .    2    .  ]" 1 
        987 1 123 ILE H   1 123 ILE MG   . . 3.300 2.451 2.204 2.594     .  0 0 "[    .    1    .    2    .  ]" 1 
        988 1 123 ILE H   1 124 PHE H    . . 2.900 2.677 2.559 2.777     .  0 0 "[    .    1    .    2    .  ]" 1 
        989 1 123 ILE HA  1 123 ILE MG   . . 3.300 2.190 2.129 2.277     .  0 0 "[    .    1    .    2    .  ]" 1 
        990 1 123 ILE HA  1 126 LYS H    . . 5.000 3.174 2.839 3.568     .  0 0 "[    .    1    .    2    .  ]" 1 
        991 1 123 ILE HA  1 126 LYS QB   . . 3.300 2.456 2.059 2.807     .  0 0 "[    .    1    .    2    .  ]" 1 
        992 1 123 ILE HA  1 127 LEU H    . . 5.000 2.472 2.191 2.686     .  0 0 "[    .    1    .    2    .  ]" 1 
        993 1 123 ILE HB  1 124 PHE H    . . 5.000 3.994 3.841 4.179     .  0 0 "[    .    1    .    2    .  ]" 1 
        994 1 123 ILE HB  1 127 LEU QB   . . 5.000 3.317 2.370 3.546     .  0 0 "[    .    1    .    2    .  ]" 1 
        995 1 123 ILE HB  1 127 LEU HG   . . 5.000 2.415 2.189 2.673     .  0 0 "[    .    1    .    2    .  ]" 1 
        996 1 123 ILE HB  1 129 MET QB   . . 5.000 3.278 2.808 4.391     .  0 0 "[    .    1    .    2    .  ]" 1 
        997 1 123 ILE HB  1 129 MET QG   . . 3.300 2.562 2.150 3.080     .  0 0 "[    .    1    .    2    .  ]" 1 
        998 1 123 ILE MD  1 123 ILE MG   . . 3.300 2.004 1.950 2.061     .  0 0 "[    .    1    .    2    .  ]" 1 
        999 1 123 ILE QG  1 129 MET QB   . . 5.000 2.692 2.283 3.755     .  0 0 "[    .    1    .    2    .  ]" 1 
       1000 1 123 ILE MG  1 127 LEU MD1  . . 5.000 2.523 2.099 3.334     .  0 0 "[    .    1    .    2    .  ]" 1 
       1001 1 123 ILE MG  1 127 LEU HG   . . 3.300 2.485 2.244 2.564     .  0 0 "[    .    1    .    2    .  ]" 1 
       1002 1 123 ILE O   1 129 MET H    . . 1.800 2.078 2.059 2.094 0.294  7 0 "[    .    1    .    2    .  ]" 1 
       1003 1 123 ILE O   1 129 MET N    . . 2.700 3.038 2.962 3.085 0.385 27 0 "[    .    1    .    2    .  ]" 1 
       1004 1 124 PHE H   1 124 PHE QR   . . 5.000 2.945 2.411 3.334     .  0 0 "[    .    1    .    2    .  ]" 1 
       1005 1 124 PHE H   1 125 GLU H    . . 2.900 2.828 2.720 2.951 0.051  4 0 "[    .    1    .    2    .  ]" 1 
       1006 1 124 PHE HA  1 125 GLU HA   . . 5.000 4.636 4.518 4.735     .  0 0 "[    .    1    .    2    .  ]" 1 
       1007 1 124 PHE HA  1 127 LEU H    . . 5.000 4.971 4.726 5.078 0.078  8 0 "[    .    1    .    2    .  ]" 1 
       1008 1 124 PHE HA  1 128 GLY H    . . 5.000 3.710 3.556 3.901     .  0 0 "[    .    1    .    2    .  ]" 1 
       1009 1 124 PHE HA  1 129 MET H    . . 5.000 2.223 2.079 2.321     .  0 0 "[    .    1    .    2    .  ]" 1 
       1010 1 124 PHE QB  1 126 LYS H    . . 5.000 4.497 4.428 4.560     .  0 0 "[    .    1    .    2    .  ]" 1 
       1011 1 124 PHE HB2 1 125 GLU H    . . 5.000 2.321 2.125 2.664     .  0 0 "[    .    1    .    2    .  ]" 1 
       1012 1 124 PHE HB2 1 129 MET H    . . 5.000 5.032 4.933 5.075 0.075 23 0 "[    .    1    .    2    .  ]" 1 
       1013 1 124 PHE HB3 1 125 GLU H    . . 5.000 3.252 2.940 3.577     .  0 0 "[    .    1    .    2    .  ]" 1 
       1014 1 124 PHE HB3 1 129 MET H    . . 5.000 4.516 4.362 4.673     .  0 0 "[    .    1    .    2    .  ]" 1 
       1015 1 125 GLU H   1 125 GLU HA   . . 2.900 2.874 2.804 2.927 0.027 26 0 "[    .    1    .    2    .  ]" 1 
       1016 1 125 GLU H   1 125 GLU QG   . . 2.900 2.290 2.063 2.456     .  0 0 "[    .    1    .    2    .  ]" 1 
       1017 1 125 GLU H   1 126 LYS H    . . 3.300 2.617 2.368 2.807     .  0 0 "[    .    1    .    2    .  ]" 1 
       1018 1 125 GLU H   1 126 LYS QB   . . 5.000 4.375 4.112 4.560     .  0 0 "[    .    1    .    2    .  ]" 1 
       1019 1 125 GLU HA  1 125 GLU QG   . . 3.300 2.636 2.269 2.933     .  0 0 "[    .    1    .    2    .  ]" 1 
       1020 1 125 GLU HA  1 128 GLY H    . . 5.000 4.241 4.076 4.599     .  0 0 "[    .    1    .    2    .  ]" 1 
       1021 1 125 GLU HA  1 129 MET H    . . 5.000 5.067 5.003 5.088 0.088 17 0 "[    .    1    .    2    .  ]" 1 
       1022 1 125 GLU QB  1 126 LYS H    . . 3.300 2.596 2.280 2.899     .  0 0 "[    .    1    .    2    .  ]" 1 
       1023 1 126 LYS H   1 126 LYS QB   . . 2.900 2.252 2.042 2.350     .  0 0 "[    .    1    .    2    .  ]" 1 
       1024 1 126 LYS H   1 126 LYS QD   . . 5.000 4.451 4.344 4.533     .  0 0 "[    .    1    .    2    .  ]" 1 
       1025 1 126 LYS H   1 127 LEU H    . . 3.300 2.913 2.638 3.128     .  0 0 "[    .    1    .    2    .  ]" 1 
       1026 1 126 LYS QB  1 127 LEU H    . . 4.180 2.228 2.048 2.425     .  0 0 "[    .    1    .    2    .  ]" 1 
       1027 1 126 LYS QE  1 127 LEU MD2  . . 3.300 2.209 1.820 2.635     .  0 0 "[    .    1    .    2    .  ]" 1 
       1028 1 127 LEU H   1 127 LEU MD1  . . 5.000 3.780 3.619 4.274     .  0 0 "[    .    1    .    2    .  ]" 1 
       1029 1 127 LEU H   1 127 LEU MD2  . . 3.300 2.597 2.504 2.701     .  0 0 "[    .    1    .    2    .  ]" 1 
       1030 1 127 LEU H   1 127 LEU HG   . . 5.000 2.187 1.957 3.283     .  0 0 "[    .    1    .    2    .  ]" 1 
       1031 1 127 LEU HA  1 127 LEU MD2  . . 3.300 2.348 2.195 2.467     .  0 0 "[    .    1    .    2    .  ]" 1 
       1032 1 127 LEU QB  1 128 GLY H    . . 5.000 2.819 2.354 3.038     .  0 0 "[    .    1    .    2    .  ]" 1 
       1033 1 127 LEU QB  1 129 MET QB   . . 5.000 3.579 3.262 3.811     .  0 0 "[    .    1    .    2    .  ]" 1 
       1034 1 127 LEU QB  1 129 MET QG   . . 5.000 2.107 1.939 2.710     .  0 0 "[    .    1    .    2    .  ]" 1 
       1035 1 127 LEU HB2 1 129 MET H    . . 5.000 2.902 2.631 3.236     .  0 0 "[    .    1    .    2    .  ]" 1 
       1036 1 127 LEU HB3 1 129 MET H    . . 5.000 4.479 4.176 4.642     .  0 0 "[    .    1    .    2    .  ]" 1 
       1037 1 128 GLY H   1 129 MET H    . . 2.900 2.104 1.837 2.221     .  0 0 "[    .    1    .    2    .  ]" 1 
       1038 1 128 GLY H   1 129 MET QB   . . 5.000 4.188 3.774 4.576     .  0 0 "[    .    1    .    2    .  ]" 1 
       1039 1 128 GLY H   1 129 MET QG   . . 5.000 4.008 3.014 4.398     .  0 0 "[    .    1    .    2    .  ]" 1 
       1040 1 129 MET H   1 129 MET HG2  . . 5.000 2.883 2.199 3.461     .  0 0 "[    .    1    .    2    .  ]" 1 
       1041 1 129 MET H   1 129 MET HG3  . . 5.000 4.027 2.655 4.278     .  0 0 "[    .    1    .    2    .  ]" 1 
    stop_

save_



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