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
382302 1jfk 4271 cing 4-filtered-FRED Wattos check violation distance


data_1jfk


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              927
    _Distance_constraint_stats_list.Viol_count                    88
    _Distance_constraint_stats_list.Viol_total                    4.855
    _Distance_constraint_stats_list.Viol_max                      0.500
    _Distance_constraint_stats_list.Viol_rms                      0.0295
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0052
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0552
    _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   4 ALA 0.000 0.000 . 0 "[ ]" 
       1   5 LEU 0.000 0.000 . 0 "[ ]" 
       1   6 PHE 0.011 0.011 1 0 "[ ]" 
       1   7 LYS 0.000 0.000 . 0 "[ ]" 
       1   8 GLU 0.000 0.000 . 0 "[ ]" 
       1   9 ILE 0.000 0.000 . 0 "[ ]" 
       1  10 ASP 0.073 0.073 1 0 "[ ]" 
       1  11 VAL 0.000 0.000 . 0 "[ ]" 
       1  12 ASN 0.000 0.000 . 0 "[ ]" 
       1  13 GLY 0.000 0.000 . 0 "[ ]" 
       1  14 ASP 0.006 0.006 1 0 "[ ]" 
       1  15 GLY 0.073 0.073 1 0 "[ ]" 
       1  16 ALA 0.007 0.007 1 0 "[ ]" 
       1  17 VAL 0.000 0.000 . 0 "[ ]" 
       1  18 SER 0.096 0.039 1 0 "[ ]" 
       1  19 TYR 0.039 0.039 1 0 "[ ]" 
       1  20 GLU 0.020 0.020 1 0 "[ ]" 
       1  21 GLU 0.037 0.037 1 0 "[ ]" 
       1  22 VAL 0.000 0.000 . 0 "[ ]" 
       1  23 LYS 0.039 0.039 1 0 "[ ]" 
       1  24 ALA 0.000 0.000 . 0 "[ ]" 
       1  25 PHE 0.000 0.000 . 0 "[ ]" 
       1  26 VAL 0.000 0.000 . 0 "[ ]" 
       1  27 SER 0.000 0.000 . 0 "[ ]" 
       1  28 LYS 0.000 0.000 . 0 "[ ]" 
       1  29 LYS 0.000 0.000 . 0 "[ ]" 
       1  30 ARG 0.000 0.000 . 0 "[ ]" 
       1  31 ALA 0.035 0.019 1 0 "[ ]" 
       1  32 ILE 0.019 0.019 1 0 "[ ]" 
       1  33 LYS 0.017 0.017 1 0 "[ ]" 
       1  34 ASN 0.000 0.000 . 0 "[ ]" 
       1  35 GLU 0.014 0.014 1 0 "[ ]" 
       1  36 GLN 0.026 0.026 1 0 "[ ]" 
       1  37 LEU 0.074 0.052 1 0 "[ ]" 
       1  38 LEU 0.026 0.026 1 0 "[ ]" 
       1  39 GLN 0.064 0.035 1 0 "[ ]" 
       1  40 LEU 0.007 0.007 1 0 "[ ]" 
       1  41 ILE 0.074 0.052 1 0 "[ ]" 
       1  42 PHE 0.017 0.017 1 0 "[ ]" 
       1  43 LYS 0.049 0.035 1 0 "[ ]" 
       1  44 SER 0.126 0.119 1 0 "[ ]" 
       1  45 ILE 0.119 0.119 1 0 "[ ]" 
       1  46 ASP 0.387 0.387 1 0 "[ ]" 
       1  47 ALA 0.000 0.000 . 0 "[ ]" 
       1  48 ASP 0.103 0.103 1 0 "[ ]" 
       1  49 GLY 0.000 0.000 . 0 "[ ]" 
       1  50 ASN 0.144 0.139 1 0 "[ ]" 
       1  51 GLY 0.485 0.387 1 0 "[ ]" 
       1  52 GLU 0.055 0.039 1 0 "[ ]" 
       1  53 ILE 0.081 0.071 1 0 "[ ]" 
       1  54 ASP 0.012 0.007 1 0 "[ ]" 
       1  55 GLN 0.065 0.054 1 0 "[ ]" 
       1  56 ASN 0.000 0.000 . 0 "[ ]" 
       1  57 GLU 0.005 0.005 1 0 "[ ]" 
       1  58 PHE 0.000 0.000 . 0 "[ ]" 
       1  59 ALA 0.000 0.000 . 0 "[ ]" 
       1  60 LYS 0.000 0.000 . 0 "[ ]" 
       1  61 PHE 0.000 0.000 . 0 "[ ]" 
       1  62 TYR 0.000 0.000 . 0 "[ ]" 
       1  63 GLY 0.000 0.000 . 0 "[ ]" 
       1  64 SER 0.000 0.000 . 0 "[ ]" 
       1  65 ILE 0.000 0.000 . 0 "[ ]" 
       1  66 GLN 0.000 0.000 . 0 "[ ]" 
       1  67 GLY 0.000 0.000 . 0 "[ ]" 
       1  68 GLN 0.000 0.000 . 0 "[ ]" 
       1  69 ASP 0.000 0.000 . 0 "[ ]" 
       1  70 LEU 0.000 0.000 . 0 "[ ]" 
       1  71 SER 0.000 0.000 . 0 "[ ]" 
       1  72 ASP 0.063 0.063 1 0 "[ ]" 
       1  73 ASP 0.122 0.063 1 0 "[ ]" 
       1  74 LYS 0.186 0.125 1 0 "[ ]" 
       1  75 ILE 0.204 0.125 1 0 "[ ]" 
       1  76 GLY 0.075 0.075 1 0 "[ ]" 
       1  77 LEU 0.107 0.107 1 0 "[ ]" 
       1  78 LYS 0.156 0.107 1 0 "[ ]" 
       1  79 VAL 0.136 0.082 1 0 "[ ]" 
       1  80 LEU 0.210 0.128 1 0 "[ ]" 
       1  81 TYR 0.196 0.128 1 0 "[ ]" 
       1  82 LYS 0.126 0.068 1 0 "[ ]" 
       1  83 LEU 0.062 0.058 1 0 "[ ]" 
       1  84 MET 0.000 0.000 . 0 "[ ]" 
       1  85 ASP 0.585 0.407 1 0 "[ ]" 
       1  86 VAL 0.177 0.086 1 0 "[ ]" 
       1  87 ASP 0.000 0.000 . 0 "[ ]" 
       1  88 GLY 0.000 0.000 . 0 "[ ]" 
       1  89 ASP 0.001 0.001 1 0 "[ ]" 
       1  90 GLY 0.407 0.407 1 0 "[ ]" 
       1  91 LYS 0.002 0.001 1 0 "[ ]" 
       1  92 LEU 0.000 0.000 . 0 "[ ]" 
       1  93 THR 0.009 0.009 1 0 "[ ]" 
       1  94 LYS 0.044 0.044 1 0 "[ ]" 
       1  95 GLU 0.119 0.068 1 0 "[ ]" 
       1  96 GLU 0.179 0.100 1 0 "[ ]" 
       1  97 VAL 0.153 0.100 1 0 "[ ]" 
       1  98 THR 0.094 0.053 1 0 "[ ]" 
       1  99 SER 0.162 0.114 1 0 "[ ]" 
       1 100 PHE 0.249 0.127 1 0 "[ ]" 
       1 101 PHE 0.127 0.127 1 0 "[ ]" 
       1 102 LYS 0.024 0.024 1 0 "[ ]" 
       1 103 LYS 0.000 0.000 . 0 "[ ]" 
       1 104 HIS 0.000 0.000 . 0 "[ ]" 
       1 105 GLY 0.000 0.000 . 0 "[ ]" 
       1 106 ILE 0.051 0.051 1 0 "[ ]" 
       1 107 GLU 0.051 0.051 1 0 "[ ]" 
       1 108 LYS 0.000 0.000 . 0 "[ ]" 
       1 109 VAL 0.011 0.011 1 0 "[ ]" 
       1 110 ALA 0.072 0.072 1 0 "[ ]" 
       1 111 GLU 0.191 0.095 1 0 "[ ]" 
       1 112 GLN 0.167 0.095 1 0 "[ ]" 
       1 113 VAL 0.097 0.053 1 0 "[ ]" 
       1 114 MET 0.124 0.069 1 0 "[ ]" 
       1 115 LYS 0.143 0.069 1 0 "[ ]" 
       1 116 ALA 0.086 0.063 1 0 "[ ]" 
       1 117 ASP 0.516 0.500 1 1  [+]  
       1 118 ALA 0.000 0.000 . 0 "[ ]" 
       1 119 ASN 0.000 0.000 . 0 "[ ]" 
       1 120 GLY 0.000 0.000 . 0 "[ ]" 
       1 121 ASP 0.000 0.000 . 0 "[ ]" 
       1 122 GLY 0.500 0.500 1 1  [+]  
       1 123 TYR 0.009 0.009 1 0 "[ ]" 
       1 124 ILE 0.000 0.000 . 0 "[ ]" 
       1 125 THR 0.002 0.001 1 0 "[ ]" 
       1 126 LEU 0.015 0.009 1 0 "[ ]" 
       1 127 GLU 0.071 0.061 1 0 "[ ]" 
       1 128 GLU 0.121 0.061 1 0 "[ ]" 
       1 129 PHE 0.113 0.057 1 0 "[ ]" 
       1 130 LEU 0.064 0.057 1 0 "[ ]" 
       1 131 GLU 0.044 0.043 1 0 "[ ]" 
       1 132 PHE 0.113 0.066 1 0 "[ ]" 
       1 133 SER 0.138 0.066 1 0 "[ ]" 
       1 134 LEU 0.050 0.050 1 0 "[ ]" 
       2   1 CA  0.000 0.000 . 0 "[ ]" 
       3   1 CA  0.017 0.006 1 0 "[ ]" 
       4   1 CA  0.004 0.003 1 0 "[ ]" 
       5   1 CA  0.000 0.000 . 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   4 ALA HA  1   7 LYS QB  . . 4.500 3.936 3.936 3.936     . 0 0 "[ ]" 1 
         2 1   4 ALA MB  1   5 LEU H   . . 4.000 2.887 2.887 2.887     . 0 0 "[ ]" 1 
         3 1   4 ALA O   1   8 GLU H   . . 2.000 1.924 1.924 1.924     . 0 0 "[ ]" 1 
         4 1   4 ALA O   1   8 GLU N   . . 3.000 2.782 2.782 2.782     . 0 0 "[ ]" 1 
         5 1   5 LEU H   1   5 LEU MD1 . . 5.500 2.660 2.660 2.660     . 0 0 "[ ]" 1 
         6 1   5 LEU H   1   5 LEU MD2 . . 5.500 4.192 4.192 4.192     . 0 0 "[ ]" 1 
         7 1   5 LEU H   1   5 LEU HG  . . 5.000 4.154 4.154 4.154     . 0 0 "[ ]" 1 
         8 1   5 LEU H   1   6 PHE H   . . 3.500 2.534 2.534 2.534     . 0 0 "[ ]" 1 
         9 1   5 LEU HA  1   8 GLU H   . . 4.500 3.308 3.308 3.308     . 0 0 "[ ]" 1 
        10 1   5 LEU HA  1   8 GLU QB  . . 4.500 2.074 2.074 2.074     . 0 0 "[ ]" 1 
        11 1   5 LEU QB  1   6 PHE H   . . 4.500 2.687 2.687 2.687     . 0 0 "[ ]" 1 
        12 1   5 LEU HG  1   6 PHE H   . . 5.500 5.023 5.023 5.023     . 0 0 "[ ]" 1 
        13 1   5 LEU O   1   9 ILE H   . . 2.000 1.800 1.800 1.800     . 0 0 "[ ]" 1 
        14 1   5 LEU O   1   9 ILE N   . . 3.000 2.794 2.794 2.794     . 0 0 "[ ]" 1 
        15 1   6 PHE H   1   6 PHE HB2 . . 4.000 2.709 2.709 2.709     . 0 0 "[ ]" 1 
        16 1   6 PHE H   1   6 PHE HB3 . . 4.000 2.039 2.039 2.039     . 0 0 "[ ]" 1 
        17 1   6 PHE H   1   7 LYS H   . . 3.500 2.810 2.810 2.810     . 0 0 "[ ]" 1 
        18 1   6 PHE HA  1   9 ILE HB  . . 4.500 3.645 3.645 3.645     . 0 0 "[ ]" 1 
        19 1   6 PHE HA  1  25 PHE QB  . . 6.000 5.260 5.260 5.260     . 0 0 "[ ]" 1 
        20 1   6 PHE QB  1  25 PHE QE  . . 5.590 4.109 4.109 4.109     . 0 0 "[ ]" 1 
        21 1   6 PHE HB3 1  55 GLN HA  . . 4.500 4.511 4.511 4.511 0.011 1 0 "[ ]" 1 
        22 1   6 PHE QE  1  17 VAL HA  . . 5.500 4.231 4.231 4.231     . 0 0 "[ ]" 1 
        23 1   6 PHE QE  1  53 ILE MD  . . 6.000 3.219 3.219 3.219     . 0 0 "[ ]" 1 
        24 1   7 LYS H   1   7 LYS QD  . . 5.500 3.796 3.796 3.796     . 0 0 "[ ]" 1 
        25 1   7 LYS H   1   7 LYS QG  . . 5.000 1.959 1.959 1.959     . 0 0 "[ ]" 1 
        26 1   7 LYS H   1   8 GLU H   . . 2.650 2.515 2.515 2.515     . 0 0 "[ ]" 1 
        27 1   7 LYS HA  1  15 GLY H   . . 5.000 4.747 4.747 4.747     . 0 0 "[ ]" 1 
        28 1   7 LYS QB  1   8 GLU H   . . 4.080 3.536 3.536 3.536     . 0 0 "[ ]" 1 
        29 1   7 LYS QD  1   9 ILE H   . . 6.380 4.938 4.938 4.938     . 0 0 "[ ]" 1 
        30 1   8 GLU H   1   8 GLU HB2 . . 4.000 2.693 2.693 2.693     . 0 0 "[ ]" 1 
        31 1   8 GLU H   1   8 GLU HB3 . . 4.000 2.272 2.272 2.272     . 0 0 "[ ]" 1 
        32 1   8 GLU H   1   8 GLU QG  . . 5.000 3.870 3.870 3.870     . 0 0 "[ ]" 1 
        33 1   8 GLU H   1   9 ILE H   . . 3.000 2.934 2.934 2.934     . 0 0 "[ ]" 1 
        34 1   8 GLU HB2 1   9 ILE H   . . 4.000 3.893 3.893 3.893     . 0 0 "[ ]" 1 
        35 1   8 GLU QG  1   9 ILE H   . . 6.380 2.827 2.827 2.827     . 0 0 "[ ]" 1 
        36 1   8 GLU QG  1  11 VAL H   . . 6.380 5.739 5.739 5.739     . 0 0 "[ ]" 1 
        37 1   9 ILE H   1   9 ILE HB  . . 4.000 2.035 2.035 2.035     . 0 0 "[ ]" 1 
        38 1   9 ILE H   1  10 ASP H   . . 3.500 2.779 2.779 2.779     . 0 0 "[ ]" 1 
        39 1   9 ILE HA  1  10 ASP H   . . 4.600 3.579 3.579 3.579     . 0 0 "[ ]" 1 
        40 1   9 ILE HB  1  10 ASP H   . . 4.000 3.643 3.643 3.643     . 0 0 "[ ]" 1 
        41 1   9 ILE QG  1  10 ASP H   . . 5.260 4.704 4.704 4.704     . 0 0 "[ ]" 1 
        42 1   9 ILE QG  1  11 VAL H   . . 6.380 5.602 5.602 5.602     . 0 0 "[ ]" 1 
        43 1   9 ILE MG  1  10 ASP H   . . 5.910 2.270 2.270 2.270     . 0 0 "[ ]" 1 
        44 1   9 ILE MG  1  11 VAL H   . . 6.000 4.125 4.125 4.125     . 0 0 "[ ]" 1 
        45 1  10 ASP CG  1  15 GLY H   . . 3.000 3.073 3.073 3.073 0.073 1 0 "[ ]" 1 
        46 1  10 ASP CG  2   1 CA  CA  . . 4.000 3.021 3.021 3.021     . 0 0 "[ ]" 1 
        47 1  10 ASP H   1  10 ASP HB2 . . 4.000 2.674 2.674 2.674     . 0 0 "[ ]" 1 
        48 1  10 ASP H   1  10 ASP HB3 . . 4.000 2.280 2.280 2.280     . 0 0 "[ ]" 1 
        49 1  10 ASP H   1  11 VAL H   . . 4.500 3.907 3.907 3.907     . 0 0 "[ ]" 1 
        50 1  10 ASP HA  1  11 VAL H   . . 4.000 2.487 2.487 2.487     . 0 0 "[ ]" 1 
        51 1  10 ASP HA  1  12 ASN H   . . 4.200 3.445 3.445 3.445     . 0 0 "[ ]" 1 
        52 1  11 VAL H   1  11 VAL HB  . . 4.000 2.357 2.357 2.357     . 0 0 "[ ]" 1 
        53 1  11 VAL H   1  11 VAL MG2 . . 4.000 2.054 2.054 2.054     . 0 0 "[ ]" 1 
        54 1  11 VAL H   1  12 ASN H   . . 4.110 2.806 2.806 2.806     . 0 0 "[ ]" 1 
        55 1  11 VAL HA  1  12 ASN H   . . 4.000 3.590 3.590 3.590     . 0 0 "[ ]" 1 
        56 1  11 VAL HB  1  12 ASN H   . . 3.020 2.792 2.792 2.792     . 0 0 "[ ]" 1 
        57 1  11 VAL MG2 1  12 ASN H   . . 5.500 4.016 4.016 4.016     . 0 0 "[ ]" 1 
        58 1  12 ASN H   1  12 ASN HB2 . . 4.110 2.781 2.781 2.781     . 0 0 "[ ]" 1 
        59 1  12 ASN H   1  12 ASN HB3 . . 4.110 3.526 3.526 3.526     . 0 0 "[ ]" 1 
        60 1  12 ASN H   1  13 GLY H   . . 3.500 2.782 2.782 2.782     . 0 0 "[ ]" 1 
        61 1  12 ASN HA  1  13 GLY H   . . 3.610 3.599 3.599 3.599     . 0 0 "[ ]" 1 
        62 1  12 ASN HB2 1  13 GLY H   . . 5.130 2.666 2.666 2.666     . 0 0 "[ ]" 1 
        63 1  12 ASN HB3 1  13 GLY H   . . 5.500 3.938 3.938 3.938     . 0 0 "[ ]" 1 
        64 1  12 ASN OD1 2   1 CA  CA  . . 2.800 2.799 2.799 2.799     . 0 0 "[ ]" 1 
        65 1  13 GLY H   1  14 ASP H   . . 3.990 2.810 2.810 2.810     . 0 0 "[ ]" 1 
        66 1  13 GLY H   1  15 GLY H   . . 4.660 4.448 4.448 4.448     . 0 0 "[ ]" 1 
        67 1  13 GLY QA  1  14 ASP H   . . 3.870 2.576 2.576 2.576     . 0 0 "[ ]" 1 
        68 1  13 GLY QA  1  15 GLY H   . . 5.110 3.872 3.872 3.872     . 0 0 "[ ]" 1 
        69 1  14 ASP CG  2   1 CA  CA  . . 4.000 3.688 3.688 3.688     . 0 0 "[ ]" 1 
        70 1  14 ASP H   1  14 ASP HB2 . . 3.610 3.616 3.616 3.616 0.006 1 0 "[ ]" 1 
        71 1  14 ASP H   1  14 ASP HB3 . . 3.930 3.229 3.229 3.229     . 0 0 "[ ]" 1 
        72 1  14 ASP H   1  15 GLY H   . . 4.000 1.947 1.947 1.947     . 0 0 "[ ]" 1 
        73 1  14 ASP HA  1  15 GLY H   . . 4.000 3.617 3.617 3.617     . 0 0 "[ ]" 1 
        74 1  14 ASP HB2 1  15 GLY H   . . 5.500 3.495 3.495 3.495     . 0 0 "[ ]" 1 
        75 1  14 ASP HB3 1  15 GLY H   . . 4.760 4.032 4.032 4.032     . 0 0 "[ ]" 1 
        76 1  15 GLY H   1  15 GLY HA2 . . 3.000 2.426 2.426 2.426     . 0 0 "[ ]" 1 
        77 1  15 GLY H   1  15 GLY HA3 . . 3.000 2.959 2.959 2.959     . 0 0 "[ ]" 1 
        78 1  15 GLY H   1  16 ALA H   . . 4.000 1.943 1.943 1.943     . 0 0 "[ ]" 1 
        79 1  15 GLY H   1  16 ALA HA  . . 5.500 4.629 4.629 4.629     . 0 0 "[ ]" 1 
        80 1  15 GLY H   1  16 ALA MB  . . 6.220 3.885 3.885 3.885     . 0 0 "[ ]" 1 
        81 1  15 GLY HA2 1  16 ALA H   . . 3.450 2.946 2.946 2.946     . 0 0 "[ ]" 1 
        82 1  15 GLY HA3 1  16 ALA H   . . 4.000 3.603 3.603 3.603     . 0 0 "[ ]" 1 
        83 1  16 ALA CA  1  54 ASP HA  . . 3.000 3.007 3.007 3.007 0.007 1 0 "[ ]" 1 
        84 1  16 ALA H   1  16 ALA HA  . . 3.020 2.872 2.872 2.872     . 0 0 "[ ]" 1 
        85 1  16 ALA HA  1  17 VAL H   . . 2.520 2.369 2.369 2.369     . 0 0 "[ ]" 1 
        86 1  16 ALA HA  1  54 ASP HA  . . 2.100 2.076 2.076 2.076     . 0 0 "[ ]" 1 
        87 1  16 ALA MB  1  17 VAL H   . . 4.330 2.758 2.758 2.758     . 0 0 "[ ]" 1 
        88 1  16 ALA MB  1  53 ILE H   . . 6.000 4.479 4.479 4.479     . 0 0 "[ ]" 1 
        89 1  16 ALA MB  1  54 ASP HA  . . 4.000 2.706 2.706 2.706     . 0 0 "[ ]" 1 
        90 1  16 ALA MB  1  54 ASP QB  . . 5.000 3.082 3.082 3.082     . 0 0 "[ ]" 1 
        91 1  16 ALA O   2   1 CA  CA  . . 2.800 2.789 2.789 2.789     . 0 0 "[ ]" 1 
        92 1  17 VAL H   1  17 VAL HB  . . 4.050 2.401 2.401 2.401     . 0 0 "[ ]" 1 
        93 1  17 VAL H   1  53 ILE H   . . 3.790 3.492 3.492 3.492     . 0 0 "[ ]" 1 
        94 1  17 VAL H   1  53 ILE O   . . 2.000 1.814 1.814 1.814     . 0 0 "[ ]" 1 
        95 1  17 VAL H   1  54 ASP HA  . . 3.500 2.400 2.400 2.400     . 0 0 "[ ]" 1 
        96 1  17 VAL HA  1  18 SER H   . . 2.750 2.473 2.473 2.473     . 0 0 "[ ]" 1 
        97 1  17 VAL HB  1  18 SER H   . . 4.500 3.907 3.907 3.907     . 0 0 "[ ]" 1 
        98 1  17 VAL MG1 1  18 SER H   . . 5.500 1.859 1.859 1.859     . 0 0 "[ ]" 1 
        99 1  17 VAL MG2 1  18 SER H   . . 6.000 3.413 3.413 3.413     . 0 0 "[ ]" 1 
       100 1  17 VAL N   1  53 ILE O   . . 3.000 2.688 2.688 2.688     . 0 0 "[ ]" 1 
       101 1  17 VAL O   1  53 ILE H   . . 2.000 1.800 1.800 1.800     . 0 0 "[ ]" 1 
       102 1  17 VAL O   1  53 ILE N   . . 3.000 2.685 2.685 2.685     . 0 0 "[ ]" 1 
       103 1  18 SER CA  1  52 GLU HA  . . 3.000 3.039 3.039 3.039 0.039 1 0 "[ ]" 1 
       104 1  18 SER H   1  21 GLU H   . . 5.500 3.215 3.215 3.215     . 0 0 "[ ]" 1 
       105 1  18 SER HA  1  19 TYR H   . . 4.000 2.729 2.729 2.729     . 0 0 "[ ]" 1 
       106 1  18 SER HA  1  20 GLU H   . . 4.580 4.600 4.600 4.600 0.020 1 0 "[ ]" 1 
       107 1  18 SER HA  1  21 GLU H   . . 5.500 4.656 4.656 4.656     . 0 0 "[ ]" 1 
       108 1  18 SER HA  1  52 GLU HA  . . 2.100 2.001 2.001 2.001     . 0 0 "[ ]" 1 
       109 1  18 SER HA  1  53 ILE H   . . 4.000 2.629 2.629 2.629     . 0 0 "[ ]" 1 
       110 1  18 SER HB2 1  19 TYR H   . . 4.000 2.230 2.230 2.230     . 0 0 "[ ]" 1 
       111 1  18 SER HB2 1  20 GLU H   . . 5.500 3.340 3.340 3.340     . 0 0 "[ ]" 1 
       112 1  18 SER HB3 1  19 TYR H   . . 4.000 3.715 3.715 3.715     . 0 0 "[ ]" 1 
       113 1  18 SER HB3 1  20 GLU H   . . 5.500 4.399 4.399 4.399     . 0 0 "[ ]" 1 
       114 1  18 SER OG  1  21 GLU H   . . 2.100 2.137 2.137 2.137 0.037 1 0 "[ ]" 1 
       115 1  19 TYR H   1  20 GLU H   . . 3.240 2.601 2.601 2.601     . 0 0 "[ ]" 1 
       116 1  19 TYR HA  1  20 GLU H   . . 4.500 3.595 3.595 3.595     . 0 0 "[ ]" 1 
       117 1  19 TYR HA  1  22 VAL H   . . 3.920 3.670 3.670 3.670     . 0 0 "[ ]" 1 
       118 1  19 TYR HB2 1  20 GLU H   . . 4.000 3.974 3.974 3.974     . 0 0 "[ ]" 1 
       119 1  19 TYR HB3 1  20 GLU H   . . 3.950 2.613 2.613 2.613     . 0 0 "[ ]" 1 
       120 1  19 TYR O   1  23 LYS H   . . 2.000 2.039 2.039 2.039 0.039 1 0 "[ ]" 1 
       121 1  19 TYR O   1  23 LYS N   . . 3.000 2.946 2.946 2.946     . 0 0 "[ ]" 1 
       122 1  20 GLU H   1  20 GLU HA  . . 2.960 2.828 2.828 2.828     . 0 0 "[ ]" 1 
       123 1  20 GLU H   1  20 GLU QG  . . 4.500 3.797 3.797 3.797     . 0 0 "[ ]" 1 
       124 1  20 GLU H   1  21 GLU H   . . 3.110 2.501 2.501 2.501     . 0 0 "[ ]" 1 
       125 1  20 GLU H   1  22 VAL H   . . 5.500 4.047 4.047 4.047     . 0 0 "[ ]" 1 
       126 1  20 GLU HA  1  21 GLU H   . . 4.110 3.602 3.602 3.602     . 0 0 "[ ]" 1 
       127 1  20 GLU HA  1  23 LYS H   . . 3.760 3.325 3.325 3.325     . 0 0 "[ ]" 1 
       128 1  20 GLU HA  1  23 LYS QB  . . 4.500 2.227 2.227 2.227     . 0 0 "[ ]" 1 
       129 1  20 GLU HA  1  24 ALA H   . . 4.500 4.098 4.098 4.098     . 0 0 "[ ]" 1 
       130 1  20 GLU O   1  24 ALA H   . . 2.000 1.986 1.986 1.986     . 0 0 "[ ]" 1 
       131 1  20 GLU O   1  24 ALA N   . . 3.000 2.911 2.911 2.911     . 0 0 "[ ]" 1 
       132 1  21 GLU H   1  21 GLU QG  . . 4.270 3.309 3.309 3.309     . 0 0 "[ ]" 1 
       133 1  21 GLU H   1  22 VAL H   . . 3.020 2.700 2.700 2.700     . 0 0 "[ ]" 1 
       134 1  21 GLU HA  1  22 VAL H   . . 4.070 3.610 3.610 3.610     . 0 0 "[ ]" 1 
       135 1  21 GLU HA  1  24 ALA MB  . . 4.500 2.954 2.954 2.954     . 0 0 "[ ]" 1 
       136 1  21 GLU QG  1  22 VAL H   . . 5.010 4.457 4.457 4.457     . 0 0 "[ ]" 1 
       137 1  21 GLU O   1  25 PHE H   . . 2.000 1.957 1.957 1.957     . 0 0 "[ ]" 1 
       138 1  21 GLU O   1  25 PHE N   . . 3.000 2.888 2.888 2.888     . 0 0 "[ ]" 1 
       139 1  21 GLU OE1 2   1 CA  CA  . . 2.800 2.738 2.738 2.738     . 0 0 "[ ]" 1 
       140 1  21 GLU OE2 2   1 CA  CA  . . 2.800 2.780 2.780 2.780     . 0 0 "[ ]" 1 
       141 1  22 VAL H   1  22 VAL HA  . . 2.930 2.821 2.821 2.821     . 0 0 "[ ]" 1 
       142 1  22 VAL H   1  22 VAL HB  . . 2.490 2.359 2.359 2.359     . 0 0 "[ ]" 1 
       143 1  22 VAL H   1  22 VAL MG1 . . 4.500 2.118 2.118 2.118     . 0 0 "[ ]" 1 
       144 1  22 VAL H   1  22 VAL MG2 . . 4.700 3.697 3.697 3.697     . 0 0 "[ ]" 1 
       145 1  22 VAL H   1  23 LYS H   . . 2.860 2.582 2.582 2.582     . 0 0 "[ ]" 1 
       146 1  22 VAL HA  1  23 LYS H   . . 4.000 3.602 3.602 3.602     . 0 0 "[ ]" 1 
       147 1  22 VAL HA  1  25 PHE QB  . . 4.500 2.235 2.235 2.235     . 0 0 "[ ]" 1 
       148 1  22 VAL HA  1  38 LEU QD  . . 5.500 3.767 3.767 3.767     . 0 0 "[ ]" 1 
       149 1  22 VAL HA  1  53 ILE MD  . . 6.000 4.785 4.785 4.785     . 0 0 "[ ]" 1 
       150 1  22 VAL HB  1  23 LYS H   . . 4.000 3.862 3.862 3.862     . 0 0 "[ ]" 1 
       151 1  22 VAL HB  1  38 LEU QD  . . 5.000 3.569 3.569 3.569     . 0 0 "[ ]" 1 
       152 1  22 VAL QG  1  42 PHE HA  . . 6.000 4.414 4.414 4.414     . 0 0 "[ ]" 1 
       153 1  22 VAL QG  1  61 PHE QE  . . 4.000 2.644 2.644 2.644     . 0 0 "[ ]" 1 
       154 1  22 VAL MG1 1  23 LYS H   . . 3.770 2.038 2.038 2.038     . 0 0 "[ ]" 1 
       155 1  22 VAL MG1 1  24 ALA H   . . 6.000 4.263 4.263 4.263     . 0 0 "[ ]" 1 
       156 1  22 VAL MG2 1  23 LYS H   . . 5.500 3.835 3.835 3.835     . 0 0 "[ ]" 1 
       157 1  22 VAL MG2 1  24 ALA H   . . 6.500 5.187 5.187 5.187     . 0 0 "[ ]" 1 
       158 1  22 VAL O   1  26 VAL H   . . 2.000 1.937 1.937 1.937     . 0 0 "[ ]" 1 
       159 1  22 VAL O   1  26 VAL N   . . 3.000 2.911 2.911 2.911     . 0 0 "[ ]" 1 
       160 1  23 LYS H   1  23 LYS QB  . . 3.490 2.127 2.127 2.127     . 0 0 "[ ]" 1 
       161 1  23 LYS H   1  23 LYS QD  . . 5.000 4.571 4.571 4.571     . 0 0 "[ ]" 1 
       162 1  23 LYS H   1  23 LYS QE  . . 5.500 3.879 3.879 3.879     . 0 0 "[ ]" 1 
       163 1  23 LYS H   1  23 LYS QG  . . 4.080 2.745 2.745 2.745     . 0 0 "[ ]" 1 
       164 1  23 LYS HA  1  24 ALA H   . . 4.000 3.605 3.605 3.605     . 0 0 "[ ]" 1 
       165 1  23 LYS HA  1  26 VAL HB  . . 4.500 4.162 4.162 4.162     . 0 0 "[ ]" 1 
       166 1  23 LYS HA  1  27 SER H   . . 4.500 3.907 3.907 3.907     . 0 0 "[ ]" 1 
       167 1  23 LYS HA  1  34 ASN QB  . . 5.050 4.251 4.251 4.251     . 0 0 "[ ]" 1 
       168 1  23 LYS HA  1  38 LEU QB  . . 4.970 3.674 3.674 3.674     . 0 0 "[ ]" 1 
       169 1  23 LYS O   1  27 SER H   . . 2.000 1.905 1.905 1.905     . 0 0 "[ ]" 1 
       170 1  23 LYS O   1  27 SER N   . . 3.000 2.822 2.822 2.822     . 0 0 "[ ]" 1 
       171 1  24 ALA H   1  25 PHE H   . . 3.500 2.578 2.578 2.578     . 0 0 "[ ]" 1 
       172 1  24 ALA HA  1  25 PHE H   . . 4.000 3.606 3.606 3.606     . 0 0 "[ ]" 1 
       173 1  24 ALA HA  1  27 SER QB  . . 4.500 2.049 2.049 2.049     . 0 0 "[ ]" 1 
       174 1  24 ALA MB  1  25 PHE H   . . 4.500 2.614 2.614 2.614     . 0 0 "[ ]" 1 
       175 1  25 PHE H   1  25 PHE HB2 . . 4.000 2.140 2.140 2.140     . 0 0 "[ ]" 1 
       176 1  25 PHE H   1  25 PHE HB3 . . 4.000 2.594 2.594 2.594     . 0 0 "[ ]" 1 
       177 1  25 PHE H   1  26 VAL H   . . 3.050 3.016 3.016 3.016     . 0 0 "[ ]" 1 
       178 1  25 PHE HA  1  26 VAL H   . . 4.380 3.644 3.644 3.644     . 0 0 "[ ]" 1 
       179 1  25 PHE HA  1  28 LYS H   . . 5.000 3.695 3.695 3.695     . 0 0 "[ ]" 1 
       180 1  25 PHE HA  1  28 LYS QB  . . 4.500 3.026 3.026 3.026     . 0 0 "[ ]" 1 
       181 1  25 PHE HB2 1  26 VAL H   . . 3.480 3.474 3.474 3.474     . 0 0 "[ ]" 1 
       182 1  25 PHE HB3 1  26 VAL H   . . 3.480 2.025 2.025 2.025     . 0 0 "[ ]" 1 
       183 1  26 VAL H   1  26 VAL HB  . . 4.000 2.162 2.162 2.162     . 0 0 "[ ]" 1 
       184 1  26 VAL H   1  27 SER H   . . 3.210 2.646 2.646 2.646     . 0 0 "[ ]" 1 
       185 1  26 VAL HA  1  27 SER H   . . 5.340 3.600 3.600 3.600     . 0 0 "[ ]" 1 
       186 1  26 VAL HA  1  29 LYS QB  . . 4.500 3.049 3.049 3.049     . 0 0 "[ ]" 1 
       187 1  26 VAL HB  1  27 SER H   . . 4.000 3.710 3.710 3.710     . 0 0 "[ ]" 1 
       188 1  26 VAL MG1 1  27 SER H   . . 5.410 1.957 1.957 1.957     . 0 0 "[ ]" 1 
       189 1  26 VAL MG2 1  27 SER H   . . 5.500 4.035 4.035 4.035     . 0 0 "[ ]" 1 
       190 1  26 VAL MG2 1  30 ARG H   . . 6.000 3.948 3.948 3.948     . 0 0 "[ ]" 1 
       191 1  27 SER H   1  27 SER HB2 . . 4.000 2.436 2.436 2.436     . 0 0 "[ ]" 1 
       192 1  27 SER H   1  27 SER HB3 . . 4.000 2.516 2.516 2.516     . 0 0 "[ ]" 1 
       193 1  27 SER H   1  28 LYS H   . . 3.020 2.845 2.845 2.845     . 0 0 "[ ]" 1 
       194 1  27 SER HA  1  28 LYS H   . . 3.950 3.604 3.604 3.604     . 0 0 "[ ]" 1 
       195 1  27 SER HA  1  29 LYS H   . . 4.790 3.724 3.724 3.724     . 0 0 "[ ]" 1 
       196 1  27 SER HA  1  30 ARG H   . . 4.000 3.661 3.661 3.661     . 0 0 "[ ]" 1 
       197 1  27 SER HB2 1  28 LYS H   . . 5.500 3.955 3.955 3.955     . 0 0 "[ ]" 1 
       198 1  28 LYS H   1  28 LYS QB  . . 3.620 1.992 1.992 1.992     . 0 0 "[ ]" 1 
       199 1  28 LYS H   1  28 LYS QD  . . 5.000 3.913 3.913 3.913     . 0 0 "[ ]" 1 
       200 1  28 LYS H   1  28 LYS QG  . . 4.500 3.302 3.302 3.302     . 0 0 "[ ]" 1 
       201 1  28 LYS H   1  29 LYS H   . . 3.210 2.794 2.794 2.794     . 0 0 "[ ]" 1 
       202 1  28 LYS HA  1  29 LYS H   . . 5.500 3.544 3.544 3.544     . 0 0 "[ ]" 1 
       203 1  28 LYS QB  1  29 LYS H   . . 4.240 3.032 3.032 3.032     . 0 0 "[ ]" 1 
       204 1  29 LYS H   1  29 LYS HA  . . 3.080 2.865 2.865 2.865     . 0 0 "[ ]" 1 
       205 1  29 LYS H   1  30 ARG H   . . 3.120 2.952 2.952 2.952     . 0 0 "[ ]" 1 
       206 1  29 LYS HA  1  30 ARG H   . . 3.920 3.616 3.616 3.616     . 0 0 "[ ]" 1 
       207 1  29 LYS QB  1  30 ARG H   . . 4.180 1.923 1.923 1.923     . 0 0 "[ ]" 1 
       208 1  29 LYS QD  1  30 ARG H   . . 6.500 4.641 4.641 4.641     . 0 0 "[ ]" 1 
       209 1  29 LYS QG  1  30 ARG H   . . 5.500 3.728 3.728 3.728     . 0 0 "[ ]" 1 
       210 1  30 ARG H   1  30 ARG HB2 . . 4.000 2.807 2.807 2.807     . 0 0 "[ ]" 1 
       211 1  30 ARG H   1  30 ARG HB3 . . 4.000 3.839 3.839 3.839     . 0 0 "[ ]" 1 
       212 1  30 ARG H   1  30 ARG QD  . . 5.000 4.401 4.401 4.401     . 0 0 "[ ]" 1 
       213 1  30 ARG H   1  30 ARG HG2 . . 3.890 3.723 3.723 3.723     . 0 0 "[ ]" 1 
       214 1  30 ARG H   1  30 ARG HG3 . . 4.850 2.858 2.858 2.858     . 0 0 "[ ]" 1 
       215 1  30 ARG H   1  31 ALA H   . . 5.500 4.348 4.348 4.348     . 0 0 "[ ]" 1 
       216 1  30 ARG H   1  32 ILE H   . . 5.000 4.871 4.871 4.871     . 0 0 "[ ]" 1 
       217 1  30 ARG HA  1  31 ALA H   . . 4.000 2.809 2.809 2.809     . 0 0 "[ ]" 1 
       218 1  30 ARG HB2 1  31 ALA H   . . 3.020 2.893 2.893 2.893     . 0 0 "[ ]" 1 
       219 1  30 ARG HB3 1  31 ALA H   . . 2.710 2.015 2.015 2.015     . 0 0 "[ ]" 1 
       220 1  30 ARG HG2 1  31 ALA H   . . 5.500 4.270 4.270 4.270     . 0 0 "[ ]" 1 
       221 1  31 ALA H   1  31 ALA HA  . . 3.050 2.918 2.918 2.918     . 0 0 "[ ]" 1 
       222 1  31 ALA H   1  32 ILE H   . . 5.550 2.826 2.826 2.826     . 0 0 "[ ]" 1 
       223 1  31 ALA H   1  33 LYS H   . . 5.050 5.067 5.067 5.067 0.017 1 0 "[ ]" 1 
       224 1  31 ALA HA  1  32 ILE H   . . 2.650 2.669 2.669 2.669 0.019 1 0 "[ ]" 1 
       225 1  32 ILE H   1  32 ILE MD  . . 5.260 3.823 3.823 3.823     . 0 0 "[ ]" 1 
       226 1  32 ILE H   1  33 LYS H   . . 5.500 3.360 3.360 3.360     . 0 0 "[ ]" 1 
       227 1  32 ILE H   1  34 ASN H   . . 5.000 3.417 3.417 3.417     . 0 0 "[ ]" 1 
       228 1  32 ILE HA  1  33 LYS H   . . 3.530 2.670 2.670 2.670     . 0 0 "[ ]" 1 
       229 1  32 ILE MG  1  33 LYS H   . . 6.220 4.370 4.370 4.370     . 0 0 "[ ]" 1 
       230 1  33 LYS H   1  33 LYS QD  . . 6.000 5.003 5.003 5.003     . 0 0 "[ ]" 1 
       231 1  33 LYS H   1  33 LYS QE  . . 6.500 4.185 4.185 4.185     . 0 0 "[ ]" 1 
       232 1  33 LYS H   1  33 LYS HG2 . . 5.000 4.313 4.313 4.313     . 0 0 "[ ]" 1 
       233 1  33 LYS H   1  33 LYS HG3 . . 5.000 3.285 3.285 3.285     . 0 0 "[ ]" 1 
       234 1  33 LYS H   1  34 ASN H   . . 4.040 2.537 2.537 2.537     . 0 0 "[ ]" 1 
       235 1  33 LYS QB  1  34 ASN H   . . 5.110 3.960 3.960 3.960     . 0 0 "[ ]" 1 
       236 1  34 ASN H   1  34 ASN HB2 . . 4.000 3.540 3.540 3.540     . 0 0 "[ ]" 1 
       237 1  34 ASN H   1  34 ASN HB3 . . 2.800 2.391 2.391 2.391     . 0 0 "[ ]" 1 
       238 1  34 ASN HA  1  35 GLU H   . . 4.000 3.557 3.557 3.557     . 0 0 "[ ]" 1 
       239 1  34 ASN HA  1  37 LEU H   . . 4.000 3.745 3.745 3.745     . 0 0 "[ ]" 1 
       240 1  34 ASN O   1  38 LEU H   . . 2.000 1.765 1.765 1.765     . 0 0 "[ ]" 1 
       241 1  34 ASN O   1  38 LEU N   . . 3.000 2.687 2.687 2.687     . 0 0 "[ ]" 1 
       242 1  35 GLU H   1  35 GLU QG  . . 5.000 1.935 1.935 1.935     . 0 0 "[ ]" 1 
       243 1  35 GLU H   1  36 GLN H   . . 5.500 2.904 2.904 2.904     . 0 0 "[ ]" 1 
       244 1  35 GLU HA  1  36 GLN H   . . 4.000 3.638 3.638 3.638     . 0 0 "[ ]" 1 
       245 1  35 GLU HB2 1  36 GLN H   . . 4.110 3.464 3.464 3.464     . 0 0 "[ ]" 1 
       246 1  35 GLU O   1  39 GLN H   . . 2.000 2.014 2.014 2.014 0.014 1 0 "[ ]" 1 
       247 1  35 GLU O   1  39 GLN N   . . 3.000 2.980 2.980 2.980     . 0 0 "[ ]" 1 
       248 1  36 GLN H   1  36 GLN HB2 . . 3.580 2.315 2.315 2.315     . 0 0 "[ ]" 1 
       249 1  36 GLN H   1  36 GLN HB3 . . 2.770 2.689 2.689 2.689     . 0 0 "[ ]" 1 
       250 1  36 GLN H   1  36 GLN HG2 . . 4.560 4.520 4.520 4.520     . 0 0 "[ ]" 1 
       251 1  36 GLN H   1  36 GLN HG3 . . 4.580 4.277 4.277 4.277     . 0 0 "[ ]" 1 
       252 1  36 GLN H   1  37 LEU H   . . 3.240 2.743 2.743 2.743     . 0 0 "[ ]" 1 
       253 1  36 GLN HA  1  39 GLN QB  . . 4.500 2.415 2.415 2.415     . 0 0 "[ ]" 1 
       254 1  36 GLN HB2 1  37 LEU H   . . 4.500 3.519 3.519 3.519     . 0 0 "[ ]" 1 
       255 1  36 GLN HB3 1  37 LEU H   . . 4.000 2.209 2.209 2.209     . 0 0 "[ ]" 1 
       256 1  36 GLN HB3 1  38 LEU H   . . 5.000 5.026 5.026 5.026 0.026 1 0 "[ ]" 1 
       257 1  36 GLN O   1  40 LEU H   . . 2.000 1.977 1.977 1.977     . 0 0 "[ ]" 1 
       258 1  36 GLN O   1  40 LEU N   . . 3.000 2.876 2.876 2.876     . 0 0 "[ ]" 1 
       259 1  37 LEU H   1  37 LEU HB2 . . 2.590 2.006 2.006 2.006     . 0 0 "[ ]" 1 
       260 1  37 LEU H   1  37 LEU HB3 . . 4.000 3.116 3.116 3.116     . 0 0 "[ ]" 1 
       261 1  37 LEU H   1  37 LEU HG  . . 4.500 4.232 4.232 4.232     . 0 0 "[ ]" 1 
       262 1  37 LEU H   1  38 LEU H   . . 3.550 3.086 3.086 3.086     . 0 0 "[ ]" 1 
       263 1  37 LEU HA  1  38 LEU H   . . 3.910 3.635 3.635 3.635     . 0 0 "[ ]" 1 
       264 1  37 LEU HA  1  40 LEU QB  . . 4.500 2.961 2.961 2.961     . 0 0 "[ ]" 1 
       265 1  37 LEU HB2 1  38 LEU H   . . 4.500 3.297 3.297 3.297     . 0 0 "[ ]" 1 
       266 1  37 LEU HB3 1  38 LEU H   . . 4.580 2.500 2.500 2.500     . 0 0 "[ ]" 1 
       267 1  37 LEU HG  1  38 LEU H   . . 5.570 4.956 4.956 4.956     . 0 0 "[ ]" 1 
       268 1  37 LEU O   1  41 ILE H   . . 2.000 2.052 2.052 2.052 0.052 1 0 "[ ]" 1 
       269 1  37 LEU O   1  41 ILE N   . . 3.000 3.022 3.022 3.022 0.022 1 0 "[ ]" 1 
       270 1  38 LEU H   1  38 LEU HB2 . . 3.140 2.415 2.415 2.415     . 0 0 "[ ]" 1 
       271 1  38 LEU H   1  38 LEU HB3 . . 4.000 2.451 2.451 2.451     . 0 0 "[ ]" 1 
       272 1  38 LEU H   1  38 LEU MD1 . . 5.500 4.119 4.119 4.119     . 0 0 "[ ]" 1 
       273 1  38 LEU H   1  39 GLN H   . . 3.210 2.889 2.889 2.889     . 0 0 "[ ]" 1 
       274 1  38 LEU HA  1  39 GLN H   . . 4.000 3.636 3.636 3.636     . 0 0 "[ ]" 1 
       275 1  38 LEU HA  1  41 ILE H   . . 4.000 3.178 3.178 3.178     . 0 0 "[ ]" 1 
       276 1  38 LEU HA  1  41 ILE HB  . . 4.500 2.390 2.390 2.390     . 0 0 "[ ]" 1 
       277 1  38 LEU HB2 1  39 GLN H   . . 4.040 3.807 3.807 3.807     . 0 0 "[ ]" 1 
       278 1  38 LEU HB3 1  39 GLN H   . . 4.000 2.401 2.401 2.401     . 0 0 "[ ]" 1 
       279 1  38 LEU MD1 1  39 GLN H   . . 6.000 4.652 4.652 4.652     . 0 0 "[ ]" 1 
       280 1  38 LEU MD2 1  39 GLN H   . . 5.440 2.675 2.675 2.675     . 0 0 "[ ]" 1 
       281 1  38 LEU O   1  42 PHE H   . . 2.000 1.716 1.716 1.716     . 0 0 "[ ]" 1 
       282 1  38 LEU O   1  42 PHE N   . . 3.000 2.607 2.607 2.607     . 0 0 "[ ]" 1 
       283 1  39 GLN H   1  39 GLN HB2 . . 4.000 2.186 2.186 2.186     . 0 0 "[ ]" 1 
       284 1  39 GLN H   1  39 GLN HB3 . . 4.000 2.885 2.885 2.885     . 0 0 "[ ]" 1 
       285 1  39 GLN H   1  39 GLN QG  . . 4.550 3.780 3.780 3.780     . 0 0 "[ ]" 1 
       286 1  39 GLN H   1  40 LEU H   . . 3.240 3.001 3.001 3.001     . 0 0 "[ ]" 1 
       287 1  39 GLN HA  1  40 LEU H   . . 3.860 3.602 3.602 3.602     . 0 0 "[ ]" 1 
       288 1  39 GLN HA  1  42 PHE H   . . 4.000 3.955 3.955 3.955     . 0 0 "[ ]" 1 
       289 1  39 GLN HA  1  42 PHE QB  . . 4.500 2.703 2.703 2.703     . 0 0 "[ ]" 1 
       290 1  39 GLN HB2 1  40 LEU H   . . 4.000 3.757 3.757 3.757     . 0 0 "[ ]" 1 
       291 1  39 GLN HB3 1  40 LEU H   . . 4.000 2.694 2.694 2.694     . 0 0 "[ ]" 1 
       292 1  39 GLN O   1  43 LYS H   . . 2.000 2.035 2.035 2.035 0.035 1 0 "[ ]" 1 
       293 1  39 GLN O   1  43 LYS N   . . 3.000 3.014 3.014 3.014 0.014 1 0 "[ ]" 1 
       294 1  40 LEU H   1  40 LEU HB2 . . 3.410 2.646 2.646 2.646     . 0 0 "[ ]" 1 
       295 1  40 LEU H   1  40 LEU HB3 . . 3.430 2.268 2.268 2.268     . 0 0 "[ ]" 1 
       296 1  40 LEU H   1  40 LEU MD1 . . 5.500 4.188 4.188 4.188     . 0 0 "[ ]" 1 
       297 1  40 LEU H   1  40 LEU MD2 . . 5.500 4.083 4.083 4.083     . 0 0 "[ ]" 1 
       298 1  40 LEU H   1  40 LEU HG  . . 4.500 4.302 4.302 4.302     . 0 0 "[ ]" 1 
       299 1  40 LEU H   1  41 ILE H   . . 3.330 2.730 2.730 2.730     . 0 0 "[ ]" 1 
       300 1  40 LEU HA  1  41 ILE H   . . 4.000 3.636 3.636 3.636     . 0 0 "[ ]" 1 
       301 1  40 LEU HA  1  43 LYS QB  . . 4.500 3.069 3.069 3.069     . 0 0 "[ ]" 1 
       302 1  40 LEU HB2 1  41 ILE H   . . 4.000 3.899 3.899 3.899     . 0 0 "[ ]" 1 
       303 1  40 LEU HB3 1  41 ILE H   . . 4.500 2.482 2.482 2.482     . 0 0 "[ ]" 1 
       304 1  40 LEU O   1  44 SER H   . . 2.000 2.007 2.007 2.007 0.007 1 0 "[ ]" 1 
       305 1  40 LEU O   1  44 SER N   . . 3.000 2.786 2.786 2.786     . 0 0 "[ ]" 1 
       306 1  41 ILE H   1  41 ILE HB  . . 2.550 2.317 2.317 2.317     . 0 0 "[ ]" 1 
       307 1  41 ILE H   1  41 ILE MD  . . 5.250 3.275 3.275 3.275     . 0 0 "[ ]" 1 
       308 1  41 ILE H   1  41 ILE QG  . . 4.610 2.199 2.199 2.199     . 0 0 "[ ]" 1 
       309 1  41 ILE H   1  42 PHE H   . . 3.360 2.984 2.984 2.984     . 0 0 "[ ]" 1 
       310 1  41 ILE HA  1  44 SER QB  . . 4.500 2.229 2.229 2.229     . 0 0 "[ ]" 1 
       311 1  41 ILE HB  1  42 PHE H   . . 4.000 2.415 2.415 2.415     . 0 0 "[ ]" 1 
       312 1  41 ILE MD  1  42 PHE H   . . 5.260 4.280 4.280 4.280     . 0 0 "[ ]" 1 
       313 1  41 ILE MG  1  42 PHE H   . . 4.360 2.811 2.811 2.811     . 0 0 "[ ]" 1 
       314 1  41 ILE O   1  45 ILE H   . . 2.000 1.924 1.924 1.924     . 0 0 "[ ]" 1 
       315 1  41 ILE O   1  45 ILE N   . . 3.000 2.816 2.816 2.816     . 0 0 "[ ]" 1 
       316 1  42 PHE H   1  42 PHE HB3 . . 2.680 2.697 2.697 2.697 0.017 1 0 "[ ]" 1 
       317 1  42 PHE H   1  43 LYS H   . . 5.340 3.122 3.122 3.122     . 0 0 "[ ]" 1 
       318 1  42 PHE HA  1  45 ILE HB  . . 4.500 4.084 4.084 4.084     . 0 0 "[ ]" 1 
       319 1  42 PHE HB2 1  43 LYS H   . . 3.500 3.465 3.465 3.465     . 0 0 "[ ]" 1 
       320 1  42 PHE HB3 1  43 LYS H   . . 3.210 2.049 2.049 2.049     . 0 0 "[ ]" 1 
       321 1  43 LYS H   1  43 LYS HB2 . . 4.000 2.063 2.063 2.063     . 0 0 "[ ]" 1 
       322 1  43 LYS H   1  43 LYS HB3 . . 4.000 2.973 2.973 2.973     . 0 0 "[ ]" 1 
       323 1  43 LYS H   1  44 SER H   . . 3.050 2.712 2.712 2.712     . 0 0 "[ ]" 1 
       324 1  43 LYS HA  1  46 ASP H   . . 4.820 3.435 3.435 3.435     . 0 0 "[ ]" 1 
       325 1  43 LYS HB3 1  44 SER H   . . 5.500 3.151 3.151 3.151     . 0 0 "[ ]" 1 
       326 1  44 SER H   1  45 ILE H   . . 3.000 2.730 2.730 2.730     . 0 0 "[ ]" 1 
       327 1  44 SER HA  1  45 ILE H   . . 3.520 3.639 3.639 3.639 0.119 1 0 "[ ]" 1 
       328 1  44 SER QB  1  45 ILE H   . . 6.380 2.356 2.356 2.356     . 0 0 "[ ]" 1 
       329 1  45 ILE H   1  45 ILE HA  . . 3.140 2.835 2.835 2.835     . 0 0 "[ ]" 1 
       330 1  45 ILE H   1  45 ILE HB  . . 4.000 2.342 2.342 2.342     . 0 0 "[ ]" 1 
       331 1  45 ILE H   1  46 ASP H   . . 4.000 2.538 2.538 2.538     . 0 0 "[ ]" 1 
       332 1  45 ILE HA  1  46 ASP H   . . 5.500 3.600 3.600 3.600     . 0 0 "[ ]" 1 
       333 1  45 ILE HB  1  46 ASP H   . . 4.000 3.837 3.837 3.837     . 0 0 "[ ]" 1 
       334 1  45 ILE MG  1  46 ASP H   . . 5.810 2.093 2.093 2.093     . 0 0 "[ ]" 1 
       335 1  46 ASP CG  1  51 GLY H   . . 3.000 3.387 3.387 3.387 0.387 1 0 "[ ]" 1 
       336 1  46 ASP CG  3   1 CA  CA  . . 4.000 3.539 3.539 3.539     . 0 0 "[ ]" 1 
       337 1  46 ASP H   1  47 ALA H   . . 5.500 4.390 4.390 4.390     . 0 0 "[ ]" 1 
       338 1  46 ASP HA  1  47 ALA H   . . 2.550 2.266 2.266 2.266     . 0 0 "[ ]" 1 
       339 1  46 ASP HA  1  48 ASP H   . . 4.140 3.821 3.821 3.821     . 0 0 "[ ]" 1 
       340 1  46 ASP QB  1  47 ALA H   . . 5.500 3.946 3.946 3.946     . 0 0 "[ ]" 1 
       341 1  47 ALA H   1  47 ALA MB  . . 3.430 2.203 2.203 2.203     . 0 0 "[ ]" 1 
       342 1  47 ALA H   1  48 ASP H   . . 2.550 2.336 2.336 2.336     . 0 0 "[ ]" 1 
       343 1  47 ALA HA  1  48 ASP H   . . 4.000 3.610 3.610 3.610     . 0 0 "[ ]" 1 
       344 1  47 ALA MB  1  48 ASP H   . . 4.000 2.562 2.562 2.562     . 0 0 "[ ]" 1 
       345 1  48 ASP CG  3   1 CA  CA  . . 4.000 3.644 3.644 3.644     . 0 0 "[ ]" 1 
       346 1  48 ASP H   1  48 ASP HA  . . 3.020 2.791 2.791 2.791     . 0 0 "[ ]" 1 
       347 1  48 ASP H   1  48 ASP HB2 . . 3.390 3.493 3.493 3.493 0.103 1 0 "[ ]" 1 
       348 1  48 ASP H   1  48 ASP HB3 . . 3.020 2.881 2.881 2.881     . 0 0 "[ ]" 1 
       349 1  48 ASP HA  1  49 GLY H   . . 4.000 3.655 3.655 3.655     . 0 0 "[ ]" 1 
       350 1  49 GLY H   1  51 GLY H   . . 4.570 3.828 3.828 3.828     . 0 0 "[ ]" 1 
       351 1  49 GLY QA  1  50 ASN H   . . 3.900 2.808 2.808 2.808     . 0 0 "[ ]" 1 
       352 1  49 GLY QA  1  51 GLY H   . . 5.040 2.869 2.869 2.869     . 0 0 "[ ]" 1 
       353 1  50 ASN H   1  50 ASN HA  . . 3.080 2.814 2.814 2.814     . 0 0 "[ ]" 1 
       354 1  50 ASN H   1  50 ASN HB2 . . 3.390 3.529 3.529 3.529 0.139 1 0 "[ ]" 1 
       355 1  50 ASN H   1  50 ASN HB3 . . 2.900 2.806 2.806 2.806     . 0 0 "[ ]" 1 
       356 1  50 ASN H   1  51 GLY H   . . 2.830 2.494 2.494 2.494     . 0 0 "[ ]" 1 
       357 1  50 ASN HB2 1  51 GLY H   . . 5.500 4.108 4.108 4.108     . 0 0 "[ ]" 1 
       358 1  50 ASN HB3 1  51 GLY H   . . 5.220 4.409 4.409 4.409     . 0 0 "[ ]" 1 
       359 1  50 ASN OD1 3   1 CA  CA  . . 2.800 2.806 2.806 2.806 0.006 1 0 "[ ]" 1 
       360 1  51 GLY H   1  51 GLY HA2 . . 2.860 2.288 2.288 2.288     . 0 0 "[ ]" 1 
       361 1  51 GLY H   1  51 GLY HA3 . . 2.800 2.898 2.898 2.898 0.098 1 0 "[ ]" 1 
       362 1  51 GLY H   1  52 GLU H   . . 3.080 2.649 2.649 2.649     . 0 0 "[ ]" 1 
       363 1  51 GLY HA2 1  52 GLU H   . . 4.000 3.436 3.436 3.436     . 0 0 "[ ]" 1 
       364 1  51 GLY HA3 1  52 GLU H   . . 3.520 3.262 3.262 3.262     . 0 0 "[ ]" 1 
       365 1  52 GLU H   1  52 GLU HA  . . 3.080 2.914 2.914 2.914     . 0 0 "[ ]" 1 
       366 1  52 GLU H   1  52 GLU HB2 . . 2.620 2.630 2.630 2.630 0.010 1 0 "[ ]" 1 
       367 1  52 GLU HA  1  53 ILE H   . . 4.000 2.368 2.368 2.368     . 0 0 "[ ]" 1 
       368 1  52 GLU HB3 1  53 ILE H   . . 5.000 2.782 2.782 2.782     . 0 0 "[ ]" 1 
       369 1  52 GLU O   3   1 CA  CA  . . 2.800 2.806 2.806 2.806 0.006 1 0 "[ ]" 1 
       370 1  53 ILE H   1  53 ILE HA  . . 2.860 2.931 2.931 2.931 0.071 1 0 "[ ]" 1 
       371 1  53 ILE H   1  53 ILE HB  . . 3.650 3.659 3.659 3.659 0.009 1 0 "[ ]" 1 
       372 1  53 ILE HA  1  54 ASP H   . . 3.490 2.653 2.653 2.653     . 0 0 "[ ]" 1 
       373 1  53 ILE QG  1  54 ASP H   . . 5.500 4.134 4.134 4.134     . 0 0 "[ ]" 1 
       374 1  53 ILE MG  1  54 ASP H   . . 4.000 3.278 3.278 3.278     . 0 0 "[ ]" 1 
       375 1  54 ASP H   1  54 ASP HB2 . . 3.670 3.671 3.671 3.671 0.001 1 0 "[ ]" 1 
       376 1  54 ASP H   1  54 ASP HB3 . . 3.240 3.245 3.245 3.245 0.005 1 0 "[ ]" 1 
       377 1  54 ASP HA  1  55 GLN H   . . 3.500 2.759 2.759 2.759     . 0 0 "[ ]" 1 
       378 1  54 ASP HB2 1  55 GLN H   . . 4.000 1.947 1.947 1.947     . 0 0 "[ ]" 1 
       379 1  54 ASP HB3 1  55 GLN H   . . 4.000 3.426 3.426 3.426     . 0 0 "[ ]" 1 
       380 1  54 ASP OD1 1  57 GLU H   . . 2.100 1.692 1.692 1.692     . 0 0 "[ ]" 1 
       381 1  55 GLN H   1  55 GLN HB2 . . 3.490 3.544 3.544 3.544 0.054 1 0 "[ ]" 1 
       382 1  55 GLN H   1  55 GLN HB3 . . 3.860 2.431 2.431 2.431     . 0 0 "[ ]" 1 
       383 1  55 GLN H   1  55 GLN QG  . . 3.710 2.156 2.156 2.156     . 0 0 "[ ]" 1 
       384 1  55 GLN H   1  56 ASN H   . . 3.210 2.718 2.718 2.718     . 0 0 "[ ]" 1 
       385 1  55 GLN H   1  57 GLU H   . . 5.500 4.656 4.656 4.656     . 0 0 "[ ]" 1 
       386 1  55 GLN HA  1  58 PHE QB  . . 4.500 2.153 2.153 2.153     . 0 0 "[ ]" 1 
       387 1  55 GLN QB  1  58 PHE H   . . 5.500 4.801 4.801 4.801     . 0 0 "[ ]" 1 
       388 1  55 GLN O   1  59 ALA H   . . 2.000 1.808 1.808 1.808     . 0 0 "[ ]" 1 
       389 1  55 GLN O   1  59 ALA N   . . 3.000 2.693 2.693 2.693     . 0 0 "[ ]" 1 
       390 1  56 ASN H   1  56 ASN HA  . . 2.830 2.756 2.756 2.756     . 0 0 "[ ]" 1 
       391 1  56 ASN H   1  56 ASN HB2 . . 3.000 2.192 2.192 2.192     . 0 0 "[ ]" 1 
       392 1  56 ASN H   1  56 ASN HB3 . . 3.680 3.475 3.475 3.475     . 0 0 "[ ]" 1 
       393 1  56 ASN H   1  57 GLU H   . . 3.010 2.836 2.836 2.836     . 0 0 "[ ]" 1 
       394 1  56 ASN HA  1  57 GLU H   . . 4.000 3.655 3.655 3.655     . 0 0 "[ ]" 1 
       395 1  56 ASN HA  1  59 ALA MB  . . 4.500 2.777 2.777 2.777     . 0 0 "[ ]" 1 
       396 1  56 ASN HB2 1  57 GLU H   . . 4.000 2.370 2.370 2.370     . 0 0 "[ ]" 1 
       397 1  56 ASN HB3 1  57 GLU H   . . 4.000 2.896 2.896 2.896     . 0 0 "[ ]" 1 
       398 1  56 ASN O   1  60 LYS H   . . 2.000 1.997 1.997 1.997     . 0 0 "[ ]" 1 
       399 1  56 ASN O   1  60 LYS N   . . 3.000 2.980 2.980 2.980     . 0 0 "[ ]" 1 
       400 1  57 GLU H   1  57 GLU HA  . . 3.020 2.755 2.755 2.755     . 0 0 "[ ]" 1 
       401 1  57 GLU H   1  57 GLU QB  . . 3.680 2.161 2.161 2.161     . 0 0 "[ ]" 1 
       402 1  57 GLU H   1  57 GLU QG  . . 4.500 2.678 2.678 2.678     . 0 0 "[ ]" 1 
       403 1  57 GLU H   1  58 PHE H   . . 3.450 2.675 2.675 2.675     . 0 0 "[ ]" 1 
       404 1  57 GLU HA  1  58 PHE H   . . 4.000 3.546 3.546 3.546     . 0 0 "[ ]" 1 
       405 1  57 GLU HA  1  60 LYS QB  . . 4.500 2.760 2.760 2.760     . 0 0 "[ ]" 1 
       406 1  57 GLU QB  1  58 PHE H   . . 4.730 2.938 2.938 2.938     . 0 0 "[ ]" 1 
       407 1  57 GLU O   1  61 PHE H   . . 2.000 1.940 1.940 1.940     . 0 0 "[ ]" 1 
       408 1  57 GLU O   1  61 PHE N   . . 3.000 2.708 2.708 2.708     . 0 0 "[ ]" 1 
       409 1  57 GLU OE1 3   1 CA  CA  . . 2.800 2.768 2.768 2.768     . 0 0 "[ ]" 1 
       410 1  57 GLU OE2 3   1 CA  CA  . . 2.800 2.805 2.805 2.805 0.005 1 0 "[ ]" 1 
       411 1  58 PHE H   1  58 PHE HB3 . . 4.000 2.471 2.471 2.471     . 0 0 "[ ]" 1 
       412 1  58 PHE H   1  59 ALA H   . . 3.270 2.574 2.574 2.574     . 0 0 "[ ]" 1 
       413 1  58 PHE HA  1  59 ALA H   . . 4.000 3.603 3.603 3.603     . 0 0 "[ ]" 1 
       414 1  58 PHE HA  1  61 PHE QB  . . 4.500 1.988 1.988 1.988     . 0 0 "[ ]" 1 
       415 1  58 PHE HB2 1  59 ALA H   . . 4.000 3.725 3.725 3.725     . 0 0 "[ ]" 1 
       416 1  58 PHE O   1  62 TYR H   . . 2.000 1.926 1.926 1.926     . 0 0 "[ ]" 1 
       417 1  58 PHE O   1  62 TYR N   . . 3.000 2.777 2.777 2.777     . 0 0 "[ ]" 1 
       418 1  59 ALA H   1  59 ALA MB  . . 3.430 2.107 2.107 2.107     . 0 0 "[ ]" 1 
       419 1  59 ALA H   1  60 LYS H   . . 3.170 2.659 2.659 2.659     . 0 0 "[ ]" 1 
       420 1  59 ALA HA  1  62 TYR H   . . 4.500 3.412 3.412 3.412     . 0 0 "[ ]" 1 
       421 1  59 ALA HA  1  62 TYR QB  . . 4.500 2.670 2.670 2.670     . 0 0 "[ ]" 1 
       422 1  59 ALA MB  1  60 LYS H   . . 5.500 2.541 2.541 2.541     . 0 0 "[ ]" 1 
       423 1  59 ALA MB  1  62 TYR H   . . 6.000 4.552 4.552 4.552     . 0 0 "[ ]" 1 
       424 1  60 LYS H   1  60 LYS HA  . . 2.900 2.833 2.833 2.833     . 0 0 "[ ]" 1 
       425 1  60 LYS H   1  60 LYS QD  . . 5.500 4.458 4.458 4.458     . 0 0 "[ ]" 1 
       426 1  60 LYS H   1  60 LYS QG  . . 5.000 2.927 2.927 2.927     . 0 0 "[ ]" 1 
       427 1  60 LYS H   1  61 PHE H   . . 3.320 2.499 2.499 2.499     . 0 0 "[ ]" 1 
       428 1  60 LYS HA  1  61 PHE H   . . 4.000 3.544 3.544 3.544     . 0 0 "[ ]" 1 
       429 1  60 LYS QB  1  61 PHE H   . . 5.000 2.999 2.999 2.999     . 0 0 "[ ]" 1 
       430 1  61 PHE H   1  61 PHE HB2 . . 4.000 2.648 2.648 2.648     . 0 0 "[ ]" 1 
       431 1  61 PHE H   1  62 TYR H   . . 3.500 2.559 2.559 2.559     . 0 0 "[ ]" 1 
       432 1  62 TYR H   1  62 TYR HB2 . . 4.000 1.947 1.947 1.947     . 0 0 "[ ]" 1 
       433 1  63 GLY H   1  64 SER H   . . 3.500 3.007 3.007 3.007     . 0 0 "[ ]" 1 
       434 1  63 GLY HA2 1  64 SER H   . . 4.000 3.616 3.616 3.616     . 0 0 "[ ]" 1 
       435 1  63 GLY HA3 1  65 ILE H   . . 4.500 4.429 4.429 4.429     . 0 0 "[ ]" 1 
       436 1  64 SER H   1  64 SER HB2 . . 4.000 3.116 3.116 3.116     . 0 0 "[ ]" 1 
       437 1  64 SER H   1  64 SER HB3 . . 4.000 3.702 3.702 3.702     . 0 0 "[ ]" 1 
       438 1  64 SER HA  1  65 ILE H   . . 4.000 3.646 3.646 3.646     . 0 0 "[ ]" 1 
       439 1  65 ILE H   1  65 ILE HB  . . 4.000 2.706 2.706 2.706     . 0 0 "[ ]" 1 
       440 1  65 ILE H   1  66 GLN H   . . 3.110 2.632 2.632 2.632     . 0 0 "[ ]" 1 
       441 1  65 ILE HA  1  66 GLN H   . . 4.000 3.620 3.620 3.620     . 0 0 "[ ]" 1 
       442 1  66 GLN H   1  66 GLN QG  . . 4.520 4.106 4.106 4.106     . 0 0 "[ ]" 1 
       443 1  66 GLN HA  1  67 GLY H   . . 5.000 2.469 2.469 2.469     . 0 0 "[ ]" 1 
       444 1  68 GLN H   1  68 GLN HG2 . . 4.710 3.522 3.522 3.522     . 0 0 "[ ]" 1 
       445 1  68 GLN H   1  68 GLN HG3 . . 4.500 2.181 2.181 2.181     . 0 0 "[ ]" 1 
       446 1  68 GLN HA  1  69 ASP H   . . 4.010 2.204 2.204 2.204     . 0 0 "[ ]" 1 
       447 1  68 GLN HG3 1  69 ASP H   . . 5.500 4.806 4.806 4.806     . 0 0 "[ ]" 1 
       448 1  69 ASP H   1  69 ASP HB2 . . 3.730 2.159 2.159 2.159     . 0 0 "[ ]" 1 
       449 1  69 ASP H   1  69 ASP HB3 . . 4.200 2.976 2.976 2.976     . 0 0 "[ ]" 1 
       450 1  69 ASP HA  1  70 LEU H   . . 4.000 3.655 3.655 3.655     . 0 0 "[ ]" 1 
       451 1  69 ASP HB3 1  70 LEU H   . . 4.970 2.213 2.213 2.213     . 0 0 "[ ]" 1 
       452 1  70 LEU H   1  70 LEU HB2 . . 3.510 2.931 2.931 2.931     . 0 0 "[ ]" 1 
       453 1  70 LEU H   1  70 LEU HB3 . . 4.030 3.780 3.780 3.780     . 0 0 "[ ]" 1 
       454 1  70 LEU H   1  70 LEU HG  . . 5.200 4.152 4.152 4.152     . 0 0 "[ ]" 1 
       455 1  71 SER H   1  72 ASP H   . . 4.000 2.661 2.661 2.661     . 0 0 "[ ]" 1 
       456 1  71 SER HA  1  72 ASP H   . . 4.000 3.579 3.579 3.579     . 0 0 "[ ]" 1 
       457 1  71 SER O   1  75 ILE H   . . 2.000 1.897 1.897 1.897     . 0 0 "[ ]" 1 
       458 1  71 SER O   1  75 ILE N   . . 3.000 2.860 2.860 2.860     . 0 0 "[ ]" 1 
       459 1  72 ASP H   1  72 ASP HB2 . . 4.000 2.290 2.290 2.290     . 0 0 "[ ]" 1 
       460 1  72 ASP H   1  72 ASP HB3 . . 4.000 2.632 2.632 2.632     . 0 0 "[ ]" 1 
       461 1  72 ASP H   1  73 ASP H   . . 3.500 2.654 2.654 2.654     . 0 0 "[ ]" 1 
       462 1  72 ASP HA  1  73 ASP H   . . 3.500 3.563 3.563 3.563 0.063 1 0 "[ ]" 1 
       463 1  72 ASP HA  1  75 ILE HB  . . 4.500 3.828 3.828 3.828     . 0 0 "[ ]" 1 
       464 1  73 ASP H   1  74 LYS H   . . 3.500 2.448 2.448 2.448     . 0 0 "[ ]" 1 
       465 1  73 ASP HA  1  74 LYS H   . . 3.500 3.559 3.559 3.559 0.059 1 0 "[ ]" 1 
       466 1  74 LYS H   1  74 LYS HB2 . . 4.000 2.183 2.183 2.183     . 0 0 "[ ]" 1 
       467 1  74 LYS H   1  74 LYS HB3 . . 4.000 3.470 3.470 3.470     . 0 0 "[ ]" 1 
       468 1  74 LYS H   1  74 LYS QD  . . 5.540 2.515 2.515 2.515     . 0 0 "[ ]" 1 
       469 1  74 LYS H   1  75 ILE H   . . 3.110 2.637 2.637 2.637     . 0 0 "[ ]" 1 
       470 1  74 LYS HA  1  75 ILE H   . . 3.510 3.635 3.635 3.635 0.125 1 0 "[ ]" 1 
       471 1  74 LYS HA  1  77 LEU QB  . . 4.500 2.330 2.330 2.330     . 0 0 "[ ]" 1 
       472 1  74 LYS QB  1  78 LYS H   . . 5.790 4.868 4.868 4.868     . 0 0 "[ ]" 1 
       473 1  74 LYS QB  1 130 LEU HG  . . 5.000 4.148 4.148 4.148     . 0 0 "[ ]" 1 
       474 1  74 LYS O   1  78 LYS H   . . 2.000 2.003 2.003 2.003 0.003 1 0 "[ ]" 1 
       475 1  74 LYS O   1  78 LYS N   . . 3.000 2.959 2.959 2.959     . 0 0 "[ ]" 1 
       476 1  75 ILE H   1  75 ILE HB  . . 4.000 2.255 2.255 2.255     . 0 0 "[ ]" 1 
       477 1  75 ILE H   1  76 GLY H   . . 3.200 2.678 2.678 2.678     . 0 0 "[ ]" 1 
       478 1  75 ILE HA  1  76 GLY H   . . 3.500 3.575 3.575 3.575 0.075 1 0 "[ ]" 1 
       479 1  75 ILE HA  1  78 LYS QB  . . 4.500 3.910 3.910 3.910     . 0 0 "[ ]" 1 
       480 1  75 ILE HB  1  76 GLY H   . . 4.010 3.903 3.903 3.903     . 0 0 "[ ]" 1 
       481 1  75 ILE O   1  79 VAL H   . . 2.000 2.004 2.004 2.004 0.004 1 0 "[ ]" 1 
       482 1  75 ILE O   1  79 VAL N   . . 3.000 2.914 2.914 2.914     . 0 0 "[ ]" 1 
       483 1  76 GLY H   1  77 LEU H   . . 3.300 2.517 2.517 2.517     . 0 0 "[ ]" 1 
       484 1  76 GLY H   1  78 LYS H   . . 5.500 4.258 4.258 4.258     . 0 0 "[ ]" 1 
       485 1  76 GLY QA  1  77 LEU H   . . 3.500 2.864 2.864 2.864     . 0 0 "[ ]" 1 
       486 1  76 GLY QA  1  79 VAL HB  . . 4.500 2.208 2.208 2.208     . 0 0 "[ ]" 1 
       487 1  76 GLY O   1  80 LEU H   . . 2.000 1.875 1.875 1.875     . 0 0 "[ ]" 1 
       488 1  76 GLY O   1  80 LEU N   . . 3.000 2.862 2.862 2.862     . 0 0 "[ ]" 1 
       489 1  77 LEU H   1  77 LEU HB2 . . 4.000 2.013 2.013 2.013     . 0 0 "[ ]" 1 
       490 1  77 LEU H   1  77 LEU HB3 . . 4.000 3.282 3.282 3.282     . 0 0 "[ ]" 1 
       491 1  77 LEU H   1  77 LEU MD1 . . 5.000 3.803 3.803 3.803     . 0 0 "[ ]" 1 
       492 1  77 LEU H   1  77 LEU MD2 . . 5.000 4.140 4.140 4.140     . 0 0 "[ ]" 1 
       493 1  77 LEU H   1  77 LEU HG  . . 4.500 3.384 3.384 3.384     . 0 0 "[ ]" 1 
       494 1  77 LEU H   1  78 LYS H   . . 3.110 2.622 2.622 2.622     . 0 0 "[ ]" 1 
       495 1  77 LEU HA  1  78 LYS H   . . 3.510 3.617 3.617 3.617 0.107 1 0 "[ ]" 1 
       496 1  77 LEU HA  1  80 LEU H   . . 4.000 3.581 3.581 3.581     . 0 0 "[ ]" 1 
       497 1  77 LEU HA  1  80 LEU QB  . . 4.500 2.880 2.880 2.880     . 0 0 "[ ]" 1 
       498 1  77 LEU HA  1  81 TYR H   . . 5.500 3.873 3.873 3.873     . 0 0 "[ ]" 1 
       499 1  77 LEU QB  1  78 LYS H   . . 4.880 2.703 2.703 2.703     . 0 0 "[ ]" 1 
       500 1  77 LEU HG  1  78 LYS H   . . 5.500 5.018 5.018 5.018     . 0 0 "[ ]" 1 
       501 1  77 LEU HG  1 101 PHE HZ  . . 6.000 5.113 5.113 5.113     . 0 0 "[ ]" 1 
       502 1  77 LEU O   1  81 TYR H   . . 2.000 1.888 1.888 1.888     . 0 0 "[ ]" 1 
       503 1  77 LEU O   1  81 TYR N   . . 3.000 2.880 2.880 2.880     . 0 0 "[ ]" 1 
       504 1  78 LYS H   1  78 LYS QB  . . 3.830 2.508 2.508 2.508     . 0 0 "[ ]" 1 
       505 1  78 LYS H   1  78 LYS QG  . . 4.500 1.934 1.934 1.934     . 0 0 "[ ]" 1 
       506 1  78 LYS H   1  79 VAL H   . . 3.140 2.571 2.571 2.571     . 0 0 "[ ]" 1 
       507 1  78 LYS HA  1  79 VAL H   . . 3.540 3.586 3.586 3.586 0.046 1 0 "[ ]" 1 
       508 1  78 LYS HA  1  81 TYR H   . . 4.000 3.575 3.575 3.575     . 0 0 "[ ]" 1 
       509 1  78 LYS HA  1  81 TYR QB  . . 4.500 2.300 2.300 2.300     . 0 0 "[ ]" 1 
       510 1  78 LYS QB  1  79 VAL H   . . 4.110 3.548 3.548 3.548     . 0 0 "[ ]" 1 
       511 1  78 LYS O   1  82 LYS H   . . 2.000 1.933 1.933 1.933     . 0 0 "[ ]" 1 
       512 1  78 LYS O   1  82 LYS N   . . 3.000 2.730 2.730 2.730     . 0 0 "[ ]" 1 
       513 1  79 VAL H   1  79 VAL HB  . . 3.890 1.970 1.970 1.970     . 0 0 "[ ]" 1 
       514 1  79 VAL H   1  80 LEU H   . . 3.050 2.787 2.787 2.787     . 0 0 "[ ]" 1 
       515 1  79 VAL HA  1  80 LEU H   . . 3.550 3.632 3.632 3.632 0.082 1 0 "[ ]" 1 
       516 1  79 VAL HA  1  82 LYS H   . . 4.000 3.490 3.490 3.490     . 0 0 "[ ]" 1 
       517 1  79 VAL HA  1  82 LYS QB  . . 4.500 2.445 2.445 2.445     . 0 0 "[ ]" 1 
       518 1  79 VAL HA  1  83 LEU H   . . 5.500 4.335 4.335 4.335     . 0 0 "[ ]" 1 
       519 1  79 VAL HB  1  80 LEU H   . . 3.020 2.940 2.940 2.940     . 0 0 "[ ]" 1 
       520 1  79 VAL MG1 1  80 LEU H   . . 3.860 2.196 2.196 2.196     . 0 0 "[ ]" 1 
       521 1  79 VAL MG1 1  82 LYS H   . . 6.000 4.487 4.487 4.487     . 0 0 "[ ]" 1 
       522 1  79 VAL O   1  83 LEU H   . . 2.000 2.004 2.004 2.004 0.004 1 0 "[ ]" 1 
       523 1  79 VAL O   1  83 LEU N   . . 3.000 2.790 2.790 2.790     . 0 0 "[ ]" 1 
       524 1  80 LEU H   1  80 LEU HB2 . . 4.000 1.999 1.999 1.999     . 0 0 "[ ]" 1 
       525 1  80 LEU H   1  80 LEU HB3 . . 4.000 3.284 3.284 3.284     . 0 0 "[ ]" 1 
       526 1  80 LEU H   1  80 LEU HG  . . 5.000 3.527 3.527 3.527     . 0 0 "[ ]" 1 
       527 1  80 LEU H   1  81 TYR H   . . 3.510 2.869 2.869 2.869     . 0 0 "[ ]" 1 
       528 1  80 LEU HA  1  81 TYR H   . . 3.510 3.638 3.638 3.638 0.128 1 0 "[ ]" 1 
       529 1  80 LEU HA  1  83 LEU QB  . . 4.500 2.555 2.555 2.555     . 0 0 "[ ]" 1 
       530 1  80 LEU QB  1  81 TYR H   . . 2.830 2.511 2.511 2.511     . 0 0 "[ ]" 1 
       531 1  80 LEU HB2 1  81 TYR H   . . 3.300 2.911 2.911 2.911     . 0 0 "[ ]" 1 
       532 1  80 LEU HB3 1  81 TYR H   . . 3.300 2.742 2.742 2.742     . 0 0 "[ ]" 1 
       533 1  80 LEU HG  1  83 LEU H   . . 5.500 5.215 5.215 5.215     . 0 0 "[ ]" 1 
       534 1  80 LEU O   1  84 MET H   . . 2.000 1.804 1.804 1.804     . 0 0 "[ ]" 1 
       535 1  80 LEU O   1  84 MET N   . . 3.000 2.762 2.762 2.762     . 0 0 "[ ]" 1 
       536 1  81 TYR H   1  82 LYS H   . . 2.990 2.810 2.810 2.810     . 0 0 "[ ]" 1 
       537 1  81 TYR HA  1  82 LYS H   . . 3.500 3.568 3.568 3.568 0.068 1 0 "[ ]" 1 
       538 1  81 TYR HA  1  84 MET QB  . . 4.500 2.612 2.612 2.612     . 0 0 "[ ]" 1 
       539 1  81 TYR QB  1  82 LYS H   . . 3.580 2.778 2.778 2.778     . 0 0 "[ ]" 1 
       540 1  81 TYR QB  1  83 LEU H   . . 5.380 4.680 4.680 4.680     . 0 0 "[ ]" 1 
       541 1  82 LYS H   1  82 LYS HA  . . 3.000 2.854 2.854 2.854     . 0 0 "[ ]" 1 
       542 1  82 LYS H   1  82 LYS QB  . . 3.800 2.123 2.123 2.123     . 0 0 "[ ]" 1 
       543 1  82 LYS H   1  82 LYS QD  . . 6.000 3.571 3.571 3.571     . 0 0 "[ ]" 1 
       544 1  82 LYS H   1  82 LYS QG  . . 5.000 4.024 4.024 4.024     . 0 0 "[ ]" 1 
       545 1  82 LYS H   1  83 LEU H   . . 2.680 2.429 2.429 2.429     . 0 0 "[ ]" 1 
       546 1  82 LYS HA  1  83 LEU H   . . 3.500 3.558 3.558 3.558 0.058 1 0 "[ ]" 1 
       547 1  82 LYS HA  1  85 ASP H   . . 4.500 3.842 3.842 3.842     . 0 0 "[ ]" 1 
       548 1  82 LYS QB  1  83 LEU H   . . 5.380 3.007 3.007 3.007     . 0 0 "[ ]" 1 
       549 1  82 LYS QD  1  84 MET H   . . 5.250 4.718 4.718 4.718     . 0 0 "[ ]" 1 
       550 1  82 LYS QG  1  83 LEU H   . . 6.310 4.143 4.143 4.143     . 0 0 "[ ]" 1 
       551 1  83 LEU H   1  83 LEU HG  . . 5.050 4.382 4.382 4.382     . 0 0 "[ ]" 1 
       552 1  83 LEU H   1  84 MET H   . . 3.400 2.598 2.598 2.598     . 0 0 "[ ]" 1 
       553 1  83 LEU HA  1  84 MET H   . . 4.000 3.624 3.624 3.624     . 0 0 "[ ]" 1 
       554 1  83 LEU QB  1  84 MET H   . . 5.380 2.490 2.490 2.490     . 0 0 "[ ]" 1 
       555 1  84 MET H   1  84 MET QG  . . 5.000 2.640 2.640 2.640     . 0 0 "[ ]" 1 
       556 1  84 MET HA  1  85 ASP H   . . 4.030 3.644 3.644 3.644     . 0 0 "[ ]" 1 
       557 1  84 MET QB  1  85 ASP H   . . 4.530 2.316 2.316 2.316     . 0 0 "[ ]" 1 
       558 1  84 MET QG  1  85 ASP H   . . 4.830 4.176 4.176 4.176     . 0 0 "[ ]" 1 
       559 1  85 ASP CG  1  90 GLY H   . . 3.000 3.407 3.407 3.407 0.407 1 0 "[ ]" 1 
       560 1  85 ASP CG  4   1 CA  CA  . . 4.000 3.995 3.995 3.995     . 0 0 "[ ]" 1 
       561 1  85 ASP H   1  85 ASP QB  . . 3.690 2.190 2.190 2.190     . 0 0 "[ ]" 1 
       562 1  85 ASP H   1  86 VAL H   . . 4.200 4.245 4.245 4.245 0.045 1 0 "[ ]" 1 
       563 1  85 ASP HA  1  86 VAL H   . . 4.000 2.324 2.324 2.324     . 0 0 "[ ]" 1 
       564 1  85 ASP HB2 1  86 VAL H   . . 4.500 4.586 4.586 4.586 0.086 1 0 "[ ]" 1 
       565 1  85 ASP HB3 1  86 VAL H   . . 4.500 4.546 4.546 4.546 0.046 1 0 "[ ]" 1 
       566 1  86 VAL H   1  86 VAL HB  . . 4.000 2.753 2.753 2.753     . 0 0 "[ ]" 1 
       567 1  86 VAL H   1  87 ASP H   . . 4.200 2.145 2.145 2.145     . 0 0 "[ ]" 1 
       568 1  86 VAL HA  1  87 ASP H   . . 3.500 3.332 3.332 3.332     . 0 0 "[ ]" 1 
       569 1  86 VAL HB  1  87 ASP H   . . 4.500 4.327 4.327 4.327     . 0 0 "[ ]" 1 
       570 1  86 VAL QG  1  87 ASP H   . . 5.500 2.814 2.814 2.814     . 0 0 "[ ]" 1 
       571 1  87 ASP CG  4   1 CA  CA  . . 4.000 3.987 3.987 3.987     . 0 0 "[ ]" 1 
       572 1  87 ASP H   1  88 GLY H   . . 4.000 2.385 2.385 2.385     . 0 0 "[ ]" 1 
       573 1  87 ASP HA  1  88 GLY H   . . 4.000 3.558 3.558 3.558     . 0 0 "[ ]" 1 
       574 1  87 ASP QB  1  88 GLY H   . . 4.500 3.535 3.535 3.535     . 0 0 "[ ]" 1 
       575 1  88 GLY H   1  89 ASP H   . . 4.000 2.810 2.810 2.810     . 0 0 "[ ]" 1 
       576 1  88 GLY H   1  90 GLY H   . . 4.500 4.499 4.499 4.499     . 0 0 "[ ]" 1 
       577 1  88 GLY QA  1  89 ASP H   . . 4.000 2.488 2.488 2.488     . 0 0 "[ ]" 1 
       578 1  88 GLY QA  1  90 GLY H   . . 5.000 3.744 3.744 3.744     . 0 0 "[ ]" 1 
       579 1  89 ASP CG  4   1 CA  CA  . . 4.000 4.001 4.001 4.001 0.001 1 0 "[ ]" 1 
       580 1  89 ASP H   1  89 ASP HB2 . . 4.170 2.378 2.378 2.378     . 0 0 "[ ]" 1 
       581 1  89 ASP H   1  89 ASP QB  . . 3.750 2.346 2.346 2.346     . 0 0 "[ ]" 1 
       582 1  89 ASP H   1  89 ASP HB3 . . 4.170 3.582 3.582 3.582     . 0 0 "[ ]" 1 
       583 1  89 ASP H   1  90 GLY H   . . 4.000 1.929 1.929 1.929     . 0 0 "[ ]" 1 
       584 1  89 ASP HA  1  90 GLY H   . . 4.500 3.610 3.610 3.610     . 0 0 "[ ]" 1 
       585 1  89 ASP QB  1  90 GLY H   . . 5.000 2.583 2.583 2.583     . 0 0 "[ ]" 1 
       586 1  90 GLY H   1  91 LYS H   . . 4.500 2.722 2.722 2.722     . 0 0 "[ ]" 1 
       587 1  90 GLY QA  1  91 LYS H   . . 4.000 2.959 2.959 2.959     . 0 0 "[ ]" 1 
       588 1  91 LYS CA  1 125 THR HA  . . 3.000 3.001 3.001 3.001 0.001 1 0 "[ ]" 1 
       589 1  91 LYS H   1  91 LYS QD  . . 5.380 2.707 2.707 2.707     . 0 0 "[ ]" 1 
       590 1  91 LYS HA  1  92 LEU H   . . 2.730 2.452 2.452 2.452     . 0 0 "[ ]" 1 
       591 1  91 LYS HA  1 125 THR HA  . . 2.100 2.101 2.101 2.101 0.001 1 0 "[ ]" 1 
       592 1  91 LYS QB  1  92 LEU H   . . 4.500 2.565 2.565 2.565     . 0 0 "[ ]" 1 
       593 1  91 LYS QB  1 124 ILE H   . . 6.500 3.986 3.986 3.986     . 0 0 "[ ]" 1 
       594 1  91 LYS QB  1 125 THR HA  . . 4.000 2.579 2.579 2.579     . 0 0 "[ ]" 1 
       595 1  91 LYS QB  1 125 THR HB  . . 4.500 3.573 3.573 3.573     . 0 0 "[ ]" 1 
       596 1  91 LYS O   4   1 CA  CA  . . 2.800 2.793 2.793 2.793     . 0 0 "[ ]" 1 
       597 1  92 LEU H   1  92 LEU HG  . . 5.000 2.558 2.558 2.558     . 0 0 "[ ]" 1 
       598 1  92 LEU H   1 124 ILE H   . . 3.510 3.232 3.232 3.232     . 0 0 "[ ]" 1 
       599 1  92 LEU H   1 125 THR HA  . . 4.000 2.893 2.893 2.893     . 0 0 "[ ]" 1 
       600 1  92 LEU HA  1  93 THR H   . . 2.500 2.464 2.464 2.464     . 0 0 "[ ]" 1 
       601 1  92 LEU QB  1  93 THR H   . . 4.880 2.566 2.566 2.566     . 0 0 "[ ]" 1 
       602 1  92 LEU MD1 1  93 THR H   . . 6.500 2.635 2.635 2.635     . 0 0 "[ ]" 1 
       603 1  92 LEU MD2 1  93 THR H   . . 6.500 4.652 4.652 4.652     . 0 0 "[ ]" 1 
       604 1  92 LEU HG  1  93 THR H   . . 5.500 4.122 4.122 4.122     . 0 0 "[ ]" 1 
       605 1  92 LEU N   1 124 ILE O   . . 3.000 2.820 2.820 2.820     . 0 0 "[ ]" 1 
       606 1  92 LEU O   1 124 ILE H   . . 2.000 1.789 1.789 1.789     . 0 0 "[ ]" 1 
       607 1  92 LEU O   1 124 ILE N   . . 3.000 2.739 2.739 2.739     . 0 0 "[ ]" 1 
       608 1  93 THR CA  1 123 TYR HA  . . 3.000 3.009 3.009 3.009 0.009 1 0 "[ ]" 1 
       609 1  93 THR HA  1 123 TYR HA  . . 2.100 2.014 2.014 2.014     . 0 0 "[ ]" 1 
       610 1  93 THR HA  1 124 ILE H   . . 4.500 2.892 2.892 2.892     . 0 0 "[ ]" 1 
       611 1  93 THR OG1 1  96 GLU H   . . 2.100 2.080 2.080 2.080     . 0 0 "[ ]" 1 
       612 1  94 LYS H   1  95 GLU H   . . 3.420 2.429 2.429 2.429     . 0 0 "[ ]" 1 
       613 1  94 LYS HA  1  95 GLU H   . . 3.500 3.544 3.544 3.544 0.044 1 0 "[ ]" 1 
       614 1  94 LYS HA  1  96 GLU H   . . 5.500 4.296 4.296 4.296     . 0 0 "[ ]" 1 
       615 1  94 LYS HA  1  97 VAL H   . . 4.000 3.378 3.378 3.378     . 0 0 "[ ]" 1 
       616 1  94 LYS HA  1  97 VAL HB  . . 4.500 3.153 3.153 3.153     . 0 0 "[ ]" 1 
       617 1  94 LYS QB  1  95 GLU H   . . 4.000 3.661 3.661 3.661     . 0 0 "[ ]" 1 
       618 1  94 LYS QG  1  95 GLU H   . . 4.760 2.242 2.242 2.242     . 0 0 "[ ]" 1 
       619 1  94 LYS O   1  98 THR H   . . 2.000 1.989 1.989 1.989     . 0 0 "[ ]" 1 
       620 1  94 LYS O   1  98 THR N   . . 3.000 2.931 2.931 2.931     . 0 0 "[ ]" 1 
       621 1  95 GLU H   1  95 GLU HG2 . . 5.500 4.638 4.638 4.638     . 0 0 "[ ]" 1 
       622 1  95 GLU H   1  95 GLU HG3 . . 5.500 4.378 4.378 4.378     . 0 0 "[ ]" 1 
       623 1  95 GLU H   1  96 GLU H   . . 3.110 2.476 2.476 2.476     . 0 0 "[ ]" 1 
       624 1  95 GLU HA  1  96 GLU H   . . 3.510 3.578 3.578 3.578 0.068 1 0 "[ ]" 1 
       625 1  95 GLU HA  1  98 THR H   . . 4.000 3.568 3.568 3.568     . 0 0 "[ ]" 1 
       626 1  95 GLU HA  1  98 THR HB  . . 4.500 3.692 3.692 3.692     . 0 0 "[ ]" 1 
       627 1  95 GLU QB  1  96 GLU H   . . 4.120 2.755 2.755 2.755     . 0 0 "[ ]" 1 
       628 1  95 GLU O   1  99 SER H   . . 2.000 2.007 2.007 2.007 0.007 1 0 "[ ]" 1 
       629 1  95 GLU O   1  99 SER N   . . 3.000 2.766 2.766 2.766     . 0 0 "[ ]" 1 
       630 1  96 GLU H   1  96 GLU HA  . . 2.900 2.826 2.826 2.826     . 0 0 "[ ]" 1 
       631 1  96 GLU H   1  96 GLU HB2 . . 4.000 2.576 2.576 2.576     . 0 0 "[ ]" 1 
       632 1  96 GLU H   1  96 GLU QB  . . 3.650 2.225 2.225 2.225     . 0 0 "[ ]" 1 
       633 1  96 GLU H   1  96 GLU HB3 . . 4.000 2.433 2.433 2.433     . 0 0 "[ ]" 1 
       634 1  96 GLU H   1  96 GLU QG  . . 4.500 3.939 3.939 3.939     . 0 0 "[ ]" 1 
       635 1  96 GLU H   1  97 VAL H   . . 2.990 2.505 2.505 2.505     . 0 0 "[ ]" 1 
       636 1  96 GLU HA  1  97 VAL H   . . 3.500 3.600 3.600 3.600 0.100 1 0 "[ ]" 1 
       637 1  96 GLU HA  1  99 SER QB  . . 4.500 2.072 2.072 2.072     . 0 0 "[ ]" 1 
       638 1  96 GLU QB  1  97 VAL H   . . 3.780 2.660 2.660 2.660     . 0 0 "[ ]" 1 
       639 1  96 GLU HB2 1  97 VAL H   . . 4.000 3.963 3.963 3.963     . 0 0 "[ ]" 1 
       640 1  96 GLU HB3 1  97 VAL H   . . 4.000 2.703 2.703 2.703     . 0 0 "[ ]" 1 
       641 1  96 GLU QG  1  97 VAL H   . . 4.390 3.706 3.706 3.706     . 0 0 "[ ]" 1 
       642 1  96 GLU O   1 100 PHE H   . . 2.000 2.008 2.008 2.008 0.008 1 0 "[ ]" 1 
       643 1  96 GLU O   1 100 PHE N   . . 3.000 2.946 2.946 2.946     . 0 0 "[ ]" 1 
       644 1  96 GLU OE1 4   1 CA  CA  . . 2.800 2.704 2.704 2.704     . 0 0 "[ ]" 1 
       645 1  96 GLU OE2 4   1 CA  CA  . . 2.800 2.803 2.803 2.803 0.003 1 0 "[ ]" 1 
       646 1  97 VAL H   1  97 VAL HB  . . 4.000 2.101 2.101 2.101     . 0 0 "[ ]" 1 
       647 1  97 VAL H   1  97 VAL MG1 . . 4.170 2.616 2.616 2.616     . 0 0 "[ ]" 1 
       648 1  97 VAL H   1  97 VAL QG  . . 3.570 2.553 2.553 2.553     . 0 0 "[ ]" 1 
       649 1  97 VAL H   1  97 VAL MG2 . . 4.170 3.564 3.564 3.564     . 0 0 "[ ]" 1 
       650 1  97 VAL H   1  98 THR H   . . 2.860 2.633 2.633 2.633     . 0 0 "[ ]" 1 
       651 1  97 VAL HA  1  98 THR H   . . 3.560 3.613 3.613 3.613 0.053 1 0 "[ ]" 1 
       652 1  97 VAL HA  1 100 PHE H   . . 4.040 3.571 3.571 3.571     . 0 0 "[ ]" 1 
       653 1  97 VAL HA  1 100 PHE QB  . . 4.500 2.955 2.955 2.955     . 0 0 "[ ]" 1 
       654 1  97 VAL HB  1  98 THR H   . . 4.000 3.558 3.558 3.558     . 0 0 "[ ]" 1 
       655 1  97 VAL HB  1 113 VAL QG  . . 6.200 3.534 3.534 3.534     . 0 0 "[ ]" 1 
       656 1  97 VAL QG  1 109 VAL QG  . . 5.500 2.586 2.586 2.586     . 0 0 "[ ]" 1 
       657 1  97 VAL MG1 1  98 THR H   . . 5.160 1.958 1.958 1.958     . 0 0 "[ ]" 1 
       658 1  97 VAL MG1 1 101 PHE H   . . 6.000 4.468 4.468 4.468     . 0 0 "[ ]" 1 
       659 1  97 VAL MG2 1  98 THR H   . . 5.160 4.055 4.055 4.055     . 0 0 "[ ]" 1 
       660 1  97 VAL MG2 1 101 PHE H   . . 6.000 4.247 4.247 4.247     . 0 0 "[ ]" 1 
       661 1  97 VAL O   1 101 PHE H   . . 2.000 1.846 1.846 1.846     . 0 0 "[ ]" 1 
       662 1  97 VAL O   1 101 PHE N   . . 3.000 2.830 2.830 2.830     . 0 0 "[ ]" 1 
       663 1  98 THR H   1  98 THR HB  . . 3.020 2.230 2.230 2.230     . 0 0 "[ ]" 1 
       664 1  98 THR H   1  98 THR MG  . . 4.360 2.482 2.482 2.482     . 0 0 "[ ]" 1 
       665 1  98 THR H   1  99 SER H   . . 3.500 2.507 2.507 2.507     . 0 0 "[ ]" 1 
       666 1  98 THR HA  1  99 SER H   . . 3.500 3.541 3.541 3.541 0.041 1 0 "[ ]" 1 
       667 1  98 THR HA  1 100 PHE H   . . 5.500 4.373 4.373 4.373     . 0 0 "[ ]" 1 
       668 1  98 THR HA  1 101 PHE QB  . . 4.500 2.242 2.242 2.242     . 0 0 "[ ]" 1 
       669 1  98 THR MG  1  99 SER H   . . 4.760 2.377 2.377 2.377     . 0 0 "[ ]" 1 
       670 1  98 THR O   1 102 LYS H   . . 2.000 1.801 1.801 1.801     . 0 0 "[ ]" 1 
       671 1  98 THR O   1 102 LYS N   . . 3.000 2.704 2.704 2.704     . 0 0 "[ ]" 1 
       672 1  99 SER H   1  99 SER QB  . . 3.680 2.053 2.053 2.053     . 0 0 "[ ]" 1 
       673 1  99 SER H   1 100 PHE H   . . 2.900 2.642 2.642 2.642     . 0 0 "[ ]" 1 
       674 1  99 SER H   1 101 PHE H   . . 4.230 4.128 4.128 4.128     . 0 0 "[ ]" 1 
       675 1  99 SER HA  1 100 PHE H   . . 3.500 3.614 3.614 3.614 0.114 1 0 "[ ]" 1 
       676 1  99 SER HA  1 102 LYS QB  . . 4.500 2.803 2.803 2.803     . 0 0 "[ ]" 1 
       677 1  99 SER QB  1 100 PHE H   . . 4.330 2.831 2.831 2.831     . 0 0 "[ ]" 1 
       678 1 100 PHE H   1 100 PHE HB2 . . 4.000 2.771 2.771 2.771     . 0 0 "[ ]" 1 
       679 1 100 PHE H   1 100 PHE QB  . . 3.650 1.981 1.981 1.981     . 0 0 "[ ]" 1 
       680 1 100 PHE H   1 100 PHE HB3 . . 4.000 2.029 2.029 2.029     . 0 0 "[ ]" 1 
       681 1 100 PHE H   1 101 PHE H   . . 3.100 2.566 2.566 2.566     . 0 0 "[ ]" 1 
       682 1 100 PHE H   1 102 LYS H   . . 4.320 3.950 3.950 3.950     . 0 0 "[ ]" 1 
       683 1 100 PHE HA  1 101 PHE H   . . 3.500 3.627 3.627 3.627 0.127 1 0 "[ ]" 1 
       684 1 100 PHE QB  1 101 PHE H   . . 3.650 2.508 2.508 2.508     . 0 0 "[ ]" 1 
       685 1 100 PHE HB2 1 101 PHE H   . . 4.000 3.932 3.932 3.932     . 0 0 "[ ]" 1 
       686 1 100 PHE HB3 1 101 PHE H   . . 4.000 2.538 2.538 2.538     . 0 0 "[ ]" 1 
       687 1 101 PHE H   1 101 PHE HA  . . 2.800 2.777 2.777 2.777     . 0 0 "[ ]" 1 
       688 1 101 PHE H   1 101 PHE HB2 . . 4.000 2.032 2.032 2.032     . 0 0 "[ ]" 1 
       689 1 101 PHE H   1 101 PHE QB  . . 3.350 2.016 2.016 2.016     . 0 0 "[ ]" 1 
       690 1 101 PHE H   1 101 PHE HB3 . . 4.000 3.369 3.369 3.369     . 0 0 "[ ]" 1 
       691 1 101 PHE H   1 102 LYS H   . . 3.000 2.719 2.719 2.719     . 0 0 "[ ]" 1 
       692 1 101 PHE HA  1 102 LYS H   . . 4.000 3.603 3.603 3.603     . 0 0 "[ ]" 1 
       693 1 101 PHE HA  1 104 HIS QB  . . 6.000 3.191 3.191 3.191     . 0 0 "[ ]" 1 
       694 1 101 PHE QB  1 104 HIS QB  . . 6.000 4.002 4.002 4.002     . 0 0 "[ ]" 1 
       695 1 101 PHE HZ  1 129 PHE HZ  . . 6.000 5.046 5.046 5.046     . 0 0 "[ ]" 1 
       696 1 102 LYS H   1 102 LYS HA  . . 2.680 2.704 2.704 2.704 0.024 1 0 "[ ]" 1 
       697 1 102 LYS H   1 102 LYS QB  . . 3.770 2.188 2.188 2.188     . 0 0 "[ ]" 1 
       698 1 102 LYS H   1 102 LYS QG  . . 4.500 3.984 3.984 3.984     . 0 0 "[ ]" 1 
       699 1 102 LYS H   1 103 LYS H   . . 2.860 2.850 2.850 2.850     . 0 0 "[ ]" 1 
       700 1 102 LYS H   1 104 HIS H   . . 4.500 4.367 4.367 4.367     . 0 0 "[ ]" 1 
       701 1 102 LYS HA  1 104 HIS H   . . 4.000 3.982 3.982 3.982     . 0 0 "[ ]" 1 
       702 1 102 LYS QB  1 103 LYS H   . . 3.930 2.937 2.937 2.937     . 0 0 "[ ]" 1 
       703 1 102 LYS QB  1 104 HIS H   . . 6.380 4.883 4.883 4.883     . 0 0 "[ ]" 1 
       704 1 103 LYS H   1 103 LYS HB2 . . 4.000 2.301 2.301 2.301     . 0 0 "[ ]" 1 
       705 1 103 LYS H   1 103 LYS QB  . . 3.650 2.163 2.163 2.163     . 0 0 "[ ]" 1 
       706 1 103 LYS H   1 103 LYS HB3 . . 4.000 2.630 2.630 2.630     . 0 0 "[ ]" 1 
       707 1 103 LYS H   1 104 HIS H   . . 3.090 2.787 2.787 2.787     . 0 0 "[ ]" 1 
       708 1 103 LYS HA  1 105 GLY H   . . 5.000 4.866 4.866 4.866     . 0 0 "[ ]" 1 
       709 1 103 LYS QB  1 104 HIS H   . . 3.720 2.748 2.748 2.748     . 0 0 "[ ]" 1 
       710 1 103 LYS HB2 1 104 HIS H   . . 4.000 3.930 3.930 3.930     . 0 0 "[ ]" 1 
       711 1 103 LYS HB3 1 104 HIS H   . . 4.000 2.806 2.806 2.806     . 0 0 "[ ]" 1 
       712 1 103 LYS QG  1 104 HIS H   . . 5.790 4.420 4.420 4.420     . 0 0 "[ ]" 1 
       713 1 104 HIS H   1 105 GLY H   . . 3.550 2.652 2.652 2.652     . 0 0 "[ ]" 1 
       714 1 104 HIS H   1 106 ILE H   . . 5.310 4.046 4.046 4.046     . 0 0 "[ ]" 1 
       715 1 104 HIS HA  1 106 ILE H   . . 4.720 4.687 4.687 4.687     . 0 0 "[ ]" 1 
       716 1 104 HIS QB  1 105 GLY H   . . 4.870 2.564 2.564 2.564     . 0 0 "[ ]" 1 
       717 1 104 HIS QB  1 106 ILE H   . . 3.350 2.482 2.482 2.482     . 0 0 "[ ]" 1 
       718 1 104 HIS HB2 1 105 GLY H   . . 5.500 3.051 3.051 3.051     . 0 0 "[ ]" 1 
       719 1 104 HIS HB2 1 106 ILE H   . . 4.820 3.465 3.465 3.465     . 0 0 "[ ]" 1 
       720 1 104 HIS HB3 1 105 GLY H   . . 5.500 2.757 2.757 2.757     . 0 0 "[ ]" 1 
       721 1 104 HIS HB3 1 106 ILE H   . . 4.820 2.543 2.543 2.543     . 0 0 "[ ]" 1 
       722 1 105 GLY H   1 106 ILE H   . . 2.930 1.908 1.908 1.908     . 0 0 "[ ]" 1 
       723 1 105 GLY QA  1 107 GLU QB  . . 6.500 4.719 4.719 4.719     . 0 0 "[ ]" 1 
       724 1 106 ILE H   1 106 ILE HB  . . 4.010 2.169 2.169 2.169     . 0 0 "[ ]" 1 
       725 1 106 ILE H   1 106 ILE QG  . . 4.950 3.404 3.404 3.404     . 0 0 "[ ]" 1 
       726 1 106 ILE H   1 106 ILE MG  . . 4.570 3.480 3.480 3.480     . 0 0 "[ ]" 1 
       727 1 106 ILE H   1 107 GLU H   . . 4.000 4.051 4.051 4.051 0.051 1 0 "[ ]" 1 
       728 1 106 ILE HA  1 107 GLU H   . . 3.500 2.291 2.291 2.291     . 0 0 "[ ]" 1 
       729 1 106 ILE HA  1 108 LYS H   . . 5.500 3.309 3.309 3.309     . 0 0 "[ ]" 1 
       730 1 106 ILE HB  1 109 VAL H   . . 6.000 4.710 4.710 4.710     . 0 0 "[ ]" 1 
       731 1 106 ILE QG  1 108 LYS H   . . 4.760 4.341 4.341 4.341     . 0 0 "[ ]" 1 
       732 1 107 GLU H   1 107 GLU QG  . . 3.930 2.094 2.094 2.094     . 0 0 "[ ]" 1 
       733 1 107 GLU H   1 108 LYS H   . . 3.500 2.468 2.468 2.468     . 0 0 "[ ]" 1 
       734 1 107 GLU H   1 109 VAL H   . . 5.380 4.212 4.212 4.212     . 0 0 "[ ]" 1 
       735 1 107 GLU HA  1 108 LYS H   . . 3.700 3.532 3.532 3.532     . 0 0 "[ ]" 1 
       736 1 107 GLU HA  1 110 ALA H   . . 5.100 3.276 3.276 3.276     . 0 0 "[ ]" 1 
       737 1 108 LYS H   1 108 LYS QG  . . 5.000 2.243 2.243 2.243     . 0 0 "[ ]" 1 
       738 1 108 LYS H   1 109 VAL H   . . 3.730 2.826 2.826 2.826     . 0 0 "[ ]" 1 
       739 1 108 LYS HA  1 109 VAL H   . . 3.590 3.538 3.538 3.538     . 0 0 "[ ]" 1 
       740 1 108 LYS HA  1 110 ALA H   . . 4.450 3.918 3.918 3.918     . 0 0 "[ ]" 1 
       741 1 108 LYS HA  1 111 GLU H   . . 4.480 2.957 2.957 2.957     . 0 0 "[ ]" 1 
       742 1 108 LYS HA  1 111 GLU QB  . . 4.500 2.551 2.551 2.551     . 0 0 "[ ]" 1 
       743 1 108 LYS QB  1 109 VAL H   . . 4.890 3.671 3.671 3.671     . 0 0 "[ ]" 1 
       744 1 108 LYS QG  1 109 VAL H   . . 4.140 2.209 2.209 2.209     . 0 0 "[ ]" 1 
       745 1 108 LYS O   1 112 GLN H   . . 2.000 1.817 1.817 1.817     . 0 0 "[ ]" 1 
       746 1 108 LYS O   1 112 GLN N   . . 3.000 2.776 2.776 2.776     . 0 0 "[ ]" 1 
       747 1 109 VAL H   1 109 VAL HB  . . 4.000 2.087 2.087 2.087     . 0 0 "[ ]" 1 
       748 1 109 VAL H   1 109 VAL MG1 . . 4.790 2.619 2.619 2.619     . 0 0 "[ ]" 1 
       749 1 109 VAL H   1 109 VAL QG  . . 3.900 2.555 2.555 2.555     . 0 0 "[ ]" 1 
       750 1 109 VAL H   1 109 VAL MG2 . . 4.790 3.560 3.560 3.560     . 0 0 "[ ]" 1 
       751 1 109 VAL H   1 110 ALA H   . . 3.400 2.688 2.688 2.688     . 0 0 "[ ]" 1 
       752 1 109 VAL HA  1 110 ALA H   . . 3.600 3.576 3.576 3.576     . 0 0 "[ ]" 1 
       753 1 109 VAL HA  1 112 GLN H   . . 3.300 3.311 3.311 3.311 0.011 1 0 "[ ]" 1 
       754 1 109 VAL HA  1 112 GLN QB  . . 4.500 3.386 3.386 3.386     . 0 0 "[ ]" 1 
       755 1 109 VAL MG1 1 110 ALA H   . . 6.000 2.153 2.153 2.153     . 0 0 "[ ]" 1 
       756 1 109 VAL MG2 1 110 ALA H   . . 6.000 4.158 4.158 4.158     . 0 0 "[ ]" 1 
       757 1 109 VAL O   1 113 VAL H   . . 2.000 1.825 1.825 1.825     . 0 0 "[ ]" 1 
       758 1 109 VAL O   1 113 VAL N   . . 3.000 2.679 2.679 2.679     . 0 0 "[ ]" 1 
       759 1 110 ALA H   1 111 GLU H   . . 2.740 2.525 2.525 2.525     . 0 0 "[ ]" 1 
       760 1 110 ALA HA  1 111 GLU H   . . 3.500 3.572 3.572 3.572 0.072 1 0 "[ ]" 1 
       761 1 110 ALA HA  1 113 VAL H   . . 4.000 3.371 3.371 3.371     . 0 0 "[ ]" 1 
       762 1 110 ALA HA  1 113 VAL HB  . . 4.500 2.309 2.309 2.309     . 0 0 "[ ]" 1 
       763 1 110 ALA HA  1 114 MET H   . . 5.500 3.803 3.803 3.803     . 0 0 "[ ]" 1 
       764 1 110 ALA MB  1 111 GLU H   . . 3.800 2.742 2.742 2.742     . 0 0 "[ ]" 1 
       765 1 110 ALA MB  1 112 GLN H   . . 5.600 4.716 4.716 4.716     . 0 0 "[ ]" 1 
       766 1 110 ALA MB  1 113 VAL H   . . 6.000 4.540 4.540 4.540     . 0 0 "[ ]" 1 
       767 1 110 ALA O   1 114 MET H   . . 2.000 1.928 1.928 1.928     . 0 0 "[ ]" 1 
       768 1 110 ALA O   1 114 MET N   . . 3.000 2.789 2.789 2.789     . 0 0 "[ ]" 1 
       769 1 111 GLU H   1 111 GLU HB2 . . 2.830 2.250 2.250 2.250     . 0 0 "[ ]" 1 
       770 1 111 GLU H   1 111 GLU QB  . . 2.490 2.157 2.157 2.157     . 0 0 "[ ]" 1 
       771 1 111 GLU H   1 111 GLU HB3 . . 2.830 2.767 2.767 2.767     . 0 0 "[ ]" 1 
       772 1 111 GLU H   1 112 GLN H   . . 2.820 2.590 2.590 2.590     . 0 0 "[ ]" 1 
       773 1 111 GLU HA  1 112 GLN H   . . 3.520 3.615 3.615 3.615 0.095 1 0 "[ ]" 1 
       774 1 111 GLU HA  1 114 MET H   . . 3.390 3.402 3.402 3.402 0.012 1 0 "[ ]" 1 
       775 1 111 GLU HA  1 114 MET QB  . . 4.500 2.730 2.730 2.730     . 0 0 "[ ]" 1 
       776 1 111 GLU O   1 115 LYS H   . . 2.000 2.012 2.012 2.012 0.012 1 0 "[ ]" 1 
       777 1 111 GLU O   1 115 LYS N   . . 3.000 2.904 2.904 2.904     . 0 0 "[ ]" 1 
       778 1 112 GLN H   1 112 GLN QG  . . 4.500 2.561 2.561 2.561     . 0 0 "[ ]" 1 
       779 1 112 GLN H   1 113 VAL H   . . 3.000 2.514 2.514 2.514     . 0 0 "[ ]" 1 
       780 1 112 GLN HA  1 113 VAL H   . . 3.500 3.553 3.553 3.553 0.053 1 0 "[ ]" 1 
       781 1 112 GLN HA  1 115 LYS QB  . . 4.500 2.588 2.588 2.588     . 0 0 "[ ]" 1 
       782 1 112 GLN QG  1 113 VAL H   . . 5.500 2.238 2.238 2.238     . 0 0 "[ ]" 1 
       783 1 112 GLN O   1 116 ALA H   . . 2.000 2.007 2.007 2.007 0.007 1 0 "[ ]" 1 
       784 1 112 GLN O   1 116 ALA N   . . 3.000 2.854 2.854 2.854     . 0 0 "[ ]" 1 
       785 1 113 VAL H   1 113 VAL HB  . . 4.000 2.223 2.223 2.223     . 0 0 "[ ]" 1 
       786 1 113 VAL H   1 113 VAL QG  . . 4.210 2.413 2.413 2.413     . 0 0 "[ ]" 1 
       787 1 113 VAL H   1 114 MET H   . . 2.740 2.467 2.467 2.467     . 0 0 "[ ]" 1 
       788 1 113 VAL H   1 115 LYS H   . . 5.500 3.922 3.922 3.922     . 0 0 "[ ]" 1 
       789 1 113 VAL HA  1 114 MET H   . . 3.540 3.583 3.583 3.583 0.043 1 0 "[ ]" 1 
       790 1 113 VAL HA  1 115 LYS H   . . 4.420 4.346 4.346 4.346     . 0 0 "[ ]" 1 
       791 1 113 VAL HA  1 116 ALA H   . . 4.110 3.336 3.336 3.336     . 0 0 "[ ]" 1 
       792 1 113 VAL HA  1 116 ALA MB  . . 4.500 2.291 2.291 2.291     . 0 0 "[ ]" 1 
       793 1 113 VAL QG  1 114 MET H   . . 5.030 3.283 3.283 3.283     . 0 0 "[ ]" 1 
       794 1 113 VAL MG1 1 114 MET H   . . 5.660 3.463 3.463 3.463     . 0 0 "[ ]" 1 
       795 1 113 VAL MG2 1 114 MET H   . . 5.660 4.077 4.077 4.077     . 0 0 "[ ]" 1 
       796 1 114 MET H   1 114 MET HB2 . . 4.000 2.359 2.359 2.359     . 0 0 "[ ]" 1 
       797 1 114 MET H   1 114 MET QB  . . 3.640 2.172 2.172 2.172     . 0 0 "[ ]" 1 
       798 1 114 MET H   1 114 MET HB3 . . 4.000 2.540 2.540 2.540     . 0 0 "[ ]" 1 
       799 1 114 MET H   1 114 MET QG  . . 4.300 3.925 3.925 3.925     . 0 0 "[ ]" 1 
       800 1 114 MET H   1 115 LYS H   . . 3.210 2.537 2.537 2.537     . 0 0 "[ ]" 1 
       801 1 114 MET HA  1 115 LYS H   . . 3.510 3.579 3.579 3.579 0.069 1 0 "[ ]" 1 
       802 1 114 MET HA  1 116 ALA H   . . 4.320 4.267 4.267 4.267     . 0 0 "[ ]" 1 
       803 1 114 MET QG  1 115 LYS H   . . 6.380 4.349 4.349 4.349     . 0 0 "[ ]" 1 
       804 1 115 LYS H   1 115 LYS QB  . . 3.790 2.052 2.052 2.052     . 0 0 "[ ]" 1 
       805 1 115 LYS H   1 115 LYS QD  . . 5.070 4.221 4.221 4.221     . 0 0 "[ ]" 1 
       806 1 115 LYS H   1 115 LYS QG  . . 4.090 3.179 3.179 3.179     . 0 0 "[ ]" 1 
       807 1 115 LYS H   1 116 ALA H   . . 2.800 2.427 2.427 2.427     . 0 0 "[ ]" 1 
       808 1 115 LYS HA  1 116 ALA H   . . 3.500 3.563 3.563 3.563 0.063 1 0 "[ ]" 1 
       809 1 115 LYS HA  1 117 ASP H   . . 4.690 4.335 4.335 4.335     . 0 0 "[ ]" 1 
       810 1 115 LYS QB  1 116 ALA H   . . 3.930 2.967 2.967 2.967     . 0 0 "[ ]" 1 
       811 1 115 LYS QG  1 116 ALA H   . . 6.380 4.641 4.641 4.641     . 0 0 "[ ]" 1 
       812 1 116 ALA H   1 116 ALA MB  . . 3.550 2.026 2.026 2.026     . 0 0 "[ ]" 1 
       813 1 116 ALA H   1 117 ASP H   . . 2.990 2.606 2.606 2.606     . 0 0 "[ ]" 1 
       814 1 116 ALA HA  1 117 ASP H   . . 3.590 3.606 3.606 3.606 0.016 1 0 "[ ]" 1 
       815 1 116 ALA MB  1 117 ASP H   . . 4.500 2.689 2.689 2.689     . 0 0 "[ ]" 1 
       816 1 117 ASP CG  1 122 GLY H   . . 3.000 3.500 3.500 3.500 0.500 1 1  [+]  1 
       817 1 117 ASP CG  5   1 CA  CA  . . 4.000 3.855 3.855 3.855     . 0 0 "[ ]" 1 
       818 1 117 ASP H   1 117 ASP QB  . . 3.800 2.234 2.234 2.234     . 0 0 "[ ]" 1 
       819 1 117 ASP H   1 118 ALA H   . . 4.050 3.995 3.995 3.995     . 0 0 "[ ]" 1 
       820 1 117 ASP HA  1 118 ALA H   . . 4.500 2.404 2.404 2.404     . 0 0 "[ ]" 1 
       821 1 117 ASP HA  1 119 ASN H   . . 4.510 3.805 3.805 3.805     . 0 0 "[ ]" 1 
       822 1 117 ASP QB  1 118 ALA H   . . 5.000 4.087 4.087 4.087     . 0 0 "[ ]" 1 
       823 1 118 ALA H   1 119 ASN H   . . 4.000 3.330 3.330 3.330     . 0 0 "[ ]" 1 
       824 1 118 ALA HA  1 119 ASN H   . . 4.020 2.730 2.730 2.730     . 0 0 "[ ]" 1 
       825 1 118 ALA HA  1 120 GLY H   . . 4.500 4.254 4.254 4.254     . 0 0 "[ ]" 1 
       826 1 118 ALA MB  1 119 ASN H   . . 4.500 3.782 3.782 3.782     . 0 0 "[ ]" 1 
       827 1 119 ASN H   1 119 ASN QB  . . 3.170 2.657 2.657 2.657     . 0 0 "[ ]" 1 
       828 1 119 ASN H   1 120 GLY H   . . 4.000 2.028 2.028 2.028     . 0 0 "[ ]" 1 
       829 1 119 ASN HA  1 120 GLY H   . . 4.500 3.636 3.636 3.636     . 0 0 "[ ]" 1 
       830 1 119 ASN QB  1 120 GLY H   . . 4.500 2.365 2.365 2.365     . 0 0 "[ ]" 1 
       831 1 119 ASN OD1 5   1 CA  CA  . . 2.800 2.665 2.665 2.665     . 0 0 "[ ]" 1 
       832 1 120 GLY H   1 121 ASP H   . . 4.500 2.356 2.356 2.356     . 0 0 "[ ]" 1 
       833 1 120 GLY H   1 122 GLY H   . . 5.000 3.432 3.432 3.432     . 0 0 "[ ]" 1 
       834 1 120 GLY QA  1 121 ASP H   . . 4.000 2.981 2.981 2.981     . 0 0 "[ ]" 1 
       835 1 120 GLY QA  1 122 GLY H   . . 5.500 4.026 4.026 4.026     . 0 0 "[ ]" 1 
       836 1 121 ASP CG  5   1 CA  CA  . . 4.000 3.794 3.794 3.794     . 0 0 "[ ]" 1 
       837 1 121 ASP H   1 122 GLY H   . . 3.500 2.701 2.701 2.701     . 0 0 "[ ]" 1 
       838 1 121 ASP HA  1 122 GLY H   . . 4.000 3.635 3.635 3.635     . 0 0 "[ ]" 1 
       839 1 121 ASP QB  1 122 GLY H   . . 4.500 3.276 3.276 3.276     . 0 0 "[ ]" 1 
       840 1 122 GLY H   1 123 TYR H   . . 4.000 2.211 2.211 2.211     . 0 0 "[ ]" 1 
       841 1 122 GLY QA  1 123 TYR H   . . 4.000 2.892 2.892 2.892     . 0 0 "[ ]" 1 
       842 1 123 TYR HA  1 124 ILE H   . . 2.700 2.408 2.408 2.408     . 0 0 "[ ]" 1 
       843 1 123 TYR QB  1 124 ILE H   . . 4.500 2.641 2.641 2.641     . 0 0 "[ ]" 1 
       844 1 123 TYR O   5   1 CA  CA  . . 2.800 2.688 2.688 2.688     . 0 0 "[ ]" 1 
       845 1 124 ILE H   1 124 ILE HB  . . 4.000 3.960 3.960 3.960     . 0 0 "[ ]" 1 
       846 1 124 ILE H   1 124 ILE QG  . . 5.000 2.654 2.654 2.654     . 0 0 "[ ]" 1 
       847 1 124 ILE HA  1 125 THR H   . . 3.000 2.479 2.479 2.479     . 0 0 "[ ]" 1 
       848 1 124 ILE HB  1 124 ILE MD  . . 3.000 2.248 2.248 2.248     . 0 0 "[ ]" 1 
       849 1 124 ILE HB  1 125 THR H   . . 5.000 2.521 2.521 2.521     . 0 0 "[ ]" 1 
       850 1 124 ILE MD  1 125 THR H   . . 5.500 3.899 3.899 3.899     . 0 0 "[ ]" 1 
       851 1 124 ILE QG  1 125 THR H   . . 4.330 3.312 3.312 3.312     . 0 0 "[ ]" 1 
       852 1 124 ILE MG  1 125 THR H   . . 5.720 3.897 3.897 3.897     . 0 0 "[ ]" 1 
       853 1 125 THR H   1 125 THR HB  . . 4.000 3.762 3.762 3.762     . 0 0 "[ ]" 1 
       854 1 125 THR HA  1 126 LEU H   . . 3.500 2.611 2.611 2.611     . 0 0 "[ ]" 1 
       855 1 125 THR HB  1 126 LEU H   . . 4.500 2.406 2.406 2.406     . 0 0 "[ ]" 1 
       856 1 125 THR OG1 1 128 GLU H   . . 2.100 2.093 2.093 2.093     . 0 0 "[ ]" 1 
       857 1 126 LEU H   1 126 LEU QB  . . 3.860 2.189 2.189 2.189     . 0 0 "[ ]" 1 
       858 1 126 LEU H   1 126 LEU HG  . . 4.860 4.409 4.409 4.409     . 0 0 "[ ]" 1 
       859 1 126 LEU H   1 127 GLU H   . . 3.080 2.523 2.523 2.523     . 0 0 "[ ]" 1 
       860 1 126 LEU HA  1 127 GLU H   . . 3.580 3.589 3.589 3.589 0.009 1 0 "[ ]" 1 
       861 1 126 LEU HA  1 129 PHE QB  . . 4.500 2.178 2.178 2.178     . 0 0 "[ ]" 1 
       862 1 126 LEU QB  1 127 GLU H   . . 4.260 2.722 2.722 2.722     . 0 0 "[ ]" 1 
       863 1 126 LEU QB  1 129 PHE H   . . 5.500 4.810 4.810 4.810     . 0 0 "[ ]" 1 
       864 1 126 LEU HB2 1 127 GLU H   . . 4.500 3.929 3.929 3.929     . 0 0 "[ ]" 1 
       865 1 126 LEU HB3 1 127 GLU H   . . 4.500 2.776 2.776 2.776     . 0 0 "[ ]" 1 
       866 1 126 LEU QD  1 127 GLU H   . . 5.310 3.817 3.817 3.817     . 0 0 "[ ]" 1 
       867 1 126 LEU MD1 1 127 GLU H   . . 6.000 5.000 5.000 5.000     . 0 0 "[ ]" 1 
       868 1 126 LEU MD2 1 127 GLU H   . . 6.000 3.960 3.960 3.960     . 0 0 "[ ]" 1 
       869 1 126 LEU O   1 130 LEU H   . . 2.000 2.006 2.006 2.006 0.006 1 0 "[ ]" 1 
       870 1 126 LEU O   1 130 LEU N   . . 3.000 2.912 2.912 2.912     . 0 0 "[ ]" 1 
       871 1 127 GLU H   1 127 GLU HB2 . . 3.500 2.055 2.055 2.055     . 0 0 "[ ]" 1 
       872 1 127 GLU H   1 127 GLU HB3 . . 3.500 3.337 3.337 3.337     . 0 0 "[ ]" 1 
       873 1 127 GLU H   1 127 GLU HG2 . . 5.500 4.385 4.385 4.385     . 0 0 "[ ]" 1 
       874 1 127 GLU H   1 127 GLU HG3 . . 5.500 3.391 3.391 3.391     . 0 0 "[ ]" 1 
       875 1 127 GLU H   1 128 GLU H   . . 3.140 2.630 2.630 2.630     . 0 0 "[ ]" 1 
       876 1 127 GLU HA  1 128 GLU H   . . 3.540 3.601 3.601 3.601 0.061 1 0 "[ ]" 1 
       877 1 127 GLU HA  1 130 LEU H   . . 4.000 3.553 3.553 3.553     . 0 0 "[ ]" 1 
       878 1 127 GLU HA  1 130 LEU QB  . . 4.500 3.100 3.100 3.100     . 0 0 "[ ]" 1 
       879 1 127 GLU QG  1 128 GLU H   . . 6.380 4.502 4.502 4.502     . 0 0 "[ ]" 1 
       880 1 127 GLU O   1 131 GLU H   . . 2.000 1.977 1.977 1.977     . 0 0 "[ ]" 1 
       881 1 127 GLU O   1 131 GLU N   . . 3.000 2.958 2.958 2.958     . 0 0 "[ ]" 1 
       882 1 128 GLU H   1 128 GLU HB2 . . 4.000 2.640 2.640 2.640     . 0 0 "[ ]" 1 
       883 1 128 GLU H   1 128 GLU QB  . . 3.650 2.212 2.212 2.212     . 0 0 "[ ]" 1 
       884 1 128 GLU H   1 128 GLU HB3 . . 4.000 2.374 2.374 2.374     . 0 0 "[ ]" 1 
       885 1 128 GLU H   1 128 GLU QG  . . 4.500 3.922 3.922 3.922     . 0 0 "[ ]" 1 
       886 1 128 GLU H   1 129 PHE H   . . 3.000 2.464 2.464 2.464     . 0 0 "[ ]" 1 
       887 1 128 GLU H   1 130 LEU H   . . 5.500 4.110 4.110 4.110     . 0 0 "[ ]" 1 
       888 1 128 GLU HA  1 129 PHE H   . . 3.500 3.556 3.556 3.556 0.056 1 0 "[ ]" 1 
       889 1 128 GLU HA  1 131 GLU QB  . . 4.500 2.818 2.818 2.818     . 0 0 "[ ]" 1 
       890 1 128 GLU QG  1 129 PHE H   . . 4.300 3.765 3.765 3.765     . 0 0 "[ ]" 1 
       891 1 128 GLU O   1 132 PHE H   . . 2.000 2.004 2.004 2.004 0.004 1 0 "[ ]" 1 
       892 1 128 GLU O   1 132 PHE N   . . 3.000 2.779 2.779 2.779     . 0 0 "[ ]" 1 
       893 1 128 GLU OE1 5   1 CA  CA  . . 2.800 2.718 2.718 2.718     . 0 0 "[ ]" 1 
       894 1 128 GLU OE2 5   1 CA  CA  . . 2.800 2.785 2.785 2.785     . 0 0 "[ ]" 1 
       895 1 129 PHE H   1 129 PHE HB2 . . 4.000 2.456 2.456 2.456     . 0 0 "[ ]" 1 
       896 1 129 PHE H   1 129 PHE QB  . . 3.550 2.083 2.083 2.083     . 0 0 "[ ]" 1 
       897 1 129 PHE H   1 129 PHE HB3 . . 4.000 2.251 2.251 2.251     . 0 0 "[ ]" 1 
       898 1 129 PHE H   1 130 LEU H   . . 3.140 2.611 2.611 2.611     . 0 0 "[ ]" 1 
       899 1 129 PHE HA  1 130 LEU H   . . 3.540 3.597 3.597 3.597 0.057 1 0 "[ ]" 1 
       900 1 129 PHE HA  1 132 PHE H   . . 4.450 3.655 3.655 3.655     . 0 0 "[ ]" 1 
       901 1 129 PHE HA  1 132 PHE QB  . . 4.500 2.477 2.477 2.477     . 0 0 "[ ]" 1 
       902 1 130 LEU H   1 130 LEU HB2 . . 4.000 2.480 2.480 2.480     . 0 0 "[ ]" 1 
       903 1 130 LEU H   1 130 LEU QB  . . 3.650 2.205 2.205 2.205     . 0 0 "[ ]" 1 
       904 1 130 LEU H   1 130 LEU HB3 . . 4.000 2.469 2.469 2.469     . 0 0 "[ ]" 1 
       905 1 130 LEU H   1 130 LEU HG  . . 4.500 4.409 4.409 4.409     . 0 0 "[ ]" 1 
       906 1 130 LEU H   1 131 GLU H   . . 3.020 2.612 2.612 2.612     . 0 0 "[ ]" 1 
       907 1 130 LEU HA  1 133 SER QB  . . 4.500 3.145 3.145 3.145     . 0 0 "[ ]" 1 
       908 1 130 LEU QB  1 131 GLU H   . . 4.880 2.368 2.368 2.368     . 0 0 "[ ]" 1 
       909 1 130 LEU HG  1 131 GLU H   . . 4.320 4.321 4.321 4.321 0.001 1 0 "[ ]" 1 
       910 1 131 GLU H   1 131 GLU HB2 . . 4.050 2.085 2.085 2.085     . 0 0 "[ ]" 1 
       911 1 131 GLU H   1 131 GLU HB3 . . 4.050 2.968 2.968 2.968     . 0 0 "[ ]" 1 
       912 1 131 GLU H   1 132 PHE H   . . 3.000 2.727 2.727 2.727     . 0 0 "[ ]" 1 
       913 1 131 GLU HA  1 132 PHE H   . . 3.500 3.543 3.543 3.543 0.043 1 0 "[ ]" 1 
       914 1 131 GLU HA  1 134 LEU QB  . . 4.500 2.253 2.253 2.253     . 0 0 "[ ]" 1 
       915 1 131 GLU QB  1 132 PHE H   . . 3.590 2.935 2.935 2.935     . 0 0 "[ ]" 1 
       916 1 131 GLU HB2 1 132 PHE H   . . 3.890 3.724 3.724 3.724     . 0 0 "[ ]" 1 
       917 1 131 GLU HB3 1 132 PHE H   . . 3.890 3.072 3.072 3.072     . 0 0 "[ ]" 1 
       918 1 132 PHE H   1 132 PHE QB  . . 3.820 2.006 2.006 2.006     . 0 0 "[ ]" 1 
       919 1 132 PHE H   1 133 SER H   . . 3.300 2.716 2.716 2.716     . 0 0 "[ ]" 1 
       920 1 132 PHE HA  1 133 SER H   . . 3.520 3.586 3.586 3.586 0.066 1 0 "[ ]" 1 
       921 1 133 SER H   1 133 SER HA  . . 2.800 2.822 2.822 2.822 0.022 1 0 "[ ]" 1 
       922 1 133 SER H   1 133 SER QB  . . 3.500 2.055 2.055 2.055     . 0 0 "[ ]" 1 
       923 1 133 SER H   1 134 LEU H   . . 3.760 2.454 2.454 2.454     . 0 0 "[ ]" 1 
       924 1 133 SER HA  1 134 LEU H   . . 3.500 3.550 3.550 3.550 0.050 1 0 "[ ]" 1 
       925 1 134 LEU H   1 134 LEU HB2 . . 4.000 2.054 2.054 2.054     . 0 0 "[ ]" 1 
       926 1 134 LEU H   1 134 LEU HB3 . . 4.000 3.332 3.332 3.332     . 0 0 "[ ]" 1 
       927 1 134 LEU H   1 134 LEU HG  . . 5.140 3.940 3.940 3.940     . 0 0 "[ ]" 1 
    stop_

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