NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage program type subtype subsubtype
381694 1j6q 5007 cing 4-filtered-FRED Wattos check violation distance


data_1j6q


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              1796
    _Distance_constraint_stats_list.Viol_count                    88
    _Distance_constraint_stats_list.Viol_total                    9.198
    _Distance_constraint_stats_list.Viol_max                      0.495
    _Distance_constraint_stats_list.Viol_rms                      0.0333
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0051
    _Distance_constraint_stats_list.Viol_average_violations_only  0.1045
    _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   7 SER 0.000 0.000 . 0 "[ ]" 
       1   8 ASN 0.000 0.000 . 0 "[ ]" 
       1   9 LEU 0.000 0.000 . 0 "[ ]" 
       1  10 ASN 0.000 0.000 . 0 "[ ]" 
       1  11 LEU 0.027 0.027 1 0 "[ ]" 
       1  12 PHE 0.218 0.079 1 0 "[ ]" 
       1  13 TYR 0.000 0.000 . 0 "[ ]" 
       1  14 THR 0.000 0.000 . 0 "[ ]" 
       1  15 PRO 0.387 0.324 1 0 "[ ]" 
       1  16 SER 0.111 0.083 1 0 "[ ]" 
       1  17 GLU 0.259 0.259 1 0 "[ ]" 
       1  18 ILE 0.365 0.142 1 0 "[ ]" 
       1  19 VAL 0.263 0.263 1 0 "[ ]" 
       1  20 ASN 0.481 0.263 1 0 "[ ]" 
       1  21 GLY 0.231 0.140 1 0 "[ ]" 
       1  22 LYS 0.900 0.259 1 0 "[ ]" 
       1  23 THR 0.043 0.028 1 0 "[ ]" 
       1  24 ASP 0.002 0.002 1 0 "[ ]" 
       1  25 THR 0.005 0.005 1 0 "[ ]" 
       1  26 GLY 0.103 0.091 1 0 "[ ]" 
       1  27 VAL 0.096 0.096 1 0 "[ ]" 
       1  28 LYS 0.078 0.049 1 0 "[ ]" 
       1  29 PRO 0.000 0.000 . 0 "[ ]" 
       1  30 GLU 0.276 0.269 1 0 "[ ]" 
       1  31 ALA 0.028 0.028 1 0 "[ ]" 
       1  32 GLY 0.000 0.000 . 0 "[ ]" 
       1  33 GLN 0.303 0.269 1 0 "[ ]" 
       1  34 ARG 0.466 0.454 1 0 "[ ]" 
       1  35 ILE 0.087 0.067 1 0 "[ ]" 
       1  36 ARG 0.305 0.139 1 0 "[ ]" 
       1  37 VAL 0.000 0.000 . 0 "[ ]" 
       1  38 GLY 0.166 0.105 1 0 "[ ]" 
       1  39 GLY 0.010 0.010 1 0 "[ ]" 
       1  40 MET 0.012 0.012 1 0 "[ ]" 
       1  41 VAL 0.065 0.065 1 0 "[ ]" 
       1  42 THR 0.036 0.036 1 0 "[ ]" 
       1  43 VAL 0.047 0.036 1 0 "[ ]" 
       1  44 GLY 0.000 0.000 . 0 "[ ]" 
       1  45 SER 0.060 0.048 1 0 "[ ]" 
       1  46 MET 0.175 0.124 1 0 "[ ]" 
       1  47 VAL 0.012 0.012 1 0 "[ ]" 
       1  48 ARG 0.198 0.143 1 0 "[ ]" 
       1  49 ASP 0.138 0.138 1 0 "[ ]" 
       1  50 PRO 0.495 0.495 1 0 "[ ]" 
       1  51 ASN 0.000 0.000 . 0 "[ ]" 
       1  52 SER 0.014 0.014 1 0 "[ ]" 
       1  53 LEU 1.055 0.495 1 0 "[ ]" 
       1  54 HIS 0.876 0.428 1 0 "[ ]" 
       1  55 VAL 0.291 0.143 1 0 "[ ]" 
       1  56 GLN 0.234 0.085 1 0 "[ ]" 
       1  57 PHE 0.159 0.056 1 0 "[ ]" 
       1  58 ALA 0.001 0.001 1 0 "[ ]" 
       1  59 VAL 0.422 0.324 1 0 "[ ]" 
       1  60 HIS 0.000 0.000 . 0 "[ ]" 
       1  61 ASP 0.072 0.072 1 0 "[ ]" 
       1  63 LEU 0.210 0.138 1 0 "[ ]" 
       1  64 GLY 0.000 0.000 . 0 "[ ]" 
       1  65 GLY 0.138 0.138 1 0 "[ ]" 
       1  66 GLU 0.000 0.000 . 0 "[ ]" 
       1  67 ILE 0.361 0.361 1 0 "[ ]" 
       1  68 LEU 0.111 0.097 1 0 "[ ]" 
       1  69 VAL 0.001 0.001 1 0 "[ ]" 
       1  70 THR 0.198 0.106 1 0 "[ ]" 
       1  71 TYR 0.316 0.316 1 0 "[ ]" 
       1  72 ASP 0.843 0.428 1 0 "[ ]" 
       1  73 ASP 0.595 0.316 1 0 "[ ]" 
       1  74 LEU 0.552 0.308 1 0 "[ ]" 
       1  75 LEU 0.451 0.216 1 0 "[ ]" 
       1  76 PRO 0.000 0.000 . 0 "[ ]" 
       1  77 ASP 0.167 0.167 1 0 "[ ]" 
       1  78 LEU 0.167 0.167 1 0 "[ ]" 
       1  79 PHE 0.000 0.000 . 0 "[ ]" 
       1  80 ARG 0.000 0.000 . 0 "[ ]" 
       1  81 GLU 0.000 0.000 . 0 "[ ]" 
       1  82 GLY 0.000 0.000 . 0 "[ ]" 
       1  83 GLN 0.269 0.155 1 0 "[ ]" 
       1  84 GLY 0.065 0.065 1 0 "[ ]" 
       1  85 ILE 0.064 0.048 1 0 "[ ]" 
       1  86 VAL 0.010 0.010 1 0 "[ ]" 
       1  87 ALA 0.166 0.105 1 0 "[ ]" 
       1  88 GLN 0.142 0.079 1 0 "[ ]" 
       1  89 GLY 0.020 0.020 1 0 "[ ]" 
       1  90 VAL 0.548 0.454 1 0 "[ ]" 
       1  91 LEU 0.116 0.086 1 0 "[ ]" 
       1  92 GLY 0.215 0.214 1 0 "[ ]" 
       1  93 GLU 0.000 0.000 . 0 "[ ]" 
       1  94 ASP 0.326 0.214 1 0 "[ ]" 
       1  95 GLY 0.112 0.059 1 0 "[ ]" 
       1  96 LYS 0.376 0.361 1 0 "[ ]" 
       1  97 LEU 0.037 0.037 1 0 "[ ]" 
       1  98 ALA 0.209 0.106 1 0 "[ ]" 
       1  99 ALA 0.000 0.000 . 0 "[ ]" 
       1 100 THR 0.055 0.055 1 0 "[ ]" 
       1 101 GLU 0.064 0.064 1 0 "[ ]" 
       1 102 VAL 0.229 0.181 1 0 "[ ]" 
       1 103 LEU 0.021 0.021 1 0 "[ ]" 
       1 104 ALA 0.021 0.021 1 0 "[ ]" 
       1 105 LYS 0.000 0.000 . 0 "[ ]" 
       1 106 HIS 0.155 0.155 1 0 "[ ]" 
    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   7 SER H    1   8 ASN H    . .  4.900 4.201 4.201 4.201     . 0 0 "[ ]" 1 
          2 1   7 SER HA   1   8 ASN H    . .  5.200 3.597 3.597 3.597     . 0 0 "[ ]" 1 
          3 1   8 ASN H    1   8 ASN HA   . .  2.900 2.797 2.797 2.797     . 0 0 "[ ]" 1 
          4 1   8 ASN H    1   8 ASN HB3  . .  4.200 3.634 3.634 3.634     . 0 0 "[ ]" 1 
          5 1   9 LEU H    1   9 LEU HG   . .  4.700 2.959 2.959 2.959     . 0 0 "[ ]" 1 
          6 1   9 LEU H    1  10 ASN H    . .  4.900 3.678 3.678 3.678     . 0 0 "[ ]" 1 
          7 1   9 LEU HA   1   9 LEU MD1  . .  4.100 3.542 3.542 3.542     . 0 0 "[ ]" 1 
          8 1   9 LEU QB   1  10 ASN HA   . .  4.600 4.567 4.567 4.567     . 0 0 "[ ]" 1 
          9 1   9 LEU MD2  1  10 ASN HA   . .  6.800 6.361 6.361 6.361     . 0 0 "[ ]" 1 
         10 1  10 ASN H    1  11 LEU H    . .  4.300 3.698 3.698 3.698     . 0 0 "[ ]" 1 
         11 1  10 ASN HA   1  10 ASN HD22 . .  5.400 4.552 4.552 4.552     . 0 0 "[ ]" 1 
         12 1  10 ASN HA   1  11 LEU H    . .  3.900 2.531 2.531 2.531     . 0 0 "[ ]" 1 
         13 1  10 ASN HB3  1  11 LEU H    . .  5.200 4.364 4.364 4.364     . 0 0 "[ ]" 1 
         14 1  11 LEU H    1  11 LEU HB2  . .  4.000 3.803 3.803 3.803     . 0 0 "[ ]" 1 
         15 1  11 LEU H    1  11 LEU MD1  . .  5.700 4.146 4.146 4.146     . 0 0 "[ ]" 1 
         16 1  11 LEU H    1  11 LEU MD2  . .  5.300 1.975 1.975 1.975     . 0 0 "[ ]" 1 
         17 1  11 LEU H    1  11 LEU HG   . .  4.300 3.619 3.619 3.619     . 0 0 "[ ]" 1 
         18 1  11 LEU H    1  12 PHE H    . .  5.500 4.526 4.526 4.526     . 0 0 "[ ]" 1 
         19 1  11 LEU H    1  35 ILE HA   . .  4.300 3.047 3.047 3.047     . 0 0 "[ ]" 1 
         20 1  11 LEU H    1  35 ILE MG   . .  7.000 3.925 3.925 3.925     . 0 0 "[ ]" 1 
         21 1  11 LEU H    1  36 ARG H    . .  3.500 3.527 3.527 3.527 0.027 1 0 "[ ]" 1 
         22 1  11 LEU HA   1  11 LEU MD2  . .  4.800 3.695 3.695 3.695     . 0 0 "[ ]" 1 
         23 1  11 LEU HA   1  12 PHE H    . .  3.100 2.366 2.366 2.366     . 0 0 "[ ]" 1 
         24 1  11 LEU QB   1  12 PHE H    . .  6.200 2.421 2.421 2.421     . 0 0 "[ ]" 1 
         25 1  11 LEU HB2  1  12 PHE H    . .  5.800 2.446 2.446 2.446     . 0 0 "[ ]" 1 
         26 1  11 LEU MD1  1  12 PHE H    . .  6.700 3.776 3.776 3.776     . 0 0 "[ ]" 1 
         27 1  11 LEU MD1  1  13 TYR CG   . .  9.000 3.946 3.946 3.946     . 0 0 "[ ]" 1 
         28 1  11 LEU MD2  1  12 PHE H    . .  7.000 4.260 4.260 4.260     . 0 0 "[ ]" 1 
         29 1  11 LEU MD2  1  13 TYR CG   . .  9.000 3.896 3.896 3.896     . 0 0 "[ ]" 1 
         30 1  11 LEU MD2  1  35 ILE HB   . .  5.000 3.014 3.014 3.014     . 0 0 "[ ]" 1 
         31 1  11 LEU MD2  1  35 ILE MG   . .  6.200 2.852 2.852 2.852     . 0 0 "[ ]" 1 
         32 1  11 LEU HG   1  12 PHE H    . .  6.000 3.135 3.135 3.135     . 0 0 "[ ]" 1 
         33 1  11 LEU HG   1  13 TYR CG   . .  8.000 4.022 4.022 4.022     . 0 0 "[ ]" 1 
         34 1  11 LEU HG   1  13 TYR HB3  . .  6.000 4.788 4.788 4.788     . 0 0 "[ ]" 1 
         35 1  12 PHE CG   1  36 ARG HB3  . .  8.000 4.755 4.755 4.755     . 0 0 "[ ]" 1 
         36 1  12 PHE CG   1  36 ARG QD   . .  9.000 3.320 3.320 3.320     . 0 0 "[ ]" 1 
         37 1  12 PHE CZ   1  12 PHE H    . .  7.000 5.142 5.142 5.142     . 0 0 "[ ]" 1 
         38 1  12 PHE CZ   1  36 ARG QD   . .  9.000 2.763 2.763 2.763     . 0 0 "[ ]" 1 
         39 1  12 PHE CZ   1  88 GLN HE21 . .  7.400 6.461 6.461 6.461     . 0 0 "[ ]" 1 
         40 1  12 PHE CZ   1 103 LEU MD1  . .  9.000 6.938 6.938 6.938     . 0 0 "[ ]" 1 
         41 1  12 PHE CZ   1 103 LEU MD2  . .  9.000 4.738 4.738 4.738     . 0 0 "[ ]" 1 
         42 1  12 PHE H    1  12 PHE HB2  . .  4.200 2.464 2.464 2.464     . 0 0 "[ ]" 1 
         43 1  12 PHE H    1  12 PHE HB3  . .  4.400 3.621 3.621 3.621     . 0 0 "[ ]" 1 
         44 1  12 PHE H    1  13 TYR H    . .  6.000 4.401 4.401 4.401     . 0 0 "[ ]" 1 
         45 1  12 PHE HA   1  13 TYR H    . .  3.200 2.208 2.208 2.208     . 0 0 "[ ]" 1 
         46 1  12 PHE HA   1  36 ARG H    . .  3.400 3.461 3.461 3.461 0.061 1 0 "[ ]" 1 
         47 1  12 PHE HA   1  36 ARG HB2  . .  6.000 2.210 2.210 2.210     . 0 0 "[ ]" 1 
         48 1  12 PHE HA   1  36 ARG HB3  . .  6.000 3.892 3.892 3.892     . 0 0 "[ ]" 1 
         49 1  12 PHE HA   1  36 ARG QD   . .  7.000 3.813 3.813 3.813     . 0 0 "[ ]" 1 
         50 1  12 PHE HA   1  36 ARG HG2  . .  6.000 4.995 4.995 4.995     . 0 0 "[ ]" 1 
         51 1  12 PHE HA   1  36 ARG HG3  . .  6.000 3.750 3.750 3.750     . 0 0 "[ ]" 1 
         52 1  12 PHE HB2  1  13 TYR H    . .  5.900 4.341 4.341 4.341     . 0 0 "[ ]" 1 
         53 1  12 PHE HB2  1  36 ARG HB2  . .  6.000 4.780 4.780 4.780     . 0 0 "[ ]" 1 
         54 1  12 PHE HB2  1  36 ARG HG3  . .  6.000 5.993 5.993 5.993     . 0 0 "[ ]" 1 
         55 1  12 PHE HB3  1  13 TYR H    . .  5.600 3.582 3.582 3.582     . 0 0 "[ ]" 1 
         56 1  12 PHE HB3  1  36 ARG HB2  . .  6.000 4.004 4.004 4.004     . 0 0 "[ ]" 1 
         57 1  12 PHE HB3  1  36 ARG HB3  . .  6.000 5.331 5.331 5.331     . 0 0 "[ ]" 1 
         58 1  12 PHE HZ   1  36 ARG HG2  . .  6.000 6.078 6.078 6.078 0.078 1 0 "[ ]" 1 
         59 1  12 PHE HZ   1  86 VAL MG1  . .  7.000 4.783 4.783 4.783     . 0 0 "[ ]" 1 
         60 1  12 PHE HZ   1  86 VAL MG2  . .  7.000 3.912 3.912 3.912     . 0 0 "[ ]" 1 
         61 1  12 PHE HZ   1  88 GLN HE21 . .  6.000 6.079 6.079 6.079 0.079 1 0 "[ ]" 1 
         62 1  13 TYR CG   1  14 THR H    . .  8.000 3.644 3.644 3.644     . 0 0 "[ ]" 1 
         63 1  13 TYR CG   1  17 GLU HB2  . .  8.000 4.636 4.636 4.636     . 0 0 "[ ]" 1 
         64 1  13 TYR CG   1  35 ILE HB   . .  8.000 5.043 5.043 5.043     . 0 0 "[ ]" 1 
         65 1  13 TYR CG   1  35 ILE MD   . .  9.000 4.180 4.180 4.180     . 0 0 "[ ]" 1 
         66 1  13 TYR CG   1  35 ILE MG   . .  9.000 5.036 5.036 5.036     . 0 0 "[ ]" 1 
         67 1  13 TYR CZ   1  13 TYR H    . .  7.000 6.924 6.924 6.924     . 0 0 "[ ]" 1 
         68 1  13 TYR H    1  13 TYR HB2  . .  3.600 2.506 2.506 2.506     . 0 0 "[ ]" 1 
         69 1  13 TYR H    1  14 THR H    . .  6.000 4.524 4.524 4.524     . 0 0 "[ ]" 1 
         70 1  13 TYR H    1  36 ARG H    . .  3.800 3.765 3.765 3.765     . 0 0 "[ ]" 1 
         71 1  13 TYR H    1  37 VAL HA   . .  3.300 2.879 2.879 2.879     . 0 0 "[ ]" 1 
         72 1  13 TYR H    1  38 GLY H    . .  3.600 3.329 3.329 3.329     . 0 0 "[ ]" 1 
         73 1  13 TYR HA   1  14 THR H    . .  3.400 2.313 2.313 2.313     . 0 0 "[ ]" 1 
         74 1  13 TYR HB2  1  14 THR H    . .  6.000 4.459 4.459 4.459     . 0 0 "[ ]" 1 
         75 1  13 TYR HB2  1  18 ILE MD   . .  7.000 4.611 4.611 4.611     . 0 0 "[ ]" 1 
         76 1  13 TYR HB3  1  14 THR H    . .  4.700 3.655 3.655 3.655     . 0 0 "[ ]" 1 
         77 1  13 TYR HB3  1  18 ILE MD   . .  7.000 3.357 3.357 3.357     . 0 0 "[ ]" 1 
         78 1  14 THR H    1  14 THR MG   . .  4.300 2.878 2.878 2.878     . 0 0 "[ ]" 1 
         79 1  14 THR H    1  17 GLU H    . .  6.000 4.210 4.210 4.210     . 0 0 "[ ]" 1 
         80 1  14 THR H    1  17 GLU HB3  . .  5.300 3.484 3.484 3.484     . 0 0 "[ ]" 1 
         81 1  14 THR HA   1  14 THR MG   . .  3.600 2.218 2.218 2.218     . 0 0 "[ ]" 1 
         82 1  14 THR HA   1  15 PRO HD2  . .  5.600 2.279 2.279 2.279     . 0 0 "[ ]" 1 
         83 1  14 THR HA   1  15 PRO HD3  . .  4.700 2.571 2.571 2.571     . 0 0 "[ ]" 1 
         84 1  14 THR HA   1  15 PRO HG2  . .  6.000 4.473 4.473 4.473     . 0 0 "[ ]" 1 
         85 1  14 THR HA   1  15 PRO HG3  . .  6.000 4.626 4.626 4.626     . 0 0 "[ ]" 1 
         86 1  14 THR HA   1  37 VAL MG2  . .  7.000 3.651 3.651 3.651     . 0 0 "[ ]" 1 
         87 1  14 THR HA   1  38 GLY H    . .  3.500 3.178 3.178 3.178     . 0 0 "[ ]" 1 
         88 1  14 THR HB   1  15 PRO HD2  . .  5.200 2.868 2.868 2.868     . 0 0 "[ ]" 1 
         89 1  14 THR HB   1  15 PRO HD3  . .  6.000 4.248 4.248 4.248     . 0 0 "[ ]" 1 
         90 1  14 THR HB   1  16 SER H    . .  6.000 3.077 3.077 3.077     . 0 0 "[ ]" 1 
         91 1  14 THR HB   1  61 ASP HB3  . .  6.000 4.822 4.822 4.822     . 0 0 "[ ]" 1 
         92 1  14 THR MG   1  15 PRO HD2  . .  7.000 2.583 2.583 2.583     . 0 0 "[ ]" 1 
         93 1  14 THR MG   1  15 PRO HD3  . .  6.500 3.773 3.773 3.773     . 0 0 "[ ]" 1 
         94 1  14 THR MG   1  15 PRO HG2  . .  7.000 4.403 4.403 4.403     . 0 0 "[ ]" 1 
         95 1  14 THR MG   1  17 GLU H    . .  6.100 4.451 4.451 4.451     . 0 0 "[ ]" 1 
         96 1  14 THR MG   1  17 GLU HB2  . .  7.000 4.322 4.322 4.322     . 0 0 "[ ]" 1 
         97 1  15 PRO HA   1  15 PRO HD2  . .  4.000 4.063 4.063 4.063 0.063 1 0 "[ ]" 1 
         98 1  15 PRO HA   1  15 PRO HD3  . .  4.600 3.349 3.349 3.349     . 0 0 "[ ]" 1 
         99 1  15 PRO HA   1  16 SER H    . .  4.500 3.638 3.638 3.638     . 0 0 "[ ]" 1 
        100 1  15 PRO HA   1  17 GLU H    . .  6.000 4.127 4.127 4.127     . 0 0 "[ ]" 1 
        101 1  15 PRO HA   1  18 ILE H    . .  5.400 3.419 3.419 3.419     . 0 0 "[ ]" 1 
        102 1  15 PRO HA   1  18 ILE MD   . .  5.400 2.611 2.611 2.611     . 0 0 "[ ]" 1 
        103 1  15 PRO HA   1  18 ILE HG12 . .  6.000 2.344 2.344 2.344     . 0 0 "[ ]" 1 
        104 1  15 PRO HA   1  18 ILE HG13 . .  6.000 2.427 2.427 2.427     . 0 0 "[ ]" 1 
        105 1  15 PRO HA   1  18 ILE MG   . .  7.000 4.343 4.343 4.343     . 0 0 "[ ]" 1 
        106 1  15 PRO HA   1  37 VAL MG1  . .  7.000 4.873 4.873 4.873     . 0 0 "[ ]" 1 
        107 1  15 PRO HA   1  37 VAL MG2  . .  7.000 2.488 2.488 2.488     . 0 0 "[ ]" 1 
        108 1  15 PRO HA   1  67 ILE MG   . .  6.300 3.175 3.175 3.175     . 0 0 "[ ]" 1 
        109 1  15 PRO QB   1  16 SER H    . .  5.400 2.995 2.995 2.995     . 0 0 "[ ]" 1 
        110 1  15 PRO QB   1  18 ILE MD   . .  8.000 3.641 3.641 3.641     . 0 0 "[ ]" 1 
        111 1  15 PRO QB   1  18 ILE HG12 . .  7.000 4.212 4.212 4.212     . 0 0 "[ ]" 1 
        112 1  15 PRO QB   1  18 ILE HG13 . .  7.000 3.844 3.844 3.844     . 0 0 "[ ]" 1 
        113 1  15 PRO QB   1  37 VAL MG1  . .  8.000 4.256 4.256 4.256     . 0 0 "[ ]" 1 
        114 1  15 PRO QB   1  37 VAL MG2  . .  8.000 2.418 2.418 2.418     . 0 0 "[ ]" 1 
        115 1  15 PRO QB   1  59 VAL MG2  . .  8.000 4.862 4.862 4.862     . 0 0 "[ ]" 1 
        116 1  15 PRO QB   1  60 HIS HA   . .  7.000 2.708 2.708 2.708     . 0 0 "[ ]" 1 
        117 1  15 PRO QB   1  66 GLU HA   . .  7.000 3.392 3.392 3.392     . 0 0 "[ ]" 1 
        118 1  15 PRO QB   1  67 ILE H    . .  7.000 2.869 2.869 2.869     . 0 0 "[ ]" 1 
        119 1  15 PRO QB   1  67 ILE MG   . .  7.300 2.552 2.552 2.552     . 0 0 "[ ]" 1 
        120 1  15 PRO HD2  1  16 SER H    . .  6.000 3.088 3.088 3.088     . 0 0 "[ ]" 1 
        121 1  15 PRO HD2  1  17 GLU HB2  . .  6.000 5.808 5.808 5.808     . 0 0 "[ ]" 1 
        122 1  15 PRO HD2  1  37 VAL MG1  . .  7.000 6.186 6.186 6.186     . 0 0 "[ ]" 1 
        123 1  15 PRO HD2  1  39 GLY HA3  . .  6.000 3.217 3.217 3.217     . 0 0 "[ ]" 1 
        124 1  15 PRO HD3  1  16 SER H    . .  6.000 4.094 4.094 4.094     . 0 0 "[ ]" 1 
        125 1  15 PRO HD3  1  37 VAL MG1  . .  6.500 4.686 4.686 4.686     . 0 0 "[ ]" 1 
        126 1  15 PRO HG2  1  16 SER H    . .  6.000 2.226 2.226 2.226     . 0 0 "[ ]" 1 
        127 1  15 PRO HG2  1  37 VAL MG1  . .  6.800 6.563 6.563 6.563     . 0 0 "[ ]" 1 
        128 1  15 PRO HG2  1  59 VAL MG1  . .  6.000 3.749 3.749 3.749     . 0 0 "[ ]" 1 
        129 1  15 PRO HG2  1  59 VAL MG2  . .  5.900 6.224 6.224 6.224 0.324 1 0 "[ ]" 1 
        130 1  15 PRO HG2  1  60 HIS HA   . .  6.000 2.812 2.812 2.812     . 0 0 "[ ]" 1 
        131 1  15 PRO HG3  1  16 SER H    . .  6.000 3.859 3.859 3.859     . 0 0 "[ ]" 1 
        132 1  15 PRO HG3  1  37 VAL MG1  . .  6.600 5.417 5.417 5.417     . 0 0 "[ ]" 1 
        133 1  15 PRO HG3  1  37 VAL MG2  . .  6.600 3.553 3.553 3.553     . 0 0 "[ ]" 1 
        134 1  15 PRO HG3  1  59 VAL MG2  . .  5.600 4.778 4.778 4.778     . 0 0 "[ ]" 1 
        135 1  16 SER H    1  16 SER HB3  . .  4.100 3.376 3.376 3.376     . 0 0 "[ ]" 1 
        136 1  16 SER H    1  17 GLU H    . .  3.700 2.941 2.941 2.941     . 0 0 "[ ]" 1 
        137 1  16 SER H    1  18 ILE H    . .  6.000 4.508 4.508 4.508     . 0 0 "[ ]" 1 
        138 1  16 SER H    1  65 GLY H    . .  5.800 4.367 4.367 4.367     . 0 0 "[ ]" 1 
        139 1  16 SER H    1  65 GLY QA   . .  5.900 3.995 3.995 3.995     . 0 0 "[ ]" 1 
        140 1  16 SER HA   1  16 SER HB2  . .  3.000 3.028 3.028 3.028 0.028 1 0 "[ ]" 1 
        141 1  16 SER HA   1  17 GLU H    . .  4.400 3.536 3.536 3.536     . 0 0 "[ ]" 1 
        142 1  16 SER HA   1  18 ILE H    . .  4.900 4.614 4.614 4.614     . 0 0 "[ ]" 1 
        143 1  16 SER HA   1  19 VAL H    . .  5.700 4.385 4.385 4.385     . 0 0 "[ ]" 1 
        144 1  16 SER HA   1  19 VAL HB   . .  4.900 2.732 2.732 2.732     . 0 0 "[ ]" 1 
        145 1  16 SER HA   1  19 VAL MG1  . .  5.900 3.966 3.966 3.966     . 0 0 "[ ]" 1 
        146 1  16 SER HA   1  19 VAL MG2  . .  7.000 3.300 3.300 3.300     . 0 0 "[ ]" 1 
        147 1  16 SER HA   1  20 ASN HD21 . .  6.000 2.968 2.968 2.968     . 0 0 "[ ]" 1 
        148 1  16 SER HA   1  20 ASN HD22 . .  6.000 3.576 3.576 3.576     . 0 0 "[ ]" 1 
        149 1  16 SER HA   1  63 LEU MD1  . .  6.700 5.181 5.181 5.181     . 0 0 "[ ]" 1 
        150 1  16 SER HA   1  65 GLY H    . .  5.600 3.766 3.766 3.766     . 0 0 "[ ]" 1 
        151 1  16 SER HA   1  65 GLY QA   . .  3.800 2.118 2.118 2.118     . 0 0 "[ ]" 1 
        152 1  16 SER HB2  1  17 GLU H    . .  4.200 2.672 2.672 2.672     . 0 0 "[ ]" 1 
        153 1  16 SER HB2  1  18 ILE H    . .  5.000 5.083 5.083 5.083 0.083 1 0 "[ ]" 1 
        154 1  16 SER HB2  1  19 VAL MG1  . .  7.000 6.249 6.249 6.249     . 0 0 "[ ]" 1 
        155 1  16 SER HB2  1  20 ASN HD21 . .  6.000 4.049 4.049 4.049     . 0 0 "[ ]" 1 
        156 1  16 SER HB2  1  65 GLY QA   . .  6.000 4.445 4.445 4.445     . 0 0 "[ ]" 1 
        157 1  16 SER HB3  1  17 GLU H    . .  4.900 3.987 3.987 3.987     . 0 0 "[ ]" 1 
        158 1  16 SER HB3  1  20 ASN HD21 . .  6.000 3.244 3.244 3.244     . 0 0 "[ ]" 1 
        159 1  16 SER HB3  1  61 ASP HB2  . .  6.000 4.941 4.941 4.941     . 0 0 "[ ]" 1 
        160 1  16 SER HB3  1  63 LEU MD1  . .  6.500 3.310 3.310 3.310     . 0 0 "[ ]" 1 
        161 1  16 SER HB3  1  65 GLY QA   . .  6.000 3.106 3.106 3.106     . 0 0 "[ ]" 1 
        162 1  17 GLU H    1  17 GLU HB3  . .  4.000 2.723 2.723 2.723     . 0 0 "[ ]" 1 
        163 1  17 GLU H    1  17 GLU QG   . .  4.300 4.009 4.009 4.009     . 0 0 "[ ]" 1 
        164 1  17 GLU H    1  18 ILE H    . .  3.100 2.573 2.573 2.573     . 0 0 "[ ]" 1 
        165 1  17 GLU H    1  18 ILE HG12 . .  6.000 3.921 3.921 3.921     . 0 0 "[ ]" 1 
        166 1  17 GLU HA   1  18 ILE H    . .  5.800 3.561 3.561 3.561     . 0 0 "[ ]" 1 
        167 1  17 GLU HA   1  19 VAL H    . .  6.000 3.761 3.761 3.761     . 0 0 "[ ]" 1 
        168 1  17 GLU HA   1  20 ASN H    . .  5.400 3.830 3.830 3.830     . 0 0 "[ ]" 1 
        169 1  17 GLU HB2  1  18 ILE H    . .  5.900 3.455 3.455 3.455     . 0 0 "[ ]" 1 
        170 1  17 GLU HB2  1  18 ILE MD   . .  7.000 5.823 5.823 5.823     . 0 0 "[ ]" 1 
        171 1  17 GLU HB3  1  17 GLU QG   . .  2.800 2.164 2.164 2.164     . 0 0 "[ ]" 1 
        172 1  17 GLU HB3  1  18 ILE H    . .  5.500 2.323 2.323 2.323     . 0 0 "[ ]" 1 
        173 1  17 GLU QG   1  18 ILE H    . .  6.000 3.843 3.843 3.843     . 0 0 "[ ]" 1 
        174 1  17 GLU QG   1  22 LYS HA   . .  6.000 6.259 6.259 6.259 0.259 1 0 "[ ]" 1 
        175 1  18 ILE H    1  18 ILE HB   . .  3.900 3.651 3.651 3.651     . 0 0 "[ ]" 1 
        176 1  18 ILE H    1  18 ILE MD   . .  5.300 3.670 3.670 3.670     . 0 0 "[ ]" 1 
        177 1  18 ILE H    1  18 ILE HG12 . .  4.200 1.985 1.985 1.985     . 0 0 "[ ]" 1 
        178 1  18 ILE H    1  18 ILE HG13 . .  4.000 2.815 2.815 2.815     . 0 0 "[ ]" 1 
        179 1  18 ILE H    1  18 ILE MG   . .  4.800 2.568 2.568 2.568     . 0 0 "[ ]" 1 
        180 1  18 ILE H    1  19 VAL H    . .  3.700 3.202 3.202 3.202     . 0 0 "[ ]" 1 
        181 1  18 ILE H    1  19 VAL MG1  . .  7.000 5.961 5.961 5.961     . 0 0 "[ ]" 1 
        182 1  18 ILE H    1  20 ASN H    . .  6.000 4.690 4.690 4.690     . 0 0 "[ ]" 1 
        183 1  18 ILE HA   1  18 ILE HG12 . .  4.200 3.773 3.773 3.773     . 0 0 "[ ]" 1 
        184 1  18 ILE HA   1  18 ILE HG13 . .  3.600 3.741 3.741 3.741 0.141 1 0 "[ ]" 1 
        185 1  18 ILE HA   1  19 VAL H    . .  4.900 2.691 2.691 2.691     . 0 0 "[ ]" 1 
        186 1  18 ILE HA   1  20 ASN H    . .  6.000 4.622 4.622 4.622     . 0 0 "[ ]" 1 
        187 1  18 ILE HA   1  22 LYS QG   . .  7.000 4.057 4.057 4.057     . 0 0 "[ ]" 1 
        188 1  18 ILE HA   1  23 THR HB   . .  6.000 3.006 3.006 3.006     . 0 0 "[ ]" 1 
        189 1  18 ILE HA   1  29 PRO HD2  . .  6.000 5.467 5.467 5.467     . 0 0 "[ ]" 1 
        190 1  18 ILE HB   1  18 ILE HG12 . .  2.900 3.042 3.042 3.042 0.142 1 0 "[ ]" 1 
        191 1  18 ILE HB   1  19 VAL H    . .  4.600 4.459 4.459 4.459     . 0 0 "[ ]" 1 
        192 1  18 ILE HB   1  23 THR HB   . .  6.000 2.313 2.313 2.313     . 0 0 "[ ]" 1 
        193 1  18 ILE HB   1  67 ILE QG   . .  7.000 3.369 3.369 3.369     . 0 0 "[ ]" 1 
        194 1  18 ILE MD   1  19 VAL H    . .  7.000 5.464 5.464 5.464     . 0 0 "[ ]" 1 
        195 1  18 ILE MD   1  35 ILE MD   . .  5.000 2.192 2.192 2.192     . 0 0 "[ ]" 1 
        196 1  18 ILE MD   1  37 VAL HB   . .  6.200 2.324 2.324 2.324     . 0 0 "[ ]" 1 
        197 1  18 ILE MD   1  37 VAL MG2  . .  5.400 2.205 2.205 2.205     . 0 0 "[ ]" 1 
        198 1  18 ILE HG12 1  19 VAL H    . .  6.000 4.736 4.736 4.736     . 0 0 "[ ]" 1 
        199 1  18 ILE HG12 1  37 VAL MG1  . .  6.000 5.590 5.590 5.590     . 0 0 "[ ]" 1 
        200 1  18 ILE HG12 1  37 VAL MG2  . .  6.800 3.349 3.349 3.349     . 0 0 "[ ]" 1 
        201 1  18 ILE HG13 1  18 ILE MG   . .  3.400 3.220 3.220 3.220     . 0 0 "[ ]" 1 
        202 1  18 ILE HG13 1  19 VAL H    . .  6.000 4.380 4.380 4.380     . 0 0 "[ ]" 1 
        203 1  18 ILE MG   1  19 VAL H    . .  6.900 4.264 4.264 4.264     . 0 0 "[ ]" 1 
        204 1  18 ILE MG   1  22 LYS HB3  . .  7.000 3.097 3.097 3.097     . 0 0 "[ ]" 1 
        205 1  18 ILE MG   1  22 LYS HD3  . .  7.000 3.583 3.583 3.583     . 0 0 "[ ]" 1 
        206 1  18 ILE MG   1  29 PRO HD2  . .  7.000 4.934 4.934 4.934     . 0 0 "[ ]" 1 
        207 1  18 ILE MG   1  29 PRO HD3  . .  6.800 4.558 4.558 4.558     . 0 0 "[ ]" 1 
        208 1  19 VAL H    1  19 VAL HB   . .  3.800 2.872 2.872 2.872     . 0 0 "[ ]" 1 
        209 1  19 VAL H    1  19 VAL MG1  . .  4.500 3.892 3.892 3.892     . 0 0 "[ ]" 1 
        210 1  19 VAL H    1  20 ASN H    . .  3.400 2.012 2.012 2.012     . 0 0 "[ ]" 1 
        211 1  19 VAL H    1  20 ASN HD22 . .  5.100 5.363 5.363 5.363 0.263 1 0 "[ ]" 1 
        212 1  19 VAL H    1  21 GLY H    . .  6.000 4.604 4.604 4.604     . 0 0 "[ ]" 1 
        213 1  19 VAL HA   1  19 VAL MG1  . .  3.600 2.520 2.520 2.520     . 0 0 "[ ]" 1 
        214 1  19 VAL HA   1  20 ASN H    . .  5.000 3.613 3.613 3.613     . 0 0 "[ ]" 1 
        215 1  19 VAL HA   1  67 ILE MD   . .  7.000 4.237 4.237 4.237     . 0 0 "[ ]" 1 
        216 1  19 VAL HB   1  20 ASN H    . .  4.700 2.465 2.465 2.465     . 0 0 "[ ]" 1 
        217 1  19 VAL HB   1  20 ASN HD22 . .  5.500 3.646 3.646 3.646     . 0 0 "[ ]" 1 
        218 1  19 VAL HB   1  67 ILE HB   . .  6.000 5.425 5.425 5.425     . 0 0 "[ ]" 1 
        219 1  19 VAL HB   1  67 ILE MD   . .  6.400 5.401 5.401 5.401     . 0 0 "[ ]" 1 
        220 1  19 VAL MG1  1  20 ASN H    . .  5.300 3.091 3.091 3.091     . 0 0 "[ ]" 1 
        221 1  19 VAL MG1  1  20 ASN HD21 . .  7.000 3.446 3.446 3.446     . 0 0 "[ ]" 1 
        222 1  19 VAL MG1  1  20 ASN HD22 . .  6.300 3.387 3.387 3.387     . 0 0 "[ ]" 1 
        223 1  19 VAL MG1  1  22 LYS H    . .  7.000 5.516 5.516 5.516     . 0 0 "[ ]" 1 
        224 1  19 VAL MG1  1  66 GLU H    . .  7.000 4.261 4.261 4.261     . 0 0 "[ ]" 1 
        225 1  19 VAL MG2  1  20 ASN H    . .  6.100 3.887 3.887 3.887     . 0 0 "[ ]" 1 
        226 1  19 VAL MG2  1  20 ASN HD21 . .  7.000 4.406 4.406 4.406     . 0 0 "[ ]" 1 
        227 1  19 VAL MG2  1  20 ASN HD22 . .  6.500 4.843 4.843 4.843     . 0 0 "[ ]" 1 
        228 1  19 VAL MG2  1  66 GLU H    . .  7.000 3.933 3.933 3.933     . 0 0 "[ ]" 1 
        229 1  19 VAL MG2  1  67 ILE MD   . .  5.900 2.847 2.847 2.847     . 0 0 "[ ]" 1 
        230 1  20 ASN H    1  20 ASN HB2  . .  4.300 2.393 2.393 2.393     . 0 0 "[ ]" 1 
        231 1  20 ASN H    1  20 ASN HB3  . .  4.200 3.601 3.601 3.601     . 0 0 "[ ]" 1 
        232 1  20 ASN H    1  20 ASN HD21 . .  4.400 2.141 2.141 2.141     . 0 0 "[ ]" 1 
        233 1  20 ASN H    1  20 ASN HD22 . .  6.000 3.600 3.600 3.600     . 0 0 "[ ]" 1 
        234 1  20 ASN H    1  21 GLY H    . .  4.200 3.952 3.952 3.952     . 0 0 "[ ]" 1 
        235 1  20 ASN H    1  22 LYS H    . .  6.000 5.088 5.088 5.088     . 0 0 "[ ]" 1 
        236 1  20 ASN H    1  22 LYS HB2  . .  6.000 4.444 4.444 4.444     . 0 0 "[ ]" 1 
        237 1  20 ASN H    1  24 ASP QB   . .  7.000 4.868 4.868 4.868     . 0 0 "[ ]" 1 
        238 1  20 ASN HA   1  21 GLY H    . .  5.400 2.353 2.353 2.353     . 0 0 "[ ]" 1 
        239 1  20 ASN HB2  1  20 ASN HD22 . .  4.300 3.619 3.619 3.619     . 0 0 "[ ]" 1 
        240 1  20 ASN HB2  1  21 GLY H    . .  4.400 4.540 4.540 4.540 0.140 1 0 "[ ]" 1 
        241 1  20 ASN HB3  1  20 ASN HD21 . .  3.500 3.578 3.578 3.578 0.078 1 0 "[ ]" 1 
        242 1  20 ASN HB3  1  21 GLY H    . .  4.500 4.203 4.203 4.203     . 0 0 "[ ]" 1 
        243 1  20 ASN HD21 1  21 GLY H    . .  6.000 5.598 5.598 5.598     . 0 0 "[ ]" 1 
        244 1  21 GLY H    1  22 LYS H    . .  5.100 2.687 2.687 2.687     . 0 0 "[ ]" 1 
        245 1  21 GLY H    1  25 THR H    . .  6.000 3.969 3.969 3.969     . 0 0 "[ ]" 1 
        246 1  21 GLY HA2  1  22 LYS H    . .  3.600 2.595 2.595 2.595     . 0 0 "[ ]" 1 
        247 1  21 GLY HA2  1  25 THR H    . .  6.000 4.031 4.031 4.031     . 0 0 "[ ]" 1 
        248 1  21 GLY HA2  1  25 THR HB   . .  6.000 2.808 2.808 2.808     . 0 0 "[ ]" 1 
        249 1  21 GLY HA2  1  28 LYS QG   . .  6.000 6.028 6.028 6.028 0.028 1 0 "[ ]" 1 
        250 1  21 GLY HA3  1  22 LYS H    . .  3.500 3.563 3.563 3.563 0.063 1 0 "[ ]" 1 
        251 1  21 GLY HA3  1  27 VAL MG2  . .  7.000 3.151 3.151 3.151     . 0 0 "[ ]" 1 
        252 1  21 GLY HA3  1  28 LYS QG   . .  6.000 5.673 5.673 5.673     . 0 0 "[ ]" 1 
        253 1  22 LYS H    1  22 LYS HB2  . .  4.000 2.936 2.936 2.936     . 0 0 "[ ]" 1 
        254 1  22 LYS H    1  22 LYS HB3  . .  3.800 3.927 3.927 3.927 0.127 1 0 "[ ]" 1 
        255 1  22 LYS H    1  22 LYS HD2  . .  5.200 5.330 5.330 5.330 0.130 1 0 "[ ]" 1 
        256 1  22 LYS H    1  22 LYS HD3  . .  6.000 5.677 5.677 5.677     . 0 0 "[ ]" 1 
        257 1  22 LYS H    1  22 LYS HE2  . .  6.000 6.118 6.118 6.118 0.118 1 0 "[ ]" 1 
        258 1  22 LYS H    1  22 LYS HE3  . .  6.000 5.971 5.971 5.971     . 0 0 "[ ]" 1 
        259 1  22 LYS H    1  23 THR H    . .  4.100 3.418 3.418 3.418     . 0 0 "[ ]" 1 
        260 1  22 LYS H    1  25 THR H    . .  6.000 2.884 2.884 2.884     . 0 0 "[ ]" 1 
        261 1  22 LYS H    1  26 GLY H    . .  6.000 4.395 4.395 4.395     . 0 0 "[ ]" 1 
        262 1  22 LYS H    1  27 VAL H    . .  3.900 3.996 3.996 3.996 0.096 1 0 "[ ]" 1 
        263 1  22 LYS H    1  27 VAL MG1  . .  7.000 4.686 4.686 4.686     . 0 0 "[ ]" 1 
        264 1  22 LYS H    1  27 VAL MG2  . .  7.000 2.979 2.979 2.979     . 0 0 "[ ]" 1 
        265 1  22 LYS HA   1  22 LYS HD2  . .  4.500 4.512 4.512 4.512 0.012 1 0 "[ ]" 1 
        266 1  22 LYS HA   1  22 LYS HD3  . .  5.200 3.929 3.929 3.929     . 0 0 "[ ]" 1 
        267 1  22 LYS HA   1  22 LYS HE3  . .  6.000 4.973 4.973 4.973     . 0 0 "[ ]" 1 
        268 1  22 LYS HA   1  23 THR H    . .  4.200 3.415 3.415 3.415     . 0 0 "[ ]" 1 
        269 1  22 LYS HA   1  24 ASP H    . .  6.000 5.597 5.597 5.597     . 0 0 "[ ]" 1 
        270 1  22 LYS HA   1  25 THR H    . .  6.000 5.104 5.104 5.104     . 0 0 "[ ]" 1 
        271 1  22 LYS HB2  1  22 LYS HE2  . .  4.900 4.671 4.671 4.671     . 0 0 "[ ]" 1 
        272 1  22 LYS HB2  1  22 LYS HE3  . .  4.500 4.455 4.455 4.455     . 0 0 "[ ]" 1 
        273 1  22 LYS HB2  1  23 THR H    . .  5.400 2.111 2.111 2.111     . 0 0 "[ ]" 1 
        274 1  22 LYS HB2  1  24 ASP H    . .  5.500 4.295 4.295 4.295     . 0 0 "[ ]" 1 
        275 1  22 LYS HB2  1  25 THR H    . .  6.000 5.174 5.174 5.174     . 0 0 "[ ]" 1 
        276 1  22 LYS HB2  1  26 GLY H    . .  6.000 6.091 6.091 6.091 0.091 1 0 "[ ]" 1 
        277 1  22 LYS HB2  1  27 VAL H    . .  6.000 5.724 5.724 5.724     . 0 0 "[ ]" 1 
        278 1  22 LYS HB2  1  29 PRO HG3  . .  6.000 4.244 4.244 4.244     . 0 0 "[ ]" 1 
        279 1  22 LYS HB3  1  23 THR H    . .  5.200 2.215 2.215 2.215     . 0 0 "[ ]" 1 
        280 1  22 LYS HB3  1  23 THR HA   . .  6.000 4.292 4.292 4.292     . 0 0 "[ ]" 1 
        281 1  22 LYS HB3  1  23 THR HB   . .  6.000 4.359 4.359 4.359     . 0 0 "[ ]" 1 
        282 1  22 LYS HB3  1  25 THR H    . .  6.000 6.005 6.005 6.005 0.005 1 0 "[ ]" 1 
        283 1  22 LYS HB3  1  27 VAL H    . .  6.000 5.376 5.376 5.376     . 0 0 "[ ]" 1 
        284 1  22 LYS HD2  1  23 THR H    . .  6.000 4.569 4.569 4.569     . 0 0 "[ ]" 1 
        285 1  22 LYS HD3  1  28 LYS HB2  . .  6.000 3.925 3.925 3.925     . 0 0 "[ ]" 1 
        286 1  22 LYS HE2  1  28 LYS HB2  . .  6.000 3.753 3.753 3.753     . 0 0 "[ ]" 1 
        287 1  22 LYS QG   1  23 THR H    . .  7.000 3.904 3.904 3.904     . 0 0 "[ ]" 1 
        288 1  22 LYS QG   1  24 ASP H    . .  7.000 5.875 5.875 5.875     . 0 0 "[ ]" 1 
        289 1  22 LYS QG   1  25 THR H    . .  7.000 5.827 5.827 5.827     . 0 0 "[ ]" 1 
        290 1  22 LYS QG   1  29 PRO HG3  . .  7.000 4.550 4.550 4.550     . 0 0 "[ ]" 1 
        291 1  23 THR H    1  23 THR HB   . .  3.800 2.323 2.323 2.323     . 0 0 "[ ]" 1 
        292 1  23 THR H    1  23 THR MG   . .  4.800 3.684 3.684 3.684     . 0 0 "[ ]" 1 
        293 1  23 THR H    1  24 ASP H    . .  4.600 3.007 3.007 3.007     . 0 0 "[ ]" 1 
        294 1  23 THR H    1  25 THR H    . .  6.000 4.515 4.515 4.515     . 0 0 "[ ]" 1 
        295 1  23 THR HA   1  24 ASP H    . .  3.800 3.618 3.618 3.618     . 0 0 "[ ]" 1 
        296 1  23 THR HA   1  24 ASP HA   . .  5.000 5.002 5.002 5.002 0.002 1 0 "[ ]" 1 
        297 1  23 THR HA   1  25 THR H    . .  5.100 4.735 4.735 4.735     . 0 0 "[ ]" 1 
        298 1  23 THR HA   1  26 GLY HA2  . .  4.600 3.232 3.232 3.232     . 0 0 "[ ]" 1 
        299 1  23 THR HA   1  26 GLY HA3  . .  4.800 4.813 4.813 4.813 0.013 1 0 "[ ]" 1 
        300 1  23 THR HA   1  27 VAL H    . .  6.000 4.499 4.499 4.499     . 0 0 "[ ]" 1 
        301 1  23 THR HA   1  31 ALA HA   . .  6.000 6.028 6.028 6.028 0.028 1 0 "[ ]" 1 
        302 1  23 THR HB   1  24 ASP H    . .  5.700 2.273 2.273 2.273     . 0 0 "[ ]" 1 
        303 1  23 THR HB   1  25 THR H    . .  6.000 5.057 5.057 5.057     . 0 0 "[ ]" 1 
        304 1  23 THR MG   1  24 ASP H    . .  6.100 2.834 2.834 2.834     . 0 0 "[ ]" 1 
        305 1  23 THR MG   1  24 ASP HA   . .  6.200 3.298 3.298 3.298     . 0 0 "[ ]" 1 
        306 1  23 THR MG   1  24 ASP QB   . .  8.000 3.999 3.999 3.999     . 0 0 "[ ]" 1 
        307 1  23 THR MG   1  25 THR H    . .  7.000 4.971 4.971 4.971     . 0 0 "[ ]" 1 
        308 1  23 THR MG   1  67 ILE MD   . .  7.000 2.807 2.807 2.807     . 0 0 "[ ]" 1 
        309 1  23 THR MG   1  67 ILE QG   . .  6.800 3.756 3.756 3.756     . 0 0 "[ ]" 1 
        310 1  23 THR MG   1  91 LEU MD1  . .  6.000 1.874 1.874 1.874     . 0 0 "[ ]" 1 
        311 1  23 THR MG   1  95 GLY H    . .  7.000 3.058 3.058 3.058     . 0 0 "[ ]" 1 
        312 1  23 THR MG   1  95 GLY HA2  . .  7.000 2.159 2.159 2.159     . 0 0 "[ ]" 1 
        313 1  24 ASP H    1  25 THR H    . .  4.000 3.066 3.066 3.066     . 0 0 "[ ]" 1 
        314 1  24 ASP H    1  26 GLY H    . .  6.000 4.053 4.053 4.053     . 0 0 "[ ]" 1 
        315 1  24 ASP HA   1  25 THR H    . .  4.600 3.533 3.533 3.533     . 0 0 "[ ]" 1 
        316 1  24 ASP HA   1  26 GLY H    . .  6.000 4.143 4.143 4.143     . 0 0 "[ ]" 1 
        317 1  24 ASP HA   1  26 GLY HA2  . .  6.000 5.977 5.977 5.977     . 0 0 "[ ]" 1 
        318 1  24 ASP HA   1  67 ILE QG   . .  7.000 5.676 5.676 5.676     . 0 0 "[ ]" 1 
        319 1  24 ASP HA   1  95 GLY HA2  . .  5.600 2.922 2.922 2.922     . 0 0 "[ ]" 1 
        320 1  24 ASP QB   1  25 THR H    . .  5.700 2.260 2.260 2.260     . 0 0 "[ ]" 1 
        321 1  24 ASP QB   1  25 THR MG   . .  8.000 4.588 4.588 4.588     . 0 0 "[ ]" 1 
        322 1  25 THR H    1  25 THR MG   . .  4.800 3.529 3.529 3.529     . 0 0 "[ ]" 1 
        323 1  25 THR H    1  26 GLY H    . .  3.400 2.728 2.728 2.728     . 0 0 "[ ]" 1 
        324 1  25 THR H    1  27 VAL H    . .  6.000 4.192 4.192 4.192     . 0 0 "[ ]" 1 
        325 1  25 THR HA   1  25 THR MG   . .  3.500 2.237 2.237 2.237     . 0 0 "[ ]" 1 
        326 1  25 THR HA   1  26 GLY H    . .  3.600 3.358 3.358 3.358     . 0 0 "[ ]" 1 
        327 1  25 THR HA   1  26 GLY HA2  . .  6.000 5.253 5.253 5.253     . 0 0 "[ ]" 1 
        328 1  25 THR HA   1  26 GLY HA3  . .  5.800 4.723 4.723 4.723     . 0 0 "[ ]" 1 
        329 1  25 THR HA   1  27 VAL H    . .  6.000 4.846 4.846 4.846     . 0 0 "[ ]" 1 
        330 1  25 THR HA   1  27 VAL MG1  . .  7.000 4.011 4.011 4.011     . 0 0 "[ ]" 1 
        331 1  25 THR HA   1  27 VAL MG2  . .  7.000 4.870 4.870 4.870     . 0 0 "[ ]" 1 
        332 1  25 THR HB   1  26 GLY H    . .  4.100 3.601 3.601 3.601     . 0 0 "[ ]" 1 
        333 1  25 THR HB   1  27 VAL H    . .  5.800 3.024 3.024 3.024     . 0 0 "[ ]" 1 
        334 1  25 THR HB   1  27 VAL HA   . .  6.000 4.814 4.814 4.814     . 0 0 "[ ]" 1 
        335 1  25 THR HB   1  27 VAL HB   . .  6.000 4.650 4.650 4.650     . 0 0 "[ ]" 1 
        336 1  25 THR HB   1  27 VAL MG1  . .  6.600 2.246 2.246 2.246     . 0 0 "[ ]" 1 
        337 1  25 THR HB   1  27 VAL MG2  . .  6.600 2.325 2.325 2.325     . 0 0 "[ ]" 1 
        338 1  25 THR MG   1  26 GLY H    . .  5.900 4.425 4.425 4.425     . 0 0 "[ ]" 1 
        339 1  25 THR MG   1  26 GLY HA2  . .  7.000 5.699 5.699 5.699     . 0 0 "[ ]" 1 
        340 1  25 THR MG   1  27 VAL H    . .  6.700 4.365 4.365 4.365     . 0 0 "[ ]" 1 
        341 1  25 THR MG   1  27 VAL HB   . .  5.900 4.910 4.910 4.910     . 0 0 "[ ]" 1 
        342 1  25 THR MG   1  27 VAL MG1  . .  5.700 2.404 2.404 2.404     . 0 0 "[ ]" 1 
        343 1  25 THR MG   1  27 VAL MG2  . .  5.700 3.407 3.407 3.407     . 0 0 "[ ]" 1 
        344 1  26 GLY H    1  27 VAL H    . .  3.800 2.977 2.977 2.977     . 0 0 "[ ]" 1 
        345 1  26 GLY H    1  27 VAL HA   . .  5.900 5.441 5.441 5.441     . 0 0 "[ ]" 1 
        346 1  26 GLY H    1  28 LYS H    . .  6.000 4.966 4.966 4.966     . 0 0 "[ ]" 1 
        347 1  26 GLY HA2  1  27 VAL H    . .  5.000 2.854 2.854 2.854     . 0 0 "[ ]" 1 
        348 1  26 GLY HA2  1  29 PRO HD2  . .  6.000 4.382 4.382 4.382     . 0 0 "[ ]" 1 
        349 1  26 GLY HA2  1  29 PRO HG2  . .  6.000 4.232 4.232 4.232     . 0 0 "[ ]" 1 
        350 1  26 GLY HA3  1  27 VAL H    . .  4.400 3.616 3.616 3.616     . 0 0 "[ ]" 1 
        351 1  27 VAL H    1  27 VAL HB   . .  4.300 3.771 3.771 3.771     . 0 0 "[ ]" 1 
        352 1  27 VAL H    1  27 VAL MG1  . .  4.300 2.777 2.777 2.777     . 0 0 "[ ]" 1 
        353 1  27 VAL H    1  27 VAL MG2  . .  4.100 2.034 2.034 2.034     . 0 0 "[ ]" 1 
        354 1  27 VAL H    1  28 LYS H    . .  6.000 2.384 2.384 2.384     . 0 0 "[ ]" 1 
        355 1  27 VAL H    1  28 LYS HB2  . .  6.000 4.616 4.616 4.616     . 0 0 "[ ]" 1 
        356 1  27 VAL HA   1  28 LYS H    . .  3.600 3.559 3.559 3.559     . 0 0 "[ ]" 1 
        357 1  27 VAL HA   1  28 LYS QD   . .  7.000 5.909 5.909 5.909     . 0 0 "[ ]" 1 
        358 1  27 VAL HA   1  28 LYS QG   . .  6.000 4.750 4.750 4.750     . 0 0 "[ ]" 1 
        359 1  27 VAL HB   1  28 LYS H    . .  6.000 3.734 3.734 3.734     . 0 0 "[ ]" 1 
        360 1  27 VAL MG1  1  28 LYS H    . .  4.200 4.125 4.125 4.125     . 0 0 "[ ]" 1 
        361 1  27 VAL MG2  1  28 LYS H    . .  6.000 2.264 2.264 2.264     . 0 0 "[ ]" 1 
        362 1  27 VAL MG2  1  28 LYS HA   . .  7.000 4.003 4.003 4.003     . 0 0 "[ ]" 1 
        363 1  27 VAL MG2  1  28 LYS QG   . .  5.000 2.576 2.576 2.576     . 0 0 "[ ]" 1 
        364 1  28 LYS H    1  28 LYS HB3  . .  4.100 3.652 3.652 3.652     . 0 0 "[ ]" 1 
        365 1  28 LYS H    1  28 LYS HE2  . .  6.000 5.639 5.639 5.639     . 0 0 "[ ]" 1 
        366 1  28 LYS H    1  28 LYS HE3  . .  6.000 6.049 6.049 6.049 0.049 1 0 "[ ]" 1 
        367 1  28 LYS H    1  28 LYS QG   . .  4.500 3.085 3.085 3.085     . 0 0 "[ ]" 1 
        368 1  28 LYS H    1  29 PRO HD2  . .  6.000 2.209 2.209 2.209     . 0 0 "[ ]" 1 
        369 1  28 LYS H    1  29 PRO HD3  . .  6.000 3.504 3.504 3.504     . 0 0 "[ ]" 1 
        370 1  28 LYS HA   1  28 LYS HE3  . .  4.800 4.733 4.733 4.733     . 0 0 "[ ]" 1 
        371 1  28 LYS HA   1  29 PRO HD2  . .  4.800 4.024 4.024 4.024     . 0 0 "[ ]" 1 
        372 1  28 LYS HA   1  29 PRO HD3  . .  5.400 4.116 4.116 4.116     . 0 0 "[ ]" 1 
        373 1  28 LYS HB2  1  28 LYS HE2  . .  5.100 4.873 4.873 4.873     . 0 0 "[ ]" 1 
        374 1  28 LYS HB2  1  29 PRO HD2  . .  6.000 2.373 2.373 2.373     . 0 0 "[ ]" 1 
        375 1  28 LYS HB2  1  29 PRO HD3  . .  6.000 2.231 2.231 2.231     . 0 0 "[ ]" 1 
        376 1  28 LYS HB3  1  28 LYS HE2  . .  4.800 4.622 4.622 4.622     . 0 0 "[ ]" 1 
        377 1  28 LYS HB3  1  29 PRO HB3  . .  6.000 4.564 4.564 4.564     . 0 0 "[ ]" 1 
        378 1  28 LYS HB3  1  29 PRO HD2  . .  6.000 3.408 3.408 3.408     . 0 0 "[ ]" 1 
        379 1  28 LYS HB3  1  29 PRO HD3  . .  6.000 2.451 2.451 2.451     . 0 0 "[ ]" 1 
        380 1  28 LYS HB3  1  29 PRO HG2  . .  6.000 5.232 5.232 5.232     . 0 0 "[ ]" 1 
        381 1  29 PRO HA   1  29 PRO HG2  . .  4.000 3.825 3.825 3.825     . 0 0 "[ ]" 1 
        382 1  29 PRO HA   1  30 GLU H    . .  3.800 2.245 2.245 2.245     . 0 0 "[ ]" 1 
        383 1  29 PRO HA   1  30 GLU QG   . .  7.000 3.891 3.891 3.891     . 0 0 "[ ]" 1 
        384 1  29 PRO HA   1  33 GLN HE21 . .  6.000 2.990 2.990 2.990     . 0 0 "[ ]" 1 
        385 1  29 PRO HA   1  33 GLN HE22 . .  6.000 2.019 2.019 2.019     . 0 0 "[ ]" 1 
        386 1  29 PRO HA   1  35 ILE MG   . .  7.000 5.558 5.558 5.558     . 0 0 "[ ]" 1 
        387 1  29 PRO HB2  1  30 GLU H    . .  4.500 3.933 3.933 3.933     . 0 0 "[ ]" 1 
        388 1  29 PRO HB2  1  30 GLU QG   . .  7.000 5.625 5.625 5.625     . 0 0 "[ ]" 1 
        389 1  29 PRO HB2  1  35 ILE MD   . .  7.000 4.314 4.314 4.314     . 0 0 "[ ]" 1 
        390 1  29 PRO HB3  1  30 GLU H    . .  5.400 4.340 4.340 4.340     . 0 0 "[ ]" 1 
        391 1  29 PRO HB3  1  35 ILE MD   . .  6.600 4.513 4.513 4.513     . 0 0 "[ ]" 1 
        392 1  29 PRO HG2  1  30 GLU H    . .  6.000 4.987 4.987 4.987     . 0 0 "[ ]" 1 
        393 1  29 PRO HG2  1  35 ILE MD   . .  6.700 5.088 5.088 5.088     . 0 0 "[ ]" 1 
        394 1  29 PRO HG3  1  30 GLU H    . .  5.900 5.873 5.873 5.873     . 0 0 "[ ]" 1 
        395 1  30 GLU H    1  30 GLU HB3  . .  3.900 3.532 3.532 3.532     . 0 0 "[ ]" 1 
        396 1  30 GLU H    1  31 ALA H    . .  4.900 4.626 4.626 4.626     . 0 0 "[ ]" 1 
        397 1  30 GLU H    1  31 ALA MB   . .  7.000 5.882 5.882 5.882     . 0 0 "[ ]" 1 
        398 1  30 GLU H    1  33 GLN HB2  . .  5.600 5.070 5.070 5.070     . 0 0 "[ ]" 1 
        399 1  30 GLU H    1  33 GLN HB3  . .  6.000 6.007 6.007 6.007 0.007 1 0 "[ ]" 1 
        400 1  30 GLU H    1  33 GLN HE21 . .  5.700 2.384 2.384 2.384     . 0 0 "[ ]" 1 
        401 1  30 GLU H    1  33 GLN HE22 . .  6.000 2.178 2.178 2.178     . 0 0 "[ ]" 1 
        402 1  30 GLU H    1  33 GLN HG3  . .  6.000 4.366 4.366 4.366     . 0 0 "[ ]" 1 
        403 1  30 GLU HA   1  31 ALA H    . .  3.800 2.348 2.348 2.348     . 0 0 "[ ]" 1 
        404 1  30 GLU HA   1  31 ALA HA   . .  6.000 4.375 4.375 4.375     . 0 0 "[ ]" 1 
        405 1  30 GLU HA   1  31 ALA MB   . .  5.900 4.122 4.122 4.122     . 0 0 "[ ]" 1 
        406 1  30 GLU HB2  1  31 ALA H    . .  4.500 3.832 3.832 3.832     . 0 0 "[ ]" 1 
        407 1  30 GLU HB2  1  31 ALA MB   . .  6.600 5.048 5.048 5.048     . 0 0 "[ ]" 1 
        408 1  30 GLU HB2  1  33 GLN HE22 . .  6.000 3.569 3.569 3.569     . 0 0 "[ ]" 1 
        409 1  30 GLU HB3  1  31 ALA H    . .  4.300 2.842 2.842 2.842     . 0 0 "[ ]" 1 
        410 1  30 GLU HB3  1  33 GLN HE21 . .  6.000 4.326 4.326 4.326     . 0 0 "[ ]" 1 
        411 1  30 GLU HB3  1  33 GLN HE22 . .  6.000 5.144 5.144 5.144     . 0 0 "[ ]" 1 
        412 1  30 GLU HB3  1  33 GLN HG2  . .  6.000 6.269 6.269 6.269 0.269 1 0 "[ ]" 1 
        413 1  30 GLU HB3  1  33 GLN HG3  . .  6.000 4.824 4.824 4.824     . 0 0 "[ ]" 1 
        414 1  30 GLU QG   1  31 ALA H    . .  7.000 4.175 4.175 4.175     . 0 0 "[ ]" 1 
        415 1  30 GLU QG   1  33 GLN HE21 . .  7.000 4.048 4.048 4.048     . 0 0 "[ ]" 1 
        416 1  30 GLU QG   1  33 GLN HE22 . .  7.000 3.772 3.772 3.772     . 0 0 "[ ]" 1 
        417 1  31 ALA H    1  31 ALA MB   . .  3.400 2.219 2.219 2.219     . 0 0 "[ ]" 1 
        418 1  31 ALA H    1  32 GLY H    . .  5.100 4.718 4.718 4.718     . 0 0 "[ ]" 1 
        419 1  31 ALA H    1  91 LEU MD2  . .  7.000 6.655 6.655 6.655     . 0 0 "[ ]" 1 
        420 1  31 ALA HA   1  32 GLY H    . .  3.100 2.509 2.509 2.509     . 0 0 "[ ]" 1 
        421 1  31 ALA HA   1  32 GLY HA2  . .  6.000 4.661 4.661 4.661     . 0 0 "[ ]" 1 
        422 1  31 ALA HA   1  32 GLY HA3  . .  6.000 4.626 4.626 4.626     . 0 0 "[ ]" 1 
        423 1  31 ALA HA   1  33 GLN H    . .  6.000 3.372 3.372 3.372     . 0 0 "[ ]" 1 
        424 1  31 ALA HA   1  91 LEU HB2  . .  6.000 2.692 2.692 2.692     . 0 0 "[ ]" 1 
        425 1  31 ALA HA   1  91 LEU MD1  . .  7.000 3.335 3.335 3.335     . 0 0 "[ ]" 1 
        426 1  31 ALA HA   1  91 LEU MD2  . .  7.000 4.553 4.553 4.553     . 0 0 "[ ]" 1 
        427 1  31 ALA HA   1  91 LEU HG   . .  6.000 3.383 3.383 3.383     . 0 0 "[ ]" 1 
        428 1  31 ALA HA   1  97 LEU QD   . .  7.000 5.679 5.679 5.679     . 0 0 "[ ]" 1 
        429 1  31 ALA MB   1  32 GLY H    . .  4.000 2.550 2.550 2.550     . 0 0 "[ ]" 1 
        430 1  31 ALA MB   1  33 GLN H    . .  5.700 4.406 4.406 4.406     . 0 0 "[ ]" 1 
        431 1  31 ALA MB   1  91 LEU HA   . .  7.000 4.862 4.862 4.862     . 0 0 "[ ]" 1 
        432 1  31 ALA MB   1  91 LEU HB2  . .  7.000 3.896 3.896 3.896     . 0 0 "[ ]" 1 
        433 1  31 ALA MB   1  92 GLY QA   . .  6.100 3.983 3.983 3.983     . 0 0 "[ ]" 1 
        434 1  31 ALA MB   1  93 GLU H    . .  7.000 5.158 5.158 5.158     . 0 0 "[ ]" 1 
        435 1  31 ALA MB   1  93 GLU HA   . .  5.700 4.248 4.248 4.248     . 0 0 "[ ]" 1 
        436 1  31 ALA MB   1  93 GLU HB2  . .  7.000 6.204 6.204 6.204     . 0 0 "[ ]" 1 
        437 1  31 ALA MB   1  93 GLU QG   . .  7.000 5.300 5.300 5.300     . 0 0 "[ ]" 1 
        438 1  31 ALA MB   1  94 ASP H    . .  7.000 2.554 2.554 2.554     . 0 0 "[ ]" 1 
        439 1  31 ALA MB   1  95 GLY H    . .  7.000 4.016 4.016 4.016     . 0 0 "[ ]" 1 
        440 1  32 GLY H    1  33 GLN H    . .  3.400 2.687 2.687 2.687     . 0 0 "[ ]" 1 
        441 1  32 GLY H    1  90 VAL MG1  . .  5.500 4.822 4.822 4.822     . 0 0 "[ ]" 1 
        442 1  32 GLY H    1  91 LEU HB2  . .  6.000 2.417 2.417 2.417     . 0 0 "[ ]" 1 
        443 1  32 GLY H    1  91 LEU HB3  . .  6.000 2.728 2.728 2.728     . 0 0 "[ ]" 1 
        444 1  32 GLY H    1  97 LEU QD   . .  7.000 6.069 6.069 6.069     . 0 0 "[ ]" 1 
        445 1  32 GLY HA2  1  33 GLN H    . .  4.500 3.333 3.333 3.333     . 0 0 "[ ]" 1 
        446 1  32 GLY HA2  1  90 VAL MG1  . .  5.600 4.137 4.137 4.137     . 0 0 "[ ]" 1 
        447 1  32 GLY HA3  1  33 GLN H    . .  3.600 3.369 3.369 3.369     . 0 0 "[ ]" 1 
        448 1  32 GLY HA3  1  90 VAL MG1  . .  6.000 5.587 5.587 5.587     . 0 0 "[ ]" 1 
        449 1  33 GLN H    1  33 GLN HB2  . .  3.700 2.411 2.411 2.411     . 0 0 "[ ]" 1 
        450 1  33 GLN H    1  33 GLN HB3  . .  4.300 3.634 3.634 3.634     . 0 0 "[ ]" 1 
        451 1  33 GLN H    1  33 GLN HE21 . .  5.100 3.803 3.803 3.803     . 0 0 "[ ]" 1 
        452 1  33 GLN H    1  33 GLN HE22 . .  6.000 5.412 5.412 5.412     . 0 0 "[ ]" 1 
        453 1  33 GLN H    1  33 GLN HG2  . .  4.200 3.784 3.784 3.784     . 0 0 "[ ]" 1 
        454 1  33 GLN H    1  33 GLN HG3  . .  3.800 2.671 2.671 2.671     . 0 0 "[ ]" 1 
        455 1  33 GLN H    1  34 ARG H    . .  4.800 4.627 4.627 4.627     . 0 0 "[ ]" 1 
        456 1  33 GLN H    1  90 VAL HB   . .  6.000 6.027 6.027 6.027 0.027 1 0 "[ ]" 1 
        457 1  33 GLN H    1  90 VAL MG1  . .  7.000 5.586 5.586 5.586     . 0 0 "[ ]" 1 
        458 1  33 GLN H    1  91 LEU H    . .  4.100 3.258 3.258 3.258     . 0 0 "[ ]" 1 
        459 1  33 GLN H    1  91 LEU HB2  . .  6.000 2.197 2.197 2.197     . 0 0 "[ ]" 1 
        460 1  33 GLN H    1  91 LEU HB3  . .  6.000 3.704 3.704 3.704     . 0 0 "[ ]" 1 
        461 1  33 GLN H    1  97 LEU QD   . .  7.000 6.257 6.257 6.257     . 0 0 "[ ]" 1 
        462 1  33 GLN HA   1  33 GLN HG2  . .  4.100 2.452 2.452 2.452     . 0 0 "[ ]" 1 
        463 1  33 GLN HA   1  33 GLN HG3  . .  4.300 3.052 3.052 3.052     . 0 0 "[ ]" 1 
        464 1  33 GLN HA   1  34 ARG H    . .  3.400 2.301 2.301 2.301     . 0 0 "[ ]" 1 
        465 1  33 GLN HA   1  35 ILE MG   . .  6.100 5.109 5.109 5.109     . 0 0 "[ ]" 1 
        466 1  33 GLN HA   1  90 VAL MG1  . .  7.000 6.098 6.098 6.098     . 0 0 "[ ]" 1 
        467 1  33 GLN HB2  1  34 ARG H    . .  4.700 4.014 4.014 4.014     . 0 0 "[ ]" 1 
        468 1  33 GLN HB2  1  35 ILE MG   . .  6.300 3.603 3.603 3.603     . 0 0 "[ ]" 1 
        469 1  33 GLN HB3  1  34 ARG H    . .  4.700 2.885 2.885 2.885     . 0 0 "[ ]" 1 
        470 1  33 GLN HB3  1  35 ILE MG   . .  6.900 3.516 3.516 3.516     . 0 0 "[ ]" 1 
        471 1  33 GLN HE21 1  35 ILE MG   . .  7.000 5.253 5.253 5.253     . 0 0 "[ ]" 1 
        472 1  33 GLN HE22 1  33 GLN HG2  . .  4.300 4.103 4.103 4.103     . 0 0 "[ ]" 1 
        473 1  33 GLN HE22 1  33 GLN HG3  . .  4.300 3.571 3.571 3.571     . 0 0 "[ ]" 1 
        474 1  33 GLN HE22 1  35 ILE MG   . .  7.000 5.387 5.387 5.387     . 0 0 "[ ]" 1 
        475 1  33 GLN HG3  1  34 ARG H    . .  6.000 5.041 5.041 5.041     . 0 0 "[ ]" 1 
        476 1  33 GLN HG3  1  35 ILE MG   . .  7.000 5.687 5.687 5.687     . 0 0 "[ ]" 1 
        477 1  34 ARG H    1  34 ARG HB2  . .  3.900 2.472 2.472 2.472     . 0 0 "[ ]" 1 
        478 1  34 ARG H    1  34 ARG HB3  . .  3.900 3.623 3.623 3.623     . 0 0 "[ ]" 1 
        479 1  34 ARG H    1  34 ARG HG2  . .  4.400 3.765 3.765 3.765     . 0 0 "[ ]" 1 
        480 1  34 ARG H    1  34 ARG HG3  . .  5.600 3.180 3.180 3.180     . 0 0 "[ ]" 1 
        481 1  34 ARG H    1  35 ILE H    . .  5.400 4.548 4.548 4.548     . 0 0 "[ ]" 1 
        482 1  34 ARG H    1  90 VAL MG1  . .  6.200 6.153 6.153 6.153     . 0 0 "[ ]" 1 
        483 1  34 ARG HA   1  34 ARG HG2  . .  4.200 2.437 2.437 2.437     . 0 0 "[ ]" 1 
        484 1  34 ARG HA   1  34 ARG HG3  . .  4.500 3.421 3.421 3.421     . 0 0 "[ ]" 1 
        485 1  34 ARG HA   1  35 ILE H    . .  3.600 2.161 2.161 2.161     . 0 0 "[ ]" 1 
        486 1  34 ARG HA   1  90 VAL HA   . .  3.400 2.155 2.155 2.155     . 0 0 "[ ]" 1 
        487 1  34 ARG HA   1  90 VAL MG1  . .  7.000 4.798 4.798 4.798     . 0 0 "[ ]" 1 
        488 1  34 ARG HA   1  90 VAL MG2  . .  7.000 3.200 3.200 3.200     . 0 0 "[ ]" 1 
        489 1  34 ARG HA   1  91 LEU H    . .  3.500 3.512 3.512 3.512 0.012 1 0 "[ ]" 1 
        490 1  34 ARG HB2  1  35 ILE H    . .  5.600 4.064 4.064 4.064     . 0 0 "[ ]" 1 
        491 1  34 ARG HB2  1  90 VAL HA   . .  6.000 5.058 5.058 5.058     . 0 0 "[ ]" 1 
        492 1  34 ARG HB3  1  35 ILE H    . .  5.100 2.850 2.850 2.850     . 0 0 "[ ]" 1 
        493 1  34 ARG HB3  1  90 VAL HA   . .  6.000 4.385 4.385 4.385     . 0 0 "[ ]" 1 
        494 1  34 ARG HB3  1  90 VAL HB   . .  4.600 5.054 5.054 5.054 0.454 1 0 "[ ]" 1 
        495 1  34 ARG HB3  1  90 VAL MG2  . .  6.200 4.984 4.984 4.984     . 0 0 "[ ]" 1 
        496 1  34 ARG QD   1  88 GLN HE21 . .  7.000 5.598 5.598 5.598     . 0 0 "[ ]" 1 
        497 1  34 ARG QD   1  90 VAL MG2  . .  8.000 4.981 4.981 4.981     . 0 0 "[ ]" 1 
        498 1  34 ARG HG2  1  35 ILE H    . .  6.000 4.074 4.074 4.074     . 0 0 "[ ]" 1 
        499 1  34 ARG HG2  1  90 VAL HA   . .  6.000 3.207 3.207 3.207     . 0 0 "[ ]" 1 
        500 1  34 ARG HG2  1  90 VAL HB   . .  5.600 2.664 2.664 2.664     . 0 0 "[ ]" 1 
        501 1  34 ARG HG2  1  90 VAL MG2  . .  5.300 3.330 3.330 3.330     . 0 0 "[ ]" 1 
        502 1  34 ARG HG3  1  35 ILE H    . .  6.000 5.157 5.157 5.157     . 0 0 "[ ]" 1 
        503 1  35 ILE H    1  35 ILE HB   . .  4.300 4.005 4.005 4.005     . 0 0 "[ ]" 1 
        504 1  35 ILE H    1  35 ILE MD   . .  5.200 4.336 4.336 4.336     . 0 0 "[ ]" 1 
        505 1  35 ILE H    1  35 ILE HG12 . .  4.600 2.792 2.792 2.792     . 0 0 "[ ]" 1 
        506 1  35 ILE H    1  35 ILE HG13 . .  4.200 3.375 3.375 3.375     . 0 0 "[ ]" 1 
        507 1  35 ILE H    1  35 ILE MG   . .  4.300 3.269 3.269 3.269     . 0 0 "[ ]" 1 
        508 1  35 ILE H    1  36 ARG H    . .  6.000 4.371 4.371 4.371     . 0 0 "[ ]" 1 
        509 1  35 ILE H    1  89 GLY H    . .  3.300 3.320 3.320 3.320 0.020 1 0 "[ ]" 1 
        510 1  35 ILE H    1  90 VAL HA   . .  3.300 3.367 3.367 3.367 0.067 1 0 "[ ]" 1 
        511 1  35 ILE HA   1  36 ARG H    . .  3.100 2.637 2.637 2.637     . 0 0 "[ ]" 1 
        512 1  35 ILE HB   1  36 ARG H    . .  3.900 2.406 2.406 2.406     . 0 0 "[ ]" 1 
        513 1  35 ILE HB   1  91 LEU MD2  . .  7.000 4.301 4.301 4.301     . 0 0 "[ ]" 1 
        514 1  35 ILE MD   1  36 ARG H    . .  7.000 3.953 3.953 3.953     . 0 0 "[ ]" 1 
        515 1  35 ILE MD   1  37 VAL HB   . .  6.700 3.601 3.601 3.601     . 0 0 "[ ]" 1 
        516 1  35 ILE MD   1  37 VAL MG1  . .  7.100 4.565 4.565 4.565     . 0 0 "[ ]" 1 
        517 1  35 ILE MD   1  37 VAL MG2  . .  6.200 4.290 4.290 4.290     . 0 0 "[ ]" 1 
        518 1  35 ILE MD   1  91 LEU H    . .  7.000 5.229 5.229 5.229     . 0 0 "[ ]" 1 
        519 1  35 ILE MD   1  91 LEU HB3  . .  7.000 5.680 5.680 5.680     . 0 0 "[ ]" 1 
        520 1  35 ILE MD   1  91 LEU MD1  . .  5.700 3.242 3.242 3.242     . 0 0 "[ ]" 1 
        521 1  35 ILE MD   1  91 LEU MD2  . .  5.600 2.106 2.106 2.106     . 0 0 "[ ]" 1 
        522 1  35 ILE MD   1  97 LEU QD   . .  6.400 2.563 2.563 2.563     . 0 0 "[ ]" 1 
        523 1  35 ILE HG12 1  36 ARG H    . .  6.000 4.510 4.510 4.510     . 0 0 "[ ]" 1 
        524 1  35 ILE HG12 1  91 LEU MD2  . .  6.800 2.068 2.068 2.068     . 0 0 "[ ]" 1 
        525 1  35 ILE HG13 1  35 ILE MG   . .  3.400 3.266 3.266 3.266     . 0 0 "[ ]" 1 
        526 1  35 ILE HG13 1  37 VAL H    . .  6.000 3.730 3.730 3.730     . 0 0 "[ ]" 1 
        527 1  35 ILE MG   1  36 ARG H    . .  5.500 3.888 3.888 3.888     . 0 0 "[ ]" 1 
        528 1  35 ILE MG   1  91 LEU H    . .  7.000 4.704 4.704 4.704     . 0 0 "[ ]" 1 
        529 1  36 ARG H    1  36 ARG HB2  . .  3.900 2.936 2.936 2.936     . 0 0 "[ ]" 1 
        530 1  36 ARG H    1  36 ARG HB3  . .  3.700 3.839 3.839 3.839 0.139 1 0 "[ ]" 1 
        531 1  36 ARG H    1  36 ARG HG3  . .  3.600 2.533 2.533 2.533     . 0 0 "[ ]" 1 
        532 1  36 ARG H    1  37 VAL H    . .  6.000 4.303 4.303 4.303     . 0 0 "[ ]" 1 
        533 1  36 ARG HA   1  36 ARG HG2  . .  4.500 2.852 2.852 2.852     . 0 0 "[ ]" 1 
        534 1  36 ARG HA   1  36 ARG HG3  . .  4.000 3.532 3.532 3.532     . 0 0 "[ ]" 1 
        535 1  36 ARG HA   1  37 VAL H    . .  3.000 2.212 2.212 2.212     . 0 0 "[ ]" 1 
        536 1  36 ARG HA   1  88 GLN HA   . .  3.200 2.133 2.133 2.133     . 0 0 "[ ]" 1 
        537 1  36 ARG HA   1  88 GLN HB3  . .  6.000 4.578 4.578 4.578     . 0 0 "[ ]" 1 
        538 1  36 ARG HA   1  88 GLN HG2  . .  6.000 4.897 4.897 4.897     . 0 0 "[ ]" 1 
        539 1  36 ARG HA   1  89 GLY H    . .  3.800 3.653 3.653 3.653     . 0 0 "[ ]" 1 
        540 1  36 ARG HB2  1  37 VAL H    . .  4.200 4.054 4.054 4.054     . 0 0 "[ ]" 1 
        541 1  36 ARG HB2  1  86 VAL HA   . .  6.000 5.517 5.517 5.517     . 0 0 "[ ]" 1 
        542 1  36 ARG HB2  1  86 VAL MG1  . .  7.000 4.738 4.738 4.738     . 0 0 "[ ]" 1 
        543 1  36 ARG HB2  1  86 VAL MG2  . .  7.000 5.153 5.153 5.153     . 0 0 "[ ]" 1 
        544 1  36 ARG HB2  1  88 GLN HA   . .  6.000 4.615 4.615 4.615     . 0 0 "[ ]" 1 
        545 1  36 ARG HB3  1  37 VAL H    . .  4.000 3.499 3.499 3.499     . 0 0 "[ ]" 1 
        546 1  36 ARG HB3  1  86 VAL HA   . .  6.000 4.951 4.951 4.951     . 0 0 "[ ]" 1 
        547 1  36 ARG HB3  1  89 GLY H    . .  6.000 5.196 5.196 5.196     . 0 0 "[ ]" 1 
        548 1  36 ARG QD   1  37 VAL H    . .  7.000 5.421 5.421 5.421     . 0 0 "[ ]" 1 
        549 1  36 ARG QD   1  86 VAL MG2  . .  7.800 4.138 4.138 4.138     . 0 0 "[ ]" 1 
        550 1  36 ARG QD   1 103 LEU MD1  . .  8.000 5.762 5.762 5.762     . 0 0 "[ ]" 1 
        551 1  36 ARG QD   1 103 LEU MD2  . .  8.000 3.566 3.566 3.566     . 0 0 "[ ]" 1 
        552 1  36 ARG HG2  1  37 VAL H    . .  6.000 4.997 4.997 4.997     . 0 0 "[ ]" 1 
        553 1  36 ARG HG2  1  88 GLN HA   . .  6.000 3.222 3.222 3.222     . 0 0 "[ ]" 1 
        554 1  36 ARG HG2  1  88 GLN HB2  . .  6.000 2.316 2.316 2.316     . 0 0 "[ ]" 1 
        555 1  36 ARG HG2  1  88 GLN HB3  . .  6.000 3.884 3.884 3.884     . 0 0 "[ ]" 1 
        556 1  36 ARG HG2  1  88 GLN HG2  . .  6.000 3.869 3.869 3.869     . 0 0 "[ ]" 1 
        557 1  36 ARG HG2  1  88 GLN HG3  . .  6.000 2.271 2.271 2.271     . 0 0 "[ ]" 1 
        558 1  36 ARG HG3  1  37 VAL H    . .  6.000 5.426 5.426 5.426     . 0 0 "[ ]" 1 
        559 1  36 ARG HG3  1  88 GLN HA   . .  6.000 4.676 4.676 4.676     . 0 0 "[ ]" 1 
        560 1  36 ARG HG3  1  88 GLN HB2  . .  6.000 3.864 3.864 3.864     . 0 0 "[ ]" 1 
        561 1  36 ARG HG3  1  88 GLN HG2  . .  6.000 5.585 5.585 5.585     . 0 0 "[ ]" 1 
        562 1  36 ARG HG3  1  88 GLN HG3  . .  6.000 3.910 3.910 3.910     . 0 0 "[ ]" 1 
        563 1  36 ARG HG3  1  89 GLY H    . .  6.000 5.716 5.716 5.716     . 0 0 "[ ]" 1 
        564 1  37 VAL H    1  37 VAL HB   . .  4.300 2.914 2.914 2.914     . 0 0 "[ ]" 1 
        565 1  37 VAL H    1  37 VAL MG1  . .  4.400 2.118 2.118 2.118     . 0 0 "[ ]" 1 
        566 1  37 VAL H    1  38 GLY H    . .  6.000 4.575 4.575 4.575     . 0 0 "[ ]" 1 
        567 1  37 VAL H    1  86 VAL HA   . .  6.000 5.086 5.086 5.086     . 0 0 "[ ]" 1 
        568 1  37 VAL H    1  86 VAL MG1  . .  7.000 5.811 5.811 5.811     . 0 0 "[ ]" 1 
        569 1  37 VAL H    1  87 ALA H    . .  3.300 3.291 3.291 3.291     . 0 0 "[ ]" 1 
        570 1  37 VAL H    1  87 ALA MB   . .  6.500 3.372 3.372 3.372     . 0 0 "[ ]" 1 
        571 1  37 VAL H    1  88 GLN HA   . .  3.500 3.483 3.483 3.483     . 0 0 "[ ]" 1 
        572 1  37 VAL HA   1  38 GLY H    . .  3.500 2.292 2.292 2.292     . 0 0 "[ ]" 1 
        573 1  37 VAL HB   1  38 GLY H    . .  4.900 4.152 4.152 4.152     . 0 0 "[ ]" 1 
        574 1  37 VAL MG1  1  38 GLY H    . .  5.400 3.874 3.874 3.874     . 0 0 "[ ]" 1 
        575 1  37 VAL MG1  1  69 VAL MG2  . .  5.500 2.226 2.226 2.226     . 0 0 "[ ]" 1 
        576 1  37 VAL MG1  1  79 PHE CG   . .  9.000 8.706 8.706 8.706     . 0 0 "[ ]" 1 
        577 1  37 VAL MG1  1  87 ALA MB   . .  5.500 1.982 1.982 1.982     . 0 0 "[ ]" 1 
        578 1  37 VAL MG2  1  38 GLY H    . .  5.600 2.428 2.428 2.428     . 0 0 "[ ]" 1 
        579 1  37 VAL MG2  1  39 GLY H    . .  6.800 4.025 4.025 4.025     . 0 0 "[ ]" 1 
        580 1  37 VAL MG2  1  87 ALA H    . .  7.000 4.536 4.536 4.536     . 0 0 "[ ]" 1 
        581 1  38 GLY H    1  39 GLY H    . .  5.400 4.246 4.246 4.246     . 0 0 "[ ]" 1 
        582 1  38 GLY HA2  1  39 GLY H    . .  3.500 2.196 2.196 2.196     . 0 0 "[ ]" 1 
        583 1  38 GLY HA2  1  86 VAL HA   . .  3.400 2.200 2.200 2.200     . 0 0 "[ ]" 1 
        584 1  38 GLY HA2  1  86 VAL MG1  . .  7.000 2.407 2.407 2.407     . 0 0 "[ ]" 1 
        585 1  38 GLY HA2  1  87 ALA H    . .  3.300 3.405 3.405 3.405 0.105 1 0 "[ ]" 1 
        586 1  38 GLY HA3  1  39 GLY H    . .  4.100 3.317 3.317 3.317     . 0 0 "[ ]" 1 
        587 1  38 GLY HA3  1  86 VAL HA   . .  4.200 3.445 3.445 3.445     . 0 0 "[ ]" 1 
        588 1  38 GLY HA3  1  86 VAL MG1  . .  7.000 2.277 2.277 2.277     . 0 0 "[ ]" 1 
        589 1  38 GLY HA3  1  87 ALA H    . .  4.500 4.561 4.561 4.561 0.061 1 0 "[ ]" 1 
        590 1  39 GLY H    1  40 MET H    . .  6.000 4.328 4.328 4.328     . 0 0 "[ ]" 1 
        591 1  39 GLY H    1  59 VAL MG2  . .  7.000 4.303 4.303 4.303     . 0 0 "[ ]" 1 
        592 1  39 GLY H    1  84 GLY HA2  . .  6.000 4.545 4.545 4.545     . 0 0 "[ ]" 1 
        593 1  39 GLY H    1  85 ILE H    . .  3.500 3.045 3.045 3.045     . 0 0 "[ ]" 1 
        594 1  39 GLY H    1  86 VAL HA   . .  3.600 3.610 3.610 3.610 0.010 1 0 "[ ]" 1 
        595 1  39 GLY HA2  1  40 MET H    . .  3.600 2.709 2.709 2.709     . 0 0 "[ ]" 1 
        596 1  39 GLY HA3  1  40 MET H    . .  3.400 2.439 2.439 2.439     . 0 0 "[ ]" 1 
        597 1  39 GLY HA3  1  59 VAL MG2  . .  5.800 4.270 4.270 4.270     . 0 0 "[ ]" 1 
        598 1  40 MET H    1  40 MET HB2  . .  4.000 3.770 3.770 3.770     . 0 0 "[ ]" 1 
        599 1  40 MET H    1  40 MET HB3  . .  4.000 3.016 3.016 3.016     . 0 0 "[ ]" 1 
        600 1  40 MET H    1  40 MET ME   . .  4.800 3.571 3.571 3.571     . 0 0 "[ ]" 1 
        601 1  40 MET H    1  40 MET HG2  . .  4.900 2.082 2.082 2.082     . 0 0 "[ ]" 1 
        602 1  40 MET H    1  40 MET HG3  . .  4.600 3.197 3.197 3.197     . 0 0 "[ ]" 1 
        603 1  40 MET H    1  41 VAL H    . .  5.200 4.438 4.438 4.438     . 0 0 "[ ]" 1 
        604 1  40 MET H    1  59 VAL MG1  . .  7.000 2.912 2.912 2.912     . 0 0 "[ ]" 1 
        605 1  40 MET H    1  59 VAL MG2  . .  6.700 4.273 4.273 4.273     . 0 0 "[ ]" 1 
        606 1  40 MET H    1  60 HIS H    . .  3.700 3.215 3.215 3.215     . 0 0 "[ ]" 1 
        607 1  40 MET H    1  60 HIS HB2  . .  6.000 5.757 5.757 5.757     . 0 0 "[ ]" 1 
        608 1  40 MET H    1  61 ASP HA   . .  5.600 3.319 3.319 3.319     . 0 0 "[ ]" 1 
        609 1  40 MET HA   1  40 MET ME   . .  5.800 4.154 4.154 4.154     . 0 0 "[ ]" 1 
        610 1  40 MET HA   1  41 VAL H    . .  3.200 2.051 2.051 2.051     . 0 0 "[ ]" 1 
        611 1  40 MET HA   1  41 VAL MG2  . .  7.000 3.390 3.390 3.390     . 0 0 "[ ]" 1 
        612 1  40 MET HA   1  84 GLY HA2  . .  2.900 2.022 2.022 2.022     . 0 0 "[ ]" 1 
        613 1  40 MET HA   1  84 GLY HA3  . .  3.500 3.434 3.434 3.434     . 0 0 "[ ]" 1 
        614 1  40 MET HA   1  85 ILE H    . .  3.500 3.512 3.512 3.512 0.012 1 0 "[ ]" 1 
        615 1  40 MET HB2  1  40 MET ME   . .  5.000 3.176 3.176 3.176     . 0 0 "[ ]" 1 
        616 1  40 MET HB2  1  41 VAL H    . .  4.700 3.072 3.072 3.072     . 0 0 "[ ]" 1 
        617 1  40 MET HB3  1  40 MET ME   . .  4.000 2.125 2.125 2.125     . 0 0 "[ ]" 1 
        618 1  40 MET HB3  1  41 VAL H    . .  4.800 3.997 3.997 3.997     . 0 0 "[ ]" 1 
        619 1  40 MET HB3  1  84 GLY HA2  . .  6.000 3.631 3.631 3.631     . 0 0 "[ ]" 1 
        620 1  40 MET ME   1  41 VAL H    . .  6.600 5.536 5.536 5.536     . 0 0 "[ ]" 1 
        621 1  40 MET HG2  1  41 VAL H    . .  6.000 4.994 4.994 4.994     . 0 0 "[ ]" 1 
        622 1  40 MET HG3  1  41 VAL H    . .  6.000 4.348 4.348 4.348     . 0 0 "[ ]" 1 
        623 1  41 VAL H    1  41 VAL HB   . .  3.800 2.407 2.407 2.407     . 0 0 "[ ]" 1 
        624 1  41 VAL H    1  41 VAL MG2  . .  3.700 2.150 2.150 2.150     . 0 0 "[ ]" 1 
        625 1  41 VAL H    1  42 THR H    . .  6.000 4.549 4.549 4.549     . 0 0 "[ ]" 1 
        626 1  41 VAL H    1  82 GLY H    . .  5.500 4.690 4.690 4.690     . 0 0 "[ ]" 1 
        627 1  41 VAL H    1  83 GLN H    . .  3.400 3.172 3.172 3.172     . 0 0 "[ ]" 1 
        628 1  41 VAL H    1  84 GLY HA2  . .  3.400 2.907 2.907 2.907     . 0 0 "[ ]" 1 
        629 1  41 VAL H    1  84 GLY HA3  . .  4.500 4.565 4.565 4.565 0.065 1 0 "[ ]" 1 
        630 1  41 VAL H    1  85 ILE H    . .  6.000 4.208 4.208 4.208     . 0 0 "[ ]" 1 
        631 1  41 VAL H    1  85 ILE MD   . .  7.000 5.891 5.891 5.891     . 0 0 "[ ]" 1 
        632 1  41 VAL HA   1  41 VAL MG2  . .  3.700 2.368 2.368 2.368     . 0 0 "[ ]" 1 
        633 1  41 VAL HA   1  42 THR H    . .  3.200 2.224 2.224 2.224     . 0 0 "[ ]" 1 
        634 1  41 VAL HA   1  59 VAL HA   . .  3.700 2.680 2.680 2.680     . 0 0 "[ ]" 1 
        635 1  41 VAL HA   1  59 VAL MG1  . .  5.700 4.005 4.005 4.005     . 0 0 "[ ]" 1 
        636 1  41 VAL HA   1  59 VAL MG2  . .  5.700 2.288 2.288 2.288     . 0 0 "[ ]" 1 
        637 1  41 VAL HA   1  60 HIS H    . .  6.000 3.825 3.825 3.825     . 0 0 "[ ]" 1 
        638 1  41 VAL HB   1  42 THR H    . .  6.000 4.439 4.439 4.439     . 0 0 "[ ]" 1 
        639 1  41 VAL HB   1  59 VAL MG1  . .  6.600 6.031 6.031 6.031     . 0 0 "[ ]" 1 
        640 1  41 VAL HB   1  83 GLN H    . .  5.500 2.141 2.141 2.141     . 0 0 "[ ]" 1 
        641 1  41 VAL MG1  1  42 THR H    . .  5.200 3.005 3.005 3.005     . 0 0 "[ ]" 1 
        642 1  41 VAL MG1  1  45 SER HG   . .  7.000 5.990 5.990 5.990     . 0 0 "[ ]" 1 
        643 1  41 VAL MG1  1  57 PHE CG   . .  9.000 4.690 4.690 4.690     . 0 0 "[ ]" 1 
        644 1  41 VAL MG1  1  57 PHE CZ   . .  9.000 5.832 5.832 5.832     . 0 0 "[ ]" 1 
        645 1  41 VAL MG1  1  57 PHE HZ   . .  7.000 6.441 6.441 6.441     . 0 0 "[ ]" 1 
        646 1  41 VAL MG1  1  59 VAL HA   . .  7.000 4.281 4.281 4.281     . 0 0 "[ ]" 1 
        647 1  41 VAL MG1  1  59 VAL MG2  . .  7.300 3.222 3.222 3.222     . 0 0 "[ ]" 1 
        648 1  41 VAL MG1  1  79 PHE CZ   . .  9.000 2.561 2.561 2.561     . 0 0 "[ ]" 1 
        649 1  41 VAL MG1  1  81 GLU HA   . .  4.800 2.115 2.115 2.115     . 0 0 "[ ]" 1 
        650 1  41 VAL MG1  1  82 GLY H    . .  7.000 2.255 2.255 2.255     . 0 0 "[ ]" 1 
        651 1  41 VAL MG1  1  83 GLN H    . .  7.000 3.604 3.604 3.604     . 0 0 "[ ]" 1 
        652 1  41 VAL MG1  1  85 ILE MD   . .  5.800 4.842 4.842 4.842     . 0 0 "[ ]" 1 
        653 1  41 VAL MG1  1  85 ILE HG12 . .  5.000 4.268 4.268 4.268     . 0 0 "[ ]" 1 
        654 1  41 VAL MG2  1  42 THR H    . .  5.800 4.183 4.183 4.183     . 0 0 "[ ]" 1 
        655 1  41 VAL MG2  1  57 PHE CG   . .  9.000 4.927 4.927 4.927     . 0 0 "[ ]" 1 
        656 1  41 VAL MG2  1  57 PHE CZ   . .  9.000 5.004 5.004 5.004     . 0 0 "[ ]" 1 
        657 1  41 VAL MG2  1  59 VAL MG1  . .  8.000 3.930 3.930 3.930     . 0 0 "[ ]" 1 
        658 1  41 VAL MG2  1  79 PHE CZ   . .  9.000 2.599 2.599 2.599     . 0 0 "[ ]" 1 
        659 1  41 VAL MG2  1  79 PHE HZ   . .  7.000 2.311 2.311 2.311     . 0 0 "[ ]" 1 
        660 1  41 VAL MG2  1  81 GLU HA   . .  6.600 3.484 3.484 3.484     . 0 0 "[ ]" 1 
        661 1  41 VAL MG2  1  82 GLY H    . .  7.000 4.054 4.054 4.054     . 0 0 "[ ]" 1 
        662 1  41 VAL MG2  1  83 GLN H    . .  6.900 3.323 3.323 3.323     . 0 0 "[ ]" 1 
        663 1  41 VAL MG2  1  85 ILE MG   . .  5.200 2.463 2.463 2.463     . 0 0 "[ ]" 1 
        664 1  42 THR H    1  42 THR HB   . .  3.900 2.503 2.503 2.503     . 0 0 "[ ]" 1 
        665 1  42 THR H    1  42 THR MG   . .  4.800 3.723 3.723 3.723     . 0 0 "[ ]" 1 
        666 1  42 THR H    1  43 VAL H    . .  4.400 4.436 4.436 4.436 0.036 1 0 "[ ]" 1 
        667 1  42 THR H    1  43 VAL HA   . .  6.000 5.485 5.485 5.485     . 0 0 "[ ]" 1 
        668 1  42 THR H    1  45 SER HB3  . .  6.000 5.381 5.381 5.381     . 0 0 "[ ]" 1 
        669 1  42 THR H    1  45 SER HG   . .  6.000 5.840 5.840 5.840     . 0 0 "[ ]" 1 
        670 1  42 THR H    1  58 ALA H    . .  6.000 4.708 4.708 4.708     . 0 0 "[ ]" 1 
        671 1  42 THR H    1  59 VAL H    . .  6.000 5.072 5.072 5.072     . 0 0 "[ ]" 1 
        672 1  42 THR H    1  59 VAL HA   . .  4.000 2.889 2.889 2.889     . 0 0 "[ ]" 1 
        673 1  42 THR H    1  59 VAL MG1  . .  7.000 4.978 4.978 4.978     . 0 0 "[ ]" 1 
        674 1  42 THR HA   1  43 VAL H    . .  3.600 2.121 2.121 2.121     . 0 0 "[ ]" 1 
        675 1  42 THR HA   1  43 VAL MG1  . .  6.400 3.871 3.871 3.871     . 0 0 "[ ]" 1 
        676 1  42 THR HA   1  43 VAL MG2  . .  6.600 5.466 5.466 5.466     . 0 0 "[ ]" 1 
        677 1  42 THR HA   1  44 GLY H    . .  5.400 4.273 4.273 4.273     . 0 0 "[ ]" 1 
        678 1  42 THR HB   1  43 VAL H    . .  5.000 4.286 4.286 4.286     . 0 0 "[ ]" 1 
        679 1  42 THR HB   1  45 SER H    . .  5.500 3.999 3.999 3.999     . 0 0 "[ ]" 1 
        680 1  42 THR HB   1  45 SER HB2  . .  5.600 2.301 2.301 2.301     . 0 0 "[ ]" 1 
        681 1  42 THR HB   1  45 SER HB3  . .  6.000 3.467 3.467 3.467     . 0 0 "[ ]" 1 
        682 1  42 THR HB   1  45 SER HG   . .  5.200 3.402 3.402 3.402     . 0 0 "[ ]" 1 
        683 1  42 THR HB   1  58 ALA H    . .  6.000 4.039 4.039 4.039     . 0 0 "[ ]" 1 
        684 1  42 THR HB   1  58 ALA MB   . .  6.700 2.708 2.708 2.708     . 0 0 "[ ]" 1 
        685 1  42 THR MG   1  43 VAL H    . .  5.600 3.000 3.000 3.000     . 0 0 "[ ]" 1 
        686 1  42 THR MG   1  43 VAL HB   . .  5.900 4.764 4.764 4.764     . 0 0 "[ ]" 1 
        687 1  42 THR MG   1  43 VAL MG1  . .  6.400 3.173 3.173 3.173     . 0 0 "[ ]" 1 
        688 1  42 THR MG   1  44 GLY H    . .  6.500 2.492 2.492 2.492     . 0 0 "[ ]" 1 
        689 1  42 THR MG   1  45 SER H    . .  7.000 3.826 3.826 3.826     . 0 0 "[ ]" 1 
        690 1  42 THR MG   1  45 SER HA   . .  5.300 4.436 4.436 4.436     . 0 0 "[ ]" 1 
        691 1  42 THR MG   1  45 SER HB2  . .  4.600 3.445 3.445 3.445     . 0 0 "[ ]" 1 
        692 1  42 THR MG   1  45 SER HB3  . .  5.100 3.981 3.981 3.981     . 0 0 "[ ]" 1 
        693 1  42 THR MG   1  45 SER HG   . .  4.800 2.721 2.721 2.721     . 0 0 "[ ]" 1 
        694 1  43 VAL H    1  43 VAL HB   . .  3.900 2.384 2.384 2.384     . 0 0 "[ ]" 1 
        695 1  43 VAL H    1  43 VAL MG1  . .  3.400 2.320 2.320 2.320     . 0 0 "[ ]" 1 
        696 1  43 VAL H    1  43 VAL MG2  . .  4.800 3.753 3.753 3.753     . 0 0 "[ ]" 1 
        697 1  43 VAL H    1  44 GLY H    . .  3.200 3.123 3.123 3.123     . 0 0 "[ ]" 1 
        698 1  43 VAL H    1  45 SER H    . .  5.600 5.078 5.078 5.078     . 0 0 "[ ]" 1 
        699 1  43 VAL H    1  45 SER HB2  . .  6.000 5.725 5.725 5.725     . 0 0 "[ ]" 1 
        700 1  43 VAL H    1  45 SER HG   . .  6.000 6.011 6.011 6.011 0.011 1 0 "[ ]" 1 
        701 1  43 VAL H    1  81 GLU HB2  . .  6.000 5.914 5.914 5.914     . 0 0 "[ ]" 1 
        702 1  43 VAL H    1  81 GLU HB3  . .  6.000 4.763 4.763 4.763     . 0 0 "[ ]" 1 
        703 1  43 VAL HA   1  44 GLY H    . .  3.700 3.566 3.566 3.566     . 0 0 "[ ]" 1 
        704 1  43 VAL HA   1  45 SER H    . .  4.700 4.409 4.409 4.409     . 0 0 "[ ]" 1 
        705 1  43 VAL HA   1  81 GLU HA   . .  4.700 4.266 4.266 4.266     . 0 0 "[ ]" 1 
        706 1  43 VAL HA   1  81 GLU HB2  . .  6.000 3.244 3.244 3.244     . 0 0 "[ ]" 1 
        707 1  43 VAL HA   1  81 GLU HB3  . .  5.800 2.340 2.340 2.340     . 0 0 "[ ]" 1 
        708 1  43 VAL HA   1  82 GLY H    . .  6.000 2.557 2.557 2.557     . 0 0 "[ ]" 1 
        709 1  43 VAL HA   1  82 GLY HA3  . .  4.000 3.554 3.554 3.554     . 0 0 "[ ]" 1 
        710 1  43 VAL HB   1  44 GLY H    . .  4.500 4.014 4.014 4.014     . 0 0 "[ ]" 1 
        711 1  43 VAL HB   1  82 GLY H    . .  6.000 4.160 4.160 4.160     . 0 0 "[ ]" 1 
        712 1  43 VAL MG1  1  44 GLY H    . .  5.000 2.225 2.225 2.225     . 0 0 "[ ]" 1 
        713 1  43 VAL MG1  1  82 GLY H    . .  6.300 5.206 5.206 5.206     . 0 0 "[ ]" 1 
        714 1  43 VAL MG1  1  82 GLY HA2  . .  7.000 4.836 4.836 4.836     . 0 0 "[ ]" 1 
        715 1  43 VAL MG1  1  82 GLY HA3  . .  7.000 4.996 4.996 4.996     . 0 0 "[ ]" 1 
        716 1  43 VAL MG2  1  44 GLY H    . .  4.700 3.648 3.648 3.648     . 0 0 "[ ]" 1 
        717 1  43 VAL MG2  1  45 SER H    . .  6.700 5.091 5.091 5.091     . 0 0 "[ ]" 1 
        718 1  43 VAL MG2  1  82 GLY HA2  . .  7.000 3.830 3.830 3.830     . 0 0 "[ ]" 1 
        719 1  44 GLY H    1  45 SER H    . .  3.700 3.228 3.228 3.228     . 0 0 "[ ]" 1 
        720 1  44 GLY H    1  45 SER HB2  . .  5.800 4.771 4.771 4.771     . 0 0 "[ ]" 1 
        721 1  44 GLY H    1  45 SER HG   . .  6.000 3.947 3.947 3.947     . 0 0 "[ ]" 1 
        722 1  44 GLY H    1  46 MET H    . .  6.000 5.138 5.138 5.138     . 0 0 "[ ]" 1 
        723 1  44 GLY HA2  1  45 SER H    . .  4.100 2.701 2.701 2.701     . 0 0 "[ ]" 1 
        724 1  44 GLY HA2  1  46 MET H    . .  6.000 3.624 3.624 3.624     . 0 0 "[ ]" 1 
        725 1  44 GLY HA3  1  45 SER H    . .  4.500 3.618 3.618 3.618     . 0 0 "[ ]" 1 
        726 1  44 GLY HA3  1  46 MET H    . .  6.000 4.994 4.994 4.994     . 0 0 "[ ]" 1 
        727 1  45 SER H    1  45 SER HB3  . .  4.000 3.885 3.885 3.885     . 0 0 "[ ]" 1 
        728 1  45 SER H    1  45 SER HG   . .  3.700 3.340 3.340 3.340     . 0 0 "[ ]" 1 
        729 1  45 SER H    1  46 MET H    . .  3.400 1.994 1.994 1.994     . 0 0 "[ ]" 1 
        730 1  45 SER H    1  46 MET HB2  . .  5.800 4.204 4.204 4.204     . 0 0 "[ ]" 1 
        731 1  45 SER H    1  58 ALA H    . .  5.800 4.904 4.904 4.904     . 0 0 "[ ]" 1 
        732 1  45 SER H    1  58 ALA MB   . .  7.000 5.039 5.039 5.039     . 0 0 "[ ]" 1 
        733 1  45 SER HA   1  45 SER HB2  . .  3.100 3.029 3.029 3.029     . 0 0 "[ ]" 1 
        734 1  45 SER HA   1  46 MET H    . .  4.100 3.348 3.348 3.348     . 0 0 "[ ]" 1 
        735 1  45 SER HA   1  58 ALA H    . .  5.700 4.498 4.498 4.498     . 0 0 "[ ]" 1 
        736 1  45 SER HA   1  58 ALA MB   . .  7.000 4.240 4.240 4.240     . 0 0 "[ ]" 1 
        737 1  45 SER HB2  1  46 MET H    . .  5.300 3.634 3.634 3.634     . 0 0 "[ ]" 1 
        738 1  45 SER HB2  1  58 ALA H    . .  6.000 2.496 2.496 2.496     . 0 0 "[ ]" 1 
        739 1  45 SER HB2  1  58 ALA MB   . .  7.000 2.605 2.605 2.605     . 0 0 "[ ]" 1 
        740 1  45 SER HB2  1  68 LEU MD2  . .  6.600 6.074 6.074 6.074     . 0 0 "[ ]" 1 
        741 1  45 SER HB3  1  46 MET H    . .  6.000 4.383 4.383 4.383     . 0 0 "[ ]" 1 
        742 1  45 SER HB3  1  58 ALA H    . .  6.000 2.575 2.575 2.575     . 0 0 "[ ]" 1 
        743 1  45 SER HB3  1  58 ALA MB   . .  7.000 2.253 2.253 2.253     . 0 0 "[ ]" 1 
        744 1  45 SER HG   1  46 MET H    . .  6.000 4.678 4.678 4.678     . 0 0 "[ ]" 1 
        745 1  45 SER HG   1  57 PHE HA   . .  6.000 6.048 6.048 6.048 0.048 1 0 "[ ]" 1 
        746 1  45 SER HG   1  58 ALA H    . .  5.600 4.859 4.859 4.859     . 0 0 "[ ]" 1 
        747 1  46 MET H    1  46 MET HB2  . .  3.900 2.649 2.649 2.649     . 0 0 "[ ]" 1 
        748 1  46 MET H    1  46 MET HB3  . .  4.100 2.170 2.170 2.170     . 0 0 "[ ]" 1 
        749 1  46 MET H    1  46 MET ME   . .  5.600 4.460 4.460 4.460     . 0 0 "[ ]" 1 
        750 1  46 MET H    1  46 MET HG2  . .  4.900 4.370 4.370 4.370     . 0 0 "[ ]" 1 
        751 1  46 MET H    1  46 MET HG3  . .  4.800 4.234 4.234 4.234     . 0 0 "[ ]" 1 
        752 1  46 MET H    1  47 VAL H    . .  4.800 4.440 4.440 4.440     . 0 0 "[ ]" 1 
        753 1  46 MET H    1  47 VAL MG2  . .  7.000 5.394 5.394 5.394     . 0 0 "[ ]" 1 
        754 1  46 MET HA   1  46 MET ME   . .  5.000 2.092 2.092 2.092     . 0 0 "[ ]" 1 
        755 1  46 MET HA   1  46 MET HG2  . .  4.300 3.979 3.979 3.979     . 0 0 "[ ]" 1 
        756 1  46 MET HA   1  46 MET HG3  . .  4.200 3.412 3.412 3.412     . 0 0 "[ ]" 1 
        757 1  46 MET HA   1  47 VAL H    . .  3.000 2.297 2.297 2.297     . 0 0 "[ ]" 1 
        758 1  46 MET HA   1  47 VAL MG2  . .  6.500 4.077 4.077 4.077     . 0 0 "[ ]" 1 
        759 1  46 MET HA   1  57 PHE HA   . .  3.300 2.838 2.838 2.838     . 0 0 "[ ]" 1 
        760 1  46 MET HA   1  57 PHE HB2  . .  5.900 3.072 3.072 3.072     . 0 0 "[ ]" 1 
        761 1  46 MET HA   1  57 PHE HB3  . .  4.900 2.382 2.382 2.382     . 0 0 "[ ]" 1 
        762 1  46 MET HA   1  58 ALA H    . .  5.000 4.224 4.224 4.224     . 0 0 "[ ]" 1 
        763 1  46 MET HB2  1  46 MET ME   . .  4.400 3.354 3.354 3.354     . 0 0 "[ ]" 1 
        764 1  46 MET HB2  1  47 VAL H    . .  5.100 4.524 4.524 4.524     . 0 0 "[ ]" 1 
        765 1  46 MET HB2  1  57 PHE HB3  . .  6.000 3.629 3.629 3.629     . 0 0 "[ ]" 1 
        766 1  46 MET HB3  1  46 MET ME   . .  4.400 3.728 3.728 3.728     . 0 0 "[ ]" 1 
        767 1  46 MET HB3  1  46 MET HG2  . .  3.000 2.294 2.294 2.294     . 0 0 "[ ]" 1 
        768 1  46 MET HB3  1  47 VAL H    . .  5.500 4.532 4.532 4.532     . 0 0 "[ ]" 1 
        769 1  46 MET HB3  1  57 PHE HB2  . .  6.000 5.241 5.241 5.241     . 0 0 "[ ]" 1 
        770 1  46 MET ME   1  47 VAL H    . .  7.000 2.160 2.160 2.160     . 0 0 "[ ]" 1 
        771 1  46 MET ME   1  55 VAL HB   . .  4.900 2.224 2.224 2.224     . 0 0 "[ ]" 1 
        772 1  46 MET ME   1  57 PHE HA   . .  7.000 3.710 3.710 3.710     . 0 0 "[ ]" 1 
        773 1  46 MET ME   1  57 PHE HB3  . .  6.900 2.549 2.549 2.549     . 0 0 "[ ]" 1 
        774 1  46 MET ME   1  75 LEU MD1  . .  7.100 2.443 2.443 2.443     . 0 0 "[ ]" 1 
        775 1  46 MET ME   1  75 LEU MD2  . .  7.500 4.345 4.345 4.345     . 0 0 "[ ]" 1 
        776 1  46 MET ME   1  79 PHE CZ   . .  9.000 5.211 5.211 5.211     . 0 0 "[ ]" 1 
        777 1  46 MET HG2  1  47 VAL H    . .  6.000 5.300 5.300 5.300     . 0 0 "[ ]" 1 
        778 1  46 MET HG2  1  55 VAL MG1  . .  7.000 5.316 5.316 5.316     . 0 0 "[ ]" 1 
        779 1  46 MET HG2  1  55 VAL MG2  . .  7.000 7.124 7.124 7.124 0.124 1 0 "[ ]" 1 
        780 1  46 MET HG2  1  57 PHE HB2  . .  6.000 5.925 5.925 5.925     . 0 0 "[ ]" 1 
        781 1  46 MET HG2  1  57 PHE HB3  . .  6.000 5.218 5.218 5.218     . 0 0 "[ ]" 1 
        782 1  46 MET HG2  1  81 GLU HB3  . .  6.000 5.596 5.596 5.596     . 0 0 "[ ]" 1 
        783 1  46 MET HG2  1  81 GLU HG2  . .  5.700 3.600 3.600 3.600     . 0 0 "[ ]" 1 
        784 1  46 MET HG2  1  81 GLU HG3  . .  5.600 3.204 3.204 3.204     . 0 0 "[ ]" 1 
        785 1  46 MET HG3  1  47 VAL H    . .  6.000 4.009 4.009 4.009     . 0 0 "[ ]" 1 
        786 1  46 MET HG3  1  48 ARG H    . .  6.000 5.304 5.304 5.304     . 0 0 "[ ]" 1 
        787 1  46 MET HG3  1  55 VAL MG1  . .  7.000 4.494 4.494 4.494     . 0 0 "[ ]" 1 
        788 1  46 MET HG3  1  57 PHE HB2  . .  6.000 6.051 6.051 6.051 0.051 1 0 "[ ]" 1 
        789 1  46 MET HG3  1  57 PHE HB3  . .  6.000 5.058 5.058 5.058     . 0 0 "[ ]" 1 
        790 1  46 MET HG3  1  79 PHE CZ   . .  8.000 6.879 6.879 6.879     . 0 0 "[ ]" 1 
        791 1  47 VAL H    1  47 VAL MG1  . .  4.700 2.998 2.998 2.998     . 0 0 "[ ]" 1 
        792 1  47 VAL H    1  47 VAL MG2  . .  4.400 2.318 2.318 2.318     . 0 0 "[ ]" 1 
        793 1  47 VAL H    1  48 ARG H    . .  4.600 4.461 4.461 4.461     . 0 0 "[ ]" 1 
        794 1  47 VAL H    1  55 VAL MG1  . .  6.700 4.688 4.688 4.688     . 0 0 "[ ]" 1 
        795 1  47 VAL H    1  56 GLN H    . .  3.200 3.212 3.212 3.212 0.012 1 0 "[ ]" 1 
        796 1  47 VAL H    1  56 GLN HG2  . .  6.000 4.605 4.605 4.605     . 0 0 "[ ]" 1 
        797 1  47 VAL H    1  56 GLN HG3  . .  6.000 3.532 3.532 3.532     . 0 0 "[ ]" 1 
        798 1  47 VAL H    1  57 PHE HA   . .  3.500 3.326 3.326 3.326     . 0 0 "[ ]" 1 
        799 1  47 VAL H    1  57 PHE HB2  . .  6.000 4.769 4.769 4.769     . 0 0 "[ ]" 1 
        800 1  47 VAL H    1  57 PHE HB3  . .  6.000 3.657 3.657 3.657     . 0 0 "[ ]" 1 
        801 1  47 VAL HA   1  48 ARG H    . .  3.000 2.282 2.282 2.282     . 0 0 "[ ]" 1 
        802 1  47 VAL HB   1  48 ARG H    . .  5.200 2.741 2.741 2.741     . 0 0 "[ ]" 1 
        803 1  47 VAL HB   1  56 GLN H    . .  6.000 5.179 5.179 5.179     . 0 0 "[ ]" 1 
        804 1  47 VAL HB   1  56 GLN HE21 . .  6.000 4.534 4.534 4.534     . 0 0 "[ ]" 1 
        805 1  47 VAL HB   1  56 GLN HE22 . .  6.000 5.968 5.968 5.968     . 0 0 "[ ]" 1 
        806 1  47 VAL HB   1  56 GLN HG2  . .  6.000 5.075 5.075 5.075     . 0 0 "[ ]" 1 
        807 1  47 VAL MG1  1  48 ARG H    . .  5.600 3.845 3.845 3.845     . 0 0 "[ ]" 1 
        808 1  47 VAL MG1  1  56 GLN H    . .  6.500 5.253 5.253 5.253     . 0 0 "[ ]" 1 
        809 1  47 VAL MG1  1  56 GLN HE21 . .  7.000 4.129 4.129 4.129     . 0 0 "[ ]" 1 
        810 1  47 VAL MG1  1  56 GLN HE22 . .  6.800 5.426 5.426 5.426     . 0 0 "[ ]" 1 
        811 1  47 VAL MG1  1  56 GLN HG2  . .  7.000 5.407 5.407 5.407     . 0 0 "[ ]" 1 
        812 1  47 VAL MG1  1  57 PHE CG   . .  9.000 7.317 7.317 7.317     . 0 0 "[ ]" 1 
        813 1  47 VAL MG1  1  57 PHE HA   . .  7.000 4.578 4.578 4.578     . 0 0 "[ ]" 1 
        814 1  47 VAL MG2  1  48 ARG H    . .  7.000 3.671 3.671 3.671     . 0 0 "[ ]" 1 
        815 1  47 VAL MG2  1  56 GLN H    . .  7.000 3.200 3.200 3.200     . 0 0 "[ ]" 1 
        816 1  47 VAL MG2  1  56 GLN HB3  . .  5.500 4.439 4.439 4.439     . 0 0 "[ ]" 1 
        817 1  47 VAL MG2  1  56 GLN HE21 . .  7.000 2.062 2.062 2.062     . 0 0 "[ ]" 1 
        818 1  47 VAL MG2  1  56 GLN HE22 . .  6.700 3.366 3.366 3.366     . 0 0 "[ ]" 1 
        819 1  47 VAL MG2  1  56 GLN HG2  . .  7.000 2.672 2.672 2.672     . 0 0 "[ ]" 1 
        820 1  48 ARG H    1  48 ARG HB2  . .  4.100 3.847 3.847 3.847     . 0 0 "[ ]" 1 
        821 1  48 ARG H    1  48 ARG HB3  . .  3.800 3.165 3.165 3.165     . 0 0 "[ ]" 1 
        822 1  48 ARG H    1  48 ARG QD   . .  5.900 4.125 4.125 4.125     . 0 0 "[ ]" 1 
        823 1  48 ARG H    1  49 ASP H    . .  5.800 4.403 4.403 4.403     . 0 0 "[ ]" 1 
        824 1  48 ARG HA   1  49 ASP H    . .  3.100 2.263 2.263 2.263     . 0 0 "[ ]" 1 
        825 1  48 ARG HA   1  55 VAL HA   . .  3.100 2.144 2.144 2.144     . 0 0 "[ ]" 1 
        826 1  48 ARG HA   1  55 VAL HB   . .  6.000 4.304 4.304 4.304     . 0 0 "[ ]" 1 
        827 1  48 ARG HA   1  55 VAL MG2  . .  5.400 4.481 4.481 4.481     . 0 0 "[ ]" 1 
        828 1  48 ARG HA   1  56 GLN H    . .  3.300 3.354 3.354 3.354 0.054 1 0 "[ ]" 1 
        829 1  48 ARG HB2  1  49 ASP H    . .  4.100 3.003 3.003 3.003     . 0 0 "[ ]" 1 
        830 1  48 ARG HB2  1  55 VAL HA   . .  6.000 3.827 3.827 3.827     . 0 0 "[ ]" 1 
        831 1  48 ARG HB2  1  55 VAL HB   . .  4.800 4.943 4.943 4.943 0.143 1 0 "[ ]" 1 
        832 1  48 ARG HB2  1  55 VAL MG1  . .  5.700 2.247 2.247 2.247     . 0 0 "[ ]" 1 
        833 1  48 ARG HB2  1  55 VAL MG2  . .  5.600 4.493 4.493 4.493     . 0 0 "[ ]" 1 
        834 1  48 ARG HB3  1  49 ASP H    . .  4.300 4.146 4.146 4.146     . 0 0 "[ ]" 1 
        835 1  48 ARG HB3  1  55 VAL MG1  . .  5.700 2.066 2.066 2.066     . 0 0 "[ ]" 1 
        836 1  48 ARG HB3  1  55 VAL MG2  . .  5.900 4.783 4.783 4.783     . 0 0 "[ ]" 1 
        837 1  48 ARG QD   1  49 ASP H    . .  7.000 5.013 5.013 5.013     . 0 0 "[ ]" 1 
        838 1  48 ARG QD   1  55 VAL HB   . .  7.000 5.780 5.780 5.780     . 0 0 "[ ]" 1 
        839 1  48 ARG QD   1  55 VAL MG1  . .  8.000 3.328 3.328 3.328     . 0 0 "[ ]" 1 
        840 1  48 ARG QD   1  55 VAL MG2  . .  8.000 5.367 5.367 5.367     . 0 0 "[ ]" 1 
        841 1  48 ARG QG   1  49 ASP H    . .  7.000 3.923 3.923 3.923     . 0 0 "[ ]" 1 
        842 1  48 ARG QG   1  55 VAL HB   . .  7.000 6.260 6.260 6.260     . 0 0 "[ ]" 1 
        843 1  48 ARG QG   1  55 VAL MG2  . .  8.000 5.921 5.921 5.921     . 0 0 "[ ]" 1 
        844 1  49 ASP H    1  49 ASP HB2  . .  3.600 2.282 2.282 2.282     . 0 0 "[ ]" 1 
        845 1  49 ASP H    1  49 ASP HB3  . .  3.400 3.538 3.538 3.538 0.138 1 0 "[ ]" 1 
        846 1  49 ASP H    1  51 ASN H    . .  6.000 4.963 4.963 4.963     . 0 0 "[ ]" 1 
        847 1  49 ASP H    1  51 ASN HD21 . .  6.000 5.243 5.243 5.243     . 0 0 "[ ]" 1 
        848 1  49 ASP H    1  52 SER H    . .  6.000 4.105 4.105 4.105     . 0 0 "[ ]" 1 
        849 1  49 ASP H    1  53 LEU H    . .  6.000 4.515 4.515 4.515     . 0 0 "[ ]" 1 
        850 1  49 ASP H    1  54 HIS H    . .  3.700 3.468 3.468 3.468     . 0 0 "[ ]" 1 
        851 1  49 ASP H    1  55 VAL HA   . .  3.600 3.302 3.302 3.302     . 0 0 "[ ]" 1 
        852 1  49 ASP H    1  55 VAL HB   . .  6.000 5.648 5.648 5.648     . 0 0 "[ ]" 1 
        853 1  49 ASP H    1  55 VAL MG1  . .  6.400 3.258 3.258 3.258     . 0 0 "[ ]" 1 
        854 1  49 ASP H    1  55 VAL MG2  . .  6.700 4.690 4.690 4.690     . 0 0 "[ ]" 1 
        855 1  49 ASP HA   1  50 PRO HD2  . .  4.300 2.301 2.301 2.301     . 0 0 "[ ]" 1 
        856 1  49 ASP HA   1  50 PRO HD3  . .  4.600 2.556 2.556 2.556     . 0 0 "[ ]" 1 
        857 1  49 ASP HA   1  50 PRO HG3  . .  6.000 4.654 4.654 4.654     . 0 0 "[ ]" 1 
        858 1  49 ASP HA   1  51 ASN H    . .  5.700 3.730 3.730 3.730     . 0 0 "[ ]" 1 
        859 1  49 ASP HA   1  51 ASN HD21 . .  6.000 4.428 4.428 4.428     . 0 0 "[ ]" 1 
        860 1  49 ASP HB2  1  51 ASN H    . .  6.000 3.300 3.300 3.300     . 0 0 "[ ]" 1 
        861 1  49 ASP HB2  1  51 ASN HD21 . .  6.000 3.186 3.186 3.186     . 0 0 "[ ]" 1 
        862 1  49 ASP HB2  1  54 HIS H    . .  5.900 2.828 2.828 2.828     . 0 0 "[ ]" 1 
        863 1  49 ASP HB2  1  54 HIS HB2  . .  5.300 2.284 2.284 2.284     . 0 0 "[ ]" 1 
        864 1  49 ASP HB2  1  54 HIS HB3  . .  5.400 3.759 3.759 3.759     . 0 0 "[ ]" 1 
        865 1  49 ASP HB3  1  51 ASN HD21 . .  6.000 2.232 2.232 2.232     . 0 0 "[ ]" 1 
        866 1  49 ASP HB3  1  53 LEU H    . .  6.000 4.309 4.309 4.309     . 0 0 "[ ]" 1 
        867 1  49 ASP HB3  1  54 HIS H    . .  6.000 4.445 4.445 4.445     . 0 0 "[ ]" 1 
        868 1  49 ASP HB3  1  54 HIS HB2  . .  6.000 3.466 3.466 3.466     . 0 0 "[ ]" 1 
        869 1  49 ASP HB3  1  54 HIS HB3  . .  5.800 4.948 4.948 4.948     . 0 0 "[ ]" 1 
        870 1  49 ASP HB3  1  54 HIS HD2  . .  6.000 4.251 4.251 4.251     . 0 0 "[ ]" 1 
        871 1  50 PRO HA   1  50 PRO HG2  . .  4.000 3.848 3.848 3.848     . 0 0 "[ ]" 1 
        872 1  50 PRO HA   1  50 PRO HG3  . .  4.200 4.157 4.157 4.157     . 0 0 "[ ]" 1 
        873 1  50 PRO HA   1  51 ASN H    . .  3.900 3.469 3.469 3.469     . 0 0 "[ ]" 1 
        874 1  50 PRO HA   1  52 SER H    . .  5.700 3.328 3.328 3.328     . 0 0 "[ ]" 1 
        875 1  50 PRO HA   1  53 LEU MD2  . .  7.000 6.986 6.986 6.986     . 0 0 "[ ]" 1 
        876 1  50 PRO HB2  1  51 ASN H    . .  5.700 3.741 3.741 3.741     . 0 0 "[ ]" 1 
        877 1  50 PRO HB3  1  50 PRO HD3  . .  4.300 2.891 2.891 2.891     . 0 0 "[ ]" 1 
        878 1  50 PRO HB3  1  50 PRO HG2  . .  3.100 3.034 3.034 3.034     . 0 0 "[ ]" 1 
        879 1  50 PRO HB3  1  51 ASN H    . .  5.200 4.312 4.312 4.312     . 0 0 "[ ]" 1 
        880 1  50 PRO HD2  1  51 ASN H    . .  6.000 2.600 2.600 2.600     . 0 0 "[ ]" 1 
        881 1  50 PRO HD2  1  53 LEU MD2  . .  7.000 7.495 7.495 7.495 0.495 1 0 "[ ]" 1 
        882 1  50 PRO HD3  1  51 ASN H    . .  6.000 3.804 3.804 3.804     . 0 0 "[ ]" 1 
        883 1  50 PRO HG2  1  51 ASN H    . .  6.000 2.617 2.617 2.617     . 0 0 "[ ]" 1 
        884 1  50 PRO HG2  1  51 ASN HA   . .  6.000 4.361 4.361 4.361     . 0 0 "[ ]" 1 
        885 1  50 PRO HG2  1  51 ASN HD21 . .  6.000 4.785 4.785 4.785     . 0 0 "[ ]" 1 
        886 1  50 PRO HG3  1  51 ASN H    . .  6.000 4.088 4.088 4.088     . 0 0 "[ ]" 1 
        887 1  51 ASN H    1  51 ASN HB2  . .  3.700 2.588 2.588 2.588     . 0 0 "[ ]" 1 
        888 1  51 ASN H    1  51 ASN HB3  . .  4.100 3.595 3.595 3.595     . 0 0 "[ ]" 1 
        889 1  51 ASN H    1  51 ASN HD21 . .  6.000 3.205 3.205 3.205     . 0 0 "[ ]" 1 
        890 1  51 ASN H    1  51 ASN HD22 . .  5.800 3.760 3.760 3.760     . 0 0 "[ ]" 1 
        891 1  51 ASN H    1  52 SER H    . .  3.300 2.782 2.782 2.782     . 0 0 "[ ]" 1 
        892 1  51 ASN H    1  52 SER HA   . .  5.000 4.985 4.985 4.985     . 0 0 "[ ]" 1 
        893 1  51 ASN H    1  53 LEU H    . .  5.300 4.593 4.593 4.593     . 0 0 "[ ]" 1 
        894 1  51 ASN HA   1  51 ASN HD22 . .  5.400 4.652 4.652 4.652     . 0 0 "[ ]" 1 
        895 1  51 ASN HA   1  52 SER H    . .  4.200 3.558 3.558 3.558     . 0 0 "[ ]" 1 
        896 1  51 ASN HA   1  53 LEU MD1  . .  6.700 4.631 4.631 4.631     . 0 0 "[ ]" 1 
        897 1  51 ASN HB2  1  51 ASN HD22 . .  3.600 3.572 3.572 3.572     . 0 0 "[ ]" 1 
        898 1  51 ASN HB2  1  52 SER H    . .  4.400 2.960 2.960 2.960     . 0 0 "[ ]" 1 
        899 1  51 ASN HB2  1  53 LEU H    . .  6.000 2.956 2.956 2.956     . 0 0 "[ ]" 1 
        900 1  51 ASN HB2  1  54 HIS H    . .  5.500 3.749 3.749 3.749     . 0 0 "[ ]" 1 
        901 1  51 ASN HB2  1  54 HIS HB2  . .  6.000 3.254 3.254 3.254     . 0 0 "[ ]" 1 
        902 1  51 ASN HB2  1  54 HIS HB3  . .  5.800 4.993 4.993 4.993     . 0 0 "[ ]" 1 
        903 1  51 ASN HB3  1  51 ASN HD22 . .  4.100 3.946 3.946 3.946     . 0 0 "[ ]" 1 
        904 1  51 ASN HB3  1  52 SER H    . .  4.100 3.956 3.956 3.956     . 0 0 "[ ]" 1 
        905 1  51 ASN HB3  1  53 LEU H    . .  6.000 3.583 3.583 3.583     . 0 0 "[ ]" 1 
        906 1  51 ASN HB3  1  54 HIS H    . .  6.000 4.827 4.827 4.827     . 0 0 "[ ]" 1 
        907 1  52 SER H    1  52 SER HB2  . .  4.200 3.683 3.683 3.683     . 0 0 "[ ]" 1 
        908 1  52 SER H    1  53 LEU H    . .  3.800 2.591 2.591 2.591     . 0 0 "[ ]" 1 
        909 1  52 SER H    1  53 LEU MD1  . .  7.000 4.982 4.982 4.982     . 0 0 "[ ]" 1 
        910 1  52 SER H    1  53 LEU MD2  . .  7.000 4.683 4.683 4.683     . 0 0 "[ ]" 1 
        911 1  52 SER H    1  54 HIS H    . .  5.800 3.734 3.734 3.734     . 0 0 "[ ]" 1 
        912 1  52 SER H    1  54 HIS HD2  . .  6.000 6.014 6.014 6.014 0.014 1 0 "[ ]" 1 
        913 1  52 SER HA   1  53 LEU H    . .  3.600 2.878 2.878 2.878     . 0 0 "[ ]" 1 
        914 1  52 SER HA   1  53 LEU MD2  . .  5.900 5.070 5.070 5.070     . 0 0 "[ ]" 1 
        915 1  52 SER HA   1  54 HIS H    . .  5.300 3.845 3.845 3.845     . 0 0 "[ ]" 1 
        916 1  52 SER HA   1  74 LEU MD2  . .  6.300 4.637 4.637 4.637     . 0 0 "[ ]" 1 
        917 1  52 SER HB2  1  53 LEU H    . .  4.600 4.127 4.127 4.127     . 0 0 "[ ]" 1 
        918 1  52 SER HB2  1  53 LEU MD2  . .  7.000 3.793 3.793 3.793     . 0 0 "[ ]" 1 
        919 1  52 SER HB2  1  74 LEU MD2  . .  7.000 4.345 4.345 4.345     . 0 0 "[ ]" 1 
        920 1  52 SER HB3  1  53 LEU H    . .  4.600 4.472 4.472 4.472     . 0 0 "[ ]" 1 
        921 1  52 SER HB3  1  54 HIS H    . .  6.000 5.843 5.843 5.843     . 0 0 "[ ]" 1 
        922 1  52 SER HB3  1  74 LEU MD1  . .  6.500 4.302 4.302 4.302     . 0 0 "[ ]" 1 
        923 1  52 SER HB3  1  74 LEU MD2  . .  6.200 3.390 3.390 3.390     . 0 0 "[ ]" 1 
        924 1  53 LEU H    1  53 LEU HB2  . .  4.100 3.892 3.892 3.892     . 0 0 "[ ]" 1 
        925 1  53 LEU H    1  53 LEU MD1  . .  5.300 3.267 3.267 3.267     . 0 0 "[ ]" 1 
        926 1  53 LEU H    1  53 LEU MD2  . .  5.400 3.602 3.602 3.602     . 0 0 "[ ]" 1 
        927 1  53 LEU H    1  53 LEU HG   . .  4.900 2.137 2.137 2.137     . 0 0 "[ ]" 1 
        928 1  53 LEU H    1  54 HIS H    . .  3.800 1.939 1.939 1.939     . 0 0 "[ ]" 1 
        929 1  53 LEU H    1  55 VAL MG2  . .  6.500 4.706 4.706 4.706     . 0 0 "[ ]" 1 
        930 1  53 LEU HA   1  53 LEU MD1  . .  4.000 3.642 3.642 3.642     . 0 0 "[ ]" 1 
        931 1  53 LEU HA   1  54 HIS H    . .  4.100 3.236 3.236 3.236     . 0 0 "[ ]" 1 
        932 1  53 LEU HA   1  73 ASP HA   . .  3.600 3.125 3.125 3.125     . 0 0 "[ ]" 1 
        933 1  53 LEU HA   1  74 LEU MD1  . .  7.000 2.979 2.979 2.979     . 0 0 "[ ]" 1 
        934 1  53 LEU HA   1  74 LEU MD2  . .  7.000 4.532 4.532 4.532     . 0 0 "[ ]" 1 
        935 1  53 LEU HA   1  74 LEU HG   . .  6.000 3.169 3.169 3.169     . 0 0 "[ ]" 1 
        936 1  53 LEU HB2  1  54 HIS H    . .  4.500 4.491 4.491 4.491     . 0 0 "[ ]" 1 
        937 1  53 LEU HB2  1  73 ASP HA   . .  6.000 3.242 3.242 3.242     . 0 0 "[ ]" 1 
        938 1  53 LEU HB3  1  54 HIS H    . .  4.700 4.587 4.587 4.587     . 0 0 "[ ]" 1 
        939 1  53 LEU HB3  1  73 ASP H    . .  6.000 6.252 6.252 6.252 0.252 1 0 "[ ]" 1 
        940 1  53 LEU HB3  1  73 ASP HA   . .  6.000 4.263 4.263 4.263     . 0 0 "[ ]" 1 
        941 1  53 LEU HB3  1  74 LEU H    . .  6.000 5.015 5.015 5.015     . 0 0 "[ ]" 1 
        942 1  53 LEU MD1  1  54 HIS H    . .  7.000 3.525 3.525 3.525     . 0 0 "[ ]" 1 
        943 1  53 LEU MD1  1  73 ASP HA   . .  6.700 4.466 4.466 4.466     . 0 0 "[ ]" 1 
        944 1  53 LEU MD1  1  74 LEU H    . .  5.900 6.208 6.208 6.208 0.308 1 0 "[ ]" 1 
        945 1  53 LEU MD2  1  54 HIS H    . .  7.000 4.928 4.928 4.928     . 0 0 "[ ]" 1 
        946 1  53 LEU HG   1  54 HIS H    . .  6.000 3.572 3.572 3.572     . 0 0 "[ ]" 1 
        947 1  54 HIS H    1  54 HIS HB2  . .  3.500 2.698 2.698 2.698     . 0 0 "[ ]" 1 
        948 1  54 HIS H    1  54 HIS HB3  . .  3.700 3.743 3.743 3.743 0.043 1 0 "[ ]" 1 
        949 1  54 HIS H    1  55 VAL H    . .  5.600 4.028 4.028 4.028     . 0 0 "[ ]" 1 
        950 1  54 HIS HA   1  55 VAL H    . .  3.300 2.148 2.148 2.148     . 0 0 "[ ]" 1 
        951 1  54 HIS HA   1  72 ASP HA   . .  3.200 2.320 2.320 2.320     . 0 0 "[ ]" 1 
        952 1  54 HIS HA   1  72 ASP HB2  . .  6.000 4.403 4.403 4.403     . 0 0 "[ ]" 1 
        953 1  54 HIS HA   1  72 ASP HB3  . .  6.000 4.286 4.286 4.286     . 0 0 "[ ]" 1 
        954 1  54 HIS HA   1  73 ASP H    . .  5.200 3.701 3.701 3.701     . 0 0 "[ ]" 1 
        955 1  54 HIS HB2  1  55 VAL H    . .  5.800 4.296 4.296 4.296     . 0 0 "[ ]" 1 
        956 1  54 HIS HB2  1  72 ASP HB2  . .  6.000 6.428 6.428 6.428 0.428 1 0 "[ ]" 1 
        957 1  54 HIS HB3  1  55 VAL H    . .  4.800 3.357 3.357 3.357     . 0 0 "[ ]" 1 
        958 1  54 HIS HB3  1  72 ASP HB2  . .  6.000 5.737 5.737 5.737     . 0 0 "[ ]" 1 
        959 1  54 HIS HD2  1  72 ASP HB2  . .  6.000 6.391 6.391 6.391 0.391 1 0 "[ ]" 1 
        960 1  55 VAL H    1  55 VAL MG1  . .  4.600 3.648 3.648 3.648     . 0 0 "[ ]" 1 
        961 1  55 VAL H    1  55 VAL MG2  . .  4.500 2.291 2.291 2.291     . 0 0 "[ ]" 1 
        962 1  55 VAL H    1  56 GLN H    . .  5.200 4.323 4.323 4.323     . 0 0 "[ ]" 1 
        963 1  55 VAL H    1  71 TYR H    . .  3.400 3.142 3.142 3.142     . 0 0 "[ ]" 1 
        964 1  55 VAL H    1  72 ASP HA   . .  3.400 3.424 3.424 3.424 0.024 1 0 "[ ]" 1 
        965 1  55 VAL H    1  72 ASP HB2  . .  6.000 5.748 5.748 5.748     . 0 0 "[ ]" 1 
        966 1  55 VAL H    1  73 ASP H    . .  6.000 4.079 4.079 4.079     . 0 0 "[ ]" 1 
        967 1  55 VAL HA   1  56 GLN H    . .  3.000 2.266 2.266 2.266     . 0 0 "[ ]" 1 
        968 1  55 VAL HB   1  56 GLN H    . .  3.800 3.308 3.308 3.308     . 0 0 "[ ]" 1 
        969 1  55 VAL MG1  1  56 GLN H    . .  5.400 3.363 3.363 3.363     . 0 0 "[ ]" 1 
        970 1  55 VAL MG1  1  57 PHE CZ   . .  9.000 7.608 7.608 7.608     . 0 0 "[ ]" 1 
        971 1  55 VAL MG1  1  71 TYR CG   . .  9.000 5.699 5.699 5.699     . 0 0 "[ ]" 1 
        972 1  55 VAL MG1  1  71 TYR H    . .  7.000 5.565 5.565 5.565     . 0 0 "[ ]" 1 
        973 1  55 VAL MG1  1  71 TYR HB2  . .  6.700 5.842 5.842 5.842     . 0 0 "[ ]" 1 
        974 1  55 VAL MG1  1  71 TYR HB3  . .  7.000 4.530 4.530 4.530     . 0 0 "[ ]" 1 
        975 1  55 VAL MG1  1  74 LEU HA   . .  7.000 4.020 4.020 4.020     . 0 0 "[ ]" 1 
        976 1  55 VAL MG1  1  74 LEU MD1  . .  7.300 5.706 5.706 5.706     . 0 0 "[ ]" 1 
        977 1  55 VAL MG1  1  74 LEU MD2  . .  6.500 5.167 5.167 5.167     . 0 0 "[ ]" 1 
        978 1  55 VAL MG1  1  75 LEU H    . .  7.000 3.590 3.590 3.590     . 0 0 "[ ]" 1 
        979 1  55 VAL MG1  1  75 LEU HB2  . .  6.700 3.821 3.821 3.821     . 0 0 "[ ]" 1 
        980 1  55 VAL MG1  1  75 LEU MD1  . .  7.200 2.244 2.244 2.244     . 0 0 "[ ]" 1 
        981 1  55 VAL MG1  1  75 LEU MD2  . .  7.600 4.544 4.544 4.544     . 0 0 "[ ]" 1 
        982 1  55 VAL MG1  1  75 LEU HG   . .  6.400 3.765 3.765 3.765     . 0 0 "[ ]" 1 
        983 1  55 VAL MG2  1  56 GLN H    . .  6.900 4.422 4.422 4.422     . 0 0 "[ ]" 1 
        984 1  55 VAL MG2  1  57 PHE CG   . .  9.000 6.578 6.578 6.578     . 0 0 "[ ]" 1 
        985 1  55 VAL MG2  1  57 PHE CZ   . .  9.000 6.729 6.729 6.729     . 0 0 "[ ]" 1 
        986 1  55 VAL MG2  1  71 TYR CG   . .  9.000 3.267 3.267 3.267     . 0 0 "[ ]" 1 
        987 1  55 VAL MG2  1  71 TYR H    . .  5.900 3.707 3.707 3.707     . 0 0 "[ ]" 1 
        988 1  55 VAL MG2  1  71 TYR HB2  . .  6.700 3.745 3.745 3.745     . 0 0 "[ ]" 1 
        989 1  55 VAL MG2  1  71 TYR HB3  . .  7.000 2.163 2.163 2.163     . 0 0 "[ ]" 1 
        990 1  55 VAL MG2  1  73 ASP H    . .  7.000 2.819 2.819 2.819     . 0 0 "[ ]" 1 
        991 1  55 VAL MG2  1  74 LEU HG   . .  6.400 4.497 4.497 4.497     . 0 0 "[ ]" 1 
        992 1  55 VAL MG2  1  75 LEU HB2  . .  5.600 3.626 3.626 3.626     . 0 0 "[ ]" 1 
        993 1  55 VAL MG2  1  75 LEU MD1  . .  7.300 2.352 2.352 2.352     . 0 0 "[ ]" 1 
        994 1  55 VAL MG2  1  75 LEU MD2  . .  7.500 3.484 3.484 3.484     . 0 0 "[ ]" 1 
        995 1  56 GLN H    1  56 GLN HB2  . .  4.200 3.894 3.894 3.894     . 0 0 "[ ]" 1 
        996 1  56 GLN H    1  56 GLN HB3  . .  4.200 3.423 3.423 3.423     . 0 0 "[ ]" 1 
        997 1  56 GLN H    1  56 GLN HE21 . .  6.000 4.864 4.864 4.864     . 0 0 "[ ]" 1 
        998 1  56 GLN H    1  56 GLN HE22 . .  6.000 6.083 6.083 6.083 0.083 1 0 "[ ]" 1 
        999 1  56 GLN H    1  56 GLN HG3  . .  5.100 2.773 2.773 2.773     . 0 0 "[ ]" 1 
       1000 1  56 GLN H    1  57 PHE H    . .  6.000 4.402 4.402 4.402     . 0 0 "[ ]" 1 
       1001 1  56 GLN HA   1  56 GLN HG2  . .  3.700 3.785 3.785 3.785 0.085 1 0 "[ ]" 1 
       1002 1  56 GLN HA   1  56 GLN HG3  . .  3.900 3.658 3.658 3.658     . 0 0 "[ ]" 1 
       1003 1  56 GLN HA   1  57 PHE CG   . .  8.000 4.250 4.250 4.250     . 0 0 "[ ]" 1 
       1004 1  56 GLN HA   1  57 PHE H    . .  3.100 2.282 2.282 2.282     . 0 0 "[ ]" 1 
       1005 1  56 GLN HA   1  70 THR HA   . .  3.100 2.491 2.491 2.491     . 0 0 "[ ]" 1 
       1006 1  56 GLN HA   1  70 THR HB   . .  6.000 4.959 4.959 4.959     . 0 0 "[ ]" 1 
       1007 1  56 GLN HA   1  70 THR MG   . .  5.200 3.841 3.841 3.841     . 0 0 "[ ]" 1 
       1008 1  56 GLN HA   1  71 TYR H    . .  3.300 3.199 3.199 3.199     . 0 0 "[ ]" 1 
       1009 1  56 GLN HB2  1  56 GLN HE22 . .  5.100 4.255 4.255 4.255     . 0 0 "[ ]" 1 
       1010 1  56 GLN HB2  1  57 PHE H    . .  4.400 2.635 2.635 2.635     . 0 0 "[ ]" 1 
       1011 1  56 GLN HB2  1  68 LEU MD1  . .  7.000 5.260 5.260 5.260     . 0 0 "[ ]" 1 
       1012 1  56 GLN HB2  1  70 THR HA   . .  6.000 2.887 2.887 2.887     . 0 0 "[ ]" 1 
       1013 1  56 GLN HB2  1  70 THR MG   . .  5.800 2.687 2.687 2.687     . 0 0 "[ ]" 1 
       1014 1  56 GLN HB2  1  71 TYR H    . .  6.000 4.578 4.578 4.578     . 0 0 "[ ]" 1 
       1015 1  56 GLN HB3  1  56 GLN HG2  . .  3.000 2.401 2.401 2.401     . 0 0 "[ ]" 1 
       1016 1  56 GLN HB3  1  57 PHE H    . .  4.900 3.832 3.832 3.832     . 0 0 "[ ]" 1 
       1017 1  56 GLN HB3  1  70 THR HA   . .  6.000 2.379 2.379 2.379     . 0 0 "[ ]" 1 
       1018 1  56 GLN HB3  1  71 TYR H    . .  6.000 3.330 3.330 3.330     . 0 0 "[ ]" 1 
       1019 1  56 GLN HE21 1  56 GLN HG2  . .  3.500 3.176 3.176 3.176     . 0 0 "[ ]" 1 
       1020 1  56 GLN HE21 1  68 LEU MD1  . .  5.600 5.002 5.002 5.002     . 0 0 "[ ]" 1 
       1021 1  56 GLN HE21 1  68 LEU MD2  . .  5.800 3.591 3.591 3.591     . 0 0 "[ ]" 1 
       1022 1  56 GLN HE22 1  56 GLN HG2  . .  4.100 3.894 3.894 3.894     . 0 0 "[ ]" 1 
       1023 1  56 GLN HE22 1  68 LEU MD1  . .  5.700 4.503 4.503 4.503     . 0 0 "[ ]" 1 
       1024 1  56 GLN HE22 1  68 LEU MD2  . .  6.000 3.558 3.558 3.558     . 0 0 "[ ]" 1 
       1025 1  56 GLN HG2  1  57 PHE H    . .  6.000 4.982 4.982 4.982     . 0 0 "[ ]" 1 
       1026 1  56 GLN HG2  1  70 THR MG   . .  6.000 4.101 4.101 4.101     . 0 0 "[ ]" 1 
       1027 1  56 GLN HG3  1  57 PHE H    . .  5.800 4.014 4.014 4.014     . 0 0 "[ ]" 1 
       1028 1  56 GLN HG3  1  70 THR MG   . .  6.100 4.482 4.482 4.482     . 0 0 "[ ]" 1 
       1029 1  57 PHE CG   1  58 ALA H    . .  8.000 4.160 4.160 4.160     . 0 0 "[ ]" 1 
       1030 1  57 PHE CG   1  59 VAL MG1  . .  8.000 6.290 6.290 6.290     . 0 0 "[ ]" 1 
       1031 1  57 PHE CG   1  59 VAL MG2  . .  9.000 3.914 3.914 3.914     . 0 0 "[ ]" 1 
       1032 1  57 PHE CG   1  69 VAL MG1  . .  9.000 4.169 4.169 4.169     . 0 0 "[ ]" 1 
       1033 1  57 PHE CG   1  69 VAL MG2  . .  9.000 4.425 4.425 4.425     . 0 0 "[ ]" 1 
       1034 1  57 PHE CG   1  75 LEU MD1  . .  9.000 4.526 4.526 4.526     . 0 0 "[ ]" 1 
       1035 1  57 PHE CG   1  75 LEU MD2  . .  9.000 4.798 4.798 4.798     . 0 0 "[ ]" 1 
       1036 1  57 PHE CG   1  79 PHE CZ   . . 10.000 3.229 3.229 3.229     . 0 0 "[ ]" 1 
       1037 1  57 PHE CZ   1  57 PHE H    . .  7.000 4.941 4.941 4.941     . 0 0 "[ ]" 1 
       1038 1  57 PHE CZ   1  59 VAL MG1  . .  8.000 5.704 5.704 5.704     . 0 0 "[ ]" 1 
       1039 1  57 PHE CZ   1  59 VAL MG2  . .  9.000 3.883 3.883 3.883     . 0 0 "[ ]" 1 
       1040 1  57 PHE CZ   1  69 VAL HB   . .  8.000 3.121 3.121 3.121     . 0 0 "[ ]" 1 
       1041 1  57 PHE CZ   1  69 VAL MG1  . .  9.000 2.729 2.729 2.729     . 0 0 "[ ]" 1 
       1042 1  57 PHE CZ   1  69 VAL MG2  . .  9.000 3.639 3.639 3.639     . 0 0 "[ ]" 1 
       1043 1  57 PHE CZ   1  71 TYR CG   . . 10.000 5.873 5.873 5.873     . 0 0 "[ ]" 1 
       1044 1  57 PHE CZ   1  71 TYR CZ   . . 10.000 7.173 7.173 7.173     . 0 0 "[ ]" 1 
       1045 1  57 PHE CZ   1  75 LEU MD2  . .  8.700 3.935 3.935 3.935     . 0 0 "[ ]" 1 
       1046 1  57 PHE CZ   1  79 PHE CG   . .  9.100 5.214 5.214 5.214     . 0 0 "[ ]" 1 
       1047 1  57 PHE CZ   1  79 PHE CZ   . . 10.000 4.081 4.081 4.081     . 0 0 "[ ]" 1 
       1048 1  57 PHE CZ   1  85 ILE HB   . .  8.000 6.514 6.514 6.514     . 0 0 "[ ]" 1 
       1049 1  57 PHE CZ   1  85 ILE MD   . .  8.800 3.078 3.078 3.078     . 0 0 "[ ]" 1 
       1050 1  57 PHE CZ   1  85 ILE HG12 . .  8.000 5.115 5.115 5.115     . 0 0 "[ ]" 1 
       1051 1  57 PHE CZ   1  85 ILE MG   . .  9.000 5.986 5.986 5.986     . 0 0 "[ ]" 1 
       1052 1  57 PHE CZ   1 102 VAL MG2  . .  9.000 5.138 5.138 5.138     . 0 0 "[ ]" 1 
       1053 1  57 PHE H    1  57 PHE HZ   . .  6.000 5.863 5.863 5.863     . 0 0 "[ ]" 1 
       1054 1  57 PHE H    1  58 ALA H    . .  4.800 4.391 4.391 4.391     . 0 0 "[ ]" 1 
       1055 1  57 PHE H    1  68 LEU MD2  . .  5.100 3.244 3.244 3.244     . 0 0 "[ ]" 1 
       1056 1  57 PHE H    1  69 VAL H    . .  3.200 3.079 3.079 3.079     . 0 0 "[ ]" 1 
       1057 1  57 PHE H    1  69 VAL HB   . .  6.000 3.316 3.316 3.316     . 0 0 "[ ]" 1 
       1058 1  57 PHE H    1  69 VAL MG1  . .  6.700 4.178 4.178 4.178     . 0 0 "[ ]" 1 
       1059 1  57 PHE H    1  69 VAL MG2  . .  6.500 4.606 4.606 4.606     . 0 0 "[ ]" 1 
       1060 1  57 PHE H    1  70 THR HA   . .  3.600 3.656 3.656 3.656 0.056 1 0 "[ ]" 1 
       1061 1  57 PHE HA   1  58 ALA H    . .  3.500 2.297 2.297 2.297     . 0 0 "[ ]" 1 
       1062 1  57 PHE HB2  1  58 ALA H    . .  3.800 2.631 2.631 2.631     . 0 0 "[ ]" 1 
       1063 1  57 PHE HB3  1  58 ALA H    . .  4.100 3.847 3.847 3.847     . 0 0 "[ ]" 1 
       1064 1  57 PHE HB3  1  71 TYR CG   . .  8.000 7.755 7.755 7.755     . 0 0 "[ ]" 1 
       1065 1  57 PHE HZ   1  59 VAL MG1  . .  6.300 5.720 5.720 5.720     . 0 0 "[ ]" 1 
       1066 1  57 PHE HZ   1  75 LEU MD1  . .  7.000 5.274 5.274 5.274     . 0 0 "[ ]" 1 
       1067 1  57 PHE HZ   1  75 LEU MD2  . .  7.000 3.954 3.954 3.954     . 0 0 "[ ]" 1 
       1068 1  57 PHE HZ   1  79 PHE CG   . .  6.800 5.730 5.730 5.730     . 0 0 "[ ]" 1 
       1069 1  57 PHE HZ   1  79 PHE CZ   . .  8.000 4.815 4.815 4.815     . 0 0 "[ ]" 1 
       1070 1  57 PHE HZ   1  85 ILE HB   . .  6.000 6.004 6.004 6.004 0.004 1 0 "[ ]" 1 
       1071 1  57 PHE HZ   1  85 ILE MD   . .  6.700 2.714 2.714 2.714     . 0 0 "[ ]" 1 
       1072 1  57 PHE HZ   1  85 ILE HG12 . .  6.000 5.069 5.069 5.069     . 0 0 "[ ]" 1 
       1073 1  57 PHE HZ   1 102 VAL MG1  . .  7.000 2.590 2.590 2.590     . 0 0 "[ ]" 1 
       1074 1  57 PHE HZ   1 102 VAL MG2  . .  7.000 4.652 4.652 4.652     . 0 0 "[ ]" 1 
       1075 1  58 ALA H    1  58 ALA MB   . .  3.500 2.407 2.407 2.407     . 0 0 "[ ]" 1 
       1076 1  58 ALA HA   1  59 VAL H    . .  3.400 2.175 2.175 2.175     . 0 0 "[ ]" 1 
       1077 1  58 ALA HA   1  67 ILE MG   . .  6.500 4.337 4.337 4.337     . 0 0 "[ ]" 1 
       1078 1  58 ALA HA   1  68 LEU HA   . .  3.100 2.373 2.373 2.373     . 0 0 "[ ]" 1 
       1079 1  58 ALA HA   1  68 LEU MD1  . .  7.000 4.838 4.838 4.838     . 0 0 "[ ]" 1 
       1080 1  58 ALA HA   1  68 LEU MD2  . .  5.000 3.508 3.508 3.508     . 0 0 "[ ]" 1 
       1081 1  58 ALA HA   1  69 VAL H    . .  3.200 3.201 3.201 3.201 0.001 1 0 "[ ]" 1 
       1082 1  58 ALA MB   1  59 VAL H    . .  4.000 3.025 3.025 3.025     . 0 0 "[ ]" 1 
       1083 1  58 ALA MB   1  66 GLU HG2  . .  6.200 2.334 2.334 2.334     . 0 0 "[ ]" 1 
       1084 1  58 ALA MB   1  66 GLU HG3  . .  6.200 2.608 2.608 2.608     . 0 0 "[ ]" 1 
       1085 1  58 ALA MB   1  67 ILE H    . .  7.000 4.287 4.287 4.287     . 0 0 "[ ]" 1 
       1086 1  58 ALA MB   1  68 LEU H    . .  6.300 5.238 5.238 5.238     . 0 0 "[ ]" 1 
       1087 1  58 ALA MB   1  68 LEU HA   . .  6.200 3.495 3.495 3.495     . 0 0 "[ ]" 1 
       1088 1  58 ALA MB   1  68 LEU MD1  . .  6.200 3.952 3.952 3.952     . 0 0 "[ ]" 1 
       1089 1  58 ALA MB   1  68 LEU MD2  . .  6.800 3.438 3.438 3.438     . 0 0 "[ ]" 1 
       1090 1  58 ALA MB   1  68 LEU HG   . .  4.400 2.994 2.994 2.994     . 0 0 "[ ]" 1 
       1091 1  58 ALA MB   1  69 VAL H    . .  6.200 4.538 4.538 4.538     . 0 0 "[ ]" 1 
       1092 1  59 VAL H    1  59 VAL HB   . .  3.900 2.615 2.615 2.615     . 0 0 "[ ]" 1 
       1093 1  59 VAL H    1  59 VAL MG1  . .  4.400 3.651 3.651 3.651     . 0 0 "[ ]" 1 
       1094 1  59 VAL H    1  60 HIS H    . .  4.500 4.385 4.385 4.385     . 0 0 "[ ]" 1 
       1095 1  59 VAL H    1  60 HIS HD2  . .  6.000 5.519 5.519 5.519     . 0 0 "[ ]" 1 
       1096 1  59 VAL H    1  67 ILE H    . .  3.200 3.072 3.072 3.072     . 0 0 "[ ]" 1 
       1097 1  59 VAL H    1  67 ILE MD   . .  7.000 5.526 5.526 5.526     . 0 0 "[ ]" 1 
       1098 1  59 VAL H    1  67 ILE MG   . .  6.000 3.083 3.083 3.083     . 0 0 "[ ]" 1 
       1099 1  59 VAL H    1  68 LEU HA   . .  3.400 3.497 3.497 3.497 0.097 1 0 "[ ]" 1 
       1100 1  59 VAL H    1  68 LEU MD2  . .  5.700 5.158 5.158 5.158     . 0 0 "[ ]" 1 
       1101 1  59 VAL HA   1  60 HIS H    . .  3.100 2.181 2.181 2.181     . 0 0 "[ ]" 1 
       1102 1  59 VAL HA   1  67 ILE MG   . .  7.000 4.883 4.883 4.883     . 0 0 "[ ]" 1 
       1103 1  59 VAL HB   1  60 HIS H    . .  5.200 4.392 4.392 4.392     . 0 0 "[ ]" 1 
       1104 1  59 VAL HB   1  67 ILE MG   . .  6.000 2.933 2.933 2.933     . 0 0 "[ ]" 1 
       1105 1  59 VAL HB   1  69 VAL MG1  . .  7.000 4.842 4.842 4.842     . 0 0 "[ ]" 1 
       1106 1  59 VAL HB   1  69 VAL MG2  . .  7.000 2.631 2.631 2.631     . 0 0 "[ ]" 1 
       1107 1  59 VAL MG1  1  60 HIS H    . .  5.800 2.652 2.652 2.652     . 0 0 "[ ]" 1 
       1108 1  59 VAL MG1  1  67 ILE H    . .  7.000 4.009 4.009 4.009     . 0 0 "[ ]" 1 
       1109 1  59 VAL MG1  1  67 ILE MG   . .  7.000 3.002 3.002 3.002     . 0 0 "[ ]" 1 
       1110 1  59 VAL MG1  1  69 VAL HB   . .  5.700 5.536 5.536 5.536     . 0 0 "[ ]" 1 
       1111 1  59 VAL MG1  1  69 VAL MG1  . .  7.900 5.189 5.189 5.189     . 0 0 "[ ]" 1 
       1112 1  59 VAL MG1  1  69 VAL MG2  . .  6.500 3.521 3.521 3.521     . 0 0 "[ ]" 1 
       1113 1  59 VAL MG1  1  79 PHE CZ   . .  9.000 5.959 5.959 5.959     . 0 0 "[ ]" 1 
       1114 1  59 VAL MG2  1  60 HIS H    . .  5.100 3.457 3.457 3.457     . 0 0 "[ ]" 1 
       1115 1  59 VAL MG2  1  67 ILE HB   . .  7.000 6.293 6.293 6.293     . 0 0 "[ ]" 1 
       1116 1  59 VAL MG2  1  67 ILE QG   . .  8.000 6.910 6.910 6.910     . 0 0 "[ ]" 1 
       1117 1  59 VAL MG2  1  84 GLY HA3  . .  7.000 6.212 6.212 6.212     . 0 0 "[ ]" 1 
       1118 1  60 HIS H    1  60 HIS HD2  . .  6.000 2.396 2.396 2.396     . 0 0 "[ ]" 1 
       1119 1  60 HIS H    1  61 ASP H    . .  4.500 4.328 4.328 4.328     . 0 0 "[ ]" 1 
       1120 1  60 HIS HA   1  61 ASP H    . .  3.400 2.727 2.727 2.727     . 0 0 "[ ]" 1 
       1121 1  60 HIS HA   1  66 GLU HA   . .  3.100 2.287 2.287 2.287     . 0 0 "[ ]" 1 
       1122 1  60 HIS HA   1  66 GLU QB   . .  7.000 4.047 4.047 4.047     . 0 0 "[ ]" 1 
       1123 1  60 HIS HA   1  66 GLU HG2  . .  6.000 5.110 5.110 5.110     . 0 0 "[ ]" 1 
       1124 1  60 HIS HA   1  66 GLU HG3  . .  6.000 3.772 3.772 3.772     . 0 0 "[ ]" 1 
       1125 1  60 HIS HA   1  67 ILE H    . .  4.100 3.207 3.207 3.207     . 0 0 "[ ]" 1 
       1126 1  60 HIS HB2  1  60 HIS HD2  . .  4.100 3.926 3.926 3.926     . 0 0 "[ ]" 1 
       1127 1  60 HIS HB2  1  61 ASP H    . .  4.000 2.103 2.103 2.103     . 0 0 "[ ]" 1 
       1128 1  60 HIS HB2  1  61 ASP HB3  . .  6.000 4.720 4.720 4.720     . 0 0 "[ ]" 1 
       1129 1  60 HIS HB2  1  66 GLU QB   . .  7.000 2.979 2.979 2.979     . 0 0 "[ ]" 1 
       1130 1  60 HIS HB2  1  66 GLU HG2  . .  6.000 5.197 5.197 5.197     . 0 0 "[ ]" 1 
       1131 1  60 HIS HB3  1  60 HIS HE1  . .  5.500 5.253 5.253 5.253     . 0 0 "[ ]" 1 
       1132 1  60 HIS HB3  1  61 ASP H    . .  4.700 3.597 3.597 3.597     . 0 0 "[ ]" 1 
       1133 1  60 HIS HB3  1  66 GLU HA   . .  6.000 2.456 2.456 2.456     . 0 0 "[ ]" 1 
       1134 1  60 HIS HB3  1  66 GLU QB   . .  7.000 2.585 2.585 2.585     . 0 0 "[ ]" 1 
       1135 1  60 HIS HB3  1  66 GLU HG3  . .  6.000 2.345 2.345 2.345     . 0 0 "[ ]" 1 
       1136 1  60 HIS HD2  1  61 ASP HA   . .  6.000 5.630 5.630 5.630     . 0 0 "[ ]" 1 
       1137 1  60 HIS HD2  1  66 GLU HA   . .  6.000 5.192 5.192 5.192     . 0 0 "[ ]" 1 
       1138 1  61 ASP H    1  61 ASP HB2  . .  4.100 3.177 3.177 3.177     . 0 0 "[ ]" 1 
       1139 1  61 ASP H    1  63 LEU H    . .  4.700 4.326 4.326 4.326     . 0 0 "[ ]" 1 
       1140 1  61 ASP H    1  63 LEU HA   . .  6.000 6.072 6.072 6.072 0.072 1 0 "[ ]" 1 
       1141 1  61 ASP H    1  65 GLY H    . .  4.300 3.139 3.139 3.139     . 0 0 "[ ]" 1 
       1142 1  61 ASP H    1  66 GLU HA   . .  4.600 4.168 4.168 4.168     . 0 0 "[ ]" 1 
       1143 1  61 ASP H    1  66 GLU HG3  . .  6.000 5.677 5.677 5.677     . 0 0 "[ ]" 1 
       1144 1  61 ASP HA   1  63 LEU H    . .  6.000 4.064 4.064 4.064     . 0 0 "[ ]" 1 
       1145 1  61 ASP HB2  1  63 LEU H    . .  6.000 3.986 3.986 3.986     . 0 0 "[ ]" 1 
       1146 1  61 ASP HB3  1  63 LEU H    . .  6.000 2.557 2.557 2.557     . 0 0 "[ ]" 1 
       1147 1  63 LEU H    1  63 LEU HB2  . .  3.500 2.421 2.421 2.421     . 0 0 "[ ]" 1 
       1148 1  63 LEU H    1  63 LEU HB3  . .  4.100 3.590 3.590 3.590     . 0 0 "[ ]" 1 
       1149 1  63 LEU H    1  63 LEU HG   . .  4.400 2.249 2.249 2.249     . 0 0 "[ ]" 1 
       1150 1  63 LEU H    1  64 GLY H    . .  3.700 2.885 2.885 2.885     . 0 0 "[ ]" 1 
       1151 1  63 LEU H    1  64 GLY HA3  . .  6.000 5.406 5.406 5.406     . 0 0 "[ ]" 1 
       1152 1  63 LEU H    1  65 GLY H    . .  5.400 4.546 4.546 4.546     . 0 0 "[ ]" 1 
       1153 1  63 LEU H    1  65 GLY QA   . .  6.000 6.138 6.138 6.138 0.138 1 0 "[ ]" 1 
       1154 1  63 LEU HA   1  63 LEU MD2  . .  4.200 2.192 2.192 2.192     . 0 0 "[ ]" 1 
       1155 1  63 LEU HA   1  64 GLY H    . .  3.600 3.380 3.380 3.380     . 0 0 "[ ]" 1 
       1156 1  63 LEU HB2  1  64 GLY H    . .  5.100 3.537 3.537 3.537     . 0 0 "[ ]" 1 
       1157 1  63 LEU HB2  1  65 GLY H    . .  5.400 3.548 3.548 3.548     . 0 0 "[ ]" 1 
       1158 1  63 LEU HB3  1  64 GLY H    . .  4.800 4.277 4.277 4.277     . 0 0 "[ ]" 1 
       1159 1  63 LEU HB3  1  65 GLY H    . .  5.300 4.180 4.180 4.180     . 0 0 "[ ]" 1 
       1160 1  63 LEU HG   1  64 GLY H    . .  6.000 4.784 4.784 4.784     . 0 0 "[ ]" 1 
       1161 1  64 GLY H    1  65 GLY H    . .  3.500 2.787 2.787 2.787     . 0 0 "[ ]" 1 
       1162 1  64 GLY H    1  65 GLY QA   . .  6.000 4.715 4.715 4.715     . 0 0 "[ ]" 1 
       1163 1  64 GLY HA2  1  65 GLY H    . .  6.000 3.029 3.029 3.029     . 0 0 "[ ]" 1 
       1164 1  64 GLY HA3  1  65 GLY H    . .  5.200 3.533 3.533 3.533     . 0 0 "[ ]" 1 
       1165 1  65 GLY H    1  66 GLU H    . .  5.000 3.742 3.742 3.742     . 0 0 "[ ]" 1 
       1166 1  65 GLY QA   1  66 GLU H    . .  3.400 2.376 2.376 2.376     . 0 0 "[ ]" 1 
       1167 1  66 GLU H    1  67 ILE H    . .  6.000 4.601 4.601 4.601     . 0 0 "[ ]" 1 
       1168 1  66 GLU HA   1  66 GLU HG2  . .  3.900 3.208 3.208 3.208     . 0 0 "[ ]" 1 
       1169 1  66 GLU HA   1  66 GLU HG3  . .  3.900 2.427 2.427 2.427     . 0 0 "[ ]" 1 
       1170 1  66 GLU HA   1  67 ILE H    . .  3.200 2.178 2.178 2.178     . 0 0 "[ ]" 1 
       1171 1  66 GLU HA   1  67 ILE MG   . .  7.000 4.703 4.703 4.703     . 0 0 "[ ]" 1 
       1172 1  66 GLU QB   1  67 ILE H    . .  6.100 3.753 3.753 3.753     . 0 0 "[ ]" 1 
       1173 1  66 GLU HG2  1  67 ILE H    . .  5.500 3.174 3.174 3.174     . 0 0 "[ ]" 1 
       1174 1  66 GLU HG3  1  67 ILE H    . .  5.600 2.912 2.912 2.912     . 0 0 "[ ]" 1 
       1175 1  67 ILE H    1  67 ILE MD   . .  5.600 4.415 4.415 4.415     . 0 0 "[ ]" 1 
       1176 1  67 ILE HA   1  67 ILE MD   . .  4.100 2.093 2.093 2.093     . 0 0 "[ ]" 1 
       1177 1  67 ILE HA   1  68 LEU H    . .  3.300 2.290 2.290 2.290     . 0 0 "[ ]" 1 
       1178 1  67 ILE HB   1  68 LEU H    . .  4.400 4.247 4.247 4.247     . 0 0 "[ ]" 1 
       1179 1  67 ILE MD   1  68 LEU H    . .  5.700 2.036 2.036 2.036     . 0 0 "[ ]" 1 
       1180 1  67 ILE MD   1  96 LYS HD2  . .  5.400 5.025 5.025 5.025     . 0 0 "[ ]" 1 
       1181 1  67 ILE MD   1  97 LEU H    . .  5.900 3.885 3.885 3.885     . 0 0 "[ ]" 1 
       1182 1  67 ILE MD   1  97 LEU HB2  . .  6.400 5.007 5.007 5.007     . 0 0 "[ ]" 1 
       1183 1  67 ILE MD   1  97 LEU QD   . .  5.800 2.921 2.921 2.921     . 0 0 "[ ]" 1 
       1184 1  67 ILE QG   1  68 LEU H    . .  7.000 3.692 3.692 3.692     . 0 0 "[ ]" 1 
       1185 1  67 ILE QG   1  96 LYS HD2  . .  7.000 7.361 7.361 7.361 0.361 1 0 "[ ]" 1 
       1186 1  67 ILE QG   1  97 LEU QD   . .  8.000 2.912 2.912 2.912     . 0 0 "[ ]" 1 
       1187 1  67 ILE MG   1  68 LEU H    . .  7.000 2.884 2.884 2.884     . 0 0 "[ ]" 1 
       1188 1  67 ILE MG   1  69 VAL MG1  . .  6.800 4.304 4.304 4.304     . 0 0 "[ ]" 1 
       1189 1  67 ILE MG   1  97 LEU QD   . .  5.200 2.372 2.372 2.372     . 0 0 "[ ]" 1 
       1190 1  68 LEU H    1  68 LEU HB2  . .  3.500 2.255 2.255 2.255     . 0 0 "[ ]" 1 
       1191 1  68 LEU H    1  68 LEU HB3  . .  4.100 3.252 3.252 3.252     . 0 0 "[ ]" 1 
       1192 1  68 LEU H    1  68 LEU MD1  . .  5.400 4.021 4.021 4.021     . 0 0 "[ ]" 1 
       1193 1  68 LEU H    1  68 LEU MD2  . .  5.700 4.428 4.428 4.428     . 0 0 "[ ]" 1 
       1194 1  68 LEU H    1  68 LEU HG   . .  4.800 3.976 3.976 3.976     . 0 0 "[ ]" 1 
       1195 1  68 LEU H    1  69 VAL H    . .  5.500 4.456 4.456 4.456     . 0 0 "[ ]" 1 
       1196 1  68 LEU H    1  96 LYS HD2  . .  5.200 4.733 4.733 4.733     . 0 0 "[ ]" 1 
       1197 1  68 LEU H    1  96 LYS QG   . .  7.000 4.310 4.310 4.310     . 0 0 "[ ]" 1 
       1198 1  68 LEU H    1  97 LEU H    . .  5.700 4.870 4.870 4.870     . 0 0 "[ ]" 1 
       1199 1  68 LEU H    1  97 LEU HG   . .  6.000 4.633 4.633 4.633     . 0 0 "[ ]" 1 
       1200 1  68 LEU HA   1  68 LEU MD1  . .  4.800 3.729 3.729 3.729     . 0 0 "[ ]" 1 
       1201 1  68 LEU HA   1  69 VAL H    . .  3.400 2.163 2.163 2.163     . 0 0 "[ ]" 1 
       1202 1  68 LEU HB2  1  69 VAL H    . .  4.700 4.517 4.517 4.517     . 0 0 "[ ]" 1 
       1203 1  68 LEU HB2  1  70 THR MG   . .  7.000 5.344 5.344 5.344     . 0 0 "[ ]" 1 
       1204 1  68 LEU HB2  1  96 LYS QB   . .  5.300 5.313 5.313 5.313 0.013 1 0 "[ ]" 1 
       1205 1  68 LEU HB2  1  96 LYS HD3  . .  5.500 3.224 3.224 3.224     . 0 0 "[ ]" 1 
       1206 1  68 LEU HB2  1  96 LYS HE2  . .  6.000 4.953 4.953 4.953     . 0 0 "[ ]" 1 
       1207 1  68 LEU HB3  1  68 LEU HG   . .  3.100 3.029 3.029 3.029     . 0 0 "[ ]" 1 
       1208 1  68 LEU HB3  1  69 VAL H    . .  4.200 3.643 3.643 3.643     . 0 0 "[ ]" 1 
       1209 1  68 LEU HB3  1  96 LYS QB   . .  5.400 4.292 4.292 4.292     . 0 0 "[ ]" 1 
       1210 1  68 LEU HB3  1  96 LYS QG   . .  7.000 2.185 2.185 2.185     . 0 0 "[ ]" 1 
       1211 1  68 LEU MD1  1  69 VAL H    . .  6.400 4.942 4.942 4.942     . 0 0 "[ ]" 1 
       1212 1  68 LEU MD1  1  96 LYS HE2  . .  7.000 4.246 4.246 4.246     . 0 0 "[ ]" 1 
       1213 1  68 LEU MD1  1  96 LYS HE3  . .  7.000 5.190 5.190 5.190     . 0 0 "[ ]" 1 
       1214 1  68 LEU MD1  1  96 LYS QG   . .  8.000 3.643 3.643 3.643     . 0 0 "[ ]" 1 
       1215 1  68 LEU MD2  1  69 VAL H    . .  4.400 2.589 2.589 2.589     . 0 0 "[ ]" 1 
       1216 1  68 LEU MD2  1  96 LYS HE2  . .  7.000 5.500 5.500 5.500     . 0 0 "[ ]" 1 
       1217 1  68 LEU MD2  1  96 LYS HE3  . .  7.000 5.884 5.884 5.884     . 0 0 "[ ]" 1 
       1218 1  68 LEU MD2  1  96 LYS QG   . .  7.600 3.144 3.144 3.144     . 0 0 "[ ]" 1 
       1219 1  68 LEU HG   1  69 VAL H    . .  5.300 4.026 4.026 4.026     . 0 0 "[ ]" 1 
       1220 1  69 VAL H    1  69 VAL HB   . .  4.000 2.548 2.548 2.548     . 0 0 "[ ]" 1 
       1221 1  69 VAL H    1  69 VAL MG2  . .  4.200 2.620 2.620 2.620     . 0 0 "[ ]" 1 
       1222 1  69 VAL H    1  70 THR H    . .  5.100 4.428 4.428 4.428     . 0 0 "[ ]" 1 
       1223 1  69 VAL HA   1  70 THR H    . .  3.300 2.216 2.216 2.216     . 0 0 "[ ]" 1 
       1224 1  69 VAL HA   1  70 THR MG   . .  4.700 3.920 3.920 3.920     . 0 0 "[ ]" 1 
       1225 1  69 VAL HA   1  97 LEU H    . .  3.800 2.573 2.573 2.573     . 0 0 "[ ]" 1 
       1226 1  69 VAL HA   1  97 LEU HB2  . .  6.000 2.584 2.584 2.584     . 0 0 "[ ]" 1 
       1227 1  69 VAL HA   1  97 LEU HB3  . .  6.000 4.321 4.321 4.321     . 0 0 "[ ]" 1 
       1228 1  69 VAL HB   1  70 THR H    . .  5.300 4.044 4.044 4.044     . 0 0 "[ ]" 1 
       1229 1  69 VAL HB   1  99 ALA MB   . .  6.900 4.288 4.288 4.288     . 0 0 "[ ]" 1 
       1230 1  69 VAL MG1  1  70 THR H    . .  4.900 2.529 2.529 2.529     . 0 0 "[ ]" 1 
       1231 1  69 VAL MG1  1  70 THR HA   . .  7.000 3.868 3.868 3.868     . 0 0 "[ ]" 1 
       1232 1  69 VAL MG1  1  79 PHE CG   . .  9.000 7.104 7.104 7.104     . 0 0 "[ ]" 1 
       1233 1  69 VAL MG1  1  87 ALA MB   . .  5.900 2.646 2.646 2.646     . 0 0 "[ ]" 1 
       1234 1  69 VAL MG1  1  96 LYS QG   . .  8.000 5.337 5.337 5.337     . 0 0 "[ ]" 1 
       1235 1  69 VAL MG1  1  97 LEU H    . .  6.400 3.999 3.999 3.999     . 0 0 "[ ]" 1 
       1236 1  69 VAL MG1  1  97 LEU HB2  . .  5.500 2.270 2.270 2.270     . 0 0 "[ ]" 1 
       1237 1  69 VAL MG1  1  97 LEU HB3  . .  4.400 3.479 3.479 3.479     . 0 0 "[ ]" 1 
       1238 1  69 VAL MG1  1  97 LEU QD   . .  6.600 3.158 3.158 3.158     . 0 0 "[ ]" 1 
       1239 1  69 VAL MG1  1  99 ALA H    . .  5.100 2.952 2.952 2.952     . 0 0 "[ ]" 1 
       1240 1  69 VAL MG1  1  99 ALA MB   . .  7.400 1.975 1.975 1.975     . 0 0 "[ ]" 1 
       1241 1  69 VAL MG2  1  70 THR H    . .  5.400 4.094 4.094 4.094     . 0 0 "[ ]" 1 
       1242 1  69 VAL MG2  1  87 ALA MB   . .  6.100 3.187 3.187 3.187     . 0 0 "[ ]" 1 
       1243 1  69 VAL MG2  1  96 LYS QG   . .  8.000 5.091 5.091 5.091     . 0 0 "[ ]" 1 
       1244 1  69 VAL MG2  1  97 LEU H    . .  6.600 3.764 3.764 3.764     . 0 0 "[ ]" 1 
       1245 1  69 VAL MG2  1  97 LEU HB2  . .  5.500 2.617 2.617 2.617     . 0 0 "[ ]" 1 
       1246 1  69 VAL MG2  1  99 ALA H    . .  7.000 5.281 5.281 5.281     . 0 0 "[ ]" 1 
       1247 1  69 VAL MG2  1  99 ALA MB   . .  8.000 3.653 3.653 3.653     . 0 0 "[ ]" 1 
       1248 1  70 THR H    1  70 THR MG   . .  4.300 3.095 3.095 3.095     . 0 0 "[ ]" 1 
       1249 1  70 THR H    1  71 TYR H    . .  5.000 4.457 4.457 4.457     . 0 0 "[ ]" 1 
       1250 1  70 THR H    1  96 LYS QG   . .  7.000 4.233 4.233 4.233     . 0 0 "[ ]" 1 
       1251 1  70 THR H    1  97 LEU H    . .  3.500 3.537 3.537 3.537 0.037 1 0 "[ ]" 1 
       1252 1  70 THR H    1  98 ALA HA   . .  3.100 3.206 3.206 3.206 0.106 1 0 "[ ]" 1 
       1253 1  70 THR H    1  99 ALA H    . .  3.400 3.172 3.172 3.172     . 0 0 "[ ]" 1 
       1254 1  70 THR HA   1  70 THR MG   . .  3.500 2.305 2.305 2.305     . 0 0 "[ ]" 1 
       1255 1  70 THR HA   1  71 TYR H    . .  3.300 2.293 2.293 2.293     . 0 0 "[ ]" 1 
       1256 1  70 THR HB   1  71 TYR H    . .  4.300 3.090 3.090 3.090     . 0 0 "[ ]" 1 
       1257 1  70 THR HB   1  98 ALA HA   . .  6.000 3.845 3.845 3.845     . 0 0 "[ ]" 1 
       1258 1  70 THR HB   1  98 ALA MB   . .  7.000 4.432 4.432 4.432     . 0 0 "[ ]" 1 
       1259 1  70 THR MG   1  71 TYR H    . .  5.500 3.732 3.732 3.732     . 0 0 "[ ]" 1 
       1260 1  70 THR MG   1  96 LYS QB   . .  7.000 2.907 2.907 2.907     . 0 0 "[ ]" 1 
       1261 1  70 THR MG   1  98 ALA HA   . .  7.000 4.551 4.551 4.551     . 0 0 "[ ]" 1 
       1262 1  71 TYR CG   1  72 ASP H    . .  8.000 3.827 3.827 3.827     . 0 0 "[ ]" 1 
       1263 1  71 TYR CG   1  73 ASP H    . .  8.000 4.023 4.023 4.023     . 0 0 "[ ]" 1 
       1264 1  71 TYR CG   1  75 LEU MD2  . .  8.500 2.869 2.869 2.869     . 0 0 "[ ]" 1 
       1265 1  71 TYR CG   1  99 ALA MB   . .  8.400 4.337 4.337 4.337     . 0 0 "[ ]" 1 
       1266 1  71 TYR CG   1 100 THR HG1  . .  8.000 4.639 4.639 4.639     . 0 0 "[ ]" 1 
       1267 1  71 TYR CG   1 102 VAL MG2  . .  9.000 4.660 4.660 4.660     . 0 0 "[ ]" 1 
       1268 1  71 TYR CZ   1  73 ASP H    . .  8.000 4.942 4.942 4.942     . 0 0 "[ ]" 1 
       1269 1  71 TYR CZ   1  73 ASP HB2  . .  8.000 5.617 5.617 5.617     . 0 0 "[ ]" 1 
       1270 1  71 TYR CZ   1  73 ASP HB3  . .  8.000 4.098 4.098 4.098     . 0 0 "[ ]" 1 
       1271 1  71 TYR CZ   1  75 LEU HA   . .  8.000 3.047 3.047 3.047     . 0 0 "[ ]" 1 
       1272 1  71 TYR CZ   1  75 LEU MD1  . .  9.000 4.951 4.951 4.951     . 0 0 "[ ]" 1 
       1273 1  71 TYR CZ   1  75 LEU MD2  . .  9.000 2.753 2.753 2.753     . 0 0 "[ ]" 1 
       1274 1  71 TYR CZ   1 100 THR HA   . .  8.000 2.879 2.879 2.879     . 0 0 "[ ]" 1 
       1275 1  71 TYR CZ   1 100 THR HG1  . .  6.800 3.352 3.352 3.352     . 0 0 "[ ]" 1 
       1276 1  71 TYR CZ   1 101 GLU H    . .  8.000 5.910 5.910 5.910     . 0 0 "[ ]" 1 
       1277 1  71 TYR CZ   1 102 VAL H    . .  8.000 4.298 4.298 4.298     . 0 0 "[ ]" 1 
       1278 1  71 TYR CZ   1 102 VAL MG2  . .  8.600 3.166 3.166 3.166     . 0 0 "[ ]" 1 
       1279 1  71 TYR H    1  71 TYR HB2  . .  3.800 2.982 2.982 2.982     . 0 0 "[ ]" 1 
       1280 1  71 TYR H    1  72 ASP H    . .  5.500 4.258 4.258 4.258     . 0 0 "[ ]" 1 
       1281 1  71 TYR HA   1  72 ASP H    . .  3.100 2.265 2.265 2.265     . 0 0 "[ ]" 1 
       1282 1  71 TYR HA   1  99 ALA H    . .  4.300 3.378 3.378 3.378     . 0 0 "[ ]" 1 
       1283 1  71 TYR HB2  1  72 ASP H    . .  5.700 4.529 4.529 4.529     . 0 0 "[ ]" 1 
       1284 1  71 TYR HB3  1  72 ASP H    . .  4.900 4.306 4.306 4.306     . 0 0 "[ ]" 1 
       1285 1  71 TYR HB3  1  75 LEU MD1  . .  7.000 3.307 3.307 3.307     . 0 0 "[ ]" 1 
       1286 1  71 TYR HB3  1  75 LEU MD2  . .  7.000 3.293 3.293 3.293     . 0 0 "[ ]" 1 
       1287 1  71 TYR HB3  1 102 VAL MG2  . .  7.000 5.907 5.907 5.907     . 0 0 "[ ]" 1 
       1288 1  71 TYR HH   1  73 ASP HB2  . .  6.000 6.316 6.316 6.316 0.316 1 0 "[ ]" 1 
       1289 1  71 TYR HH   1  75 LEU HA   . .  6.000 3.912 3.912 3.912     . 0 0 "[ ]" 1 
       1290 1  71 TYR HH   1  75 LEU MD2  . .  7.000 3.767 3.767 3.767     . 0 0 "[ ]" 1 
       1291 1  71 TYR HH   1 100 THR HA   . .  6.000 3.040 3.040 3.040     . 0 0 "[ ]" 1 
       1292 1  71 TYR HH   1 100 THR HG1  . .  5.700 3.204 3.204 3.204     . 0 0 "[ ]" 1 
       1293 1  71 TYR HH   1 101 GLU HA   . .  6.000 3.996 3.996 3.996     . 0 0 "[ ]" 1 
       1294 1  71 TYR HH   1 102 VAL H    . .  6.000 2.922 2.922 2.922     . 0 0 "[ ]" 1 
       1295 1  71 TYR HH   1 102 VAL HB   . .  6.000 5.571 5.571 5.571     . 0 0 "[ ]" 1 
       1296 1  71 TYR HH   1 102 VAL MG2  . .  7.000 2.573 2.573 2.573     . 0 0 "[ ]" 1 
       1297 1  72 ASP H    1  72 ASP HB2  . .  3.700 3.614 3.614 3.614     . 0 0 "[ ]" 1 
       1298 1  72 ASP H    1  72 ASP HB3  . .  3.600 2.899 2.899 2.899     . 0 0 "[ ]" 1 
       1299 1  72 ASP H    1  73 ASP H    . .  3.800 3.200 3.200 3.200     . 0 0 "[ ]" 1 
       1300 1  72 ASP H    1  73 ASP HB3  . .  6.000 4.814 4.814 4.814     . 0 0 "[ ]" 1 
       1301 1  72 ASP HA   1  73 ASP H    . .  3.800 2.672 2.672 2.672     . 0 0 "[ ]" 1 
       1302 1  72 ASP HB2  1  73 ASP H    . .  5.000 4.476 4.476 4.476     . 0 0 "[ ]" 1 
       1303 1  72 ASP HB3  1  73 ASP H    . .  5.900 4.660 4.660 4.660     . 0 0 "[ ]" 1 
       1304 1  73 ASP H    1  73 ASP HB2  . .  4.000 3.477 3.477 3.477     . 0 0 "[ ]" 1 
       1305 1  73 ASP H    1  73 ASP HB3  . .  4.000 3.234 3.234 3.234     . 0 0 "[ ]" 1 
       1306 1  73 ASP H    1  74 LEU H    . .  5.900 4.250 4.250 4.250     . 0 0 "[ ]" 1 
       1307 1  73 ASP HA   1  74 LEU H    . .  3.300 2.654 2.654 2.654     . 0 0 "[ ]" 1 
       1308 1  73 ASP HA   1  74 LEU HB2  . .  6.000 5.104 5.104 5.104     . 0 0 "[ ]" 1 
       1309 1  73 ASP HA   1  74 LEU HB3  . .  6.000 6.028 6.028 6.028 0.028 1 0 "[ ]" 1 
       1310 1  73 ASP HA   1  74 LEU MD2  . .  7.000 5.838 5.838 5.838     . 0 0 "[ ]" 1 
       1311 1  73 ASP HB2  1  74 LEU H    . .  4.500 3.816 3.816 3.816     . 0 0 "[ ]" 1 
       1312 1  73 ASP HB2  1  74 LEU MD1  . .  7.000 5.034 5.034 5.034     . 0 0 "[ ]" 1 
       1313 1  73 ASP HB2  1 100 THR HG1  . .  6.000 4.245 4.245 4.245     . 0 0 "[ ]" 1 
       1314 1  73 ASP HB3  1  74 LEU H    . .  4.800 3.161 3.161 3.161     . 0 0 "[ ]" 1 
       1315 1  74 LEU H    1  74 LEU HB2  . .  3.400 2.489 2.489 2.489     . 0 0 "[ ]" 1 
       1316 1  74 LEU H    1  74 LEU HB3  . .  4.000 3.650 3.650 3.650     . 0 0 "[ ]" 1 
       1317 1  74 LEU H    1  74 LEU MD1  . .  5.700 2.109 2.109 2.109     . 0 0 "[ ]" 1 
       1318 1  74 LEU H    1  74 LEU MD2  . .  5.400 4.203 4.203 4.203     . 0 0 "[ ]" 1 
       1319 1  74 LEU H    1  74 LEU HG   . .  4.300 3.349 3.349 3.349     . 0 0 "[ ]" 1 
       1320 1  74 LEU H    1  75 LEU H    . .  4.700 4.505 4.505 4.505     . 0 0 "[ ]" 1 
       1321 1  74 LEU HA   1  74 LEU MD1  . .  4.400 3.360 3.360 3.360     . 0 0 "[ ]" 1 
       1322 1  74 LEU HA   1  74 LEU MD2  . .  4.500 3.405 3.405 3.405     . 0 0 "[ ]" 1 
       1323 1  74 LEU HA   1  74 LEU HG   . .  4.200 2.282 2.282 2.282     . 0 0 "[ ]" 1 
       1324 1  74 LEU HA   1  75 LEU H    . .  3.300 2.111 2.111 2.111     . 0 0 "[ ]" 1 
       1325 1  74 LEU HA   1  75 LEU HB2  . .  4.600 4.244 4.244 4.244     . 0 0 "[ ]" 1 
       1326 1  74 LEU HA   1  75 LEU MD1  . .  7.000 4.556 4.556 4.556     . 0 0 "[ ]" 1 
       1327 1  74 LEU HA   1  75 LEU HG   . .  6.000 4.195 4.195 4.195     . 0 0 "[ ]" 1 
       1328 1  74 LEU HB2  1  75 LEU H    . .  4.100 4.316 4.316 4.316 0.216 1 0 "[ ]" 1 
       1329 1  74 LEU HB3  1  75 LEU H    . .  4.300 3.349 3.349 3.349     . 0 0 "[ ]" 1 
       1330 1  74 LEU MD1  1  75 LEU H    . .  6.700 5.046 5.046 5.046     . 0 0 "[ ]" 1 
       1331 1  74 LEU MD2  1  75 LEU H    . .  7.000 4.520 4.520 4.520     . 0 0 "[ ]" 1 
       1332 1  74 LEU HG   1  75 LEU H    . .  6.000 4.244 4.244 4.244     . 0 0 "[ ]" 1 
       1333 1  75 LEU H    1  75 LEU HB2  . .  3.600 2.235 2.235 2.235     . 0 0 "[ ]" 1 
       1334 1  75 LEU H    1  75 LEU MD1  . .  5.700 3.086 3.086 3.086     . 0 0 "[ ]" 1 
       1335 1  75 LEU H    1  75 LEU MD2  . .  5.200 3.858 3.858 3.858     . 0 0 "[ ]" 1 
       1336 1  75 LEU H    1  75 LEU HG   . .  4.500 2.479 2.479 2.479     . 0 0 "[ ]" 1 
       1337 1  75 LEU H    1  76 PRO HD2  . .  6.000 4.836 4.836 4.836     . 0 0 "[ ]" 1 
       1338 1  75 LEU H    1  76 PRO HD3  . .  6.000 5.217 5.217 5.217     . 0 0 "[ ]" 1 
       1339 1  75 LEU H    1  78 LEU H    . .  6.000 5.443 5.443 5.443     . 0 0 "[ ]" 1 
       1340 1  75 LEU H    1  78 LEU HA   . .  5.800 4.353 4.353 4.353     . 0 0 "[ ]" 1 
       1341 1  75 LEU HA   1  75 LEU MD2  . .  4.300 2.289 2.289 2.289     . 0 0 "[ ]" 1 
       1342 1  75 LEU HA   1  75 LEU HG   . .  4.500 2.623 2.623 2.623     . 0 0 "[ ]" 1 
       1343 1  75 LEU HA   1  76 PRO HD2  . .  4.900 2.513 2.513 2.513     . 0 0 "[ ]" 1 
       1344 1  75 LEU HA   1  76 PRO HD3  . .  4.500 2.518 2.518 2.518     . 0 0 "[ ]" 1 
       1345 1  75 LEU HA   1 100 THR HG1  . .  6.000 6.055 6.055 6.055 0.055 1 0 "[ ]" 1 
       1346 1  75 LEU HA   1 102 VAL MG1  . .  7.000 4.979 4.979 4.979     . 0 0 "[ ]" 1 
       1347 1  75 LEU HA   1 102 VAL MG2  . .  6.900 3.470 3.470 3.470     . 0 0 "[ ]" 1 
       1348 1  75 LEU HB2  1  76 PRO HD2  . .  5.900 3.779 3.779 3.779     . 0 0 "[ ]" 1 
       1349 1  75 LEU HB2  1  78 LEU HA   . .  4.100 2.758 2.758 2.758     . 0 0 "[ ]" 1 
       1350 1  75 LEU HB3  1  76 PRO HD2  . .  4.700 2.231 2.231 2.231     . 0 0 "[ ]" 1 
       1351 1  75 LEU HB3  1  76 PRO HD3  . .  6.000 3.691 3.691 3.691     . 0 0 "[ ]" 1 
       1352 1  75 LEU HB3  1  76 PRO HG3  . .  5.200 4.795 4.795 4.795     . 0 0 "[ ]" 1 
       1353 1  75 LEU HB3  1  79 PHE H    . .  6.000 3.129 3.129 3.129     . 0 0 "[ ]" 1 
       1354 1  75 LEU HB3  1  79 PHE HB2  . .  6.000 2.674 2.674 2.674     . 0 0 "[ ]" 1 
       1355 1  75 LEU HB3  1 102 VAL HB   . .  6.000 6.181 6.181 6.181 0.181 1 0 "[ ]" 1 
       1356 1  75 LEU HB3  1 102 VAL MG1  . .  7.000 5.153 5.153 5.153     . 0 0 "[ ]" 1 
       1357 1  75 LEU MD1  1  76 PRO HD2  . .  6.600 4.233 4.233 4.233     . 0 0 "[ ]" 1 
       1358 1  75 LEU MD1  1  76 PRO HD3  . .  7.000 5.386 5.386 5.386     . 0 0 "[ ]" 1 
       1359 1  75 LEU MD1  1  76 PRO HG3  . .  7.000 6.411 6.411 6.411     . 0 0 "[ ]" 1 
       1360 1  75 LEU MD1  1  79 PHE CG   . .  9.000 3.407 3.407 3.407     . 0 0 "[ ]" 1 
       1361 1  75 LEU MD1  1  79 PHE CZ   . .  9.000 5.013 5.013 5.013     . 0 0 "[ ]" 1 
       1362 1  75 LEU MD1  1  79 PHE HB2  . .  7.000 2.207 2.207 2.207     . 0 0 "[ ]" 1 
       1363 1  75 LEU MD1  1  79 PHE HB3  . .  7.000 2.250 2.250 2.250     . 0 0 "[ ]" 1 
       1364 1  75 LEU MD1  1 102 VAL HB   . .  6.300 6.262 6.262 6.262     . 0 0 "[ ]" 1 
       1365 1  75 LEU MD1  1 102 VAL MG1  . .  7.500 4.580 4.580 4.580     . 0 0 "[ ]" 1 
       1366 1  75 LEU MD2  1  76 PRO HD2  . .  5.200 2.385 2.385 2.385     . 0 0 "[ ]" 1 
       1367 1  75 LEU MD2  1  76 PRO HD3  . .  5.500 3.201 3.201 3.201     . 0 0 "[ ]" 1 
       1368 1  75 LEU MD2  1  76 PRO HG2  . .  7.000 4.181 4.181 4.181     . 0 0 "[ ]" 1 
       1369 1  75 LEU MD2  1  79 PHE CG   . .  9.000 3.670 3.670 3.670     . 0 0 "[ ]" 1 
       1370 1  75 LEU MD2  1  79 PHE CZ   . .  9.000 5.063 5.063 5.063     . 0 0 "[ ]" 1 
       1371 1  75 LEU MD2  1  79 PHE HB2  . .  7.000 2.240 2.240 2.240     . 0 0 "[ ]" 1 
       1372 1  75 LEU MD2  1  79 PHE HB3  . .  7.000 3.584 3.584 3.584     . 0 0 "[ ]" 1 
       1373 1  75 LEU MD2  1 100 THR HG1  . .  7.000 5.612 5.612 5.612     . 0 0 "[ ]" 1 
       1374 1  75 LEU MD2  1 102 VAL MG1  . .  8.000 2.642 2.642 2.642     . 0 0 "[ ]" 1 
       1375 1  75 LEU MD2  1 102 VAL MG2  . .  7.300 2.122 2.122 2.122     . 0 0 "[ ]" 1 
       1376 1  76 PRO HA   1  76 PRO HG2  . .  4.300 3.866 3.866 3.866     . 0 0 "[ ]" 1 
       1377 1  76 PRO HA   1  77 ASP H    . .  3.800 3.546 3.546 3.546     . 0 0 "[ ]" 1 
       1378 1  76 PRO HA   1  78 LEU H    . .  5.900 4.058 4.058 4.058     . 0 0 "[ ]" 1 
       1379 1  76 PRO HB2  1  77 ASP H    . .  4.800 2.063 2.063 2.063     . 0 0 "[ ]" 1 
       1380 1  76 PRO HB2  1  78 LEU H    . .  6.000 4.909 4.909 4.909     . 0 0 "[ ]" 1 
       1381 1  76 PRO HB2  1  79 PHE H    . .  5.700 5.137 5.137 5.137     . 0 0 "[ ]" 1 
       1382 1  76 PRO HB3  1  77 ASP H    . .  6.000 3.534 3.534 3.534     . 0 0 "[ ]" 1 
       1383 1  76 PRO HB3  1  78 LEU H    . .  6.000 5.639 5.639 5.639     . 0 0 "[ ]" 1 
       1384 1  76 PRO HD2  1  79 PHE CG   . .  8.000 5.802 5.802 5.802     . 0 0 "[ ]" 1 
       1385 1  76 PRO HD2  1  79 PHE HB3  . .  6.000 5.425 5.425 5.425     . 0 0 "[ ]" 1 
       1386 1  76 PRO HD2  1 102 VAL MG1  . .  6.500 4.345 4.345 4.345     . 0 0 "[ ]" 1 
       1387 1  76 PRO HD2  1 102 VAL MG2  . .  6.300 2.325 2.325 2.325     . 0 0 "[ ]" 1 
       1388 1  76 PRO HD3  1  77 ASP H    . .  6.000 4.585 4.585 4.585     . 0 0 "[ ]" 1 
       1389 1  76 PRO HD3  1  79 PHE H    . .  6.000 5.490 5.490 5.490     . 0 0 "[ ]" 1 
       1390 1  76 PRO HD3  1 102 VAL HB   . .  6.000 5.189 5.189 5.189     . 0 0 "[ ]" 1 
       1391 1  76 PRO HD3  1 102 VAL MG1  . .  7.000 4.747 4.747 4.747     . 0 0 "[ ]" 1 
       1392 1  76 PRO HD3  1 102 VAL MG2  . .  7.000 2.495 2.495 2.495     . 0 0 "[ ]" 1 
       1393 1  76 PRO HG2  1  77 ASP H    . .  6.000 2.179 2.179 2.179     . 0 0 "[ ]" 1 
       1394 1  76 PRO HG2  1  79 PHE H    . .  6.000 3.598 3.598 3.598     . 0 0 "[ ]" 1 
       1395 1  76 PRO HG2  1  85 ILE MD   . .  7.000 5.859 5.859 5.859     . 0 0 "[ ]" 1 
       1396 1  76 PRO HG2  1 102 VAL MG1  . .  7.000 5.501 5.501 5.501     . 0 0 "[ ]" 1 
       1397 1  76 PRO HG2  1 102 VAL MG2  . .  7.000 3.083 3.083 3.083     . 0 0 "[ ]" 1 
       1398 1  76 PRO HG2  1 104 ALA MB   . .  6.800 3.876 3.876 3.876     . 0 0 "[ ]" 1 
       1399 1  76 PRO HG3  1  77 ASP H    . .  6.000 3.578 3.578 3.578     . 0 0 "[ ]" 1 
       1400 1  76 PRO HG3  1  79 PHE H    . .  6.000 5.314 5.314 5.314     . 0 0 "[ ]" 1 
       1401 1  76 PRO HG3  1  85 ILE MD   . .  7.000 5.857 5.857 5.857     . 0 0 "[ ]" 1 
       1402 1  76 PRO HG3  1 102 VAL HB   . .  6.000 4.434 4.434 4.434     . 0 0 "[ ]" 1 
       1403 1  76 PRO HG3  1 102 VAL MG1  . .  7.000 5.006 5.006 5.006     . 0 0 "[ ]" 1 
       1404 1  76 PRO HG3  1 104 ALA MB   . .  7.000 4.177 4.177 4.177     . 0 0 "[ ]" 1 
       1405 1  77 ASP H    1  77 ASP HB3  . .  4.100 3.504 3.504 3.504     . 0 0 "[ ]" 1 
       1406 1  77 ASP H    1  78 LEU H    . .  4.100 3.522 3.522 3.522     . 0 0 "[ ]" 1 
       1407 1  77 ASP H    1  78 LEU HB3  . .  6.000 6.167 6.167 6.167 0.167 1 0 "[ ]" 1 
       1408 1  77 ASP H    1  79 PHE H    . .  6.000 3.336 3.336 3.336     . 0 0 "[ ]" 1 
       1409 1  77 ASP HA   1  78 LEU H    . .  4.300 2.773 2.773 2.773     . 0 0 "[ ]" 1 
       1410 1  77 ASP HA   1  79 PHE H    . .  5.100 4.124 4.124 4.124     . 0 0 "[ ]" 1 
       1411 1  77 ASP HA   1  80 ARG H    . .  6.000 5.313 5.313 5.313     . 0 0 "[ ]" 1 
       1412 1  77 ASP HA   1  80 ARG HD2  . .  6.000 4.768 4.768 4.768     . 0 0 "[ ]" 1 
       1413 1  77 ASP HA   1  80 ARG HG2  . .  6.000 5.786 5.786 5.786     . 0 0 "[ ]" 1 
       1414 1  77 ASP HB3  1  78 LEU H    . .  4.900 4.518 4.518 4.518     . 0 0 "[ ]" 1 
       1415 1  77 ASP HB3  1  78 LEU HB3  . .  6.000 5.704 5.704 5.704     . 0 0 "[ ]" 1 
       1416 1  77 ASP HB3  1  78 LEU MD1  . .  6.300 6.117 6.117 6.117     . 0 0 "[ ]" 1 
       1417 1  77 ASP HB3  1  79 PHE H    . .  5.600 4.342 4.342 4.342     . 0 0 "[ ]" 1 
       1418 1  77 ASP HB3  1  80 ARG HA   . .  6.000 5.525 5.525 5.525     . 0 0 "[ ]" 1 
       1419 1  77 ASP HB3  1  80 ARG HD3  . .  6.000 2.999 2.999 2.999     . 0 0 "[ ]" 1 
       1420 1  78 LEU H    1  78 LEU HB3  . .  4.200 2.918 2.918 2.918     . 0 0 "[ ]" 1 
       1421 1  78 LEU H    1  78 LEU MD1  . .  5.500 4.875 4.875 4.875     . 0 0 "[ ]" 1 
       1422 1  78 LEU H    1  78 LEU MD2  . .  5.800 3.816 3.816 3.816     . 0 0 "[ ]" 1 
       1423 1  78 LEU H    1  78 LEU HG   . .  5.700 4.192 4.192 4.192     . 0 0 "[ ]" 1 
       1424 1  78 LEU H    1  79 PHE H    . .  3.600 2.957 2.957 2.957     . 0 0 "[ ]" 1 
       1425 1  78 LEU H    1  80 ARG H    . .  6.000 5.417 5.417 5.417     . 0 0 "[ ]" 1 
       1426 1  78 LEU HA   1  78 LEU MD1  . .  3.900 3.742 3.742 3.742     . 0 0 "[ ]" 1 
       1427 1  78 LEU HA   1  78 LEU HG   . .  4.000 3.656 3.656 3.656     . 0 0 "[ ]" 1 
       1428 1  78 LEU HA   1  79 PHE H    . .  4.300 3.117 3.117 3.117     . 0 0 "[ ]" 1 
       1429 1  78 LEU HA   1  80 ARG H    . .  6.000 5.665 5.665 5.665     . 0 0 "[ ]" 1 
       1430 1  78 LEU HB3  1  79 PHE H    . .  4.700 4.538 4.538 4.538     . 0 0 "[ ]" 1 
       1431 1  78 LEU MD1  1  79 PHE H    . .  7.000 4.717 4.717 4.717     . 0 0 "[ ]" 1 
       1432 1  78 LEU MD1  1  80 ARG QB   . .  7.000 5.434 5.434 5.434     . 0 0 "[ ]" 1 
       1433 1  78 LEU MD2  1  79 PHE CG   . .  9.000 7.195 7.195 7.195     . 0 0 "[ ]" 1 
       1434 1  78 LEU MD2  1  79 PHE H    . .  6.500 4.530 4.530 4.530     . 0 0 "[ ]" 1 
       1435 1  78 LEU MD2  1  80 ARG HD2  . .  6.500 4.527 4.527 4.527     . 0 0 "[ ]" 1 
       1436 1  78 LEU HG   1  79 PHE H    . .  6.000 3.677 3.677 3.677     . 0 0 "[ ]" 1 
       1437 1  78 LEU HG   1  80 ARG H    . .  6.000 3.930 3.930 3.930     . 0 0 "[ ]" 1 
       1438 1  78 LEU HG   1  80 ARG HA   . .  6.000 3.564 3.564 3.564     . 0 0 "[ ]" 1 
       1439 1  78 LEU HG   1  80 ARG QB   . .  6.000 4.997 4.997 4.997     . 0 0 "[ ]" 1 
       1440 1  78 LEU HG   1  80 ARG HG3  . .  6.000 3.660 3.660 3.660     . 0 0 "[ ]" 1 
       1441 1  79 PHE CG   1  80 ARG H    . .  8.000 4.578 4.578 4.578     . 0 0 "[ ]" 1 
       1442 1  79 PHE CG   1  85 ILE MD   . .  7.700 4.403 4.403 4.403     . 0 0 "[ ]" 1 
       1443 1  79 PHE CG   1  85 ILE HG13 . .  8.000 6.553 6.553 6.553     . 0 0 "[ ]" 1 
       1444 1  79 PHE CG   1 102 VAL MG1  . .  8.900 5.466 5.466 5.466     . 0 0 "[ ]" 1 
       1445 1  79 PHE CG   1 102 VAL MG2  . .  9.000 5.323 5.323 5.323     . 0 0 "[ ]" 1 
       1446 1  79 PHE CZ   1  85 ILE MD   . .  9.000 3.871 3.871 3.871     . 0 0 "[ ]" 1 
       1447 1  79 PHE CZ   1  85 ILE HG13 . .  8.000 5.158 5.158 5.158     . 0 0 "[ ]" 1 
       1448 1  79 PHE CZ   1  85 ILE MG   . .  9.000 4.615 4.615 4.615     . 0 0 "[ ]" 1 
       1449 1  79 PHE CZ   1 102 VAL MG1  . .  9.000 5.687 5.687 5.687     . 0 0 "[ ]" 1 
       1450 1  79 PHE H    1  79 PHE HB2  . .  4.000 3.163 3.163 3.163     . 0 0 "[ ]" 1 
       1451 1  79 PHE H    1  79 PHE HB3  . .  3.800 3.578 3.578 3.578     . 0 0 "[ ]" 1 
       1452 1  79 PHE H    1  80 ARG H    . .  3.500 3.002 3.002 3.002     . 0 0 "[ ]" 1 
       1453 1  79 PHE H    1  80 ARG HD3  . .  6.000 5.738 5.738 5.738     . 0 0 "[ ]" 1 
       1454 1  79 PHE HA   1  80 ARG H    . .  3.600 2.314 2.314 2.314     . 0 0 "[ ]" 1 
       1455 1  79 PHE HA   1  85 ILE MG   . .  7.000 4.214 4.214 4.214     . 0 0 "[ ]" 1 
       1456 1  79 PHE HA   1 104 ALA MB   . .  7.000 4.538 4.538 4.538     . 0 0 "[ ]" 1 
       1457 1  79 PHE HB2  1  80 ARG H    . .  6.000 4.559 4.559 4.559     . 0 0 "[ ]" 1 
       1458 1  79 PHE HB2  1  85 ILE MG   . .  7.000 5.210 5.210 5.210     . 0 0 "[ ]" 1 
       1459 1  79 PHE HB2  1 102 VAL MG1  . .  7.000 4.902 4.902 4.902     . 0 0 "[ ]" 1 
       1460 1  79 PHE HB3  1  80 ARG H    . .  5.800 4.555 4.555 4.555     . 0 0 "[ ]" 1 
       1461 1  79 PHE HZ   1  85 ILE HG13 . .  6.000 4.965 4.965 4.965     . 0 0 "[ ]" 1 
       1462 1  80 ARG H    1  80 ARG HD2  . .  6.000 4.361 4.361 4.361     . 0 0 "[ ]" 1 
       1463 1  80 ARG H    1  80 ARG HD3  . .  6.000 3.596 3.596 3.596     . 0 0 "[ ]" 1 
       1464 1  80 ARG H    1  80 ARG HG2  . .  4.500 3.557 3.557 3.557     . 0 0 "[ ]" 1 
       1465 1  80 ARG H    1  80 ARG HG3  . .  4.400 2.196 2.196 2.196     . 0 0 "[ ]" 1 
       1466 1  80 ARG H    1  81 GLU H    . .  6.000 4.510 4.510 4.510     . 0 0 "[ ]" 1 
       1467 1  80 ARG HA   1  80 ARG HD2  . .  4.900 4.859 4.859 4.859     . 0 0 "[ ]" 1 
       1468 1  80 ARG HA   1  80 ARG HG2  . .  4.500 2.608 2.608 2.608     . 0 0 "[ ]" 1 
       1469 1  80 ARG HA   1  81 GLU H    . .  3.400 2.214 2.214 2.214     . 0 0 "[ ]" 1 
       1470 1  80 ARG QB   1  81 GLU H    . .  4.700 3.501 3.501 3.501     . 0 0 "[ ]" 1 
       1471 1  80 ARG QB   1  83 GLN H    . .  6.000 5.858 5.858 5.858     . 0 0 "[ ]" 1 
       1472 1  80 ARG QB   1  83 GLN HE21 . .  6.000 2.818 2.818 2.818     . 0 0 "[ ]" 1 
       1473 1  80 ARG QB   1  83 GLN HE22 . .  6.000 2.355 2.355 2.355     . 0 0 "[ ]" 1 
       1474 1  80 ARG QB   1  83 GLN QG   . .  7.000 3.738 3.738 3.738     . 0 0 "[ ]" 1 
       1475 1  80 ARG HG2  1  81 GLU H    . .  6.000 4.602 4.602 4.602     . 0 0 "[ ]" 1 
       1476 1  80 ARG HG2  1  83 GLN HE22 . .  6.000 4.939 4.939 4.939     . 0 0 "[ ]" 1 
       1477 1  80 ARG HG3  1  81 GLU H    . .  6.000 5.050 5.050 5.050     . 0 0 "[ ]" 1 
       1478 1  80 ARG HG3  1  83 GLN HE21 . .  6.000 5.606 5.606 5.606     . 0 0 "[ ]" 1 
       1479 1  80 ARG HG3  1  83 GLN HE22 . .  6.000 4.710 4.710 4.710     . 0 0 "[ ]" 1 
       1480 1  81 GLU H    1  81 GLU HB2  . .  4.300 2.593 2.593 2.593     . 0 0 "[ ]" 1 
       1481 1  81 GLU H    1  81 GLU HB3  . .  3.900 3.545 3.545 3.545     . 0 0 "[ ]" 1 
       1482 1  81 GLU H    1  81 GLU HG2  . .  3.700 3.677 3.677 3.677     . 0 0 "[ ]" 1 
       1483 1  81 GLU H    1  81 GLU HG3  . .  4.800 2.762 2.762 2.762     . 0 0 "[ ]" 1 
       1484 1  81 GLU H    1  82 GLY H    . .  5.900 4.623 4.623 4.623     . 0 0 "[ ]" 1 
       1485 1  81 GLU HA   1  82 GLY H    . .  3.300 2.489 2.489 2.489     . 0 0 "[ ]" 1 
       1486 1  81 GLU HA   1  83 GLN H    . .  5.300 3.888 3.888 3.888     . 0 0 "[ ]" 1 
       1487 1  81 GLU HB2  1  82 GLY H    . .  4.600 3.398 3.398 3.398     . 0 0 "[ ]" 1 
       1488 1  81 GLU HB2  1  83 GLN H    . .  6.000 5.777 5.777 5.777     . 0 0 "[ ]" 1 
       1489 1  81 GLU HB3  1  82 GLY H    . .  4.100 2.370 2.370 2.370     . 0 0 "[ ]" 1 
       1490 1  81 GLU HG3  1  82 GLY H    . .  5.900 4.400 4.400 4.400     . 0 0 "[ ]" 1 
       1491 1  82 GLY H    1  83 GLN H    . .  3.700 2.796 2.796 2.796     . 0 0 "[ ]" 1 
       1492 1  82 GLY HA2  1  83 GLN H    . .  4.400 2.766 2.766 2.766     . 0 0 "[ ]" 1 
       1493 1  82 GLY HA3  1  83 GLN H    . .  4.800 3.608 3.608 3.608     . 0 0 "[ ]" 1 
       1494 1  83 GLN H    1  83 GLN HB2  . .  3.900 3.934 3.934 3.934 0.034 1 0 "[ ]" 1 
       1495 1  83 GLN H    1  83 GLN HB3  . .  4.000 3.406 3.406 3.406     . 0 0 "[ ]" 1 
       1496 1  83 GLN H    1  83 GLN HE21 . .  4.600 4.647 4.647 4.647 0.047 1 0 "[ ]" 1 
       1497 1  83 GLN H    1  83 GLN HE22 . .  6.000 6.033 6.033 6.033 0.033 1 0 "[ ]" 1 
       1498 1  83 GLN H    1  84 GLY H    . .  5.900 4.279 4.279 4.279     . 0 0 "[ ]" 1 
       1499 1  83 GLN H    1 106 HIS QB   . .  6.000 6.155 6.155 6.155 0.155 1 0 "[ ]" 1 
       1500 1  83 GLN HA   1  84 GLY H    . .  3.600 2.643 2.643 2.643     . 0 0 "[ ]" 1 
       1501 1  83 GLN HB2  1  83 GLN HE21 . .  4.400 3.219 3.219 3.219     . 0 0 "[ ]" 1 
       1502 1  83 GLN HB2  1  83 GLN HE22 . .  5.600 4.001 4.001 4.001     . 0 0 "[ ]" 1 
       1503 1  83 GLN HB2  1  84 GLY H    . .  3.900 2.220 2.220 2.220     . 0 0 "[ ]" 1 
       1504 1  83 GLN HB3  1  84 GLY H    . .  4.500 3.697 3.697 3.697     . 0 0 "[ ]" 1 
       1505 1  83 GLN HE21 1  84 GLY H    . .  6.000 5.368 5.368 5.368     . 0 0 "[ ]" 1 
       1506 1  83 GLN HE22 1 104 ALA MB   . .  7.000 4.141 4.141 4.141     . 0 0 "[ ]" 1 
       1507 1  83 GLN QG   1  84 GLY H    . .  7.000 3.128 3.128 3.128     . 0 0 "[ ]" 1 
       1508 1  83 GLN QG   1  85 ILE MD   . .  8.000 5.156 5.156 5.156     . 0 0 "[ ]" 1 
       1509 1  84 GLY H    1  85 ILE H    . .  4.600 4.559 4.559 4.559     . 0 0 "[ ]" 1 
       1510 1  84 GLY HA2  1  85 ILE H    . .  3.500 2.285 2.285 2.285     . 0 0 "[ ]" 1 
       1511 1  84 GLY HA2  1  85 ILE MG   . .  7.000 3.871 3.871 3.871     . 0 0 "[ ]" 1 
       1512 1  84 GLY HA3  1  85 ILE H    . .  3.700 2.997 2.997 2.997     . 0 0 "[ ]" 1 
       1513 1  85 ILE H    1  85 ILE MD   . .  5.400 4.167 4.167 4.167     . 0 0 "[ ]" 1 
       1514 1  85 ILE H    1  85 ILE HG12 . .  3.900 3.639 3.639 3.639     . 0 0 "[ ]" 1 
       1515 1  85 ILE H    1  85 ILE HG13 . .  4.500 2.646 2.646 2.646     . 0 0 "[ ]" 1 
       1516 1  85 ILE H    1  85 ILE MG   . .  4.700 3.313 3.313 3.313     . 0 0 "[ ]" 1 
       1517 1  85 ILE H    1  86 VAL H    . .  5.500 4.372 4.372 4.372     . 0 0 "[ ]" 1 
       1518 1  85 ILE HA   1  85 ILE MD   . .  4.700 3.839 3.839 3.839     . 0 0 "[ ]" 1 
       1519 1  85 ILE HA   1  85 ILE HG12 . .  4.300 4.138 4.138 4.138     . 0 0 "[ ]" 1 
       1520 1  85 ILE HA   1  85 ILE MG   . .  3.700 2.416 2.416 2.416     . 0 0 "[ ]" 1 
       1521 1  85 ILE HA   1  86 VAL H    . .  3.300 2.426 2.426 2.426     . 0 0 "[ ]" 1 
       1522 1  85 ILE HA   1 102 VAL HB   . .  6.000 6.048 6.048 6.048 0.048 1 0 "[ ]" 1 
       1523 1  85 ILE HA   1 103 LEU H    . .  6.000 5.375 5.375 5.375     . 0 0 "[ ]" 1 
       1524 1  85 ILE HA   1 104 ALA HA   . .  3.400 3.108 3.108 3.108     . 0 0 "[ ]" 1 
       1525 1  85 ILE HA   1 104 ALA MB   . .  7.000 4.471 4.471 4.471     . 0 0 "[ ]" 1 
       1526 1  85 ILE HA   1 105 LYS H    . .  4.200 3.820 3.820 3.820     . 0 0 "[ ]" 1 
       1527 1  85 ILE HB   1  86 VAL H    . .  3.500 2.329 2.329 2.329     . 0 0 "[ ]" 1 
       1528 1  85 ILE HB   1 103 LEU H    . .  6.000 4.139 4.139 4.139     . 0 0 "[ ]" 1 
       1529 1  85 ILE HB   1 104 ALA HA   . .  6.000 3.045 3.045 3.045     . 0 0 "[ ]" 1 
       1530 1  85 ILE HB   1 104 ALA MB   . .  7.000 3.962 3.962 3.962     . 0 0 "[ ]" 1 
       1531 1  85 ILE MD   1  86 VAL H    . .  5.100 3.033 3.033 3.033     . 0 0 "[ ]" 1 
       1532 1  85 ILE MD   1  87 ALA H    . .  7.000 3.713 3.713 3.713     . 0 0 "[ ]" 1 
       1533 1  85 ILE MD   1  87 ALA MB   . .  6.200 2.108 2.108 2.108     . 0 0 "[ ]" 1 
       1534 1  85 ILE MD   1 102 VAL MG2  . .  7.100 3.628 3.628 3.628     . 0 0 "[ ]" 1 
       1535 1  85 ILE MD   1 104 ALA HA   . .  7.000 4.473 4.473 4.473     . 0 0 "[ ]" 1 
       1536 1  85 ILE MD   1 104 ALA MB   . .  6.500 4.490 4.490 4.490     . 0 0 "[ ]" 1 
       1537 1  85 ILE HG12 1  85 ILE MG   . .  3.600 2.158 2.158 2.158     . 0 0 "[ ]" 1 
       1538 1  85 ILE HG12 1  86 VAL H    . .  5.000 4.816 4.816 4.816     . 0 0 "[ ]" 1 
       1539 1  85 ILE HG13 1  86 VAL H    . .  5.800 3.943 3.943 3.943     . 0 0 "[ ]" 1 
       1540 1  85 ILE MG   1  86 VAL H    . .  5.500 3.741 3.741 3.741     . 0 0 "[ ]" 1 
       1541 1  85 ILE MG   1 104 ALA HA   . .  5.700 2.370 2.370 2.370     . 0 0 "[ ]" 1 
       1542 1  85 ILE MG   1 104 ALA MB   . .  6.200 2.746 2.746 2.746     . 0 0 "[ ]" 1 
       1543 1  85 ILE MG   1 105 LYS H    . .  7.000 4.387 4.387 4.387     . 0 0 "[ ]" 1 
       1544 1  86 VAL H    1  87 ALA H    . .  5.400 4.318 4.318 4.318     . 0 0 "[ ]" 1 
       1545 1  86 VAL H    1 103 LEU H    . .  3.400 3.265 3.265 3.265     . 0 0 "[ ]" 1 
       1546 1  86 VAL H    1 103 LEU HB2  . .  5.500 4.013 4.013 4.013     . 0 0 "[ ]" 1 
       1547 1  86 VAL H    1 104 ALA HA   . .  3.800 3.706 3.706 3.706     . 0 0 "[ ]" 1 
       1548 1  86 VAL H    1 104 ALA MB   . .  7.000 5.022 5.022 5.022     . 0 0 "[ ]" 1 
       1549 1  86 VAL H    1 105 LYS H    . .  5.600 3.663 3.663 3.663     . 0 0 "[ ]" 1 
       1550 1  86 VAL H    1 105 LYS QG   . .  7.000 3.972 3.972 3.972     . 0 0 "[ ]" 1 
       1551 1  86 VAL HA   1  87 ALA H    . .  3.100 2.141 2.141 2.141     . 0 0 "[ ]" 1 
       1552 1  86 VAL HB   1  87 ALA H    . .  4.300 3.120 3.120 3.120     . 0 0 "[ ]" 1 
       1553 1  86 VAL HB   1 103 LEU H    . .  6.000 4.691 4.691 4.691     . 0 0 "[ ]" 1 
       1554 1  86 VAL MG1  1  87 ALA H    . .  6.100 3.849 3.849 3.849     . 0 0 "[ ]" 1 
       1555 1  86 VAL MG1  1 105 LYS QE   . .  8.000 2.194 2.194 2.194     . 0 0 "[ ]" 1 
       1556 1  86 VAL MG2  1  87 ALA H    . .  5.000 4.023 4.023 4.023     . 0 0 "[ ]" 1 
       1557 1  86 VAL MG2  1 103 LEU H    . .  7.000 2.683 2.683 2.683     . 0 0 "[ ]" 1 
       1558 1  86 VAL MG2  1 103 LEU HB3  . .  5.600 3.474 3.474 3.474     . 0 0 "[ ]" 1 
       1559 1  86 VAL MG2  1 103 LEU MD2  . .  7.900 2.273 2.273 2.273     . 0 0 "[ ]" 1 
       1560 1  86 VAL MG2  1 105 LYS QD   . .  6.600 2.644 2.644 2.644     . 0 0 "[ ]" 1 
       1561 1  86 VAL MG2  1 105 LYS QE   . .  8.000 2.600 2.600 2.600     . 0 0 "[ ]" 1 
       1562 1  87 ALA H    1  87 ALA MB   . .  3.400 2.491 2.491 2.491     . 0 0 "[ ]" 1 
       1563 1  87 ALA H    1  88 GLN H    . .  6.000 4.272 4.272 4.272     . 0 0 "[ ]" 1 
       1564 1  87 ALA HA   1  88 GLN H    . .  3.200 2.171 2.171 2.171     . 0 0 "[ ]" 1 
       1565 1  87 ALA HA   1 102 VAL HA   . .  3.100 2.087 2.087 2.087     . 0 0 "[ ]" 1 
       1566 1  87 ALA HA   1 102 VAL MG1  . .  7.000 2.323 2.323 2.323     . 0 0 "[ ]" 1 
       1567 1  87 ALA HA   1 102 VAL MG2  . .  7.000 4.553 4.553 4.553     . 0 0 "[ ]" 1 
       1568 1  87 ALA HA   1 103 LEU H    . .  3.500 3.481 3.481 3.481     . 0 0 "[ ]" 1 
       1569 1  87 ALA MB   1  88 GLN H    . .  4.000 3.300 3.300 3.300     . 0 0 "[ ]" 1 
       1570 1  87 ALA MB   1  99 ALA MB   . .  6.600 2.258 2.258 2.258     . 0 0 "[ ]" 1 
       1571 1  87 ALA MB   1 101 GLU H    . .  7.000 5.298 5.298 5.298     . 0 0 "[ ]" 1 
       1572 1  87 ALA MB   1 102 VAL HA   . .  6.700 3.439 3.439 3.439     . 0 0 "[ ]" 1 
       1573 1  87 ALA MB   1 102 VAL HB   . .  4.700 3.670 3.670 3.670     . 0 0 "[ ]" 1 
       1574 1  87 ALA MB   1 102 VAL MG1  . .  5.800 1.988 1.988 1.988     . 0 0 "[ ]" 1 
       1575 1  87 ALA MB   1 102 VAL MG2  . .  6.400 4.350 4.350 4.350     . 0 0 "[ ]" 1 
       1576 1  87 ALA MB   1 103 LEU MD2  . .  6.200 4.988 4.988 4.988     . 0 0 "[ ]" 1 
       1577 1  88 GLN H    1  88 GLN HB2  . .  4.100 3.046 3.046 3.046     . 0 0 "[ ]" 1 
       1578 1  88 GLN H    1  88 GLN HB3  . .  3.900 2.320 2.320 2.320     . 0 0 "[ ]" 1 
       1579 1  88 GLN H    1  88 GLN HE21 . .  6.000 4.110 4.110 4.110     . 0 0 "[ ]" 1 
       1580 1  88 GLN H    1  99 ALA MB   . .  7.000 3.407 3.407 3.407     . 0 0 "[ ]" 1 
       1581 1  88 GLN H    1 100 THR H    . .  6.000 3.843 3.843 3.843     . 0 0 "[ ]" 1 
       1582 1  88 GLN H    1 101 GLU H    . .  3.400 3.464 3.464 3.464 0.064 1 0 "[ ]" 1 
       1583 1  88 GLN H    1 101 GLU HB2  . .  6.000 3.369 3.369 3.369     . 0 0 "[ ]" 1 
       1584 1  88 GLN H    1 101 GLU HB3  . .  6.000 4.060 4.060 4.060     . 0 0 "[ ]" 1 
       1585 1  88 GLN H    1 102 VAL HA   . .  3.600 3.068 3.068 3.068     . 0 0 "[ ]" 1 
       1586 1  88 GLN HA   1  88 GLN HG2  . .  4.300 3.200 3.200 3.200     . 0 0 "[ ]" 1 
       1587 1  88 GLN HA   1  88 GLN HG3  . .  4.400 2.720 2.720 2.720     . 0 0 "[ ]" 1 
       1588 1  88 GLN HA   1  89 GLY H    . .  3.200 2.142 2.142 2.142     . 0 0 "[ ]" 1 
       1589 1  88 GLN HB2  1  88 GLN HE21 . .  4.600 2.493 2.493 2.493     . 0 0 "[ ]" 1 
       1590 1  88 GLN HB2  1  88 GLN HE22 . .  4.500 3.970 3.970 3.970     . 0 0 "[ ]" 1 
       1591 1  88 GLN HB2  1  89 GLY H    . .  4.500 3.963 3.963 3.963     . 0 0 "[ ]" 1 
       1592 1  88 GLN HB2  1 101 GLU H    . .  6.000 5.179 5.179 5.179     . 0 0 "[ ]" 1 
       1593 1  88 GLN HB3  1  88 GLN HE21 . .  4.600 1.945 1.945 1.945     . 0 0 "[ ]" 1 
       1594 1  88 GLN HB3  1  88 GLN HE22 . .  4.600 3.377 3.377 3.377     . 0 0 "[ ]" 1 
       1595 1  88 GLN HB3  1  89 GLY H    . .  5.000 4.046 4.046 4.046     . 0 0 "[ ]" 1 
       1596 1  88 GLN HB3  1 100 THR H    . .  6.000 4.677 4.677 4.677     . 0 0 "[ ]" 1 
       1597 1  88 GLN HB3  1 101 GLU H    . .  6.000 3.567 3.567 3.567     . 0 0 "[ ]" 1 
       1598 1  88 GLN HE21 1 101 GLU HB2  . .  6.000 2.745 2.745 2.745     . 0 0 "[ ]" 1 
       1599 1  88 GLN HE21 1 101 GLU HG2  . .  6.000 4.528 4.528 4.528     . 0 0 "[ ]" 1 
       1600 1  88 GLN HE21 1 101 GLU HG3  . .  6.000 4.758 4.758 4.758     . 0 0 "[ ]" 1 
       1601 1  88 GLN HE22 1 101 GLU H    . .  6.000 5.525 5.525 5.525     . 0 0 "[ ]" 1 
       1602 1  88 GLN HE22 1 101 GLU HB2  . .  6.000 3.327 3.327 3.327     . 0 0 "[ ]" 1 
       1603 1  88 GLN HE22 1 101 GLU HB3  . .  6.000 3.037 3.037 3.037     . 0 0 "[ ]" 1 
       1604 1  88 GLN HE22 1 101 GLU HG2  . .  6.000 4.150 4.150 4.150     . 0 0 "[ ]" 1 
       1605 1  88 GLN HE22 1 101 GLU HG3  . .  6.000 4.521 4.521 4.521     . 0 0 "[ ]" 1 
       1606 1  88 GLN HG2  1  89 GLY H    . .  5.900 2.751 2.751 2.751     . 0 0 "[ ]" 1 
       1607 1  88 GLN HG3  1  89 GLY H    . .  5.800 2.702 2.702 2.702     . 0 0 "[ ]" 1 
       1608 1  89 GLY H    1  90 VAL H    . .  4.400 3.878 3.878 3.878     . 0 0 "[ ]" 1 
       1609 1  89 GLY H    1  97 LEU QD   . .  6.900 5.147 5.147 5.147     . 0 0 "[ ]" 1 
       1610 1  89 GLY HA2  1  90 VAL H    . .  3.800 3.301 3.301 3.301     . 0 0 "[ ]" 1 
       1611 1  89 GLY HA2  1  91 LEU MD2  . .  7.000 6.518 6.518 6.518     . 0 0 "[ ]" 1 
       1612 1  89 GLY HA2  1  99 ALA HA   . .  4.600 3.677 3.677 3.677     . 0 0 "[ ]" 1 
       1613 1  89 GLY HA2  1  99 ALA MB   . .  7.000 4.803 4.803 4.803     . 0 0 "[ ]" 1 
       1614 1  89 GLY HA2  1 100 THR H    . .  3.800 3.769 3.769 3.769     . 0 0 "[ ]" 1 
       1615 1  89 GLY HA3  1  90 VAL H    . .  3.400 2.230 2.230 2.230     . 0 0 "[ ]" 1 
       1616 1  89 GLY HA3  1  91 LEU MD2  . .  7.000 6.017 6.017 6.017     . 0 0 "[ ]" 1 
       1617 1  89 GLY HA3  1  99 ALA HA   . .  4.400 2.080 2.080 2.080     . 0 0 "[ ]" 1 
       1618 1  89 GLY HA3  1  99 ALA MB   . .  7.000 3.646 3.646 3.646     . 0 0 "[ ]" 1 
       1619 1  89 GLY HA3  1 100 THR H    . .  4.700 3.012 3.012 3.012     . 0 0 "[ ]" 1 
       1620 1  90 VAL H    1  90 VAL HB   . .  3.700 3.262 3.262 3.262     . 0 0 "[ ]" 1 
       1621 1  90 VAL H    1  90 VAL MG2  . .  4.000 3.983 3.983 3.983     . 0 0 "[ ]" 1 
       1622 1  90 VAL H    1  91 LEU H    . .  4.700 4.372 4.372 4.372     . 0 0 "[ ]" 1 
       1623 1  90 VAL H    1  91 LEU MD2  . .  7.000 4.726 4.726 4.726     . 0 0 "[ ]" 1 
       1624 1  90 VAL H    1  97 LEU QD   . .  7.000 5.131 5.131 5.131     . 0 0 "[ ]" 1 
       1625 1  90 VAL H    1  98 ALA H    . .  3.500 3.369 3.369 3.369     . 0 0 "[ ]" 1 
       1626 1  90 VAL H    1  99 ALA HA   . .  3.600 3.340 3.340 3.340     . 0 0 "[ ]" 1 
       1627 1  90 VAL H    1  99 ALA MB   . .  5.300 4.448 4.448 4.448     . 0 0 "[ ]" 1 
       1628 1  90 VAL H    1 100 THR MG   . .  7.000 4.765 4.765 4.765     . 0 0 "[ ]" 1 
       1629 1  90 VAL HA   1  91 LEU H    . .  3.100 2.217 2.217 2.217     . 0 0 "[ ]" 1 
       1630 1  90 VAL HB   1  91 LEU H    . .  4.700 4.068 4.068 4.068     . 0 0 "[ ]" 1 
       1631 1  90 VAL MG1  1  91 LEU H    . .  4.700 3.837 3.837 3.837     . 0 0 "[ ]" 1 
       1632 1  90 VAL MG1  1  98 ALA H    . .  6.800 3.545 3.545 3.545     . 0 0 "[ ]" 1 
       1633 1  90 VAL MG2  1  91 LEU H    . .  6.100 2.407 2.407 2.407     . 0 0 "[ ]" 1 
       1634 1  90 VAL MG2  1  98 ALA MB   . .  7.200 4.209 4.209 4.209     . 0 0 "[ ]" 1 
       1635 1  91 LEU H    1  91 LEU HB2  . .  3.500 2.220 2.220 2.220     . 0 0 "[ ]" 1 
       1636 1  91 LEU H    1  91 LEU HB3  . .  4.200 3.507 3.507 3.507     . 0 0 "[ ]" 1 
       1637 1  91 LEU H    1  91 LEU MD1  . .  5.600 3.970 3.970 3.970     . 0 0 "[ ]" 1 
       1638 1  91 LEU H    1  91 LEU MD2  . .  4.900 2.288 2.288 2.288     . 0 0 "[ ]" 1 
       1639 1  91 LEU H    1  91 LEU HG   . .  4.900 3.752 3.752 3.752     . 0 0 "[ ]" 1 
       1640 1  91 LEU H    1  92 GLY H    . .  4.900 4.535 4.535 4.535     . 0 0 "[ ]" 1 
       1641 1  91 LEU HA   1  91 LEU MD1  . .  4.600 2.136 2.136 2.136     . 0 0 "[ ]" 1 
       1642 1  91 LEU HA   1  91 LEU MD2  . .  4.300 2.284 2.284 2.284     . 0 0 "[ ]" 1 
       1643 1  91 LEU HA   1  91 LEU HG   . .  4.300 3.746 3.746 3.746     . 0 0 "[ ]" 1 
       1644 1  91 LEU HA   1  92 GLY H    . .  3.200 2.200 2.200 2.200     . 0 0 "[ ]" 1 
       1645 1  91 LEU HA   1  97 LEU HA   . .  3.200 2.446 2.446 2.446     . 0 0 "[ ]" 1 
       1646 1  91 LEU HA   1  97 LEU QD   . .  6.300 2.866 2.866 2.866     . 0 0 "[ ]" 1 
       1647 1  91 LEU HA   1  98 ALA H    . .  3.200 3.218 3.218 3.218 0.018 1 0 "[ ]" 1 
       1648 1  91 LEU HB2  1  92 GLY H    . .  5.200 4.536 4.536 4.536     . 0 0 "[ ]" 1 
       1649 1  91 LEU HB2  1  97 LEU QD   . .  6.800 4.642 4.642 4.642     . 0 0 "[ ]" 1 
       1650 1  91 LEU HB2  1  98 ALA H    . .  5.800 5.886 5.886 5.886 0.086 1 0 "[ ]" 1 
       1651 1  91 LEU HB3  1  92 GLY H    . .  4.200 3.631 3.631 3.631     . 0 0 "[ ]" 1 
       1652 1  91 LEU MD1  1  92 GLY H    . .  5.300 3.385 3.385 3.385     . 0 0 "[ ]" 1 
       1653 1  91 LEU MD1  1  93 GLU H    . .  7.000 5.519 5.519 5.519     . 0 0 "[ ]" 1 
       1654 1  91 LEU MD1  1  95 GLY H    . .  6.900 3.045 3.045 3.045     . 0 0 "[ ]" 1 
       1655 1  91 LEU MD1  1  96 LYS H    . .  7.000 4.645 4.645 4.645     . 0 0 "[ ]" 1 
       1656 1  91 LEU MD1  1  97 LEU HA   . .  7.000 3.093 3.093 3.093     . 0 0 "[ ]" 1 
       1657 1  91 LEU MD1  1  97 LEU HB2  . .  7.000 5.087 5.087 5.087     . 0 0 "[ ]" 1 
       1658 1  91 LEU MD1  1  97 LEU HG   . .  5.600 4.176 4.176 4.176     . 0 0 "[ ]" 1 
       1659 1  91 LEU MD1  1  98 ALA H    . .  7.000 4.665 4.665 4.665     . 0 0 "[ ]" 1 
       1660 1  91 LEU MD2  1  92 GLY H    . .  6.300 4.223 4.223 4.223     . 0 0 "[ ]" 1 
       1661 1  91 LEU MD2  1  97 LEU HA   . .  6.000 3.345 3.345 3.345     . 0 0 "[ ]" 1 
       1662 1  91 LEU MD2  1  97 LEU HB2  . .  7.000 4.945 4.945 4.945     . 0 0 "[ ]" 1 
       1663 1  91 LEU MD2  1  97 LEU QD   . .  7.000 2.067 2.067 2.067     . 0 0 "[ ]" 1 
       1664 1  91 LEU MD2  1  97 LEU HG   . .  5.500 4.722 4.722 4.722     . 0 0 "[ ]" 1 
       1665 1  91 LEU MD2  1  98 ALA H    . .  6.400 4.394 4.394 4.394     . 0 0 "[ ]" 1 
       1666 1  91 LEU HG   1  92 GLY H    . .  5.700 5.587 5.587 5.587     . 0 0 "[ ]" 1 
       1667 1  92 GLY H    1  93 GLU H    . .  4.200 3.144 3.144 3.144     . 0 0 "[ ]" 1 
       1668 1  92 GLY H    1  94 ASP H    . .  6.000 4.537 4.537 4.537     . 0 0 "[ ]" 1 
       1669 1  92 GLY H    1  95 GLY H    . .  6.000 4.405 4.405 4.405     . 0 0 "[ ]" 1 
       1670 1  92 GLY H    1  96 LYS H    . .  4.700 4.702 4.702 4.702 0.002 1 0 "[ ]" 1 
       1671 1  92 GLY H    1  97 LEU HA   . .  3.400 2.694 2.694 2.694     . 0 0 "[ ]" 1 
       1672 1  92 GLY H    1  97 LEU HB3  . .  6.000 4.915 4.915 4.915     . 0 0 "[ ]" 1 
       1673 1  92 GLY H    1  97 LEU QD   . .  6.000 3.792 3.792 3.792     . 0 0 "[ ]" 1 
       1674 1  92 GLY H    1  98 ALA H    . .  5.200 2.692 2.692 2.692     . 0 0 "[ ]" 1 
       1675 1  92 GLY QA   1  93 GLU H    . .  4.300 2.210 2.210 2.210     . 0 0 "[ ]" 1 
       1676 1  92 GLY QA   1  94 ASP HA   . .  5.300 5.514 5.514 5.514 0.214 1 0 "[ ]" 1 
       1677 1  92 GLY QA   1  98 ALA MB   . .  5.800 2.522 2.522 2.522     . 0 0 "[ ]" 1 
       1678 1  93 GLU H    1  94 ASP H    . .  5.300 3.777 3.777 3.777     . 0 0 "[ ]" 1 
       1679 1  93 GLU H    1  97 LEU QD   . .  7.000 5.644 5.644 5.644     . 0 0 "[ ]" 1 
       1680 1  93 GLU HA   1  94 ASP H    . .  3.700 2.318 2.318 2.318     . 0 0 "[ ]" 1 
       1681 1  93 GLU HB2  1  94 ASP H    . .  4.600 4.581 4.581 4.581     . 0 0 "[ ]" 1 
       1682 1  93 GLU HB2  1  96 LYS QB   . .  4.800 3.729 3.729 3.729     . 0 0 "[ ]" 1 
       1683 1  93 GLU HB3  1  94 ASP H    . .  4.500 4.452 4.452 4.452     . 0 0 "[ ]" 1 
       1684 1  93 GLU HB3  1  96 LYS QB   . .  5.000 2.286 2.286 2.286     . 0 0 "[ ]" 1 
       1685 1  93 GLU QG   1  94 ASP H    . .  7.000 3.774 3.774 3.774     . 0 0 "[ ]" 1 
       1686 1  94 ASP H    1  95 GLY H    . .  3.400 3.459 3.459 3.459 0.059 1 0 "[ ]" 1 
       1687 1  94 ASP H    1  95 GLY HA2  . .  5.900 5.953 5.953 5.953 0.053 1 0 "[ ]" 1 
       1688 1  94 ASP H    1  95 GLY HA3  . .  6.000 5.491 5.491 5.491     . 0 0 "[ ]" 1 
       1689 1  94 ASP H    1  96 LYS H    . .  5.100 4.398 4.398 4.398     . 0 0 "[ ]" 1 
       1690 1  94 ASP HA   1  95 GLY H    . .  5.100 2.328 2.328 2.328     . 0 0 "[ ]" 1 
       1691 1  94 ASP HB2  1  95 GLY H    . .  5.600 4.572 4.572 4.572     . 0 0 "[ ]" 1 
       1692 1  95 GLY H    1  96 LYS H    . .  3.300 2.614 2.614 2.614     . 0 0 "[ ]" 1 
       1693 1  95 GLY H    1  96 LYS QG   . .  7.000 6.014 6.014 6.014     . 0 0 "[ ]" 1 
       1694 1  95 GLY H    1  97 LEU QD   . .  7.000 4.055 4.055 4.055     . 0 0 "[ ]" 1 
       1695 1  95 GLY HA2  1  96 LYS H    . .  4.400 3.598 3.598 3.598     . 0 0 "[ ]" 1 
       1696 1  95 GLY HA2  1  97 LEU QD   . .  7.000 4.464 4.464 4.464     . 0 0 "[ ]" 1 
       1697 1  95 GLY HA3  1  96 LYS H    . .  4.100 2.625 2.625 2.625     . 0 0 "[ ]" 1 
       1698 1  95 GLY HA3  1  97 LEU QD   . .  7.000 5.215 5.215 5.215     . 0 0 "[ ]" 1 
       1699 1  96 LYS H    1  96 LYS QB   . .  3.800 2.254 2.254 2.254     . 0 0 "[ ]" 1 
       1700 1  96 LYS H    1  96 LYS HD2  . .  5.400 4.697 4.697 4.697     . 0 0 "[ ]" 1 
       1701 1  96 LYS H    1  96 LYS HD3  . .  5.300 3.312 3.312 3.312     . 0 0 "[ ]" 1 
       1702 1  96 LYS H    1  96 LYS HE2  . .  5.400 3.964 3.964 3.964     . 0 0 "[ ]" 1 
       1703 1  96 LYS H    1  96 LYS HE3  . .  5.100 2.420 2.420 2.420     . 0 0 "[ ]" 1 
       1704 1  96 LYS H    1  96 LYS QG   . .  4.700 3.888 3.888 3.888     . 0 0 "[ ]" 1 
       1705 1  96 LYS H    1  97 LEU H    . .  5.800 4.602 4.602 4.602     . 0 0 "[ ]" 1 
       1706 1  96 LYS H    1  97 LEU QD   . .  7.000 4.505 4.505 4.505     . 0 0 "[ ]" 1 
       1707 1  96 LYS HA   1  96 LYS HD2  . .  4.600 3.804 3.804 3.804     . 0 0 "[ ]" 1 
       1708 1  96 LYS HA   1  96 LYS HD3  . .  4.300 2.500 2.500 2.500     . 0 0 "[ ]" 1 
       1709 1  96 LYS HA   1  96 LYS HE2  . .  6.000 4.706 4.706 4.706     . 0 0 "[ ]" 1 
       1710 1  96 LYS HA   1  96 LYS HE3  . .  5.300 3.767 3.767 3.767     . 0 0 "[ ]" 1 
       1711 1  96 LYS HA   1  97 LEU H    . .  3.300 2.182 2.182 2.182     . 0 0 "[ ]" 1 
       1712 1  96 LYS QB   1  96 LYS HD3  . .  3.700 3.075 3.075 3.075     . 0 0 "[ ]" 1 
       1713 1  96 LYS QB   1  97 LEU H    . .  3.700 2.969 2.969 2.969     . 0 0 "[ ]" 1 
       1714 1  96 LYS HD2  1  97 LEU H    . .  6.000 5.482 5.482 5.482     . 0 0 "[ ]" 1 
       1715 1  96 LYS HD3  1  97 LEU H    . .  5.900 4.545 4.545 4.545     . 0 0 "[ ]" 1 
       1716 1  96 LYS QG   1  97 LEU H    . .  7.000 3.195 3.195 3.195     . 0 0 "[ ]" 1 
       1717 1  96 LYS QG   1  97 LEU QD   . .  5.800 4.865 4.865 4.865     . 0 0 "[ ]" 1 
       1718 1  97 LEU H    1  97 LEU HB2  . .  4.200 2.645 2.645 2.645     . 0 0 "[ ]" 1 
       1719 1  97 LEU H    1  97 LEU HB3  . .  4.300 3.679 3.679 3.679     . 0 0 "[ ]" 1 
       1720 1  97 LEU H    1  97 LEU HG   . .  5.100 2.371 2.371 2.371     . 0 0 "[ ]" 1 
       1721 1  97 LEU H    1  98 ALA H    . .  5.300 4.473 4.473 4.473     . 0 0 "[ ]" 1 
       1722 1  97 LEU HA   1  97 LEU HG   . .  3.800 3.453 3.453 3.453     . 0 0 "[ ]" 1 
       1723 1  97 LEU HA   1  98 ALA H    . .  3.100 2.282 2.282 2.282     . 0 0 "[ ]" 1 
       1724 1  97 LEU HA   1  98 ALA MB   . .  5.100 4.179 4.179 4.179     . 0 0 "[ ]" 1 
       1725 1  97 LEU HB2  1  98 ALA H    . .  6.000 4.158 4.158 4.158     . 0 0 "[ ]" 1 
       1726 1  97 LEU HB3  1  98 ALA H    . .  5.300 3.475 3.475 3.475     . 0 0 "[ ]" 1 
       1727 1  97 LEU QD   1  98 ALA H    . .  6.100 4.001 4.001 4.001     . 0 0 "[ ]" 1 
       1728 1  97 LEU QD   1  98 ALA MB   . .  7.500 5.078 5.078 5.078     . 0 0 "[ ]" 1 
       1729 1  97 LEU QD   1  99 ALA H    . .  7.000 5.235 5.235 5.235     . 0 0 "[ ]" 1 
       1730 1  97 LEU QD   1  99 ALA MB   . .  7.900 3.653 3.653 3.653     . 0 0 "[ ]" 1 
       1731 1  97 LEU HG   1  98 ALA H    . .  5.600 5.475 5.475 5.475     . 0 0 "[ ]" 1 
       1732 1  98 ALA H    1  98 ALA MB   . .  3.400 2.315 2.315 2.315     . 0 0 "[ ]" 1 
       1733 1  98 ALA H    1  99 ALA H    . .  5.000 4.120 4.120 4.120     . 0 0 "[ ]" 1 
       1734 1  98 ALA HA   1  99 ALA H    . .  3.200 2.218 2.218 2.218     . 0 0 "[ ]" 1 
       1735 1  98 ALA MB   1  99 ALA H    . .  5.000 3.555 3.555 3.555     . 0 0 "[ ]" 1 
       1736 1  99 ALA H    1  99 ALA MB   . .  3.400 2.370 2.370 2.370     . 0 0 "[ ]" 1 
       1737 1  99 ALA H    1 100 THR H    . .  5.500 4.522 4.522 4.522     . 0 0 "[ ]" 1 
       1738 1  99 ALA HA   1 100 THR H    . .  3.400 2.251 2.251 2.251     . 0 0 "[ ]" 1 
       1739 1  99 ALA HA   1 101 GLU H    . .  4.700 4.004 4.004 4.004     . 0 0 "[ ]" 1 
       1740 1  99 ALA MB   1 100 THR H    . .  4.500 2.593 2.593 2.593     . 0 0 "[ ]" 1 
       1741 1  99 ALA MB   1 100 THR HA   . .  5.700 3.881 3.881 3.881     . 0 0 "[ ]" 1 
       1742 1  99 ALA MB   1 101 GLU H    . .  4.700 3.916 3.916 3.916     . 0 0 "[ ]" 1 
       1743 1 100 THR H    1 100 THR HB   . .  4.100 3.492 3.492 3.492     . 0 0 "[ ]" 1 
       1744 1 100 THR H    1 101 GLU H    . .  3.300 1.935 1.935 1.935     . 0 0 "[ ]" 1 
       1745 1 100 THR HA   1 101 GLU H    . .  4.100 3.613 3.613 3.613     . 0 0 "[ ]" 1 
       1746 1 100 THR HB   1 101 GLU H    . .  5.000 4.234 4.234 4.234     . 0 0 "[ ]" 1 
       1747 1 100 THR HG1  1 101 GLU HA   . .  6.000 5.167 5.167 5.167     . 0 0 "[ ]" 1 
       1748 1 100 THR HG1  1 102 VAL MG2  . .  7.000 5.266 5.266 5.266     . 0 0 "[ ]" 1 
       1749 1 100 THR MG   1 101 GLU H    . .  6.200 2.470 2.470 2.470     . 0 0 "[ ]" 1 
       1750 1 101 GLU H    1 101 GLU HB3  . .  3.800 3.527 3.527 3.527     . 0 0 "[ ]" 1 
       1751 1 101 GLU H    1 101 GLU HG2  . .  5.400 3.975 3.975 3.975     . 0 0 "[ ]" 1 
       1752 1 101 GLU H    1 101 GLU HG3  . .  4.400 2.803 2.803 2.803     . 0 0 "[ ]" 1 
       1753 1 101 GLU H    1 102 VAL H    . .  4.500 3.774 3.774 3.774     . 0 0 "[ ]" 1 
       1754 1 101 GLU H    1 102 VAL MG2  . .  7.000 5.197 5.197 5.197     . 0 0 "[ ]" 1 
       1755 1 101 GLU HA   1 102 VAL H    . .  3.400 2.420 2.420 2.420     . 0 0 "[ ]" 1 
       1756 1 101 GLU HA   1 102 VAL MG2  . .  7.000 4.159 4.159 4.159     . 0 0 "[ ]" 1 
       1757 1 101 GLU HB2  1 102 VAL H    . .  4.600 4.564 4.564 4.564     . 0 0 "[ ]" 1 
       1758 1 101 GLU HB3  1 102 VAL H    . .  4.500 4.319 4.319 4.319     . 0 0 "[ ]" 1 
       1759 1 101 GLU HG2  1 102 VAL H    . .  5.900 5.028 5.028 5.028     . 0 0 "[ ]" 1 
       1760 1 101 GLU HG3  1 102 VAL H    . .  6.000 5.097 5.097 5.097     . 0 0 "[ ]" 1 
       1761 1 102 VAL H    1 102 VAL HB   . .  4.000 3.769 3.769 3.769     . 0 0 "[ ]" 1 
       1762 1 102 VAL H    1 102 VAL MG2  . .  4.200 2.100 2.100 2.100     . 0 0 "[ ]" 1 
       1763 1 102 VAL H    1 103 LEU H    . .  5.700 4.521 4.521 4.521     . 0 0 "[ ]" 1 
       1764 1 102 VAL HA   1 103 LEU H    . .  3.100 2.140 2.140 2.140     . 0 0 "[ ]" 1 
       1765 1 102 VAL HB   1 103 LEU H    . .  4.900 3.145 3.145 3.145     . 0 0 "[ ]" 1 
       1766 1 102 VAL MG1  1 103 LEU H    . .  5.100 3.885 3.885 3.885     . 0 0 "[ ]" 1 
       1767 1 102 VAL MG2  1 103 LEU H    . .  6.400 4.002 4.002 4.002     . 0 0 "[ ]" 1 
       1768 1 103 LEU H    1 103 LEU HB2  . .  4.000 2.791 2.791 2.791     . 0 0 "[ ]" 1 
       1769 1 103 LEU H    1 103 LEU MD1  . .  4.800 3.582 3.582 3.582     . 0 0 "[ ]" 1 
       1770 1 103 LEU H    1 103 LEU MD2  . .  5.000 2.457 2.457 2.457     . 0 0 "[ ]" 1 
       1771 1 103 LEU H    1 103 LEU HG   . .  4.600 4.388 4.388 4.388     . 0 0 "[ ]" 1 
       1772 1 103 LEU H    1 104 ALA H    . .  4.600 4.111 4.111 4.111     . 0 0 "[ ]" 1 
       1773 1 103 LEU HA   1 103 LEU MD1  . .  4.600 2.311 2.311 2.311     . 0 0 "[ ]" 1 
       1774 1 103 LEU HA   1 103 LEU HG   . .  4.000 3.794 3.794 3.794     . 0 0 "[ ]" 1 
       1775 1 103 LEU HA   1 104 ALA H    . .  4.200 2.184 2.184 2.184     . 0 0 "[ ]" 1 
       1776 1 103 LEU HA   1 104 ALA MB   . .  6.900 4.086 4.086 4.086     . 0 0 "[ ]" 1 
       1777 1 103 LEU HB2  1 104 ALA H    . .  4.300 4.321 4.321 4.321 0.021 1 0 "[ ]" 1 
       1778 1 103 LEU HB3  1 104 ALA H    . .  3.900 3.656 3.656 3.656     . 0 0 "[ ]" 1 
       1779 1 103 LEU MD1  1 104 ALA H    . .  5.700 4.070 4.070 4.070     . 0 0 "[ ]" 1 
       1780 1 103 LEU MD2  1 104 ALA H    . .  7.000 5.070 5.070 5.070     . 0 0 "[ ]" 1 
       1781 1 103 LEU MD2  1 105 LYS H    . .  7.000 5.094 5.094 5.094     . 0 0 "[ ]" 1 
       1782 1 103 LEU MD2  1 105 LYS QD   . .  6.500 4.634 4.634 4.634     . 0 0 "[ ]" 1 
       1783 1 103 LEU HG   1 104 ALA H    . .  6.000 5.686 5.686 5.686     . 0 0 "[ ]" 1 
       1784 1 104 ALA H    1 105 LYS H    . .  4.700 3.582 3.582 3.582     . 0 0 "[ ]" 1 
       1785 1 104 ALA HA   1 105 LYS H    . .  3.300 2.612 2.612 2.612     . 0 0 "[ ]" 1 
       1786 1 104 ALA HA   1 105 LYS QG   . .  6.200 4.504 4.504 4.504     . 0 0 "[ ]" 1 
       1787 1 104 ALA MB   1 105 LYS H    . .  4.500 3.789 3.789 3.789     . 0 0 "[ ]" 1 
       1788 1 104 ALA MB   1 105 LYS HB2  . .  7.000 6.118 6.118 6.118     . 0 0 "[ ]" 1 
       1789 1 104 ALA MB   1 106 HIS H    . .  4.900 4.055 4.055 4.055     . 0 0 "[ ]" 1 
       1790 1 105 LYS H    1 105 LYS HB2  . .  4.000 3.691 3.691 3.691     . 0 0 "[ ]" 1 
       1791 1 105 LYS H    1 105 LYS HB3  . .  4.100 2.607 2.607 2.607     . 0 0 "[ ]" 1 
       1792 1 105 LYS H    1 105 LYS QD   . .  5.100 3.980 3.980 3.980     . 0 0 "[ ]" 1 
       1793 1 105 LYS H    1 105 LYS QE   . .  7.000 4.672 4.672 4.672     . 0 0 "[ ]" 1 
       1794 1 105 LYS HA   1 106 HIS H    . .  3.700 3.478 3.478 3.478     . 0 0 "[ ]" 1 
       1795 1 105 LYS QE   1 106 HIS HD2  . .  7.000 4.968 4.968 4.968     . 0 0 "[ ]" 1 
       1796 1 106 HIS H    1 106 HIS HD2  . .  6.000 4.393 4.393 4.393     . 0 0 "[ ]" 1 
    stop_

save_



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