NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype subsubtype
395284 1rqt cing 4-filtered-FRED Wattos check violation distance


data_1rqt


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              640
    _Distance_constraint_stats_list.Viol_count                    1637
    _Distance_constraint_stats_list.Viol_total                    1979.609
    _Distance_constraint_stats_list.Viol_max                      0.803
    _Distance_constraint_stats_list.Viol_rms                      0.0300
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0077
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0605
    _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  1 SER 2.044 0.106  9 0 "[    .    1    .    2]" 
       1  2 ILE 4.238 0.106  9 0 "[    .    1    .    2]" 
       1  3 THR 2.328 0.102  7 0 "[    .    1    .    2]" 
       1  4 LYS 5.113 0.132 16 0 "[    .    1    .    2]" 
       1  5 ASP 6.105 0.135 14 0 "[    .    1    .    2]" 
       1  6 GLN 0.897 0.094 11 0 "[    .    1    .    2]" 
       1  7 ILE 8.193 0.803 15 8 "[  ***-  **    +   *2]" 
       1  8 ILE 0.464 0.085  5 0 "[    .    1    .    2]" 
       1  9 GLU 1.892 0.094 10 0 "[    .    1    .    2]" 
       1 10 ALA 9.216 0.803 15 8 "[  ***-  **    +   *2]" 
       1 11 VAL 6.891 0.365 19 0 "[    .    1    .    2]" 
       1 12 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 13 ALA 0.233 0.029  1 0 "[    .    1    .    2]" 
       1 14 MET 2.211 0.090  7 0 "[    .    1    .    2]" 
       1 15 SER 4.447 0.094 16 0 "[    .    1    .    2]" 
       1 16 VAL 0.110 0.029  9 0 "[    .    1    .    2]" 
       1 17 MET 2.418 0.112 17 0 "[    .    1    .    2]" 
       1 18 ASP 1.951 0.112 17 0 "[    .    1    .    2]" 
       1 19 VAL 0.088 0.055  2 0 "[    .    1    .    2]" 
       1 20 VAL 0.261 0.066 18 0 "[    .    1    .    2]" 
       1 21 GLU 2.346 0.107  4 0 "[    .    1    .    2]" 
       1 22 LEU 4.701 0.115 17 0 "[    .    1    .    2]" 
       1 23 ILE 2.460 0.102 14 0 "[    .    1    .    2]" 
       1 24 SER 3.029 0.117  7 0 "[    .    1    .    2]" 
       1 25 ALA 3.692 0.117  7 0 "[    .    1    .    2]" 
       1 26 MET 7.130 0.141 17 0 "[    .    1    .    2]" 
       1 27 GLU 4.379 0.124  5 0 "[    .    1    .    2]" 
       1 28 GLU 1.202 0.084 20 0 "[    .    1    .    2]" 
       1 29 LYS 1.174 0.060  2 0 "[    .    1    .    2]" 
       1 30 PHE 4.229 0.125  4 0 "[    .    1    .    2]" 
       1 31 GLY 0.258 0.068  5 0 "[    .    1    .    2]" 
       1 32 VAL 0.168 0.073 15 0 "[    .    1    .    2]" 
       1 33 SER 0.341 0.073 15 0 "[    .    1    .    2]" 
       1 34 ALA 0.100 0.048  9 0 "[    .    1    .    2]" 
       1 35 ALA 0.095 0.048  9 0 "[    .    1    .    2]" 
       1 36 ALA 0.794 0.137 13 0 "[    .    1    .    2]" 
       1 37 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       2  1 SER 1.812 0.085 16 0 "[    .    1    .    2]" 
       2  2 ILE 2.539 0.090  2 0 "[    .    1    .    2]" 
       2  3 THR 2.208 0.098 20 0 "[    .    1    .    2]" 
       2  4 LYS 5.047 0.129 20 0 "[    .    1    .    2]" 
       2  5 ASP 5.815 0.134 10 0 "[    .    1    .    2]" 
       2  6 GLN 1.097 0.098  1 0 "[    .    1    .    2]" 
       2  7 ILE 0.165 0.027  7 0 "[    .    1    .    2]" 
       2  8 ILE 0.451 0.085 18 0 "[    .    1    .    2]" 
       2  9 GLU 1.942 0.100  8 0 "[    .    1    .    2]" 
       2 10 ALA 3.483 0.117 20 0 "[    .    1    .    2]" 
       2 11 VAL 4.912 0.141 17 0 "[    .    1    .    2]" 
       2 12 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       2 13 ALA 0.135 0.019  9 0 "[    .    1    .    2]" 
       2 14 MET 1.959 0.095  2 0 "[    .    1    .    2]" 
       2 15 SER 4.224 0.095  2 0 "[    .    1    .    2]" 
       2 16 VAL 0.206 0.035  2 0 "[    .    1    .    2]" 
       2 17 MET 2.459 0.097  7 0 "[    .    1    .    2]" 
       2 18 ASP 1.897 0.097  7 0 "[    .    1    .    2]" 
       2 19 VAL 0.187 0.067 19 0 "[    .    1    .    2]" 
       2 20 VAL 0.218 0.053 11 0 "[    .    1    .    2]" 
       2 21 GLU 2.398 0.105  8 0 "[    .    1    .    2]" 
       2 22 LEU 4.659 0.112  9 0 "[    .    1    .    2]" 
       2 23 ILE 2.220 0.112  9 0 "[    .    1    .    2]" 
       2 24 SER 3.103 0.107 17 0 "[    .    1    .    2]" 
       2 25 ALA 3.566 0.107 17 0 "[    .    1    .    2]" 
       2 26 MET 6.896 0.139 19 0 "[    .    1    .    2]" 
       2 27 GLU 4.713 0.121  5 0 "[    .    1    .    2]" 
       2 28 GLU 1.966 0.092  8 0 "[    .    1    .    2]" 
       2 29 LYS 1.184 0.060 20 0 "[    .    1    .    2]" 
       2 30 PHE 4.244 0.118 19 0 "[    .    1    .    2]" 
       2 31 GLY 0.375 0.080 18 0 "[    .    1    .    2]" 
       2 32 VAL 0.197 0.067  5 0 "[    .    1    .    2]" 
       2 33 SER 0.269 0.067  5 0 "[    .    1    .    2]" 
       2 34 ALA 0.023 0.010  2 0 "[    .    1    .    2]" 
       2 35 ALA 0.045 0.016 11 0 "[    .    1    .    2]" 
       2 36 ALA 0.891 0.141 19 0 "[    .    1    .    2]" 
       2 37 ALA 0.000 0.000  . 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  1 SER H1   1  1 SER HA   . . 2.800 2.209 2.208 2.211     .  0 0 "[    .    1    .    2]" 1 
         2 1  1 SER H1   1  1 SER QB   . . 3.710 2.946 2.699 3.226     .  0 0 "[    .    1    .    2]" 1 
         3 1  1 SER H1   1  2 ILE H    . . 3.240 3.342 3.326 3.346 0.106  9 0 "[    .    1    .    2]" 1 
         4 1  1 SER HA   1  2 ILE H    . . 2.620 2.473 2.469 2.493     .  0 0 "[    .    1    .    2]" 1 
         5 1  2 ILE H    1  2 ILE HB   . . 2.740 2.617 2.563 2.663     .  0 0 "[    .    1    .    2]" 1 
         6 1  2 ILE H    1  2 ILE HG12 . . 3.330 3.337 2.170 3.423 0.093 17 0 "[    .    1    .    2]" 1 
         7 1  2 ILE H    1  2 ILE HG13 . . 3.330 2.337 2.206 3.432 0.102 18 0 "[    .    1    .    2]" 1 
         8 1  2 ILE H    1  2 ILE QG   . . 3.040 2.242 2.147 2.307     .  0 0 "[    .    1    .    2]" 1 
         9 1  2 ILE H    1  2 ILE MD   . . 5.660 3.774 3.605 3.859     .  0 0 "[    .    1    .    2]" 1 
        10 1  2 ILE H    1  3 THR H    . . 3.390 3.427 3.410 3.456 0.066 12 0 "[    .    1    .    2]" 1 
        11 1  2 ILE HA   1  3 THR H    . . 2.590 2.583 2.558 2.610 0.020 18 0 "[    .    1    .    2]" 1 
        12 1  2 ILE HB   1  3 THR H    . . 4.630 4.480 4.471 4.490     .  0 0 "[    .    1    .    2]" 1 
        13 1  2 ILE MG   1  3 THR H    . . 4.920 4.013 3.946 4.075     .  0 0 "[    .    1    .    2]" 1 
        14 1  3 THR H    1  3 THR HA   . . 2.930 2.901 2.862 2.934 0.004 20 0 "[    .    1    .    2]" 1 
        15 1  3 THR H    1  3 THR MG   . . 4.080 2.345 1.982 2.527     .  0 0 "[    .    1    .    2]" 1 
        16 1  3 THR H    1  6 GLN QB   . . 4.760 2.349 2.114 2.785     .  0 0 "[    .    1    .    2]" 1 
        17 1  3 THR H    1  6 GLN QG   . . 4.450 2.839 2.612 3.459     .  0 0 "[    .    1    .    2]" 1 
        18 1  3 THR HA   1  4 LYS H    . . 2.710 2.391 2.382 2.422     .  0 0 "[    .    1    .    2]" 1 
        19 1  3 THR HA   1  5 ASP H    . . 4.320 4.354 4.206 4.412 0.092 19 0 "[    .    1    .    2]" 1 
        20 1  3 THR HB   1  4 LYS H    . . 2.710 2.693 2.653 2.733 0.023  7 0 "[    .    1    .    2]" 1 
        21 1  3 THR HB   1  5 ASP H    . . 2.930 2.942 2.804 3.032 0.102  7 0 "[    .    1    .    2]" 1 
        22 1  3 THR MG   1  4 LYS H    . . 6.280 3.858 3.766 4.081     .  0 0 "[    .    1    .    2]" 1 
        23 1  3 THR MG   1  5 ASP H    . . 6.530 4.526 4.385 4.607     .  0 0 "[    .    1    .    2]" 1 
        24 1  4 LYS H    1  4 LYS HB2  . . 2.930 2.171 2.067 2.217     .  0 0 "[    .    1    .    2]" 1 
        25 1  4 LYS H    1  4 LYS HB3  . . 3.420 3.456 3.372 3.483 0.063  5 0 "[    .    1    .    2]" 1 
        26 1  4 LYS H    1  5 ASP H    . . 3.390 2.736 2.619 2.796     .  0 0 "[    .    1    .    2]" 1 
        27 1  4 LYS H    2 14 MET ME   . . 6.160 5.042 4.685 5.216     .  0 0 "[    .    1    .    2]" 1 
        28 1  4 LYS HA   1  7 ILE H    . . 4.010 3.464 3.367 3.563     .  0 0 "[    .    1    .    2]" 1 
        29 1  4 LYS HB2  1  5 ASP H    . . 3.270 2.891 2.797 3.145     .  0 0 "[    .    1    .    2]" 1 
        30 1  4 LYS HB3  1  5 ASP H    . . 3.300 3.418 3.403 3.432 0.132 16 0 "[    .    1    .    2]" 1 
        31 1  4 LYS HB3  2 22 LEU H    . . 4.600 4.696 4.670 4.711 0.111 16 0 "[    .    1    .    2]" 1 
        32 1  4 LYS QG   1  5 ASP H    . . 6.380 4.483 4.348 4.665     .  0 0 "[    .    1    .    2]" 1 
        33 1  4 LYS QD   1  5 ASP H    . . 6.380 4.844 4.324 5.495     .  0 0 "[    .    1    .    2]" 1 
        34 1  4 LYS QD   2 22 LEU H    . . 6.380 3.952 2.650 5.487     .  0 0 "[    .    1    .    2]" 1 
        35 1  5 ASP H    1  5 ASP HA   . . 2.900 2.738 2.723 2.753     .  0 0 "[    .    1    .    2]" 1 
        36 1  5 ASP H    1  5 ASP HB2  . . 2.680 2.283 2.161 2.756 0.076 14 0 "[    .    1    .    2]" 1 
        37 1  5 ASP H    1  5 ASP HB3  . . 3.390 3.494 3.456 3.525 0.135 14 0 "[    .    1    .    2]" 1 
        38 1  5 ASP H    1  6 GLN H    . . 2.740 2.713 2.659 2.746 0.006 11 0 "[    .    1    .    2]" 1 
        39 1  5 ASP HA   1  7 ILE H    . . 4.010 3.889 3.824 3.985     .  0 0 "[    .    1    .    2]" 1 
        40 1  5 ASP HA   1  8 ILE H    . . 3.980 3.113 3.015 3.228     .  0 0 "[    .    1    .    2]" 1 
        41 1  5 ASP HB2  1  6 GLN H    . . 3.950 2.626 2.468 2.747     .  0 0 "[    .    1    .    2]" 1 
        42 1  5 ASP HB3  1  6 GLN H    . . 4.450 3.388 3.239 3.875     .  0 0 "[    .    1    .    2]" 1 
        43 1  6 GLN H    1  6 GLN QG   . . 3.960 2.851 2.548 3.606     .  0 0 "[    .    1    .    2]" 1 
        44 1  6 GLN H    1  7 ILE H    . . 3.080 2.729 2.672 2.808     .  0 0 "[    .    1    .    2]" 1 
        45 1  6 GLN HA   1  7 ILE H    . . 3.520 3.529 3.513 3.547 0.027 10 0 "[    .    1    .    2]" 1 
        46 1  6 GLN HA   1  9 GLU H    . . 3.580 3.599 3.483 3.674 0.094 11 0 "[    .    1    .    2]" 1 
        47 1  6 GLN QB   1  8 ILE H    . . 5.350 4.762 4.710 4.795     .  0 0 "[    .    1    .    2]" 1 
        48 1  6 GLN QG   1  7 ILE H    . . 5.630 4.572 4.459 4.807     .  0 0 "[    .    1    .    2]" 1 
        49 1  7 ILE H    1  7 ILE HB   . . 2.550 2.337 2.229 2.429     .  0 0 "[    .    1    .    2]" 1 
        50 1  7 ILE H    1  8 ILE H    . . 3.480 2.370 2.304 2.447     .  0 0 "[    .    1    .    2]" 1 
        51 1  7 ILE HB   1  8 ILE H    . . 3.170 2.956 2.866 3.022     .  0 0 "[    .    1    .    2]" 1 
        52 1  8 ILE H    1  8 ILE HB   . . 2.620 2.431 2.367 2.486     .  0 0 "[    .    1    .    2]" 1 
        53 1  8 ILE H    1  8 ILE HG12 . . 3.140 2.537 1.916 3.225 0.085  5 0 "[    .    1    .    2]" 1 
        54 1  8 ILE H    1  8 ILE HG13 . . 4.040 2.813 1.997 3.558     .  0 0 "[    .    1    .    2]" 1 
        55 1  8 ILE H    1  9 GLU H    . . 3.020 2.752 2.694 2.820     .  0 0 "[    .    1    .    2]" 1 
        56 1  8 ILE H    2 25 ALA MB   . . 6.120 5.097 4.983 5.150     .  0 0 "[    .    1    .    2]" 1 
        57 1  8 ILE HA   1 11 VAL H    . . 4.510 3.431 3.274 3.614     .  0 0 "[    .    1    .    2]" 1 
        58 1  8 ILE HA   2 30 PHE QE   . . 7.620 3.551 2.949 4.025     .  0 0 "[    .    1    .    2]" 1 
        59 1  8 ILE HB   1  9 GLU H    . . 2.740 2.586 2.495 2.671     .  0 0 "[    .    1    .    2]" 1 
        60 1  8 ILE MG   1  9 GLU H    . . 5.010 3.409 3.319 3.510     .  0 0 "[    .    1    .    2]" 1 
        61 1  8 ILE MG   2 26 MET H    . . 5.660 4.136 3.859 4.439     .  0 0 "[    .    1    .    2]" 1 
        62 1  8 ILE MG   2 30 PHE H    . . 6.530 4.656 4.169 5.107     .  0 0 "[    .    1    .    2]" 1 
        63 1  8 ILE MG   2 30 PHE QD   . . 8.650 3.788 3.202 4.416     .  0 0 "[    .    1    .    2]" 1 
        64 1  8 ILE MG   2 30 PHE QE   . . 7.940 2.660 2.207 3.133     .  0 0 "[    .    1    .    2]" 1 
        65 1  8 ILE MG   2 30 PHE HZ   . . 5.160 3.969 3.513 4.224     .  0 0 "[    .    1    .    2]" 1 
        66 1  8 ILE MD   1  9 GLU H    . . 5.910 4.608 4.500 4.704     .  0 0 "[    .    1    .    2]" 1 
        67 1  8 ILE MD   2 25 ALA H    . . 6.530 4.033 3.600 4.436     .  0 0 "[    .    1    .    2]" 1 
        68 1  8 ILE MD   2 26 MET H    . . 5.190 2.869 2.427 3.288     .  0 0 "[    .    1    .    2]" 1 
        69 1  8 ILE MD   2 27 GLU H    . . 6.530 5.086 4.800 5.317     .  0 0 "[    .    1    .    2]" 1 
        70 1  8 ILE MD   2 29 LYS H    . . 6.530 4.811 4.196 5.352     .  0 0 "[    .    1    .    2]" 1 
        71 1  8 ILE MD   2 30 PHE QD   . . 8.650 4.765 4.330 5.092     .  0 0 "[    .    1    .    2]" 1 
        72 1  8 ILE MD   2 30 PHE QE   . . 8.650 4.214 3.649 4.907     .  0 0 "[    .    1    .    2]" 1 
        73 1  9 GLU H    1  9 GLU HA   . . 2.900 2.791 2.765 2.815     .  0 0 "[    .    1    .    2]" 1 
        74 1  9 GLU H    1  9 GLU QB   . . 3.680 2.333 2.168 2.480     .  0 0 "[    .    1    .    2]" 1 
        75 1  9 GLU H    1  9 GLU HG2  . . 5.470 3.156 2.094 4.003     .  0 0 "[    .    1    .    2]" 1 
        76 1  9 GLU H    1  9 GLU HG3  . . 5.470 2.655 2.221 3.685     .  0 0 "[    .    1    .    2]" 1 
        77 1  9 GLU H    1  9 GLU QG   . . 5.120 2.376 2.065 2.825     .  0 0 "[    .    1    .    2]" 1 
        78 1  9 GLU H    1 10 ALA H    . . 3.240 2.598 2.535 2.654     .  0 0 "[    .    1    .    2]" 1 
        79 1  9 GLU HA   1 10 ALA H    . . 3.390 3.450 3.393 3.484 0.094 10 0 "[    .    1    .    2]" 1 
        80 1  9 GLU HA   1 12 ALA H    . . 3.580 3.161 3.020 3.307     .  0 0 "[    .    1    .    2]" 1 
        81 1  9 GLU QB   1 10 ALA H    . . 4.080 3.339 3.102 3.794     .  0 0 "[    .    1    .    2]" 1 
        82 1  9 GLU QB   1 11 VAL H    . . 5.910 5.069 4.849 5.346     .  0 0 "[    .    1    .    2]" 1 
        83 1 10 ALA H    1 10 ALA MB   . . 3.550 2.118 1.975 2.193     .  0 0 "[    .    1    .    2]" 1 
        84 1 10 ALA H    1 11 VAL H    . . 2.930 2.438 2.392 2.478     .  0 0 "[    .    1    .    2]" 1 
        85 1 10 ALA H    1 11 VAL HB   . . 4.320 4.417 4.399 4.433 0.113  8 0 "[    .    1    .    2]" 1 
        86 1 10 ALA H    1 11 VAL MG2  . . 5.810 4.164 4.044 4.271     .  0 0 "[    .    1    .    2]" 1 
        87 1 10 ALA HA   1 11 VAL H    . . 3.580 3.594 3.556 3.617 0.037 10 0 "[    .    1    .    2]" 1 
        88 1 10 ALA HA   1 13 ALA H    . . 4.170 3.631 3.411 4.094     .  0 0 "[    .    1    .    2]" 1 
        89 1 10 ALA MB   1 11 VAL H    . . 3.950 2.676 2.535 2.851     .  0 0 "[    .    1    .    2]" 1 
        90 1 11 VAL H    1 11 VAL HB   . . 2.710 2.227 2.195 2.264     .  0 0 "[    .    1    .    2]" 1 
        91 1 11 VAL H    1 11 VAL MG1  . . 4.480 3.651 3.633 3.670     .  0 0 "[    .    1    .    2]" 1 
        92 1 11 VAL H    1 11 VAL MG2  . . 4.020 2.465 2.253 2.639     .  0 0 "[    .    1    .    2]" 1 
        93 1 11 VAL H    1 12 ALA H    . . 2.930 2.446 2.290 2.580     .  0 0 "[    .    1    .    2]" 1 
        94 1 11 VAL H    1 14 MET ME   . . 6.530 5.358 5.108 5.504     .  0 0 "[    .    1    .    2]" 1 
        95 1 11 VAL H    2 22 LEU QD   . . 8.100 5.604 5.240 5.999     .  0 0 "[    .    1    .    2]" 1 
        96 1 11 VAL H    2 26 MET HG2  . . 5.130 5.245 5.225 5.269 0.139 19 0 "[    .    1    .    2]" 1 
        97 1 11 VAL H    2 26 MET ME   . . 6.530 3.723 3.212 4.613     .  0 0 "[    .    1    .    2]" 1 
        98 1 11 VAL HA   1 13 ALA H    . . 4.170 3.406 3.268 3.511     .  0 0 "[    .    1    .    2]" 1 
        99 1 11 VAL HA   1 14 MET H    . . 3.550 3.406 3.153 3.588 0.038  8 0 "[    .    1    .    2]" 1 
       100 1 11 VAL HB   1 12 ALA H    . . 3.360 3.128 3.006 3.260     .  0 0 "[    .    1    .    2]" 1 
       101 1 11 VAL HB   2 30 PHE QE   . . 7.620 2.861 2.610 3.097     .  0 0 "[    .    1    .    2]" 1 
       102 1 11 VAL MG1  1 12 ALA H    . . 4.880 3.623 3.477 3.748     .  0 0 "[    .    1    .    2]" 1 
       103 1 11 VAL MG1  1 13 ALA H    . . 6.530 4.438 4.317 4.546     .  0 0 "[    .    1    .    2]" 1 
       104 1 11 VAL MG1  2 30 PHE QD   . . 8.650 3.795 3.687 3.978     .  0 0 "[    .    1    .    2]" 1 
       105 1 11 VAL MG1  2 30 PHE QE   . . 8.530 2.689 2.562 2.882     .  0 0 "[    .    1    .    2]" 1 
       106 1 11 VAL MG1  2 30 PHE HZ   . . 6.530 2.304 2.183 2.439     .  0 0 "[    .    1    .    2]" 1 
       107 1 11 VAL MG2  1 12 ALA H    . . 6.190 4.166 4.105 4.232     .  0 0 "[    .    1    .    2]" 1 
       108 1 11 VAL MG2  2 30 PHE QE   . . 8.650 4.051 3.700 4.315     .  0 0 "[    .    1    .    2]" 1 
       109 1 11 VAL MG2  2 30 PHE HZ   . . 6.530 4.429 4.094 4.650     .  0 0 "[    .    1    .    2]" 1 
       110 1 12 ALA H    1 12 ALA MB   . . 3.430 2.178 2.060 2.256     .  0 0 "[    .    1    .    2]" 1 
       111 1 12 ALA H    1 13 ALA H    . . 3.170 2.518 2.397 2.643     .  0 0 "[    .    1    .    2]" 1 
       112 1 12 ALA H    2 26 MET ME   . . 6.530 5.205 4.887 5.308     .  0 0 "[    .    1    .    2]" 1 
       113 1 12 ALA H    2 30 PHE HZ   . . 5.500 2.814 2.582 2.991     .  0 0 "[    .    1    .    2]" 1 
       114 1 12 ALA HA   1 13 ALA H    . . 3.640 3.251 3.155 3.330     .  0 0 "[    .    1    .    2]" 1 
       115 1 12 ALA HA   1 14 MET H    . . 4.350 3.993 3.856 4.114     .  0 0 "[    .    1    .    2]" 1 
       116 1 12 ALA HA   2 30 PHE HZ   . . 5.500 2.522 2.254 2.930     .  0 0 "[    .    1    .    2]" 1 
       117 1 12 ALA MB   2 30 PHE QE   . . 8.650 2.795 2.550 3.025     .  0 0 "[    .    1    .    2]" 1 
       118 1 12 ALA MB   2 30 PHE HZ   . . 6.250 2.179 2.086 2.321     .  0 0 "[    .    1    .    2]" 1 
       119 1 13 ALA H    1 13 ALA MB   . . 3.490 2.291 2.188 2.368     .  0 0 "[    .    1    .    2]" 1 
       120 1 13 ALA H    1 14 MET H    . . 2.800 2.021 1.914 2.131     .  0 0 "[    .    1    .    2]" 1 
       121 1 13 ALA H    1 14 MET HB2  . . 4.510 4.206 4.051 4.341     .  0 0 "[    .    1    .    2]" 1 
       122 1 13 ALA HA   1 14 MET H    . . 3.520 3.530 3.503 3.549 0.029  1 0 "[    .    1    .    2]" 1 
       123 1 14 MET H    1 14 MET HB2  . . 2.710 2.414 2.342 2.489     .  0 0 "[    .    1    .    2]" 1 
       124 1 14 MET H    1 14 MET HB3  . . 3.580 3.588 3.557 3.627 0.047  3 0 "[    .    1    .    2]" 1 
       125 1 14 MET H    1 14 MET HG2  . . 4.660 3.945 3.632 4.184     .  0 0 "[    .    1    .    2]" 1 
       126 1 14 MET H    1 14 MET HG3  . . 3.610 2.702 2.389 3.107     .  0 0 "[    .    1    .    2]" 1 
       127 1 14 MET H    1 14 MET ME   . . 6.530 4.386 4.046 4.690     .  0 0 "[    .    1    .    2]" 1 
       128 1 14 MET H    1 15 SER H    . . 4.850 4.554 4.528 4.571     .  0 0 "[    .    1    .    2]" 1 
       129 1 14 MET H    1 19 VAL MG2  . . 6.190 3.897 3.571 4.264     .  0 0 "[    .    1    .    2]" 1 
       130 1 14 MET HA   1 15 SER H    . . 2.550 2.570 2.545 2.601 0.051  5 0 "[    .    1    .    2]" 1 
       131 1 14 MET HB2  1 15 SER H    . . 3.450 3.509 3.422 3.540 0.090  7 0 "[    .    1    .    2]" 1 
       132 1 14 MET HB3  1 15 SER H    . . 2.990 2.326 2.252 2.381     .  0 0 "[    .    1    .    2]" 1 
       133 1 14 MET HG2  1 15 SER H    . . 4.320 4.173 4.079 4.359 0.039  3 0 "[    .    1    .    2]" 1 
       134 1 14 MET ME   2  4 LYS H    . . 6.160 5.062 4.918 5.237     .  0 0 "[    .    1    .    2]" 1 
       135 1 15 SER H    1 15 SER HB2  . . 3.330 3.421 3.418 3.424 0.094 16 0 "[    .    1    .    2]" 1 
       136 1 15 SER H    1 15 SER HB3  . . 3.110 3.112 3.055 3.143 0.033  7 0 "[    .    1    .    2]" 1 
       137 1 15 SER H    1 16 VAL H    . . 4.880 4.621 4.602 4.645     .  0 0 "[    .    1    .    2]" 1 
       138 1 15 SER H    1 18 ASP HB2  . . 3.830 2.988 2.614 3.296     .  0 0 "[    .    1    .    2]" 1 
       139 1 15 SER H    1 18 ASP HB3  . . 3.170 2.858 2.488 3.229 0.059 15 0 "[    .    1    .    2]" 1 
       140 1 15 SER H    1 19 VAL MG2  . . 6.530 4.139 3.852 4.494     .  0 0 "[    .    1    .    2]" 1 
       141 1 15 SER HA   1 16 VAL H    . . 2.550 2.504 2.463 2.550     .  0 0 "[    .    1    .    2]" 1 
       142 1 15 SER HB2  1 16 VAL H    . . 3.110 2.561 2.452 2.660     .  0 0 "[    .    1    .    2]" 1 
       143 1 15 SER HB3  1 16 VAL H    . . 3.420 3.393 3.335 3.449 0.029  9 0 "[    .    1    .    2]" 1 
       144 1 15 SER HB3  1 17 MET H    . . 4.260 4.279 4.162 4.337 0.077 10 0 "[    .    1    .    2]" 1 
       145 1 16 VAL H    1 16 VAL HB   . . 2.710 2.367 2.308 2.477     .  0 0 "[    .    1    .    2]" 1 
       146 1 16 VAL H    1 16 VAL MG1  . . 4.790 3.691 3.680 3.701     .  0 0 "[    .    1    .    2]" 1 
       147 1 16 VAL H    1 16 VAL MG2  . . 4.200 2.129 1.991 2.278     .  0 0 "[    .    1    .    2]" 1 
       148 1 16 VAL H    1 17 MET H    . . 3.270 2.729 2.636 2.781     .  0 0 "[    .    1    .    2]" 1 
       149 1 16 VAL HA   1 19 VAL H    . . 3.450 3.354 3.245 3.465 0.015 14 0 "[    .    1    .    2]" 1 
       150 1 16 VAL HB   1 17 MET H    . . 2.930 2.638 2.589 2.713     .  0 0 "[    .    1    .    2]" 1 
       151 1 16 VAL MG1  1 17 MET H    . . 4.980 3.392 3.273 3.577     .  0 0 "[    .    1    .    2]" 1 
       152 1 16 VAL MG2  1 17 MET H    . . 6.530 3.924 3.826 4.000     .  0 0 "[    .    1    .    2]" 1 
       153 1 16 VAL MG2  1 18 ASP H    . . 6.530 5.474 5.407 5.494     .  0 0 "[    .    1    .    2]" 1 
       154 1 16 VAL MG2  2 30 PHE QD   . . 8.650 5.187 4.707 5.625     .  0 0 "[    .    1    .    2]" 1 
       155 1 16 VAL MG2  2 30 PHE QE   . . 8.650 5.198 4.813 5.578     .  0 0 "[    .    1    .    2]" 1 
       156 1 17 MET H    1 17 MET HA   . . 2.830 2.743 2.714 2.766     .  0 0 "[    .    1    .    2]" 1 
       157 1 17 MET H    1 17 MET HB2  . . 2.710 2.126 2.104 2.185     .  0 0 "[    .    1    .    2]" 1 
       158 1 17 MET H    1 17 MET HG2  . . 5.500 3.542 2.735 4.146     .  0 0 "[    .    1    .    2]" 1 
       159 1 17 MET H    1 17 MET HG3  . . 3.700 3.338 2.684 3.723 0.023  9 0 "[    .    1    .    2]" 1 
       160 1 17 MET H    1 18 ASP H    . . 2.930 2.800 2.740 2.866     .  0 0 "[    .    1    .    2]" 1 
       161 1 17 MET HA   1 20 VAL H    . . 3.830 3.137 3.051 3.275     .  0 0 "[    .    1    .    2]" 1 
       162 1 17 MET HB3  1 18 ASP H    . . 3.110 3.201 3.186 3.222 0.112 17 0 "[    .    1    .    2]" 1 
       163 1 18 ASP H    1 18 ASP HB2  . . 3.240 2.318 2.075 2.487     .  0 0 "[    .    1    .    2]" 1 
       164 1 18 ASP H    1 18 ASP HB3  . . 2.930 2.614 2.422 2.942 0.012  2 0 "[    .    1    .    2]" 1 
       165 1 18 ASP H    1 19 VAL H    . . 3.270 2.633 2.593 2.697     .  0 0 "[    .    1    .    2]" 1 
       166 1 18 ASP H    1 19 VAL MG2  . . 6.220 4.054 3.845 4.291     .  0 0 "[    .    1    .    2]" 1 
       167 1 18 ASP HA   1 21 GLU H    . . 4.040 3.601 3.467 3.695     .  0 0 "[    .    1    .    2]" 1 
       168 1 18 ASP HB2  1 19 VAL H    . . 4.290 3.896 3.532 4.092     .  0 0 "[    .    1    .    2]" 1 
       169 1 18 ASP HB3  1 19 VAL H    . . 3.480 2.860 2.712 2.993     .  0 0 "[    .    1    .    2]" 1 
       170 1 19 VAL H    1 19 VAL HB   . . 2.680 2.304 2.192 2.423     .  0 0 "[    .    1    .    2]" 1 
       171 1 19 VAL H    1 19 VAL MG2  . . 4.170 2.371 2.164 2.622     .  0 0 "[    .    1    .    2]" 1 
       172 1 19 VAL H    1 20 VAL H    . . 3.300 2.370 2.292 2.423     .  0 0 "[    .    1    .    2]" 1 
       173 1 19 VAL H    1 20 VAL MG1  . . 6.530 5.534 5.485 5.567     .  0 0 "[    .    1    .    2]" 1 
       174 1 19 VAL H    1 20 VAL MG2  . . 6.340 4.048 3.851 4.175     .  0 0 "[    .    1    .    2]" 1 
       175 1 19 VAL HA   1 22 LEU H    . . 3.580 3.266 3.113 3.461     .  0 0 "[    .    1    .    2]" 1 
       176 1 19 VAL HA   1 23 ILE H    . . 3.980 3.819 3.598 4.035 0.055  2 0 "[    .    1    .    2]" 1 
       177 1 19 VAL HB   1 20 VAL H    . . 2.990 2.909 2.682 3.001 0.011  1 0 "[    .    1    .    2]" 1 
       178 1 19 VAL MG2  1 20 VAL H    . . 5.630 4.016 3.902 4.132     .  0 0 "[    .    1    .    2]" 1 
       179 1 19 VAL MG2  2 30 PHE QE   . . 8.650 4.454 3.081 4.834     .  0 0 "[    .    1    .    2]" 1 
       180 1 19 VAL MG2  2 30 PHE HZ   . . 5.910 4.685 3.923 4.896     .  0 0 "[    .    1    .    2]" 1 
       181 1 20 VAL H    1 20 VAL HB   . . 2.740 2.211 2.147 2.268     .  0 0 "[    .    1    .    2]" 1 
       182 1 20 VAL H    1 20 VAL MG1  . . 4.570 3.642 3.605 3.668     .  0 0 "[    .    1    .    2]" 1 
       183 1 20 VAL H    1 20 VAL MG2  . . 3.990 2.406 2.267 2.592     .  0 0 "[    .    1    .    2]" 1 
       184 1 20 VAL H    1 21 GLU H    . . 3.140 2.667 2.550 2.785     .  0 0 "[    .    1    .    2]" 1 
       185 1 20 VAL H    1 23 ILE HB   . . 5.250 5.193 4.976 5.316 0.066 18 0 "[    .    1    .    2]" 1 
       186 1 20 VAL HA   1 23 ILE H    . . 3.920 3.771 3.601 3.878     .  0 0 "[    .    1    .    2]" 1 
       187 1 20 VAL HB   1 21 GLU H    . . 2.900 2.710 2.505 2.910 0.010 13 0 "[    .    1    .    2]" 1 
       188 1 20 VAL MG1  1 21 GLU H    . . 5.320 3.136 2.857 3.345     .  0 0 "[    .    1    .    2]" 1 
       189 1 20 VAL MG2  1 21 GLU H    . . 5.470 4.053 3.975 4.150     .  0 0 "[    .    1    .    2]" 1 
       190 1 21 GLU H    1 21 GLU HB2  . . 2.900 2.245 2.150 2.309     .  0 0 "[    .    1    .    2]" 1 
       191 1 21 GLU H    1 21 GLU HB3  . . 3.420 3.498 3.448 3.527 0.107  4 0 "[    .    1    .    2]" 1 
       192 1 21 GLU H    1 22 LEU H    . . 2.860 2.726 2.602 2.802     .  0 0 "[    .    1    .    2]" 1 
       193 1 21 GLU H    1 22 LEU QD   . . 7.940 5.532 5.417 5.619     .  0 0 "[    .    1    .    2]" 1 
       194 1 21 GLU HA   1 22 LEU H    . . 3.580 3.619 3.610 3.630 0.050 19 0 "[    .    1    .    2]" 1 
       195 1 21 GLU HA   1 24 SER H    . . 3.670 3.504 3.323 3.625     .  0 0 "[    .    1    .    2]" 1 
       196 1 21 GLU HB2  1 22 LEU H    . . 3.300 2.698 2.589 2.784     .  0 0 "[    .    1    .    2]" 1 
       197 1 21 GLU HB3  1 22 LEU H    . . 3.580 3.378 3.189 3.534     .  0 0 "[    .    1    .    2]" 1 
       198 1 22 LEU H    1 22 LEU HA   . . 2.830 2.760 2.751 2.769     .  0 0 "[    .    1    .    2]" 1 
       199 1 22 LEU H    1 22 LEU HB2  . . 2.930 2.350 2.259 2.434     .  0 0 "[    .    1    .    2]" 1 
       200 1 22 LEU H    1 22 LEU HB3  . . 2.960 2.520 2.432 2.622     .  0 0 "[    .    1    .    2]" 1 
       201 1 22 LEU H    1 22 LEU HG   . . 5.130 4.414 4.333 4.518     .  0 0 "[    .    1    .    2]" 1 
       202 1 22 LEU H    1 22 LEU MD1  . . 5.780 4.003 3.814 4.147     .  0 0 "[    .    1    .    2]" 1 
       203 1 22 LEU H    1 22 LEU MD2  . . 5.780 4.183 4.023 4.263     .  0 0 "[    .    1    .    2]" 1 
       204 1 22 LEU H    1 23 ILE H    . . 3.080 2.984 2.910 3.028     .  0 0 "[    .    1    .    2]" 1 
       205 1 22 LEU H    2  4 LYS HB3  . . 4.600 4.699 4.684 4.715 0.115 17 0 "[    .    1    .    2]" 1 
       206 1 22 LEU H    2  4 LYS QD   . . 6.380 4.183 2.829 5.527     .  0 0 "[    .    1    .    2]" 1 
       207 1 22 LEU HA   1 25 ALA H    . . 4.070 3.356 3.181 3.500     .  0 0 "[    .    1    .    2]" 1 
       208 1 22 LEU HB2  1 23 ILE H    . . 3.610 3.693 3.648 3.712 0.102 14 0 "[    .    1    .    2]" 1 
       209 1 22 LEU HG   1 23 ILE H    . . 4.260 3.915 3.561 4.358 0.098  9 0 "[    .    1    .    2]" 1 
       210 1 22 LEU QD   1 23 ILE H    . . 7.260 3.134 2.477 3.592     .  0 0 "[    .    1    .    2]" 1 
       211 1 22 LEU QD   1 25 ALA H    . . 8.040 4.671 3.789 5.065     .  0 0 "[    .    1    .    2]" 1 
       212 1 22 LEU QD   2 11 VAL H    . . 8.100 5.575 5.249 6.010     .  0 0 "[    .    1    .    2]" 1 
       213 1 23 ILE H    1 23 ILE HB   . . 2.490 2.303 2.134 2.383     .  0 0 "[    .    1    .    2]" 1 
       214 1 23 ILE H    1 23 ILE MG   . . 4.730 3.674 3.581 3.700     .  0 0 "[    .    1    .    2]" 1 
       215 1 23 ILE H    1 23 ILE HG12 . . 3.730 2.842 2.141 3.820 0.090 14 0 "[    .    1    .    2]" 1 
       216 1 23 ILE H    1 23 ILE MD   . . 5.230 3.283 2.008 3.703     .  0 0 "[    .    1    .    2]" 1 
       217 1 23 ILE H    1 24 SER H    . . 3.080 2.832 2.702 2.922     .  0 0 "[    .    1    .    2]" 1 
       218 1 23 ILE HA   1 26 MET H    . . 3.920 3.718 3.490 3.944 0.024 15 0 "[    .    1    .    2]" 1 
       219 1 23 ILE HB   1 24 SER H    . . 2.930 2.832 2.667 2.945 0.015 17 0 "[    .    1    .    2]" 1 
       220 1 23 ILE MG   1 24 SER H    . . 4.920 3.265 2.808 3.439     .  0 0 "[    .    1    .    2]" 1 
       221 1 23 ILE MG   1 27 GLU H    . . 6.500 3.962 3.734 4.176     .  0 0 "[    .    1    .    2]" 1 
       222 1 23 ILE HG13 1 24 SER H    . . 5.310 4.923 4.454 5.290     .  0 0 "[    .    1    .    2]" 1 
       223 1 24 SER H    1 24 SER HB2  . . 3.450 2.176 2.142 2.220     .  0 0 "[    .    1    .    2]" 1 
       224 1 24 SER H    1 24 SER HB3  . . 3.450 3.465 3.443 3.489 0.039 14 0 "[    .    1    .    2]" 1 
       225 1 24 SER H    1 24 SER QB   . . 3.030 2.155 2.122 2.196     .  0 0 "[    .    1    .    2]" 1 
       226 1 24 SER H    1 25 ALA H    . . 2.960 2.650 2.524 2.750     .  0 0 "[    .    1    .    2]" 1 
       227 1 24 SER HA   1 25 ALA H    . . 3.550 3.593 3.581 3.605 0.055  1 0 "[    .    1    .    2]" 1 
       228 1 24 SER HA   1 27 GLU H    . . 3.760 3.551 3.433 3.652     .  0 0 "[    .    1    .    2]" 1 
       229 1 24 SER HB2  1 25 ALA H    . . 3.360 2.890 2.812 2.985     .  0 0 "[    .    1    .    2]" 1 
       230 1 24 SER HB3  1 25 ALA H    . . 3.360 3.452 3.409 3.477 0.117  7 0 "[    .    1    .    2]" 1 
       231 1 24 SER QB   1 25 ALA H    . . 3.070 2.751 2.691 2.816     .  0 0 "[    .    1    .    2]" 1 
       232 1 25 ALA H    1 25 ALA HA   . . 2.770 2.788 2.776 2.801 0.031  9 0 "[    .    1    .    2]" 1 
       233 1 25 ALA H    1 25 ALA MB   . . 3.640 2.072 1.939 2.161     .  0 0 "[    .    1    .    2]" 1 
       234 1 25 ALA H    1 26 MET H    . . 3.020 2.887 2.794 2.993     .  0 0 "[    .    1    .    2]" 1 
       235 1 25 ALA H    2  8 ILE MD   . . 6.530 4.011 3.658 4.458     .  0 0 "[    .    1    .    2]" 1 
       236 1 25 ALA HA   1 28 GLU H    . . 3.610 3.642 3.601 3.689 0.079  5 0 "[    .    1    .    2]" 1 
       237 1 25 ALA MB   1 26 MET H    . . 3.950 2.244 2.024 2.499     .  0 0 "[    .    1    .    2]" 1 
       238 1 25 ALA MB   1 28 GLU H    . . 6.530 4.672 4.600 4.747     .  0 0 "[    .    1    .    2]" 1 
       239 1 25 ALA MB   2  8 ILE H    . . 6.120 5.090 4.949 5.164     .  0 0 "[    .    1    .    2]" 1 
       240 1 26 MET H    1 26 MET HB2  . . 3.240 2.385 2.342 2.418     .  0 0 "[    .    1    .    2]" 1 
       241 1 26 MET H    1 26 MET HG2  . . 3.520 3.395 3.267 3.493     .  0 0 "[    .    1    .    2]" 1 
       242 1 26 MET H    1 26 MET HG3  . . 3.170 2.150 2.084 2.226     .  0 0 "[    .    1    .    2]" 1 
       243 1 26 MET H    1 26 MET ME   . . 6.530 4.206 3.950 4.578     .  0 0 "[    .    1    .    2]" 1 
       244 1 26 MET H    1 27 GLU H    . . 2.860 2.859 2.815 2.886 0.026  2 0 "[    .    1    .    2]" 1 
       245 1 26 MET H    2  8 ILE MG   . . 5.660 4.212 3.810 4.646     .  0 0 "[    .    1    .    2]" 1 
       246 1 26 MET H    2  8 ILE MD   . . 5.190 2.797 2.472 3.337     .  0 0 "[    .    1    .    2]" 1 
       247 1 26 MET HA   1 29 LYS H    . . 3.550 3.335 3.174 3.470     .  0 0 "[    .    1    .    2]" 1 
       248 1 26 MET HA   1 30 PHE H    . . 3.730 3.093 3.013 3.150     .  0 0 "[    .    1    .    2]" 1 
       249 1 26 MET HA   1 30 PHE QD   . . 7.620 2.372 2.207 2.911     .  0 0 "[    .    1    .    2]" 1 
       250 1 26 MET HA   1 30 PHE QE   . . 7.620 3.390 3.162 3.893     .  0 0 "[    .    1    .    2]" 1 
       251 1 26 MET HB2  1 27 GLU H    . . 3.480 2.650 2.554 2.795     .  0 0 "[    .    1    .    2]" 1 
       252 1 26 MET HG2  1 30 PHE H    . . 4.850 4.964 4.955 4.975 0.125  4 0 "[    .    1    .    2]" 1 
       253 1 26 MET HG2  1 30 PHE QD   . . 7.620 3.064 2.927 3.366     .  0 0 "[    .    1    .    2]" 1 
       254 1 26 MET HG2  1 30 PHE QE   . . 7.620 2.247 2.129 2.904     .  0 0 "[    .    1    .    2]" 1 
       255 1 26 MET HG2  2 11 VAL H    . . 5.130 5.250 5.236 5.271 0.141 17 0 "[    .    1    .    2]" 1 
       256 1 26 MET HG3  1 27 GLU H    . . 4.350 4.465 4.453 4.474 0.124  5 0 "[    .    1    .    2]" 1 
       257 1 26 MET ME   1 30 PHE QD   . . 8.650 4.411 3.165 5.204     .  0 0 "[    .    1    .    2]" 1 
       258 1 26 MET ME   1 30 PHE QE   . . 8.650 3.398 2.603 3.994     .  0 0 "[    .    1    .    2]" 1 
       259 1 26 MET ME   1 30 PHE HZ   . . 6.530 4.665 3.783 5.250     .  0 0 "[    .    1    .    2]" 1 
       260 1 26 MET ME   2 11 VAL H    . . 6.530 3.944 3.410 4.731     .  0 0 "[    .    1    .    2]" 1 
       261 1 26 MET ME   2 12 ALA H    . . 6.530 5.271 5.103 5.380     .  0 0 "[    .    1    .    2]" 1 
       262 1 27 GLU H    1 27 GLU HB2  . . 3.020 2.185 2.141 2.285     .  0 0 "[    .    1    .    2]" 1 
       263 1 27 GLU H    1 27 GLU HB3  . . 3.420 3.469 3.441 3.518 0.098 20 0 "[    .    1    .    2]" 1 
       264 1 27 GLU H    1 27 GLU HG2  . . 5.500 3.653 2.567 3.942     .  0 0 "[    .    1    .    2]" 1 
       265 1 27 GLU H    1 27 GLU HG3  . . 5.500 2.849 2.657 3.459     .  0 0 "[    .    1    .    2]" 1 
       266 1 27 GLU H    1 27 GLU QG   . . 4.760 2.693 2.499 2.787     .  0 0 "[    .    1    .    2]" 1 
       267 1 27 GLU H    1 28 GLU H    . . 3.240 2.889 2.789 2.942     .  0 0 "[    .    1    .    2]" 1 
       268 1 27 GLU H    2  8 ILE MD   . . 6.530 5.022 4.646 5.318     .  0 0 "[    .    1    .    2]" 1 
       269 1 27 GLU HA   1 30 PHE H    . . 4.510 4.511 4.421 4.590 0.080  5 0 "[    .    1    .    2]" 1 
       270 1 27 GLU HA   1 30 PHE QD   . . 7.620 4.851 4.582 5.318     .  0 0 "[    .    1    .    2]" 1 
       271 1 27 GLU HB2  1 28 GLU H    . . 3.390 2.816 2.706 2.921     .  0 0 "[    .    1    .    2]" 1 
       272 1 27 GLU HB3  1 28 GLU H    . . 3.240 3.231 3.049 3.324 0.084 20 0 "[    .    1    .    2]" 1 
       273 1 27 GLU QG   1 28 GLU H    . . 6.380 4.384 4.304 4.433     .  0 0 "[    .    1    .    2]" 1 
       274 1 28 GLU H    1 28 GLU HA   . . 2.900 2.841 2.821 2.855     .  0 0 "[    .    1    .    2]" 1 
       275 1 28 GLU H    1 28 GLU HB2  . . 2.710 2.548 2.374 2.688     .  0 0 "[    .    1    .    2]" 1 
       276 1 28 GLU H    1 28 GLU HB3  . . 2.800 2.497 2.351 2.670     .  0 0 "[    .    1    .    2]" 1 
       277 1 28 GLU H    1 28 GLU HG2  . . 4.450 4.400 4.368 4.451 0.001  9 0 "[    .    1    .    2]" 1 
       278 1 28 GLU H    1 28 GLU HG3  . . 4.450 4.418 4.390 4.461 0.011  8 0 "[    .    1    .    2]" 1 
       279 1 28 GLU H    1 28 GLU QG   . . 4.240 3.928 3.907 3.938     .  0 0 "[    .    1    .    2]" 1 
       280 1 28 GLU H    1 29 LYS H    . . 2.960 2.488 2.413 2.562     .  0 0 "[    .    1    .    2]" 1 
       281 1 28 GLU HA   1 29 LYS H    . . 3.640 3.618 3.605 3.629     .  0 0 "[    .    1    .    2]" 1 
       282 1 28 GLU HA   1 31 GLY H    . . 3.860 3.367 3.274 3.434     .  0 0 "[    .    1    .    2]" 1 
       283 1 28 GLU HB3  1 29 LYS H    . . 2.860 2.578 2.458 2.664     .  0 0 "[    .    1    .    2]" 1 
       284 1 28 GLU QG   1 29 LYS H    . . 6.380 3.740 3.423 4.211     .  0 0 "[    .    1    .    2]" 1 
       285 1 29 LYS H    1 29 LYS HA   . . 2.930 2.748 2.726 2.771     .  0 0 "[    .    1    .    2]" 1 
       286 1 29 LYS H    1 29 LYS HB2  . . 2.930 2.501 2.457 2.525     .  0 0 "[    .    1    .    2]" 1 
       287 1 29 LYS H    1 29 LYS HB3  . . 2.830 2.419 2.396 2.464     .  0 0 "[    .    1    .    2]" 1 
       288 1 29 LYS H    1 29 LYS HG2  . . 5.500 4.517 4.351 4.569     .  0 0 "[    .    1    .    2]" 1 
       289 1 29 LYS H    1 29 LYS HG3  . . 5.500 4.369 4.334 4.563     .  0 0 "[    .    1    .    2]" 1 
       290 1 29 LYS H    1 30 PHE H    . . 3.210 3.051 2.971 3.115     .  0 0 "[    .    1    .    2]" 1 
       291 1 29 LYS H    2  8 ILE MD   . . 6.530 4.833 4.131 5.386     .  0 0 "[    .    1    .    2]" 1 
       292 1 29 LYS HA   1 30 PHE H    . . 3.580 3.639 3.637 3.640 0.060  2 0 "[    .    1    .    2]" 1 
       293 1 29 LYS HB2  1 30 PHE H    . . 3.830 3.763 3.720 3.778     .  0 0 "[    .    1    .    2]" 1 
       294 1 29 LYS HB2  1 30 PHE QD   . . 7.620 4.644 4.308 5.222     .  0 0 "[    .    1    .    2]" 1 
       295 1 29 LYS HB2  1 30 PHE QE   . . 7.620 5.319 5.081 5.623     .  0 0 "[    .    1    .    2]" 1 
       296 1 29 LYS HB3  1 30 PHE H    . . 3.610 2.284 2.223 2.306     .  0 0 "[    .    1    .    2]" 1 
       297 1 29 LYS HB3  1 30 PHE QD   . . 7.620 2.953 2.625 3.667     .  0 0 "[    .    1    .    2]" 1 
       298 1 29 LYS HB3  1 30 PHE QE   . . 7.620 4.014 3.759 4.315     .  0 0 "[    .    1    .    2]" 1 
       299 1 29 LYS QG   1 30 PHE QD   . . 8.500 3.510 2.980 4.476     .  0 0 "[    .    1    .    2]" 1 
       300 1 29 LYS QG   1 30 PHE QE   . . 8.500 3.617 3.237 4.700     .  0 0 "[    .    1    .    2]" 1 
       301 1 29 LYS HE2  1 30 PHE QE   . . 7.620 5.453 2.935 7.023     .  0 0 "[    .    1    .    2]" 1 
       302 1 30 PHE H    1 30 PHE HB2  . . 3.050 2.218 2.111 2.315     .  0 0 "[    .    1    .    2]" 1 
       303 1 30 PHE H    1 30 PHE HB3  . . 3.450 3.449 3.412 3.470 0.020  4 0 "[    .    1    .    2]" 1 
       304 1 30 PHE H    1 31 GLY H    . . 2.860 2.607 2.546 2.644     .  0 0 "[    .    1    .    2]" 1 
       305 1 30 PHE H    2  8 ILE MG   . . 6.530 4.611 4.173 5.021     .  0 0 "[    .    1    .    2]" 1 
       306 1 30 PHE HA   1 31 GLY H    . . 3.360 3.365 3.324 3.428 0.068  5 0 "[    .    1    .    2]" 1 
       307 1 30 PHE HB2  1 31 GLY H    . . 3.860 3.402 3.244 3.495     .  0 0 "[    .    1    .    2]" 1 
       308 1 30 PHE HB3  1 31 GLY H    . . 4.790 4.168 4.045 4.250     .  0 0 "[    .    1    .    2]" 1 
       309 1 30 PHE QD   1 32 VAL HB   . . 7.620 4.909 4.299 5.141     .  0 0 "[    .    1    .    2]" 1 
       310 1 30 PHE QD   2  8 ILE MG   . . 8.650 3.836 3.344 4.697     .  0 0 "[    .    1    .    2]" 1 
       311 1 30 PHE QD   2  8 ILE MD   . . 8.650 4.636 3.924 5.077     .  0 0 "[    .    1    .    2]" 1 
       312 1 30 PHE QD   2 11 VAL MG1  . . 8.650 3.815 3.642 4.019     .  0 0 "[    .    1    .    2]" 1 
       313 1 30 PHE QD   2 16 VAL MG2  . . 8.650 5.362 4.783 5.868     .  0 0 "[    .    1    .    2]" 1 
       314 1 30 PHE QE   1 32 VAL HB   . . 7.620 6.863 6.386 7.059     .  0 0 "[    .    1    .    2]" 1 
       315 1 30 PHE QE   2  8 ILE HA   . . 7.620 3.484 2.796 4.125     .  0 0 "[    .    1    .    2]" 1 
       316 1 30 PHE QE   2  8 ILE MG   . . 7.940 2.744 2.305 3.811     .  0 0 "[    .    1    .    2]" 1 
       317 1 30 PHE QE   2  8 ILE MD   . . 8.650 4.010 3.117 4.866     .  0 0 "[    .    1    .    2]" 1 
       318 1 30 PHE QE   2 11 VAL HB   . . 7.620 2.859 2.585 3.138     .  0 0 "[    .    1    .    2]" 1 
       319 1 30 PHE QE   2 11 VAL MG1  . . 8.530 2.697 2.263 2.898     .  0 0 "[    .    1    .    2]" 1 
       320 1 30 PHE QE   2 11 VAL MG2  . . 8.650 4.034 3.691 4.338     .  0 0 "[    .    1    .    2]" 1 
       321 1 30 PHE QE   2 12 ALA MB   . . 8.650 2.655 2.206 3.040     .  0 0 "[    .    1    .    2]" 1 
       322 1 30 PHE QE   2 16 VAL MG2  . . 8.650 5.306 4.871 5.576     .  0 0 "[    .    1    .    2]" 1 
       323 1 30 PHE QE   2 19 VAL MG2  . . 8.650 4.535 4.087 4.927     .  0 0 "[    .    1    .    2]" 1 
       324 1 30 PHE HZ   2  8 ILE MG   . . 5.160 3.991 3.506 4.219     .  0 0 "[    .    1    .    2]" 1 
       325 1 30 PHE HZ   2 11 VAL MG1  . . 6.530 2.325 2.178 2.561     .  0 0 "[    .    1    .    2]" 1 
       326 1 30 PHE HZ   2 11 VAL MG2  . . 6.530 4.412 4.191 4.713     .  0 0 "[    .    1    .    2]" 1 
       327 1 30 PHE HZ   2 12 ALA H    . . 5.500 2.820 2.520 3.228     .  0 0 "[    .    1    .    2]" 1 
       328 1 30 PHE HZ   2 12 ALA HA   . . 5.500 2.622 2.372 3.009     .  0 0 "[    .    1    .    2]" 1 
       329 1 30 PHE HZ   2 12 ALA MB   . . 6.250 2.173 2.110 2.254     .  0 0 "[    .    1    .    2]" 1 
       330 1 30 PHE HZ   2 19 VAL MG2  . . 5.910 4.725 4.098 4.902     .  0 0 "[    .    1    .    2]" 1 
       331 1 31 GLY H    1 32 VAL H    . . 3.050 3.011 2.910 3.048     .  0 0 "[    .    1    .    2]" 1 
       332 1 31 GLY H    1 32 VAL QG   . . 7.620 4.130 3.861 4.486     .  0 0 "[    .    1    .    2]" 1 
       333 1 32 VAL H    1 32 VAL HB   . . 3.270 2.737 2.561 3.004     .  0 0 "[    .    1    .    2]" 1 
       334 1 32 VAL H    1 33 SER H    . . 3.330 3.289 3.063 3.403 0.073 15 0 "[    .    1    .    2]" 1 
       335 1 32 VAL HA   1 33 SER H    . . 2.830 2.545 2.432 2.722     .  0 0 "[    .    1    .    2]" 1 
       336 1 32 VAL QG   1 33 SER H    . . 6.820 3.601 3.534 3.651     .  0 0 "[    .    1    .    2]" 1 
       337 1 33 SER H    1 33 SER HA   . . 2.900 2.903 2.852 2.917 0.017  2 0 "[    .    1    .    2]" 1 
       338 1 33 SER H    1 33 SER QB   . . 3.830 2.684 2.174 3.007     .  0 0 "[    .    1    .    2]" 1 
       339 1 33 SER H    1 34 ALA H    . . 4.690 3.957 3.196 4.556     .  0 0 "[    .    1    .    2]" 1 
       340 1 33 SER HA   1 34 ALA H    . . 2.650 2.392 2.232 2.664 0.014  6 0 "[    .    1    .    2]" 1 
       341 1 33 SER QB   1 34 ALA H    . . 4.550 3.624 2.638 4.117     .  0 0 "[    .    1    .    2]" 1 
       342 1 34 ALA H    1 35 ALA H    . . 3.360 3.161 2.627 3.408 0.048  9 0 "[    .    1    .    2]" 1 
       343 1 34 ALA HA   1 35 ALA H    . . 2.830 2.391 2.239 2.607     .  0 0 "[    .    1    .    2]" 1 
       344 1 35 ALA H    1 35 ALA HA   . . 2.860 2.744 2.233 2.864 0.004  4 0 "[    .    1    .    2]" 1 
       345 1 35 ALA H    1 36 ALA H    . . 3.890 3.200 2.895 3.801     .  0 0 "[    .    1    .    2]" 1 
       346 1 35 ALA HA   1 36 ALA H    . . 2.740 2.376 2.198 2.460     .  0 0 "[    .    1    .    2]" 1 
       347 1 35 ALA MB   1 36 ALA H    . . 4.420 3.710 3.460 3.768     .  0 0 "[    .    1    .    2]" 1 
       348 1 36 ALA H    1 36 ALA HA   . . 2.650 2.604 2.211 2.787 0.137 13 0 "[    .    1    .    2]" 1 
       349 1 36 ALA HA   1 37 ALA H    . . 2.620 2.336 2.188 2.601     .  0 0 "[    .    1    .    2]" 1 
       350 2  1 SER H1   2  1 SER HA   . . 2.800 2.883 2.880 2.885 0.085 16 0 "[    .    1    .    2]" 1 
       351 2  1 SER H1   2  1 SER QB   . . 3.710 2.821 2.640 3.199     .  0 0 "[    .    1    .    2]" 1 
       352 2  1 SER H1   2  2 ILE H    . . 3.240 3.239 3.179 3.293 0.053 16 0 "[    .    1    .    2]" 1 
       353 2  1 SER HA   2  2 ILE H    . . 2.620 2.452 2.433 2.474     .  0 0 "[    .    1    .    2]" 1 
       354 2  2 ILE H    2  2 ILE HB   . . 2.740 2.603 2.569 2.646     .  0 0 "[    .    1    .    2]" 1 
       355 2  2 ILE H    2  2 ILE HG12 . . 3.330 3.402 3.338 3.420 0.090  2 0 "[    .    1    .    2]" 1 
       356 2  2 ILE H    2  2 ILE HG13 . . 3.330 2.247 2.167 2.329     .  0 0 "[    .    1    .    2]" 1 
       357 2  2 ILE H    2  2 ILE QG   . . 3.040 2.217 2.144 2.291     .  0 0 "[    .    1    .    2]" 1 
       358 2  2 ILE H    2  2 ILE MD   . . 5.660 3.737 3.636 3.839     .  0 0 "[    .    1    .    2]" 1 
       359 2  2 ILE H    2  3 THR H    . . 3.390 3.432 3.405 3.459 0.069 15 0 "[    .    1    .    2]" 1 
       360 2  2 ILE HA   2  3 THR H    . . 2.590 2.592 2.569 2.613 0.023  7 0 "[    .    1    .    2]" 1 
       361 2  2 ILE HB   2  3 THR H    . . 4.630 4.477 4.467 4.488     .  0 0 "[    .    1    .    2]" 1 
       362 2  2 ILE MG   2  3 THR H    . . 4.920 4.003 3.963 4.056     .  0 0 "[    .    1    .    2]" 1 
       363 2  3 THR H    2  3 THR HA   . . 2.930 2.892 2.862 2.938 0.008 11 0 "[    .    1    .    2]" 1 
       364 2  3 THR H    2  3 THR MG   . . 4.080 2.302 1.971 2.500     .  0 0 "[    .    1    .    2]" 1 
       365 2  3 THR H    2  6 GLN QB   . . 4.760 2.400 2.167 2.817     .  0 0 "[    .    1    .    2]" 1 
       366 2  3 THR H    2  6 GLN QG   . . 4.450 2.881 2.546 3.432     .  0 0 "[    .    1    .    2]" 1 
       367 2  3 THR HA   2  4 LYS H    . . 2.710 2.386 2.363 2.415     .  0 0 "[    .    1    .    2]" 1 
       368 2  3 THR HA   2  5 ASP H    . . 4.320 4.342 4.212 4.414 0.094 16 0 "[    .    1    .    2]" 1 
       369 2  3 THR HB   2  4 LYS H    . . 2.710 2.704 2.672 2.753 0.043 19 0 "[    .    1    .    2]" 1 
       370 2  3 THR HB   2  5 ASP H    . . 2.930 2.932 2.845 3.028 0.098 20 0 "[    .    1    .    2]" 1 
       371 2  3 THR MG   2  4 LYS H    . . 6.280 3.863 3.762 4.085     .  0 0 "[    .    1    .    2]" 1 
       372 2  3 THR MG   2  5 ASP H    . . 6.530 4.520 4.409 4.578     .  0 0 "[    .    1    .    2]" 1 
       373 2  4 LYS H    2  4 LYS HB2  . . 2.930 2.168 2.078 2.251     .  0 0 "[    .    1    .    2]" 1 
       374 2  4 LYS H    2  4 LYS HB3  . . 3.420 3.454 3.381 3.497 0.077 17 0 "[    .    1    .    2]" 1 
       375 2  4 LYS H    2  5 ASP H    . . 3.390 2.743 2.572 2.808     .  0 0 "[    .    1    .    2]" 1 
       376 2  4 LYS HA   2  7 ILE H    . . 4.010 3.459 3.338 3.609     .  0 0 "[    .    1    .    2]" 1 
       377 2  4 LYS HB2  2  5 ASP H    . . 3.270 2.896 2.747 3.099     .  0 0 "[    .    1    .    2]" 1 
       378 2  4 LYS HB3  2  5 ASP H    . . 3.300 3.411 3.376 3.429 0.129 20 0 "[    .    1    .    2]" 1 
       379 2  4 LYS QG   2  5 ASP H    . . 6.380 4.516 4.372 4.651     .  0 0 "[    .    1    .    2]" 1 
       380 2  4 LYS QD   2  5 ASP H    . . 6.380 4.677 4.258 5.391     .  0 0 "[    .    1    .    2]" 1 
       381 2  5 ASP H    2  5 ASP HA   . . 2.900 2.736 2.723 2.752     .  0 0 "[    .    1    .    2]" 1 
       382 2  5 ASP H    2  5 ASP HB2  . . 2.680 2.312 2.157 2.764 0.084 17 0 "[    .    1    .    2]" 1 
       383 2  5 ASP H    2  5 ASP HB3  . . 3.390 3.497 3.455 3.524 0.134 10 0 "[    .    1    .    2]" 1 
       384 2  5 ASP H    2  6 GLN H    . . 2.740 2.724 2.660 2.761 0.021  6 0 "[    .    1    .    2]" 1 
       385 2  5 ASP HA   2  7 ILE H    . . 4.010 3.885 3.823 3.943     .  0 0 "[    .    1    .    2]" 1 
       386 2  5 ASP HA   2  8 ILE H    . . 3.980 3.114 2.991 3.253     .  0 0 "[    .    1    .    2]" 1 
       387 2  5 ASP HB2  2  6 GLN H    . . 3.950 2.608 2.381 2.724     .  0 0 "[    .    1    .    2]" 1 
       388 2  5 ASP HB3  2  6 GLN H    . . 4.450 3.404 3.210 3.833     .  0 0 "[    .    1    .    2]" 1 
       389 2  6 GLN H    2  6 GLN QG   . . 3.960 2.876 2.534 3.633     .  0 0 "[    .    1    .    2]" 1 
       390 2  6 GLN H    2  7 ILE H    . . 3.080 2.729 2.622 2.797     .  0 0 "[    .    1    .    2]" 1 
       391 2  6 GLN HA   2  7 ILE H    . . 3.520 3.527 3.512 3.547 0.027  7 0 "[    .    1    .    2]" 1 
       392 2  6 GLN HA   2  9 GLU H    . . 3.580 3.615 3.517 3.678 0.098  1 0 "[    .    1    .    2]" 1 
       393 2  6 GLN QB   2  8 ILE H    . . 5.350 4.751 4.700 4.805     .  0 0 "[    .    1    .    2]" 1 
       394 2  6 GLN QG   2  7 ILE H    . . 5.630 4.581 4.482 4.802     .  0 0 "[    .    1    .    2]" 1 
       395 2  7 ILE H    2  7 ILE HB   . . 2.550 2.341 2.179 2.513     .  0 0 "[    .    1    .    2]" 1 
       396 2  7 ILE H    2  8 ILE H    . . 3.480 2.357 2.294 2.406     .  0 0 "[    .    1    .    2]" 1 
       397 2  7 ILE HB   2  8 ILE H    . . 3.170 2.983 2.859 3.062     .  0 0 "[    .    1    .    2]" 1 
       398 2  8 ILE H    2  8 ILE HB   . . 2.620 2.439 2.369 2.519     .  0 0 "[    .    1    .    2]" 1 
       399 2  8 ILE H    2  8 ILE HG12 . . 3.140 2.364 1.944 3.225 0.085 18 0 "[    .    1    .    2]" 1 
       400 2  8 ILE H    2  8 ILE HG13 . . 4.040 3.028 1.989 3.557     .  0 0 "[    .    1    .    2]" 1 
       401 2  8 ILE H    2  9 GLU H    . . 3.020 2.739 2.680 2.790     .  0 0 "[    .    1    .    2]" 1 
       402 2  8 ILE HA   2 11 VAL H    . . 4.510 3.515 3.300 3.693     .  0 0 "[    .    1    .    2]" 1 
       403 2  8 ILE HB   2  9 GLU H    . . 2.740 2.622 2.530 2.749 0.009 10 0 "[    .    1    .    2]" 1 
       404 2  8 ILE MG   2  9 GLU H    . . 5.010 3.459 3.301 3.664     .  0 0 "[    .    1    .    2]" 1 
       405 2  8 ILE MD   2  9 GLU H    . . 5.910 4.607 4.479 4.776     .  0 0 "[    .    1    .    2]" 1 
       406 2  9 GLU H    2  9 GLU HA   . . 2.900 2.808 2.774 2.833     .  0 0 "[    .    1    .    2]" 1 
       407 2  9 GLU H    2  9 GLU QB   . . 3.680 2.361 2.221 2.493     .  0 0 "[    .    1    .    2]" 1 
       408 2  9 GLU H    2  9 GLU HG2  . . 5.470 2.876 2.103 4.019     .  0 0 "[    .    1    .    2]" 1 
       409 2  9 GLU H    2  9 GLU HG3  . . 5.470 2.862 2.242 3.604     .  0 0 "[    .    1    .    2]" 1 
       410 2  9 GLU H    2  9 GLU QG   . . 5.120 2.372 2.081 3.227     .  0 0 "[    .    1    .    2]" 1 
       411 2  9 GLU H    2 10 ALA H    . . 3.240 2.550 2.454 2.634     .  0 0 "[    .    1    .    2]" 1 
       412 2  9 GLU HA   2 10 ALA H    . . 3.390 3.444 3.402 3.490 0.100  8 0 "[    .    1    .    2]" 1 
       413 2  9 GLU HA   2 12 ALA H    . . 3.580 3.179 3.017 3.312     .  0 0 "[    .    1    .    2]" 1 
       414 2  9 GLU QB   2 10 ALA H    . . 4.080 3.379 3.073 3.814     .  0 0 "[    .    1    .    2]" 1 
       415 2  9 GLU QB   2 11 VAL H    . . 5.910 5.108 4.900 5.333     .  0 0 "[    .    1    .    2]" 1 
       416 2 10 ALA H    2 10 ALA MB   . . 3.550 2.150 2.000 2.196     .  0 0 "[    .    1    .    2]" 1 
       417 2 10 ALA H    2 11 VAL H    . . 2.930 2.446 2.404 2.487     .  0 0 "[    .    1    .    2]" 1 
       418 2 10 ALA H    2 11 VAL HB   . . 4.320 4.421 4.406 4.437 0.117 20 0 "[    .    1    .    2]" 1 
       419 2 10 ALA H    2 11 VAL MG2  . . 5.810 4.186 4.066 4.345     .  0 0 "[    .    1    .    2]" 1 
       420 2 10 ALA HA   2 11 VAL H    . . 3.580 3.598 3.566 3.620 0.040 12 0 "[    .    1    .    2]" 1 
       421 2 10 ALA HA   2 13 ALA H    . . 4.170 3.585 3.301 3.905     .  0 0 "[    .    1    .    2]" 1 
       422 2 10 ALA MB   2 11 VAL H    . . 3.950 2.634 2.485 2.820     .  0 0 "[    .    1    .    2]" 1 
       423 2 11 VAL H    2 11 VAL HB   . . 2.710 2.221 2.174 2.257     .  0 0 "[    .    1    .    2]" 1 
       424 2 11 VAL H    2 11 VAL MG1  . . 4.480 3.647 3.610 3.668     .  0 0 "[    .    1    .    2]" 1 
       425 2 11 VAL H    2 11 VAL MG2  . . 4.020 2.459 2.340 2.605     .  0 0 "[    .    1    .    2]" 1 
       426 2 11 VAL H    2 12 ALA H    . . 2.930 2.452 2.325 2.576     .  0 0 "[    .    1    .    2]" 1 
       427 2 11 VAL H    2 14 MET ME   . . 6.530 5.342 4.894 5.521     .  0 0 "[    .    1    .    2]" 1 
       428 2 11 VAL HA   2 13 ALA H    . . 4.170 3.438 3.306 3.670     .  0 0 "[    .    1    .    2]" 1 
       429 2 11 VAL HA   2 14 MET H    . . 3.550 3.432 3.104 3.615 0.065  4 0 "[    .    1    .    2]" 1 
       430 2 11 VAL HB   2 12 ALA H    . . 3.360 3.172 2.999 3.305     .  0 0 "[    .    1    .    2]" 1 
       431 2 11 VAL MG1  2 12 ALA H    . . 4.880 3.654 3.578 3.753     .  0 0 "[    .    1    .    2]" 1 
       432 2 11 VAL MG1  2 13 ALA H    . . 6.530 4.485 4.345 4.670     .  0 0 "[    .    1    .    2]" 1 
       433 2 11 VAL MG2  2 12 ALA H    . . 6.190 4.181 4.100 4.260     .  0 0 "[    .    1    .    2]" 1 
       434 2 12 ALA H    2 12 ALA MB   . . 3.430 2.163 2.014 2.265     .  0 0 "[    .    1    .    2]" 1 
       435 2 12 ALA H    2 13 ALA H    . . 3.170 2.470 2.281 2.659     .  0 0 "[    .    1    .    2]" 1 
       436 2 12 ALA HA   2 13 ALA H    . . 3.640 3.263 3.141 3.398     .  0 0 "[    .    1    .    2]" 1 
       437 2 12 ALA HA   2 14 MET H    . . 4.350 3.971 3.846 4.238     .  0 0 "[    .    1    .    2]" 1 
       438 2 13 ALA H    2 13 ALA MB   . . 3.490 2.272 2.138 2.372     .  0 0 "[    .    1    .    2]" 1 
       439 2 13 ALA H    2 14 MET H    . . 2.800 2.033 1.915 2.115     .  0 0 "[    .    1    .    2]" 1 
       440 2 13 ALA H    2 14 MET HB2  . . 4.510 4.230 4.083 4.372     .  0 0 "[    .    1    .    2]" 1 
       441 2 13 ALA HA   2 14 MET H    . . 3.520 3.524 3.501 3.539 0.019  9 0 "[    .    1    .    2]" 1 
       442 2 14 MET H    2 14 MET HB2  . . 2.710 2.431 2.370 2.484     .  0 0 "[    .    1    .    2]" 1 
       443 2 14 MET H    2 14 MET HB3  . . 3.580 3.594 3.549 3.609 0.029  9 0 "[    .    1    .    2]" 1 
       444 2 14 MET H    2 14 MET HG2  . . 4.660 3.779 2.943 4.208     .  0 0 "[    .    1    .    2]" 1 
       445 2 14 MET H    2 14 MET HG3  . . 3.610 2.713 2.373 3.143     .  0 0 "[    .    1    .    2]" 1 
       446 2 14 MET H    2 14 MET ME   . . 6.530 4.354 3.882 4.716     .  0 0 "[    .    1    .    2]" 1 
       447 2 14 MET H    2 15 SER H    . . 4.850 4.552 4.517 4.589     .  0 0 "[    .    1    .    2]" 1 
       448 2 14 MET H    2 19 VAL MG2  . . 6.190 3.830 3.520 4.123     .  0 0 "[    .    1    .    2]" 1 
       449 2 14 MET HA   2 15 SER H    . . 2.550 2.571 2.546 2.623 0.073  4 0 "[    .    1    .    2]" 1 
       450 2 14 MET HB2  2 15 SER H    . . 3.450 3.492 3.442 3.545 0.095  2 0 "[    .    1    .    2]" 1 
       451 2 14 MET HB3  2 15 SER H    . . 2.990 2.330 2.209 2.390     .  0 0 "[    .    1    .    2]" 1 
       452 2 14 MET HG2  2 15 SER H    . . 4.320 4.223 4.033 4.382 0.062 16 0 "[    .    1    .    2]" 1 
       453 2 15 SER H    2 15 SER HB2  . . 3.330 3.420 3.417 3.423 0.093 16 0 "[    .    1    .    2]" 1 
       454 2 15 SER H    2 15 SER HB3  . . 3.110 3.110 3.069 3.149 0.039 19 0 "[    .    1    .    2]" 1 
       455 2 15 SER H    2 16 VAL H    . . 4.880 4.627 4.611 4.640     .  0 0 "[    .    1    .    2]" 1 
       456 2 15 SER H    2 18 ASP HB2  . . 3.830 3.060 2.679 3.417     .  0 0 "[    .    1    .    2]" 1 
       457 2 15 SER H    2 18 ASP HB3  . . 3.170 2.791 2.480 3.243 0.073 19 0 "[    .    1    .    2]" 1 
       458 2 15 SER H    2 19 VAL MG2  . . 6.530 4.092 3.832 4.305     .  0 0 "[    .    1    .    2]" 1 
       459 2 15 SER HA   2 16 VAL H    . . 2.550 2.485 2.458 2.539     .  0 0 "[    .    1    .    2]" 1 
       460 2 15 SER HB2  2 16 VAL H    . . 3.110 2.609 2.476 2.678     .  0 0 "[    .    1    .    2]" 1 
       461 2 15 SER HB3  2 16 VAL H    . . 3.420 3.417 3.350 3.450 0.030  7 0 "[    .    1    .    2]" 1 
       462 2 15 SER HB3  2 17 MET H    . . 4.260 4.288 4.232 4.334 0.074 20 0 "[    .    1    .    2]" 1 
       463 2 16 VAL H    2 16 VAL HB   . . 2.710 2.392 2.329 2.500     .  0 0 "[    .    1    .    2]" 1 
       464 2 16 VAL H    2 16 VAL MG1  . . 4.790 3.695 3.685 3.701     .  0 0 "[    .    1    .    2]" 1 
       465 2 16 VAL H    2 16 VAL MG2  . . 4.200 2.082 2.015 2.111     .  0 0 "[    .    1    .    2]" 1 
       466 2 16 VAL H    2 17 MET H    . . 3.270 2.748 2.674 2.813     .  0 0 "[    .    1    .    2]" 1 
       467 2 16 VAL HA   2 19 VAL H    . . 3.450 3.361 3.230 3.485 0.035  2 0 "[    .    1    .    2]" 1 
       468 2 16 VAL HB   2 17 MET H    . . 2.930 2.620 2.585 2.657     .  0 0 "[    .    1    .    2]" 1 
       469 2 16 VAL MG1  2 17 MET H    . . 4.980 3.409 3.270 3.607     .  0 0 "[    .    1    .    2]" 1 
       470 2 16 VAL MG2  2 17 MET H    . . 6.530 3.896 3.800 3.965     .  0 0 "[    .    1    .    2]" 1 
       471 2 16 VAL MG2  2 18 ASP H    . . 6.530 5.476 5.415 5.499     .  0 0 "[    .    1    .    2]" 1 
       472 2 17 MET H    2 17 MET HA   . . 2.830 2.744 2.719 2.764     .  0 0 "[    .    1    .    2]" 1 
       473 2 17 MET H    2 17 MET HB2  . . 2.710 2.130 2.106 2.147     .  0 0 "[    .    1    .    2]" 1 
       474 2 17 MET H    2 17 MET HG2  . . 5.500 3.465 2.705 4.109     .  0 0 "[    .    1    .    2]" 1 
       475 2 17 MET H    2 17 MET HG3  . . 3.700 3.217 2.681 3.735 0.035  6 0 "[    .    1    .    2]" 1 
       476 2 17 MET H    2 18 ASP H    . . 2.930 2.803 2.754 2.864     .  0 0 "[    .    1    .    2]" 1 
       477 2 17 MET HA   2 20 VAL H    . . 3.830 3.146 3.064 3.279     .  0 0 "[    .    1    .    2]" 1 
       478 2 17 MET HB3  2 18 ASP H    . . 3.110 3.198 3.176 3.207 0.097  7 0 "[    .    1    .    2]" 1 
       479 2 18 ASP H    2 18 ASP HB2  . . 3.240 2.351 2.144 2.575     .  0 0 "[    .    1    .    2]" 1 
       480 2 18 ASP H    2 18 ASP HB3  . . 2.930 2.571 2.340 2.827     .  0 0 "[    .    1    .    2]" 1 
       481 2 18 ASP H    2 19 VAL H    . . 3.270 2.628 2.538 2.693     .  0 0 "[    .    1    .    2]" 1 
       482 2 18 ASP H    2 19 VAL MG2  . . 6.220 4.082 3.870 4.230     .  0 0 "[    .    1    .    2]" 1 
       483 2 18 ASP HA   2 21 GLU H    . . 4.040 3.569 3.408 3.736     .  0 0 "[    .    1    .    2]" 1 
       484 2 18 ASP HB2  2 19 VAL H    . . 4.290 3.944 3.703 4.109     .  0 0 "[    .    1    .    2]" 1 
       485 2 18 ASP HB3  2 19 VAL H    . . 3.480 2.870 2.755 3.015     .  0 0 "[    .    1    .    2]" 1 
       486 2 19 VAL H    2 19 VAL HB   . . 2.680 2.273 2.199 2.355     .  0 0 "[    .    1    .    2]" 1 
       487 2 19 VAL H    2 19 VAL MG2  . . 4.170 2.410 2.235 2.520     .  0 0 "[    .    1    .    2]" 1 
       488 2 19 VAL H    2 20 VAL H    . . 3.300 2.361 2.274 2.429     .  0 0 "[    .    1    .    2]" 1 
       489 2 19 VAL H    2 20 VAL MG1  . . 6.530 5.537 5.479 5.577     .  0 0 "[    .    1    .    2]" 1 
       490 2 19 VAL H    2 20 VAL MG2  . . 6.340 4.018 3.769 4.186     .  0 0 "[    .    1    .    2]" 1 
       491 2 19 VAL HA   2 22 LEU H    . . 3.580 3.268 3.193 3.436     .  0 0 "[    .    1    .    2]" 1 
       492 2 19 VAL HA   2 23 ILE H    . . 3.980 3.782 3.642 4.047 0.067 19 0 "[    .    1    .    2]" 1 
       493 2 19 VAL HB   2 20 VAL H    . . 2.990 2.932 2.705 3.022 0.032 16 0 "[    .    1    .    2]" 1 
       494 2 19 VAL MG2  2 20 VAL H    . . 5.630 4.053 3.982 4.142     .  0 0 "[    .    1    .    2]" 1 
       495 2 20 VAL H    2 20 VAL HB   . . 2.740 2.226 2.171 2.313     .  0 0 "[    .    1    .    2]" 1 
       496 2 20 VAL H    2 20 VAL MG1  . . 4.570 3.649 3.621 3.687     .  0 0 "[    .    1    .    2]" 1 
       497 2 20 VAL H    2 20 VAL MG2  . . 3.990 2.407 2.247 2.473     .  0 0 "[    .    1    .    2]" 1 
       498 2 20 VAL H    2 21 GLU H    . . 3.140 2.642 2.513 2.785     .  0 0 "[    .    1    .    2]" 1 
       499 2 20 VAL H    2 23 ILE HB   . . 5.250 5.189 4.892 5.303 0.053 11 0 "[    .    1    .    2]" 1 
       500 2 20 VAL HA   2 23 ILE H    . . 3.920 3.774 3.547 3.906     .  0 0 "[    .    1    .    2]" 1 
       501 2 20 VAL HB   2 21 GLU H    . . 2.900 2.713 2.546 2.915 0.015 19 0 "[    .    1    .    2]" 1 
       502 2 20 VAL MG1  2 21 GLU H    . . 5.320 3.188 2.972 3.639     .  0 0 "[    .    1    .    2]" 1 
       503 2 20 VAL MG2  2 21 GLU H    . . 5.470 4.041 3.947 4.133     .  0 0 "[    .    1    .    2]" 1 
       504 2 21 GLU H    2 21 GLU HB2  . . 2.900 2.249 2.144 2.323     .  0 0 "[    .    1    .    2]" 1 
       505 2 21 GLU H    2 21 GLU HB3  . . 3.420 3.499 3.443 3.525 0.105  8 0 "[    .    1    .    2]" 1 
       506 2 21 GLU H    2 22 LEU H    . . 2.860 2.714 2.603 2.817     .  0 0 "[    .    1    .    2]" 1 
       507 2 21 GLU H    2 22 LEU QD   . . 7.940 5.524 5.376 5.625     .  0 0 "[    .    1    .    2]" 1 
       508 2 21 GLU HA   2 22 LEU H    . . 3.580 3.620 3.606 3.633 0.053 16 0 "[    .    1    .    2]" 1 
       509 2 21 GLU HA   2 24 SER H    . . 3.670 3.525 3.352 3.682 0.012  8 0 "[    .    1    .    2]" 1 
       510 2 21 GLU HB2  2 22 LEU H    . . 3.300 2.690 2.547 2.818     .  0 0 "[    .    1    .    2]" 1 
       511 2 21 GLU HB3  2 22 LEU H    . . 3.580 3.384 3.165 3.526     .  0 0 "[    .    1    .    2]" 1 
       512 2 22 LEU H    2 22 LEU HA   . . 2.830 2.760 2.749 2.770     .  0 0 "[    .    1    .    2]" 1 
       513 2 22 LEU H    2 22 LEU HB2  . . 2.930 2.340 2.183 2.425     .  0 0 "[    .    1    .    2]" 1 
       514 2 22 LEU H    2 22 LEU HB3  . . 2.960 2.531 2.442 2.715     .  0 0 "[    .    1    .    2]" 1 
       515 2 22 LEU H    2 22 LEU HG   . . 5.130 4.418 4.349 4.520     .  0 0 "[    .    1    .    2]" 1 
       516 2 22 LEU H    2 22 LEU MD1  . . 5.780 4.016 3.720 4.162     .  0 0 "[    .    1    .    2]" 1 
       517 2 22 LEU H    2 22 LEU MD2  . . 5.780 4.166 3.769 4.244     .  0 0 "[    .    1    .    2]" 1 
       518 2 22 LEU H    2 23 ILE H    . . 3.080 2.976 2.910 3.032     .  0 0 "[    .    1    .    2]" 1 
       519 2 22 LEU HA   2 25 ALA H    . . 4.070 3.383 3.260 3.543     .  0 0 "[    .    1    .    2]" 1 
       520 2 22 LEU HB2  2 23 ILE H    . . 3.610 3.689 3.560 3.722 0.112  9 0 "[    .    1    .    2]" 1 
       521 2 22 LEU HG   2 23 ILE H    . . 4.260 3.901 3.414 4.355 0.095  8 0 "[    .    1    .    2]" 1 
       522 2 22 LEU QD   2 23 ILE H    . . 7.260 3.203 2.483 3.855     .  0 0 "[    .    1    .    2]" 1 
       523 2 22 LEU QD   2 25 ALA H    . . 8.040 4.630 3.813 5.060     .  0 0 "[    .    1    .    2]" 1 
       524 2 23 ILE H    2 23 ILE HB   . . 2.490 2.326 2.262 2.405     .  0 0 "[    .    1    .    2]" 1 
       525 2 23 ILE H    2 23 ILE MG   . . 4.730 3.685 3.662 3.703     .  0 0 "[    .    1    .    2]" 1 
       526 2 23 ILE H    2 23 ILE HG12 . . 3.730 2.815 2.076 3.674     .  0 0 "[    .    1    .    2]" 1 
       527 2 23 ILE H    2 23 ILE MD   . . 5.230 3.351 2.985 3.677     .  0 0 "[    .    1    .    2]" 1 
       528 2 23 ILE H    2 24 SER H    . . 3.080 2.852 2.702 2.969     .  0 0 "[    .    1    .    2]" 1 
       529 2 23 ILE HA   2 26 MET H    . . 3.920 3.732 3.553 3.905     .  0 0 "[    .    1    .    2]" 1 
       530 2 23 ILE HB   2 24 SER H    . . 2.930 2.771 2.588 2.972 0.042 17 0 "[    .    1    .    2]" 1 
       531 2 23 ILE MG   2 24 SER H    . . 4.920 3.265 3.014 3.523     .  0 0 "[    .    1    .    2]" 1 
       532 2 23 ILE MG   2 27 GLU H    . . 6.500 3.924 3.756 4.201     .  0 0 "[    .    1    .    2]" 1 
       533 2 23 ILE HG13 2 24 SER H    . . 5.310 4.851 4.534 5.241     .  0 0 "[    .    1    .    2]" 1 
       534 2 24 SER H    2 24 SER HB2  . . 3.450 2.178 2.102 2.221     .  0 0 "[    .    1    .    2]" 1 
       535 2 24 SER H    2 24 SER HB3  . . 3.450 3.465 3.407 3.491 0.041  4 0 "[    .    1    .    2]" 1 
       536 2 24 SER H    2 24 SER QB   . . 3.030 2.156 2.083 2.198     .  0 0 "[    .    1    .    2]" 1 
       537 2 24 SER H    2 25 ALA H    . . 2.960 2.676 2.556 2.764     .  0 0 "[    .    1    .    2]" 1 
       538 2 24 SER HA   2 25 ALA H    . . 3.550 3.592 3.578 3.607 0.057  4 0 "[    .    1    .    2]" 1 
       539 2 24 SER HA   2 27 GLU H    . . 3.760 3.539 3.395 3.644     .  0 0 "[    .    1    .    2]" 1 
       540 2 24 SER HB2  2 25 ALA H    . . 3.360 2.900 2.766 3.011     .  0 0 "[    .    1    .    2]" 1 
       541 2 24 SER HB3  2 25 ALA H    . . 3.360 3.450 3.387 3.467 0.107 17 0 "[    .    1    .    2]" 1 
       542 2 24 SER QB   2 25 ALA H    . . 3.070 2.756 2.659 2.834     .  0 0 "[    .    1    .    2]" 1 
       543 2 25 ALA H    2 25 ALA HA   . . 2.770 2.783 2.771 2.795 0.025  8 0 "[    .    1    .    2]" 1 
       544 2 25 ALA H    2 25 ALA MB   . . 3.640 2.049 1.932 2.161     .  0 0 "[    .    1    .    2]" 1 
       545 2 25 ALA H    2 26 MET H    . . 3.020 2.908 2.813 2.997     .  0 0 "[    .    1    .    2]" 1 
       546 2 25 ALA HA   2 28 GLU H    . . 3.610 3.641 3.577 3.684 0.074 14 0 "[    .    1    .    2]" 1 
       547 2 25 ALA MB   2 26 MET H    . . 3.950 2.236 2.025 2.477     .  0 0 "[    .    1    .    2]" 1 
       548 2 25 ALA MB   2 28 GLU H    . . 6.530 4.648 4.589 4.727     .  0 0 "[    .    1    .    2]" 1 
       549 2 26 MET H    2 26 MET HB2  . . 3.240 2.381 2.331 2.409     .  0 0 "[    .    1    .    2]" 1 
       550 2 26 MET H    2 26 MET HG2  . . 3.520 3.399 3.247 3.484     .  0 0 "[    .    1    .    2]" 1 
       551 2 26 MET H    2 26 MET HG3  . . 3.170 2.159 2.100 2.250     .  0 0 "[    .    1    .    2]" 1 
       552 2 26 MET H    2 26 MET ME   . . 6.530 4.091 3.921 4.555     .  0 0 "[    .    1    .    2]" 1 
       553 2 26 MET H    2 27 GLU H    . . 2.860 2.859 2.830 2.888 0.028 20 0 "[    .    1    .    2]" 1 
       554 2 26 MET HA   2 29 LYS H    . . 3.550 3.304 3.201 3.438     .  0 0 "[    .    1    .    2]" 1 
       555 2 26 MET HA   2 30 PHE H    . . 3.730 3.106 3.044 3.147     .  0 0 "[    .    1    .    2]" 1 
       556 2 26 MET HA   2 30 PHE QD   . . 7.620 2.358 2.234 2.593     .  0 0 "[    .    1    .    2]" 1 
       557 2 26 MET HA   2 30 PHE QE   . . 7.620 3.377 3.070 3.919     .  0 0 "[    .    1    .    2]" 1 
       558 2 26 MET HB2  2 27 GLU H    . . 3.480 2.633 2.535 2.736     .  0 0 "[    .    1    .    2]" 1 
       559 2 26 MET HG2  2 30 PHE H    . . 4.850 4.962 4.953 4.968 0.118 19 0 "[    .    1    .    2]" 1 
       560 2 26 MET HG2  2 30 PHE QD   . . 7.620 3.054 2.981 3.107     .  0 0 "[    .    1    .    2]" 1 
       561 2 26 MET HG2  2 30 PHE QE   . . 7.620 2.238 2.069 2.733     .  0 0 "[    .    1    .    2]" 1 
       562 2 26 MET HG3  2 27 GLU H    . . 4.350 4.463 4.455 4.471 0.121  5 0 "[    .    1    .    2]" 1 
       563 2 26 MET ME   2 30 PHE QD   . . 8.650 4.775 3.167 5.164     .  0 0 "[    .    1    .    2]" 1 
       564 2 26 MET ME   2 30 PHE QE   . . 8.650 3.616 2.619 4.012     .  0 0 "[    .    1    .    2]" 1 
       565 2 26 MET ME   2 30 PHE HZ   . . 6.530 4.888 3.788 5.302     .  0 0 "[    .    1    .    2]" 1 
       566 2 27 GLU H    2 27 GLU HB2  . . 3.020 2.187 2.145 2.243     .  0 0 "[    .    1    .    2]" 1 
       567 2 27 GLU H    2 27 GLU HB3  . . 3.420 3.471 3.445 3.501 0.081 11 0 "[    .    1    .    2]" 1 
       568 2 27 GLU H    2 27 GLU HG2  . . 5.500 3.514 2.629 4.166     .  0 0 "[    .    1    .    2]" 1 
       569 2 27 GLU H    2 27 GLU HG3  . . 5.500 3.008 2.652 3.810     .  0 0 "[    .    1    .    2]" 1 
       570 2 27 GLU H    2 27 GLU QG   . . 4.760 2.724 2.566 3.425     .  0 0 "[    .    1    .    2]" 1 
       571 2 27 GLU H    2 28 GLU H    . . 3.240 2.875 2.827 2.933     .  0 0 "[    .    1    .    2]" 1 
       572 2 27 GLU HA   2 30 PHE H    . . 4.510 4.508 4.411 4.582 0.072 19 0 "[    .    1    .    2]" 1 
       573 2 27 GLU HA   2 30 PHE QD   . . 7.620 4.852 4.757 5.168     .  0 0 "[    .    1    .    2]" 1 
       574 2 27 GLU HB2  2 28 GLU H    . . 3.390 2.857 2.774 2.931     .  0 0 "[    .    1    .    2]" 1 
       575 2 27 GLU HB3  2 28 GLU H    . . 3.240 3.287 3.211 3.332 0.092  8 0 "[    .    1    .    2]" 1 
       576 2 27 GLU QG   2 28 GLU H    . . 6.380 4.410 4.363 4.566     .  0 0 "[    .    1    .    2]" 1 
       577 2 28 GLU H    2 28 GLU HA   . . 2.900 2.845 2.830 2.856     .  0 0 "[    .    1    .    2]" 1 
       578 2 28 GLU H    2 28 GLU HB2  . . 2.710 2.424 2.336 2.689     .  0 0 "[    .    1    .    2]" 1 
       579 2 28 GLU H    2 28 GLU HB3  . . 2.800 2.631 2.372 2.732     .  0 0 "[    .    1    .    2]" 1 
       580 2 28 GLU H    2 28 GLU HG2  . . 4.450 4.394 4.318 4.456 0.006 20 0 "[    .    1    .    2]" 1 
       581 2 28 GLU H    2 28 GLU HG3  . . 4.450 4.429 4.372 4.521 0.071 16 0 "[    .    1    .    2]" 1 
       582 2 28 GLU H    2 28 GLU QG   . . 4.240 3.929 3.902 3.945     .  0 0 "[    .    1    .    2]" 1 
       583 2 28 GLU H    2 29 LYS H    . . 2.960 2.480 2.407 2.562     .  0 0 "[    .    1    .    2]" 1 
       584 2 28 GLU HA   2 29 LYS H    . . 3.640 3.621 3.598 3.629     .  0 0 "[    .    1    .    2]" 1 
       585 2 28 GLU HA   2 31 GLY H    . . 3.860 3.381 3.296 3.478     .  0 0 "[    .    1    .    2]" 1 
       586 2 28 GLU HB3  2 29 LYS H    . . 2.860 2.546 2.465 2.715     .  0 0 "[    .    1    .    2]" 1 
       587 2 28 GLU QG   2 29 LYS H    . . 6.380 4.048 3.483 4.345     .  0 0 "[    .    1    .    2]" 1 
       588 2 29 LYS H    2 29 LYS HA   . . 2.930 2.749 2.726 2.783     .  0 0 "[    .    1    .    2]" 1 
       589 2 29 LYS H    2 29 LYS HB2  . . 2.930 2.507 2.487 2.542     .  0 0 "[    .    1    .    2]" 1 
       590 2 29 LYS H    2 29 LYS HB3  . . 2.830 2.414 2.380 2.439     .  0 0 "[    .    1    .    2]" 1 
       591 2 29 LYS H    2 29 LYS HG2  . . 5.500 4.525 4.359 4.570     .  0 0 "[    .    1    .    2]" 1 
       592 2 29 LYS H    2 29 LYS HG3  . . 5.500 4.362 4.333 4.561     .  0 0 "[    .    1    .    2]" 1 
       593 2 29 LYS H    2 30 PHE H    . . 3.210 3.040 2.949 3.105     .  0 0 "[    .    1    .    2]" 1 
       594 2 29 LYS HA   2 30 PHE H    . . 3.580 3.639 3.637 3.640 0.060 20 0 "[    .    1    .    2]" 1 
       595 2 29 LYS HB2  2 30 PHE H    . . 3.830 3.773 3.737 3.799     .  0 0 "[    .    1    .    2]" 1 
       596 2 29 LYS HB2  2 30 PHE QD   . . 7.620 4.612 4.377 4.986     .  0 0 "[    .    1    .    2]" 1 
       597 2 29 LYS HB2  2 30 PHE QE   . . 7.620 5.278 5.060 5.667     .  0 0 "[    .    1    .    2]" 1 
       598 2 29 LYS HB3  2 30 PHE H    . . 3.610 2.299 2.244 2.341     .  0 0 "[    .    1    .    2]" 1 
       599 2 29 LYS HB3  2 30 PHE QD   . . 7.620 2.914 2.657 3.320     .  0 0 "[    .    1    .    2]" 1 
       600 2 29 LYS HB3  2 30 PHE QE   . . 7.620 3.968 3.788 4.307     .  0 0 "[    .    1    .    2]" 1 
       601 2 29 LYS QG   2 30 PHE QD   . . 8.500 3.480 3.247 4.522     .  0 0 "[    .    1    .    2]" 1 
       602 2 29 LYS QG   2 30 PHE QE   . . 8.500 3.577 3.344 4.726     .  0 0 "[    .    1    .    2]" 1 
       603 2 29 LYS HE2  2 30 PHE QE   . . 7.620 5.686 3.824 6.841     .  0 0 "[    .    1    .    2]" 1 
       604 2 30 PHE H    2 30 PHE HB2  . . 3.050 2.219 2.127 2.298     .  0 0 "[    .    1    .    2]" 1 
       605 2 30 PHE H    2 30 PHE HB3  . . 3.450 3.449 3.420 3.468 0.018 19 0 "[    .    1    .    2]" 1 
       606 2 30 PHE H    2 31 GLY H    . . 2.860 2.597 2.549 2.634     .  0 0 "[    .    1    .    2]" 1 
       607 2 30 PHE HA   2 31 GLY H    . . 3.360 3.372 3.323 3.440 0.080 18 0 "[    .    1    .    2]" 1 
       608 2 30 PHE HB2  2 31 GLY H    . . 3.860 3.384 3.218 3.493     .  0 0 "[    .    1    .    2]" 1 
       609 2 30 PHE HB3  2 31 GLY H    . . 4.790 4.158 4.002 4.274     .  0 0 "[    .    1    .    2]" 1 
       610 2 30 PHE QD   2 32 VAL HB   . . 7.620 4.914 4.191 5.221     .  0 0 "[    .    1    .    2]" 1 
       611 2 30 PHE QE   2 32 VAL HB   . . 7.620 6.863 6.313 7.094     .  0 0 "[    .    1    .    2]" 1 
       612 2 31 GLY H    2 32 VAL H    . . 3.050 3.013 2.937 3.059 0.009  3 0 "[    .    1    .    2]" 1 
       613 2 31 GLY H    2 32 VAL QG   . . 7.620 4.122 3.817 4.487     .  0 0 "[    .    1    .    2]" 1 
       614 2 32 VAL H    2 32 VAL HB   . . 3.270 2.729 2.525 2.987     .  0 0 "[    .    1    .    2]" 1 
       615 2 32 VAL H    2 33 SER H    . . 3.330 3.302 3.147 3.397 0.067  5 0 "[    .    1    .    2]" 1 
       616 2 32 VAL HA   2 33 SER H    . . 2.830 2.577 2.416 2.723     .  0 0 "[    .    1    .    2]" 1 
       617 2 32 VAL QG   2 33 SER H    . . 6.820 3.596 3.519 3.665     .  0 0 "[    .    1    .    2]" 1 
       618 2 33 SER H    2 33 SER HA   . . 2.900 2.895 2.855 2.917 0.017 14 0 "[    .    1    .    2]" 1 
       619 2 33 SER H    2 33 SER QB   . . 3.830 2.671 2.264 3.269     .  0 0 "[    .    1    .    2]" 1 
       620 2 33 SER H    2 34 ALA H    . . 4.690 3.957 3.077 4.507     .  0 0 "[    .    1    .    2]" 1 
       621 2 33 SER HA   2 34 ALA H    . . 2.650 2.371 2.220 2.556     .  0 0 "[    .    1    .    2]" 1 
       622 2 33 SER QB   2 34 ALA H    . . 4.550 3.695 2.492 4.120     .  0 0 "[    .    1    .    2]" 1 
       623 2 34 ALA H    2 35 ALA H    . . 3.360 3.187 2.511 3.370 0.010  2 0 "[    .    1    .    2]" 1 
       624 2 34 ALA HA   2 35 ALA H    . . 2.830 2.402 2.255 2.600     .  0 0 "[    .    1    .    2]" 1 
       625 2 35 ALA H    2 35 ALA HA   . . 2.860 2.644 2.211 2.876 0.016 11 0 "[    .    1    .    2]" 1 
       626 2 35 ALA H    2 36 ALA H    . . 3.890 3.341 2.819 3.846     .  0 0 "[    .    1    .    2]" 1 
       627 2 35 ALA HA   2 36 ALA H    . . 2.740 2.320 2.194 2.464     .  0 0 "[    .    1    .    2]" 1 
       628 2 35 ALA MB   2 36 ALA H    . . 4.420 3.652 3.451 3.769     .  0 0 "[    .    1    .    2]" 1 
       629 2 36 ALA H    2 36 ALA HA   . . 2.650 2.498 2.211 2.791 0.141 19 0 "[    .    1    .    2]" 1 
       630 2 36 ALA HA   2 37 ALA H    . . 2.620 2.342 2.188 2.616     .  0 0 "[    .    1    .    2]" 1 
       631 1  7 ILE H    1  7 ILE MG   . . 4.700 3.697 3.635 3.729     .  0 0 "[    .    1    .    2]" 1 
       632 1  7 ILE H    1  7 ILE QG   . . 4.390 2.350 2.167 2.795     .  0 0 "[    .    1    .    2]" 1 
       633 1  7 ILE H    1  7 ILE MD   . . 4.450 3.428 2.982 3.816     .  0 0 "[    .    1    .    2]" 1 
       634 1  7 ILE MG   1  8 ILE H    . . 5.720 3.631 3.432 3.797     .  0 0 "[    .    1    .    2]" 1 
       635 1  7 ILE MG   1 10 ALA H    . . 6.000 4.123 4.023 4.299     .  0 0 "[    .    1    .    2]" 1 
       636 1  7 ILE MD   1  8 ILE H    . . 6.530 4.715 4.489 4.915     .  0 0 "[    .    1    .    2]" 1 
       637 1  7 ILE MD   1 10 ALA H    . . 5.540 5.334 4.491 6.343 0.803 15 8 "[  ***-  **    +   *2]" 1 
       638 1  7 ILE MD   1 11 VAL H    . . 6.530 6.070 5.390 6.895 0.365 19 0 "[    .    1    .    2]" 1 
       639 1  7 ILE HA   1 10 ALA H    . . 4.450 3.188 3.083 3.254     .  0 0 "[    .    1    .    2]" 1 
       640 1  7 ILE HA   1 11 VAL H    . . 4.760 4.514 4.324 4.659     .  0 0 "[    .    1    .    2]" 1 
    stop_

save_


save_distance_constraint_statistics_2
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            2
    _Distance_constraint_stats_list.Constraint_count              88
    _Distance_constraint_stats_list.Viol_count                    239
    _Distance_constraint_stats_list.Viol_total                    247.471
    _Distance_constraint_stats_list.Viol_max                      0.099
    _Distance_constraint_stats_list.Viol_rms                      0.0199
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0070
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0518
    _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  3 THR 1.468 0.075 13 0 "[    .    1    .    2]" 
       1  4 LYS 1.087 0.099 19 0 "[    .    1    .    2]" 
       1  5 ASP 0.590 0.079  2 0 "[    .    1    .    2]" 
       1  6 GLN 1.468 0.075 13 0 "[    .    1    .    2]" 
       1  7 ILE 0.391 0.071 20 0 "[    .    1    .    2]" 
       1  8 ILE 2.365 0.099 19 0 "[    .    1    .    2]" 
       1  9 GLU 0.590 0.079  2 0 "[    .    1    .    2]" 
       1 10 ALA 0.008 0.008 15 0 "[    .    1    .    2]" 
       1 11 VAL 0.382 0.071 20 0 "[    .    1    .    2]" 
       1 12 ALA 1.278 0.095 19 0 "[    .    1    .    2]" 
       1 15 SER 0.447 0.092  3 0 "[    .    1    .    2]" 
       1 16 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 17 MET 0.047 0.047 17 0 "[    .    1    .    2]" 
       1 18 ASP 0.516 0.065 12 0 "[    .    1    .    2]" 
       1 19 VAL 0.447 0.092  3 0 "[    .    1    .    2]" 
       1 20 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 21 GLU 0.047 0.047 17 0 "[    .    1    .    2]" 
       1 22 LEU 0.516 0.065 12 0 "[    .    1    .    2]" 
       1 23 ILE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 25 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 26 MET 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 27 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
       2  3 THR 1.672 0.082 13 0 "[    .    1    .    2]" 
       2  4 LYS 1.072 0.089 17 0 "[    .    1    .    2]" 
       2  5 ASP 1.090 0.089  5 0 "[    .    1    .    2]" 
       2  6 GLN 1.672 0.082 13 0 "[    .    1    .    2]" 
       2  7 ILE 0.326 0.073 15 0 "[    .    1    .    2]" 
       2  8 ILE 2.459 0.094 16 0 "[    .    1    .    2]" 
       2  9 GLU 1.090 0.089  5 0 "[    .    1    .    2]" 
       2 10 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       2 11 VAL 0.326 0.073 15 0 "[    .    1    .    2]" 
       2 12 ALA 1.387 0.094 16 0 "[    .    1    .    2]" 
       2 15 SER 0.250 0.084  7 0 "[    .    1    .    2]" 
       2 16 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       2 17 MET 0.000 0.000  . 0 "[    .    1    .    2]" 
       2 18 ASP 0.728 0.084 19 0 "[    .    1    .    2]" 
       2 19 VAL 0.250 0.084  7 0 "[    .    1    .    2]" 
       2 20 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       2 21 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
       2 22 LEU 0.754 0.084 19 0 "[    .    1    .    2]" 
       2 23 ILE 0.000 0.000  . 0 "[    .    1    .    2]" 
       2 25 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       2 26 MET 0.026 0.020 15 0 "[    .    1    .    2]" 
       2 27 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
    stop_

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

        1 1  3 THR OG1 1  6 GLN N . 2.600 3.400 3.419 3.174 3.475 0.075 18 0 "[    .    1    .    2]" 2 
        2 1  3 THR OG1 1  6 GLN H .     . 2.500 2.507 2.195 2.575 0.075 13 0 "[    .    1    .    2]" 2 
        3 1  4 LYS O   1  7 ILE N . 2.700 3.400 2.915 2.801 3.004     .  0 0 "[    .    1    .    2]" 2 
        4 1  4 LYS C   1  7 ILE H . 2.300 3.500 2.644 2.585 2.712     .  0 0 "[    .    1    .    2]" 2 
        5 1  4 LYS O   1  7 ILE H .     . 2.400 2.092 1.969 2.212     .  0 0 "[    .    1    .    2]" 2 
        6 1  4 LYS O   1  8 ILE N . 2.600 3.300 3.169 3.094 3.222     .  0 0 "[    .    1    .    2]" 2 
        7 1  4 LYS C   1  8 ILE H . 2.600 3.500 3.376 3.291 3.438     .  0 0 "[    .    1    .    2]" 2 
        8 1  4 LYS O   1  8 ILE H .     . 2.300 2.352 2.260 2.399 0.099 19 0 "[    .    1    .    2]" 2 
        9 1  5 ASP O   1  9 GLU N . 2.600 3.300 3.168 2.983 3.291     .  0 0 "[    .    1    .    2]" 2 
       10 1  5 ASP C   1  9 GLU H . 2.600 3.500 3.429 3.250 3.559 0.059  2 0 "[    .    1    .    2]" 2 
       11 1  5 ASP O   1  9 GLU H .     . 2.300 2.246 2.044 2.379 0.079  2 0 "[    .    1    .    2]" 2 
       12 1  7 ILE O   1 10 ALA N . 2.700 3.400 2.929 2.748 3.167     .  0 0 "[    .    1    .    2]" 2 
       13 1  7 ILE C   1 10 ALA H . 2.300 3.500 2.486 2.421 2.592     .  0 0 "[    .    1    .    2]" 2 
       14 1  7 ILE O   1 10 ALA H .     . 2.400 2.142 1.961 2.408 0.008 15 0 "[    .    1    .    2]" 2 
       15 1  7 ILE O   1 11 VAL N . 2.600 3.300 3.108 2.971 3.234     .  0 0 "[    .    1    .    2]" 2 
       16 1  7 ILE C   1 11 VAL H . 2.600 3.500 3.364 3.219 3.471     .  0 0 "[    .    1    .    2]" 2 
       17 1  7 ILE O   1 11 VAL H .     . 2.300 2.270 2.076 2.371 0.071 20 0 "[    .    1    .    2]" 2 
       18 1  8 ILE O   1 12 ALA N . 2.700 3.300 3.166 2.989 3.252     .  0 0 "[    .    1    .    2]" 2 
       19 1  8 ILE C   1 12 ALA H . 2.300 3.500 3.379 3.270 3.433     .  0 0 "[    .    1    .    2]" 2 
       20 1  8 ILE O   1 12 ALA H .     . 2.300 2.356 2.201 2.395 0.095 19 0 "[    .    1    .    2]" 2 
       21 1 15 SER O   1 19 VAL N . 2.600 3.300 3.046 2.867 3.210     .  0 0 "[    .    1    .    2]" 2 
       22 1 15 SER C   1 19 VAL H . 2.600 3.500 3.283 3.145 3.427     .  0 0 "[    .    1    .    2]" 2 
       23 1 15 SER O   1 19 VAL H .     . 2.300 2.249 2.084 2.392 0.092  3 0 "[    .    1    .    2]" 2 
       24 1 16 VAL O   1 20 VAL N . 2.600 3.300 2.785 2.706 2.840     .  0 0 "[    .    1    .    2]" 2 
       25 1 16 VAL C   1 20 VAL H . 2.600 3.500 3.037 2.972 3.141     .  0 0 "[    .    1    .    2]" 2 
       26 1 16 VAL O   1 20 VAL H .     . 2.300 1.948 1.835 2.067     .  0 0 "[    .    1    .    2]" 2 
       27 1 17 MET O   1 21 GLU N . 2.600 3.300 3.005 2.882 3.290     .  0 0 "[    .    1    .    2]" 2 
       28 1 17 MET C   1 21 GLU H . 2.600 3.500 3.226 3.105 3.488     .  0 0 "[    .    1    .    2]" 2 
       29 1 17 MET O   1 21 GLU H .     . 2.300 2.061 1.920 2.347 0.047 17 0 "[    .    1    .    2]" 2 
       30 1 18 ASP O   1 22 LEU N . 2.600 3.300 3.238 3.038 3.333 0.033 17 0 "[    .    1    .    2]" 2 
       31 1 18 ASP C   1 22 LEU H . 2.600 3.500 3.241 3.040 3.351     .  0 0 "[    .    1    .    2]" 2 
       32 1 18 ASP O   1 22 LEU H .     . 2.300 2.282 2.079 2.365 0.065 12 0 "[    .    1    .    2]" 2 
       33 1 19 VAL O   1 23 ILE N . 2.600 3.300 2.898 2.784 3.064     .  0 0 "[    .    1    .    2]" 2 
       34 1 19 VAL C   1 23 ILE H . 2.600 3.500 3.074 2.955 3.203     .  0 0 "[    .    1    .    2]" 2 
       35 1 19 VAL O   1 23 ILE H .     . 2.300 1.916 1.806 2.074     .  0 0 "[    .    1    .    2]" 2 
       36 1 21 GLU O   1 25 ALA N . 2.600 3.300 2.749 2.693 2.832     .  0 0 "[    .    1    .    2]" 2 
       37 1 21 GLU C   1 25 ALA H . 2.600 3.500 2.977 2.912 3.054     .  0 0 "[    .    1    .    2]" 2 
       38 1 21 GLU O   1 25 ALA H .     . 2.300 1.881 1.832 1.952     .  0 0 "[    .    1    .    2]" 2 
       39 1 22 LEU O   1 26 MET N . 2.600 3.300 3.055 2.884 3.165     .  0 0 "[    .    1    .    2]" 2 
       40 1 22 LEU C   1 26 MET H . 2.600 3.500 3.333 3.138 3.439     .  0 0 "[    .    1    .    2]" 2 
       41 1 22 LEU O   1 26 MET H .     . 2.300 2.135 1.935 2.248     .  0 0 "[    .    1    .    2]" 2 
       42 1 23 ILE O   1 27 GLU N . 2.600 3.300 2.935 2.821 3.087     .  0 0 "[    .    1    .    2]" 2 
       43 1 23 ILE C   1 27 GLU H . 2.600 3.500 3.092 2.980 3.193     .  0 0 "[    .    1    .    2]" 2 
       44 1 23 ILE O   1 27 GLU H .     . 2.300 1.986 1.875 2.140     .  0 0 "[    .    1    .    2]" 2 
       45 2  3 THR OG1 2  6 GLN N . 2.600 3.400 3.422 3.192 3.482 0.082 13 0 "[    .    1    .    2]" 2 
       46 2  3 THR OG1 2  6 GLN H .     . 2.500 2.506 2.232 2.563 0.063 18 0 "[    .    1    .    2]" 2 
       47 2  4 LYS O   2  7 ILE N . 2.700 3.400 2.900 2.821 3.038     .  0 0 "[    .    1    .    2]" 2 
       48 2  4 LYS C   2  7 ILE H . 2.300 3.500 2.633 2.572 2.703     .  0 0 "[    .    1    .    2]" 2 
       49 2  4 LYS O   2  7 ILE H .     . 2.400 2.075 1.970 2.211     .  0 0 "[    .    1    .    2]" 2 
       50 2  4 LYS O   2  8 ILE N . 2.600 3.300 3.152 3.052 3.199     .  0 0 "[    .    1    .    2]" 2 
       51 2  4 LYS C   2  8 ILE H . 2.600 3.500 3.370 3.260 3.412     .  0 0 "[    .    1    .    2]" 2 
       52 2  4 LYS O   2  8 ILE H .     . 2.300 2.347 2.221 2.389 0.089 17 0 "[    .    1    .    2]" 2 
       53 2  5 ASP O   2  9 GLU N . 2.600 3.300 3.213 3.032 3.307 0.007 18 0 "[    .    1    .    2]" 2 
       54 2  5 ASP C   2  9 GLU H . 2.600 3.500 3.477 3.319 3.558 0.058 13 0 "[    .    1    .    2]" 2 
       55 2  5 ASP O   2  9 GLU H .     . 2.300 2.301 2.117 2.389 0.089  5 0 "[    .    1    .    2]" 2 
       56 2  7 ILE O   2 10 ALA N . 2.700 3.400 2.921 2.756 3.106     .  0 0 "[    .    1    .    2]" 2 
       57 2  7 ILE C   2 10 ALA H . 2.300 3.500 2.469 2.398 2.570     .  0 0 "[    .    1    .    2]" 2 
       58 2  7 ILE O   2 10 ALA H .     . 2.400 2.140 1.944 2.363     .  0 0 "[    .    1    .    2]" 2 
       59 2  7 ILE O   2 11 VAL N . 2.600 3.300 3.071 2.867 3.220     .  0 0 "[    .    1    .    2]" 2 
       60 2  7 ILE C   2 11 VAL H . 2.600 3.500 3.327 3.131 3.501 0.001  7 0 "[    .    1    .    2]" 2 
       61 2  7 ILE O   2 11 VAL H .     . 2.300 2.210 1.976 2.373 0.073 15 0 "[    .    1    .    2]" 2 
       62 2  8 ILE O   2 12 ALA N . 2.700 3.400 3.250 3.139 3.365     .  0 0 "[    .    1    .    2]" 2 
       63 2  8 ILE C   2 12 ALA H . 2.300 3.500 3.442 3.391 3.484     .  0 0 "[    .    1    .    2]" 2 
       64 2  8 ILE O   2 12 ALA H .     . 2.400 2.469 2.427 2.494 0.094 16 0 "[    .    1    .    2]" 2 
       65 2 15 SER O   2 19 VAL N . 2.600 3.300 3.009 2.827 3.162     .  0 0 "[    .    1    .    2]" 2 
       66 2 15 SER C   2 19 VAL H . 2.600 3.500 3.260 3.084 3.406     .  0 0 "[    .    1    .    2]" 2 
       67 2 15 SER O   2 19 VAL H .     . 2.300 2.217 2.014 2.384 0.084  7 0 "[    .    1    .    2]" 2 
       68 2 16 VAL O   2 20 VAL N . 2.600 3.300 2.789 2.698 2.961     .  0 0 "[    .    1    .    2]" 2 
       69 2 16 VAL C   2 20 VAL H . 2.600 3.500 3.048 2.969 3.221     .  0 0 "[    .    1    .    2]" 2 
       70 2 16 VAL O   2 20 VAL H .     . 2.300 1.962 1.856 2.174     .  0 0 "[    .    1    .    2]" 2 
       71 2 17 MET O   2 21 GLU N . 2.600 3.300 3.000 2.887 3.209     .  0 0 "[    .    1    .    2]" 2 
       72 2 17 MET C   2 21 GLU H . 2.600 3.500 3.219 3.094 3.405     .  0 0 "[    .    1    .    2]" 2 
       73 2 17 MET O   2 21 GLU H .     . 2.300 2.057 1.902 2.262     .  0 0 "[    .    1    .    2]" 2 
       74 2 18 ASP O   2 22 LEU N . 2.600 3.300 3.197 2.937 3.355 0.055  6 0 "[    .    1    .    2]" 2 
       75 2 18 ASP C   2 22 LEU H . 2.600 3.500 3.205 2.984 3.393     .  0 0 "[    .    1    .    2]" 2 
       76 2 18 ASP O   2 22 LEU H .     . 2.300 2.238 1.986 2.384 0.084 19 0 "[    .    1    .    2]" 2 
       77 2 19 VAL O   2 23 ILE N . 2.600 3.300 2.902 2.808 3.020     .  0 0 "[    .    1    .    2]" 2 
       78 2 19 VAL C   2 23 ILE H . 2.600 3.500 3.060 2.949 3.142     .  0 0 "[    .    1    .    2]" 2 
       79 2 19 VAL O   2 23 ILE H .     . 2.300 1.917 1.834 2.041     .  0 0 "[    .    1    .    2]" 2 
       80 2 21 GLU O   2 25 ALA N . 2.600 3.300 2.773 2.714 2.893     .  0 0 "[    .    1    .    2]" 2 
       81 2 21 GLU C   2 25 ALA H . 2.600 3.500 2.998 2.943 3.113     .  0 0 "[    .    1    .    2]" 2 
       82 2 21 GLU O   2 25 ALA H .     . 2.300 1.905 1.855 2.014     .  0 0 "[    .    1    .    2]" 2 
       83 2 22 LEU O   2 26 MET N . 2.600 3.300 3.095 2.927 3.247     .  0 0 "[    .    1    .    2]" 2 
       84 2 22 LEU C   2 26 MET H . 2.600 3.500 3.374 3.222 3.506 0.006 15 0 "[    .    1    .    2]" 2 
       85 2 22 LEU O   2 26 MET H .     . 2.300 2.177 2.036 2.320 0.020 15 0 "[    .    1    .    2]" 2 
       86 2 23 ILE O   2 27 GLU N . 2.600 3.300 2.916 2.779 3.210     .  0 0 "[    .    1    .    2]" 2 
       87 2 23 ILE C   2 27 GLU H . 2.600 3.500 3.085 2.986 3.394     .  0 0 "[    .    1    .    2]" 2 
       88 2 23 ILE O   2 27 GLU H .     . 2.300 1.956 1.811 2.239     .  0 0 "[    .    1    .    2]" 2 
    stop_

save_



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