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
451991 2rq1 11065 cing 4-filtered-FRED Wattos check violation distance


data_2rq1


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              1543
    _Distance_constraint_stats_list.Viol_count                    1378
    _Distance_constraint_stats_list.Viol_total                    460.629
    _Distance_constraint_stats_list.Viol_max                      0.097
    _Distance_constraint_stats_list.Viol_rms                      0.0053
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0007
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0167
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       
;
Description of the tags in this list:
*  1 * Administrative tag
*  2 * Administrative tag
*  3 * Administrative tag
*  4 * ID of the restraint list.                                                              
*  5 * Number of restraints in list.                                                          
*  6 * Number of violated restraints (each model violation is used).                          
*  7 * Sum of violations in Angstrom.                                                         
*  8 * Maximum violation of a restraint without averaging in any way.                         
*  9 * Rms of violations over all restraints.                                                 
*  10 * Average violation over all restraints.                                                 
*  11 * Average violation over violated restraints.                                            
           This violation is averaged over only those models in which the restraint is violated.   
           These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).     
*  12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
*  13 * This tag                                                                               

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

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


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

       1   3 HIS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1   4 MET 0.001 0.001  2 0 "[    .    1    .    2]" 
       1   5 ASP 0.003 0.003 17 0 "[    .    1    .    2]" 
       1   6 PRO 0.004 0.002 14 0 "[    .    1    .    2]" 
       1   7 ALA 0.140 0.017 10 0 "[    .    1    .    2]" 
       1   8 GLN 0.032 0.008  8 0 "[    .    1    .    2]" 
       1   9 LEU 0.182 0.017 10 0 "[    .    1    .    2]" 
       1  10 THR 0.318 0.022 11 0 "[    .    1    .    2]" 
       1  11 GLU 0.793 0.051 17 0 "[    .    1    .    2]" 
       1  12 ASP 0.005 0.005 16 0 "[    .    1    .    2]" 
       1  13 ILE 0.964 0.044 18 0 "[    .    1    .    2]" 
       1  14 THR 3.740 0.097 18 0 "[    .    1    .    2]" 
       1  15 ARG 2.063 0.097 18 0 "[    .    1    .    2]" 
       1  16 TYR 0.192 0.021  5 0 "[    .    1    .    2]" 
       1  17 TYR 0.015 0.003  2 0 "[    .    1    .    2]" 
       1  18 LEU 0.649 0.026  1 0 "[    .    1    .    2]" 
       1  19 CYS 0.282 0.026  1 0 "[    .    1    .    2]" 
       1  20 LEU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  21 GLN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  22 LEU 0.297 0.018  9 0 "[    .    1    .    2]" 
       1  23 ARG 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  24 GLN 0.038 0.012 19 0 "[    .    1    .    2]" 
       1  25 ASP 0.032 0.006  1 0 "[    .    1    .    2]" 
       1  26 ILE 0.024 0.005  6 0 "[    .    1    .    2]" 
       1  27 VAL 0.024 0.008 15 0 "[    .    1    .    2]" 
       1  28 ALA 0.028 0.008 10 0 "[    .    1    .    2]" 
       1  29 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  30 ARG 0.002 0.002 18 0 "[    .    1    .    2]" 
       1  31 LEU 0.062 0.009 20 0 "[    .    1    .    2]" 
       1  32 PRO 0.030 0.009 20 0 "[    .    1    .    2]" 
       1  33 CYS 0.179 0.014  7 0 "[    .    1    .    2]" 
       1  34 SER 0.093 0.010  8 0 "[    .    1    .    2]" 
       1  35 PHE 0.411 0.024 18 0 "[    .    1    .    2]" 
       1  36 ALA 0.728 0.043 19 0 "[    .    1    .    2]" 
       1  37 THR 0.765 0.040  1 0 "[    .    1    .    2]" 
       1  38 LEU 0.474 0.028 16 0 "[    .    1    .    2]" 
       1  39 ALA 0.981 0.040  1 0 "[    .    1    .    2]" 
       1  40 LEU 0.727 0.043 19 0 "[    .    1    .    2]" 
       1  41 LEU 0.109 0.012 20 0 "[    .    1    .    2]" 
       1  42 GLY 0.015 0.011 19 0 "[    .    1    .    2]" 
       1  43 SER 0.077 0.012 13 0 "[    .    1    .    2]" 
       1  44 TYR 0.116 0.012 13 0 "[    .    1    .    2]" 
       1  45 THR 0.401 0.028 14 0 "[    .    1    .    2]" 
       1  46 ILE 0.660 0.050 16 0 "[    .    1    .    2]" 
       1  47 GLN 0.597 0.044 10 0 "[    .    1    .    2]" 
       1  48 SER 0.420 0.028 14 0 "[    .    1    .    2]" 
       1  49 GLU 2.544 0.092 14 0 "[    .    1    .    2]" 
       1  50 LEU 3.978 0.092 14 0 "[    .    1    .    2]" 
       1  51 GLY 1.124 0.059 14 0 "[    .    1    .    2]" 
       1  52 ASP 0.457 0.059 14 0 "[    .    1    .    2]" 
       1  53 TYR 0.075 0.010 20 0 "[    .    1    .    2]" 
       1  54 ASP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  55 PRO 0.014 0.007 13 0 "[    .    1    .    2]" 
       1  56 GLU 0.083 0.009  7 0 "[    .    1    .    2]" 
       1  57 LEU 0.090 0.009  7 0 "[    .    1    .    2]" 
       1  58 HIS 0.140 0.032  3 0 "[    .    1    .    2]" 
       1  59 GLY 0.392 0.078  5 0 "[    .    1    .    2]" 
       1  60 VAL 0.326 0.078  5 0 "[    .    1    .    2]" 
       1  61 ASP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  62 TYR 0.851 0.027  1 0 "[    .    1    .    2]" 
       1  63 VAL 0.213 0.027 10 0 "[    .    1    .    2]" 
       1  64 SER 0.032 0.011  9 0 "[    .    1    .    2]" 
       1  65 ASP 0.005 0.005  8 0 "[    .    1    .    2]" 
       1  66 PHE 0.051 0.010  1 0 "[    .    1    .    2]" 
       1  67 LYS 0.039 0.010  1 0 "[    .    1    .    2]" 
       1  68 LEU 0.141 0.027 10 0 "[    .    1    .    2]" 
       1  69 ALA 0.114 0.014  7 0 "[    .    1    .    2]" 
       1  70 PRO 0.036 0.006 10 0 "[    .    1    .    2]" 
       1  71 ASN 0.097 0.012  8 0 "[    .    1    .    2]" 
       1  72 GLN 0.349 0.014  8 0 "[    .    1    .    2]" 
       1  73 THR 0.922 0.064 19 0 "[    .    1    .    2]" 
       1  74 LYS 0.131 0.031  4 0 "[    .    1    .    2]" 
       1  75 GLU 0.739 0.064 19 0 "[    .    1    .    2]" 
       1  76 LEU 0.962 0.037 15 0 "[    .    1    .    2]" 
       1  77 GLU 0.032 0.008  4 0 "[    .    1    .    2]" 
       1  78 GLU 0.329 0.023 15 0 "[    .    1    .    2]" 
       1  79 LYS 0.033 0.011 13 0 "[    .    1    .    2]" 
       1  80 VAL 0.027 0.006 14 0 "[    .    1    .    2]" 
       1  81 MET 0.142 0.013 19 0 "[    .    1    .    2]" 
       1  82 GLU 0.022 0.012 11 0 "[    .    1    .    2]" 
       1  83 LEU 0.086 0.013  1 0 "[    .    1    .    2]" 
       1  84 HIS 0.111 0.013  1 0 "[    .    1    .    2]" 
       1  85 LYS 0.029 0.012 11 0 "[    .    1    .    2]" 
       1  86 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  87 TYR 0.230 0.034  4 0 "[    .    1    .    2]" 
       1  88 ARG 0.315 0.052 17 0 "[    .    1    .    2]" 
       1  89 SER 0.264 0.034 18 0 "[    .    1    .    2]" 
       1  90 MET 0.359 0.052 17 0 "[    .    1    .    2]" 
       1  91 THR 0.350 0.035 17 0 "[    .    1    .    2]" 
       1  92 PRO 0.204 0.036 10 0 "[    .    1    .    2]" 
       1  93 ALA 0.695 0.036 10 0 "[    .    1    .    2]" 
       1  94 GLN 0.140 0.016 12 0 "[    .    1    .    2]" 
       1  95 ALA 0.311 0.017 16 0 "[    .    1    .    2]" 
       1  96 ASP 1.408 0.097 16 0 "[    .    1    .    2]" 
       1  97 LEU 0.176 0.016 12 0 "[    .    1    .    2]" 
       1  98 GLU 0.111 0.028 20 0 "[    .    1    .    2]" 
       1  99 PHE 1.627 0.097 16 0 "[    .    1    .    2]" 
       1 100 LEU 0.255 0.018 12 0 "[    .    1    .    2]" 
       1 101 GLU 1.317 0.053 19 0 "[    .    1    .    2]" 
       1 102 ASN 0.919 0.053 19 0 "[    .    1    .    2]" 
       1 103 ALA 0.349 0.024 14 0 "[    .    1    .    2]" 
       1 104 LYS 0.070 0.019  2 0 "[    .    1    .    2]" 
       1 105 LYS 0.374 0.046 17 0 "[    .    1    .    2]" 
       1 106 LEU 2.185 0.084 15 0 "[    .    1    .    2]" 
       1 107 SER 0.020 0.010 18 0 "[    .    1    .    2]" 
       1 108 MET 0.083 0.012 20 0 "[    .    1    .    2]" 
       1 109 TYR 0.151 0.013 20 0 "[    .    1    .    2]" 
    stop_

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

          1 1  89 SER H    1  90 MET H    3.850     . 3.850 2.923 1.876 3.868 0.018 10 0 "[    .    1    .    2]" 1 
          2 1  89 SER HA   1  90 MET H    3.560     . 3.560 2.702 2.394 3.236     .  0 0 "[    .    1    .    2]" 1 
          3 1  90 MET H    1  90 MET HB2  3.640     . 3.640 2.761 2.385 3.090     .  0 0 "[    .    1    .    2]" 1 
          4 1  90 MET H    1  90 MET HB3  3.640     . 3.640 2.580 2.421 2.686     .  0 0 "[    .    1    .    2]" 1 
          5 1   4 MET HA   1   5 ASP H    3.020     . 3.020 2.309 2.139 2.646     .  0 0 "[    .    1    .    2]" 1 
          6 1   5 ASP H    1   5 ASP HB2  3.890     . 3.890 2.407 2.082 2.739     .  0 0 "[    .    1    .    2]" 1 
          7 1   5 ASP H    1   5 ASP HB3  3.890     . 3.890 3.444 2.868 3.723     .  0 0 "[    .    1    .    2]" 1 
          8 1  44 TYR H    1  45 THR H    3.810     . 3.810 2.555 2.512 2.590     .  0 0 "[    .    1    .    2]" 1 
          9 1  44 TYR H    1  44 TYR QD   3.770     . 3.770 3.322 3.197 3.413     .  0 0 "[    .    1    .    2]" 1 
         10 1  98 GLU H    1  99 PHE H    3.710     . 3.710 2.880 2.753 2.927     .  0 0 "[    .    1    .    2]" 1 
         11 1  99 PHE H    1  99 PHE HB3  3.870     . 3.870 2.370 2.321 2.415     .  0 0 "[    .    1    .    2]" 1 
         12 1  99 PHE H    1  99 PHE HB2  3.870     . 3.870 2.764 2.706 2.866     .  0 0 "[    .    1    .    2]" 1 
         13 1  98 GLU QB   1  99 PHE H    3.830     . 3.830 2.517 2.361 3.353     .  0 0 "[    .    1    .    2]" 1 
         14 1  94 GLN H    1  95 ALA H    3.530     . 3.530 2.753 2.715 2.822     .  0 0 "[    .    1    .    2]" 1 
         15 1  71 ASN HA   1  72 GLN H    3.320     . 3.320 2.452 2.390 2.512     .  0 0 "[    .    1    .    2]" 1 
         16 1  90 MET HG2  1  95 ALA H    5.240     . 5.240 3.543 3.189 3.830     .  0 0 "[    .    1    .    2]" 1 
         17 1  94 GLN QG   1  95 ALA H    5.380     . 5.380 4.332 3.953 4.460     .  0 0 "[    .    1    .    2]" 1 
         18 1  72 GLN H    1  72 GLN HB3  3.710     . 3.710 2.699 2.559 2.889     .  0 0 "[    .    1    .    2]" 1 
         19 1  72 GLN H    1  72 GLN HB2  3.710     . 3.710 2.407 2.249 2.512     .  0 0 "[    .    1    .    2]" 1 
         20 1  95 ALA H    1  95 ALA MB   3.310     . 3.310 2.140 2.076 2.242     .  0 0 "[    .    1    .    2]" 1 
         21 1  67 LYS HA   1  68 LEU H    3.200     . 3.200 2.225 2.176 2.315     .  0 0 "[    .    1    .    2]" 1 
         22 1  68 LEU H    1  68 LEU HG   3.930     . 3.930 2.074 1.953 2.635     .  0 0 "[    .    1    .    2]" 1 
         23 1  87 TYR H    1  87 TYR QD   3.920     . 3.920 3.276 3.062 3.402     .  0 0 "[    .    1    .    2]" 1 
         24 1  17 TYR H    1  18 LEU H    3.580     . 3.580 2.640 2.580 2.732     .  0 0 "[    .    1    .    2]" 1 
         25 1  18 LEU H    1  19 CYS H    3.880     . 3.880 2.777 2.687 2.959     .  0 0 "[    .    1    .    2]" 1 
         26 1  18 LEU H    1  18 LEU HB2  3.930     . 3.930 2.123 2.069 2.181     .  0 0 "[    .    1    .    2]" 1 
         27 1  18 LEU H    1  18 LEU HB3  3.930     . 3.930 3.001 2.924 3.079     .  0 0 "[    .    1    .    2]" 1 
         28 1  38 LEU H    1  39 ALA H    3.770     . 3.770 2.757 2.694 2.844     .  0 0 "[    .    1    .    2]" 1 
         29 1  26 ILE H    1  27 VAL H    3.820     . 3.820 2.792 2.733 2.883     .  0 0 "[    .    1    .    2]" 1 
         30 1  37 THR HB   1  38 LEU H    3.890     . 3.890 2.627 2.506 2.697     .  0 0 "[    .    1    .    2]" 1 
         31 1  35 PHE HA   1  38 LEU H    4.100     . 4.100 3.504 3.387 3.664     .  0 0 "[    .    1    .    2]" 1 
         32 1 100 LEU HA   1 103 ALA H    4.410     . 4.410 3.590 3.538 3.647     .  0 0 "[    .    1    .    2]" 1 
         33 1  26 ILE H    1  26 ILE HB   3.360     . 3.360 2.591 2.535 2.621     .  0 0 "[    .    1    .    2]" 1 
         34 1  38 LEU H    1  38 LEU HB2  3.660     . 3.660 2.311 2.254 2.391     .  0 0 "[    .    1    .    2]" 1 
         35 1  26 ILE H    1  26 ILE MD   3.500     . 3.500 3.132 3.071 3.262     .  0 0 "[    .    1    .    2]" 1 
         36 1  38 LEU H    1  38 LEU MD2  3.770     . 3.770 3.529 3.327 3.735     .  0 0 "[    .    1    .    2]" 1 
         37 1  66 PHE HA   1  67 LYS H    2.970     . 2.970 2.148 2.131 2.238     .  0 0 "[    .    1    .    2]" 1 
         38 1  66 PHE HB3  1  67 LYS H    4.320     . 4.320 3.350 2.879 3.496     .  0 0 "[    .    1    .    2]" 1 
         39 1  90 MET HA   1  91 THR H    3.120     . 3.120 2.273 2.181 2.352     .  0 0 "[    .    1    .    2]" 1 
         40 1  90 MET HG2  1  91 THR H    4.720     . 4.720 2.903 1.986 3.975     .  0 0 "[    .    1    .    2]" 1 
         41 1  91 THR H    1  94 GLN QG   5.320     . 5.320 3.479 1.979 4.191     .  0 0 "[    .    1    .    2]" 1 
         42 1  91 THR H    1  91 THR MG   3.290     . 3.290 2.841 2.341 3.292 0.002 15 0 "[    .    1    .    2]" 1 
         43 1  13 ILE H    1  13 ILE HB   3.520     . 3.520 2.554 2.433 2.594     .  0 0 "[    .    1    .    2]" 1 
         44 1 103 ALA H    1 104 LYS H    3.660     . 3.660 2.660 2.627 2.682     .  0 0 "[    .    1    .    2]" 1 
         45 1 103 ALA H    1 103 ALA MB   3.150     . 3.150 2.196 2.085 2.241     .  0 0 "[    .    1    .    2]" 1 
         46 1  35 PHE H    1  35 PHE HB2  3.970     . 3.970 2.598 2.571 2.639     .  0 0 "[    .    1    .    2]" 1 
         47 1  25 ASP H    1  26 ILE H    3.630     . 3.630 2.590 2.537 2.648     .  0 0 "[    .    1    .    2]" 1 
         48 1   7 ALA H    1   8 GLN H    3.290     . 3.290 2.534 2.172 2.863     .  0 0 "[    .    1    .    2]" 1 
         49 1  24 GLN H    1  25 ASP H    3.540     . 3.540 2.545 2.503 2.598     .  0 0 "[    .    1    .    2]" 1 
         50 1   5 ASP HA   1   7 ALA H    4.120     . 4.120 3.661 3.356 4.123 0.003 17 0 "[    .    1    .    2]" 1 
         51 1   6 PRO HA   1   7 ALA H    3.510     . 3.510 3.439 3.355 3.512 0.002 14 0 "[    .    1    .    2]" 1 
         52 1  22 LEU HA   1  25 ASP H    3.880     . 3.880 3.569 3.476 3.704     .  0 0 "[    .    1    .    2]" 1 
         53 1   6 PRO QG   1   7 ALA H    3.590     . 3.590 2.779 2.374 3.128     .  0 0 "[    .    1    .    2]" 1 
         54 1   7 ALA H    1   7 ALA MB   2.870     . 2.870 2.238 2.042 2.396     .  0 0 "[    .    1    .    2]" 1 
         55 1  73 THR HB   1  74 LYS H    3.780     . 3.780 3.125 2.418 3.781 0.001  3 0 "[    .    1    .    2]" 1 
         56 1  73 THR HA   1  74 LYS H    3.140     . 3.140 2.402 2.284 2.479     .  0 0 "[    .    1    .    2]" 1 
         57 1  74 LYS H    1  74 LYS QG   3.890     . 3.890 2.667 2.003 3.919 0.029  9 0 "[    .    1    .    2]" 1 
         58 1   8 GLN HA   1   9 LEU H    3.460     . 3.460 2.965 2.468 3.454     .  0 0 "[    .    1    .    2]" 1 
         59 1   9 LEU H    1   9 LEU HG   4.220     . 4.220 2.638 1.992 4.110     .  0 0 "[    .    1    .    2]" 1 
         60 1  52 ASP HA   1  53 TYR H    3.490     . 3.490 2.411 2.206 2.640     .  0 0 "[    .    1    .    2]" 1 
         61 1  45 THR H    1  45 THR HB   3.560     . 3.560 2.563 2.158 2.679     .  0 0 "[    .    1    .    2]" 1 
         62 1  14 THR HB   1  15 ARG H    3.800 3.800 3.800 3.732 3.703 3.749 0.097 18 0 "[    .    1    .    2]" 1 
         63 1  15 ARG H    1  15 ARG HB2  3.730     . 3.730 2.278 2.029 3.519     .  0 0 "[    .    1    .    2]" 1 
         64 1  15 ARG H    1  15 ARG HB3  3.730     . 3.730 2.851 2.243 3.202     .  0 0 "[    .    1    .    2]" 1 
         65 1  88 ARG HA   1  89 SER H    3.300     . 3.300 2.765 2.148 3.334 0.034 18 0 "[    .    1    .    2]" 1 
         66 1  76 LEU H    1  77 GLU H    3.770     . 3.770 2.651 2.552 2.729     .  0 0 "[    .    1    .    2]" 1 
         67 1  76 LEU H    1  76 LEU HB3  3.620     . 3.620 2.400 2.365 2.429     .  0 0 "[    .    1    .    2]" 1 
         68 1  76 LEU H    1  76 LEU HB2  3.620     . 3.620 2.618 2.586 2.672     .  0 0 "[    .    1    .    2]" 1 
         69 1  26 ILE HB   1  27 VAL H    3.220     . 3.220 2.358 2.296 2.449     .  0 0 "[    .    1    .    2]" 1 
         70 1  26 ILE MG   1  27 VAL H    3.920     . 3.920 3.307 3.151 3.460     .  0 0 "[    .    1    .    2]" 1 
         71 1  27 VAL H    1  27 VAL MG1  3.420     . 3.420 2.185 2.066 2.401     .  0 0 "[    .    1    .    2]" 1 
         72 1  47 GLN H    1  48 SER H    3.850     . 3.850 2.710 2.687 2.749     .  0 0 "[    .    1    .    2]" 1 
         73 1  47 GLN H    1  47 GLN QG   4.100     . 4.100 3.895 3.626 4.009     .  0 0 "[    .    1    .    2]" 1 
         74 1  47 GLN H    1  47 GLN QB   3.790     . 3.790 2.190 2.065 2.245     .  0 0 "[    .    1    .    2]" 1 
         75 1  46 ILE HB   1  47 GLN H    3.810     . 3.810 2.442 2.402 2.503     .  0 0 "[    .    1    .    2]" 1 
         76 1  78 GLU H    1  79 LYS H    3.720     . 3.720 2.863 2.803 2.916     .  0 0 "[    .    1    .    2]" 1 
         77 1  79 LYS H    1  80 VAL H    3.540     . 3.540 2.746 2.712 2.777     .  0 0 "[    .    1    .    2]" 1 
         78 1  78 GLU HB2  1  79 LYS H    3.250     . 3.250 2.474 2.379 2.580     .  0 0 "[    .    1    .    2]" 1 
         79 1  79 LYS H    1  79 LYS QB   3.480     . 3.480 2.106 2.041 2.195     .  0 0 "[    .    1    .    2]" 1 
         80 1 108 MET H    1 109 TYR H    3.360     . 3.360 2.458 1.988 2.748     .  0 0 "[    .    1    .    2]" 1 
         81 1 109 TYR H    1 109 TYR QD   3.820     . 3.820 2.169 1.946 3.083     .  0 0 "[    .    1    .    2]" 1 
         82 1 107 SER HA   1 109 TYR H    3.780     . 3.780 3.360 3.052 3.705     .  0 0 "[    .    1    .    2]" 1 
         83 1 109 TYR H    1 109 TYR QB   3.780     . 3.780 2.797 2.175 3.183     .  0 0 "[    .    1    .    2]" 1 
         84 1 101 GLU H    1 101 GLU HB3  3.690     . 3.690 2.849 2.433 3.572     .  0 0 "[    .    1    .    2]" 1 
         85 1 101 GLU H    1 101 GLU HB2  3.690     . 3.690 2.496 2.305 2.594     .  0 0 "[    .    1    .    2]" 1 
         86 1  36 ALA HA   1  39 ALA H    4.080     . 4.080 3.670 3.636 3.698     .  0 0 "[    .    1    .    2]" 1 
         87 1  39 ALA H    1  39 ALA MB   3.100     . 3.100 2.030 2.002 2.055     .  0 0 "[    .    1    .    2]" 1 
         88 1  39 ALA H    1  76 LEU MD1  3.900     . 3.900 2.862 2.742 3.015     .  0 0 "[    .    1    .    2]" 1 
         89 1  96 ASP H    1  97 LEU H    3.660     . 3.660 2.677 2.577 2.721     .  0 0 "[    .    1    .    2]" 1 
         90 1  97 LEU H    1  98 GLU H    3.770     . 3.770 2.504 2.473 2.615     .  0 0 "[    .    1    .    2]" 1 
         91 1  97 LEU H    1  97 LEU HB2  3.490     . 3.490 2.318 2.071 2.418     .  0 0 "[    .    1    .    2]" 1 
         92 1  97 LEU H    1  97 LEU HB3  3.490     . 3.490 2.753 2.621 3.164     .  0 0 "[    .    1    .    2]" 1 
         93 1  97 LEU H    1  97 LEU MD1  4.330     . 4.330 3.778 3.062 3.969     .  0 0 "[    .    1    .    2]" 1 
         94 1  97 LEU H    1  97 LEU MD2  4.820     . 4.820 4.199 4.062 4.272     .  0 0 "[    .    1    .    2]" 1 
         95 1  60 VAL MG1  1  61 ASP H    4.240     . 4.240 3.357 1.900 4.084     .  0 0 "[    .    1    .    2]" 1 
         96 1  60 VAL MG2  1  61 ASP H    4.560     . 4.560 3.270 1.924 4.199     .  0 0 "[    .    1    .    2]" 1 
         97 1  83 LEU H    1  84 HIS H    3.780     . 3.780 2.686 2.612 2.761     .  0 0 "[    .    1    .    2]" 1 
         98 1  84 HIS H    1  84 HIS HB3  3.810     . 3.810 2.630 2.535 2.736     .  0 0 "[    .    1    .    2]" 1 
         99 1  84 HIS H    1  84 HIS HB2  3.810     . 3.810 2.428 2.338 2.520     .  0 0 "[    .    1    .    2]" 1 
        100 1 105 LYS H    1 105 LYS QB   3.470     . 3.470 2.124 2.040 2.270     .  0 0 "[    .    1    .    2]" 1 
        101 1  66 PHE H    1  66 PHE QD   3.860     . 3.860 2.513 2.195 2.805     .  0 0 "[    .    1    .    2]" 1 
        102 1  66 PHE H    1  66 PHE HB2  3.890     . 3.890 2.480 2.335 2.627     .  0 0 "[    .    1    .    2]" 1 
        103 1  66 PHE H    1  66 PHE HB3  3.890     . 3.890 3.657 3.588 3.746     .  0 0 "[    .    1    .    2]" 1 
        104 1  58 HIS H    1  58 HIS HB2  4.150     . 4.150 2.812 2.275 3.632     .  0 0 "[    .    1    .    2]" 1 
        105 1  12 ASP H    1  13 ILE H    3.840     . 3.840 2.564 2.480 2.795     .  0 0 "[    .    1    .    2]" 1 
        106 1  12 ASP H    1  12 ASP QB   3.550     . 3.550 2.205 2.094 2.560     .  0 0 "[    .    1    .    2]" 1 
        107 1  11 GLU QB   1  12 ASP H    3.860     . 3.860 2.842 2.713 3.214     .  0 0 "[    .    1    .    2]" 1 
        108 1  22 LEU H    1  22 LEU HG   4.060     . 4.060 3.172 2.888 4.026     .  0 0 "[    .    1    .    2]" 1 
        109 1  98 GLU H    1  98 GLU HG3  4.060     . 4.060 3.555 2.336 3.849     .  0 0 "[    .    1    .    2]" 1 
        110 1  98 GLU H    1  98 GLU QB   3.580     . 3.580 2.228 2.063 2.410     .  0 0 "[    .    1    .    2]" 1 
        111 1  39 ALA H    1  40 LEU H    3.670     . 3.670 2.572 2.514 2.620     .  0 0 "[    .    1    .    2]" 1 
        112 1  82 GLU H    1  82 GLU QB   3.050     . 3.050 2.137 2.040 2.240     .  0 0 "[    .    1    .    2]" 1 
        113 1  40 LEU H    1  40 LEU HB3  3.670     . 3.670 2.424 2.396 2.496     .  0 0 "[    .    1    .    2]" 1 
        114 1  40 LEU H    1  40 LEU HB2  3.670     . 3.670 2.614 2.539 2.641     .  0 0 "[    .    1    .    2]" 1 
        115 1  39 ALA MB   1  40 LEU H    3.540     . 3.540 2.792 2.769 2.818     .  0 0 "[    .    1    .    2]" 1 
        116 1  46 ILE H    1  46 ILE HB   3.660     . 3.660 2.518 2.474 2.576     .  0 0 "[    .    1    .    2]" 1 
        117 1 100 LEU H    1 101 GLU H    3.740     . 3.740 2.689 2.644 2.723     .  0 0 "[    .    1    .    2]" 1 
        118 1  99 PHE HB3  1 100 LEU H    4.320     . 4.320 2.643 2.556 2.759     .  0 0 "[    .    1    .    2]" 1 
        119 1  96 ASP H    1  96 ASP HB3  3.820     . 3.820 3.428 2.546 3.587     .  0 0 "[    .    1    .    2]" 1 
        120 1  96 ASP H    1  96 ASP HB2  3.820     . 3.820 2.249 2.059 2.659     .  0 0 "[    .    1    .    2]" 1 
        121 1 100 LEU H    1 100 LEU HG   3.620     . 3.620 2.499 2.368 2.626     .  0 0 "[    .    1    .    2]" 1 
        122 1 100 LEU H    1 100 LEU HB2  3.780     . 3.780 2.373 2.313 2.421     .  0 0 "[    .    1    .    2]" 1 
        123 1 100 LEU H    1 100 LEU HB3  3.780     . 3.780 3.571 3.554 3.581     .  0 0 "[    .    1    .    2]" 1 
        124 1  95 ALA MB   1  96 ASP H    3.620     . 3.620 2.584 2.446 2.685     .  0 0 "[    .    1    .    2]" 1 
        125 1 100 LEU H    1 100 LEU MD1  3.910     . 3.910 3.774 3.455 3.866     .  0 0 "[    .    1    .    2]" 1 
        126 1  88 ARG H    1  88 ARG QB   3.220     . 3.220 2.748 2.044 3.262 0.042 11 0 "[    .    1    .    2]" 1 
        127 1  80 VAL H    1  80 VAL HB   3.490     . 3.490 2.551 2.514 2.599     .  0 0 "[    .    1    .    2]" 1 
        128 1  80 VAL H    1  80 VAL MG2  3.460     . 3.460 2.236 2.165 2.295     .  0 0 "[    .    1    .    2]" 1 
        129 1 104 LYS H    1 104 LYS HB3  3.780     . 3.780 3.052 2.583 3.528     .  0 0 "[    .    1    .    2]" 1 
        130 1 103 ALA MB   1 104 LYS H    3.900     . 3.900 2.638 2.600 2.693     .  0 0 "[    .    1    .    2]" 1 
        131 1  35 PHE HB2  1  36 ALA H    3.910     . 3.910 3.862 3.808 3.912 0.002 15 0 "[    .    1    .    2]" 1 
        132 1  35 PHE HB3  1  36 ALA H    3.910     . 3.910 2.478 2.399 2.559     .  0 0 "[    .    1    .    2]" 1 
        133 1  36 ALA H    1  36 ALA MB   3.080     . 3.080 2.162 2.151 2.195     .  0 0 "[    .    1    .    2]" 1 
        134 1  21 GLN H    1  22 LEU H    3.650     . 3.650 2.671 2.551 2.722     .  0 0 "[    .    1    .    2]" 1 
        135 1  63 VAL H    1  63 VAL HB   3.590     . 3.590 2.693 2.615 2.781     .  0 0 "[    .    1    .    2]" 1 
        136 1  20 LEU QB   1  21 GLN H    3.550     . 3.550 2.510 2.377 2.779     .  0 0 "[    .    1    .    2]" 1 
        137 1  19 CYS H    1  20 LEU H    3.840     . 3.840 2.758 2.690 2.818     .  0 0 "[    .    1    .    2]" 1 
        138 1  20 LEU H    1  21 GLN H    3.750     . 3.750 2.739 2.630 2.825     .  0 0 "[    .    1    .    2]" 1 
        139 1  17 TYR HA   1  20 LEU H    3.860     . 3.860 3.576 3.444 3.684     .  0 0 "[    .    1    .    2]" 1 
        140 1  94 GLN H    1  94 GLN QG   3.850     . 3.850 3.241 2.239 3.790     .  0 0 "[    .    1    .    2]" 1 
        141 1  94 GLN H    1  94 GLN HB3  3.940     . 3.940 3.396 3.102 3.590     .  0 0 "[    .    1    .    2]" 1 
        142 1  20 LEU H    1  20 LEU QB   3.320     . 3.320 2.338 2.231 2.429     .  0 0 "[    .    1    .    2]" 1 
        143 1  20 LEU H    1  20 LEU HG   3.760     . 3.760 2.470 2.259 2.729     .  0 0 "[    .    1    .    2]" 1 
        144 1  52 ASP H    1  52 ASP QB   3.440     . 3.440 2.301 2.090 3.034     .  0 0 "[    .    1    .    2]" 1 
        145 1  30 ARG H    1  31 LEU H    3.570     . 3.570 2.515 2.363 2.576     .  0 0 "[    .    1    .    2]" 1 
        146 1  31 LEU H    1  31 LEU HB2  4.040     . 4.040 2.995 2.720 3.121     .  0 0 "[    .    1    .    2]" 1 
        147 1  41 LEU H    1  41 LEU HG   3.490     . 3.490 2.114 1.955 2.242     .  0 0 "[    .    1    .    2]" 1 
        148 1 106 LEU H    1 107 SER H    3.750     . 3.750 2.313 2.071 2.567     .  0 0 "[    .    1    .    2]" 1 
        149 1 105 LYS H    1 106 LEU H    3.670     . 3.670 2.505 2.412 2.615     .  0 0 "[    .    1    .    2]" 1 
        150 1 103 ALA HA   1 106 LEU H    4.130     . 4.130 3.464 3.317 3.652     .  0 0 "[    .    1    .    2]" 1 
        151 1 105 LYS QB   1 106 LEU H    3.840     . 3.840 3.060 2.968 3.115     .  0 0 "[    .    1    .    2]" 1 
        152 1 106 LEU H    1 106 LEU QB   3.050     . 3.050 2.352 2.095 2.439     .  0 0 "[    .    1    .    2]" 1 
        153 1 106 LEU H    1 106 LEU MD1  4.440     . 4.440 3.613 2.821 4.336     .  0 0 "[    .    1    .    2]" 1 
        154 1 106 LEU H    1 106 LEU MD2  4.660     . 4.660 3.504 2.541 4.430     .  0 0 "[    .    1    .    2]" 1 
        155 1  82 GLU QB   1  83 LEU H    3.700     . 3.700 2.374 2.227 2.590     .  0 0 "[    .    1    .    2]" 1 
        156 1  83 LEU H    1  83 LEU HG   3.420     . 3.420 2.522 2.312 2.754     .  0 0 "[    .    1    .    2]" 1 
        157 1  83 LEU H    1  83 LEU MD2  3.980     . 3.980 3.801 3.608 3.986 0.006 11 0 "[    .    1    .    2]" 1 
        158 1  74 LYS H    1  75 GLU H    3.700     . 3.700 2.876 2.776 2.946     .  0 0 "[    .    1    .    2]" 1 
        159 1  75 GLU H    1  76 LEU H    3.750     . 3.750 2.810 2.657 2.875     .  0 0 "[    .    1    .    2]" 1 
        160 1  33 CYS HA   1  34 SER H    3.280     . 3.280 2.429 2.189 2.462     .  0 0 "[    .    1    .    2]" 1 
        161 1  75 GLU H    1  75 GLU HB2  3.810     . 3.810 2.417 2.071 3.573     .  0 0 "[    .    1    .    2]" 1 
        162 1  75 GLU H    1  75 GLU HB3  3.810     . 3.810 3.404 2.782 3.591     .  0 0 "[    .    1    .    2]" 1 
        163 1  74 LYS HB2  1  75 GLU H    3.990     . 3.990 3.264 2.550 3.879     .  0 0 "[    .    1    .    2]" 1 
        164 1  30 ARG H    1  30 ARG HB2  3.910     . 3.910 2.352 2.136 2.561     .  0 0 "[    .    1    .    2]" 1 
        165 1  30 ARG H    1  30 ARG HB3  3.910     . 3.910 3.205 2.659 3.653     .  0 0 "[    .    1    .    2]" 1 
        166 1  28 ALA MB   1  30 ARG H    3.590     . 3.590 3.213 2.975 3.454     .  0 0 "[    .    1    .    2]" 1 
        167 1  65 ASP H    1  66 PHE H    3.440     . 3.440 2.253 2.154 2.343     .  0 0 "[    .    1    .    2]" 1 
        168 1  64 SER H    1  65 ASP H    3.440     . 3.440 2.681 2.625 2.716     .  0 0 "[    .    1    .    2]" 1 
        169 1  65 ASP H    1  65 ASP HB2  3.630     . 3.630 2.383 2.142 3.635 0.005  8 0 "[    .    1    .    2]" 1 
        170 1  65 ASP H    1  65 ASP HB3  3.630     . 3.630 3.211 2.578 3.628     .  0 0 "[    .    1    .    2]" 1 
        171 1  56 GLU HB2  1  57 LEU H    4.910     . 4.910 3.791 3.635 4.056     .  0 0 "[    .    1    .    2]" 1 
        172 1  56 GLU HB3  1  57 LEU H    4.910     . 4.910 4.087 3.913 4.178     .  0 0 "[    .    1    .    2]" 1 
        173 1  57 LEU H    1  57 LEU HG   4.110     . 4.110 2.677 2.161 4.118 0.008  2 0 "[    .    1    .    2]" 1 
        174 1  57 LEU H    1  57 LEU HB2  3.820     . 3.820 2.510 2.245 2.659     .  0 0 "[    .    1    .    2]" 1 
        175 1  57 LEU H    1  57 LEU HB3  4.020     . 4.020 3.632 3.524 3.707     .  0 0 "[    .    1    .    2]" 1 
        176 1  57 LEU H    1  57 LEU MD1  4.380     . 4.380 3.791 3.672 3.955     .  0 0 "[    .    1    .    2]" 1 
        177 1  61 ASP H    1  62 TYR H    3.810     . 3.810 2.737 2.347 3.109     .  0 0 "[    .    1    .    2]" 1 
        178 1  62 TYR H    1  62 TYR QD   3.740     . 3.740 2.499 2.049 2.859     .  0 0 "[    .    1    .    2]" 1 
        179 1  62 TYR H    1  62 TYR HB3  3.960     . 3.960 2.834 2.504 3.033     .  0 0 "[    .    1    .    2]" 1 
        180 1  77 GLU H    1  78 GLU H    3.910     . 3.910 2.821 2.781 2.853     .  0 0 "[    .    1    .    2]" 1 
        181 1  72 GLN HG2  1  77 GLU H    4.790     . 4.790 3.756 3.560 3.962     .  0 0 "[    .    1    .    2]" 1 
        182 1  77 GLU H    1  77 GLU HB2  3.930     . 3.930 2.257 2.077 2.580     .  0 0 "[    .    1    .    2]" 1 
        183 1  77 GLU H    1  77 GLU HG3  4.470     . 4.470 2.948 2.051 4.016     .  0 0 "[    .    1    .    2]" 1 
        184 1  77 GLU H    1  77 GLU HB3  3.930     . 3.930 3.474 3.005 3.597     .  0 0 "[    .    1    .    2]" 1 
        185 1  75 GLU HA   1  78 GLU H    3.780     . 3.780 3.793 3.785 3.803 0.023 15 0 "[    .    1    .    2]" 1 
        186 1  78 GLU H    1  78 GLU HG2  3.660     . 3.660 2.939 2.135 3.588     .  0 0 "[    .    1    .    2]" 1 
        187 1  78 GLU H    1  78 GLU HG3  3.660     . 3.660 2.855 2.184 3.480     .  0 0 "[    .    1    .    2]" 1 
        188 1  78 GLU H    1  81 MET ME   3.500     . 3.500 3.464 3.317 3.513 0.013 19 0 "[    .    1    .    2]" 1 
        189 1  80 VAL H    1  81 MET H    3.750     . 3.750 2.691 2.641 2.733     .  0 0 "[    .    1    .    2]" 1 
        190 1  81 MET H    1  82 GLU H    3.770     . 3.770 2.608 2.580 2.634     .  0 0 "[    .    1    .    2]" 1 
        191 1  80 VAL HB   1  81 MET H    3.450     . 3.450 2.398 2.341 2.477     .  0 0 "[    .    1    .    2]" 1 
        192 1  43 SER H    1  43 SER HB3  3.980     . 3.980 3.195 2.354 3.589     .  0 0 "[    .    1    .    2]" 1 
        193 1   8 GLN H    1   8 GLN QG   3.660     . 3.660 2.676 2.268 2.940     .  0 0 "[    .    1    .    2]" 1 
        194 1   8 GLN H    1   8 GLN HB2  4.130     . 4.130 2.968 2.237 3.650     .  0 0 "[    .    1    .    2]" 1 
        195 1   8 GLN H    1   8 GLN HB3  4.130     . 4.130 3.763 2.688 4.088     .  0 0 "[    .    1    .    2]" 1 
        196 1   7 ALA MB   1   8 GLN H    3.700     . 3.700 2.979 1.994 3.636     .  0 0 "[    .    1    .    2]" 1 
        197 1  23 ARG H    1  24 GLN H    3.750     . 3.750 2.584 2.522 2.627     .  0 0 "[    .    1    .    2]" 1 
        198 1  24 GLN H    1  24 GLN HG3  4.010     . 4.010 3.278 1.927 4.010     .  0 0 "[    .    1    .    2]" 1 
        199 1  24 GLN H    1  24 GLN HB2  3.720     . 3.720 2.594 2.077 3.617     .  0 0 "[    .    1    .    2]" 1 
        200 1  24 GLN H    1  24 GLN HB3  3.720     . 3.720 3.196 2.590 3.534     .  0 0 "[    .    1    .    2]" 1 
        201 1  37 THR H    1  38 LEU H    3.730     . 3.730 2.589 2.502 2.743     .  0 0 "[    .    1    .    2]" 1 
        202 1  36 ALA H    1  37 THR H    3.750     . 3.750 2.884 2.825 2.960     .  0 0 "[    .    1    .    2]" 1 
        203 1  37 THR H    1  37 THR HB   3.450     . 3.450 2.464 2.409 2.520     .  0 0 "[    .    1    .    2]" 1 
        204 1  68 LEU H    1  69 ALA H    3.270     . 3.270 2.296 2.164 2.373     .  0 0 "[    .    1    .    2]" 1 
        205 1  67 LYS HA   1  69 ALA H    3.860     . 3.860 3.351 3.300 3.430     .  0 0 "[    .    1    .    2]" 1 
        206 1  69 ALA H    1  69 ALA MB   3.510     . 3.510 2.835 2.762 2.890     .  0 0 "[    .    1    .    2]" 1 
        207 1  27 VAL MG1  1  69 ALA H    4.450     . 4.450 3.039 2.766 3.508     .  0 0 "[    .    1    .    2]" 1 
        208 1 107 SER HA   1 108 MET H    3.550     . 3.550 2.709 2.318 2.896     .  0 0 "[    .    1    .    2]" 1 
        209 1 108 MET H    1 108 MET HG2  3.980     . 3.980 2.611 1.979 3.642     .  0 0 "[    .    1    .    2]" 1 
        210 1  16 TYR H    1  17 TYR H    3.560     . 3.560 2.881 2.652 3.006     .  0 0 "[    .    1    .    2]" 1 
        211 1  19 CYS H    1  19 CYS HB2  4.030     . 4.030 2.330 2.067 2.628     .  0 0 "[    .    1    .    2]" 1 
        212 1  18 LEU HB3  1  19 CYS H    3.990     . 3.990 2.321 2.313 2.374     .  0 0 "[    .    1    .    2]" 1 
        213 1  50 LEU H    1  50 LEU HB2  3.810     . 3.810 2.541 2.506 2.582     .  0 0 "[    .    1    .    2]" 1 
        214 1  27 VAL HB   1  28 ALA H    4.070     . 4.070 3.830 3.799 3.873     .  0 0 "[    .    1    .    2]" 1 
        215 1  36 ALA MB   1  37 THR H    3.500     . 3.500 2.600 2.495 2.694     .  0 0 "[    .    1    .    2]" 1 
        216 1  27 VAL MG2  1  28 ALA H    3.520     . 3.520 2.098 1.893 2.231     .  0 0 "[    .    1    .    2]" 1 
        217 1  59 GLY HA2  1  60 VAL H    3.550     . 3.550 2.944 2.136 3.558 0.008  1 0 "[    .    1    .    2]" 1 
        218 1  59 GLY HA3  1  60 VAL H    3.550     . 3.550 2.623 2.137 3.563 0.013 16 0 "[    .    1    .    2]" 1 
        219 1  60 VAL H    1  60 VAL HB   4.010     . 4.010 3.660 2.902 3.937     .  0 0 "[    .    1    .    2]" 1 
        220 1 101 GLU H    1 102 ASN H    3.690     . 3.690 2.526 2.493 2.547     .  0 0 "[    .    1    .    2]" 1 
        221 1 102 ASN H    1 103 ALA H    3.990     . 3.990 2.581 2.561 2.600     .  0 0 "[    .    1    .    2]" 1 
        222 1 102 ASN H    1 102 ASN HB2  3.740     . 3.740 2.092 2.082 2.111     .  0 0 "[    .    1    .    2]" 1 
        223 1 101 GLU QG   1 102 ASN H    4.210     . 4.210 4.029 3.742 4.263 0.053 19 0 "[    .    1    .    2]" 1 
        224 1  14 THR H    1  14 THR HB   3.780     . 3.780 2.435 2.394 2.472     .  0 0 "[    .    1    .    2]" 1 
        225 1  85 LYS H    1  86 SER H    3.740     . 3.740 2.527 2.389 2.647     .  0 0 "[    .    1    .    2]" 1 
        226 1  56 GLU H    1  57 LEU H    3.250     . 3.250 2.559 2.307 2.647     .  0 0 "[    .    1    .    2]" 1 
        227 1  82 GLU HA   1  85 LYS H    3.920     . 3.920 3.815 3.706 3.920     .  0 0 "[    .    1    .    2]" 1 
        228 1  84 HIS HB3  1  85 LYS H    4.220     . 4.220 2.255 2.220 2.370     .  0 0 "[    .    1    .    2]" 1 
        229 1  56 GLU H    1  56 GLU HG3  3.860     . 3.860 3.089 2.186 3.729     .  0 0 "[    .    1    .    2]" 1 
        230 1  56 GLU H    1  56 GLU HG2  3.860     . 3.860 2.181 1.974 2.577     .  0 0 "[    .    1    .    2]" 1 
        231 1  85 LYS H    1  85 LYS HB2  4.070     . 4.070 2.480 2.080 2.673     .  0 0 "[    .    1    .    2]" 1 
        232 1  85 LYS H    1  85 LYS HB3  4.070     . 4.070 2.917 2.446 3.614     .  0 0 "[    .    1    .    2]" 1 
        233 1  85 LYS H    1  85 LYS HG2  4.770     . 4.770 4.233 3.549 4.515     .  0 0 "[    .    1    .    2]" 1 
        234 1  85 LYS H    1  85 LYS QD   5.160     . 5.160 3.924 2.671 4.592     .  0 0 "[    .    1    .    2]" 1 
        235 1  49 GLU H    1  50 LEU H    3.730     . 3.730 2.464 2.440 2.485     .  0 0 "[    .    1    .    2]" 1 
        236 1  49 GLU H    1  49 GLU HB3  3.900     . 3.900 3.345 3.251 3.446     .  0 0 "[    .    1    .    2]" 1 
        237 1  49 GLU H    1  49 GLU HB2  3.900     . 3.900 2.125 2.114 2.151     .  0 0 "[    .    1    .    2]" 1 
        238 1  92 PRO HG3  1  93 ALA H    4.380     . 4.380 3.964 3.728 4.416 0.036 10 0 "[    .    1    .    2]" 1 
        239 1  93 ALA H    1  93 ALA MB   3.030     . 3.030 2.150 2.044 2.237     .  0 0 "[    .    1    .    2]" 1 
        240 1  72 GLN HA   1  73 THR H    3.130     . 3.130 2.132 2.125 2.137     .  0 0 "[    .    1    .    2]" 1 
        241 1  73 THR H    1  73 THR MG   3.420     . 3.420 2.286 1.941 3.148     .  0 0 "[    .    1    .    2]" 1 
        242 1  73 THR H    1  76 LEU MD2  3.920     . 3.920 2.832 2.365 3.047     .  0 0 "[    .    1    .    2]" 1 
        243 1  86 SER H    1  86 SER HB2  4.120     . 4.120 2.735 2.075 3.580     .  0 0 "[    .    1    .    2]" 1 
        244 1  10 THR H    1  10 THR HB   3.830     . 3.830 3.269 2.574 3.591     .  0 0 "[    .    1    .    2]" 1 
        245 1   8 GLN HA   1  10 THR H    4.180     . 4.180 3.676 3.019 4.185 0.005 20 0 "[    .    1    .    2]" 1 
        246 1  10 THR H    1  10 THR MG   3.790     . 3.790 2.911 2.084 3.750     .  0 0 "[    .    1    .    2]" 1 
        247 1  64 SER H    1  64 SER HB3  3.560     . 3.560 2.933 2.290 3.571 0.011  9 0 "[    .    1    .    2]" 1 
        248 1  64 SER H    1  64 SER HB2  3.560     . 3.560 2.561 2.060 3.555     .  0 0 "[    .    1    .    2]" 1 
        249 1   8 GLN HE22 1   8 GLN QG   3.820     . 3.820 3.285 3.217 3.439     .  0 0 "[    .    1    .    2]" 1 
        250 1  94 GLN HE22 1  94 GLN QG   3.660     . 3.660 3.293 3.217 3.415     .  0 0 "[    .    1    .    2]" 1 
        251 1  48 SER H    1  49 GLU H    3.840     . 3.840 2.414 2.397 2.442     .  0 0 "[    .    1    .    2]" 1 
        252 1  50 LEU H    1  51 GLY H    3.400     . 3.400 2.233 2.178 2.298     .  0 0 "[    .    1    .    2]" 1 
        253 1  58 HIS HA   1  59 GLY H    3.510     . 3.510 2.685 2.211 3.542 0.032  3 0 "[    .    1    .    2]" 1 
        254 1  42 GLY H    1  43 SER H    3.920     . 3.920 2.658 2.629 2.678     .  0 0 "[    .    1    .    2]" 1 
        255 1  29 GLY H    1  30 ARG H    3.500     . 3.500 2.598 2.547 2.716     .  0 0 "[    .    1    .    2]" 1 
        256 1  28 ALA MB   1  29 GLY H    3.820     . 3.820 3.294 3.270 3.317     .  0 0 "[    .    1    .    2]" 1 
        257 1  32 PRO HA   1  33 CYS H    2.930     . 2.930 2.153 2.147 2.157     .  0 0 "[    .    1    .    2]" 1 
        258 1  32 PRO HB3  1  33 CYS H    4.170     . 4.170 3.906 3.484 4.145     .  0 0 "[    .    1    .    2]" 1 
        259 1  32 PRO HB2  1  33 CYS H    4.170     . 4.170 3.750 3.560 4.021     .  0 0 "[    .    1    .    2]" 1 
        260 1  43 SER H    1  44 TYR H    4.070     . 4.070 2.794 2.729 2.831     .  0 0 "[    .    1    .    2]" 1 
        261 1  44 TYR H    1  44 TYR HB3  4.070     . 4.070 3.548 3.514 3.568     .  0 0 "[    .    1    .    2]" 1 
        262 1  44 TYR H    1  44 TYR HB2  4.070     . 4.070 2.282 2.219 2.331     .  0 0 "[    .    1    .    2]" 1 
        263 1  72 GLN H    1  72 GLN HG2  5.000     . 5.000 4.559 4.469 4.636     .  0 0 "[    .    1    .    2]" 1 
        264 1  90 MET HG3  1  95 ALA H    5.240     . 5.240 4.255 3.624 4.718     .  0 0 "[    .    1    .    2]" 1 
        265 1  68 LEU H    1  68 LEU HB3  4.140     . 4.140 3.643 3.621 3.687     .  0 0 "[    .    1    .    2]" 1 
        266 1  15 ARG HA   1  18 LEU H    4.130     . 4.130 3.455 3.339 3.591     .  0 0 "[    .    1    .    2]" 1 
        267 1  18 LEU H    1  18 LEU HG   4.810     . 4.810 4.544 4.501 4.570     .  0 0 "[    .    1    .    2]" 1 
        268 1  67 LYS H    1  67 LYS HG2  4.240     . 4.240 3.041 2.068 3.943     .  0 0 "[    .    1    .    2]" 1 
        269 1  12 ASP QB   1  13 ILE H    4.080     . 4.080 2.463 2.357 2.584     .  0 0 "[    .    1    .    2]" 1 
        270 1  13 ILE H    1  13 ILE HG13 4.100     . 4.100 3.299 2.247 3.605     .  0 0 "[    .    1    .    2]" 1 
        271 1  13 ILE H    1  13 ILE MG   4.080     . 4.080 3.759 3.752 3.765     .  0 0 "[    .    1    .    2]" 1 
        272 1 102 ASN HB2  1 103 ALA H    4.050     . 4.050 2.840 2.739 2.888     .  0 0 "[    .    1    .    2]" 1 
        273 1 102 ASN HB3  1 103 ALA H    3.980     . 3.980 2.859 2.823 2.927     .  0 0 "[    .    1    .    2]" 1 
        274 1  41 LEU MD2  1 103 ALA H    4.070     . 4.070 3.415 3.173 3.900     .  0 0 "[    .    1    .    2]" 1 
        275 1  35 PHE H    1  35 PHE HB3  3.970     . 3.970 2.451 2.415 2.480     .  0 0 "[    .    1    .    2]" 1 
        276 1   7 ALA H    1   9 LEU H    4.830     . 4.830 4.654 3.938 4.847 0.017 10 0 "[    .    1    .    2]" 1 
        277 1   6 PRO HD3  1   7 ALA H    3.970     . 3.970 3.880 3.735 3.971 0.001 15 0 "[    .    1    .    2]" 1 
        278 1  73 THR MG   1  74 LYS H    3.960     . 3.960 3.755 3.527 3.950     .  0 0 "[    .    1    .    2]" 1 
        279 1   8 GLN HB2  1   9 LEU H    4.500     . 4.500 3.994 3.111 4.451     .  0 0 "[    .    1    .    2]" 1 
        280 1   8 GLN HB3  1   9 LEU H    4.500     . 4.500 4.308 3.737 4.482     .  0 0 "[    .    1    .    2]" 1 
        281 1   9 LEU H    1   9 LEU MD2  4.080     . 4.080 2.192 1.905 3.528     .  0 0 "[    .    1    .    2]" 1 
        282 1  45 THR H    1  46 ILE H    3.960     . 3.960 2.686 2.624 2.734     .  0 0 "[    .    1    .    2]" 1 
        283 1  53 TYR H    1  53 TYR HB2  4.070     . 4.070 2.483 2.327 2.586     .  0 0 "[    .    1    .    2]" 1 
        284 1  53 TYR H    1  53 TYR HB3  4.070     . 4.070 2.635 2.519 2.790     .  0 0 "[    .    1    .    2]" 1 
        285 1  88 ARG QB   1  89 SER H    4.040     . 4.040 2.747 1.873 3.884     .  0 0 "[    .    1    .    2]" 1 
        286 1  79 LYS H    1  80 VAL MG2  4.250     . 4.250 4.175 4.066 4.256 0.006 14 0 "[    .    1    .    2]" 1 
        287 1 108 MET HB3  1 109 TYR H    4.590     . 4.590 4.048 3.617 4.570     .  0 0 "[    .    1    .    2]" 1 
        288 1  98 GLU HA   1 101 GLU H    4.060     . 4.060 3.853 3.721 3.924     .  0 0 "[    .    1    .    2]" 1 
        289 1  38 LEU HB2  1  39 ALA H    4.670     . 4.670 2.565 2.463 2.641     .  0 0 "[    .    1    .    2]" 1 
        290 1  61 ASP H    1  61 ASP HB3  4.180     . 4.180 3.732 2.912 4.103     .  0 0 "[    .    1    .    2]" 1 
        291 1 105 LYS H    1 105 LYS HG2  4.770     . 4.770 4.453 3.912 4.660     .  0 0 "[    .    1    .    2]" 1 
        292 1 105 LYS H    1 105 LYS QD   5.210     . 5.210 3.845 3.159 4.723     .  0 0 "[    .    1    .    2]" 1 
        293 1  57 LEU HB3  1  58 HIS H    4.290     . 4.290 3.737 3.294 4.195     .  0 0 "[    .    1    .    2]" 1 
        294 1  98 GLU H    1  98 GLU HG2  4.060     . 4.060 2.928 2.353 4.088 0.028 20 0 "[    .    1    .    2]" 1 
        295 1  97 LEU HB2  1  98 GLU H    3.950     . 3.950 3.736 3.276 3.923     .  0 0 "[    .    1    .    2]" 1 
        296 1  97 LEU HB3  1  98 GLU H    3.950     . 3.950 2.797 2.523 2.953     .  0 0 "[    .    1    .    2]" 1 
        297 1  79 LYS HA   1  82 GLU H    3.960     . 3.960 3.574 3.488 3.700     .  0 0 "[    .    1    .    2]" 1 
        298 1  82 GLU H    1  82 GLU HG2  5.060     . 5.060 4.208 2.948 4.639     .  0 0 "[    .    1    .    2]" 1 
        299 1  36 ALA MB   1  40 LEU H    4.530     . 4.530 4.566 4.560 4.573 0.043 19 0 "[    .    1    .    2]" 1 
        300 1  46 ILE H    1  46 ILE HG12 4.180     . 4.180 2.118 2.027 2.206     .  0 0 "[    .    1    .    2]" 1 
        301 1  92 PRO HA   1  96 ASP H    4.360     . 4.360 4.233 4.047 4.370 0.010  4 0 "[    .    1    .    2]" 1 
        302 1  87 TYR QD   1  88 ARG H    4.260     . 4.260 3.775 3.219 4.129     .  0 0 "[    .    1    .    2]" 1 
        303 1 104 LYS H    1 105 LYS H    4.080     . 4.080 2.564 2.488 2.683     .  0 0 "[    .    1    .    2]" 1 
        304 1  35 PHE QD   1  36 ALA H    3.960     . 3.960 2.898 2.802 3.080     .  0 0 "[    .    1    .    2]" 1 
        305 1  63 VAL H    1  63 VAL MG1  4.050     . 4.050 3.762 3.746 3.794     .  0 0 "[    .    1    .    2]" 1 
        306 1  94 GLN H    1  94 GLN HB2  3.940     . 3.940 2.155 2.061 2.526     .  0 0 "[    .    1    .    2]" 1 
        307 1  29 GLY HA2  1  31 LEU H    4.480     . 4.480 3.062 3.010 3.188     .  0 0 "[    .    1    .    2]" 1 
        308 1  31 LEU H    1  32 PRO QD   5.250     . 5.250 4.030 3.678 4.209     .  0 0 "[    .    1    .    2]" 1 
        309 1  31 LEU H    1  31 LEU HB3  4.040     . 4.040 3.276 3.060 3.809     .  0 0 "[    .    1    .    2]" 1 
        310 1  40 LEU H    1  41 LEU H    3.980     . 3.980 2.700 2.683 2.718     .  0 0 "[    .    1    .    2]" 1 
        311 1  37 THR HA   1  41 LEU H    4.480     . 4.480 3.565 3.454 3.675     .  0 0 "[    .    1    .    2]" 1 
        312 1  38 LEU HA   1  41 LEU H    5.160     . 5.160 3.921 3.868 3.988     .  0 0 "[    .    1    .    2]" 1 
        313 1  40 LEU MD2  1  41 LEU H    3.990     . 3.990 2.720 2.452 2.901     .  0 0 "[    .    1    .    2]" 1 
        314 1  41 LEU H    1  41 LEU MD1  4.010     . 4.010 3.376 3.176 3.548     .  0 0 "[    .    1    .    2]" 1 
        315 1  41 LEU H    1  41 LEU MD2  4.080     . 4.080 3.407 3.205 3.498     .  0 0 "[    .    1    .    2]" 1 
        316 1  34 SER H    1  37 THR HB   4.000     . 4.000 2.639 2.480 2.957     .  0 0 "[    .    1    .    2]" 1 
        317 1  62 TYR H    1  62 TYR HB2  3.960     . 3.960 3.586 3.567 3.612     .  0 0 "[    .    1    .    2]" 1 
        318 1  74 LYS HA   1  77 GLU H    4.310     . 4.310 3.524 3.365 3.645     .  0 0 "[    .    1    .    2]" 1 
        319 1  43 SER H    1  80 VAL MG2  3.960     . 3.960 3.626 3.239 3.891     .  0 0 "[    .    1    .    2]" 1 
        320 1  22 LEU H    1  23 ARG H    3.950     . 3.950 2.698 2.551 2.847     .  0 0 "[    .    1    .    2]" 1 
        321 1  23 ARG H    1  23 ARG HG3  4.660     . 4.660 4.255 3.716 4.529     .  0 0 "[    .    1    .    2]" 1 
        322 1  24 GLN H    1  24 GLN HG2  4.010     . 4.010 3.196 2.136 3.956     .  0 0 "[    .    1    .    2]" 1 
        323 1  23 ARG HB2  1  24 GLN H    4.160     . 4.160 3.674 3.159 4.092     .  0 0 "[    .    1    .    2]" 1 
        324 1  23 ARG HB3  1  24 GLN H    4.160     . 4.160 3.019 2.853 3.296     .  0 0 "[    .    1    .    2]" 1 
        325 1  37 THR H    1  37 THR MG   3.980     . 3.980 3.737 3.732 3.743     .  0 0 "[    .    1    .    2]" 1 
        326 1  68 LEU HB3  1  69 ALA H    4.510     . 4.510 4.187 4.124 4.298     .  0 0 "[    .    1    .    2]" 1 
        327 1  71 ASN H    1  71 ASN HB3  4.110     . 4.110 3.307 2.886 3.745     .  0 0 "[    .    1    .    2]" 1 
        328 1 108 MET H    1 108 MET HG3  3.980     . 3.980 2.910 1.997 3.649     .  0 0 "[    .    1    .    2]" 1 
        329 1  70 PRO HG2  1  71 ASN H    4.010     . 4.010 2.154 1.974 3.169     .  0 0 "[    .    1    .    2]" 1 
        330 1  69 ALA MB   1  71 ASN H    3.960     . 3.960 2.846 2.530 3.643     .  0 0 "[    .    1    .    2]" 1 
        331 1 102 ASN H    1 102 ASN HD22 4.540     . 4.540 4.532 4.448 4.549 0.009  4 0 "[    .    1    .    2]" 1 
        332 1 102 ASN H    1 102 ASN HD21 4.540     . 4.540 2.959 2.809 3.217     .  0 0 "[    .    1    .    2]" 1 
        333 1  19 CYS H    1  19 CYS HB3  4.030     . 4.030 3.304 2.640 3.592     .  0 0 "[    .    1    .    2]" 1 
        334 1  14 THR H    1  14 THR MG   4.070     . 4.070 2.293 2.261 2.373     .  0 0 "[    .    1    .    2]" 1 
        335 1  84 HIS H    1  85 LYS H    4.040     . 4.040 2.868 2.805 2.937     .  0 0 "[    .    1    .    2]" 1 
        336 1  49 GLU H    1  49 GLU HG2  4.650     . 4.650 3.989 3.204 4.613     .  0 0 "[    .    1    .    2]" 1 
        337 1  91 THR HB   1  93 ALA H    3.940     . 3.940 3.108 2.729 3.506     .  0 0 "[    .    1    .    2]" 1 
        338 1  73 THR H    1  76 LEU HB3  4.260     . 4.260 2.197 2.028 2.270     .  0 0 "[    .    1    .    2]" 1 
        339 1  73 THR H    1  76 LEU HG   4.320     . 4.320 4.318 4.151 4.343 0.023  9 0 "[    .    1    .    2]" 1 
        340 1   9 LEU H    1  10 THR H    3.980     . 3.980 2.491 2.047 2.931     .  0 0 "[    .    1    .    2]" 1 
        341 1   9 LEU HB3  1  10 THR H    4.780     . 4.780 3.999 2.812 4.564     .  0 0 "[    .    1    .    2]" 1 
        342 1   9 LEU HG   1  10 THR H    5.020     . 5.020 2.970 1.985 4.990     .  0 0 "[    .    1    .    2]" 1 
        343 1  48 SER H    1  95 ALA MB   3.950     . 3.950 3.447 3.218 3.922     .  0 0 "[    .    1    .    2]" 1 
        344 1  58 HIS H    1  59 GLY H    4.550     . 4.550 3.986 2.678 4.552 0.002  1 0 "[    .    1    .    2]" 1 
        345 1  41 LEU H    1  42 GLY H    3.980     . 3.980 2.610 2.554 2.645     .  0 0 "[    .    1    .    2]" 1 
        346 1  41 LEU HG   1  42 GLY H    4.420     . 4.420 4.266 4.115 4.355     .  0 0 "[    .    1    .    2]" 1 
        347 1  29 GLY H    1  70 PRO HG3  3.960     . 3.960 3.517 3.260 3.794     .  0 0 "[    .    1    .    2]" 1 
        348 1  68 LEU H    1  68 LEU HB2  4.140     . 4.140 2.741 2.646 2.899     .  0 0 "[    .    1    .    2]" 1 
        349 1  27 VAL MG1  1  68 LEU H    4.650     . 4.650 3.825 3.371 4.205     .  0 0 "[    .    1    .    2]" 1 
        350 1  68 LEU H    1  68 LEU MD2  4.850     . 4.850 3.501 3.016 4.026     .  0 0 "[    .    1    .    2]" 1 
        351 1  17 TYR HB2  1  18 LEU H    4.250     . 4.250 2.921 2.610 3.089     .  0 0 "[    .    1    .    2]" 1 
        352 1  17 TYR HB3  1  18 LEU H    4.250     . 4.250 3.669 3.307 3.862     .  0 0 "[    .    1    .    2]" 1 
        353 1  18 LEU H    1  18 LEU MD1  4.200     . 4.200 3.429 3.220 3.606     .  0 0 "[    .    1    .    2]" 1 
        354 1  37 THR MG   1  38 LEU H    4.090     . 4.090 3.557 3.437 3.614     .  0 0 "[    .    1    .    2]" 1 
        355 1  66 PHE HB2  1  67 LYS H    4.320     . 4.320 4.241 4.022 4.315     .  0 0 "[    .    1    .    2]" 1 
        356 1  67 LYS H    1  67 LYS QE   4.890     . 4.890 4.162 3.443 4.814     .  0 0 "[    .    1    .    2]" 1 
        357 1  67 LYS H    1  67 LYS HG3  4.240     . 4.240 3.032 2.308 4.059     .  0 0 "[    .    1    .    2]" 1 
        358 1  90 MET HG3  1  91 THR H    4.720     . 4.720 2.360 1.983 3.443     .  0 0 "[    .    1    .    2]" 1 
        359 1  34 SER HB2  1  35 PHE H    4.310     . 4.310 3.454 2.422 4.076     .  0 0 "[    .    1    .    2]" 1 
        360 1   6 PRO HD2  1   7 ALA H    4.210     . 4.210 2.706 2.449 2.866     .  0 0 "[    .    1    .    2]" 1 
        361 1  44 TYR HB3  1  45 THR H    4.340     . 4.340 3.386 3.269 3.489     .  0 0 "[    .    1    .    2]" 1 
        362 1  52 ASP QB   1  53 TYR H    4.270     . 4.270 2.636 1.989 3.443     .  0 0 "[    .    1    .    2]" 1 
        363 1  45 THR H    1  45 THR MG   4.170     . 4.170 3.706 2.887 3.754     .  0 0 "[    .    1    .    2]" 1 
        364 1  14 THR MG   1  15 ARG H    4.210     . 4.210 1.858 1.829 1.912     .  0 0 "[    .    1    .    2]" 1 
        365 1  88 ARG QG   1  89 SER H    4.520     . 4.520 3.765 2.217 4.547 0.027 11 0 "[    .    1    .    2]" 1 
        366 1  35 PHE HZ   1  76 LEU H    4.210     . 4.210 3.446 3.272 3.675     .  0 0 "[    .    1    .    2]" 1 
        367 1  76 LEU H    1  76 LEU MD2  4.260     . 4.260 4.192 4.162 4.241     .  0 0 "[    .    1    .    2]" 1 
        368 1  46 ILE MG   1  47 GLN H    4.180     . 4.180 3.281 3.187 3.419     .  0 0 "[    .    1    .    2]" 1 
        369 1  79 LYS H    1  79 LYS HD2  4.840     . 4.840 3.956 3.524 4.704     .  0 0 "[    .    1    .    2]" 1 
        370 1 104 LYS HA   1 109 TYR H    4.650     . 4.650 4.301 3.489 4.660 0.010  5 0 "[    .    1    .    2]" 1 
        371 1  16 TYR H    1  16 TYR QD   4.360     . 4.360 4.158 4.128 4.188     .  0 0 "[    .    1    .    2]" 1 
        372 1  61 ASP H    1  61 ASP HB2  4.180     . 4.180 2.973 2.204 3.649     .  0 0 "[    .    1    .    2]" 1 
        373 1  83 LEU HB3  1  84 HIS H    4.310     . 4.310 3.551 3.361 3.720     .  0 0 "[    .    1    .    2]" 1 
        374 1 105 LYS H    1 106 LEU QB   4.790     . 4.790 4.469 4.138 4.551     .  0 0 "[    .    1    .    2]" 1 
        375 1  66 PHE H    1  66 PHE QE   4.750     . 4.750 4.509 4.341 4.726     .  0 0 "[    .    1    .    2]" 1 
        376 1  64 SER HA   1  66 PHE H    4.170     . 4.170 4.134 3.934 4.176 0.006  8 0 "[    .    1    .    2]" 1 
        377 1  58 HIS H    1  58 HIS HB3  4.150     . 4.150 3.810 3.534 4.102     .  0 0 "[    .    1    .    2]" 1 
        378 1  22 LEU H    1  22 LEU MD2  4.170     . 4.170 3.993 1.943 4.187 0.017 20 0 "[    .    1    .    2]" 1 
        379 1  22 LEU H    1  22 LEU MD1  4.170     . 4.170 3.531 2.335 3.836     .  0 0 "[    .    1    .    2]" 1 
        380 1  97 LEU MD1  1  98 GLU H    5.100     . 5.100 4.639 4.495 4.754     .  0 0 "[    .    1    .    2]" 1 
        381 1  97 LEU MD2  1  98 GLU H    5.390     . 5.390 4.694 4.439 4.837     .  0 0 "[    .    1    .    2]" 1 
        382 1  46 ILE H    1  46 ILE HG13 4.180     . 4.180 3.509 3.415 3.583     .  0 0 "[    .    1    .    2]" 1 
        383 1  46 ILE H    1  46 ILE MG   4.190     . 4.190 3.766 3.760 3.772     .  0 0 "[    .    1    .    2]" 1 
        384 1  99 PHE QD   1 100 LEU H    4.170     . 4.170 2.935 2.721 3.357     .  0 0 "[    .    1    .    2]" 1 
        385 1  79 LYS QB   1  80 VAL H    4.160     . 4.160 2.802 2.692 2.883     .  0 0 "[    .    1    .    2]" 1 
        386 1  80 VAL H    1  80 VAL MG1  4.240     . 4.240 3.776 3.773 3.778     .  0 0 "[    .    1    .    2]" 1 
        387 1  35 PHE H    1  36 ALA H    4.120     . 4.120 2.813 2.775 2.844     .  0 0 "[    .    1    .    2]" 1 
        388 1  18 LEU HA   1  21 GLN H    4.210     . 4.210 3.579 3.417 3.700     .  0 0 "[    .    1    .    2]" 1 
        389 1  20 LEU MD2  1  21 GLN H    5.110     . 5.110 4.668 4.592 4.738     .  0 0 "[    .    1    .    2]" 1 
        390 1  30 ARG HB2  1  31 LEU H    4.450     . 4.450 3.946 3.619 4.311     .  0 0 "[    .    1    .    2]" 1 
        391 1  31 LEU H    1  31 LEU MD2  4.590     . 4.590 4.476 4.273 4.573     .  0 0 "[    .    1    .    2]" 1 
        392 1  73 THR HA   1  75 GLU H    4.620     . 4.620 4.324 4.179 4.450     .  0 0 "[    .    1    .    2]" 1 
        393 1  33 CYS HB2  1  34 SER H    5.010     . 5.010 3.594 2.320 4.367     .  0 0 "[    .    1    .    2]" 1 
        394 1  33 CYS HB3  1  34 SER H    5.010     . 5.010 2.576 2.318 3.602     .  0 0 "[    .    1    .    2]" 1 
        395 1  75 GLU H    1  75 GLU HG3  4.270     . 4.270 3.475 2.492 4.167     .  0 0 "[    .    1    .    2]" 1 
        396 1  75 GLU H    1  75 GLU HG2  4.270     . 4.270 3.114 1.968 4.133     .  0 0 "[    .    1    .    2]" 1 
        397 1  73 THR MG   1  75 GLU H    4.180     . 4.180 3.491 2.494 4.244 0.064 19 0 "[    .    1    .    2]" 1 
        398 1  54 ASP QB   1  57 LEU H    4.410     . 4.410 2.771 2.365 3.398     .  0 0 "[    .    1    .    2]" 1 
        399 1  77 GLU H    1  78 GLU HB2  5.500     . 5.500 4.785 4.663 4.891     .  0 0 "[    .    1    .    2]" 1 
        400 1  77 GLU H    1  81 MET ME   5.500     . 5.500 4.734 4.595 4.954     .  0 0 "[    .    1    .    2]" 1 
        401 1  80 VAL MG1  1  81 MET H    4.160     . 4.160 3.335 3.222 3.435     .  0 0 "[    .    1    .    2]" 1 
        402 1  22 LEU HB2  1  23 ARG H    4.380     . 4.380 2.817 2.597 2.995     .  0 0 "[    .    1    .    2]" 1 
        403 1  25 ASP HA   1  28 ALA H    4.820     . 4.820 3.624 3.540 3.688     .  0 0 "[    .    1    .    2]" 1 
        404 1  71 ASN H    1  71 ASN HB2  4.110     . 4.110 2.530 2.312 3.694     .  0 0 "[    .    1    .    2]" 1 
        405 1  17 TYR H    1  17 TYR QD   4.090     . 4.090 2.826 1.993 3.324     .  0 0 "[    .    1    .    2]" 1 
        406 1  16 TYR QD   1  17 TYR H    4.120     . 4.120 3.787 3.729 3.890     .  0 0 "[    .    1    .    2]" 1 
        407 1  18 LEU MD2  1  19 CYS H    4.530     . 4.530 4.314 4.281 4.358     .  0 0 "[    .    1    .    2]" 1 
        408 1  17 TYR H    1  20 LEU MD1  4.910     . 4.910 4.185 3.658 4.712     .  0 0 "[    .    1    .    2]" 1 
        409 1  49 GLU HB2  1  50 LEU H    4.510     . 4.510 2.997 2.838 3.144     .  0 0 "[    .    1    .    2]" 1 
        410 1  50 LEU H    1  50 LEU MD2  4.270     . 4.270 4.149 4.099 4.201     .  0 0 "[    .    1    .    2]" 1 
        411 1  70 PRO HG3  1  71 ASN H    4.120     . 4.120 3.705 3.585 4.107     .  0 0 "[    .    1    .    2]" 1 
        412 1  24 GLN HA   1  28 ALA H    4.630     . 4.630 4.280 4.070 4.451     .  0 0 "[    .    1    .    2]" 1 
        413 1  13 ILE HB   1  14 THR H    4.160     . 4.160 2.488 2.400 2.730     .  0 0 "[    .    1    .    2]" 1 
        414 1  13 ILE MG   1  14 THR H    4.200     . 4.200 3.354 3.279 3.388     .  0 0 "[    .    1    .    2]" 1 
        415 1  83 LEU H    1  85 LYS H    5.100     . 5.100 4.566 4.493 4.622     .  0 0 "[    .    1    .    2]" 1 
        416 1  84 HIS HD2  1  85 LYS H    5.380     . 5.380 3.997 3.474 4.359     .  0 0 "[    .    1    .    2]" 1 
        417 1  84 HIS HB2  1  85 LYS H    4.220     . 4.220 3.647 3.599 3.746     .  0 0 "[    .    1    .    2]" 1 
        418 1  85 LYS H    1  85 LYS HG3  4.770     . 4.770 3.793 2.007 4.610     .  0 0 "[    .    1    .    2]" 1 
        419 1  47 GLN H    1  49 GLU H    4.140     . 4.140 3.961 3.934 3.997     .  0 0 "[    .    1    .    2]" 1 
        420 1  46 ILE HA   1  49 GLU H    4.270     . 4.270 3.278 3.197 3.341     .  0 0 "[    .    1    .    2]" 1 
        421 1  92 PRO QB   1  93 ALA H    4.120     . 4.120 2.543 2.141 2.846     .  0 0 "[    .    1    .    2]" 1 
        422 1  72 GLN HG2  1  73 THR H    4.200     . 4.200 3.436 3.245 3.668     .  0 0 "[    .    1    .    2]" 1 
        423 1  72 GLN HG3  1  73 THR H    4.250     . 4.250 3.344 3.121 3.474     .  0 0 "[    .    1    .    2]" 1 
        424 1  73 THR H    1  76 LEU HB2  4.260     . 4.260 3.236 3.073 3.397     .  0 0 "[    .    1    .    2]" 1 
        425 1  86 SER H    1  86 SER HB3  4.120     . 4.120 2.723 2.252 3.571     .  0 0 "[    .    1    .    2]" 1 
        426 1  85 LYS HB2  1  86 SER H    4.960     . 4.960 3.628 2.936 4.078     .  0 0 "[    .    1    .    2]" 1 
        427 1  85 LYS HB3  1  86 SER H    4.960     . 4.960 3.230 2.767 4.108     .  0 0 "[    .    1    .    2]" 1 
        428 1   9 LEU HB2  1  10 THR H    4.780     . 4.780 3.701 2.099 4.441     .  0 0 "[    .    1    .    2]" 1 
        429 1   9 LEU MD2  1  10 THR H    4.510     . 4.510 3.665 2.826 4.522 0.012 19 0 "[    .    1    .    2]" 1 
        430 1  63 VAL HB   1  64 SER H    4.120     . 4.120 3.203 2.859 3.604     .  0 0 "[    .    1    .    2]" 1 
        431 1  63 VAL MG2  1  64 SER H    4.110     . 4.110 3.867 3.720 4.068     .  0 0 "[    .    1    .    2]" 1 
        432 1 106 LEU QB   1 107 SER H    4.170     . 4.170 3.291 3.078 3.598     .  0 0 "[    .    1    .    2]" 1 
        433 1  51 GLY H    1  52 ASP H    4.550     . 4.550 4.445 4.211 4.609 0.059 14 0 "[    .    1    .    2]" 1 
        434 1  49 GLU H    1  51 GLY H    4.280     . 4.280 3.486 3.430 3.534     .  0 0 "[    .    1    .    2]" 1 
        435 1  50 LEU HB2  1  51 GLY H    4.210     . 4.210 3.542 3.513 3.572     .  0 0 "[    .    1    .    2]" 1 
        436 1  50 LEU HB3  1  51 GLY H    4.350     . 4.350 4.344 4.304 4.367 0.017  4 0 "[    .    1    .    2]" 1 
        437 1  59 GLY H    1  60 VAL H    4.240     . 4.240 3.539 2.244 4.254 0.014  3 0 "[    .    1    .    2]" 1 
        438 1  40 LEU MD2  1  42 GLY H    5.370     . 5.370 4.538 4.458 4.633     .  0 0 "[    .    1    .    2]" 1 
        439 1  42 GLY H    1  80 VAL MG2  5.040     . 5.040 4.498 4.131 4.814     .  0 0 "[    .    1    .    2]" 1 
        440 1  33 CYS H    1  38 LEU MD2  5.030     . 5.030 4.799 4.263 5.032 0.002 11 0 "[    .    1    .    2]" 1 
        441 1  28 ALA H    1  29 GLY H    3.600     . 3.600 2.544 2.477 2.593     .  0 0 "[    .    1    .    2]" 1 
        442 1  90 MET H    1  90 MET HG2  4.630     . 4.630 4.531 4.360 4.646 0.016  8 0 "[    .    1    .    2]" 1 
        443 1  41 LEU HA   1  44 TYR H    4.810     . 4.810 3.736 3.634 3.792     .  0 0 "[    .    1    .    2]" 1 
        444 1  99 PHE H    1 101 GLU H    4.400     . 4.400 4.054 3.944 4.118     .  0 0 "[    .    1    .    2]" 1 
        445 1  99 PHE H    1  99 PHE QD   4.320     . 4.320 4.120 4.058 4.165     .  0 0 "[    .    1    .    2]" 1 
        446 1  96 ASP HA   1  99 PHE H    4.310     . 4.310 4.027 3.955 4.172     .  0 0 "[    .    1    .    2]" 1 
        447 1  71 ASN H    1  72 GLN H    4.310     . 4.310 3.537 3.249 3.820     .  0 0 "[    .    1    .    2]" 1 
        448 1  72 GLN H    1  72 GLN HG3  4.980     . 4.980 4.354 4.213 4.448     .  0 0 "[    .    1    .    2]" 1 
        449 1  90 MET ME   1  95 ALA H    5.410     . 5.410 4.711 4.204 5.123     .  0 0 "[    .    1    .    2]" 1 
        450 1  93 ALA MB   1  95 ALA H    4.620     . 4.620 4.591 4.506 4.633 0.013 12 0 "[    .    1    .    2]" 1 
        451 1  18 LEU H    1  18 LEU MD2  4.340     . 4.340 4.131 4.061 4.199     .  0 0 "[    .    1    .    2]" 1 
        452 1  38 LEU H    1  38 LEU HG   4.390     . 4.390 2.618 2.464 2.748     .  0 0 "[    .    1    .    2]" 1 
        453 1  67 LYS H    1  68 LEU H    4.370     . 4.370 4.168 3.944 4.291     .  0 0 "[    .    1    .    2]" 1 
        454 1  66 PHE QD   1  67 LYS H    4.320     . 4.320 4.192 3.803 4.330 0.010  1 0 "[    .    1    .    2]" 1 
        455 1  67 LYS H    1  68 LEU HG   4.930     . 4.930 4.675 4.267 4.859     .  0 0 "[    .    1    .    2]" 1 
        456 1  90 MET H    1  91 THR H    4.630     . 4.630 4.556 4.468 4.623     .  0 0 "[    .    1    .    2]" 1 
        457 1  10 THR HB   1  11 GLU H    4.330     . 4.330 2.973 2.354 3.429     .  0 0 "[    .    1    .    2]" 1 
        458 1   7 ALA H    1   8 GLN QG   4.570     . 4.570 3.848 3.110 4.482     .  0 0 "[    .    1    .    2]" 1 
        459 1   7 ALA H    1   9 LEU MD2  4.810     . 4.810 4.313 3.835 4.812 0.002 19 0 "[    .    1    .    2]" 1 
        460 1  25 ASP H    1  27 VAL MG2  5.060     . 5.060 4.050 3.855 4.219     .  0 0 "[    .    1    .    2]" 1 
        461 1  74 LYS H    1  74 LYS QD   4.380     . 4.380 3.574 1.977 4.395 0.015  9 0 "[    .    1    .    2]" 1 
        462 1   7 ALA MB   1   9 LEU H    4.350     . 4.350 3.602 2.127 4.365 0.015 16 0 "[    .    1    .    2]" 1 
        463 1  53 TYR H    1  53 TYR QD   4.340     . 4.340 4.195 4.125 4.273     .  0 0 "[    .    1    .    2]" 1 
        464 1  44 TYR HB2  1  45 THR H    4.340     . 4.340 2.639 2.573 2.741     .  0 0 "[    .    1    .    2]" 1 
        465 1  15 ARG H    1  15 ARG QG   4.320     . 4.320 3.777 2.712 3.981     .  0 0 "[    .    1    .    2]" 1 
        466 1  73 THR MG   1  76 LEU H    4.330     . 4.330 3.064 1.954 4.367 0.037 15 0 "[    .    1    .    2]" 1 
        467 1  76 LEU H    1  76 LEU HG   4.640     . 4.640 4.408 4.382 4.428     .  0 0 "[    .    1    .    2]" 1 
        468 1  76 LEU H    1  76 LEU MD1  4.340     . 4.340 4.107 4.080 4.173     .  0 0 "[    .    1    .    2]" 1 
        469 1  79 LYS H    1  79 LYS HD3  4.840     . 4.840 4.128 3.340 4.812     .  0 0 "[    .    1    .    2]" 1 
        470 1  79 LYS H    1  79 LYS HG3  4.700     . 4.700 4.433 4.339 4.493     .  0 0 "[    .    1    .    2]" 1 
        471 1  15 ARG HB3  1  16 TYR H    4.570     . 4.570 2.560 2.364 3.832     .  0 0 "[    .    1    .    2]" 1 
        472 1  39 ALA H    1  76 LEU MD2  4.910     . 4.910 4.684 4.484 4.890     .  0 0 "[    .    1    .    2]" 1 
        473 1  60 VAL HB   1  61 ASP H    4.310     . 4.310 3.070 2.069 4.263     .  0 0 "[    .    1    .    2]" 1 
        474 1  83 LEU HB2  1  84 HIS H    4.310     . 4.310 2.728 2.631 2.853     .  0 0 "[    .    1    .    2]" 1 
        475 1  54 ASP QB   1  58 HIS H    4.410     . 4.410 3.657 2.538 4.292     .  0 0 "[    .    1    .    2]" 1 
        476 1  11 GLU H    1  12 ASP H    4.320     . 4.320 2.725 2.691 2.873     .  0 0 "[    .    1    .    2]" 1 
        477 1  96 ASP H    1  98 GLU H    4.670     . 4.670 3.988 3.916 4.094     .  0 0 "[    .    1    .    2]" 1 
        478 1  98 GLU H    1 100 LEU H    5.090     . 5.090 4.164 3.986 4.274     .  0 0 "[    .    1    .    2]" 1 
        479 1  99 PHE HB2  1 100 LEU H    4.320     . 4.320 3.981 3.922 4.057     .  0 0 "[    .    1    .    2]" 1 
        480 1 100 LEU HA   1 104 LYS H    4.310     . 4.310 3.908 3.720 3.994     .  0 0 "[    .    1    .    2]" 1 
        481 1  91 THR H    1  94 GLN H    4.640     . 4.640 3.861 3.750 4.013     .  0 0 "[    .    1    .    2]" 1 
        482 1  94 GLN H    1  95 ALA MB   4.410     . 4.410 4.370 4.324 4.413 0.003 11 0 "[    .    1    .    2]" 1 
        483 1  74 LYS QG   1  75 GLU H    4.350     . 4.350 3.439 1.913 4.355 0.005 12 0 "[    .    1    .    2]" 1 
        484 1  78 GLU H    1  79 LYS QB   4.560     . 4.560 4.531 4.469 4.571 0.011 13 0 "[    .    1    .    2]" 1 
        485 1  78 GLU HA   1  81 MET H    4.370     . 4.370 3.573 3.493 3.664     .  0 0 "[    .    1    .    2]" 1 
        486 1  80 VAL MG2  1  81 MET H    4.320     . 4.320 3.749 3.691 3.804     .  0 0 "[    .    1    .    2]" 1 
        487 1  63 VAL MG2  1  81 MET H    4.410     . 4.410 3.375 3.106 3.752     .  0 0 "[    .    1    .    2]" 1 
        488 1  43 SER H    1  83 LEU MD1  4.300     . 4.300 3.806 3.519 4.102     .  0 0 "[    .    1    .    2]" 1 
        489 1  23 ARG H    1  23 ARG HG2  4.660     . 4.660 4.151 3.454 4.590     .  0 0 "[    .    1    .    2]" 1 
        490 1  22 LEU HB3  1  23 ARG H    4.380     . 4.380 3.151 2.898 3.616     .  0 0 "[    .    1    .    2]" 1 
        491 1 104 LYS HA   1 108 MET H    4.330     . 4.330 3.810 3.268 4.279     .  0 0 "[    .    1    .    2]" 1 
        492 1  18 LEU HG   1  19 CYS H    4.320     . 4.320 4.334 4.319 4.346 0.026  1 0 "[    .    1    .    2]" 1 
        493 1  50 LEU H    1  50 LEU MD1  4.380     . 4.380 2.775 2.395 3.184     .  0 0 "[    .    1    .    2]" 1 
        494 1  70 PRO HD3  1  71 ASN H    4.540     . 4.540 3.878 3.794 3.974     .  0 0 "[    .    1    .    2]" 1 
        495 1  92 PRO HG2  1  93 ALA H    4.380     . 4.380 2.622 2.125 3.764     .  0 0 "[    .    1    .    2]" 1 
        496 1  72 GLN HB2  1  73 THR H    4.690     . 4.690 4.410 4.338 4.495     .  0 0 "[    .    1    .    2]" 1 
        497 1 105 LYS HA   1 107 SER H    4.320     . 4.320 3.882 3.533 4.234     .  0 0 "[    .    1    .    2]" 1 
        498 1 106 LEU MD1  1 107 SER H    5.400     . 5.400 4.963 4.313 5.410 0.010 18 0 "[    .    1    .    2]" 1 
        499 1 106 LEU MD2  1 107 SER H    5.500     . 5.500 4.726 4.210 5.404     .  0 0 "[    .    1    .    2]" 1 
        500 1  47 GLN QB   1  48 SER H    4.300     . 4.300 2.679 2.633 2.767     .  0 0 "[    .    1    .    2]" 1 
        501 1  39 ALA HA   1  42 GLY H    4.370     . 4.370 3.575 3.529 3.645     .  0 0 "[    .    1    .    2]" 1 
        502 1  26 ILE HA   1  29 GLY H    4.350     . 4.350 3.591 3.468 3.677     .  0 0 "[    .    1    .    2]" 1 
        503 1  47 GLN QB   1  47 GLN HE22 4.900     . 4.900 4.110 3.642 4.294     .  0 0 "[    .    1    .    2]" 1 
        504 1 104 LYS H    1 104 LYS HB2  3.780     . 3.780 2.235 2.075 2.487     .  0 0 "[    .    1    .    2]" 1 
        505 1  78 GLU H    1  78 GLU HB2  3.440     . 3.440 2.404 2.282 2.545     .  0 0 "[    .    1    .    2]" 1 
        506 1 101 GLU HB2  1 102 ASN H    4.230     . 4.230 3.597 2.850 4.010     .  0 0 "[    .    1    .    2]" 1 
        507 1   8 GLN H    1   9 LEU MD2  4.500     . 4.500 3.368 2.744 4.185     .  0 0 "[    .    1    .    2]" 1 
        508 1  88 ARG H    1  90 MET H    5.430     . 5.430 4.455 3.261 4.906     .  0 0 "[    .    1    .    2]" 1 
        509 1  88 ARG QB   1  90 MET H    5.500     . 5.500 4.776 4.217 5.552 0.052 17 0 "[    .    1    .    2]" 1 
        510 1  90 MET H    1  90 MET ME   5.500     . 5.500 4.430 3.997 4.773     .  0 0 "[    .    1    .    2]" 1 
        511 1   4 MET HG2  1   5 ASP H    5.500     . 5.500 3.669 1.995 5.136     .  0 0 "[    .    1    .    2]" 1 
        512 1   4 MET HG3  1   5 ASP H    5.500     . 5.500 4.063 2.027 5.489     .  0 0 "[    .    1    .    2]" 1 
        513 1  40 LEU MD2  1  44 TYR H    4.580     . 4.580 4.453 4.331 4.582 0.002 15 0 "[    .    1    .    2]" 1 
        514 1  70 PRO HA   1  72 GLN H    4.530     . 4.530 4.525 4.478 4.536 0.006 10 0 "[    .    1    .    2]" 1 
        515 1  71 ASN HB3  1  72 GLN H    4.730     . 4.730 4.315 4.227 4.636     .  0 0 "[    .    1    .    2]" 1 
        516 1  68 LEU H    1  68 LEU MD1  4.450     . 4.450 3.170 2.295 3.525     .  0 0 "[    .    1    .    2]" 1 
        517 1  11 GLU QB   1  13 ILE H    5.080     . 5.080 4.969 4.905 5.110 0.030 16 0 "[    .    1    .    2]" 1 
        518 1  99 PHE QD   1 103 ALA H    5.400     . 5.400 4.448 4.336 4.565     .  0 0 "[    .    1    .    2]" 1 
        519 1 103 ALA H    1 106 LEU H    5.500     . 5.500 4.850 4.546 5.104     .  0 0 "[    .    1    .    2]" 1 
        520 1  25 ASP H    1  26 ILE MD   5.500     . 5.500 4.527 4.387 4.810     .  0 0 "[    .    1    .    2]" 1 
        521 1   8 GLN QG   1   9 LEU H    4.550     . 4.550 4.410 3.112 4.558 0.008  8 0 "[    .    1    .    2]" 1 
        522 1  12 ASP HA   1  15 ARG H    4.480     . 4.480 3.820 3.680 3.989     .  0 0 "[    .    1    .    2]" 1 
        523 1  72 GLN HG3  1  76 LEU H    5.240     . 5.240 5.239 5.166 5.253 0.013 15 0 "[    .    1    .    2]" 1 
        524 1  79 LYS H    1  79 LYS HG2  4.700     . 4.700 4.564 4.378 4.637     .  0 0 "[    .    1    .    2]" 1 
        525 1 108 MET HB2  1 109 TYR H    4.590     . 4.590 3.102 2.617 4.483     .  0 0 "[    .    1    .    2]" 1 
        526 1  97 LEU MD1  1 101 GLU H    5.240     . 5.240 3.954 3.437 4.750     .  0 0 "[    .    1    .    2]" 1 
        527 1 100 LEU MD1  1 101 GLU H    5.500     . 5.500 4.619 4.444 4.749     .  0 0 "[    .    1    .    2]" 1 
        528 1  35 PHE HA   1  39 ALA H    4.580     . 4.580 4.031 3.991 4.108     .  0 0 "[    .    1    .    2]" 1 
        529 1  36 ALA MB   1  39 ALA H    4.860     . 4.860 4.747 4.697 4.794     .  0 0 "[    .    1    .    2]" 1 
        530 1  83 LEU MD1  1  84 HIS H    4.490     . 4.490 4.465 4.371 4.503 0.013  1 0 "[    .    1    .    2]" 1 
        531 1 102 ASN HA   1 105 LYS H    4.430     . 4.430 3.464 3.397 3.711     .  0 0 "[    .    1    .    2]" 1 
        532 1 105 LYS H    1 105 LYS HG3  4.770     . 4.770 3.789 2.802 4.482     .  0 0 "[    .    1    .    2]" 1 
        533 1  20 LEU H    1  22 LEU H    4.560     . 4.560 4.236 4.080 4.329     .  0 0 "[    .    1    .    2]" 1 
        534 1  11 GLU QG   1  12 ASP H    4.540     . 4.540 3.728 1.915 4.456     .  0 0 "[    .    1    .    2]" 1 
        535 1  10 THR MG   1  12 ASP H    5.500     . 5.500 5.173 4.757 5.505 0.005 16 0 "[    .    1    .    2]" 1 
        536 1  95 ALA HA   1  98 GLU H    4.450     . 4.450 3.287 3.204 3.531     .  0 0 "[    .    1    .    2]" 1 
        537 1  40 LEU H    1  83 LEU MD1  4.720     . 4.720 3.912 3.602 4.254     .  0 0 "[    .    1    .    2]" 1 
        538 1 100 LEU H    1 103 ALA MB   5.010     . 5.010 4.776 4.685 4.848     .  0 0 "[    .    1    .    2]" 1 
        539 1  96 ASP H    1  98 GLU QB   5.500     . 5.500 4.751 4.592 5.510 0.010 16 0 "[    .    1    .    2]" 1 
        540 1  98 GLU QB   1 100 LEU H    5.500     . 5.500 4.632 4.488 5.249     .  0 0 "[    .    1    .    2]" 1 
        541 1  88 ARG H    1  89 SER H    4.460     . 4.460 3.753 1.841 4.442     .  0 0 "[    .    1    .    2]" 1 
        542 1  88 ARG H    1  88 ARG QD   4.430     . 4.430 3.894 2.593 4.446 0.016  8 0 "[    .    1    .    2]" 1 
        543 1  17 TYR HA   1  21 GLN H    4.510     . 4.510 4.148 3.995 4.323     .  0 0 "[    .    1    .    2]" 1 
        544 1  29 GLY H    1  31 LEU H    4.570     . 4.570 4.220 4.073 4.389     .  0 0 "[    .    1    .    2]" 1 
        545 1  30 ARG HB3  1  31 LEU H    4.450     . 4.450 3.941 3.577 4.376     .  0 0 "[    .    1    .    2]" 1 
        546 1  37 THR MG   1  41 LEU H    4.540     . 4.540 3.463 3.369 3.607     .  0 0 "[    .    1    .    2]" 1 
        547 1  75 GLU H    1  77 GLU H    4.500     . 4.500 4.059 3.937 4.196     .  0 0 "[    .    1    .    2]" 1 
        548 1  74 LYS QD   1  75 GLU H    5.140     . 5.140 4.257 3.368 5.062     .  0 0 "[    .    1    .    2]" 1 
        549 1  62 TYR H    1  62 TYR QE   4.580     . 4.580 3.929 3.829 4.129     .  0 0 "[    .    1    .    2]" 1 
        550 1  76 LEU MD2  1  77 GLU H    4.510     . 4.510 4.284 4.080 4.432     .  0 0 "[    .    1    .    2]" 1 
        551 1  78 GLU H    1  81 MET H    5.100     . 5.100 4.990 4.939 5.027     .  0 0 "[    .    1    .    2]" 1 
        552 1  77 GLU HA   1  81 MET H    4.550     . 4.550 4.412 4.301 4.467     .  0 0 "[    .    1    .    2]" 1 
        553 1  39 ALA HA   1  43 SER H    4.510     . 4.510 3.696 3.508 3.855     .  0 0 "[    .    1    .    2]" 1 
        554 1  69 ALA H    1  72 GLN HG3  4.710     . 4.710 4.698 4.629 4.720 0.010  7 0 "[    .    1    .    2]" 1 
        555 1  68 LEU HG   1  69 ALA H    4.430     . 4.430 4.090 3.738 4.432 0.002 15 0 "[    .    1    .    2]" 1 
        556 1  68 LEU HB2  1  69 ALA H    4.510     . 4.510 3.087 3.017 3.254     .  0 0 "[    .    1    .    2]" 1 
        557 1  68 LEU MD1  1  69 ALA H    4.490     . 4.490 4.322 3.516 4.504 0.014  7 0 "[    .    1    .    2]" 1 
        558 1  70 PRO HD2  1  71 ASN H    4.540     . 4.540 2.720 2.418 2.925     .  0 0 "[    .    1    .    2]" 1 
        559 1  49 GLU HB3  1  50 LEU H    4.510     . 4.510 3.020 2.861 3.207     .  0 0 "[    .    1    .    2]" 1 
        560 1  46 ILE MG   1  50 LEU H    4.580     . 4.580 3.703 3.631 3.800     .  0 0 "[    .    1    .    2]" 1 
        561 1  56 GLU H    1  57 LEU HA   5.260     . 5.260 5.199 4.927 5.268 0.008  1 0 "[    .    1    .    2]" 1 
        562 1  56 GLU H    1  57 LEU HB2  5.060     . 5.060 4.862 4.242 5.061 0.001  6 0 "[    .    1    .    2]" 1 
        563 1  56 GLU H    1  57 LEU MD1  5.500     . 5.500 5.398 5.169 5.509 0.009  7 0 "[    .    1    .    2]" 1 
        564 1  49 GLU H    1  50 LEU HB2  4.770     . 4.770 4.847 4.832 4.862 0.092 14 0 "[    .    1    .    2]" 1 
        565 1  73 THR H    1  74 LYS H    4.530     . 4.530 4.508 4.488 4.545 0.015 20 0 "[    .    1    .    2]" 1 
        566 1  73 THR H    1  76 LEU H    4.440     . 4.440 3.299 3.175 3.465     .  0 0 "[    .    1    .    2]" 1 
        567 1  83 LEU H    1  86 SER H    4.840     . 4.840 4.591 4.511 4.713     .  0 0 "[    .    1    .    2]" 1 
        568 1  63 VAL MG1  1  64 SER H    4.550     . 4.550 4.015 3.835 4.198     .  0 0 "[    .    1    .    2]" 1 
        569 1  45 THR HA   1  48 SER H    4.550     . 4.550 3.499 3.456 3.555     .  0 0 "[    .    1    .    2]" 1 
        570 1  47 GLN H    1  51 GLY H    5.500     . 5.500 5.528 5.500 5.544 0.044 10 0 "[    .    1    .    2]" 1 
        571 1  58 HIS HD2  1  59 GLY H    4.970     . 4.970 4.147 3.352 4.981 0.011  7 0 "[    .    1    .    2]" 1 
        572 1  58 HIS HB3  1  59 GLY H    4.630     . 4.630 2.515 1.954 4.140     .  0 0 "[    .    1    .    2]" 1 
        573 1  38 LEU HA   1  42 GLY H    4.470     . 4.470 4.140 3.973 4.254     .  0 0 "[    .    1    .    2]" 1 
        574 1  41 LEU HB2  1  42 GLY H    4.440     . 4.440 2.746 2.714 2.761     .  0 0 "[    .    1    .    2]" 1 
        575 1  41 LEU MD1  1  42 GLY H    4.570     . 4.570 4.454 4.277 4.565     .  0 0 "[    .    1    .    2]" 1 
        576 1  33 CYS H    1  34 SER H    4.560     . 4.560 4.412 4.310 4.429     .  0 0 "[    .    1    .    2]" 1 
        577 1  33 CYS H    1  34 SER HA   4.770     . 4.770 4.771 4.744 4.780 0.010  8 0 "[    .    1    .    2]" 1 
        578 1  47 GLN HE21 1  52 ASP HA   4.630     . 4.630 2.760 1.997 4.400     .  0 0 "[    .    1    .    2]" 1 
        579 1  47 GLN HA   1  51 GLY H    4.030     . 4.030 3.659 3.577 3.699     .  0 0 "[    .    1    .    2]" 1 
        580 1  34 SER HB3  1  35 PHE H    4.310     . 4.310 3.153 2.437 3.846     .  0 0 "[    .    1    .    2]" 1 
        581 1  16 TYR H    1  16 TYR HB3  3.610     . 3.610 2.607 2.514 2.680     .  0 0 "[    .    1    .    2]" 1 
        582 1  16 TYR H    1  16 TYR HB2  3.610     . 3.610 2.454 2.387 2.557     .  0 0 "[    .    1    .    2]" 1 
        583 1  81 MET H    1  81 MET HB2  3.650     . 3.650 2.583 2.296 2.649     .  0 0 "[    .    1    .    2]" 1 
        584 1  57 LEU H    1  57 LEU MD2  4.330     . 4.330 3.092 1.951 3.578     .  0 0 "[    .    1    .    2]" 1 
        585 1  38 LEU H    1  38 LEU HB3  3.660     . 3.660 3.551 3.529 3.575     .  0 0 "[    .    1    .    2]" 1 
        586 1 100 LEU H    1 100 LEU MD2  4.340     . 4.340 3.369 3.185 3.655     .  0 0 "[    .    1    .    2]" 1 
        587 1  44 TYR H    1  44 TYR QE   5.380     . 5.380 4.928 4.827 5.047     .  0 0 "[    .    1    .    2]" 1 
        588 1  44 TYR H    1  87 TYR QE   5.500     . 5.500 4.608 4.144 5.141     .  0 0 "[    .    1    .    2]" 1 
        589 1  47 GLN HE22 1  52 ASP HA   4.630     . 4.630 3.083 2.173 4.274     .  0 0 "[    .    1    .    2]" 1 
        590 1   5 ASP H    1   6 PRO HD3  5.220     . 5.220 4.581 4.027 5.153     .  0 0 "[    .    1    .    2]" 1 
        591 1  10 THR H    1  11 GLU H    4.640     . 4.640 2.831 2.694 2.905     .  0 0 "[    .    1    .    2]" 1 
        592 1  10 THR H    1  13 ILE HB   5.500     . 5.500 5.355 4.965 5.517 0.017  2 0 "[    .    1    .    2]" 1 
        593 1  11 GLU H    1  11 GLU QG   4.620     . 4.620 2.831 1.917 4.017     .  0 0 "[    .    1    .    2]" 1 
        594 1  18 LEU HG   1  22 LEU H    4.990     . 4.990 4.786 4.623 4.994 0.004  9 0 "[    .    1    .    2]" 1 
        595 1  10 THR HA   1  13 ILE H    4.670     . 4.670 3.348 3.254 3.581     .  0 0 "[    .    1    .    2]" 1 
        596 1  27 VAL H    1  28 ALA MB   4.640     . 4.640 4.366 4.301 4.431     .  0 0 "[    .    1    .    2]" 1 
        597 1  19 CYS H    1  21 GLN H    4.690     . 4.690 4.328 4.105 4.475     .  0 0 "[    .    1    .    2]" 1 
        598 1  71 ASN H    1  72 GLN HA   5.190     . 5.190 4.653 4.404 4.960     .  0 0 "[    .    1    .    2]" 1 
        599 1 103 ALA MB   1 108 MET H    4.900     . 4.900 3.944 3.591 4.466     .  0 0 "[    .    1    .    2]" 1 
        600 1  38 LEU MD1  1  71 ASN H    4.600     . 4.600 4.597 4.529 4.612 0.012  8 0 "[    .    1    .    2]" 1 
        601 1  61 ASP HA   1  63 VAL H    4.650     . 4.650 3.288 3.051 3.595     .  0 0 "[    .    1    .    2]" 1 
        602 1  23 ARG H    1  25 ASP H    4.750     . 4.750 4.228 4.023 4.370     .  0 0 "[    .    1    .    2]" 1 
        603 1  37 THR H    1  39 ALA MB   4.930     . 4.930 4.962 4.953 4.970 0.040  1 0 "[    .    1    .    2]" 1 
        604 1  29 GLY H    1  70 PRO HG2  5.500     . 5.500 5.168 4.415 5.476     .  0 0 "[    .    1    .    2]" 1 
        605 1  26 ILE MG   1  29 GLY H    4.630     . 4.630 4.283 4.204 4.371     .  0 0 "[    .    1    .    2]" 1 
        606 1  27 VAL MG2  1  29 GLY H    4.640     . 4.640 4.127 4.050 4.189     .  0 0 "[    .    1    .    2]" 1 
        607 1  25 ASP HA   1  30 ARG H    4.710     . 4.710 3.887 3.608 4.125     .  0 0 "[    .    1    .    2]" 1 
        608 1  76 LEU MD1  1  80 VAL H    4.620     . 4.620 4.056 3.907 4.376     .  0 0 "[    .    1    .    2]" 1 
        609 1  34 SER H    1  37 THR MG   4.640     . 4.640 3.709 3.513 3.935     .  0 0 "[    .    1    .    2]" 1 
        610 1  76 LEU MD1  1  77 GLU H    4.690     . 4.690 4.342 4.217 4.469     .  0 0 "[    .    1    .    2]" 1 
        611 1  74 LYS QG   1  77 GLU H    5.500     . 5.500 5.255 5.023 5.506 0.006 10 0 "[    .    1    .    2]" 1 
        612 1  79 LYS H    1  81 MET H    4.670     . 4.670 4.529 4.415 4.595     .  0 0 "[    .    1    .    2]" 1 
        613 1  34 SER HA   1  36 ALA H    5.000     . 5.000 4.567 4.490 4.667     .  0 0 "[    .    1    .    2]" 1 
        614 1  37 THR MG   1  39 ALA H    5.500     . 5.500 5.154 5.063 5.210     .  0 0 "[    .    1    .    2]" 1 
        615 1  57 LEU HG   1  58 HIS H    5.500     . 5.500 4.344 3.907 5.296     .  0 0 "[    .    1    .    2]" 1 
        616 1  36 ALA H    1  39 ALA H    5.040     . 5.040 4.827 4.780 4.869     .  0 0 "[    .    1    .    2]" 1 
        617 1  93 ALA H    1  95 ALA MB   5.020     . 5.020 5.022 4.987 5.032 0.012  1 0 "[    .    1    .    2]" 1 
        618 1  48 SER HA   1  50 LEU H    5.210     . 5.210 4.601 4.486 4.745     .  0 0 "[    .    1    .    2]" 1 
        619 1  46 ILE HA   1  50 LEU H    4.650     . 4.650 3.765 3.694 3.851     .  0 0 "[    .    1    .    2]" 1 
        620 1  50 LEU MD1  1  51 GLY H    4.720     . 4.720 4.483 4.237 4.723 0.003  2 0 "[    .    1    .    2]" 1 
        621 1  66 PHE H    1  67 LYS H    4.600     . 4.600 4.439 4.309 4.598     .  0 0 "[    .    1    .    2]" 1 
        622 1  58 HIS HB2  1  59 GLY H    4.630     . 4.630 3.386 1.995 4.586     .  0 0 "[    .    1    .    2]" 1 
        623 1  61 ASP H    1  62 TYR HA   5.470     . 5.470 4.999 4.172 5.305     .  0 0 "[    .    1    .    2]" 1 
        624 1  62 TYR H    1  63 VAL MG2  4.670     . 4.670 3.465 3.264 3.619     .  0 0 "[    .    1    .    2]" 1 
        625 1  60 VAL HA   1  62 TYR H    4.740     . 4.740 3.536 3.026 4.740 0.000 16 0 "[    .    1    .    2]" 1 
        626 1  61 ASP HA   1  64 SER H    4.640     . 4.640 3.941 3.319 4.556     .  0 0 "[    .    1    .    2]" 1 
        627 1  72 GLN HB3  1  73 THR H    4.690     . 4.690 4.148 4.018 4.243     .  0 0 "[    .    1    .    2]" 1 
        628 1  34 SER H    1  38 LEU MD2  4.890     . 4.890 4.820 4.697 4.893 0.003  8 0 "[    .    1    .    2]" 1 
        629 1  73 THR HB   1  76 LEU H    4.940     . 4.940 4.480 3.247 4.793     .  0 0 "[    .    1    .    2]" 1 
        630 1  72 GLN HG2  1  76 LEU H    5.380     . 5.380 5.348 5.135 5.390 0.010 14 0 "[    .    1    .    2]" 1 
        631 1  71 ASN HB2  1  72 GLN H    4.730     . 4.730 4.571 4.288 4.665     .  0 0 "[    .    1    .    2]" 1 
        632 1  69 ALA MB   1  72 GLN H    4.650     . 4.650 3.940 3.656 4.172     .  0 0 "[    .    1    .    2]" 1 
        633 1  93 ALA MB   1  97 LEU H    4.770     . 4.770 4.421 4.311 4.677     .  0 0 "[    .    1    .    2]" 1 
        634 1  83 LEU H    1  83 LEU MD1  3.900     . 3.900 3.346 3.147 3.610     .  0 0 "[    .    1    .    2]" 1 
        635 1  57 LEU H    1  58 HIS H    3.310     . 3.310 2.347 2.086 2.700     .  0 0 "[    .    1    .    2]" 1 
        636 1  74 LYS HB3  1  75 GLU H    3.990     . 3.990 3.517 2.627 4.021 0.031  4 0 "[    .    1    .    2]" 1 
        637 1  43 SER H    1  43 SER HB2  3.980     . 3.980 2.699 2.350 3.583     .  0 0 "[    .    1    .    2]" 1 
        638 1  50 LEU H    1  50 LEU HG   3.820     . 3.820 2.825 2.717 2.959     .  0 0 "[    .    1    .    2]" 1 
        639 1  50 LEU H    1  50 LEU HB3  3.850     . 3.850 3.675 3.655 3.697     .  0 0 "[    .    1    .    2]" 1 
        640 1  20 LEU H    1  20 LEU MD1  4.120     . 4.120 3.590 3.348 3.811     .  0 0 "[    .    1    .    2]" 1 
        641 1  20 LEU H    1  20 LEU MD2  4.050     . 4.050 3.582 3.281 3.742     .  0 0 "[    .    1    .    2]" 1 
        642 1  49 GLU H    1  49 GLU HG3  4.650     . 4.650 3.988 3.282 4.444     .  0 0 "[    .    1    .    2]" 1 
        643 1  91 THR HA   1  93 ALA H    4.650     . 4.650 4.654 4.542 4.685 0.035 17 0 "[    .    1    .    2]" 1 
        644 1   4 MET ME   1   5 ASP H    4.170     . 4.170 3.482 1.874 4.171 0.001  2 0 "[    .    1    .    2]" 1 
        645 1  13 ILE H    1  13 ILE HG12 4.100     . 4.100 2.286 1.974 3.411     .  0 0 "[    .    1    .    2]" 1 
        646 1  19 CYS H    1 100 LEU MD1  5.480     . 5.480 5.170 4.699 5.472     .  0 0 "[    .    1    .    2]" 1 
        647 1  19 CYS H    1 100 LEU MD2  4.200     . 4.200 3.876 3.558 4.068     .  0 0 "[    .    1    .    2]" 1 
        648 1  17 TYR H    1  20 LEU HG   5.500     . 5.500 5.205 4.916 5.446     .  0 0 "[    .    1    .    2]" 1 
        649 1  19 CYS H    1  20 LEU HG   5.500     . 5.500 4.760 4.545 5.058     .  0 0 "[    .    1    .    2]" 1 
        650 1 101 GLU HB3  1 102 ASN H    4.230     . 4.230 3.108 2.752 3.695     .  0 0 "[    .    1    .    2]" 1 
        651 1  50 LEU HG   1  51 GLY H    5.070     . 5.070 4.625 4.586 4.670     .  0 0 "[    .    1    .    2]" 1 
        652 1  64 SER HB2  1  65 ASP H    4.730     . 4.730 3.883 3.287 4.329     .  0 0 "[    .    1    .    2]" 1 
        653 1  40 LEU HA   1  44 TYR H    4.730     . 4.730 4.266 4.209 4.310     .  0 0 "[    .    1    .    2]" 1 
        654 1  88 ARG H    1  88 ARG QG   3.680     . 3.680 2.691 1.924 3.683 0.003  9 0 "[    .    1    .    2]" 1 
        655 1  90 MET H    1  90 MET HG3  4.630     . 4.630 4.507 4.344 4.640 0.010 12 0 "[    .    1    .    2]" 1 
        656 1  14 THR HA   1  18 LEU H    4.580     . 4.580 4.044 3.880 4.130     .  0 0 "[    .    1    .    2]" 1 
        657 1  81 MET H    1  81 MET HB3  3.650     . 3.650 3.593 3.552 3.599     .  0 0 "[    .    1    .    2]" 1 
        658 1  23 ARG H    1  23 ARG HB3  4.050     . 4.050 2.927 2.443 3.364     .  0 0 "[    .    1    .    2]" 1 
        659 1  23 ARG H    1  23 ARG HB2  4.050     . 4.050 2.244 2.065 2.594     .  0 0 "[    .    1    .    2]" 1 
        660 1  41 LEU HB3  1  42 GLY H    4.440     . 4.440 3.820 3.762 3.895     .  0 0 "[    .    1    .    2]" 1 
        661 1  75 GLU HA   1  79 LYS H    4.740     . 4.740 4.027 3.853 4.124     .  0 0 "[    .    1    .    2]" 1 
        662 1  76 LEU HA   1  79 LYS H    4.910     . 4.910 3.719 3.672 3.761     .  0 0 "[    .    1    .    2]" 1 
        663 1  90 MET ME   1  90 MET HG3  3.820     . 3.820 3.035 2.189 3.400     .  0 0 "[    .    1    .    2]" 1 
        664 1  90 MET ME   1  90 MET HG2  3.820     . 3.820 2.789 2.309 3.380     .  0 0 "[    .    1    .    2]" 1 
        665 1  90 MET HB2  1  90 MET ME   4.050     . 4.050 2.297 1.967 2.618     .  0 0 "[    .    1    .    2]" 1 
        666 1  47 GLN QB   1  90 MET ME   4.810     . 4.810 4.206 2.713 4.812 0.002 12 0 "[    .    1    .    2]" 1 
        667 1  60 VAL MG1  1  81 MET ME   5.440     . 5.440 4.468 3.250 5.444 0.004 16 0 "[    .    1    .    2]" 1 
        668 1  60 VAL MG2  1  81 MET ME   5.500     . 5.500 5.087 4.415 5.503 0.003 18 0 "[    .    1    .    2]" 1 
        669 1  81 MET H    1  81 MET ME   4.380     . 4.380 3.378 2.796 3.623     .  0 0 "[    .    1    .    2]" 1 
        670 1  26 ILE MD   1 108 MET ME   3.080     . 3.080 2.569 1.947 3.000     .  0 0 "[    .    1    .    2]" 1 
        671 1 103 ALA MB   1 108 MET ME   3.910     . 3.910 3.501 2.912 3.911 0.001  1 0 "[    .    1    .    2]" 1 
        672 1 103 ALA HA   1 108 MET ME   5.500     . 5.500 3.829 2.910 4.262     .  0 0 "[    .    1    .    2]" 1 
        673 1  44 TYR QE   1 102 ASN HD22 4.510     . 4.510 3.751 3.354 4.205     .  0 0 "[    .    1    .    2]" 1 
        674 1  44 TYR QE   1 102 ASN HD21 4.510     . 4.510 4.077 3.602 4.512 0.002 20 0 "[    .    1    .    2]" 1 
        675 1 104 LYS H    1 109 TYR QE   4.090     . 4.090 3.204 2.430 3.769     .  0 0 "[    .    1    .    2]" 1 
        676 1 100 LEU HA   1 109 TYR QE   4.860     . 4.860 4.138 3.666 4.860     .  0 0 "[    .    1    .    2]" 1 
        677 1  53 TYR QE   1  55 PRO HB2  4.500     . 4.500 4.137 3.719 4.507 0.007 13 0 "[    .    1    .    2]" 1 
        678 1  17 TYR QE   1  20 LEU MD1  4.500     . 4.500 3.816 3.341 4.449     .  0 0 "[    .    1    .    2]" 1 
        679 1  83 LEU MD1  1  87 TYR QE   5.190     . 5.190 4.216 3.768 4.882     .  0 0 "[    .    1    .    2]" 1 
        680 1  44 TYR QD   1  90 MET ME   4.220     . 4.220 3.217 2.553 4.018     .  0 0 "[    .    1    .    2]" 1 
        681 1  22 LEU MD2  1 109 TYR QD   4.880     . 4.880 3.138 2.007 4.217     .  0 0 "[    .    1    .    2]" 1 
        682 1  18 LEU MD1  1 109 TYR QD   4.240     . 4.240 3.228 2.480 4.085     .  0 0 "[    .    1    .    2]" 1 
        683 1  22 LEU MD1  1 109 TYR QD   4.880     . 4.880 3.011 2.063 3.639     .  0 0 "[    .    1    .    2]" 1 
        684 1  18 LEU MD2  1 109 TYR QD   5.100     . 5.100 3.273 2.182 3.988     .  0 0 "[    .    1    .    2]" 1 
        685 1 103 ALA MB   1 109 TYR QD   3.820     . 3.820 3.279 2.669 3.826 0.006  9 0 "[    .    1    .    2]" 1 
        686 1  16 TYR QD   1  17 TYR QE   4.060     . 4.060 3.374 2.431 4.056     .  0 0 "[    .    1    .    2]" 1 
        687 1  35 PHE H    1  35 PHE QD   4.660     . 4.660 4.169 4.155 4.181     .  0 0 "[    .    1    .    2]" 1 
        688 1  17 TYR QD   1  18 LEU H    4.660     . 4.660 4.517 4.311 4.643     .  0 0 "[    .    1    .    2]" 1 
        689 1  35 PHE QD   1  76 LEU H    4.640     . 4.640 4.567 4.395 4.647 0.007 20 0 "[    .    1    .    2]" 1 
        690 1  17 TYR QD   1  20 LEU MD1  4.260     . 4.260 2.888 2.119 3.981     .  0 0 "[    .    1    .    2]" 1 
        691 1  44 TYR QD   1  99 PHE HA   4.510     . 4.510 3.628 3.203 4.518 0.008 16 0 "[    .    1    .    2]" 1 
        692 1  65 ASP H    1  66 PHE QD   3.910     . 3.910 3.535 3.196 3.905     .  0 0 "[    .    1    .    2]" 1 
        693 1  46 ILE MD   1  49 GLU HB2  5.050     . 5.050 3.671 3.566 3.869     .  0 0 "[    .    1    .    2]" 1 
        694 1  46 ILE MD   1  66 PHE HB2  4.360     . 4.360 2.247 1.924 2.805     .  0 0 "[    .    1    .    2]" 1 
        695 1  46 ILE H    1  46 ILE MD   4.150     . 4.150 3.428 3.337 3.529     .  0 0 "[    .    1    .    2]" 1 
        696 1  13 ILE H    1  13 ILE MD   4.370     . 4.370 3.217 2.963 3.815     .  0 0 "[    .    1    .    2]" 1 
        697 1  23 ARG H    1  26 ILE MD   4.640     . 4.640 3.688 3.477 4.082     .  0 0 "[    .    1    .    2]" 1 
        698 1  46 ILE MG   1  50 LEU MD2  4.050     . 4.050 3.790 3.545 4.024     .  0 0 "[    .    1    .    2]" 1 
        699 1  46 ILE MG   1  68 LEU MD2  4.560     . 4.560 4.230 3.884 4.518     .  0 0 "[    .    1    .    2]" 1 
        700 1  46 ILE MG   1  80 VAL MG1  4.100     . 4.100 3.122 2.899 3.322     .  0 0 "[    .    1    .    2]" 1 
        701 1  93 ALA MB   1  94 GLN H    3.590     . 3.590 2.629 2.416 2.738     .  0 0 "[    .    1    .    2]" 1 
        702 1  99 PHE QE   1 103 ALA MB   4.300     . 4.300 3.144 2.952 3.375     .  0 0 "[    .    1    .    2]" 1 
        703 1  35 PHE HA   1  36 ALA MB   5.110     . 5.110 5.029 5.021 5.034     .  0 0 "[    .    1    .    2]" 1 
        704 1  22 LEU MD2  1 103 ALA MB   3.740     . 3.740 2.441 1.952 3.482     .  0 0 "[    .    1    .    2]" 1 
        705 1  39 ALA MB   1  79 LYS HG2  4.040     . 4.040 2.377 1.915 2.681     .  0 0 "[    .    1    .    2]" 1 
        706 1  13 ILE HG12 1  13 ILE MG   3.680     . 3.680 3.063 2.508 3.203     .  0 0 "[    .    1    .    2]" 1 
        707 1  39 ALA MB   1  79 LYS HG3  4.040     . 4.040 2.993 2.728 3.490     .  0 0 "[    .    1    .    2]" 1 
        708 1  47 GLN QB   1  95 ALA MB   3.970     . 3.970 2.999 2.742 3.543     .  0 0 "[    .    1    .    2]" 1 
        709 1  22 LEU HG   1 103 ALA MB   4.260     . 4.260 4.169 2.362 4.278 0.018  9 0 "[    .    1    .    2]" 1 
        710 1 103 ALA MB   1 106 LEU QB   5.000     . 5.000 4.088 3.545 4.247     .  0 0 "[    .    1    .    2]" 1 
        711 1  28 ALA H    1  28 ALA MB   3.070     . 3.070 2.164 2.086 2.273     .  0 0 "[    .    1    .    2]" 1 
        712 1  60 VAL H    1  60 VAL MG1  4.240     . 4.240 3.498 2.953 4.094     .  0 0 "[    .    1    .    2]" 1 
        713 1  60 VAL H    1  60 VAL MG2  3.060     . 3.060 2.340 1.955 2.926     .  0 0 "[    .    1    .    2]" 1 
        714 1  27 VAL MG2  1  28 ALA MB   3.790     . 3.790 2.862 2.697 3.024     .  0 0 "[    .    1    .    2]" 1 
        715 1  63 VAL MG2  1  80 VAL HB   3.950     . 3.950 2.664 2.395 2.889     .  0 0 "[    .    1    .    2]" 1 
        716 1  63 VAL H    1  63 VAL MG2  3.490     . 3.490 2.001 1.945 2.126     .  0 0 "[    .    1    .    2]" 1 
        717 1  43 SER H    1  80 VAL MG1  4.100     . 4.100 3.376 2.679 3.775     .  0 0 "[    .    1    .    2]" 1 
        718 1  80 VAL MG1  1  81 MET HA   4.340     . 4.340 3.484 3.318 3.629     .  0 0 "[    .    1    .    2]" 1 
        719 1  41 LEU MD2  1 102 ASN HB2  4.010     . 4.010 2.705 2.209 3.104     .  0 0 "[    .    1    .    2]" 1 
        720 1 106 LEU QB   1 106 LEU MD2  3.040     . 3.040 2.353 2.064 2.597     .  0 0 "[    .    1    .    2]" 1 
        721 1  46 ILE HG12 1  80 VAL MG1  4.070     . 4.070 3.042 2.824 3.281     .  0 0 "[    .    1    .    2]" 1 
        722 1  38 LEU MD1  1  76 LEU MD1  3.620     . 3.620 3.420 3.164 3.603     .  0 0 "[    .    1    .    2]" 1 
        723 1  63 VAL MG2  1  68 LEU MD2  4.570     . 4.570 4.298 3.835 4.597 0.027 10 0 "[    .    1    .    2]" 1 
        724 1  46 ILE HG13 1  80 VAL MG1  4.070     . 4.070 2.049 1.948 2.218     .  0 0 "[    .    1    .    2]" 1 
        725 1  68 LEU MD1  1  80 VAL MG1  4.030     . 4.030 2.142 1.901 2.759     .  0 0 "[    .    1    .    2]" 1 
        726 1  69 ALA MB   1  76 LEU MD1  4.060     . 4.060 3.567 3.185 3.740     .  0 0 "[    .    1    .    2]" 1 
        727 1  63 VAL MG1  1  80 VAL MG2  4.090     . 4.090 2.728 2.401 3.286     .  0 0 "[    .    1    .    2]" 1 
        728 1  41 LEU MD2  1 102 ASN HB3  3.930     . 3.930 2.080 1.906 2.591     .  0 0 "[    .    1    .    2]" 1 
        729 1  97 LEU HB2  1  97 LEU MD2  3.380     . 3.380 2.334 2.213 2.433     .  0 0 "[    .    1    .    2]" 1 
        730 1  97 LEU HB3  1  97 LEU MD2  3.380     . 3.380 2.328 2.265 2.434     .  0 0 "[    .    1    .    2]" 1 
        731 1  69 ALA MB   1  70 PRO HG3  4.430     . 4.430 4.286 4.179 4.431 0.001 15 0 "[    .    1    .    2]" 1 
        732 1 100 LEU HA   1 100 LEU MD2  3.370     . 3.370 2.010 1.929 2.296     .  0 0 "[    .    1    .    2]" 1 
        733 1  24 GLN HA   1  27 VAL MG2  3.300     . 3.300 2.096 1.957 2.221     .  0 0 "[    .    1    .    2]" 1 
        734 1  27 VAL H    1  27 VAL MG2  3.500     . 3.500 2.082 1.960 2.303     .  0 0 "[    .    1    .    2]" 1 
        735 1  38 LEU H    1  76 LEU MD1  4.700     . 4.700 4.485 4.288 4.575     .  0 0 "[    .    1    .    2]" 1 
        736 1  38 LEU H    1  38 LEU MD1  4.110     . 4.110 3.790 3.645 3.866     .  0 0 "[    .    1    .    2]" 1 
        737 1  26 ILE H    1  27 VAL MG2  4.020     . 4.020 3.797 3.665 4.016     .  0 0 "[    .    1    .    2]" 1 
        738 1  18 LEU HA   1  18 LEU MD2  3.950     . 3.950 3.777 3.763 3.795     .  0 0 "[    .    1    .    2]" 1 
        739 1 105 LYS HA   1 105 LYS HG3  4.070     . 4.070 2.333 2.023 2.889     .  0 0 "[    .    1    .    2]" 1 
        740 1  37 THR MG   1 108 MET ME   3.940     . 3.940 3.828 3.357 3.944 0.004 20 0 "[    .    1    .    2]" 1 
        741 1  37 THR MG   1  41 LEU HG   3.940     . 3.940 2.097 1.984 2.234     .  0 0 "[    .    1    .    2]" 1 
        742 1  26 ILE MD   1  41 LEU MD1  3.460     . 3.460 2.458 2.075 2.879     .  0 0 "[    .    1    .    2]" 1 
        743 1  68 LEU MD1  1  80 VAL MG2  3.570     . 3.570 1.953 1.794 2.579 0.006 16 0 "[    .    1    .    2]" 1 
        744 1  38 LEU MD2  1  76 LEU MD2  3.870     . 3.870 3.712 3.488 3.874 0.004 15 0 "[    .    1    .    2]" 1 
        745 1  14 THR MG   1  18 LEU MD2  3.450     . 3.450 3.461 3.452 3.467 0.017  9 0 "[    .    1    .    2]" 1 
        746 1  40 LEU HA   1  83 LEU MD1  3.640     . 3.640 2.516 2.083 2.827     .  0 0 "[    .    1    .    2]" 1 
        747 1 106 LEU QB   1 106 LEU MD1  3.010     . 3.010 1.972 1.912 2.054     .  0 0 "[    .    1    .    2]" 1 
        748 1 100 LEU HB3  1 100 LEU MD1  3.590     . 3.590 2.335 2.143 2.554     .  0 0 "[    .    1    .    2]" 1 
        749 1  25 ASP HB3  1  31 LEU MD1  4.630     . 4.630 3.784 2.838 4.085     .  0 0 "[    .    1    .    2]" 1 
        750 1  31 LEU MD1  1 108 MET ME   3.490     . 3.490 2.682 2.161 3.368     .  0 0 "[    .    1    .    2]" 1 
        751 1  31 LEU MD1  1  32 PRO QD   4.120     . 4.120 3.921 3.557 4.129 0.009 20 0 "[    .    1    .    2]" 1 
        752 1  40 LEU H    1  40 LEU MD2  4.580     . 4.580 4.015 3.932 4.116     .  0 0 "[    .    1    .    2]" 1 
        753 1  46 ILE MD   1  68 LEU MD1  3.720     . 3.720 3.263 2.500 3.726 0.006 13 0 "[    .    1    .    2]" 1 
        754 1  97 LEU H    1  97 LEU HG   4.820     . 4.820 4.564 4.510 4.597     .  0 0 "[    .    1    .    2]" 1 
        755 1  74 LYS HA   1  74 LYS QD   4.400     . 4.400 4.011 3.198 4.377     .  0 0 "[    .    1    .    2]" 1 
        756 1  79 LYS H    1  82 GLU QB   4.950     . 4.950 4.422 4.323 4.478     .  0 0 "[    .    1    .    2]" 1 
        757 1  15 ARG HB2  1  16 TYR H    4.570     . 4.570 3.546 3.159 4.010     .  0 0 "[    .    1    .    2]" 1 
        758 1  88 ARG QB   1  88 ARG HE   4.410     . 4.410 3.501 2.297 4.412 0.002  5 0 "[    .    1    .    2]" 1 
        759 1  27 VAL H    1  27 VAL HB   4.040     . 4.040 3.611 3.603 3.619     .  0 0 "[    .    1    .    2]" 1 
        760 1 102 ASN HA   1 105 LYS QB   3.730     . 3.730 2.723 2.502 3.098     .  0 0 "[    .    1    .    2]" 1 
        761 1  21 GLN HA   1  21 GLN HG3  4.140     . 4.140 3.051 2.412 3.783     .  0 0 "[    .    1    .    2]" 1 
        762 1  21 GLN HA   1  21 GLN HG2  4.140     . 4.140 2.376 2.027 3.837     .  0 0 "[    .    1    .    2]" 1 
        763 1  21 GLN H    1  21 GLN HG3  4.490     . 4.490 3.423 2.569 4.349     .  0 0 "[    .    1    .    2]" 1 
        764 1  21 GLN H    1  21 GLN HG2  4.490     . 4.490 3.774 2.177 4.467     .  0 0 "[    .    1    .    2]" 1 
        765 1   7 ALA MB   1   8 GLN QG   4.600     . 4.600 4.118 3.118 4.603 0.003 11 0 "[    .    1    .    2]" 1 
        766 1  94 GLN QG   1  97 LEU MD2  4.870     . 4.870 4.352 4.061 4.865     .  0 0 "[    .    1    .    2]" 1 
        767 1 101 GLU H    1 101 GLU QG   3.960     . 3.960 3.491 2.476 4.009 0.049 15 0 "[    .    1    .    2]" 1 
        768 1  77 GLU H    1  77 GLU HG2  4.470     . 4.470 3.800 2.825 4.468     .  0 0 "[    .    1    .    2]" 1 
        769 1  82 GLU H    1  82 GLU HG3  5.060     . 5.060 3.970 3.082 4.427     .  0 0 "[    .    1    .    2]" 1 
        770 1  66 PHE HB3  1  68 LEU MD2  4.700     . 4.700 2.902 2.277 3.675     .  0 0 "[    .    1    .    2]" 1 
        771 1  18 LEU HB2  1  19 CYS H    3.990     . 3.990 3.244 3.215 3.354     .  0 0 "[    .    1    .    2]" 1 
        772 1  38 LEU HB3  1  39 ALA H    4.670     . 4.670 3.291 3.229 3.367     .  0 0 "[    .    1    .    2]" 1 
        773 1 102 ASN HA   1 105 LYS QE   4.310     . 4.310 3.564 2.021 4.111     .  0 0 "[    .    1    .    2]" 1 
        774 1  15 ARG HD2  1 100 LEU MD1  5.500     . 5.500 3.111 1.889 4.408     .  0 0 "[    .    1    .    2]" 1 
        775 1  57 LEU HB2  1  58 HIS H    4.630     . 4.630 2.709 2.479 3.228     .  0 0 "[    .    1    .    2]" 1 
        776 1  54 ASP HA   1  55 PRO HD3  4.090     . 4.090 2.410 2.030 2.688     .  0 0 "[    .    1    .    2]" 1 
        777 1   6 PRO HD2  1   7 ALA MB   4.550     . 4.550 3.855 3.600 4.110     .  0 0 "[    .    1    .    2]" 1 
        778 1  54 ASP HA   1  55 PRO HD2  4.090     . 4.090 2.243 1.951 2.550     .  0 0 "[    .    1    .    2]" 1 
        779 1   5 ASP HA   1   6 PRO HD2  3.560     . 3.560 2.161 1.983 2.480     .  0 0 "[    .    1    .    2]" 1 
        780 1 105 LYS QB   1 106 LEU HA   4.530     . 4.530 4.033 3.954 4.202     .  0 0 "[    .    1    .    2]" 1 
        781 1  93 ALA HA   1  96 ASP H    4.390     . 4.390 3.383 3.251 3.546     .  0 0 "[    .    1    .    2]" 1 
        782 1 103 ALA HA   1 106 LEU MD2  4.690     . 4.690 4.625 3.817 4.714 0.024 14 0 "[    .    1    .    2]" 1 
        783 1   4 MET HA   1   4 MET ME   4.480     . 4.480 3.557 2.170 4.399     .  0 0 "[    .    1    .    2]" 1 
        784 1  41 LEU MD2  1 103 ALA HA   4.590     . 4.590 3.914 3.521 4.379     .  0 0 "[    .    1    .    2]" 1 
        785 1  12 ASP HA   1  16 TYR H    4.980     . 4.980 4.069 3.826 4.299     .  0 0 "[    .    1    .    2]" 1 
        786 1  18 LEU HA   1  22 LEU H    4.390     . 4.390 4.078 3.844 4.338     .  0 0 "[    .    1    .    2]" 1 
        787 1 108 MET HA   1 108 MET HG2  4.110     . 4.110 2.834 2.366 3.676     .  0 0 "[    .    1    .    2]" 1 
        788 1 108 MET HA   1 108 MET HG3  4.110     . 4.110 3.616 3.111 3.881     .  0 0 "[    .    1    .    2]" 1 
        789 1  79 LYS HA   1  82 GLU QB   3.790     . 3.790 2.504 2.309 2.712     .  0 0 "[    .    1    .    2]" 1 
        790 1  38 LEU HA   1  38 LEU MD2  3.140     . 3.140 2.004 1.933 2.103     .  0 0 "[    .    1    .    2]" 1 
        791 1  94 GLN HA   1  97 LEU MD2  3.750     . 3.750 3.711 3.441 3.765 0.015 16 0 "[    .    1    .    2]" 1 
        792 1  74 LYS HA   1  74 LYS QG   3.970     . 3.970 2.678 2.051 3.394     .  0 0 "[    .    1    .    2]" 1 
        793 1  20 LEU QB   1  21 GLN HA   4.460     . 4.460 3.845 3.808 3.902     .  0 0 "[    .    1    .    2]" 1 
        794 1  24 GLN HA   1  24 GLN HG2  4.130     . 4.130 2.721 2.020 4.142 0.012 19 0 "[    .    1    .    2]" 1 
        795 1  49 GLU HA   1  49 GLU HG3  4.250     . 4.250 2.933 2.043 3.607     .  0 0 "[    .    1    .    2]" 1 
        796 1  94 GLN HA   1  97 LEU HB3  3.820     . 3.820 3.185 3.049 3.684     .  0 0 "[    .    1    .    2]" 1 
        797 1  24 GLN HA   1  26 ILE H    4.770     . 4.770 4.535 4.329 4.766     .  0 0 "[    .    1    .    2]" 1 
        798 1  97 LEU HA   1  99 PHE H    5.050     . 5.050 4.738 4.648 4.802     .  0 0 "[    .    1    .    2]" 1 
        799 1  97 LEU HA   1 100 LEU H    5.210     . 5.210 3.707 3.606 3.807     .  0 0 "[    .    1    .    2]" 1 
        800 1  47 GLN HA   1  49 GLU H    4.840     . 4.840 4.203 4.108 4.299     .  0 0 "[    .    1    .    2]" 1 
        801 1  24 GLN HA   1  27 VAL H    4.550     . 4.550 3.873 3.729 4.065     .  0 0 "[    .    1    .    2]" 1 
        802 1  21 GLN HA   1  24 GLN H    4.160     . 4.160 3.497 3.403 3.622     .  0 0 "[    .    1    .    2]" 1 
        803 1  94 GLN HA   1  97 LEU H    4.570     . 4.570 3.632 3.509 3.746     .  0 0 "[    .    1    .    2]" 1 
        804 1  84 HIS HA   1  84 HIS HD2  4.220     . 4.220 2.936 2.568 3.487     .  0 0 "[    .    1    .    2]" 1 
        805 1  17 TYR HA   1  20 LEU QB   3.890     . 3.890 2.562 2.410 2.729     .  0 0 "[    .    1    .    2]" 1 
        806 1  17 TYR HA   1  20 LEU MD1  4.040     . 4.040 2.355 1.966 2.755     .  0 0 "[    .    1    .    2]" 1 
        807 1  63 VAL HA   1  66 PHE QE   4.500     . 4.500 4.218 3.837 4.507 0.007  1 0 "[    .    1    .    2]" 1 
        808 1  10 THR HA   1  13 ILE HB   4.390     . 4.390 2.793 2.571 2.924     .  0 0 "[    .    1    .    2]" 1 
        809 1  35 PHE HA   1  76 LEU MD1  4.560     . 4.560 3.970 3.659 4.155     .  0 0 "[    .    1    .    2]" 1 
        810 1  27 VAL HA   1  70 PRO HD2  5.050     . 5.050 3.569 3.362 4.307     .  0 0 "[    .    1    .    2]" 1 
        811 1  26 ILE HA   1  31 LEU H    4.470     . 4.470 3.727 3.348 3.989     .  0 0 "[    .    1    .    2]" 1 
        812 1  45 THR HB   1  46 ILE H    4.430     . 4.430 2.675 2.560 3.536     .  0 0 "[    .    1    .    2]" 1 
        813 1  10 THR HB   1  12 ASP H    5.460     . 5.460 5.019 4.677 5.405     .  0 0 "[    .    1    .    2]" 1 
        814 1  13 ILE MD   1  17 TYR QD   5.320     . 5.320 4.746 4.376 5.199     .  0 0 "[    .    1    .    2]" 1 
        815 1  13 ILE MD   1  17 TYR QE   4.480     . 4.480 3.903 3.675 4.481 0.001 15 0 "[    .    1    .    2]" 1 
        816 1  46 ILE MD   1  63 VAL HB   4.880     . 4.880 4.742 4.331 4.886 0.006 14 0 "[    .    1    .    2]" 1 
        817 1  63 VAL MG1  1  68 LEU MD2  3.770     . 3.770 2.619 1.990 3.031     .  0 0 "[    .    1    .    2]" 1 
        818 1  95 ALA HA   1  99 PHE H    5.450     . 5.450 4.119 3.779 4.221     .  0 0 "[    .    1    .    2]" 1 
        819 1  47 GLN H    1  48 SER HA   5.360     . 5.360 5.321 5.299 5.352     .  0 0 "[    .    1    .    2]" 1 
        820 1 101 GLU HA   1 102 ASN HB2  5.500     . 5.500 5.534 5.530 5.540 0.040 20 0 "[    .    1    .    2]" 1 
        821 1 108 MET HA   1 108 MET ME   4.600     . 4.600 4.011 3.395 4.601 0.001  5 0 "[    .    1    .    2]" 1 
        822 1  31 LEU HA   1  32 PRO QD   3.410     . 3.410 1.994 1.923 2.035     .  0 0 "[    .    1    .    2]" 1 
        823 1  31 LEU HA   1  31 LEU MD2  3.720     . 3.720 2.963 1.985 3.334     .  0 0 "[    .    1    .    2]" 1 
        824 1  35 PHE QD   1  76 LEU MD2  4.920     . 4.920 4.442 4.069 4.722     .  0 0 "[    .    1    .    2]" 1 
        825 1  99 PHE QD   1 103 ALA MB   4.640     . 4.640 3.610 3.438 3.855     .  0 0 "[    .    1    .    2]" 1 
        826 1 103 ALA MB   1 106 LEU H    5.150     . 5.150 4.489 4.398 4.573     .  0 0 "[    .    1    .    2]" 1 
        827 1  39 ALA MB   1  83 LEU MD1  3.410     . 3.410 2.426 2.182 2.668     .  0 0 "[    .    1    .    2]" 1 
        828 1 108 MET H    1 109 TYR QD   4.820     . 4.820 3.221 2.340 3.869     .  0 0 "[    .    1    .    2]" 1 
        829 1  46 ILE MD   1  80 VAL MG1  3.720     . 3.720 3.031 2.836 3.141     .  0 0 "[    .    1    .    2]" 1 
        830 1  45 THR MG   1  46 ILE MD   4.000     . 4.000 3.708 2.652 3.957     .  0 0 "[    .    1    .    2]" 1 
        831 1  46 ILE MD   1  68 LEU MD2  3.610     . 3.610 2.045 1.917 2.267     .  0 0 "[    .    1    .    2]" 1 
        832 1  46 ILE MD   1  63 VAL MG1  3.570     . 3.570 2.336 1.985 2.759     .  0 0 "[    .    1    .    2]" 1 
        833 1  46 ILE MD   1  63 VAL HA   4.000     . 4.000 2.988 2.578 3.669     .  0 0 "[    .    1    .    2]" 1 
        834 1  46 ILE HA   1  46 ILE MD   3.410     . 3.410 2.086 1.981 2.168     .  0 0 "[    .    1    .    2]" 1 
        835 1  46 ILE MD   1  66 PHE HB3  4.360     . 4.360 2.598 2.271 3.003     .  0 0 "[    .    1    .    2]" 1 
        836 1  13 ILE HA   1  13 ILE MD   3.960     . 3.960 2.331 1.954 3.720     .  0 0 "[    .    1    .    2]" 1 
        837 1  26 ILE MD   1  41 LEU MD2  4.350     . 4.350 3.804 3.530 4.354 0.004 20 0 "[    .    1    .    2]" 1 
        838 1  26 ILE HB   1  26 ILE MD   3.160     . 3.160 2.119 2.084 2.227     .  0 0 "[    .    1    .    2]" 1 
        839 1  23 ARG HA   1  26 ILE MD   3.880     . 3.880 2.135 1.925 2.621     .  0 0 "[    .    1    .    2]" 1 
        840 1  26 ILE HA   1  26 ILE MD   4.040     . 4.040 3.901 3.874 3.917     .  0 0 "[    .    1    .    2]" 1 
        841 1  46 ILE MG   1  50 LEU HG   4.010     . 4.010 3.931 3.711 4.039 0.029 16 0 "[    .    1    .    2]" 1 
        842 1  45 THR MG   1  46 ILE MG   5.460     . 5.460 5.132 4.156 5.370     .  0 0 "[    .    1    .    2]" 1 
        843 1  46 ILE MG   1  80 VAL MG2  5.500     . 5.500 5.306 5.089 5.500 0.000 20 0 "[    .    1    .    2]" 1 
        844 1  46 ILE HA   1  46 ILE MG   3.670     . 3.670 2.455 2.389 2.485     .  0 0 "[    .    1    .    2]" 1 
        845 1  39 ALA MB   1  76 LEU MD1  3.370     . 3.370 2.036 1.882 2.206     .  0 0 "[    .    1    .    2]" 1 
        846 1  39 ALA MB   1  83 LEU HG   5.290     . 5.290 4.512 4.126 4.904     .  0 0 "[    .    1    .    2]" 1 
        847 1  13 ILE HA   1  13 ILE MG   3.630     . 3.630 2.382 2.331 2.476     .  0 0 "[    .    1    .    2]" 1 
        848 1  36 ALA HA   1  39 ALA MB   3.700     . 3.700 2.928 2.863 2.998     .  0 0 "[    .    1    .    2]" 1 
        849 1  35 PHE QD   1  39 ALA MB   4.310     . 4.310 3.653 3.478 4.004     .  0 0 "[    .    1    .    2]" 1 
        850 1  35 PHE HZ   1  39 ALA MB   4.400     . 4.400 3.887 3.690 4.056     .  0 0 "[    .    1    .    2]" 1 
        851 1  39 ALA MB   1  43 SER H    4.920     . 4.920 4.316 4.234 4.392     .  0 0 "[    .    1    .    2]" 1 
        852 1  22 LEU MD1  1 103 ALA MB   3.740     . 3.740 2.248 1.925 3.744 0.004 14 0 "[    .    1    .    2]" 1 
        853 1  41 LEU MD1  1 103 ALA MB   4.110     . 4.110 4.020 3.748 4.115 0.005  2 0 "[    .    1    .    2]" 1 
        854 1  31 LEU HB2  1 108 MET ME   4.320     . 4.320 3.837 3.252 4.318     .  0 0 "[    .    1    .    2]" 1 
        855 1  31 LEU HB3  1 108 MET ME   4.320     . 4.320 3.102 2.708 3.433     .  0 0 "[    .    1    .    2]" 1 
        856 1  41 LEU MD1  1 108 MET ME   3.200     . 3.200 3.024 2.748 3.212 0.012 20 0 "[    .    1    .    2]" 1 
        857 1  41 LEU MD2  1 108 MET ME   4.650     . 4.650 4.233 3.881 4.646     .  0 0 "[    .    1    .    2]" 1 
        858 1  47 GLN QG   1  95 ALA MB   4.500     . 4.500 3.438 2.202 4.503 0.003  9 0 "[    .    1    .    2]" 1 
        859 1  92 PRO QB   1  95 ALA MB   5.020     . 5.020 4.238 4.081 4.353     .  0 0 "[    .    1    .    2]" 1 
        860 1 100 LEU HA   1 103 ALA MB   3.590     . 3.590 2.821 2.674 3.032     .  0 0 "[    .    1    .    2]" 1 
        861 1  48 SER QB   1  95 ALA MB   3.820     . 3.820 2.413 1.904 3.407     .  0 0 "[    .    1    .    2]" 1 
        862 1  22 LEU HA   1 108 MET ME   4.960     . 4.960 4.651 4.100 4.964 0.004 20 0 "[    .    1    .    2]" 1 
        863 1  26 ILE HA   1 108 MET ME   4.350     . 4.350 4.204 4.013 4.355 0.005  6 0 "[    .    1    .    2]" 1 
        864 1  93 ALA MB   1  97 LEU MD2  4.340     . 4.340 4.310 4.111 4.348 0.008 16 0 "[    .    1    .    2]" 1 
        865 1 102 ASN HB3  1 103 ALA MB   4.880     . 4.880 4.068 3.995 4.153     .  0 0 "[    .    1    .    2]" 1 
        866 1  13 ILE MD   1  13 ILE MG   3.170     . 3.170 2.007 1.924 2.072     .  0 0 "[    .    1    .    2]" 1 
        867 1  25 ASP HA   1  28 ALA MB   3.600     . 3.600 2.793 2.588 2.966     .  0 0 "[    .    1    .    2]" 1 
        868 1  46 ILE MD   1  63 VAL MG2  3.750     . 3.750 3.202 2.703 3.493     .  0 0 "[    .    1    .    2]" 1 
        869 1  80 VAL HA   1  80 VAL MG1  3.730     . 3.730 2.375 2.306 2.432     .  0 0 "[    .    1    .    2]" 1 
        870 1  40 LEU HA   1  83 LEU MD2  4.630     . 4.630 4.025 3.546 4.423     .  0 0 "[    .    1    .    2]" 1 
        871 1  83 LEU HA   1  83 LEU MD2  3.100     . 3.100 2.245 1.985 2.468     .  0 0 "[    .    1    .    2]" 1 
        872 1  63 VAL MG2  1  81 MET HA   4.620     . 4.620 3.559 3.169 3.985     .  0 0 "[    .    1    .    2]" 1 
        873 1  91 THR HA   1  91 THR MG   3.650     . 3.650 2.297 2.061 2.544     .  0 0 "[    .    1    .    2]" 1 
        874 1  10 THR HA   1  10 THR MG   3.140     . 3.140 2.298 2.119 2.492     .  0 0 "[    .    1    .    2]" 1 
        875 1  14 THR HA   1  14 THR MG   3.270     . 3.270 3.224 3.219 3.227     .  0 0 "[    .    1    .    2]" 1 
        876 1  63 VAL MG2  1  80 VAL MG1  3.810     . 3.810 2.289 1.904 2.780     .  0 0 "[    .    1    .    2]" 1 
        877 1  14 THR MG   1  18 LEU MD1  4.250     . 4.250 4.253 4.182 4.262 0.012 10 0 "[    .    1    .    2]" 1 
        878 1  73 THR MG   1  76 LEU MD2  4.370     . 4.370 3.838 3.391 4.385 0.015 15 0 "[    .    1    .    2]" 1 
        879 1  41 LEU HA   1  41 LEU MD2  3.460     . 3.460 2.151 1.979 2.439     .  0 0 "[    .    1    .    2]" 1 
        880 1  41 LEU MD2  1  99 PHE HA   3.950     . 3.950 2.555 2.240 3.039     .  0 0 "[    .    1    .    2]" 1 
        881 1  69 ALA MB   1  72 GLN HA   3.790     . 3.790 3.362 2.851 3.554     .  0 0 "[    .    1    .    2]" 1 
        882 1  69 ALA MB   1  70 PRO HD2  3.880     . 3.880 1.973 1.910 2.297     .  0 0 "[    .    1    .    2]" 1 
        883 1  69 ALA MB   1  70 PRO HD3  3.880     . 3.880 3.071 2.347 3.282     .  0 0 "[    .    1    .    2]" 1 
        884 1 106 LEU HA   1 106 LEU MD2  3.060     . 3.060 2.470 1.897 3.133 0.073  5 0 "[    .    1    .    2]" 1 
        885 1  69 ALA MB   1  76 LEU MD2  3.260     . 3.260 2.070 1.847 2.265     .  0 0 "[    .    1    .    2]" 1 
        886 1 100 LEU MD2  1 103 ALA MB   4.880     . 4.880 3.469 3.343 3.660     .  0 0 "[    .    1    .    2]" 1 
        887 1  13 ILE MG   1  14 THR MG   4.760     . 4.760 4.789 4.773 4.804 0.044 18 0 "[    .    1    .    2]" 1 
        888 1  38 LEU MD2  1  69 ALA MB   3.330     . 3.330 2.434 2.064 2.771     .  0 0 "[    .    1    .    2]" 1 
        889 1  38 LEU MD1  1  69 ALA MB   3.290     . 3.290 2.314 2.090 2.688     .  0 0 "[    .    1    .    2]" 1 
        890 1  18 LEU MD2  1 100 LEU MD2  3.300     . 3.300 2.520 2.046 2.918     .  0 0 "[    .    1    .    2]" 1 
        891 1 105 LYS QB   1 106 LEU MD2  4.620     . 4.620 3.542 2.491 4.666 0.046 17 0 "[    .    1    .    2]" 1 
        892 1  50 LEU HA   1  50 LEU MD2  3.380     . 3.380 2.964 2.673 3.205     .  0 0 "[    .    1    .    2]" 1 
        893 1  68 LEU HA   1  68 LEU MD2  3.310     . 3.310 2.626 2.320 3.254     .  0 0 "[    .    1    .    2]" 1 
        894 1   9 LEU HA   1   9 LEU MD2  3.770     . 3.770 3.327 1.954 3.783 0.013  9 0 "[    .    1    .    2]" 1 
        895 1  56 GLU HA   1  57 LEU MD2  4.810     . 4.810 4.715 4.422 4.815 0.005 18 0 "[    .    1    .    2]" 1 
        896 1  76 LEU MD1  1  80 VAL MG2  3.100     . 3.100 2.361 2.206 2.665     .  0 0 "[    .    1    .    2]" 1 
        897 1  18 LEU MD1  1  22 LEU HG   5.500     . 5.500 4.693 4.182 5.404     .  0 0 "[    .    1    .    2]" 1 
        898 1  22 LEU HG   1 100 LEU MD2  5.500     . 5.500 5.369 4.145 5.508 0.008 15 0 "[    .    1    .    2]" 1 
        899 1  69 ALA MB   1  72 GLN HG3  4.550     . 4.550 3.897 3.520 4.202     .  0 0 "[    .    1    .    2]" 1 
        900 1  76 LEU HA   1  76 LEU MD1  3.310     . 3.310 2.176 1.974 2.338     .  0 0 "[    .    1    .    2]" 1 
        901 1  72 GLN HA   1  76 LEU MD1  4.760     . 4.760 4.729 4.672 4.764 0.004  7 0 "[    .    1    .    2]" 1 
        902 1  42 GLY HA3  1  68 LEU MD2  3.940     . 3.940 2.364 2.062 2.829     .  0 0 "[    .    1    .    2]" 1 
        903 1  37 THR MG   1  41 LEU MD1  3.580     . 3.580 1.832 1.796 1.957 0.004  3 0 "[    .    1    .    2]" 1 
        904 1  37 THR MG   1  41 LEU MD2  4.340     . 4.340 2.848 2.653 3.061     .  0 0 "[    .    1    .    2]" 1 
        905 1  37 THR HA   1  37 THR MG   3.570     . 3.570 2.402 2.336 2.462     .  0 0 "[    .    1    .    2]" 1 
        906 1  27 VAL HA   1  27 VAL MG2  3.270     . 3.270 3.197 3.190 3.205     .  0 0 "[    .    1    .    2]" 1 
        907 1  43 SER H    1  68 LEU MD2  5.010     . 5.010 4.234 3.790 4.789     .  0 0 "[    .    1    .    2]" 1 
        908 1  31 LEU MD2  1 108 MET ME   4.300     . 4.300 2.695 1.936 4.067     .  0 0 "[    .    1    .    2]" 1 
        909 1  50 LEU HB3  1  50 LEU MD1  3.660     . 3.660 2.876 2.767 2.982     .  0 0 "[    .    1    .    2]" 1 
        910 1  50 LEU HB2  1  50 LEU MD1  3.640     . 3.640 1.998 1.930 2.080     .  0 0 "[    .    1    .    2]" 1 
        911 1 100 LEU HB2  1 100 LEU MD1  3.590     . 3.590 2.334 2.119 2.508     .  0 0 "[    .    1    .    2]" 1 
        912 1  25 ASP HB2  1  31 LEU MD1  4.630     . 4.630 4.377 3.418 4.634 0.004 14 0 "[    .    1    .    2]" 1 
        913 1  63 VAL HB   1  68 LEU MD1  5.100     . 5.100 3.559 2.838 3.950     .  0 0 "[    .    1    .    2]" 1 
        914 1  68 LEU MD1  1  72 GLN HG3  5.270     . 5.270 3.341 2.512 4.145     .  0 0 "[    .    1    .    2]" 1 
        915 1  37 THR MG   1 106 LEU MD1  3.710     . 3.710 2.384 1.873 3.051     .  0 0 "[    .    1    .    2]" 1 
        916 1  38 LEU HB3  1  76 LEU MD2  4.240     . 4.240 2.645 2.459 2.875     .  0 0 "[    .    1    .    2]" 1 
        917 1  76 LEU HG   1  80 VAL MG2  4.560     . 4.560 2.654 2.559 2.767     .  0 0 "[    .    1    .    2]" 1 
        918 1  68 LEU MD1  1  76 LEU MD1  5.170     . 5.170 3.508 3.099 4.529     .  0 0 "[    .    1    .    2]" 1 
        919 1  37 THR HB   1  38 LEU HG   5.350     . 5.350 3.858 3.729 3.954     .  0 0 "[    .    1    .    2]" 1 
        920 1  22 LEU HA   1  22 LEU MD1  4.780     . 4.780 3.664 1.975 3.812     .  0 0 "[    .    1    .    2]" 1 
        921 1  38 LEU HB2  1  76 LEU MD2  4.240     . 4.240 3.647 3.454 3.868     .  0 0 "[    .    1    .    2]" 1 
        922 1  72 GLN HG3  1  76 LEU MD2  3.830     . 3.830 2.154 1.944 2.407     .  0 0 "[    .    1    .    2]" 1 
        923 1  76 LEU MD2  1  80 VAL MG2  3.920     . 3.920 3.722 3.631 3.820     .  0 0 "[    .    1    .    2]" 1 
        924 1  40 LEU MD2  1  41 LEU HG   3.090     . 3.090 2.596 2.366 2.878     .  0 0 "[    .    1    .    2]" 1 
        925 1  68 LEU MD1  1  76 LEU MD2  3.720     . 3.720 3.226 2.609 3.731 0.011 10 0 "[    .    1    .    2]" 1 
        926 1 104 LYS HA   1 104 LYS HD3  4.600     . 4.600 4.043 2.989 4.619 0.019  2 0 "[    .    1    .    2]" 1 
        927 1 104 LYS HA   1 104 LYS HD2  4.600     . 4.600 4.077 2.383 4.580     .  0 0 "[    .    1    .    2]" 1 
        928 1  27 VAL MG1  1  67 LYS QD   4.150     . 4.150 3.895 3.423 4.158 0.008 15 0 "[    .    1    .    2]" 1 
        929 1  48 SER HA   1  92 PRO QB   4.280     . 4.280 4.165 3.779 4.283 0.003  4 0 "[    .    1    .    2]" 1 
        930 1  94 GLN HA   1  94 GLN QG   3.790     . 3.790 2.181 2.010 2.600     .  0 0 "[    .    1    .    2]" 1 
        931 1  24 GLN HA   1  24 GLN HG3  4.130     . 4.130 3.394 2.782 3.706     .  0 0 "[    .    1    .    2]" 1 
        932 1  46 ILE HB   1  80 VAL MG1  4.560     . 4.560 3.261 3.081 3.505     .  0 0 "[    .    1    .    2]" 1 
        933 1  98 GLU HA   1 101 GLU QG   4.460     . 4.460 4.181 3.637 4.479 0.019  9 0 "[    .    1    .    2]" 1 
        934 1 101 GLU HA   1 101 GLU QG   3.510     . 3.510 2.519 2.219 2.837     .  0 0 "[    .    1    .    2]" 1 
        935 1  56 GLU HA   1  56 GLU HG2  4.200     . 4.200 3.715 3.553 3.985     .  0 0 "[    .    1    .    2]" 1 
        936 1  75 GLU HA   1  75 GLU HG3  4.110     . 4.110 3.278 2.276 3.806     .  0 0 "[    .    1    .    2]" 1 
        937 1  10 THR MG   1  13 ILE HB   4.700     . 4.700 4.067 3.392 4.466     .  0 0 "[    .    1    .    2]" 1 
        938 1  42 GLY HA2  1  46 ILE MD   4.970     . 4.970 4.638 4.516 4.761     .  0 0 "[    .    1    .    2]" 1 
        939 1  46 ILE MD   1  49 GLU HB3  5.050     . 5.050 4.172 3.997 4.394     .  0 0 "[    .    1    .    2]" 1 
        940 1  46 ILE MD   1  46 ILE MG   3.140     . 3.140 1.869 1.796 1.982 0.004 10 0 "[    .    1    .    2]" 1 
        941 1  90 MET ME   1  95 ALA HA   4.270     . 4.270 3.933 3.516 4.267     .  0 0 "[    .    1    .    2]" 1 
        942 1  78 GLU HA   1  81 MET ME   3.060     . 3.060 2.618 1.974 2.998     .  0 0 "[    .    1    .    2]" 1 
        943 1  90 MET HB3  1  90 MET ME   4.050     . 4.050 2.712 1.987 3.223     .  0 0 "[    .    1    .    2]" 1 
        944 1  90 MET ME   1  95 ALA MB   4.240     . 4.240 3.677 2.366 4.191     .  0 0 "[    .    1    .    2]" 1 
        945 1  63 VAL MG2  1  81 MET ME   3.480     . 3.480 2.353 1.887 3.255     .  0 0 "[    .    1    .    2]" 1 
        946 1  62 TYR QE   1  81 MET ME   4.830     . 4.830 4.622 3.777 4.832 0.002 19 0 "[    .    1    .    2]" 1 
        947 1  44 TYR QE   1  90 MET ME   3.250     . 3.250 2.281 1.873 3.064     .  0 0 "[    .    1    .    2]" 1 
        948 1  87 TYR HA   1  90 MET ME   4.710     . 4.710 4.054 3.673 4.678     .  0 0 "[    .    1    .    2]" 1 
        949 1  90 MET HA   1  90 MET ME   4.340     . 4.340 4.178 3.820 4.359 0.019  7 0 "[    .    1    .    2]" 1 
        950 1  99 PHE HZ   1 103 ALA MB   5.500     . 5.500 3.574 3.446 3.739     .  0 0 "[    .    1    .    2]" 1 
        951 1  93 ALA MB   1  94 GLN HA   4.890     . 4.890 3.778 3.696 3.823     .  0 0 "[    .    1    .    2]" 1 
        952 1  28 ALA MB   1  29 GLY HA2  5.050     . 5.050 4.769 4.731 4.797     .  0 0 "[    .    1    .    2]" 1 
        953 1  28 ALA MB   1  30 ARG HA   5.450     . 5.450 4.472 4.334 4.688     .  0 0 "[    .    1    .    2]" 1 
        954 1  54 ASP QB   1  57 LEU MD2  5.020     . 5.020 3.759 1.886 4.608     .  0 0 "[    .    1    .    2]" 1 
        955 1  76 LEU MD1  1  80 VAL HA   4.840     . 4.840 4.590 4.460 4.841 0.001 15 0 "[    .    1    .    2]" 1 
        956 1  72 GLN HG3  1  76 LEU MD1  4.710     . 4.710 4.216 3.962 4.365     .  0 0 "[    .    1    .    2]" 1 
        957 1  94 GLN HA   1  97 LEU HG   5.500     . 5.500 5.454 5.226 5.516 0.016 12 0 "[    .    1    .    2]" 1 
        958 1  97 LEU HG   1  98 GLU HA   5.500     . 5.500 4.480 4.151 5.411     .  0 0 "[    .    1    .    2]" 1 
        959 1  47 GLN QG   1  90 MET ME   5.160     . 5.160 3.703 1.907 4.574     .  0 0 "[    .    1    .    2]" 1 
        960 1  40 LEU MD2  1 102 ASN HB3  4.600     . 4.600 3.369 3.040 3.991     .  0 0 "[    .    1    .    2]" 1 
        961 1 105 LYS QB   1 105 LYS QE   3.700     . 3.700 2.481 1.964 3.277     .  0 0 "[    .    1    .    2]" 1 
        962 1  54 ASP QB   1  57 LEU HB2  4.910     . 4.910 2.616 1.819 3.727     .  0 0 "[    .    1    .    2]" 1 
        963 1  54 ASP QB   1  57 LEU HB3  5.500     . 5.500 3.988 2.698 5.136     .  0 0 "[    .    1    .    2]" 1 
        964 1  46 ILE MG   1  50 LEU HB2  4.920     . 4.920 3.173 3.076 3.329     .  0 0 "[    .    1    .    2]" 1 
        965 1  46 ILE MG   1  50 LEU HB3  5.020     . 5.020 4.458 4.388 4.574     .  0 0 "[    .    1    .    2]" 1 
        966 1  15 ARG HD3  1 100 LEU MD1  5.500     . 5.500 2.733 1.966 4.084     .  0 0 "[    .    1    .    2]" 1 
        967 1  29 GLY HA2  1  70 PRO HG3  4.720     . 4.720 3.342 3.066 3.824     .  0 0 "[    .    1    .    2]" 1 
        968 1  29 GLY HA3  1  70 PRO HG3  4.660     . 4.660 3.093 2.829 3.763     .  0 0 "[    .    1    .    2]" 1 
        969 1  59 GLY HA3  1  60 VAL MG1  5.500     . 5.500 4.542 3.766 5.578 0.078  5 0 "[    .    1    .    2]" 1 
        970 1  59 GLY HA3  1  60 VAL MG2  5.500     . 5.500 3.873 3.219 4.808     .  0 0 "[    .    1    .    2]" 1 
        971 1  59 GLY HA2  1  60 VAL MG1  5.500     . 5.500 4.404 3.429 5.523 0.023  1 0 "[    .    1    .    2]" 1 
        972 1  59 GLY HA2  1  60 VAL MG2  5.500     . 5.500 3.876 3.063 4.496     .  0 0 "[    .    1    .    2]" 1 
        973 1  42 GLY HA3  1  68 LEU HA   5.500     . 5.500 4.510 3.999 4.914     .  0 0 "[    .    1    .    2]" 1 
        974 1  42 GLY HA3  1  80 VAL MG2  4.940     . 4.940 3.130 2.786 3.442     .  0 0 "[    .    1    .    2]" 1 
        975 1  42 GLY HA2  1  45 THR MG   5.130     . 5.130 4.082 2.548 4.264     .  0 0 "[    .    1    .    2]" 1 
        976 1  42 GLY HA2  1  80 VAL MG2  5.490     . 5.490 4.550 4.266 4.826     .  0 0 "[    .    1    .    2]" 1 
        977 1  42 GLY HA2  1  68 LEU MD2  4.590     . 4.590 2.406 1.999 2.944     .  0 0 "[    .    1    .    2]" 1 
        978 1  42 GLY HA3  1  68 LEU MD1  5.190     . 5.190 3.540 2.300 4.420     .  0 0 "[    .    1    .    2]" 1 
        979 1  26 ILE MG   1  69 ALA HA   3.910     . 3.910 3.542 3.066 3.740     .  0 0 "[    .    1    .    2]" 1 
        980 1  27 VAL MG1  1  69 ALA HA   4.400     . 4.400 2.807 2.589 3.274     .  0 0 "[    .    1    .    2]" 1 
        981 1  54 ASP HA   1  55 PRO HG2  4.770     . 4.770 4.349 4.132 4.515     .  0 0 "[    .    1    .    2]" 1 
        982 1   5 ASP HA   1   6 PRO HD3  3.500     . 3.500 2.388 2.227 2.574     .  0 0 "[    .    1    .    2]" 1 
        983 1  27 VAL MG2  1  28 ALA HA   4.340     . 4.340 3.448 3.296 3.580     .  0 0 "[    .    1    .    2]" 1 
        984 1  39 ALA HA   1  76 LEU MD2  5.360     . 5.360 4.292 4.070 4.554     .  0 0 "[    .    1    .    2]" 1 
        985 1  39 ALA HA   1  83 LEU MD1  5.500     . 5.500 4.156 3.897 4.410     .  0 0 "[    .    1    .    2]" 1 
        986 1  61 ASP HA   1  81 MET ME   4.130     . 4.130 2.817 1.901 3.640     .  0 0 "[    .    1    .    2]" 1 
        987 1  87 TYR HA   1  88 ARG QB   4.780     . 4.780 4.333 4.004 4.561     .  0 0 "[    .    1    .    2]" 1 
        988 1  92 PRO QB   1  93 ALA HA   4.850     . 4.850 3.733 3.667 3.816     .  0 0 "[    .    1    .    2]" 1 
        989 1 106 LEU HA   1 106 LEU MD1  3.420     . 3.420 3.439 2.837 3.504 0.084 15 0 "[    .    1    .    2]" 1 
        990 1 103 ALA HA   1 106 LEU QB   4.170     . 4.170 2.740 2.018 3.060     .  0 0 "[    .    1    .    2]" 1 
        991 1  67 LYS HA   1  67 LYS QD   4.190     . 4.190 3.668 2.810 4.069     .  0 0 "[    .    1    .    2]" 1 
        992 1  57 LEU HA   1  57 LEU HG   4.220     . 4.220 3.305 3.132 3.665     .  0 0 "[    .    1    .    2]" 1 
        993 1  95 ALA HA   1  98 GLU QB   4.340     . 4.340 2.353 2.187 3.466     .  0 0 "[    .    1    .    2]" 1 
        994 1  27 VAL MG1  1  67 LYS HA   4.890     . 4.890 3.872 3.483 4.176     .  0 0 "[    .    1    .    2]" 1 
        995 1  67 LYS HA   1  68 LEU MD2  5.500     . 5.500 4.834 4.091 5.475     .  0 0 "[    .    1    .    2]" 1 
        996 1   3 HIS HA   1   3 HIS HD2  4.750     . 4.750 3.625 2.255 4.656     .  0 0 "[    .    1    .    2]" 1 
        997 1   8 GLN HA   1   8 GLN QG   3.640     . 3.640 2.470 2.200 3.341     .  0 0 "[    .    1    .    2]" 1 
        998 1 102 ASN HA   1 105 LYS QD   4.170     . 4.170 3.752 2.719 4.175 0.005  1 0 "[    .    1    .    2]" 1 
        999 1  31 LEU MD2  1 108 MET HA   4.530     . 4.530 3.584 2.815 4.512     .  0 0 "[    .    1    .    2]" 1 
       1000 1  56 GLU HA   1  56 GLU HG3  4.200     . 4.200 3.858 3.571 4.194     .  0 0 "[    .    1    .    2]" 1 
       1001 1  72 GLN HA   1  72 GLN HG3  3.990     . 3.990 2.350 2.189 2.549     .  0 0 "[    .    1    .    2]" 1 
       1002 1  88 ARG HA   1  88 ARG QG   3.820     . 3.820 2.719 2.050 3.426     .  0 0 "[    .    1    .    2]" 1 
       1003 1  72 GLN HA   1  76 LEU HG   4.700     . 4.700 4.123 3.898 4.243     .  0 0 "[    .    1    .    2]" 1 
       1004 1  72 GLN HA   1  76 LEU MD2  3.860     . 3.860 2.040 1.957 2.289     .  0 0 "[    .    1    .    2]" 1 
       1005 1  49 GLU HA   1  49 GLU HG2  4.250     . 4.250 2.730 2.217 3.580     .  0 0 "[    .    1    .    2]" 1 
       1006 1  11 GLU HA   1  11 GLU QG   3.750     . 3.750 2.609 2.224 3.333     .  0 0 "[    .    1    .    2]" 1 
       1007 1  94 GLN HA   1  97 LEU HB2  3.820     . 3.820 3.558 2.800 3.826 0.006 17 0 "[    .    1    .    2]" 1 
       1008 1  39 ALA MB   1  76 LEU HA   5.170     . 5.170 2.943 2.744 3.120     .  0 0 "[    .    1    .    2]" 1 
       1009 1  76 LEU HA   1  80 VAL MG2  5.500     . 5.500 3.751 3.668 3.812     .  0 0 "[    .    1    .    2]" 1 
       1010 1  38 LEU HA   1  38 LEU MD1  4.180     . 4.180 3.796 3.771 3.838     .  0 0 "[    .    1    .    2]" 1 
       1011 1  46 ILE MG   1  47 GLN HA   4.940     . 4.940 3.346 3.258 3.474     .  0 0 "[    .    1    .    2]" 1 
       1012 1 105 LYS HA   1 105 LYS HG2  4.070     . 4.070 2.952 2.329 3.471     .  0 0 "[    .    1    .    2]" 1 
       1013 1  97 LEU HA   1  97 LEU MD1  3.310     . 3.310 2.034 1.927 2.204     .  0 0 "[    .    1    .    2]" 1 
       1014 1  82 GLU HA   1  82 GLU HG2  4.110     . 4.110 2.745 2.066 3.684     .  0 0 "[    .    1    .    2]" 1 
       1015 1  82 GLU HA   1  82 GLU HG3  4.110     . 4.110 2.731 2.034 3.570     .  0 0 "[    .    1    .    2]" 1 
       1016 1  82 GLU HA   1  85 LYS QD   4.220     . 4.220 3.906 2.664 4.232 0.012 11 0 "[    .    1    .    2]" 1 
       1017 1  73 THR HA   1  73 THR MG   3.200     . 3.200 2.862 2.138 3.219 0.019 18 0 "[    .    1    .    2]" 1 
       1018 1  75 GLU HA   1  75 GLU HG2  4.110     . 4.110 2.858 2.043 3.730     .  0 0 "[    .    1    .    2]" 1 
       1019 1  48 SER HA   1  95 ALA MB   4.640     . 4.640 3.420 3.152 3.768     .  0 0 "[    .    1    .    2]" 1 
       1020 1  77 GLU HA   1  80 VAL MG2  4.390     . 4.390 2.383 2.053 2.665     .  0 0 "[    .    1    .    2]" 1 
       1021 1  15 ARG HA   1 100 LEU MD2  4.450     . 4.450 3.673 3.194 3.993     .  0 0 "[    .    1    .    2]" 1 
       1022 1  47 GLN QG   1  48 SER HA   5.370     . 5.370 4.217 3.226 5.283     .  0 0 "[    .    1    .    2]" 1 
       1023 1  16 TYR HA   1  20 LEU HG   4.790     . 4.790 4.247 4.094 4.574     .  0 0 "[    .    1    .    2]" 1 
       1024 1  17 TYR HA   1  20 LEU HG   5.140     . 5.140 3.640 3.252 3.829     .  0 0 "[    .    1    .    2]" 1 
       1025 1  44 TYR HA   1  44 TYR QE   4.610     . 4.610 4.236 4.182 4.278     .  0 0 "[    .    1    .    2]" 1 
       1026 1  44 TYR HA   1  95 ALA MB   4.580     . 4.580 3.440 3.059 3.894     .  0 0 "[    .    1    .    2]" 1 
       1027 1  46 ILE HA   1  49 GLU HB3  4.860     . 4.860 3.542 3.339 3.752     .  0 0 "[    .    1    .    2]" 1 
       1028 1  45 THR MG   1  46 ILE HA   4.650     . 4.650 3.698 3.014 3.959     .  0 0 "[    .    1    .    2]" 1 
       1029 1  35 PHE HA   1  38 LEU MD1  3.900     . 3.900 2.670 2.432 2.817     .  0 0 "[    .    1    .    2]" 1 
       1030 1  60 VAL HA   1  81 MET ME   4.890     . 4.890 4.610 3.847 4.902 0.012 19 0 "[    .    1    .    2]" 1 
       1031 1  60 VAL HA   1  60 VAL MG1  3.230     . 3.230 2.276 2.115 2.505     .  0 0 "[    .    1    .    2]" 1 
       1032 1  10 THR HA   1  13 ILE MG   4.780     . 4.780 4.173 4.002 4.308     .  0 0 "[    .    1    .    2]" 1 
       1033 1  35 PHE HA   1  39 ALA MB   4.570     . 4.570 4.587 4.579 4.594 0.024 18 0 "[    .    1    .    2]" 1 
       1034 1  10 THR HA   1  13 ILE MD   4.500     . 4.500 4.342 3.608 4.522 0.022 11 0 "[    .    1    .    2]" 1 
       1035 1  45 THR HA   1  48 SER QB   4.280     . 4.280 2.979 2.597 3.727     .  0 0 "[    .    1    .    2]" 1 
       1036 1  13 ILE HA   1  16 TYR HB2  4.490     . 4.490 3.830 3.409 4.184     .  0 0 "[    .    1    .    2]" 1 
       1037 1  13 ILE HA   1  16 TYR HB3  4.490     . 4.490 3.183 2.793 3.356     .  0 0 "[    .    1    .    2]" 1 
       1038 1  27 VAL HA   1  70 PRO HA   4.770     . 4.770 4.470 4.210 4.733     .  0 0 "[    .    1    .    2]" 1 
       1039 1  69 ALA MB   1  70 PRO HA   4.800     . 4.800 4.374 4.331 4.463     .  0 0 "[    .    1    .    2]" 1 
       1040 1  27 VAL MG1  1  70 PRO HA   5.420     . 5.420 5.094 4.877 5.345     .  0 0 "[    .    1    .    2]" 1 
       1041 1  19 CYS HA   1 100 LEU MD2  4.320     . 4.320 3.751 3.425 4.095     .  0 0 "[    .    1    .    2]" 1 
       1042 1  14 THR HA   1  17 TYR QD   5.150     . 5.150 3.681 3.001 4.636     .  0 0 "[    .    1    .    2]" 1 
       1043 1  36 ALA MB   1  37 THR HA   4.700     . 4.700 3.783 3.730 3.827     .  0 0 "[    .    1    .    2]" 1 
       1044 1  26 ILE HA   1  26 ILE MG   3.400     . 3.400 2.329 2.237 2.425     .  0 0 "[    .    1    .    2]" 1 
       1045 1  37 THR HA   1  40 LEU HB3  4.390     . 4.390 2.336 2.297 2.393     .  0 0 "[    .    1    .    2]" 1 
       1046 1  37 THR HA   1  40 LEU HB2  4.390     . 4.390 3.376 3.324 3.472     .  0 0 "[    .    1    .    2]" 1 
       1047 1  92 PRO HA   1  95 ALA MB   4.230     . 4.230 2.881 2.779 2.956     .  0 0 "[    .    1    .    2]" 1 
       1048 1  13 ILE MG   1  14 THR HA   4.810     . 4.810 3.365 3.234 3.414     .  0 0 "[    .    1    .    2]" 1 
       1049 1  37 THR HA   1  40 LEU MD2  4.080     . 4.080 3.330 3.155 3.526     .  0 0 "[    .    1    .    2]" 1 
       1050 1  27 VAL HA   1  69 ALA HA   4.460     . 4.460 2.131 1.974 2.443     .  0 0 "[    .    1    .    2]" 1 
       1051 1  48 SER HA   1  92 PRO HA   3.880     . 3.880 3.694 3.338 3.889 0.009 16 0 "[    .    1    .    2]" 1 
       1052 1  42 GLY HA2  1  45 THR HA   5.500     . 5.500 5.459 5.413 5.503 0.003  6 0 "[    .    1    .    2]" 1 
       1053 1  45 THR HA   1  48 SER HA   5.500     . 5.500 5.519 5.506 5.528 0.028 14 0 "[    .    1    .    2]" 1 
       1054 1  39 ALA HA   1  80 VAL HA   5.150     . 5.150 4.210 4.012 4.391     .  0 0 "[    .    1    .    2]" 1 
       1055 1  27 VAL HA   1  70 PRO HD3  5.050     . 5.050 2.202 1.996 2.620     .  0 0 "[    .    1    .    2]" 1 
       1056 1  27 VAL HA   1  70 PRO HG3  4.670     . 4.670 4.281 3.133 4.661     .  0 0 "[    .    1    .    2]" 1 
       1057 1  80 VAL HA   1  83 LEU HG   5.500     . 5.500 4.820 4.368 5.238     .  0 0 "[    .    1    .    2]" 1 
       1058 1  27 VAL HA   1  69 ALA MB   5.050     . 5.050 3.730 3.503 4.060     .  0 0 "[    .    1    .    2]" 1 
       1059 1  42 GLY HA2  1  45 THR HB   4.640     . 4.640 2.874 2.755 3.041     .  0 0 "[    .    1    .    2]" 1 
       1060 1  42 GLY HA3  1  45 THR HB   4.730     . 4.730 4.456 4.350 4.741 0.011 19 0 "[    .    1    .    2]" 1 
       1061 1  45 THR HB   1  68 LEU MD2  4.460     . 4.460 3.494 2.770 4.257     .  0 0 "[    .    1    .    2]" 1 
       1062 1  37 THR HB   1  38 LEU MD2  4.850     . 4.850 4.297 4.034 4.613     .  0 0 "[    .    1    .    2]" 1 
       1063 1  11 GLU QB   1  14 THR HB   5.500     . 5.500 5.538 5.514 5.551 0.051 17 0 "[    .    1    .    2]" 1 
       1064 1  13 ILE HG13 1  13 ILE MG   3.680     . 3.680 2.499 2.283 3.197     .  0 0 "[    .    1    .    2]" 1 
       1065 1  60 VAL HA   1  60 VAL MG2  3.550     . 3.550 2.920 2.209 3.195     .  0 0 "[    .    1    .    2]" 1 
       1066 1  24 GLN HA   1  28 ALA MB   4.470     . 4.470 4.354 4.034 4.478 0.008 10 0 "[    .    1    .    2]" 1 
       1067 1  68 LEU MD2  1  80 VAL MG1  3.680     . 3.680 2.502 1.864 3.356     .  0 0 "[    .    1    .    2]" 1 
       1068 1  68 LEU MD1  1  80 VAL HA   5.320     . 5.320 4.598 4.326 5.323 0.003 15 0 "[    .    1    .    2]" 1 
       1069 1  57 LEU HA   1  57 LEU MD1  4.040     . 4.040 3.564 1.941 3.912     .  0 0 "[    .    1    .    2]" 1 
       1070 1  44 TYR H    1  83 LEU MD1  5.290     . 5.290 4.982 4.683 5.293 0.003 13 0 "[    .    1    .    2]" 1 
       1071 1  50 LEU MD1  1  66 PHE QD   4.870     . 4.870 3.506 3.006 4.245     .  0 0 "[    .    1    .    2]" 1 
       1072 1  46 ILE MG   1  50 LEU MD1  3.420     . 3.420 1.779 1.750 1.799 0.050 16 0 "[    .    1    .    2]" 1 
       1073 1  53 TYR QE   1  62 TYR QE   3.820     . 3.820 3.134 2.532 3.824 0.004 20 0 "[    .    1    .    2]" 1 
       1074 1  41 LEU HA   1  44 TYR QD   3.880     . 3.880 2.689 2.509 2.821     .  0 0 "[    .    1    .    2]" 1 
       1075 1  35 PHE HZ   1  76 LEU HA   3.860     . 3.860 2.519 2.147 2.729     .  0 0 "[    .    1    .    2]" 1 
       1076 1  35 PHE QE   1  76 LEU HA   3.680     . 3.680 2.801 2.474 3.144     .  0 0 "[    .    1    .    2]" 1 
       1077 1  17 TYR HA   1  17 TYR QD   3.340     . 3.340 2.352 1.976 3.055     .  0 0 "[    .    1    .    2]" 1 
       1078 1  35 PHE HA   1  35 PHE QD   3.740     . 3.740 3.075 2.799 3.160     .  0 0 "[    .    1    .    2]" 1 
       1079 1  16 TYR HA   1  16 TYR QD   3.520     . 3.520 2.102 2.037 2.187     .  0 0 "[    .    1    .    2]" 1 
       1080 1  17 TYR HA   1  17 TYR QE   4.570     . 4.570 4.348 4.225 4.547     .  0 0 "[    .    1    .    2]" 1 
       1081 1  84 HIS HA   1  87 TYR QD   4.020     . 4.020 2.543 2.066 2.997     .  0 0 "[    .    1    .    2]" 1 
       1082 1  35 PHE QD   1  36 ALA HA   3.690     . 3.690 2.710 2.543 3.168     .  0 0 "[    .    1    .    2]" 1 
       1083 1  63 VAL HA   1  66 PHE QD   3.500     . 3.500 2.434 2.164 2.768     .  0 0 "[    .    1    .    2]" 1 
       1084 1  19 CYS HA   1  99 PHE HZ   4.560     . 4.560 4.062 3.681 4.484     .  0 0 "[    .    1    .    2]" 1 
       1085 1 104 LYS HA   1 109 TYR QE   4.770     . 4.770 2.982 2.152 3.512     .  0 0 "[    .    1    .    2]" 1 
       1086 1  53 TYR QE   1  55 PRO HG3  3.990     . 3.990 2.652 1.981 3.375     .  0 0 "[    .    1    .    2]" 1 
       1087 1  53 TYR QE   1  55 PRO HB3  4.500     . 4.500 2.641 2.015 3.279     .  0 0 "[    .    1    .    2]" 1 
       1088 1  35 PHE HZ   1  79 LYS QB   4.490     . 4.490 2.748 2.528 2.973     .  0 0 "[    .    1    .    2]" 1 
       1089 1  22 LEU HG   1 109 TYR QE   4.970     . 4.970 4.437 3.421 4.977 0.007 14 0 "[    .    1    .    2]" 1 
       1090 1  87 TYR QD   1  90 MET ME   3.720     . 3.720 2.832 2.290 3.235     .  0 0 "[    .    1    .    2]" 1 
       1091 1  22 LEU HB3  1  99 PHE HZ   4.200     . 4.200 2.057 1.937 2.379     .  0 0 "[    .    1    .    2]" 1 
       1092 1 103 ALA MB   1 109 TYR QE   3.390     . 3.390 2.111 1.876 2.446     .  0 0 "[    .    1    .    2]" 1 
       1093 1  13 ILE MG   1  17 TYR QE   3.530     . 3.530 2.468 1.892 3.337     .  0 0 "[    .    1    .    2]" 1 
       1094 1  13 ILE MG   1  17 TYR QD   3.600     . 3.600 2.667 2.093 3.433     .  0 0 "[    .    1    .    2]" 1 
       1095 1  40 LEU MD2  1  44 TYR QD   3.820     . 3.820 2.008 1.955 2.261     .  0 0 "[    .    1    .    2]" 1 
       1096 1  40 LEU MD1  1  44 TYR QE   3.370     . 3.370 2.471 2.329 2.646     .  0 0 "[    .    1    .    2]" 1 
       1097 1  40 LEU MD2  1  44 TYR QE   3.760     . 3.760 1.981 1.930 2.061     .  0 0 "[    .    1    .    2]" 1 
       1098 1  26 ILE MD   1  99 PHE QE   3.840     . 3.840 2.735 2.481 3.072     .  0 0 "[    .    1    .    2]" 1 
       1099 1  26 ILE MD   1  99 PHE HZ   3.900     . 3.900 2.554 2.158 2.911     .  0 0 "[    .    1    .    2]" 1 
       1100 1  22 LEU MD2  1 109 TYR QE   4.060     . 4.060 3.586 2.581 4.068 0.008  9 0 "[    .    1    .    2]" 1 
       1101 1  50 LEU MD2  1  66 PHE QE   3.770     . 3.770 2.682 1.901 3.557     .  0 0 "[    .    1    .    2]" 1 
       1102 1  99 PHE QD   1 100 LEU MD2  3.750     . 3.750 2.305 2.019 2.780     .  0 0 "[    .    1    .    2]" 1 
       1103 1  99 PHE HZ   1 100 LEU MD2  5.030     . 5.030 5.041 5.035 5.046 0.016  4 0 "[    .    1    .    2]" 1 
       1104 1  18 LEU MD1  1 109 TYR QE   3.940     . 3.940 3.328 2.350 3.816     .  0 0 "[    .    1    .    2]" 1 
       1105 1  50 LEU MD1  1  66 PHE QE   3.860     . 3.860 2.336 1.882 2.987     .  0 0 "[    .    1    .    2]" 1 
       1106 1  50 LEU MD1  1  62 TYR QE   3.800 3.800 3.800 3.781 3.775 3.789 0.025 20 0 "[    .    1    .    2]" 1 
       1107 1  22 LEU MD1  1 109 TYR QE   4.060     . 4.060 2.542 1.989 3.563     .  0 0 "[    .    1    .    2]" 1 
       1108 1  16 TYR QE   1  20 LEU MD2  3.810     . 3.810 3.372 2.957 3.779     .  0 0 "[    .    1    .    2]" 1 
       1109 1  16 TYR QE   1  20 LEU MD1  3.680     . 3.680 2.915 2.601 3.129     .  0 0 "[    .    1    .    2]" 1 
       1110 1  35 PHE QD   1  76 LEU MD1  4.260     . 4.260 3.826 3.404 4.215     .  0 0 "[    .    1    .    2]" 1 
       1111 1  35 PHE HZ   1  76 LEU MD1  4.190     . 4.190 3.917 3.583 4.131     .  0 0 "[    .    1    .    2]" 1 
       1112 1  46 ILE MD   1  66 PHE QD   3.790     . 3.790 2.569 2.181 2.944     .  0 0 "[    .    1    .    2]" 1 
       1113 1  46 ILE MG   1  62 TYR QE   3.620     . 3.620 2.822 2.383 3.414     .  0 0 "[    .    1    .    2]" 1 
       1114 1  99 PHE HA   1  99 PHE QD   4.020     . 4.020 3.090 2.632 3.163     .  0 0 "[    .    1    .    2]" 1 
       1115 1  66 PHE HA   1  66 PHE QD   3.860     . 3.860 2.889 2.645 3.101     .  0 0 "[    .    1    .    2]" 1 
       1116 1  87 TYR HA   1  87 TYR QD   3.810     . 3.810 2.140 1.978 2.270     .  0 0 "[    .    1    .    2]" 1 
       1117 1 109 TYR HA   1 109 TYR QD   3.820     . 3.820 3.404 2.965 3.702     .  0 0 "[    .    1    .    2]" 1 
       1118 1  58 HIS HA   1  58 HIS HD2  3.530     . 3.530 2.935 2.151 3.537 0.007  7 0 "[    .    1    .    2]" 1 
       1119 1  44 TYR HA   1  44 TYR QD   4.030     . 4.030 2.084 1.957 2.229     .  0 0 "[    .    1    .    2]" 1 
       1120 1  44 TYR QD   1  95 ALA HA   3.860     . 3.860 3.105 2.834 3.767     .  0 0 "[    .    1    .    2]" 1 
       1121 1  53 TYR QE   1  55 PRO HA   4.200     . 4.200 3.243 2.013 4.031     .  0 0 "[    .    1    .    2]" 1 
       1122 1 103 ALA HA   1 109 TYR QE   4.770     . 4.770 4.225 3.793 4.628     .  0 0 "[    .    1    .    2]" 1 
       1123 1  35 PHE QD   1  36 ALA MB   3.930     . 3.930 3.365 3.262 3.521     .  0 0 "[    .    1    .    2]" 1 
       1124 1  35 PHE QE   1  75 GLU HB3  4.320     . 4.320 2.597 1.993 4.324 0.004 15 0 "[    .    1    .    2]" 1 
       1125 1  46 ILE MD   1  50 LEU MD1  4.000     . 4.000 2.614 2.393 2.897     .  0 0 "[    .    1    .    2]" 1 
       1126 1  46 ILE MG   1  63 VAL MG1  4.040     . 4.040 3.728 3.444 4.045 0.005 20 0 "[    .    1    .    2]" 1 
       1127 1  38 LEU HA   1  76 LEU MD1  4.070     . 4.070 4.088 4.075 4.098 0.028 16 0 "[    .    1    .    2]" 1 
       1128 1  41 LEU MD2  1 103 ALA MB   3.820     . 3.820 3.248 2.814 3.586     .  0 0 "[    .    1    .    2]" 1 
       1129 1  40 LEU MD2  1  41 LEU MD2  3.330     . 3.330 2.387 2.111 2.577     .  0 0 "[    .    1    .    2]" 1 
       1130 1  63 VAL MG2  1  68 LEU MD1  4.500     . 4.500 3.507 3.199 3.809     .  0 0 "[    .    1    .    2]" 1 
       1131 1  63 VAL MG1  1  80 VAL HB   3.820     . 3.820 2.749 2.243 3.430     .  0 0 "[    .    1    .    2]" 1 
       1132 1  45 THR HA   1  45 THR MG   3.580     . 3.580 2.451 2.273 3.159     .  0 0 "[    .    1    .    2]" 1 
       1133 1  31 LEU MD2  1  32 PRO QD   3.370     . 3.370 2.296 1.828 3.372 0.002 20 0 "[    .    1    .    2]" 1 
       1134 1  39 ALA HA   1  76 LEU MD1  3.610     . 3.610 2.041 1.890 2.279     .  0 0 "[    .    1    .    2]" 1 
       1135 1  63 VAL HA   1  63 VAL MG2  3.720     . 3.720 2.465 2.398 2.521     .  0 0 "[    .    1    .    2]" 1 
       1136 1  41 LEU MD2  1 106 LEU MD1  4.000     . 4.000 3.954 3.701 4.008 0.008 16 0 "[    .    1    .    2]" 1 
       1137 1  63 VAL HA   1  63 VAL MG1  3.650     . 3.650 2.284 2.160 2.356     .  0 0 "[    .    1    .    2]" 1 
       1138 1  43 SER HA   1  80 VAL MG1  3.620     . 3.620 2.244 1.886 2.510     .  0 0 "[    .    1    .    2]" 1 
       1139 1  85 LYS HA   1  85 LYS HG3  4.030     . 4.030 2.838 2.339 3.371     .  0 0 "[    .    1    .    2]" 1 
       1140 1  26 ILE MG   1  27 VAL HA   3.970     . 3.970 3.437 3.256 3.639     .  0 0 "[    .    1    .    2]" 1 
       1141 1  27 VAL HA   1  27 VAL MG1  2.990     . 2.990 2.342 2.196 2.406     .  0 0 "[    .    1    .    2]" 1 
       1142 1  66 PHE HB2  1  68 LEU MD2  4.700     . 4.700 2.944 2.348 3.341     .  0 0 "[    .    1    .    2]" 1 
       1143 1  77 GLU HA   1  80 VAL HB   4.090     . 4.090 3.025 2.932 3.146     .  0 0 "[    .    1    .    2]" 1 
       1144 1  85 LYS HA   1  85 LYS HG2  4.030     . 4.030 2.765 2.443 3.208     .  0 0 "[    .    1    .    2]" 1 
       1145 1  80 VAL HA   1  80 VAL MG2  3.520     . 3.520 2.388 2.365 2.416     .  0 0 "[    .    1    .    2]" 1 
       1146 1  16 TYR QD   1  17 TYR QD   4.240     . 4.240 3.471 2.550 4.222     .  0 0 "[    .    1    .    2]" 1 
       1147 1  41 LEU HA   1  99 PHE QD   4.230     . 4.230 2.368 2.260 2.541     .  0 0 "[    .    1    .    2]" 1 
       1148 1  22 LEU HA   1  99 PHE HZ   5.500     . 5.500 4.669 4.374 5.125     .  0 0 "[    .    1    .    2]" 1 
       1149 1  30 ARG HA   1  30 ARG HE   5.500     . 5.500 4.254 2.637 5.251     .  0 0 "[    .    1    .    2]" 1 
       1150 1  64 SER HB3  1  65 ASP H    4.730     . 4.730 3.690 3.278 4.349     .  0 0 "[    .    1    .    2]" 1 
       1151 1  99 PHE QD   1 100 LEU HA   4.850     . 4.850 2.819 2.645 3.636     .  0 0 "[    .    1    .    2]" 1 
       1152 1  47 GLN QG   1  87 TYR QD   4.330     . 4.330 3.529 1.975 4.332 0.002 12 0 "[    .    1    .    2]" 1 
       1153 1  41 LEU HA   1  44 TYR QE   5.330     . 5.330 4.704 4.545 4.878     .  0 0 "[    .    1    .    2]" 1 
       1154 1  43 SER HB3  1  87 TYR QE   4.330     . 4.330 3.111 2.376 4.339 0.009  4 0 "[    .    1    .    2]" 1 
       1155 1  44 TYR QE   1  95 ALA HA   4.490     . 4.490 4.109 3.901 4.492 0.002 20 0 "[    .    1    .    2]" 1 
       1156 1  84 HIS HA   1  87 TYR QE   4.250     . 4.250 3.509 2.524 4.122     .  0 0 "[    .    1    .    2]" 1 
       1157 1  43 SER HA   1  87 TYR QE   5.070     . 5.070 4.846 4.391 5.082 0.012 13 0 "[    .    1    .    2]" 1 
       1158 1  40 LEU HA   1  44 TYR QE   4.810     . 4.810 4.391 4.210 4.596     .  0 0 "[    .    1    .    2]" 1 
       1159 1  43 SER HB2  1  87 TYR QE   4.330     . 4.330 3.490 2.687 4.340 0.010  8 0 "[    .    1    .    2]" 1 
       1160 1  44 TYR QE   1  98 GLU HG2  4.990     . 4.990 3.923 3.205 4.180     .  0 0 "[    .    1    .    2]" 1 
       1161 1  87 TYR QE   1  90 MET ME   4.820     . 4.820 3.377 2.633 4.084     .  0 0 "[    .    1    .    2]" 1 
       1162 1  35 PHE QE   1  75 GLU HB2  4.320     . 4.320 2.734 2.144 3.688     .  0 0 "[    .    1    .    2]" 1 
       1163 1  22 LEU HB2  1  99 PHE HZ   4.200     . 4.200 3.078 2.347 3.700     .  0 0 "[    .    1    .    2]" 1 
       1164 1  99 PHE QD   1 100 LEU HG   4.090     . 4.090 3.042 2.513 3.276     .  0 0 "[    .    1    .    2]" 1 
       1165 1  47 GLN QB   1  87 TYR QD   4.210     . 4.210 3.388 3.019 3.952     .  0 0 "[    .    1    .    2]" 1 
       1166 1  16 TYR QD   1  20 LEU MD1  4.150     . 4.150 3.299 3.011 3.576     .  0 0 "[    .    1    .    2]" 1 
       1167 1  18 LEU MD2  1 109 TYR QE   4.340     . 4.340 2.083 1.811 2.684     .  0 0 "[    .    1    .    2]" 1 
       1168 1  63 VAL MG1  1  66 PHE QD   4.320     . 4.320 3.557 2.863 4.102     .  0 0 "[    .    1    .    2]" 1 
       1169 1  41 LEU MD1  1  99 PHE HZ   4.840     . 4.840 4.166 3.838 4.499     .  0 0 "[    .    1    .    2]" 1 
       1170 1  41 LEU MD2  1  99 PHE QD   4.090     . 4.090 2.080 1.861 2.416     .  0 0 "[    .    1    .    2]" 1 
       1171 1  41 LEU MD2  1  99 PHE HZ   4.320     . 4.320 3.991 3.706 4.322 0.002 15 0 "[    .    1    .    2]" 1 
       1172 1  41 LEU MD2  1  44 TYR QD   4.110     . 4.110 3.485 3.147 3.807     .  0 0 "[    .    1    .    2]" 1 
       1173 1  41 LEU MD2  1  99 PHE QE   4.170     . 4.170 2.623 2.104 3.161     .  0 0 "[    .    1    .    2]" 1 
       1174 1  62 TYR QE   1  63 VAL MG2  4.200     . 4.200 2.346 1.979 2.607     .  0 0 "[    .    1    .    2]" 1 
       1175 1  83 LEU MD2  1  87 TYR QE   4.310     . 4.310 3.404 2.946 3.835     .  0 0 "[    .    1    .    2]" 1 
       1176 1  44 TYR QD   1  95 ALA MB   4.080     . 4.080 3.052 2.824 3.228     .  0 0 "[    .    1    .    2]" 1 
       1177 1  22 LEU HG   1  99 PHE HZ   5.410     . 5.410 4.723 3.469 5.113     .  0 0 "[    .    1    .    2]" 1 
       1178 1  46 ILE MD   1  66 PHE QE   4.190     . 4.190 3.454 3.194 3.820     .  0 0 "[    .    1    .    2]" 1 
       1179 1  20 LEU HA   1  20 LEU MD2  3.590     . 3.590 2.103 1.939 2.381     .  0 0 "[    .    1    .    2]" 1 
       1180 1  20 LEU HA   1  20 LEU MD1  3.890     . 3.890 3.843 3.789 3.884     .  0 0 "[    .    1    .    2]" 1 
       1181 1  18 LEU HA   1  18 LEU MD1  3.280     . 3.280 1.950 1.930 2.076     .  0 0 "[    .    1    .    2]" 1 
       1182 1  57 LEU HA   1  57 LEU MD2  3.140     . 3.140 2.184 1.958 2.847     .  0 0 "[    .    1    .    2]" 1 
       1183 1  31 LEU MD1  1 108 MET HA   3.650     . 3.650 2.689 2.122 3.354     .  0 0 "[    .    1    .    2]" 1 
       1184 1  22 LEU HA   1  26 ILE MD   3.770     . 3.770 3.589 3.266 3.775 0.005  1 0 "[    .    1    .    2]" 1 
       1185 1 103 ALA HA   1 106 LEU MD1  4.050     . 4.050 3.352 2.524 4.065 0.015 13 0 "[    .    1    .    2]" 1 
       1186 1  22 LEU HA   1  22 LEU MD2  4.780     . 4.780 2.359 1.950 3.431     .  0 0 "[    .    1    .    2]" 1 
       1187 1  46 ILE MG   1  63 VAL MG2  4.210     . 4.210 3.194 2.935 3.426     .  0 0 "[    .    1    .    2]" 1 
       1188 1  63 VAL MG2  1  77 GLU HA   4.270     . 4.270 3.966 3.560 4.278 0.008  4 0 "[    .    1    .    2]" 1 
       1189 1  72 GLN HG2  1  76 LEU MD2  4.110     . 4.110 3.562 3.370 3.753     .  0 0 "[    .    1    .    2]" 1 
       1190 1  80 VAL HA   1  83 LEU MD1  4.070     . 4.070 3.143 2.763 3.538     .  0 0 "[    .    1    .    2]" 1 
       1191 1  50 LEU HA   1  50 LEU MD1  4.050     . 4.050 3.808 3.705 3.882     .  0 0 "[    .    1    .    2]" 1 
       1192 1  68 LEU HA   1  68 LEU MD1  4.240     . 4.240 3.981 3.766 4.017     .  0 0 "[    .    1    .    2]" 1 
       1193 1  50 LEU MD1  1  62 TYR QD   4.710     . 4.710 3.677 3.296 4.203     .  0 0 "[    .    1    .    2]" 1 
       1194 1  16 TYR HA   1  16 TYR QE   4.360     . 4.360 4.355 4.310 4.381 0.021  5 0 "[    .    1    .    2]" 1 
       1195 1  46 ILE HA   1  49 GLU HB2  4.860     . 4.860 2.387 2.298 2.493     .  0 0 "[    .    1    .    2]" 1 
       1196 1  33 CYS HB2  1  37 THR MG   4.310     . 4.310 4.268 3.371 4.324 0.014  7 0 "[    .    1    .    2]" 1 
       1197 1  33 CYS HB3  1  37 THR MG   4.310     . 4.310 3.128 2.868 3.999     .  0 0 "[    .    1    .    2]" 1 
       1198 1  16 TYR QE   1  17 TYR QE   4.300     . 4.300 3.944 3.721 4.201     .  0 0 "[    .    1    .    2]" 1 
       1199 1  53 TYR QD   1  62 TYR QE   4.440     . 4.440 4.158 3.618 4.442 0.002 11 0 "[    .    1    .    2]" 1 
       1200 1  53 TYR HA   1  53 TYR QD   3.860     . 3.860 2.755 2.333 3.056     .  0 0 "[    .    1    .    2]" 1 
       1201 1  41 LEU HA   1  41 LEU MD1  4.010     . 4.010 3.920 3.879 3.963     .  0 0 "[    .    1    .    2]" 1 
       1202 1  53 TYR QD   1  84 HIS HD2  4.240     . 4.240 3.814 2.796 4.243 0.003 13 0 "[    .    1    .    2]" 1 
       1203 1  16 TYR QE   1  17 TYR QD   4.700     . 4.700 4.654 4.507 4.703 0.003  2 0 "[    .    1    .    2]" 1 
       1204 1  46 ILE MD   1  62 TYR QE   4.390     . 4.390 4.245 3.804 4.402 0.012 18 0 "[    .    1    .    2]" 1 
       1205 1  76 LEU MD1  1  77 GLU HA   5.020     . 5.020 4.458 4.289 4.646     .  0 0 "[    .    1    .    2]" 1 
       1206 1  62 TYR QE   1  63 VAL MG1  4.560     . 4.560 4.395 4.124 4.576 0.016 12 0 "[    .    1    .    2]" 1 
       1207 1  13 ILE MG   1  16 TYR QD   5.270     . 5.270 4.309 3.592 4.623     .  0 0 "[    .    1    .    2]" 1 
       1208 1  31 LEU H    1  31 LEU MD1  5.500     . 5.500 4.615 4.383 4.725     .  0 0 "[    .    1    .    2]" 1 
       1209 1  13 ILE MD   1  16 TYR QD   5.280     . 5.280 4.595 4.274 5.298 0.018 13 0 "[    .    1    .    2]" 1 
       1210 1  50 LEU MD2  1  62 TYR QE   4.690     . 4.690 4.709 4.697 4.717 0.027  1 0 "[    .    1    .    2]" 1 
       1211 1  53 TYR HA   1  53 TYR QE   4.600     . 4.600 4.551 4.455 4.610 0.010 20 0 "[    .    1    .    2]" 1 
       1212 1  44 TYR QD   1  99 PHE QD   4.410     . 4.410 4.169 3.651 4.416 0.006 20 0 "[    .    1    .    2]" 1 
       1213 1  84 HIS HD2  1  87 TYR QD   4.510     . 4.510 4.166 3.639 4.517 0.007 19 0 "[    .    1    .    2]" 1 
       1214 1  88 ARG HA   1  88 ARG QD   4.300     . 4.300 3.655 2.217 4.210     .  0 0 "[    .    1    .    2]" 1 
       1215 1  43 SER HA   1  80 VAL HA   4.540     . 4.540 3.295 3.086 3.629     .  0 0 "[    .    1    .    2]" 1 
       1216 1  63 VAL HB   1  80 VAL MG1  4.170     . 4.170 4.006 3.760 4.175 0.005 10 0 "[    .    1    .    2]" 1 
       1217 1  12 ASP QB   1  13 ILE MD   4.620     . 4.620 3.459 2.984 4.587     .  0 0 "[    .    1    .    2]" 1 
       1218 1  93 ALA MB   1  94 GLN QG   5.180     . 5.180 4.200 3.181 4.828     .  0 0 "[    .    1    .    2]" 1 
       1219 1  90 MET HG2  1  95 ALA MB   4.760     . 4.760 3.601 3.165 4.280     .  0 0 "[    .    1    .    2]" 1 
       1220 1  63 VAL MG1  1  77 GLU HA   4.000     . 4.000 3.250 2.479 4.000 0.000 18 0 "[    .    1    .    2]" 1 
       1221 1  20 LEU HA   1  20 LEU HG   4.140     . 4.140 2.912 2.780 3.087     .  0 0 "[    .    1    .    2]" 1 
       1222 1  90 MET HG3  1  95 ALA MB   4.760     . 4.760 4.674 4.051 4.769 0.009  7 0 "[    .    1    .    2]" 1 
       1223 1  41 LEU MD1  1 102 ASN HB3  4.770     . 4.770 3.881 3.255 4.233     .  0 0 "[    .    1    .    2]" 1 
       1224 1  69 ALA HA   1  70 PRO HG3  5.040     . 5.040 4.592 3.922 4.694     .  0 0 "[    .    1    .    2]" 1 
       1225 1  87 TYR HA   1  87 TYR QE   4.450     . 4.450 4.377 4.202 4.484 0.034  4 0 "[    .    1    .    2]" 1 
       1226 1  13 ILE HA   1  16 TYR QD   4.380     . 4.380 4.159 3.669 4.381 0.001  2 0 "[    .    1    .    2]" 1 
       1227 1  53 TYR QD   1  85 LYS HA   4.370     . 4.370 3.684 3.010 4.375 0.005 19 0 "[    .    1    .    2]" 1 
       1228 1 104 LYS HA   1 109 TYR QD   4.440     . 4.440 3.635 2.094 4.448 0.008 10 0 "[    .    1    .    2]" 1 
       1229 1  49 GLU HG2  1  66 PHE QE   5.070     . 5.070 3.444 2.170 4.343     .  0 0 "[    .    1    .    2]" 1 
       1230 1  49 GLU HG3  1  66 PHE QE   5.070     . 5.070 3.334 2.208 4.970     .  0 0 "[    .    1    .    2]" 1 
       1231 1  41 LEU MD1  1  99 PHE QE   4.710     . 4.710 2.721 2.299 3.106     .  0 0 "[    .    1    .    2]" 1 
       1232 1  41 LEU MD1  1  99 PHE QD   5.010     . 5.010 3.740 3.455 4.008     .  0 0 "[    .    1    .    2]" 1 
       1233 1  35 PHE QE   1  75 GLU HG3  4.670     . 4.670 4.129 1.989 4.674 0.004 11 0 "[    .    1    .    2]" 1 
       1234 1  35 PHE QE   1  75 GLU HG2  4.670     . 4.670 4.436 3.712 4.678 0.008 19 0 "[    .    1    .    2]" 1 
       1235 1  44 TYR QE   1  98 GLU HG3  4.990     . 4.990 2.842 2.126 4.881     .  0 0 "[    .    1    .    2]" 1 
       1236 1  44 TYR QE   1  95 ALA MB   4.550     . 4.550 4.530 4.305 4.562 0.012 13 0 "[    .    1    .    2]" 1 
       1237 1  41 LEU MD2  1  44 TYR QE   5.090     . 5.090 4.634 4.247 5.025     .  0 0 "[    .    1    .    2]" 1 
       1238 1  53 TYR HA   1  84 HIS HD2  4.270     . 4.270 4.204 3.834 4.275 0.005 19 0 "[    .    1    .    2]" 1 
       1239 1  63 VAL MG2  1  66 PHE QD   4.860     . 4.860 4.194 3.879 4.514     .  0 0 "[    .    1    .    2]" 1 
       1240 1   4 MET QB   1   5 ASP H    4.140     . 4.140 3.034 2.201 3.726     .  0 0 "[    .    1    .    2]" 1 
       1241 1   5 ASP H    1   5 ASP QB   3.190     . 3.190 2.353 2.055 2.664     .  0 0 "[    .    1    .    2]" 1 
       1242 1   5 ASP QB   1   7 ALA H    4.370     . 4.370 2.886 2.346 3.544     .  0 0 "[    .    1    .    2]" 1 
       1243 1   5 ASP QB   1   8 GLN H    4.330     . 4.330 2.906 1.984 3.866     .  0 0 "[    .    1    .    2]" 1 
       1244 1   6 PRO QB   1   7 ALA H    3.950     . 3.950 3.485 3.270 3.685     .  0 0 "[    .    1    .    2]" 1 
       1245 1   8 GLN H    1   8 GLN QB   3.400     . 3.400 2.806 2.214 3.390     .  0 0 "[    .    1    .    2]" 1 
       1246 1   9 LEU H    1   9 LEU QB   3.620     . 3.620 2.600 2.075 2.912     .  0 0 "[    .    1    .    2]" 1 
       1247 1  12 ASP H    1  13 ILE QG   5.340     . 5.340 4.054 3.927 4.363     .  0 0 "[    .    1    .    2]" 1 
       1248 1  12 ASP HA   1  15 ARG QB   4.420     . 4.420 3.025 2.808 3.545     .  0 0 "[    .    1    .    2]" 1 
       1249 1  12 ASP HA   1  15 ARG QD   4.780     . 4.780 4.145 3.683 4.768     .  0 0 "[    .    1    .    2]" 1 
       1250 1  13 ILE HA   1  13 ILE QG   3.740     . 3.740 2.834 2.269 3.020     .  0 0 "[    .    1    .    2]" 1 
       1251 1  13 ILE HA   1  16 TYR QB   3.900     . 3.900 3.034 2.677 3.226     .  0 0 "[    .    1    .    2]" 1 
       1252 1  14 THR HA   1  17 TYR QB   5.050     . 5.050 2.925 2.713 3.061     .  0 0 "[    .    1    .    2]" 1 
       1253 1  14 THR HB   1  15 ARG QB   5.340     . 5.340 5.375 5.358 5.414 0.074 18 0 "[    .    1    .    2]" 1 
       1254 1  15 ARG HA   1  18 LEU QB   4.270     . 4.270 2.395 2.222 2.512     .  0 0 "[    .    1    .    2]" 1 
       1255 1  15 ARG QB   1  16 TYR H    3.980     . 3.980 2.489 2.334 3.487     .  0 0 "[    .    1    .    2]" 1 
       1256 1  15 ARG QD   1 100 LEU MD1  4.820     . 4.820 2.355 1.843 3.423     .  0 0 "[    .    1    .    2]" 1 
       1257 1  16 TYR QB   1  17 TYR H    3.340     . 3.340 2.272 2.196 2.340     .  0 0 "[    .    1    .    2]" 1 
       1258 1  16 TYR QB   1  20 LEU MD1  4.640     . 4.640 4.046 3.606 4.450     .  0 0 "[    .    1    .    2]" 1 
       1259 1  17 TYR H    1  17 TYR QB   3.320     . 3.320 2.296 2.176 2.387     .  0 0 "[    .    1    .    2]" 1 
       1260 1  17 TYR QB   1  18 LEU H    3.730     . 3.730 2.810 2.541 2.918     .  0 0 "[    .    1    .    2]" 1 
       1261 1  18 LEU H    1  18 LEU QB   3.240     . 3.240 2.081 2.039 2.124     .  0 0 "[    .    1    .    2]" 1 
       1262 1  18 LEU HA   1  21 GLN QB   4.090     . 4.090 2.954 2.678 4.005     .  0 0 "[    .    1    .    2]" 1 
       1263 1  18 LEU QB   1  19 CYS H    3.400     . 3.400 2.273 2.264 2.328     .  0 0 "[    .    1    .    2]" 1 
       1264 1  18 LEU HG   1  22 LEU QD   4.410     . 4.410 2.771 2.101 3.201     .  0 0 "[    .    1    .    2]" 1 
       1265 1  18 LEU MD1  1  21 GLN QB   4.460     . 4.460 3.634 3.288 4.413     .  0 0 "[    .    1    .    2]" 1 
       1266 1  18 LEU MD2  1  22 LEU QD   3.520     . 3.520 3.383 2.988 3.527 0.007  9 0 "[    .    1    .    2]" 1 
       1267 1  19 CYS H    1  19 CYS QB   3.450     . 3.450 2.278 2.045 2.566     .  0 0 "[    .    1    .    2]" 1 
       1268 1  19 CYS HA   1  22 LEU QB   4.750     . 4.750 2.584 2.477 2.817     .  0 0 "[    .    1    .    2]" 1 
       1269 1  19 CYS HA   1  22 LEU QD   3.490     . 3.490 3.071 2.659 3.444     .  0 0 "[    .    1    .    2]" 1 
       1270 1  19 CYS QB   1  20 LEU H    3.990     . 3.990 2.603 2.482 2.713     .  0 0 "[    .    1    .    2]" 1 
       1271 1  21 GLN H    1  21 GLN QB   3.090     . 3.090 2.168 2.048 2.575     .  0 0 "[    .    1    .    2]" 1 
       1272 1  21 GLN H    1  21 GLN QG   3.910     . 3.910 3.122 2.121 3.838     .  0 0 "[    .    1    .    2]" 1 
       1273 1  21 GLN H    1  22 LEU QD   5.440     . 5.440 4.963 3.587 5.353     .  0 0 "[    .    1    .    2]" 1 
       1274 1  21 GLN HA   1  21 GLN QG   3.620     . 3.620 2.250 2.010 3.342     .  0 0 "[    .    1    .    2]" 1 
       1275 1  21 GLN HA   1  24 GLN QB   4.010     . 4.010 2.813 2.325 3.841     .  0 0 "[    .    1    .    2]" 1 
       1276 1  21 GLN HA   1  24 GLN QG   4.580     . 4.580 2.974 1.869 3.782     .  0 0 "[    .    1    .    2]" 1 
       1277 1  21 GLN QB   1  22 LEU H    3.560     . 3.560 2.594 2.411 3.433     .  0 0 "[    .    1    .    2]" 1 
       1278 1  21 GLN QB   1  22 LEU HA   4.490     . 4.490 3.812 3.711 4.302     .  0 0 "[    .    1    .    2]" 1 
       1279 1  22 LEU H    1  22 LEU QB   3.650     . 3.650 2.137 2.048 2.280     .  0 0 "[    .    1    .    2]" 1 
       1280 1  22 LEU HA   1  22 LEU QD   3.460     . 3.460 2.269 1.944 2.983     .  0 0 "[    .    1    .    2]" 1 
       1281 1  22 LEU HA   1  25 ASP QB   4.250     . 4.250 2.977 2.789 3.152     .  0 0 "[    .    1    .    2]" 1 
       1282 1  22 LEU QB   1  22 LEU QD   2.840     . 2.840 1.885 1.796 2.045 0.004 15 0 "[    .    1    .    2]" 1 
       1283 1  22 LEU QB   1  23 ARG H    3.840     . 3.840 2.619 2.459 2.755     .  0 0 "[    .    1    .    2]" 1 
       1284 1  22 LEU QB   1  26 ILE MD   4.410     . 4.410 2.439 2.190 2.666     .  0 0 "[    .    1    .    2]" 1 
       1285 1  22 LEU QB   1  99 PHE QE   5.020     . 5.020 2.689 2.398 3.078     .  0 0 "[    .    1    .    2]" 1 
       1286 1  22 LEU QB   1  99 PHE HZ   3.610     . 3.610 2.023 1.876 2.345     .  0 0 "[    .    1    .    2]" 1 
       1287 1  22 LEU QB   1 100 LEU MD2  5.340     . 5.340 4.463 4.243 4.789     .  0 0 "[    .    1    .    2]" 1 
       1288 1  22 LEU QD   1  23 ARG H    4.850     . 4.850 4.023 3.768 4.168     .  0 0 "[    .    1    .    2]" 1 
       1289 1  22 LEU QD   1  99 PHE QE   4.100     . 4.100 2.097 1.901 2.874     .  0 0 "[    .    1    .    2]" 1 
       1290 1  22 LEU QD   1  99 PHE HZ   4.130     . 4.130 2.816 2.211 3.622     .  0 0 "[    .    1    .    2]" 1 
       1291 1  22 LEU QD   1 100 LEU HA   4.730     . 4.730 3.880 3.676 4.710     .  0 0 "[    .    1    .    2]" 1 
       1292 1  22 LEU QD   1 100 LEU MD2  3.260     . 3.260 3.036 2.760 3.278 0.018 12 0 "[    .    1    .    2]" 1 
       1293 1  22 LEU QD   1 104 LYS H    5.440     . 5.440 4.637 4.409 5.390     .  0 0 "[    .    1    .    2]" 1 
       1294 1  22 LEU QD   1 108 MET QG   4.940     . 4.940 2.963 1.926 3.766     .  0 0 "[    .    1    .    2]" 1 
       1295 1  22 LEU QD   1 108 MET ME   3.230     . 3.230 2.558 2.016 2.992     .  0 0 "[    .    1    .    2]" 1 
       1296 1  22 LEU QD   1 109 TYR QB   4.350     . 4.350 3.501 2.734 4.363 0.013 20 0 "[    .    1    .    2]" 1 
       1297 1  22 LEU QD   1 109 TYR QD   3.920     . 3.920 2.643 1.960 3.298     .  0 0 "[    .    1    .    2]" 1 
       1298 1  23 ARG H    1  23 ARG QB   3.500     . 3.500 2.142 2.044 2.247     .  0 0 "[    .    1    .    2]" 1 
       1299 1  23 ARG H    1  23 ARG QG   4.100     . 4.100 3.729 3.260 4.003     .  0 0 "[    .    1    .    2]" 1 
       1300 1  23 ARG QB   1  23 ARG HE   4.470     . 4.470 3.337 1.980 4.376     .  0 0 "[    .    1    .    2]" 1 
       1301 1  23 ARG QD   1  27 VAL MG1  3.990     . 3.990 2.684 1.840 3.771     .  0 0 "[    .    1    .    2]" 1 
       1302 1  23 ARG QD   1  27 VAL MG2  5.340     . 5.340 3.859 3.083 5.162     .  0 0 "[    .    1    .    2]" 1 
       1303 1  24 GLN H    1  24 GLN QB   3.250     . 3.250 2.266 2.056 2.669     .  0 0 "[    .    1    .    2]" 1 
       1304 1  24 GLN H    1  24 GLN QG   3.500     . 3.500 2.753 1.907 3.441     .  0 0 "[    .    1    .    2]" 1 
       1305 1  24 GLN QB   1  25 ASP H    4.100     . 4.100 2.917 2.588 3.458     .  0 0 "[    .    1    .    2]" 1 
       1306 1  24 GLN QG   1  25 ASP H    4.830     . 4.830 3.692 2.040 4.498     .  0 0 "[    .    1    .    2]" 1 
       1307 1  24 GLN QG   1  27 VAL MG2  4.530     . 4.530 3.720 3.141 4.417     .  0 0 "[    .    1    .    2]" 1 
       1308 1  25 ASP H    1  25 ASP QB   3.290     . 3.290 2.277 2.128 2.456     .  0 0 "[    .    1    .    2]" 1 
       1309 1  25 ASP HA   1  30 ARG QB   4.310     . 4.310 2.758 2.525 3.073     .  0 0 "[    .    1    .    2]" 1 
       1310 1  25 ASP QB   1  26 ILE H    3.820     . 3.820 2.627 2.437 2.792     .  0 0 "[    .    1    .    2]" 1 
       1311 1  25 ASP QB   1  31 LEU H    4.920     . 4.920 4.687 4.368 4.903     .  0 0 "[    .    1    .    2]" 1 
       1312 1  25 ASP QB   1  31 LEU QB   4.960     . 4.960 3.405 3.126 3.671     .  0 0 "[    .    1    .    2]" 1 
       1313 1  25 ASP QB   1  31 LEU MD1  3.810     . 3.810 3.567 2.725 3.816 0.006  1 0 "[    .    1    .    2]" 1 
       1314 1  26 ILE HA   1  31 LEU QB   5.250     . 5.250 3.519 2.870 3.868     .  0 0 "[    .    1    .    2]" 1 
       1315 1  26 ILE MG   1  70 PRO QD   4.040     . 4.040 3.680 3.412 3.873     .  0 0 "[    .    1    .    2]" 1 
       1316 1  27 VAL HA   1  70 PRO QD   4.200     . 4.200 2.182 1.982 2.598     .  0 0 "[    .    1    .    2]" 1 
       1317 1  27 VAL MG1  1  67 LYS QB   3.690     . 3.690 2.394 1.966 2.734     .  0 0 "[    .    1    .    2]" 1 
       1318 1  28 ALA MB   1  30 ARG QD   4.240     . 4.240 3.311 2.142 4.242 0.002 18 0 "[    .    1    .    2]" 1 
       1319 1  29 GLY H    1  70 PRO QB   5.040     . 5.040 4.238 3.861 4.851     .  0 0 "[    .    1    .    2]" 1 
       1320 1  30 ARG H    1  30 ARG QB   3.410     . 3.410 2.276 2.109 2.512     .  0 0 "[    .    1    .    2]" 1 
       1321 1  30 ARG HA   1  30 ARG QG   3.680     . 3.680 2.333 2.052 2.862     .  0 0 "[    .    1    .    2]" 1 
       1322 1  30 ARG HA   1  30 ARG QD   4.910     . 4.910 3.179 1.969 4.085     .  0 0 "[    .    1    .    2]" 1 
       1323 1  30 ARG QB   1  31 LEU H    3.850     . 3.850 3.463 3.405 3.525     .  0 0 "[    .    1    .    2]" 1 
       1324 1  31 LEU H    1  31 LEU QB   3.490     . 3.490 2.758 2.624 2.808     .  0 0 "[    .    1    .    2]" 1 
       1325 1  31 LEU HA   1  32 PRO QG   4.590     . 4.590 3.897 3.831 3.948     .  0 0 "[    .    1    .    2]" 1 
       1326 1  31 LEU QB   1  31 LEU MD1  3.270     . 3.270 2.016 1.933 2.092     .  0 0 "[    .    1    .    2]" 1 
       1327 1  31 LEU QB   1  32 PRO QD   4.380     . 4.380 3.379 2.639 3.722     .  0 0 "[    .    1    .    2]" 1 
       1328 1  31 LEU QB   1 108 MET ME   3.570     . 3.570 2.968 2.638 3.294     .  0 0 "[    .    1    .    2]" 1 
       1329 1  31 LEU MD1  1 108 MET QB   4.200     . 4.200 2.675 1.815 3.718     .  0 0 "[    .    1    .    2]" 1 
       1330 1  31 LEU MD1  1 108 MET QG   4.450     . 4.450 3.463 2.678 4.077     .  0 0 "[    .    1    .    2]" 1 
       1331 1  31 LEU MD2  1 108 MET QG   4.290     . 4.290 3.610 2.540 4.242     .  0 0 "[    .    1    .    2]" 1 
       1332 1  32 PRO QB   1  33 CYS H    3.580     . 3.580 3.373 3.260 3.458     .  0 0 "[    .    1    .    2]" 1 
       1333 1  33 CYS QB   1  34 SER H    4.130     . 4.130 2.469 2.290 3.238     .  0 0 "[    .    1    .    2]" 1 
       1334 1  33 CYS QB   1  37 THR HB   4.150     . 4.150 3.016 2.746 3.523     .  0 0 "[    .    1    .    2]" 1 
       1335 1  33 CYS QB   1  37 THR MG   3.760     . 3.760 3.021 2.829 3.503     .  0 0 "[    .    1    .    2]" 1 
       1336 1  33 CYS QB   1  38 LEU H    4.200     . 4.200 3.916 3.546 4.104     .  0 0 "[    .    1    .    2]" 1 
       1337 1  33 CYS QB   1  38 LEU MD2  3.980     . 3.980 2.566 2.106 2.896     .  0 0 "[    .    1    .    2]" 1 
       1338 1  34 SER QB   1  35 PHE H    3.770     . 3.770 2.728 2.385 3.303     .  0 0 "[    .    1    .    2]" 1 
       1339 1  34 SER QB   1  36 ALA H    4.440     . 4.440 2.960 2.751 3.524     .  0 0 "[    .    1    .    2]" 1 
       1340 1  34 SER QB   1  37 THR H    4.860     . 4.860 2.869 2.534 3.607     .  0 0 "[    .    1    .    2]" 1 
       1341 1  35 PHE H    1  35 PHE QB   3.460     . 3.460 2.242 2.236 2.247     .  0 0 "[    .    1    .    2]" 1 
       1342 1  35 PHE HA   1  38 LEU QB   4.740     . 4.740 2.447 2.334 2.561     .  0 0 "[    .    1    .    2]" 1 
       1343 1  35 PHE QB   1  36 ALA H    3.350     . 3.350 2.450 2.375 2.527     .  0 0 "[    .    1    .    2]" 1 
       1344 1  35 PHE QD   1  38 LEU QB   5.340     . 5.340 4.301 4.110 4.452     .  0 0 "[    .    1    .    2]" 1 
       1345 1  35 PHE QD   1  75 GLU QB   5.310     . 5.310 3.953 3.685 4.633     .  0 0 "[    .    1    .    2]" 1 
       1346 1  35 PHE QD   1  76 LEU QB   4.700     . 4.700 3.383 3.076 3.627     .  0 0 "[    .    1    .    2]" 1 
       1347 1  35 PHE QE   1  75 GLU QB   3.680     . 3.680 2.203 1.956 3.025     .  0 0 "[    .    1    .    2]" 1 
       1348 1  35 PHE QE   1  75 GLU QG   4.050     . 4.050 3.742 1.982 4.055 0.005 18 0 "[    .    1    .    2]" 1 
       1349 1  35 PHE QE   1  76 LEU QB   4.990     . 4.990 2.444 2.044 2.824     .  0 0 "[    .    1    .    2]" 1 
       1350 1  35 PHE QE   1  79 LYS QD   5.260     . 5.260 2.743 2.179 3.302     .  0 0 "[    .    1    .    2]" 1 
       1351 1  35 PHE HZ   1  75 GLU QB   4.020     . 4.020 2.329 1.981 2.761     .  0 0 "[    .    1    .    2]" 1 
       1352 1  35 PHE HZ   1  75 GLU QG   5.340     . 5.340 3.981 3.463 4.510     .  0 0 "[    .    1    .    2]" 1 
       1353 1  35 PHE HZ   1  79 LYS QG   4.180     . 4.180 3.991 3.736 4.183 0.003  6 0 "[    .    1    .    2]" 1 
       1354 1  35 PHE HZ   1  79 LYS QD   4.020     . 4.020 3.518 2.960 3.828     .  0 0 "[    .    1    .    2]" 1 
       1355 1  37 THR HA   1  40 LEU QB   3.830     . 3.830 2.295 2.263 2.344     .  0 0 "[    .    1    .    2]" 1 
       1356 1  38 LEU HA   1  41 LEU QB   4.270     . 4.270 3.264 3.148 3.421     .  0 0 "[    .    1    .    2]" 1 
       1357 1  38 LEU QB   1  39 ALA H    3.790     . 3.790 2.479 2.400 2.540     .  0 0 "[    .    1    .    2]" 1 
       1358 1  38 LEU QB   1  76 LEU MD1  3.520     . 3.520 2.208 2.057 2.332     .  0 0 "[    .    1    .    2]" 1 
       1359 1  38 LEU QB   1  76 LEU MD2  3.690     . 3.690 2.585 2.414 2.801     .  0 0 "[    .    1    .    2]" 1 
       1360 1  38 LEU MD2  1  70 PRO QD   5.160     . 5.160 3.546 3.128 3.840     .  0 0 "[    .    1    .    2]" 1 
       1361 1  39 ALA MB   1  79 LYS QG   3.500     . 3.500 2.285 1.882 2.547     .  0 0 "[    .    1    .    2]" 1 
       1362 1  39 ALA MB   1  79 LYS QD   4.210     . 4.210 3.884 3.603 4.083     .  0 0 "[    .    1    .    2]" 1 
       1363 1  40 LEU H    1  40 LEU QB   3.220     . 3.220 2.232 2.224 2.242     .  0 0 "[    .    1    .    2]" 1 
       1364 1  40 LEU HA   1  43 SER QB   5.160     . 5.160 2.989 2.736 3.810     .  0 0 "[    .    1    .    2]" 1 
       1365 1  40 LEU QB   1  41 LEU H    3.780     . 3.780 2.358 2.326 2.375     .  0 0 "[    .    1    .    2]" 1 
       1366 1  40 LEU MD1  1 102 ASN QD   4.920     . 4.920 2.857 2.431 3.554     .  0 0 "[    .    1    .    2]" 1 
       1367 1  40 LEU MD2  1 102 ASN QD   4.620     . 4.620 2.479 2.256 2.832     .  0 0 "[    .    1    .    2]" 1 
       1368 1  41 LEU H    1  41 LEU QB   3.480     . 3.480 2.506 2.444 2.586     .  0 0 "[    .    1    .    2]" 1 
       1369 1  41 LEU HA   1  44 TYR QB   4.510     . 4.510 2.924 2.727 3.056     .  0 0 "[    .    1    .    2]" 1 
       1370 1  41 LEU QB   1  42 GLY H    3.830     . 3.830 2.688 2.659 2.701     .  0 0 "[    .    1    .    2]" 1 
       1371 1  41 LEU QB   1  99 PHE QE   4.290     . 4.290 2.025 1.957 2.225     .  0 0 "[    .    1    .    2]" 1 
       1372 1  41 LEU QB   1  99 PHE HZ   5.340     . 5.340 4.314 4.152 4.537     .  0 0 "[    .    1    .    2]" 1 
       1373 1  43 SER H    1  43 SER QB   3.480     . 3.480 2.425 2.222 2.639     .  0 0 "[    .    1    .    2]" 1 
       1374 1  43 SER QB   1  80 VAL HA   4.820     . 4.820 3.049 1.966 3.672     .  0 0 "[    .    1    .    2]" 1 
       1375 1  43 SER QB   1  80 VAL MG1  4.530     . 4.530 3.509 2.792 3.951     .  0 0 "[    .    1    .    2]" 1 
       1376 1  43 SER QB   1  83 LEU QB   3.870     . 3.870 2.099 1.789 2.363 0.011  4 0 "[    .    1    .    2]" 1 
       1377 1  43 SER QB   1  83 LEU MD1  4.570     . 4.570 2.428 2.068 2.812     .  0 0 "[    .    1    .    2]" 1 
       1378 1  43 SER QB   1  87 TYR QE   3.760     . 3.760 2.778 2.300 3.471     .  0 0 "[    .    1    .    2]" 1 
       1379 1  44 TYR QE   1  98 GLU QG   4.160     . 4.160 2.594 2.116 3.480     .  0 0 "[    .    1    .    2]" 1 
       1380 1  46 ILE H    1  46 ILE QG   3.620     . 3.620 2.101 2.013 2.187     .  0 0 "[    .    1    .    2]" 1 
       1381 1  46 ILE HA   1  49 GLU QB   4.070     . 4.070 2.351 2.267 2.454     .  0 0 "[    .    1    .    2]" 1 
       1382 1  46 ILE MG   1  84 HIS QB   4.950     . 4.950 3.364 2.907 3.623     .  0 0 "[    .    1    .    2]" 1 
       1383 1  46 ILE QG   1  63 VAL MG2  3.900     . 3.900 3.450 3.185 3.730     .  0 0 "[    .    1    .    2]" 1 
       1384 1  46 ILE QG   1  80 VAL MG1  3.420     . 3.420 2.018 1.926 2.185     .  0 0 "[    .    1    .    2]" 1 
       1385 1  46 ILE QG   1  80 VAL MG2  4.280     . 4.280 3.837 3.650 4.011     .  0 0 "[    .    1    .    2]" 1 
       1386 1  47 GLN QE   1  51 GLY QA   4.410     . 4.410 3.993 3.347 4.414 0.004  6 0 "[    .    1    .    2]" 1 
       1387 1  47 GLN QE   1  52 ASP H    4.730     . 4.730 4.245 3.633 4.732 0.002  7 0 "[    .    1    .    2]" 1 
       1388 1  47 GLN QE   1  52 ASP HA   4.030     . 4.030 2.403 1.941 2.835     .  0 0 "[    .    1    .    2]" 1 
       1389 1  47 GLN QE   1  90 MET H    4.090     . 4.090 3.870 2.946 4.097 0.007 14 0 "[    .    1    .    2]" 1 
       1390 1  47 GLN QE   1  90 MET QB   4.790     . 4.790 3.069 2.022 3.682     .  0 0 "[    .    1    .    2]" 1 
       1391 1  49 GLU H    1  49 GLU QB   3.390     . 3.390 2.103 2.091 2.131     .  0 0 "[    .    1    .    2]" 1 
       1392 1  49 GLU H    1  49 GLU QG   4.070     . 4.070 3.467 3.102 3.943     .  0 0 "[    .    1    .    2]" 1 
       1393 1  49 GLU QB   1  50 LEU H    3.900     . 3.900 2.676 2.598 2.738     .  0 0 "[    .    1    .    2]" 1 
       1394 1  49 GLU QB   1  50 LEU MD2  3.750     . 3.750 3.800 3.782 3.816 0.066 11 0 "[    .    1    .    2]" 1 
       1395 1  49 GLU QB   1  51 GLY H    4.820     . 4.820 4.376 4.322 4.426     .  0 0 "[    .    1    .    2]" 1 
       1396 1  49 GLU QB   1  66 PHE QE   4.630     . 4.630 2.854 2.113 3.550     .  0 0 "[    .    1    .    2]" 1 
       1397 1  49 GLU QG   1  66 PHE QE   4.270     . 4.270 2.725 2.155 3.914     .  0 0 "[    .    1    .    2]" 1 
       1398 1  51 GLY QA   1  52 ASP H    3.070     . 3.070 2.179 2.119 2.245     .  0 0 "[    .    1    .    2]" 1 
       1399 1  51 GLY QA   1  52 ASP HA   4.410     . 4.410 3.950 3.933 3.981     .  0 0 "[    .    1    .    2]" 1 
       1400 1  53 TYR H    1  53 TYR QB   3.560     . 3.560 2.269 2.213 2.367     .  0 0 "[    .    1    .    2]" 1 
       1401 1  53 TYR QB   1  85 LYS HA   4.240     . 4.240 2.529 1.985 3.079     .  0 0 "[    .    1    .    2]" 1 
       1402 1  53 TYR QD   1  85 LYS QG   4.740     . 4.740 2.746 2.174 3.768     .  0 0 "[    .    1    .    2]" 1 
       1403 1  53 TYR QE   1  55 PRO QD   4.430     . 4.430 3.209 2.469 3.737     .  0 0 "[    .    1    .    2]" 1 
       1404 1  54 ASP HA   1  55 PRO QD   3.570     . 3.570 1.999 1.905 2.070     .  0 0 "[    .    1    .    2]" 1 
       1405 1  55 PRO QB   1  57 LEU H    5.340     . 5.340 4.807 4.078 5.257     .  0 0 "[    .    1    .    2]" 1 
       1406 1  56 GLU H    1  56 GLU QB   3.070     . 3.070 2.623 2.479 2.781     .  0 0 "[    .    1    .    2]" 1 
       1407 1  56 GLU H    1  56 GLU QG   3.270     . 3.270 2.088 1.962 2.533     .  0 0 "[    .    1    .    2]" 1 
       1408 1  56 GLU HA   1  56 GLU QG   3.630     . 3.630 3.344 3.317 3.404     .  0 0 "[    .    1    .    2]" 1 
       1409 1  56 GLU QB   1  57 LEU H    4.250     . 4.250 3.490 3.347 3.637     .  0 0 "[    .    1    .    2]" 1 
       1410 1  56 GLU QG   1  57 LEU H    4.600     . 4.600 2.097 1.939 2.446     .  0 0 "[    .    1    .    2]" 1 
       1411 1  56 GLU QG   1  57 LEU HB3  5.340     . 5.340 4.585 4.338 4.993     .  0 0 "[    .    1    .    2]" 1 
       1412 1  56 GLU QG   1  57 LEU MD2  5.330     . 5.330 2.574 1.805 3.386     .  0 0 "[    .    1    .    2]" 1 
       1413 1  58 HIS H    1  58 HIS QB   3.560     . 3.560 2.729 2.249 3.390     .  0 0 "[    .    1    .    2]" 1 
       1414 1  58 HIS H    1  59 GLY QA   5.340     . 5.340 4.625 3.979 5.089     .  0 0 "[    .    1    .    2]" 1 
       1415 1  58 HIS QB   1  59 GLY H    4.050     . 4.050 2.359 1.942 3.822     .  0 0 "[    .    1    .    2]" 1 
       1416 1  59 GLY QA   1  60 VAL H    3.100     . 3.100 2.209 2.105 2.657     .  0 0 "[    .    1    .    2]" 1 
       1417 1  61 ASP H    1  61 ASP QB   3.650     . 3.650 2.828 2.182 3.402     .  0 0 "[    .    1    .    2]" 1 
       1418 1  62 TYR QE   1  81 MET QG   4.920     . 4.920 2.868 1.839 3.198     .  0 0 "[    .    1    .    2]" 1 
       1419 1  63 VAL MG1  1  66 PHE QB   4.330     . 4.330 2.813 1.994 3.546     .  0 0 "[    .    1    .    2]" 1 
       1420 1  63 VAL MG1  1  77 GLU QG   4.270     . 4.270 3.341 2.338 3.962     .  0 0 "[    .    1    .    2]" 1 
       1421 1  63 VAL MG1  1  81 MET QG   4.820     . 4.820 3.743 3.427 4.357     .  0 0 "[    .    1    .    2]" 1 
       1422 1  63 VAL MG2  1  81 MET QB   4.360     . 4.360 3.695 3.509 4.106     .  0 0 "[    .    1    .    2]" 1 
       1423 1  63 VAL MG2  1  81 MET QG   3.550     . 3.550 1.940 1.791 2.356 0.009 20 0 "[    .    1    .    2]" 1 
       1424 1  64 SER QB   1  65 ASP H    4.030     . 4.030 3.276 3.170 3.742     .  0 0 "[    .    1    .    2]" 1 
       1425 1  64 SER QB   1  66 PHE H    5.340     . 5.340 4.930 4.785 5.171     .  0 0 "[    .    1    .    2]" 1 
       1426 1  65 ASP H    1  65 ASP QB   3.110     . 3.110 2.275 2.117 2.825     .  0 0 "[    .    1    .    2]" 1 
       1427 1  65 ASP QB   1  66 PHE H    4.420     . 4.420 2.955 2.828 3.592     .  0 0 "[    .    1    .    2]" 1 
       1428 1  65 ASP QB   1  66 PHE QD   4.470     . 4.470 3.300 2.798 4.468     .  0 0 "[    .    1    .    2]" 1 
       1429 1  65 ASP QB   1  66 PHE QE   5.130     . 5.130 3.612 3.202 4.945     .  0 0 "[    .    1    .    2]" 1 
       1430 1  66 PHE H    1  66 PHE QB   3.370     . 3.370 2.441 2.307 2.577     .  0 0 "[    .    1    .    2]" 1 
       1431 1  66 PHE QB   1  67 LYS H    3.620     . 3.620 3.229 2.819 3.353     .  0 0 "[    .    1    .    2]" 1 
       1432 1  66 PHE QB   1  68 LEU MD1  5.070     . 5.070 3.582 2.699 4.001     .  0 0 "[    .    1    .    2]" 1 
       1433 1  66 PHE QB   1  68 LEU MD2  3.980     . 3.980 2.578 2.058 3.101     .  0 0 "[    .    1    .    2]" 1 
       1434 1  67 LYS H    1  67 LYS QB   3.270     . 3.270 2.454 2.135 2.778     .  0 0 "[    .    1    .    2]" 1 
       1435 1  67 LYS H    1  67 LYS QG   3.650     . 3.650 2.497 2.055 3.148     .  0 0 "[    .    1    .    2]" 1 
       1436 1  67 LYS QB   1  68 LEU H    4.450     . 4.450 3.708 3.614 3.810     .  0 0 "[    .    1    .    2]" 1 
       1437 1  67 LYS QE   1  67 LYS QG   3.470     . 3.470 2.158 1.991 2.409     .  0 0 "[    .    1    .    2]" 1 
       1438 1  68 LEU H    1  68 LEU QB   3.630     . 3.630 2.666 2.585 2.796     .  0 0 "[    .    1    .    2]" 1 
       1439 1  68 LEU QB   1  69 ALA H    3.760     . 3.760 3.011 2.946 3.162     .  0 0 "[    .    1    .    2]" 1 
       1440 1  68 LEU QB   1  76 LEU MD1  5.010     . 5.010 3.495 3.063 3.887     .  0 0 "[    .    1    .    2]" 1 
       1441 1  68 LEU MD1  1  72 GLN QE   3.860     . 3.860 2.041 1.838 2.405     .  0 0 "[    .    1    .    2]" 1 
       1442 1  69 ALA H    1  72 GLN QB   4.170     . 4.170 3.596 3.299 4.166     .  0 0 "[    .    1    .    2]" 1 
       1443 1  69 ALA MB   1  70 PRO QD   3.400     . 3.400 1.943 1.890 2.068     .  0 0 "[    .    1    .    2]" 1 
       1444 1  69 ALA MB   1  72 GLN QB   4.060     . 4.060 3.527 3.320 3.675     .  0 0 "[    .    1    .    2]" 1 
       1445 1  70 PRO QB   1  71 ASN H    4.060     . 4.060 2.914 1.961 3.286     .  0 0 "[    .    1    .    2]" 1 
       1446 1  70 PRO QD   1  71 ASN H    3.940     . 3.940 2.668 2.397 2.854     .  0 0 "[    .    1    .    2]" 1 
       1447 1  71 ASN HA   1  71 ASN QD   4.150     . 4.150 3.333 1.984 4.013     .  0 0 "[    .    1    .    2]" 1 
       1448 1  71 ASN QB   1  72 GLN H    4.080     . 4.080 3.943 3.869 4.006     .  0 0 "[    .    1    .    2]" 1 
       1449 1  72 GLN QB   1  73 THR H    4.030     . 4.030 3.798 3.737 3.843     .  0 0 "[    .    1    .    2]" 1 
       1450 1  72 GLN QB   1  76 LEU MD2  4.770     . 4.770 3.208 2.949 3.432     .  0 0 "[    .    1    .    2]" 1 
       1451 1  72 GLN QE   1  73 THR H    5.340     . 5.340 5.278 5.053 5.354 0.014  8 0 "[    .    1    .    2]" 1 
       1452 1  72 GLN QE   1  76 LEU HG   4.670     . 4.670 3.743 2.758 4.414     .  0 0 "[    .    1    .    2]" 1 
       1453 1  72 GLN QE   1  76 LEU MD2  3.930     . 3.930 3.095 2.503 3.892     .  0 0 "[    .    1    .    2]" 1 
       1454 1  73 THR H    1  76 LEU QB   3.640     . 3.640 2.163 2.002 2.227     .  0 0 "[    .    1    .    2]" 1 
       1455 1  74 LYS H    1  74 LYS QB   3.260     . 3.260 2.390 2.058 2.661     .  0 0 "[    .    1    .    2]" 1 
       1456 1  74 LYS HA   1  77 GLU QB   3.830     . 3.830 2.355 2.239 2.586     .  0 0 "[    .    1    .    2]" 1 
       1457 1  75 GLU H    1  75 GLU QB   3.160     . 3.160 2.301 2.051 2.709     .  0 0 "[    .    1    .    2]" 1 
       1458 1  75 GLU H    1  75 GLU QG   3.720     . 3.720 2.779 1.921 3.682     .  0 0 "[    .    1    .    2]" 1 
       1459 1  75 GLU HA   1  75 GLU QG   3.580     . 3.580 2.515 2.018 3.319     .  0 0 "[    .    1    .    2]" 1 
       1460 1  75 GLU QB   1  76 LEU H    3.930     . 3.930 2.485 2.207 3.308     .  0 0 "[    .    1    .    2]" 1 
       1461 1  75 GLU QB   1  77 GLU H    5.340     . 5.340 4.589 4.404 5.209     .  0 0 "[    .    1    .    2]" 1 
       1462 1  76 LEU H    1  76 LEU QB   3.160     . 3.160 2.220 2.207 2.235     .  0 0 "[    .    1    .    2]" 1 
       1463 1  76 LEU QB   1  77 GLU H    4.040     . 4.040 2.551 2.436 2.667     .  0 0 "[    .    1    .    2]" 1 
       1464 1  76 LEU MD1  1  79 LYS QG   5.340     . 5.340 4.331 4.127 4.493     .  0 0 "[    .    1    .    2]" 1 
       1465 1  77 GLU H    1  77 GLU QB   3.380     . 3.380 2.229 2.052 2.526     .  0 0 "[    .    1    .    2]" 1 
       1466 1  77 GLU H    1  77 GLU QG   3.920     . 3.920 2.815 2.031 3.736     .  0 0 "[    .    1    .    2]" 1 
       1467 1  77 GLU QB   1  78 GLU H    3.820     . 3.820 2.392 2.261 2.506     .  0 0 "[    .    1    .    2]" 1 
       1468 1  77 GLU QB   1  78 GLU QG   3.570     . 3.570 3.394 3.129 3.575 0.005  9 0 "[    .    1    .    2]" 1 
       1469 1  77 GLU QB   1  81 MET ME   3.710     . 3.710 2.117 1.915 2.652     .  0 0 "[    .    1    .    2]" 1 
       1470 1  77 GLU QG   1  78 GLU H    5.080     . 5.080 4.167 3.875 4.304     .  0 0 "[    .    1    .    2]" 1 
       1471 1  78 GLU H    1  78 GLU QG   3.140     . 3.140 2.427 2.115 2.668     .  0 0 "[    .    1    .    2]" 1 
       1472 1  78 GLU QG   1  81 MET ME   4.050     . 4.050 3.390 2.898 3.683     .  0 0 "[    .    1    .    2]" 1 
       1473 1  79 LYS H    1  79 LYS QD   3.980     . 3.980 3.530 3.101 3.959     .  0 0 "[    .    1    .    2]" 1 
       1474 1  79 LYS HA   1  79 LYS QD   3.510     . 3.510 2.284 2.077 2.684     .  0 0 "[    .    1    .    2]" 1 
       1475 1  79 LYS QE   1  83 LEU HG   4.730     . 4.730 3.853 2.711 4.458     .  0 0 "[    .    1    .    2]" 1 
       1476 1  79 LYS QE   1  83 LEU MD1  4.300     . 4.300 3.378 2.418 4.076     .  0 0 "[    .    1    .    2]" 1 
       1477 1  79 LYS QE   1  83 LEU MD2  4.030     . 4.030 3.716 2.827 4.031 0.001  8 0 "[    .    1    .    2]" 1 
       1478 1  80 VAL HA   1  83 LEU QB   5.070     . 5.070 3.201 3.003 3.451     .  0 0 "[    .    1    .    2]" 1 
       1479 1  81 MET H    1  81 MET QG   3.830     . 3.830 2.029 1.952 2.626     .  0 0 "[    .    1    .    2]" 1 
       1480 1  81 MET ME   1  81 MET QG   3.530     . 3.530 2.163 1.964 2.256     .  0 0 "[    .    1    .    2]" 1 
       1481 1  81 MET QG   1  82 GLU H    4.840     . 4.840 3.931 3.812 4.287     .  0 0 "[    .    1    .    2]" 1 
       1482 1  82 GLU H    1  82 GLU QG   4.240     . 4.240 3.610 2.767 4.021     .  0 0 "[    .    1    .    2]" 1 
       1483 1  82 GLU HA   1  82 GLU QG   3.560     . 3.560 2.208 2.014 2.478     .  0 0 "[    .    1    .    2]" 1 
       1484 1  82 GLU QG   1  83 LEU H    5.340     . 5.340 4.049 3.505 4.327     .  0 0 "[    .    1    .    2]" 1 
       1485 1  83 LEU QB   1  84 HIS H    3.750     . 3.750 2.644 2.560 2.765     .  0 0 "[    .    1    .    2]" 1 
       1486 1  83 LEU QB   1  87 TYR QE   4.340     . 4.340 2.752 2.397 3.219     .  0 0 "[    .    1    .    2]" 1 
       1487 1  84 HIS HA   1  87 TYR QB   5.020     . 5.020 3.774 3.073 4.523     .  0 0 "[    .    1    .    2]" 1 
       1488 1  84 HIS QB   1  85 LYS H    3.570     . 3.570 2.235 2.201 2.343     .  0 0 "[    .    1    .    2]" 1 
       1489 1  85 LYS H    1  85 LYS QB   3.520     . 3.520 2.287 2.052 2.607     .  0 0 "[    .    1    .    2]" 1 
       1490 1  85 LYS H    1  85 LYS QG   4.080     . 4.080 3.443 1.996 4.016     .  0 0 "[    .    1    .    2]" 1 
       1491 1  85 LYS HA   1  85 LYS QG   3.530     . 3.530 2.446 2.207 2.618     .  0 0 "[    .    1    .    2]" 1 
       1492 1  85 LYS QB   1  86 SER H    4.350     . 4.350 2.846 2.715 2.973     .  0 0 "[    .    1    .    2]" 1 
       1493 1  86 SER H    1  86 SER QB   3.530     . 3.530 2.239 2.050 2.352     .  0 0 "[    .    1    .    2]" 1 
       1494 1  87 TYR H    1  87 TYR QB   3.610     . 3.610 2.431 2.207 2.559     .  0 0 "[    .    1    .    2]" 1 
       1495 1  87 TYR QB   1  90 MET ME   3.910     . 3.910 2.421 1.963 2.829     .  0 0 "[    .    1    .    2]" 1 
       1496 1  90 MET QB   1  90 MET ME   3.340     . 3.340 2.131 1.924 2.447     .  0 0 "[    .    1    .    2]" 1 
       1497 1  90 MET QB   1  95 ALA MB   4.730     . 4.730 4.519 4.144 4.747 0.017 16 0 "[    .    1    .    2]" 1 
       1498 1  90 MET ME   1  90 MET QG   3.220     . 3.220 2.393 2.161 2.531     .  0 0 "[    .    1    .    2]" 1 
       1499 1  90 MET QG   1  91 THR H    3.970     . 3.970 2.068 1.933 2.359     .  0 0 "[    .    1    .    2]" 1 
       1500 1  90 MET QG   1  94 GLN H    5.230     . 5.230 3.932 3.807 4.141     .  0 0 "[    .    1    .    2]" 1 
       1501 1  90 MET QG   1  95 ALA H    4.580     . 4.580 3.363 3.110 3.620     .  0 0 "[    .    1    .    2]" 1 
       1502 1  90 MET QG   1  95 ALA MB   4.010     . 4.010 3.481 3.113 3.988     .  0 0 "[    .    1    .    2]" 1 
       1503 1  90 MET ME   1  94 GLN QB   4.420     . 4.420 3.480 2.962 3.932     .  0 0 "[    .    1    .    2]" 1 
       1504 1  91 THR H    1  94 GLN QB   4.000     . 4.000 2.464 2.205 2.746     .  0 0 "[    .    1    .    2]" 1 
       1505 1  92 PRO QG   1  93 ALA H    3.610     . 3.610 2.561 2.113 3.566     .  0 0 "[    .    1    .    2]" 1 
       1506 1  93 ALA HA   1  96 ASP QB   5.120     . 5.120 2.364 2.155 2.642     .  0 0 "[    .    1    .    2]" 1 
       1507 1  94 GLN H    1  94 GLN QB   3.390     . 3.390 2.131 2.040 2.478     .  0 0 "[    .    1    .    2]" 1 
       1508 1  94 GLN H    1  94 GLN QE   4.440     . 4.440 3.950 2.987 4.442 0.002  2 0 "[    .    1    .    2]" 1 
       1509 1  94 GLN H    1  97 LEU QB   4.970     . 4.970 4.819 4.720 4.873     .  0 0 "[    .    1    .    2]" 1 
       1510 1  94 GLN QB   1  95 ALA H    3.810     . 3.810 2.615 2.416 2.741     .  0 0 "[    .    1    .    2]" 1 
       1511 1  94 GLN QB   1  95 ALA MB   4.260     . 4.260 3.780 3.747 3.829     .  0 0 "[    .    1    .    2]" 1 
       1512 1  96 ASP H    1  96 ASP QB   3.320     . 3.320 2.211 2.037 2.591     .  0 0 "[    .    1    .    2]" 1 
       1513 1  96 ASP H    1  97 LEU QB   4.820     . 4.820 4.421 4.314 4.477     .  0 0 "[    .    1    .    2]" 1 
       1514 1  96 ASP HA   1  99 PHE QB   3.800 3.800 3.800 3.731 3.703 3.744 0.097 16 0 "[    .    1    .    2]" 1 
       1515 1  96 ASP QB   1  97 LEU H    4.060     . 4.060 2.616 2.504 2.693     .  0 0 "[    .    1    .    2]" 1 
       1516 1  97 LEU QB   1  97 LEU MD2  2.810     . 2.810 2.073 2.054 2.095     .  0 0 "[    .    1    .    2]" 1 
       1517 1  98 GLU H    1  98 GLU QG   3.430     . 3.430 2.653 2.300 3.221     .  0 0 "[    .    1    .    2]" 1 
       1518 1  98 GLU HA   1 101 GLU QB   4.160     . 4.160 2.917 2.697 3.040     .  0 0 "[    .    1    .    2]" 1 
       1519 1  99 PHE H    1  99 PHE QB   3.380     . 3.380 2.240 2.224 2.256     .  0 0 "[    .    1    .    2]" 1 
       1520 1  99 PHE QB   1 100 LEU H    3.510     . 3.510 2.607 2.525 2.716     .  0 0 "[    .    1    .    2]" 1 
       1521 1  99 PHE QB   1 100 LEU MD2  4.850     . 4.850 4.059 3.771 4.527     .  0 0 "[    .    1    .    2]" 1 
       1522 1 100 LEU H    1 100 LEU QB   3.320     . 3.320 2.340 2.285 2.385     .  0 0 "[    .    1    .    2]" 1 
       1523 1 100 LEU QB   1 100 LEU MD1  3.000     . 3.000 2.069 2.022 2.101     .  0 0 "[    .    1    .    2]" 1 
       1524 1 100 LEU QB   1 101 GLU H    4.100     . 4.100 2.596 2.538 2.668     .  0 0 "[    .    1    .    2]" 1 
       1525 1 100 LEU QB   1 103 ALA MB   4.890     . 4.890 4.449 4.343 4.590     .  0 0 "[    .    1    .    2]" 1 
       1526 1 101 GLU H    1 101 GLU QB   3.180     . 3.180 2.265 2.228 2.318     .  0 0 "[    .    1    .    2]" 1 
       1527 1 101 GLU QB   1 102 ASN H    3.620     . 3.620 2.757 2.704 2.772     .  0 0 "[    .    1    .    2]" 1 
       1528 1 101 GLU QB   1 102 ASN QD   4.420     . 4.420 3.480 3.273 4.046     .  0 0 "[    .    1    .    2]" 1 
       1529 1 102 ASN H    1 102 ASN QD   3.730     . 3.730 2.921 2.781 3.154     .  0 0 "[    .    1    .    2]" 1 
       1530 1 103 ALA MB   1 108 MET QB   5.120     . 5.120 2.779 1.954 4.470     .  0 0 "[    .    1    .    2]" 1 
       1531 1 103 ALA MB   1 108 MET QG   5.060     . 5.060 2.677 1.962 3.469     .  0 0 "[    .    1    .    2]" 1 
       1532 1 104 LYS QB   1 104 LYS QE   4.180     . 4.180 2.925 1.945 3.690     .  0 0 "[    .    1    .    2]" 1 
       1533 1 104 LYS QB   1 109 TYR QE   5.250     . 5.250 3.639 2.995 4.337     .  0 0 "[    .    1    .    2]" 1 
       1534 1 105 LYS H    1 105 LYS QG   4.080     . 4.080 3.568 2.750 3.979     .  0 0 "[    .    1    .    2]" 1 
       1535 1 105 LYS HA   1 105 LYS QG   3.470     . 3.470 2.175 2.004 2.417     .  0 0 "[    .    1    .    2]" 1 
       1536 1 105 LYS QE   1 105 LYS QG   3.470     . 3.470 2.186 1.966 2.645     .  0 0 "[    .    1    .    2]" 1 
       1537 1 108 MET H    1 108 MET QB   3.530     . 3.530 2.573 2.415 2.761     .  0 0 "[    .    1    .    2]" 1 
       1538 1 108 MET H    1 108 MET QG   3.480     . 3.480 2.171 1.961 2.614     .  0 0 "[    .    1    .    2]" 1 
       1539 1 108 MET HA   1 108 MET QG   3.540     . 3.540 2.723 2.320 3.339     .  0 0 "[    .    1    .    2]" 1 
       1540 1 108 MET QB   1 108 MET ME   3.370     . 3.370 2.485 1.984 3.031     .  0 0 "[    .    1    .    2]" 1 
       1541 1 108 MET QB   1 109 TYR H    4.040     . 4.040 2.986 2.559 4.032     .  0 0 "[    .    1    .    2]" 1 
       1542 1 108 MET QG   1 109 TYR QD   4.880     . 4.880 3.929 3.116 4.606     .  0 0 "[    .    1    .    2]" 1 
       1543 1 108 MET QG   1 109 TYR QE   4.370     . 4.370 4.311 3.898 4.379 0.009 20 0 "[    .    1    .    2]" 1 
    stop_

save_


save_distance_constraint_statistics_2
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            2
    _Distance_constraint_stats_list.Constraint_count              88
    _Distance_constraint_stats_list.Viol_count                    449
    _Distance_constraint_stats_list.Viol_total                    121.512
    _Distance_constraint_stats_list.Viol_max                      0.054
    _Distance_constraint_stats_list.Viol_rms                      0.0076
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0035
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0135
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       .

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

       1  11 GLU 0.073 0.021 19 0 "[    .    1    .    2]" 
       1  12 ASP 0.080 0.039 10 0 "[    .    1    .    2]" 
       1  13 ILE 0.136 0.018  1 0 "[    .    1    .    2]" 
       1  14 THR 0.243 0.023  1 0 "[    .    1    .    2]" 
       1  15 ARG 0.082 0.021 19 0 "[    .    1    .    2]" 
       1  16 TYR 0.425 0.039 10 0 "[    .    1    .    2]" 
       1  17 TYR 0.239 0.018  1 0 "[    .    1    .    2]" 
       1  18 LEU 0.243 0.023  1 0 "[    .    1    .    2]" 
       1  19 CYS 0.035 0.010 10 0 "[    .    1    .    2]" 
       1  20 LEU 0.380 0.026 10 0 "[    .    1    .    2]" 
       1  21 GLN 0.224 0.029 14 0 "[    .    1    .    2]" 
       1  22 LEU 0.022 0.009  1 0 "[    .    1    .    2]" 
       1  23 ARG 0.115 0.018 19 0 "[    .    1    .    2]" 
       1  24 GLN 0.035 0.008 10 0 "[    .    1    .    2]" 
       1  25 ASP 0.122 0.029 14 0 "[    .    1    .    2]" 
       1  26 ILE 0.022 0.009  1 0 "[    .    1    .    2]" 
       1  27 VAL 0.090 0.018 19 0 "[    .    1    .    2]" 
       1  35 PHE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  36 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  37 THR 0.382 0.028  6 0 "[    .    1    .    2]" 
       1  38 LEU 0.130 0.014 11 0 "[    .    1    .    2]" 
       1  39 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  40 LEU 0.440 0.030 11 0 "[    .    1    .    2]" 
       1  41 LEU 0.597 0.028 14 0 "[    .    1    .    2]" 
       1  42 GLY 0.138 0.014 11 0 "[    .    1    .    2]" 
       1  43 SER 0.486 0.034 19 0 "[    .    1    .    2]" 
       1  44 TYR 0.440 0.030 11 0 "[    .    1    .    2]" 
       1  45 THR 0.233 0.028 14 0 "[    .    1    .    2]" 
       1  46 ILE 0.340 0.032 19 0 "[    .    1    .    2]" 
       1  47 GLN 0.486 0.034 19 0 "[    .    1    .    2]" 
       1  48 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  49 GLU 0.019 0.006 14 0 "[    .    1    .    2]" 
       1  50 LEU 0.332 0.032 19 0 "[    .    1    .    2]" 
       1  74 LYS 0.224 0.019  9 0 "[    .    1    .    2]" 
       1  75 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  76 LEU 0.120 0.012  1 0 "[    .    1    .    2]" 
       1  77 GLU 0.037 0.007 19 0 "[    .    1    .    2]" 
       1  78 GLU 0.477 0.029  5 0 "[    .    1    .    2]" 
       1  79 LYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  80 VAL 0.249 0.019 15 0 "[    .    1    .    2]" 
       1  81 MET 0.040 0.007 19 0 "[    .    1    .    2]" 
       1  82 GLU 0.293 0.029  5 0 "[    .    1    .    2]" 
       1  83 LEU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  84 HIS 0.129 0.019 15 0 "[    .    1    .    2]" 
       1  85 LYS 0.003 0.003 17 0 "[    .    1    .    2]" 
       1  86 SER 0.040 0.007  3 0 "[    .    1    .    2]" 
       1  92 PRO 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  93 ALA 0.009 0.006 16 0 "[    .    1    .    2]" 
       1  94 GLN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  95 ALA 0.235 0.037 16 0 "[    .    1    .    2]" 
       1  96 ASP 0.699 0.054  4 0 "[    .    1    .    2]" 
       1  97 LEU 0.172 0.013 19 0 "[    .    1    .    2]" 
       1  98 GLU 0.434 0.035  5 0 "[    .    1    .    2]" 
       1  99 PHE 0.380 0.037 16 0 "[    .    1    .    2]" 
       1 100 LEU 0.699 0.054  4 0 "[    .    1    .    2]" 
       1 101 GLU 0.453 0.026 20 0 "[    .    1    .    2]" 
       1 102 ASN 0.434 0.035  5 0 "[    .    1    .    2]" 
       1 103 ALA 0.144 0.016 13 0 "[    .    1    .    2]" 
       1 104 LYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 105 LYS 0.291 0.026 20 0 "[    .    1    .    2]" 
    stop_

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

        1 1  11 GLU O 1  15 ARG N 3.200 2.700 3.200 3.036 2.735 3.156     .  0 0 "[    .    1    .    2]" 2 
        2 1  11 GLU O 1  15 ARG H 2.200     . 2.200 2.100 1.779 2.215 0.021 19 0 "[    .    1    .    2]" 2 
        3 1  12 ASP O 1  16 TYR N 3.200 2.700 3.200 3.082 2.945 3.184     .  0 0 "[    .    1    .    2]" 2 
        4 1  12 ASP O 1  16 TYR H 2.200     . 2.200 2.125 1.978 2.239 0.039 10 0 "[    .    1    .    2]" 2 
        5 1  13 ILE O 1  17 TYR N 3.200 2.700 3.200 3.163 3.024 3.191     .  0 0 "[    .    1    .    2]" 2 
        6 1  13 ILE O 1  17 TYR H 2.200     . 2.200 2.190 2.045 2.218 0.018  1 0 "[    .    1    .    2]" 2 
        7 1  14 THR O 1  18 LEU N 3.200 2.700 3.200 2.699 2.678 2.746 0.022 11 0 "[    .    1    .    2]" 2 
        8 1  14 THR O 1  18 LEU H 2.200     . 2.200 1.855 1.777 1.901 0.023  1 0 "[    .    1    .    2]" 2 
        9 1  15 ARG O 1  19 CYS N 3.200 2.700 3.200 2.901 2.767 3.171     .  0 0 "[    .    1    .    2]" 2 
       10 1  15 ARG O 1  19 CYS H 2.200     . 2.200 1.925 1.790 2.198 0.010 10 0 "[    .    1    .    2]" 2 
       11 1  16 TYR O 1  20 LEU N 3.200 2.700 3.200 3.159 3.132 3.179     .  0 0 "[    .    1    .    2]" 2 
       12 1  16 TYR O 1  20 LEU H 2.200     . 2.200 2.217 2.204 2.226 0.026 10 0 "[    .    1    .    2]" 2 
       13 1  17 TYR O 1  21 GLN N 3.200 2.700 3.200 3.052 2.802 3.151     .  0 0 "[    .    1    .    2]" 2 
       14 1  17 TYR O 1  21 GLN H 2.200     . 2.200 2.139 1.849 2.211 0.011 10 0 "[    .    1    .    2]" 2 
       15 1  18 LEU O 1  22 LEU N 3.200 2.700 3.200 2.875 2.775 3.021     .  0 0 "[    .    1    .    2]" 2 
       16 1  18 LEU O 1  22 LEU H 2.200     . 2.200 1.910 1.803 2.069     .  0 0 "[    .    1    .    2]" 2 
       17 1  19 CYS O 1  23 ARG N 3.200 2.700 3.200 2.773 2.702 2.964     .  0 0 "[    .    1    .    2]" 2 
       18 1  19 CYS O 1  23 ARG H 2.200     . 2.200 1.839 1.794 2.003 0.006 10 0 "[    .    1    .    2]" 2 
       19 1  20 LEU O 1  24 GLN N 3.200 2.700 3.200 2.942 2.780 3.042     .  0 0 "[    .    1    .    2]" 2 
       20 1  20 LEU O 1  24 GLN H 2.200     . 2.200 2.158 1.890 2.208 0.008 10 0 "[    .    1    .    2]" 2 
       21 1  21 GLN O 1  25 ASP N 3.200 2.700 3.200 3.067 2.923 3.149     .  0 0 "[    .    1    .    2]" 2 
       22 1  21 GLN O 1  25 ASP H 2.200     . 2.200 2.164 2.033 2.229 0.029 14 0 "[    .    1    .    2]" 2 
       23 1  22 LEU O 1  26 ILE N 3.200 2.700 3.200 3.093 3.008 3.136     .  0 0 "[    .    1    .    2]" 2 
       24 1  22 LEU O 1  26 ILE H 2.200     . 2.200 2.156 2.043 2.209 0.009  1 0 "[    .    1    .    2]" 2 
       25 1  23 ARG O 1  27 VAL N 3.200 2.700 3.200 3.138 3.038 3.179     .  0 0 "[    .    1    .    2]" 2 
       26 1  23 ARG O 1  27 VAL H 2.200     . 2.200 2.180 2.081 2.218 0.018 19 0 "[    .    1    .    2]" 2 
       27 1  35 PHE O 1  39 ALA N 3.200 2.700 3.200 2.893 2.848 2.941     .  0 0 "[    .    1    .    2]" 2 
       28 1  35 PHE O 1  39 ALA H 2.200     . 2.200 1.934 1.897 2.000     .  0 0 "[    .    1    .    2]" 2 
       29 1  36 ALA O 1  40 LEU N 3.200 2.700 3.200 2.840 2.807 2.888     .  0 0 "[    .    1    .    2]" 2 
       30 1  36 ALA O 1  40 LEU H 2.200     . 2.200 1.972 1.922 2.030     .  0 0 "[    .    1    .    2]" 2 
       31 1  37 THR O 1  41 LEU N 3.200 2.700 3.200 2.753 2.745 2.760     .  0 0 "[    .    1    .    2]" 2 
       32 1  37 THR O 1  41 LEU H 2.200     . 2.200 1.781 1.772 1.788 0.028  6 0 "[    .    1    .    2]" 2 
       33 1  38 LEU O 1  42 GLY N 3.200 2.700 3.200 3.031 2.954 3.059     .  0 0 "[    .    1    .    2]" 2 
       34 1  38 LEU O 1  42 GLY H 2.200     . 2.200 2.204 2.156 2.214 0.014 11 0 "[    .    1    .    2]" 2 
       35 1  39 ALA O 1  43 SER N 3.200 2.700 3.200 2.803 2.733 2.866     .  0 0 "[    .    1    .    2]" 2 
       36 1  39 ALA O 1  43 SER H 2.200     . 2.200 1.852 1.801 1.907     .  0 0 "[    .    1    .    2]" 2 
       37 1  40 LEU O 1  44 TYR N 3.200 2.700 3.200 3.115 3.073 3.145     .  0 0 "[    .    1    .    2]" 2 
       38 1  40 LEU O 1  44 TYR H 2.200     . 2.200 2.222 2.214 2.230 0.030 11 0 "[    .    1    .    2]" 2 
       39 1  41 LEU O 1  45 THR N 3.200 2.700 3.200 3.139 3.114 3.161     .  0 0 "[    .    1    .    2]" 2 
       40 1  41 LEU O 1  45 THR H 2.200     . 2.200 2.211 2.202 2.228 0.028 14 0 "[    .    1    .    2]" 2 
       41 1  42 GLY O 1  46 ILE N 3.200 2.700 3.200 2.859 2.750 2.990     .  0 0 "[    .    1    .    2]" 2 
       42 1  42 GLY O 1  46 ILE H 2.200     . 2.200 1.909 1.792 2.043 0.008 13 0 "[    .    1    .    2]" 2 
       43 1  43 SER O 1  47 GLN N 3.200 2.700 3.200 3.167 3.159 3.178     .  0 0 "[    .    1    .    2]" 2 
       44 1  43 SER O 1  47 GLN H 2.200     . 2.200 2.224 2.213 2.234 0.034 19 0 "[    .    1    .    2]" 2 
       45 1  44 TYR O 1  48 SER N 3.200 2.700 3.200 2.960 2.900 3.036     .  0 0 "[    .    1    .    2]" 2 
       46 1  44 TYR O 1  48 SER H 2.200     . 2.200 2.065 1.995 2.131     .  0 0 "[    .    1    .    2]" 2 
       47 1  45 THR O 1  49 GLU N 3.200 2.700 3.200 2.737 2.694 2.835 0.006 14 0 "[    .    1    .    2]" 2 
       48 1  45 THR O 1  49 GLU H 2.200     . 2.200 1.998 1.911 2.155     .  0 0 "[    .    1    .    2]" 2 
       49 1  46 ILE O 1  50 LEU N 3.200 2.700 3.200 2.747 2.730 2.775     .  0 0 "[    .    1    .    2]" 2 
       50 1  46 ILE O 1  50 LEU H 2.200     . 2.200 1.784 1.768 1.812 0.032 19 0 "[    .    1    .    2]" 2 
       51 1  74 LYS O 1  78 GLU N 3.200 2.700 3.200 2.752 2.726 2.780     .  0 0 "[    .    1    .    2]" 2 
       52 1  74 LYS O 1  78 GLU H 2.200     . 2.200 1.789 1.781 1.800 0.019  9 0 "[    .    1    .    2]" 2 
       53 1  75 GLU O 1  79 LYS N 3.200 2.700 3.200 3.006 2.818 3.150     .  0 0 "[    .    1    .    2]" 2 
       54 1  75 GLU O 1  79 LYS H 2.200     . 2.200 2.040 1.856 2.193     .  0 0 "[    .    1    .    2]" 2 
       55 1  76 LEU O 1  80 VAL N 3.200 2.700 3.200 3.016 2.965 3.049     .  0 0 "[    .    1    .    2]" 2 
       56 1  76 LEU O 1  80 VAL H 2.200     . 2.200 2.201 2.122 2.212 0.012  1 0 "[    .    1    .    2]" 2 
       57 1  77 GLU O 1  81 MET N 3.200 2.700 3.200 3.135 3.082 3.161     .  0 0 "[    .    1    .    2]" 2 
       58 1  77 GLU O 1  81 MET H 2.200     . 2.200 2.183 2.116 2.207 0.007 19 0 "[    .    1    .    2]" 2 
       59 1  78 GLU O 1  82 GLU N 3.200 2.700 3.200 2.749 2.716 2.788     .  0 0 "[    .    1    .    2]" 2 
       60 1  78 GLU O 1  82 GLU H 2.200     . 2.200 1.790 1.771 1.825 0.029  5 0 "[    .    1    .    2]" 2 
       61 1  79 LYS O 1  83 LEU N 3.200 2.700 3.200 2.985 2.891 3.108     .  0 0 "[    .    1    .    2]" 2 
       62 1  79 LYS O 1  83 LEU H 2.200     . 2.200 2.040 1.953 2.146     .  0 0 "[    .    1    .    2]" 2 
       63 1  80 VAL O 1  84 HIS N 3.200 2.700 3.200 3.074 2.978 3.126     .  0 0 "[    .    1    .    2]" 2 
       64 1  80 VAL O 1  84 HIS H 2.200     . 2.200 2.191 2.121 2.219 0.019 15 0 "[    .    1    .    2]" 2 
       65 1  81 MET O 1  85 LYS N 3.200 2.700 3.200 3.034 2.824 3.172     .  0 0 "[    .    1    .    2]" 2 
       66 1  81 MET O 1  85 LYS H 2.200     . 2.200 2.060 1.848 2.203 0.003 17 0 "[    .    1    .    2]" 2 
       67 1  82 GLU O 1  86 SER N 3.200 2.700 3.200 2.739 2.693 2.968 0.007  3 0 "[    .    1    .    2]" 2 
       68 1  82 GLU O 1  86 SER H 2.200     . 2.200 1.906 1.805 2.135     .  0 0 "[    .    1    .    2]" 2 
       69 1  92 PRO O 1  96 ASP N 3.200 2.700 3.200 2.900 2.790 3.023     .  0 0 "[    .    1    .    2]" 2 
       70 1  92 PRO O 1  96 ASP H 2.200     . 2.200 1.945 1.834 2.062     .  0 0 "[    .    1    .    2]" 2 
       71 1  93 ALA O 1  97 LEU N 3.200 2.700 3.200 2.816 2.738 2.914     .  0 0 "[    .    1    .    2]" 2 
       72 1  93 ALA O 1  97 LEU H 2.200     . 2.200 1.896 1.794 2.059 0.006 16 0 "[    .    1    .    2]" 2 
       73 1  94 GLN O 1  98 GLU N 3.200 2.700 3.200 2.850 2.741 2.965     .  0 0 "[    .    1    .    2]" 2 
       74 1  94 GLN O 1  98 GLU H 2.200     . 2.200 2.025 1.882 2.193     .  0 0 "[    .    1    .    2]" 2 
       75 1  95 ALA O 1  99 PHE N 3.200 2.700 3.200 3.175 3.133 3.203 0.003 16 0 "[    .    1    .    2]" 2 
       76 1  95 ALA O 1  99 PHE H 2.200     . 2.200 2.208 2.153 2.237 0.037 16 0 "[    .    1    .    2]" 2 
       77 1  96 ASP O 1 100 LEU N 3.200 2.700 3.200 3.146 3.119 3.185     .  0 0 "[    .    1    .    2]" 2 
       78 1  96 ASP O 1 100 LEU H 2.200     . 2.200 2.235 2.222 2.254 0.054  4 0 "[    .    1    .    2]" 2 
       79 1  97 LEU O 1 101 GLU N 3.200 2.700 3.200 2.712 2.687 2.956 0.013 19 0 "[    .    1    .    2]" 2 
       80 1  97 LEU O 1 101 GLU H 2.200     . 2.200 1.848 1.794 2.111 0.006 19 0 "[    .    1    .    2]" 2 
       81 1  98 GLU O 1 102 ASN N 3.200 2.700 3.200 3.014 2.980 3.039     .  0 0 "[    .    1    .    2]" 2 
       82 1  98 GLU O 1 102 ASN H 2.200     . 2.200 2.222 2.209 2.235 0.035  5 0 "[    .    1    .    2]" 2 
       83 1  99 PHE O 1 103 ALA N 3.200 2.700 3.200 2.777 2.755 2.882     .  0 0 "[    .    1    .    2]" 2 
       84 1  99 PHE O 1 103 ALA H 2.200     . 2.200 1.801 1.784 1.906 0.016 13 0 "[    .    1    .    2]" 2 
       85 1 100 LEU O 1 104 LYS N 3.200 2.700 3.200 2.894 2.804 2.937     .  0 0 "[    .    1    .    2]" 2 
       86 1 100 LEU O 1 104 LYS H 2.200     . 2.200 2.011 1.924 2.050     .  0 0 "[    .    1    .    2]" 2 
       87 1 101 GLU O 1 105 LYS N 3.200 2.700 3.200 3.033 2.975 3.107     .  0 0 "[    .    1    .    2]" 2 
       88 1 101 GLU O 1 105 LYS H 2.200     . 2.200 2.215 2.204 2.226 0.026 20 0 "[    .    1    .    2]" 2 
    stop_

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