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
382279 1jem cing 4-filtered-FRED Wattos check violation distance


data_1jem


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              395
    _Distance_constraint_stats_list.Viol_count                    301
    _Distance_constraint_stats_list.Viol_total                    241.119
    _Distance_constraint_stats_list.Viol_max                      0.124
    _Distance_constraint_stats_list.Viol_rms                      0.0074
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0010
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0320
    _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 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1  2 GLN 0.856 0.055  3 0 "[    .    1    .    2    .]" 
       1  3 LYS 0.977 0.055  3 0 "[    .    1    .    2    .]" 
       1  4 THR 0.018 0.011 17 0 "[    .    1    .    2    .]" 
       1  5 PHE 0.264 0.029 19 0 "[    .    1    .    2    .]" 
       1  6 LYS 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1  7 VAL 0.217 0.025 13 0 "[    .    1    .    2    .]" 
       1  8 THR 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1  9 ALA 0.979 0.060  3 0 "[    .    1    .    2    .]" 
       1 10 ASP 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 12 GLY 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 13 ILE 0.196 0.038 19 0 "[    .    1    .    2    .]" 
       1 15 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 16 ARG 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 17 PRO 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 18 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 19 THR 0.102 0.018  6 0 "[    .    1    .    2    .]" 
       1 20 VAL 1.824 0.099 17 0 "[    .    1    .    2    .]" 
       1 21 LEU 1.824 0.099 17 0 "[    .    1    .    2    .]" 
       1 22 VAL 0.000 0.000 20 0 "[    .    1    .    2    .]" 
       1 23 GLN 0.000 0.000 20 0 "[    .    1    .    2    .]" 
       1 24 THR 0.047 0.030 22 0 "[    .    1    .    2    .]" 
       1 25 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 26 SER 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 27 LYS 0.105 0.039 16 0 "[    .    1    .    2    .]" 
       1 28 TYR 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 29 ASP 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 30 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 31 ASP 0.008 0.006  3 0 "[    .    1    .    2    .]" 
       1 32 VAL 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 33 ASN 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 34 LEU 0.287 0.042  2 0 "[    .    1    .    2    .]" 
       1 35 GLU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 36 TYR 0.221 0.057 21 0 "[    .    1    .    2    .]" 
       1 37 ASN 0.214 0.057 21 0 "[    .    1    .    2    .]" 
       1 38 GLY 1.181 0.106 21 0 "[    .    1    .    2    .]" 
       1 39 LYS 0.027 0.016 12 0 "[    .    1    .    2    .]" 
       1 40 THR 0.012 0.006 18 0 "[    .    1    .    2    .]" 
       1 41 VAL 0.580 0.051  8 0 "[    .    1    .    2    .]" 
       1 42 ASN 0.580 0.051  8 0 "[    .    1    .    2    .]" 
       1 43 LEU 0.287 0.042  2 0 "[    .    1    .    2    .]" 
       1 44 LYS 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 45 SER 1.633 0.086  5 0 "[    .    1    .    2    .]" 
       1 46 ILE 1.633 0.086  5 0 "[    .    1    .    2    .]" 
       1 47 MET 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 48 GLY 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 49 VAL 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 50 VAL 0.060 0.060 12 0 "[    .    1    .    2    .]" 
       1 51 SER 0.060 0.060 12 0 "[    .    1    .    2    .]" 
       1 52 LEU 0.018 0.013 25 0 "[    .    1    .    2    .]" 
       1 53 GLY 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 54 ILE 0.018 0.013 25 0 "[    .    1    .    2    .]" 
       1 55 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 56 LYS 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 57 GLY 0.217 0.025 13 0 "[    .    1    .    2    .]" 
       1 58 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 59 GLU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 60 ILE 0.202 0.023 24 0 "[    .    1    .    2    .]" 
       1 61 THR 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 62 ILE 0.542 0.124  2 0 "[    .    1    .    2    .]" 
       1 63 SER 0.290 0.124  2 0 "[    .    1    .    2    .]" 
       1 64 ALA 0.093 0.035 18 0 "[    .    1    .    2    .]" 
       1 65 SER 0.008 0.006  3 0 "[    .    1    .    2    .]" 
       1 66 GLY 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 67 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 68 ASP 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 69 GLU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 70 ASN 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 71 ASP 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 72 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 73 LEU 0.116 0.022 16 0 "[    .    1    .    2    .]" 
       1 74 ASN 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 75 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 76 LEU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 77 GLU 0.116 0.022 16 0 "[    .    1    .    2    .]" 
       1 78 GLU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 79 THR 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 80 MET 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 81 LYS 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 82 SER 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 83 GLU 0.185 0.024  6 0 "[    .    1    .    2    .]" 
       1 84 GLY 0.016 0.008 14 0 "[    .    1    .    2    .]" 
       1 85 LEU 0.185 0.024  6 0 "[    .    1    .    2    .]" 
       1 86 GLY 0.016 0.008 14 0 "[    .    1    .    2    .]" 
       1 87 GLU 0.007 0.007 19 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 ALA HA   1  2 GLN H    1.800 . 3.850 2.842 2.178 3.590     .  0 0 "[    .    1    .    2    .]" 1 
         2 1  1 ALA MB   1  2 GLN H    1.800 . 6.000 3.391 2.260 3.721     .  0 0 "[    .    1    .    2    .]" 1 
         3 1  2 GLN H    1 73 LEU MD2  1.800 . 6.000 3.651 2.582 4.547     .  0 0 "[    .    1    .    2    .]" 1 
         4 1  2 GLN H    1  2 GLN HB3  1.800 . 3.850 3.115 2.569 3.665     .  0 0 "[    .    1    .    2    .]" 1 
         5 1  3 LYS H    1 62 ILE H    1.800 . 3.850 3.714 3.331 3.874 0.024 14 0 "[    .    1    .    2    .]" 1 
         6 1  3 LYS H    1 73 LEU MD2  1.800 . 6.000 4.357 3.710 4.967     .  0 0 "[    .    1    .    2    .]" 1 
         7 1  3 LYS H    1 62 ILE MD   1.800 . 6.000 4.766 4.246 4.999     .  0 0 "[    .    1    .    2    .]" 1 
         8 1  3 LYS H    1 62 ILE MG   1.800 . 4.350 3.654 3.641 3.666     .  0 0 "[    .    1    .    2    .]" 1 
         9 1  3 LYS H    1  3 LYS HB3  1.800 . 3.850 3.273 2.788 3.787     .  0 0 "[    .    1    .    2    .]" 1 
        10 1  3 LYS H    1  3 LYS HB2  1.800 . 3.850 2.909 2.641 3.275     .  0 0 "[    .    1    .    2    .]" 1 
        11 1  2 GLN HB2  1  3 LYS H    1.800 . 3.850 2.735 2.642 2.814     .  0 0 "[    .    1    .    2    .]" 1 
        12 1  2 GLN HB3  1  3 LYS H    1.800 . 3.850 3.884 3.859 3.905 0.055  3 0 "[    .    1    .    2    .]" 1 
        13 1  3 LYS HA   1  4 THR H    1.800 . 2.850 2.300 2.190 2.473     .  0 0 "[    .    1    .    2    .]" 1 
        14 1  4 THR H    1  4 THR HB   1.800 . 2.850 2.645 2.557 2.752     .  0 0 "[    .    1    .    2    .]" 1 
        15 1  3 LYS HB2  1  4 THR H    1.800 . 4.500 4.213 3.917 4.502 0.002  2 0 "[    .    1    .    2    .]" 1 
        16 1  3 LYS HB3  1  4 THR H    1.800 . 3.850 3.419 2.802 3.861 0.011 17 0 "[    .    1    .    2    .]" 1 
        17 1  4 THR H    1  4 THR MG   1.800 . 5.000 3.836 3.807 3.902     .  0 0 "[    .    1    .    2    .]" 1 
        18 1  5 PHE H    1 60 ILE H    1.800 . 3.850 3.645 3.289 3.862 0.012 14 0 "[    .    1    .    2    .]" 1 
        19 1  5 PHE H    1  5 PHE QD   1.800 . 3.850 2.719 2.271 3.271     .  0 0 "[    .    1    .    2    .]" 1 
        20 1  4 THR HA   1  5 PHE H    1.800 . 2.850 2.269 2.179 2.450     .  0 0 "[    .    1    .    2    .]" 1 
        21 1  4 THR HB   1  5 PHE H    1.800 . 4.500 3.900 3.370 4.259     .  0 0 "[    .    1    .    2    .]" 1 
        22 1  5 PHE H    1  5 PHE HB3  1.800 . 3.850 3.779 3.657 3.879 0.029 19 0 "[    .    1    .    2    .]" 1 
        23 1  5 PHE H    1  5 PHE HB2  1.800 . 3.850 2.613 2.414 2.785     .  0 0 "[    .    1    .    2    .]" 1 
        24 1  5 PHE H    1 60 ILE HG13 1.800 . 3.850 2.700 2.375 3.136     .  0 0 "[    .    1    .    2    .]" 1 
        25 1  4 THR MG   1  5 PHE H    1.800 . 5.000 2.325 1.951 2.885     .  0 0 "[    .    1    .    2    .]" 1 
        26 1  5 PHE H    1 60 ILE HG12 1.800 . 3.850 3.835 3.652 3.873 0.023 24 0 "[    .    1    .    2    .]" 1 
        27 1  5 PHE H    1 60 ILE MD   1.800 . 6.000 4.047 3.709 4.508     .  0 0 "[    .    1    .    2    .]" 1 
        28 1  6 LYS H    1 87 GLU H    1.800 . 3.850 3.113 2.225 3.810     .  0 0 "[    .    1    .    2    .]" 1 
        29 1  5 PHE QD   1  6 LYS H    1.800 . 3.850 3.779 3.592 3.817     .  0 0 "[    .    1    .    2    .]" 1 
        30 1  5 PHE HA   1  6 LYS H    1.800 . 2.850 2.371 2.257 2.535     .  0 0 "[    .    1    .    2    .]" 1 
        31 1  5 PHE HB3  1  6 LYS H    1.800 . 3.850 2.662 2.267 3.003     .  0 0 "[    .    1    .    2    .]" 1 
        32 1  6 LYS H    1  6 LYS QB   1.800 . 3.850 2.417 2.227 2.602     .  0 0 "[    .    1    .    2    .]" 1 
        33 1  6 LYS H    1  6 LYS QD   1.800 . 5.500 4.365 3.836 4.766     .  0 0 "[    .    1    .    2    .]" 1 
        34 1  4 THR MG   1  6 LYS H    1.800 . 6.000 4.899 4.634 5.003     .  0 0 "[    .    1    .    2    .]" 1 
        35 1  7 VAL H    1 58 ALA H    1.800 . 4.500 3.424 2.977 3.780     .  0 0 "[    .    1    .    2    .]" 1 
        36 1  7 VAL H    1 59 GLU HA   1.800 . 4.500 3.106 2.654 3.474     .  0 0 "[    .    1    .    2    .]" 1 
        37 1  6 LYS HA   1  7 VAL H    1.800 . 2.850 2.195 2.172 2.235     .  0 0 "[    .    1    .    2    .]" 1 
        38 1  7 VAL H    1  7 VAL HB   1.800 . 2.850 2.624 2.566 2.713     .  0 0 "[    .    1    .    2    .]" 1 
        39 1  7 VAL H    1 58 ALA MB   1.800 . 5.000 3.825 3.326 4.176     .  0 0 "[    .    1    .    2    .]" 1 
        40 1  6 LYS QD   1  7 VAL H    1.800 . 3.850 3.182 2.215 3.459     .  0 0 "[    .    1    .    2    .]" 1 
        41 1  7 VAL H    1  7 VAL MG1  1.800 . 5.000 3.800 3.768 3.819     .  0 0 "[    .    1    .    2    .]" 1 
        42 1  7 VAL H    1  7 VAL MG2  1.800 . 3.350 2.136 1.961 2.328     .  0 0 "[    .    1    .    2    .]" 1 
        43 1  8 THR H    1  9 ALA H    1.800 . 2.850 2.120 1.977 2.457     .  0 0 "[    .    1    .    2    .]" 1 
        44 1  8 THR H    1 86 GLY HA3  1.800 . 3.850 3.314 2.277 3.848     .  0 0 "[    .    1    .    2    .]" 1 
        45 1  8 THR H    1 86 GLY HA2  1.800 . 3.850 2.574 2.017 3.227     .  0 0 "[    .    1    .    2    .]" 1 
        46 1  8 THR H    1  9 ALA MB   1.800 . 6.000 3.654 3.513 3.830     .  0 0 "[    .    1    .    2    .]" 1 
        47 1  8 THR H    1  8 THR MG   1.800 . 5.000 3.944 3.876 4.016     .  0 0 "[    .    1    .    2    .]" 1 
        48 1  7 VAL MG1  1  8 THR H    1.800 . 6.000 2.889 2.300 3.236     .  0 0 "[    .    1    .    2    .]" 1 
        49 1  7 VAL MG2  1  8 THR H    1.800 . 6.000 4.233 4.114 4.289     .  0 0 "[    .    1    .    2    .]" 1 
        50 1  9 ALA H    1  9 ALA HA   1.800 . 2.850 2.887 2.835 2.910 0.060  3 0 "[    .    1    .    2    .]" 1 
        51 1  9 ALA H    1  9 ALA MB   1.800 . 4.350 2.204 2.102 2.272     .  0 0 "[    .    1    .    2    .]" 1 
        52 1  8 THR MG   1  9 ALA H    1.800 . 6.000 4.233 4.048 4.363     .  0 0 "[    .    1    .    2    .]" 1 
        53 1  7 VAL MG1  1  9 ALA H    1.800 . 4.350 2.527 2.128 2.894     .  0 0 "[    .    1    .    2    .]" 1 
        54 1  7 VAL MG2  1  9 ALA H    1.800 . 6.000 4.905 4.811 5.015     .  0 0 "[    .    1    .    2    .]" 1 
        55 1  9 ALA H    1 85 LEU MD2  1.800 . 6.000 4.769 4.280 5.002     .  0 0 "[    .    1    .    2    .]" 1 
        56 1  9 ALA MB   1 10 ASP H    1.800 . 6.000 2.822 2.551 3.016     .  0 0 "[    .    1    .    2    .]" 1 
        57 1 12 GLY H    1 12 GLY HA2  1.800 . 2.850 2.415 2.343 2.475     .  0 0 "[    .    1    .    2    .]" 1 
        58 1  9 ALA MB   1 12 GLY H    1.800 . 5.000 2.182 1.976 2.607     .  0 0 "[    .    1    .    2    .]" 1 
        59 1  7 VAL MG1  1 12 GLY H    1.800 . 6.000 4.271 3.738 4.958     .  0 0 "[    .    1    .    2    .]" 1 
        60 1 13 ILE H    1 55 ALA HA   1.800 . 5.500 3.742 3.182 4.420     .  0 0 "[    .    1    .    2    .]" 1 
        61 1 12 GLY HA3  1 13 ILE H    1.800 . 2.850 2.308 2.187 2.456     .  0 0 "[    .    1    .    2    .]" 1 
        62 1 12 GLY HA2  1 13 ILE H    1.800 . 3.850 2.982 2.777 3.216     .  0 0 "[    .    1    .    2    .]" 1 
        63 1 13 ILE H    1 13 ILE HB   1.800 . 3.850 2.674 2.538 2.825     .  0 0 "[    .    1    .    2    .]" 1 
        64 1 13 ILE H    1 54 ILE HB   1.800 . 3.850 2.381 1.988 2.901     .  0 0 "[    .    1    .    2    .]" 1 
        65 1 13 ILE H    1 13 ILE HG13 1.800 . 3.850 2.878 2.385 3.886 0.036 20 0 "[    .    1    .    2    .]" 1 
        66 1 13 ILE H    1 13 ILE HG12 1.800 . 3.850 3.460 2.327 3.888 0.038 19 0 "[    .    1    .    2    .]" 1 
        67 1 13 ILE H    1 13 ILE MD   1.800 . 5.000 3.684 3.099 4.025     .  0 0 "[    .    1    .    2    .]" 1 
        68 1 13 ILE H    1 54 ILE MG   1.800 . 6.000 2.948 2.311 3.651     .  0 0 "[    .    1    .    2    .]" 1 
        69 1 15 ALA H    1 15 ALA MB   1.800 . 4.350 2.106 2.075 2.203     .  0 0 "[    .    1    .    2    .]" 1 
        70 1 15 ALA HA   1 16 ARG H    1.800 . 4.500 3.591 3.547 3.615     .  0 0 "[    .    1    .    2    .]" 1 
        71 1 16 ARG H    1 17 PRO HD3  1.800 . 3.850 3.082 2.938 3.224     .  0 0 "[    .    1    .    2    .]" 1 
        72 1 16 ARG H    1 17 PRO HD2  1.800 . 3.850 2.318 2.164 2.415     .  0 0 "[    .    1    .    2    .]" 1 
        73 1 15 ALA MB   1 16 ARG H    1.800 . 5.000 2.620 2.465 2.870     .  0 0 "[    .    1    .    2    .]" 1 
        74 1 16 ARG H    1 16 ARG HB2  1.800 . 2.850 2.183 2.112 2.496     .  0 0 "[    .    1    .    2    .]" 1 
        75 1 17 PRO HA   1 18 ALA H    1.800 . 4.500 3.485 3.446 3.509     .  0 0 "[    .    1    .    2    .]" 1 
        76 1 15 ALA HA   1 18 ALA H    1.800 . 4.500 3.389 3.322 3.474     .  0 0 "[    .    1    .    2    .]" 1 
        77 1 17 PRO HD3  1 18 ALA H    1.800 . 5.500 3.828 3.734 3.937     .  0 0 "[    .    1    .    2    .]" 1 
        78 1 17 PRO HD2  1 18 ALA H    1.800 . 4.500 2.586 2.420 2.776     .  0 0 "[    .    1    .    2    .]" 1 
        79 1 17 PRO HG3  1 18 ALA H    1.800 . 5.500 4.277 4.156 4.454     .  0 0 "[    .    1    .    2    .]" 1 
        80 1 17 PRO HG2  1 18 ALA H    1.800 . 3.850 2.995 2.849 3.194     .  0 0 "[    .    1    .    2    .]" 1 
        81 1 17 PRO HB2  1 18 ALA H    1.800 . 3.850 3.590 3.477 3.741     .  0 0 "[    .    1    .    2    .]" 1 
        82 1 18 ALA H    1 18 ALA MB   1.800 . 4.350 2.223 2.081 2.279     .  0 0 "[    .    1    .    2    .]" 1 
        83 1 13 ILE MG   1 18 ALA H    1.800 . 5.000 3.951 3.675 4.162     .  0 0 "[    .    1    .    2    .]" 1 
        84 1 18 ALA H    1 46 ILE MG   1.800 . 5.000 3.912 3.682 4.170     .  0 0 "[    .    1    .    2    .]" 1 
        85 1 19 THR H    1 20 VAL H    1.800 . 3.850 2.340 2.277 2.417     .  0 0 "[    .    1    .    2    .]" 1 
        86 1 16 ARG HA   1 19 THR H    1.800 . 4.500 3.731 3.601 3.797     .  0 0 "[    .    1    .    2    .]" 1 
        87 1 19 THR H    1 19 THR HB   1.800 . 2.850 2.836 2.678 2.868 0.018  6 0 "[    .    1    .    2    .]" 1 
        88 1 19 THR H    1 46 ILE MG   1.800 . 4.350 3.341 3.034 3.661     .  0 0 "[    .    1    .    2    .]" 1 
        89 1 18 ALA MB   1 19 THR H    1.800 . 4.350 2.884 2.717 2.974     .  0 0 "[    .    1    .    2    .]" 1 
        90 1 20 VAL H    1 21 LEU H    1.800 . 3.850 2.501 2.449 2.619     .  0 0 "[    .    1    .    2    .]" 1 
        91 1 19 THR HB   1 20 VAL H    1.800 . 3.850 2.870 2.784 2.971     .  0 0 "[    .    1    .    2    .]" 1 
        92 1 17 PRO HA   1 20 VAL H    1.800 . 3.850 3.258 3.196 3.368     .  0 0 "[    .    1    .    2    .]" 1 
        93 1 19 THR HA   1 20 VAL H    1.800 . 4.500 3.511 3.500 3.521     .  0 0 "[    .    1    .    2    .]" 1 
        94 1 20 VAL H    1 20 VAL HB   1.800 . 3.850 2.621 2.574 2.682     .  0 0 "[    .    1    .    2    .]" 1 
        95 1 20 VAL H    1 21 LEU HG   1.800 . 4.500 4.220 4.079 4.468     .  0 0 "[    .    1    .    2    .]" 1 
        96 1 20 VAL H    1 21 LEU HB2  1.800 . 4.500 4.573 4.547 4.599 0.099 17 0 "[    .    1    .    2    .]" 1 
        97 1 21 LEU H    1 22 VAL H    1.800 . 3.850 2.684 2.565 2.858     .  0 0 "[    .    1    .    2    .]" 1 
        98 1 18 ALA HA   1 21 LEU H    1.800 . 3.850 3.598 3.505 3.722     .  0 0 "[    .    1    .    2    .]" 1 
        99 1 21 LEU H    1 21 LEU HB3  1.800 . 3.850 3.576 3.566 3.587     .  0 0 "[    .    1    .    2    .]" 1 
       100 1 21 LEU H    1 21 LEU HG   1.800 . 2.850 2.245 2.098 2.431     .  0 0 "[    .    1    .    2    .]" 1 
       101 1 21 LEU H    1 21 LEU HB2  1.800 . 3.850 2.379 2.338 2.441     .  0 0 "[    .    1    .    2    .]" 1 
       102 1 21 LEU H    1 21 LEU QD   1.800 . 6.000 3.087 2.865 3.141     .  0 0 "[    .    1    .    2    .]" 1 
       103 1 58 ALA HA   1 59 GLU H    1.800 . 2.850 2.482 2.185 2.661     .  0 0 "[    .    1    .    2    .]" 1 
       104 1 21 LEU HA   1 22 VAL H    1.800 . 5.500 3.588 3.573 3.596     .  0 0 "[    .    1    .    2    .]" 1 
       105 1 19 THR HA   1 22 VAL H    1.800 . 3.850 3.617 3.497 3.808     .  0 0 "[    .    1    .    2    .]" 1 
       106 1 21 LEU HB2  1 22 VAL H    1.800 . 3.850 2.428 2.270 2.554     .  0 0 "[    .    1    .    2    .]" 1 
       107 1 21 LEU QD   1 22 VAL H    1.800 . 6.000 3.978 3.828 4.056     .  0 0 "[    .    1    .    2    .]" 1 
       108 1 22 VAL H    1 22 VAL MG1  1.800 . 4.350 2.056 1.962 2.189     .  0 0 "[    .    1    .    2    .]" 1 
       109 1 23 GLN H    1 24 THR H    1.800 . 3.850 2.618 2.523 2.799     .  0 0 "[    .    1    .    2    .]" 1 
       110 1 22 VAL H    1 23 GLN H    1.800 . 2.850 2.745 2.644 2.850 0.000 20 0 "[    .    1    .    2    .]" 1 
       111 1 23 GLN H    1 23 GLN QG   1.800 . 3.850 2.698 2.389 2.872     .  0 0 "[    .    1    .    2    .]" 1 
       112 1 24 THR H    1 24 THR HB   1.800 . 2.850 2.749 2.567 2.880 0.030 22 0 "[    .    1    .    2    .]" 1 
       113 1 21 LEU HA   1 24 THR H    1.800 . 4.500 3.414 3.260 3.623     .  0 0 "[    .    1    .    2    .]" 1 
       114 1 23 GLN HB3  1 24 THR H    1.800 . 3.850 3.426 3.157 3.668     .  0 0 "[    .    1    .    2    .]" 1 
       115 1 23 GLN HB2  1 24 THR H    1.800 . 3.850 2.644 2.366 2.962     .  0 0 "[    .    1    .    2    .]" 1 
       116 1 20 VAL MG1  1 24 THR H    1.800 . 6.000 4.494 4.339 4.708     .  0 0 "[    .    1    .    2    .]" 1 
       117 1 24 THR H    1 24 THR MG   1.800 . 6.000 3.741 3.688 3.782     .  0 0 "[    .    1    .    2    .]" 1 
       118 1 25 ALA H    1 26 SER H    1.800 . 3.850 2.757 2.687 2.824     .  0 0 "[    .    1    .    2    .]" 1 
       119 1 24 THR H    1 25 ALA H    1.800 . 3.850 2.877 2.700 2.963     .  0 0 "[    .    1    .    2    .]" 1 
       120 1 24 THR HB   1 25 ALA H    1.800 . 3.850 2.117 1.994 2.282     .  0 0 "[    .    1    .    2    .]" 1 
       121 1 22 VAL HA   1 25 ALA H    1.800 . 4.500 4.006 3.818 4.271     .  0 0 "[    .    1    .    2    .]" 1 
       122 1 24 THR H    1 25 ALA MB   1.800 . 6.000 4.431 4.313 4.518     .  0 0 "[    .    1    .    2    .]" 1 
       123 1 25 ALA H    1 25 ALA MB   1.800 . 4.350 2.213 2.120 2.249     .  0 0 "[    .    1    .    2    .]" 1 
       124 1 24 THR MG   1 25 ALA H    1.800 . 5.000 3.384 3.016 3.630     .  0 0 "[    .    1    .    2    .]" 1 
       125 1 25 ALA H    1 76 LEU MD1  1.800 . 4.350 3.627 3.573 3.653     .  0 0 "[    .    1    .    2    .]" 1 
       126 1 26 SER H    1 27 LYS H    1.800 . 3.850 2.723 2.641 2.781     .  0 0 "[    .    1    .    2    .]" 1 
       127 1 26 SER H    1 26 SER QB   1.800 . 2.850 2.236 2.078 2.587     .  0 0 "[    .    1    .    2    .]" 1 
       128 1 25 ALA MB   1 26 SER H    1.800 . 5.000 2.893 2.801 3.004     .  0 0 "[    .    1    .    2    .]" 1 
       129 1 27 LYS H    1 28 TYR H    1.800 . 2.850 2.601 2.463 2.826     .  0 0 "[    .    1    .    2    .]" 1 
       130 1 26 SER HA   1 27 LYS H    1.800 . 5.500 3.549 3.512 3.568     .  0 0 "[    .    1    .    2    .]" 1 
       131 1 25 ALA MB   1 27 LYS H    1.800 . 6.000 4.668 4.501 4.780     .  0 0 "[    .    1    .    2    .]" 1 
       132 1 27 LYS H    1 27 LYS HD2  1.800 . 3.850 3.137 1.994 3.889 0.039 16 0 "[    .    1    .    2    .]" 1 
       133 1 26 SER HA   1 28 TYR H    1.800 . 4.500 4.066 3.614 4.210     .  0 0 "[    .    1    .    2    .]" 1 
       134 1 28 TYR H    1 28 TYR HB3  1.800 . 3.850 3.670 3.632 3.796     .  0 0 "[    .    1    .    2    .]" 1 
       135 1 28 TYR H    1 28 TYR HB2  1.800 . 2.850 2.494 2.381 2.649     .  0 0 "[    .    1    .    2    .]" 1 
       136 1 27 LYS HB2  1 28 TYR H    1.800 . 4.500 3.033 2.868 4.022     .  0 0 "[    .    1    .    2    .]" 1 
       137 1 25 ALA MB   1 28 TYR H    1.800 . 6.000 4.277 4.183 4.466     .  0 0 "[    .    1    .    2    .]" 1 
       138 1 28 TYR H    1 72 ALA MB   1.800 . 6.000 4.414 4.086 4.807     .  0 0 "[    .    1    .    2    .]" 1 
       139 1 29 ASP H    1 30 ALA H    1.800 . 3.850 2.589 2.478 2.671     .  0 0 "[    .    1    .    2    .]" 1 
       140 1 28 TYR HD1  1 29 ASP H    1.800 . 4.500 4.142 3.722 4.400     .  0 0 "[    .    1    .    2    .]" 1 
       141 1 28 TYR HA   1 29 ASP H    1.800 . 2.850 2.181 2.163 2.202     .  0 0 "[    .    1    .    2    .]" 1 
       142 1 28 TYR HB3  1 29 ASP H    1.800 . 3.850 3.373 3.213 3.543     .  0 0 "[    .    1    .    2    .]" 1 
       143 1 29 ASP H    1 29 ASP QB   1.800 . 3.850 2.403 2.180 2.518     .  0 0 "[    .    1    .    2    .]" 1 
       144 1 29 ASP H    1 30 ALA MB   1.800 . 6.000 4.224 4.050 4.327     .  0 0 "[    .    1    .    2    .]" 1 
       145 1 29 ASP H    1 72 ALA MB   1.800 . 6.000 5.009 4.994 5.022     .  0 0 "[    .    1    .    2    .]" 1 
       146 1 30 ALA H    1 68 ASP H    1.800 . 4.500 3.706 3.390 4.120     .  0 0 "[    .    1    .    2    .]" 1 
       147 1 29 ASP HA   1 30 ALA H    1.800 . 3.850 3.421 3.177 3.508     .  0 0 "[    .    1    .    2    .]" 1 
       148 1 28 TYR HB3  1 30 ALA H    1.800 . 3.850 2.769 2.611 2.861     .  0 0 "[    .    1    .    2    .]" 1 
       149 1 29 ASP QB   1 30 ALA H    1.800 . 4.500 3.128 2.874 3.610     .  0 0 "[    .    1    .    2    .]" 1 
       150 1 30 ALA H    1 30 ALA MB   1.800 . 4.350 2.181 2.121 2.256     .  0 0 "[    .    1    .    2    .]" 1 
       151 1 30 ALA H    1 72 ALA MB   1.800 . 6.000 3.889 3.616 4.091     .  0 0 "[    .    1    .    2    .]" 1 
       152 1 31 ASP H    1 65 SER H    1.800 . 3.850 2.728 1.982 3.259     .  0 0 "[    .    1    .    2    .]" 1 
       153 1 30 ALA HA   1 31 ASP H    1.800 . 2.850 2.367 2.246 2.623     .  0 0 "[    .    1    .    2    .]" 1 
       154 1 31 ASP H    1 66 GLY HA2  1.800 . 4.500 4.137 3.872 4.430     .  0 0 "[    .    1    .    2    .]" 1 
       155 1 31 ASP H    1 31 ASP HB2  1.800 . 2.850 2.398 2.224 2.536     .  0 0 "[    .    1    .    2    .]" 1 
       156 1 30 ALA MB   1 31 ASP H    1.800 . 4.350 2.636 2.051 2.899     .  0 0 "[    .    1    .    2    .]" 1 
       157 1 31 ASP H    1 32 VAL QG   1.800 . 6.000 3.968 3.614 4.177     .  0 0 "[    .    1    .    2    .]" 1 
       158 1 31 ASP HA   1 32 VAL H    1.800 . 2.850 2.318 2.242 2.422     .  0 0 "[    .    1    .    2    .]" 1 
       159 1 32 VAL H    1 44 LYS QE   1.800 . 3.850 3.306 2.866 3.450     .  0 0 "[    .    1    .    2    .]" 1 
       160 1 32 VAL H    1 32 VAL HB   1.800 . 3.850 3.669 3.647 3.704     .  0 0 "[    .    1    .    2    .]" 1 
       161 1 32 VAL H    1 32 VAL QG   1.800 . 5.000 1.885 1.866 1.928     .  0 0 "[    .    1    .    2    .]" 1 
       162 1 32 VAL HA   1 33 ASN H    1.800 . 2.850 2.219 2.181 2.312     .  0 0 "[    .    1    .    2    .]" 1 
       163 1 32 VAL QG   1 33 ASN H    1.800 . 5.000 3.629 3.461 3.724     .  0 0 "[    .    1    .    2    .]" 1 
       164 1 32 VAL HB   1 33 ASN H    1.800 . 5.500 3.532 3.037 4.106     .  0 0 "[    .    1    .    2    .]" 1 
       165 1 33 ASN HA   1 34 LEU H    1.800 . 2.850 2.202 2.169 2.263     .  0 0 "[    .    1    .    2    .]" 1 
       166 1 33 ASN HB3  1 34 LEU H    1.800 . 3.850 3.232 2.926 3.447     .  0 0 "[    .    1    .    2    .]" 1 
       167 1 34 LEU H    1 34 LEU HB2  1.800 . 3.850 2.639 2.413 2.914     .  0 0 "[    .    1    .    2    .]" 1 
       168 1 34 LEU H    1 43 LEU HB2  1.800 . 3.850 3.793 3.445 3.892 0.042  2 0 "[    .    1    .    2    .]" 1 
       169 1 34 LEU H    1 34 LEU QD   1.800 . 6.000 3.762 3.692 3.811     .  0 0 "[    .    1    .    2    .]" 1 
       170 1 35 GLU H    1 61 THR H    1.800 . 3.850 2.634 2.014 3.578     .  0 0 "[    .    1    .    2    .]" 1 
       171 1 35 GLU H    1 61 THR HB   1.800 . 4.500 3.734 2.938 3.956     .  0 0 "[    .    1    .    2    .]" 1 
       172 1 35 GLU H    1 35 GLU HB3  1.800 . 3.850 2.749 2.527 3.006     .  0 0 "[    .    1    .    2    .]" 1 
       173 1 35 GLU H    1 35 GLU HB2  1.800 . 3.850 2.915 2.617 3.137     .  0 0 "[    .    1    .    2    .]" 1 
       174 1 34 LEU HG   1 35 GLU H    1.800 . 3.850 2.416 1.991 3.266     .  0 0 "[    .    1    .    2    .]" 1 
       175 1 35 GLU H    1 61 THR MG   1.800 . 6.000 4.789 3.865 4.996     .  0 0 "[    .    1    .    2    .]" 1 
       176 1 34 LEU QD   1 35 GLU H    1.800 . 6.000 2.556 1.954 3.480     .  0 0 "[    .    1    .    2    .]" 1 
       177 1 36 TYR H    1 39 LYS H    1.800 . 3.850 2.967 2.290 3.861 0.011 16 0 "[    .    1    .    2    .]" 1 
       178 1 35 GLU HA   1 36 TYR H    1.800 . 2.850 2.240 2.167 2.352     .  0 0 "[    .    1    .    2    .]" 1 
       179 1 36 TYR H    1 40 THR HA   1.800 . 3.850 3.521 2.697 3.856 0.006 18 0 "[    .    1    .    2    .]" 1 
       180 1 36 TYR H    1 36 TYR HB3  1.800 . 3.850 2.884 2.501 3.075     .  0 0 "[    .    1    .    2    .]" 1 
       181 1 36 TYR H    1 36 TYR HB2  1.800 . 3.850 3.237 2.624 3.433     .  0 0 "[    .    1    .    2    .]" 1 
       182 1 35 GLU QG   1 36 TYR H    1.800 . 4.500 2.485 1.967 3.111     .  0 0 "[    .    1    .    2    .]" 1 
       183 1 36 TYR H    1 52 LEU QD   1.800 . 6.000 3.683 2.892 4.340     .  0 0 "[    .    1    .    2    .]" 1 
       184 1 37 ASN H    1 39 LYS H    1.800 . 4.500 4.230 3.860 4.516 0.016 12 0 "[    .    1    .    2    .]" 1 
       185 1 36 TYR HD1  1 37 ASN H    1.800 . 3.850 3.518 2.914 3.907 0.057 21 0 "[    .    1    .    2    .]" 1 
       186 1 36 TYR HA   1 37 ASN H    1.800 . 2.850 2.300 2.181 2.628     .  0 0 "[    .    1    .    2    .]" 1 
       187 1 37 ASN H    1 37 ASN HA   1.800 . 2.850 2.342 2.331 2.350     .  0 0 "[    .    1    .    2    .]" 1 
       188 1 37 ASN H    1 37 ASN HB2  1.800 . 3.850 3.141 2.951 3.344     .  0 0 "[    .    1    .    2    .]" 1 
       189 1 38 GLY H    1 39 LYS H    1.800 . 3.850 2.681 2.114 3.216     .  0 0 "[    .    1    .    2    .]" 1 
       190 1 38 GLY H    1 38 GLY HA3  1.800 . 2.850 2.866 2.648 2.956 0.106 21 0 "[    .    1    .    2    .]" 1 
       191 1 35 GLU QG   1 38 GLY H    1.800 . 4.500 3.321 2.523 4.076     .  0 0 "[    .    1    .    2    .]" 1 
       192 1 38 GLY HA2  1 39 LYS H    1.800 . 4.500 3.246 2.964 3.578     .  0 0 "[    .    1    .    2    .]" 1 
       193 1 39 LYS H    1 39 LYS QB   1.800 . 3.850 2.497 2.211 2.691     .  0 0 "[    .    1    .    2    .]" 1 
       194 1 40 THR HA   1 41 VAL H    1.800 . 2.850 2.245 2.174 2.423     .  0 0 "[    .    1    .    2    .]" 1 
       195 1 35 GLU HA   1 41 VAL H    1.800 . 3.850 3.416 2.596 3.796     .  0 0 "[    .    1    .    2    .]" 1 
       196 1 40 THR HB   1 41 VAL H    1.800 . 4.500 4.364 4.164 4.452     .  0 0 "[    .    1    .    2    .]" 1 
       197 1 40 THR MG   1 41 VAL H    1.800 . 4.350 3.232 2.882 3.628     .  0 0 "[    .    1    .    2    .]" 1 
       198 1 41 VAL H    1 41 VAL MG2  1.800 . 4.350 1.930 1.889 1.963     .  0 0 "[    .    1    .    2    .]" 1 
       199 1 42 ASN H    1 42 ASN QB   1.800 . 3.850 2.233 2.135 2.299     .  0 0 "[    .    1    .    2    .]" 1 
       200 1 41 VAL HB   1 42 ASN H    1.800 . 2.850 2.873 2.836 2.901 0.051  8 0 "[    .    1    .    2    .]" 1 
       201 1 43 LEU H    1 44 LYS H    1.800 . 3.850 2.723 2.666 2.810     .  0 0 "[    .    1    .    2    .]" 1 
       202 1 33 ASN HA   1 43 LEU H    1.800 . 3.850 2.467 2.097 2.970     .  0 0 "[    .    1    .    2    .]" 1 
       203 1 42 ASN HA   1 43 LEU H    1.800 . 2.850 2.272 2.215 2.364     .  0 0 "[    .    1    .    2    .]" 1 
       204 1 42 ASN QB   1 43 LEU H    1.800 . 4.500 3.574 3.374 3.700     .  0 0 "[    .    1    .    2    .]" 1 
       205 1 43 LEU H    1 43 LEU HB3  1.800 . 3.850 2.782 2.730 2.838     .  0 0 "[    .    1    .    2    .]" 1 
       206 1 43 LEU H    1 43 LEU HB2  1.800 . 3.850 2.367 2.252 2.482     .  0 0 "[    .    1    .    2    .]" 1 
       207 1 43 LEU H    1 43 LEU QD   1.800 . 6.000 3.593 3.429 3.685     .  0 0 "[    .    1    .    2    .]" 1 
       208 1 44 LYS H    1 45 SER H    1.800 . 3.850 3.390 3.274 3.538     .  0 0 "[    .    1    .    2    .]" 1 
       209 1 43 LEU HA   1 44 LYS H    1.800 . 3.850 3.468 3.398 3.507     .  0 0 "[    .    1    .    2    .]" 1 
       210 1 44 LYS H    1 44 LYS QB   1.800 . 3.850 2.431 2.289 2.585     .  0 0 "[    .    1    .    2    .]" 1 
       211 1 44 LYS H    1 44 LYS QG   1.800 . 3.850 2.853 2.305 3.434     .  0 0 "[    .    1    .    2    .]" 1 
       212 1 44 LYS H    1 44 LYS QD   1.800 . 3.850 2.503 1.949 3.430     .  0 0 "[    .    1    .    2    .]" 1 
       213 1 43 LEU MD2  1 44 LYS H    1.800 . 6.000 4.657 4.577 4.817     .  0 0 "[    .    1    .    2    .]" 1 
       214 1 45 SER H    1 45 SER HB2  1.800 . 3.850 3.190 2.957 3.527     .  0 0 "[    .    1    .    2    .]" 1 
       215 1 45 SER H    1 46 ILE HG12 1.800 . 4.500 4.565 4.544 4.586 0.086  5 0 "[    .    1    .    2    .]" 1 
       216 1 46 ILE H    1 47 MET H    1.800 . 4.500 2.651 2.396 2.944     .  0 0 "[    .    1    .    2    .]" 1 
       217 1 46 ILE H    1 46 ILE HB   1.800 . 3.850 2.605 2.576 2.648     .  0 0 "[    .    1    .    2    .]" 1 
       218 1 46 ILE H    1 46 ILE HG13 1.800 . 3.850 2.102 1.939 3.493     .  0 0 "[    .    1    .    2    .]" 1 
       219 1 46 ILE H    1 46 ILE MD   1.800 . 5.000 3.559 3.125 3.685     .  0 0 "[    .    1    .    2    .]" 1 
       220 1 47 MET H    1 47 MET QG   1.800 . 4.500 3.991 3.876 4.062     .  0 0 "[    .    1    .    2    .]" 1 
       221 1 46 ILE HB   1 47 MET H    1.800 . 3.850 2.514 2.072 2.683     .  0 0 "[    .    1    .    2    .]" 1 
       222 1 46 ILE MG   1 47 MET H    1.800 . 4.350 3.547 3.170 3.654     .  0 0 "[    .    1    .    2    .]" 1 
       223 1 47 MET HB3  1 48 GLY H    1.800 . 4.500 2.929 2.737 3.158     .  0 0 "[    .    1    .    2    .]" 1 
       224 1 49 VAL H    1 50 VAL H    1.800 . 3.850 2.535 2.294 2.681     .  0 0 "[    .    1    .    2    .]" 1 
       225 1 49 VAL H    1 49 VAL HB   1.800 . 2.850 2.571 2.533 2.624     .  0 0 "[    .    1    .    2    .]" 1 
       226 1 49 VAL H    1 49 VAL MG2  1.800 . 4.350 2.123 1.964 2.363     .  0 0 "[    .    1    .    2    .]" 1 
       227 1 49 VAL H    1 49 VAL MG1  1.800 . 5.000 3.784 3.771 3.808     .  0 0 "[    .    1    .    2    .]" 1 
       228 1 49 VAL MG1  1 50 VAL H    1.800 . 5.000 3.699 3.499 3.808     .  0 0 "[    .    1    .    2    .]" 1 
       229 1 50 VAL H    1 50 VAL QG   1.800 . 4.350 2.096 1.960 2.256     .  0 0 "[    .    1    .    2    .]" 1 
       230 1 50 VAL H    1 51 SER H    1.800 . 3.850 2.556 2.371 2.676     .  0 0 "[    .    1    .    2    .]" 1 
       231 1 51 SER H    1 52 LEU H    1.800 . 3.850 2.637 2.551 2.746     .  0 0 "[    .    1    .    2    .]" 1 
       232 1 50 VAL HA   1 51 SER H    1.800 . 4.500 3.514 3.493 3.533     .  0 0 "[    .    1    .    2    .]" 1 
       233 1 50 VAL HB   1 51 SER H    1.800 . 3.850 2.890 2.712 3.910 0.060 12 0 "[    .    1    .    2    .]" 1 
       234 1 50 VAL QG   1 51 SER H    1.800 . 6.000 3.332 2.015 3.464     .  0 0 "[    .    1    .    2    .]" 1 
       235 1 52 LEU H    1 53 GLY H    1.800 . 3.850 2.765 2.540 3.081     .  0 0 "[    .    1    .    2    .]" 1 
       236 1 49 VAL HA   1 52 LEU H    1.800 . 4.500 3.544 3.310 3.919     .  0 0 "[    .    1    .    2    .]" 1 
       237 1 52 LEU H    1 52 LEU HB3  1.800 . 3.850 3.594 3.524 3.632     .  0 0 "[    .    1    .    2    .]" 1 
       238 1 52 LEU H    1 52 LEU QD   1.800 . 5.000 2.554 1.875 3.227     .  0 0 "[    .    1    .    2    .]" 1 
       239 1 53 GLY H    1 54 ILE H    1.800 . 3.850 2.588 2.121 3.083     .  0 0 "[    .    1    .    2    .]" 1 
       240 1 52 LEU HA   1 53 GLY H    1.800 . 4.500 3.568 3.525 3.587     .  0 0 "[    .    1    .    2    .]" 1 
       241 1 53 GLY H    1 53 GLY HA2  1.800 . 2.850 2.397 2.345 2.536     .  0 0 "[    .    1    .    2    .]" 1 
       242 1 52 LEU HB2  1 53 GLY H    1.800 . 5.500 2.451 1.995 2.906     .  0 0 "[    .    1    .    2    .]" 1 
       243 1 52 LEU QD   1 53 GLY H    1.800 . 6.000 3.777 3.511 4.184     .  0 0 "[    .    1    .    2    .]" 1 
       244 1 53 GLY HA2  1 54 ILE H    1.800 . 3.850 2.653 2.464 2.870     .  0 0 "[    .    1    .    2    .]" 1 
       245 1 53 GLY HA3  1 54 ILE H    1.800 . 4.500 3.578 3.540 3.588     .  0 0 "[    .    1    .    2    .]" 1 
       246 1 52 LEU HB2  1 54 ILE H    1.800 . 3.850 3.630 3.148 3.863 0.013 25 0 "[    .    1    .    2    .]" 1 
       247 1 54 ILE H    1 54 ILE HB   1.800 . 3.850 2.589 2.520 2.680     .  0 0 "[    .    1    .    2    .]" 1 
       248 1 54 ILE H    1 54 ILE HG13 1.800 . 3.850 2.054 1.993 2.191     .  0 0 "[    .    1    .    2    .]" 1 
       249 1 54 ILE H    1 54 ILE HG12 1.800 . 3.850 3.470 3.272 3.692     .  0 0 "[    .    1    .    2    .]" 1 
       250 1 54 ILE H    1 54 ILE MD   1.800 . 6.000 3.302 2.984 3.562     .  0 0 "[    .    1    .    2    .]" 1 
       251 1 54 ILE H    1 54 ILE MG   1.800 . 6.000 3.788 3.776 3.818     .  0 0 "[    .    1    .    2    .]" 1 
       252 1 54 ILE HA   1 55 ALA H    1.800 . 2.850 2.366 2.252 2.438     .  0 0 "[    .    1    .    2    .]" 1 
       253 1 55 ALA H    1 55 ALA MB   1.800 . 3.850 2.624 2.506 2.725     .  0 0 "[    .    1    .    2    .]" 1 
       254 1 54 ILE MG   1 55 ALA H    1.800 . 5.000 1.981 1.893 2.207     .  0 0 "[    .    1    .    2    .]" 1 
       255 1 57 GLY H    1 58 ALA H    1.800 . 3.850 2.654 2.250 3.092     .  0 0 "[    .    1    .    2    .]" 1 
       256 1 57 GLY H    1 57 GLY HA2  1.800 . 2.850 2.409 2.345 2.773     .  0 0 "[    .    1    .    2    .]" 1 
       257 1  7 VAL MG1  1 57 GLY H    1.800 . 5.000 3.725 3.059 4.116     .  0 0 "[    .    1    .    2    .]" 1 
       258 1 56 LYS HB3  1 57 GLY H    1.800 . 5.500 3.931 2.751 4.690     .  0 0 "[    .    1    .    2    .]" 1 
       259 1 56 LYS HB2  1 57 GLY H    1.800 . 4.500 3.481 2.665 4.447     .  0 0 "[    .    1    .    2    .]" 1 
       260 1  7 VAL HB   1 57 GLY H    1.800 . 3.850 3.758 3.190 3.875 0.025 13 0 "[    .    1    .    2    .]" 1 
       261 1 57 GLY HA2  1 58 ALA H    1.800 . 3.850 2.650 2.396 2.851     .  0 0 "[    .    1    .    2    .]" 1 
       262 1  7 VAL HB   1 58 ALA H    1.800 . 3.850 2.418 2.121 2.846     .  0 0 "[    .    1    .    2    .]" 1 
       263 1 58 ALA H    1 58 ALA MB   1.800 . 4.350 2.555 2.403 2.707     .  0 0 "[    .    1    .    2    .]" 1 
       264 1  7 VAL MG1  1 58 ALA H    1.800 . 6.000 3.765 3.410 4.133     .  0 0 "[    .    1    .    2    .]" 1 
       265 1  7 VAL MG2  1 58 ALA H    1.800 . 6.000 3.802 3.397 4.160     .  0 0 "[    .    1    .    2    .]" 1 
       266 1 54 ILE MG   1 58 ALA H    1.800 . 6.000 4.608 3.781 5.002     .  0 0 "[    .    1    .    2    .]" 1 
       267 1 58 ALA MB   1 59 GLU H    1.800 . 4.350 2.454 2.038 3.256     .  0 0 "[    .    1    .    2    .]" 1 
       268 1  6 LYS HA   1 60 ILE H    1.800 . 4.500 3.457 3.191 3.853     .  0 0 "[    .    1    .    2    .]" 1 
       269 1 59 GLU QB   1 60 ILE H    1.800 . 4.500 3.056 2.587 3.397     .  0 0 "[    .    1    .    2    .]" 1 
       270 1 60 ILE H    1 60 ILE HG13 1.800 . 3.850 2.825 2.700 2.974     .  0 0 "[    .    1    .    2    .]" 1 
       271 1 60 ILE H    1 60 ILE HG12 1.800 . 3.850 2.162 1.967 2.431     .  0 0 "[    .    1    .    2    .]" 1 
       272 1  4 THR MG   1 60 ILE H    1.800 . 6.000 3.547 3.019 3.943     .  0 0 "[    .    1    .    2    .]" 1 
       273 1 60 ILE H    1 60 ILE MG   1.800 . 5.000 2.989 2.759 3.194     .  0 0 "[    .    1    .    2    .]" 1 
       274 1 60 ILE H    1 60 ILE MD   1.800 . 6.000 3.843 3.692 4.030     .  0 0 "[    .    1    .    2    .]" 1 
       275 1 60 ILE HA   1 61 THR H    1.800 . 2.850 2.295 2.191 2.438     .  0 0 "[    .    1    .    2    .]" 1 
       276 1 61 THR H    1 61 THR HB   1.800 . 3.850 2.875 2.681 3.047     .  0 0 "[    .    1    .    2    .]" 1 
       277 1 60 ILE HB   1 61 THR H    1.800 . 3.850 2.933 2.500 3.401     .  0 0 "[    .    1    .    2    .]" 1 
       278 1 60 ILE MG   1 61 THR H    1.800 . 6.000 3.811 3.648 3.968     .  0 0 "[    .    1    .    2    .]" 1 
       279 1 61 THR H    1 61 THR MG   1.800 . 6.000 3.914 3.841 3.988     .  0 0 "[    .    1    .    2    .]" 1 
       280 1  5 PHE QE   1 62 ILE H    1.800 . 4.500 4.120 3.765 4.499     .  0 0 "[    .    1    .    2    .]" 1 
       281 1  5 PHE QD   1 62 ILE H    1.800 . 5.500 3.217 2.791 4.126     .  0 0 "[    .    1    .    2    .]" 1 
       282 1 62 ILE H    1 62 ILE HB   1.800 . 2.850 2.511 2.411 2.870 0.020 21 0 "[    .    1    .    2    .]" 1 
       283 1 62 ILE H    1 62 ILE HG12 1.800 . 3.850 3.783 3.636 3.965 0.115  2 0 "[    .    1    .    2    .]" 1 
       284 1 62 ILE H    1 62 ILE MG   1.800 . 5.000 3.815 3.771 3.957     .  0 0 "[    .    1    .    2    .]" 1 
       285 1 33 ASN H    1 63 SER H    1.800 . 3.850 2.679 2.319 3.238     .  0 0 "[    .    1    .    2    .]" 1 
       286 1 63 SER H    1 63 SER HB3  1.800 . 3.850 3.579 3.483 3.654     .  0 0 "[    .    1    .    2    .]" 1 
       287 1 63 SER H    1 63 SER HB2  1.800 . 3.850 3.830 3.780 3.877 0.027  2 0 "[    .    1    .    2    .]" 1 
       288 1 33 ASN HB2  1 63 SER H    1.800 . 5.500 4.149 3.839 4.488     .  0 0 "[    .    1    .    2    .]" 1 
       289 1 62 ILE HG12 1 63 SER H    1.800 . 4.500 4.236 4.107 4.624 0.124  2 0 "[    .    1    .    2    .]" 1 
       290 1 62 ILE MG   1 63 SER H    1.800 . 4.350 2.066 1.885 2.345     .  0 0 "[    .    1    .    2    .]" 1 
       291 1 63 SER HA   1 64 ALA H    1.800 . 2.850 2.204 2.185 2.227     .  0 0 "[    .    1    .    2    .]" 1 
       292 1 63 SER HB2  1 64 ALA H    1.800 . 3.850 3.779 3.667 3.885 0.035 18 0 "[    .    1    .    2    .]" 1 
       293 1 63 SER HB3  1 64 ALA H    1.800 . 4.500 4.334 4.261 4.434     .  0 0 "[    .    1    .    2    .]" 1 
       294 1  2 GLN HB3  1 64 ALA H    1.800 . 5.500 3.480 3.237 3.709     .  0 0 "[    .    1    .    2    .]" 1 
       295 1 64 ALA H    1 64 ALA MB   1.800 . 4.350 2.313 2.296 2.332     .  0 0 "[    .    1    .    2    .]" 1 
       296 1  1 ALA MB   1 64 ALA H    1.800 . 6.000 3.550 2.894 3.971     .  0 0 "[    .    1    .    2    .]" 1 
       297 1 62 ILE MG   1 64 ALA H    1.800 . 5.000 3.571 3.352 3.751     .  0 0 "[    .    1    .    2    .]" 1 
       298 1 64 ALA HA   1 65 SER H    1.800 . 2.850 2.219 2.201 2.244     .  0 0 "[    .    1    .    2    .]" 1 
       299 1 32 VAL HA   1 65 SER H    1.800 . 3.850 3.454 3.211 3.781     .  0 0 "[    .    1    .    2    .]" 1 
       300 1 31 ASP HB2  1 65 SER H    1.800 . 3.850 3.321 2.282 3.856 0.006  3 0 "[    .    1    .    2    .]" 1 
       301 1 64 ALA MB   1 65 SER H    1.800 . 5.000 3.145 3.033 3.283     .  0 0 "[    .    1    .    2    .]" 1 
       302 1 30 ALA MB   1 65 SER H    1.800 . 5.000 2.933 2.679 3.267     .  0 0 "[    .    1    .    2    .]" 1 
       303 1 32 VAL MG1  1 65 SER H    1.800 . 6.000 3.253 2.960 3.595     .  0 0 "[    .    1    .    2    .]" 1 
       304 1 65 SER HB3  1 66 GLY H    1.800 . 4.500 3.987 3.858 4.147     .  0 0 "[    .    1    .    2    .]" 1 
       305 1 65 SER HA   1 66 GLY H    1.800 . 2.850 2.221 2.193 2.319     .  0 0 "[    .    1    .    2    .]" 1 
       306 1 66 GLY H    1 69 GLU HG3  1.800 . 5.500 4.297 3.523 4.617     .  0 0 "[    .    1    .    2    .]" 1 
       307 1 66 GLY H    1 69 GLU HG2  1.800 . 4.500 3.348 2.000 4.204     .  0 0 "[    .    1    .    2    .]" 1 
       308 1 66 GLY H    1 69 GLU HB3  1.800 . 3.850 2.012 1.974 2.127     .  0 0 "[    .    1    .    2    .]" 1 
       309 1 66 GLY H    1 69 GLU HB2  1.800 . 4.400 3.489 3.379 3.709     .  0 0 "[    .    1    .    2    .]" 1 
       310 1 30 ALA MB   1 66 GLY H    1.800 . 6.000 3.206 2.680 3.366     .  0 0 "[    .    1    .    2    .]" 1 
       311 1 68 ASP H    1 69 GLU H    1.800 . 3.850 3.229 3.056 3.479     .  0 0 "[    .    1    .    2    .]" 1 
       312 1 67 ALA HA   1 68 ASP H    1.800 . 3.850 3.579 3.553 3.586     .  0 0 "[    .    1    .    2    .]" 1 
       313 1 68 ASP H    1 68 ASP HB3  1.800 . 3.850 2.966 2.889 3.225     .  0 0 "[    .    1    .    2    .]" 1 
       314 1 29 ASP QB   1 68 ASP H    1.800 . 5.500 3.992 3.661 4.797     .  0 0 "[    .    1    .    2    .]" 1 
       315 1 67 ALA MB   1 68 ASP H    1.800 . 4.350 2.162 2.001 2.353     .  0 0 "[    .    1    .    2    .]" 1 
       316 1 30 ALA MB   1 68 ASP H    1.800 . 5.000 3.058 2.732 3.363     .  0 0 "[    .    1    .    2    .]" 1 
       317 1 66 GLY H    1 69 GLU H    1.800 . 4.500 3.694 3.084 3.903     .  0 0 "[    .    1    .    2    .]" 1 
       318 1 69 GLU H    1 70 ASN H    1.800 . 3.850 2.686 2.587 2.915     .  0 0 "[    .    1    .    2    .]" 1 
       319 1 68 ASP HA   1 69 GLU H    1.800 . 3.850 2.725 2.542 2.823     .  0 0 "[    .    1    .    2    .]" 1 
       320 1 69 GLU H    1 69 GLU HG2  1.800 . 2.850 2.010 1.937 2.767     .  0 0 "[    .    1    .    2    .]" 1 
       321 1 69 GLU H    1 69 GLU HG3  1.800 . 3.850 3.115 1.943 3.555     .  0 0 "[    .    1    .    2    .]" 1 
       322 1 69 GLU H    1 69 GLU HB3  1.800 . 3.850 2.647 2.570 2.783     .  0 0 "[    .    1    .    2    .]" 1 
       323 1 69 GLU H    1 69 GLU HB2  1.800 . 3.850 3.618 3.610 3.625     .  0 0 "[    .    1    .    2    .]" 1 
       324 1 30 ALA MB   1 69 GLU H    1.800 . 6.000 2.944 2.767 3.187     .  0 0 "[    .    1    .    2    .]" 1 
       325 1 70 ASN H    1 71 ASP H    1.800 . 3.850 2.566 2.420 2.709     .  0 0 "[    .    1    .    2    .]" 1 
       326 1 69 GLU HA   1 70 ASN H    1.800 . 3.850 3.532 3.504 3.597     .  0 0 "[    .    1    .    2    .]" 1 
       327 1 71 ASP H    1 72 ALA H    1.800 . 3.850 2.539 2.477 2.695     .  0 0 "[    .    1    .    2    .]" 1 
       328 1 70 ASN HA   1 71 ASP H    1.800 . 5.500 3.537 3.507 3.574     .  0 0 "[    .    1    .    2    .]" 1 
       329 1 71 ASP H    1 71 ASP HB2  1.800 . 2.850 2.527 2.391 2.617     .  0 0 "[    .    1    .    2    .]" 1 
       330 1 71 ASP H    1 72 ALA MB   1.800 . 6.000 4.248 4.182 4.372     .  0 0 "[    .    1    .    2    .]" 1 
       331 1 71 ASP HA   1 72 ALA H    1.800 . 4.500 3.488 3.463 3.539     .  0 0 "[    .    1    .    2    .]" 1 
       332 1 69 GLU HA   1 72 ALA H    1.800 . 4.500 3.458 3.326 3.575     .  0 0 "[    .    1    .    2    .]" 1 
       333 1 72 ALA H    1 72 ALA MB   1.800 . 4.350 2.261 2.223 2.291     .  0 0 "[    .    1    .    2    .]" 1 
       334 1 72 ALA H    1 73 LEU H    1.800 . 3.850 2.560 2.493 2.784     .  0 0 "[    .    1    .    2    .]" 1 
       335 1 73 LEU H    1 74 ASN H    1.800 . 3.850 2.776 2.661 2.957     .  0 0 "[    .    1    .    2    .]" 1 
       336 1 70 ASN HA   1 73 LEU H    1.800 . 4.500 3.692 3.540 3.900     .  0 0 "[    .    1    .    2    .]" 1 
       337 1 72 ALA HA   1 73 LEU H    1.800 . 5.500 3.584 3.565 3.610     .  0 0 "[    .    1    .    2    .]" 1 
       338 1 73 LEU H    1 73 LEU HG   1.800 . 3.850 2.174 2.014 2.304     .  0 0 "[    .    1    .    2    .]" 1 
       339 1 64 ALA MB   1 73 LEU H    1.800 . 6.000 3.029 2.838 3.237     .  0 0 "[    .    1    .    2    .]" 1 
       340 1 73 LEU H    1 73 LEU QD   1.800 . 5.000 2.931 2.807 3.029     .  0 0 "[    .    1    .    2    .]" 1 
       341 1 71 ASP HA   1 74 ASN H    1.800 . 4.500 3.900 3.791 4.135     .  0 0 "[    .    1    .    2    .]" 1 
       342 1 73 LEU HA   1 74 ASN H    1.800 . 4.500 3.574 3.554 3.591     .  0 0 "[    .    1    .    2    .]" 1 
       343 1 74 ASN H    1 74 ASN QB   1.800 . 3.850 2.631 2.512 2.792     .  0 0 "[    .    1    .    2    .]" 1 
       344 1 73 LEU MD1  1 74 ASN H    1.800 . 6.000 2.285 2.188 2.343     .  0 0 "[    .    1    .    2    .]" 1 
       345 1 75 ALA H    1 76 LEU H    1.800 . 3.850 2.816 2.642 2.980     .  0 0 "[    .    1    .    2    .]" 1 
       346 1 74 ASN HA   1 75 ALA H    1.800 . 5.500 3.484 3.448 3.506     .  0 0 "[    .    1    .    2    .]" 1 
       347 1 74 ASN QB   1 75 ALA H    1.800 . 4.500 3.654 3.593 3.714     .  0 0 "[    .    1    .    2    .]" 1 
       348 1 72 ALA HA   1 75 ALA H    1.800 . 4.500 3.425 3.339 3.493     .  0 0 "[    .    1    .    2    .]" 1 
       349 1 75 ALA H    1 75 ALA MB   1.800 . 4.350 2.180 2.050 2.259     .  0 0 "[    .    1    .    2    .]" 1 
       350 1 76 LEU H    1 77 GLU H    1.800 . 2.850 2.635 2.530 2.689     .  0 0 "[    .    1    .    2    .]" 1 
       351 1 75 ALA HA   1 76 LEU H    1.800 . 4.500 3.591 3.583 3.597     .  0 0 "[    .    1    .    2    .]" 1 
       352 1 76 LEU H    1 76 LEU HB2  1.800 . 3.850 2.629 2.580 2.662     .  0 0 "[    .    1    .    2    .]" 1 
       353 1 76 LEU H    1 76 LEU HB3  1.800 . 3.850 3.617 3.609 3.628     .  0 0 "[    .    1    .    2    .]" 1 
       354 1 76 LEU H    1 76 LEU HG   1.800 . 3.850 2.210 2.155 2.298     .  0 0 "[    .    1    .    2    .]" 1 
       355 1 75 ALA MB   1 76 LEU H    1.800 . 4.350 2.197 2.012 2.397     .  0 0 "[    .    1    .    2    .]" 1 
       356 1 76 LEU H    1 76 LEU MD1  1.800 . 6.000 2.390 2.175 2.589     .  0 0 "[    .    1    .    2    .]" 1 
       357 1 77 GLU H    1 78 GLU H    1.800 . 3.850 2.894 2.746 2.963     .  0 0 "[    .    1    .    2    .]" 1 
       358 1 73 LEU HB2  1 77 GLU H    1.800 . 5.500 5.436 5.269 5.522 0.022 16 0 "[    .    1    .    2    .]" 1 
       359 1 76 LEU HB3  1 77 GLU H    1.800 . 4.500 3.990 3.857 4.095     .  0 0 "[    .    1    .    2    .]" 1 
       360 1 78 GLU H    1 79 THR H    1.800 . 3.850 2.678 2.513 2.726     .  0 0 "[    .    1    .    2    .]" 1 
       361 1 77 GLU HA   1 78 GLU H    1.800 . 4.500 3.596 3.572 3.608     .  0 0 "[    .    1    .    2    .]" 1 
       362 1 78 GLU H    1 78 GLU QB   1.800 . 2.850 2.547 2.441 2.579     .  0 0 "[    .    1    .    2    .]" 1 
       363 1 79 THR H    1 79 THR MG   1.800 . 6.000 3.769 3.711 3.781     .  0 0 "[    .    1    .    2    .]" 1 
       364 1 78 GLU QB   1 79 THR H    1.800 . 4.500 3.553 3.468 3.601     .  0 0 "[    .    1    .    2    .]" 1 
       365 1 80 MET H    1 81 LYS H    1.800 . 3.850 2.512 2.484 2.546     .  0 0 "[    .    1    .    2    .]" 1 
       366 1 79 THR HB   1 80 MET H    1.800 . 3.850 2.722 2.638 2.786     .  0 0 "[    .    1    .    2    .]" 1 
       367 1 80 MET H    1 80 MET HB2  1.800 . 3.850 2.268 2.125 2.473     .  0 0 "[    .    1    .    2    .]" 1 
       368 1 80 MET H    1 80 MET HG3  1.800 . 3.850 3.375 2.727 3.691     .  0 0 "[    .    1    .    2    .]" 1 
       369 1 79 THR MG   1 80 MET H    1.800 . 6.000 3.734 3.625 3.976     .  0 0 "[    .    1    .    2    .]" 1 
       370 1 21 LEU QD   1 80 MET H    1.800 . 6.000 4.415 4.255 4.477     .  0 0 "[    .    1    .    2    .]" 1 
       371 1 81 LYS H    1 82 SER H    1.800 . 3.850 2.430 2.367 2.672     .  0 0 "[    .    1    .    2    .]" 1 
       372 1 78 GLU HA   1 81 LYS H    1.800 . 3.850 3.218 3.127 3.285     .  0 0 "[    .    1    .    2    .]" 1 
       373 1 80 MET HA   1 81 LYS H    1.800 . 5.500 3.510 3.499 3.528     .  0 0 "[    .    1    .    2    .]" 1 
       374 1 82 SER H    1 83 GLU H    1.800 . 3.850 2.735 2.357 2.958     .  0 0 "[    .    1    .    2    .]" 1 
       375 1 81 LYS HA   1 82 SER H    1.800 . 4.500 3.485 3.387 3.576     .  0 0 "[    .    1    .    2    .]" 1 
       376 1 81 LYS QB   1 82 SER H    1.800 . 3.850 2.968 2.436 3.286     .  0 0 "[    .    1    .    2    .]" 1 
       377 1 83 GLU H    1 84 GLY H    1.800 . 3.850 2.471 2.223 2.716     .  0 0 "[    .    1    .    2    .]" 1 
       378 1 82 SER HA   1 83 GLU H    1.800 . 4.500 3.580 3.521 3.591     .  0 0 "[    .    1    .    2    .]" 1 
       379 1 80 MET HA   1 83 GLU H    1.800 . 5.500 4.082 3.602 4.431     .  0 0 "[    .    1    .    2    .]" 1 
       380 1 83 GLU H    1 85 LEU HG   1.800 . 4.500 4.491 4.364 4.524 0.024  6 0 "[    .    1    .    2    .]" 1 
       381 1 83 GLU H    1 83 GLU HB2  1.800 . 3.850 2.373 2.201 2.574     .  0 0 "[    .    1    .    2    .]" 1 
       382 1 84 GLY H    1 85 LEU H    1.800 . 3.850 2.457 2.110 3.588     .  0 0 "[    .    1    .    2    .]" 1 
       383 1 83 GLU HB2  1 84 GLY H    1.800 . 4.500 2.955 2.429 3.796     .  0 0 "[    .    1    .    2    .]" 1 
       384 1 83 GLU HA   1 84 GLY H    1.800 . 3.850 3.494 3.225 3.585     .  0 0 "[    .    1    .    2    .]" 1 
       385 1 85 LEU H    1 86 GLY H    1.800 . 3.850 2.465 2.093 2.739     .  0 0 "[    .    1    .    2    .]" 1 
       386 1 84 GLY HA2  1 85 LEU H    1.800 . 3.850 2.748 2.252 2.940     .  0 0 "[    .    1    .    2    .]" 1 
       387 1 85 LEU H    1 85 LEU HB2  1.800 . 2.850 2.422 2.345 2.685     .  0 0 "[    .    1    .    2    .]" 1 
       388 1 85 LEU H    1 85 LEU HG   1.800 . 3.850 2.566 2.251 3.380     .  0 0 "[    .    1    .    2    .]" 1 
       389 1 85 LEU H    1 85 LEU HB3  1.800 . 3.850 3.639 3.603 3.805     .  0 0 "[    .    1    .    2    .]" 1 
       390 1 85 LEU H    1 85 LEU MD1  1.800 . 5.000 3.654 3.104 4.172     .  0 0 "[    .    1    .    2    .]" 1 
       391 1 84 GLY HA2  1 86 GLY H    1.800 . 4.500 4.038 3.484 4.508 0.008 14 0 "[    .    1    .    2    .]" 1 
       392 1 85 LEU HB2  1 86 GLY H    1.800 . 3.850 2.502 2.133 2.897     .  0 0 "[    .    1    .    2    .]" 1 
       393 1 86 GLY HA3  1 87 GLU H    1.800 . 3.850 2.905 2.511 3.342     .  0 0 "[    .    1    .    2    .]" 1 
       394 1 86 GLY HA2  1 87 GLU H    1.800 . 3.850 2.385 2.186 2.712     .  0 0 "[    .    1    .    2    .]" 1 
       395 1 87 GLU H    1 87 GLU HG2  1.800 . 2.850 2.237 1.985 2.857 0.007 19 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              212
    _Distance_constraint_stats_list.Viol_count                    287
    _Distance_constraint_stats_list.Viol_total                    336.213
    _Distance_constraint_stats_list.Viol_max                      0.167
    _Distance_constraint_stats_list.Viol_rms                      0.0156
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0025
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0469
    _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  1 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1  2 GLN 0.013 0.003  2 0 "[    .    1    .    2    .]" 
       1  3 LYS 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1  4 THR 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1  5 PHE 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1  6 LYS 0.364 0.038 15 0 "[    .    1    .    2    .]" 
       1  7 VAL 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1  9 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 10 ASP 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 12 GLY 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 13 ILE 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 15 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 16 ARG 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 17 PRO 0.027 0.019 19 0 "[    .    1    .    2    .]" 
       1 18 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 19 THR 0.297 0.022 25 0 "[    .    1    .    2    .]" 
       1 20 VAL 6.469 0.167 20 0 "[    .    1    .    2    .]" 
       1 21 LEU 2.395 0.114  7 0 "[    .    1    .    2    .]" 
       1 22 VAL 0.982 0.075 20 0 "[    .    1    .    2    .]" 
       1 23 GLN 1.455 0.088 15 0 "[    .    1    .    2    .]" 
       1 24 THR 0.038 0.032 20 0 "[    .    1    .    2    .]" 
       1 25 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 27 LYS 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 28 TYR 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 30 ALA 0.007 0.007  2 0 "[    .    1    .    2    .]" 
       1 31 ASP 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 32 VAL 1.157 0.112 10 0 "[    .    1    .    2    .]" 
       1 33 ASN 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 34 LEU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 35 GLU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 36 TYR 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 40 THR 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 41 VAL 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 42 ASN 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 43 LEU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 44 LYS 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 45 SER 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 46 ILE 0.945 0.075 20 0 "[    .    1    .    2    .]" 
       1 47 MET 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 48 GLY 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 49 VAL 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 50 VAL 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 52 LEU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 54 ILE 0.305 0.106  5 0 "[    .    1    .    2    .]" 
       1 55 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 56 LYS 0.651 0.150  9 0 "[    .    1    .    2    .]" 
       1 58 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 59 GLU 0.364 0.038 15 0 "[    .    1    .    2    .]" 
       1 60 ILE 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 61 THR 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 62 ILE 0.139 0.054 18 0 "[    .    1    .    2    .]" 
       1 63 SER 0.013 0.003  2 0 "[    .    1    .    2    .]" 
       1 64 ALA 1.157 0.112 10 0 "[    .    1    .    2    .]" 
       1 65 SER 1.191 0.109 14 0 "[    .    1    .    2    .]" 
       1 66 GLY 0.007 0.007  2 0 "[    .    1    .    2    .]" 
       1 68 ASP 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 69 GLU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 71 ASP 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 72 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 73 LEU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 74 ASN 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 75 ALA 0.038 0.032 20 0 "[    .    1    .    2    .]" 
       1 76 LEU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 77 GLU 0.650 0.041 25 0 "[    .    1    .    2    .]" 
       1 78 GLU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 79 THR 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 80 MET 0.650 0.041 25 0 "[    .    1    .    2    .]" 
       1 81 LYS 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 83 GLU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 85 LEU 0.027 0.019 19 0 "[    .    1    .    2    .]" 
       1 86 GLY 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 ALA MB   1 65 SER HA   1.800 . 5.000 3.767 3.261 4.163     .  0 0 "[    .    1    .    2    .]" 2 
         2 1  2 GLN HA   1 63 SER HA   1.800 . 2.850 2.076 1.973 2.237     .  0 0 "[    .    1    .    2    .]" 2 
         3 1  2 GLN HA   1 63 SER HB2  1.800 . 4.500 4.399 4.193 4.503 0.003  2 0 "[    .    1    .    2    .]" 2 
         4 1  2 GLN HA   1  2 GLN HB3  1.800 . 2.850 2.415 2.398 2.432     .  0 0 "[    .    1    .    2    .]" 2 
         5 1  2 GLN HA   1 62 ILE MG   1.800 . 5.000 3.969 3.717 4.156     .  0 0 "[    .    1    .    2    .]" 2 
         6 1  2 GLN HA   1 73 LEU MD2  1.800 . 6.000 3.435 2.880 4.155     .  0 0 "[    .    1    .    2    .]" 2 
         7 1  3 LYS HB2  1 73 LEU MD2  1.800 . 6.000 3.528 2.876 4.250     .  0 0 "[    .    1    .    2    .]" 2 
         8 1  3 LYS HA   1  3 LYS QG   1.800 . 4.500 2.109 1.982 2.289     .  0 0 "[    .    1    .    2    .]" 2 
         9 1  4 THR HA   1  4 THR MG   1.800 . 5.000 2.277 2.125 2.385     .  0 0 "[    .    1    .    2    .]" 2 
        10 1  5 PHE HA   1  5 PHE HB3  1.800 . 2.850 2.526 2.462 2.585     .  0 0 "[    .    1    .    2    .]" 2 
        11 1  5 PHE HB2  1 60 ILE MD   1.800 . 6.000 2.159 1.958 2.545     .  0 0 "[    .    1    .    2    .]" 2 
        12 1  5 PHE HB3  1 60 ILE MD   1.800 . 6.000 2.866 2.354 3.183     .  0 0 "[    .    1    .    2    .]" 2 
        13 1  5 PHE HB2  1 60 ILE HG13 1.800 . 4.500 2.078 1.986 2.283     .  0 0 "[    .    1    .    2    .]" 2 
        14 1  5 PHE HB3  1 60 ILE HG13 1.800 . 4.500 3.565 3.259 3.907     .  0 0 "[    .    1    .    2    .]" 2 
        15 1  5 PHE HB3  1 60 ILE HG12 1.800 . 4.500 3.897 3.642 4.284     .  0 0 "[    .    1    .    2    .]" 2 
        16 1  7 VAL HA   1 86 GLY HA3  1.800 . 3.850 2.874 2.256 3.428     .  0 0 "[    .    1    .    2    .]" 2 
        17 1  7 VAL HA   1 86 GLY HA2  1.800 . 3.850 3.295 2.487 3.804     .  0 0 "[    .    1    .    2    .]" 2 
        18 1  7 VAL HA   1  7 VAL MG1  1.800 . 5.000 2.309 2.162 2.372     .  0 0 "[    .    1    .    2    .]" 2 
        19 1  7 VAL HA   1  7 VAL MG2  1.800 . 5.000 2.420 2.327 2.523     .  0 0 "[    .    1    .    2    .]" 2 
        20 1  7 VAL HB   1 58 ALA MB   1.800 . 4.350 2.275 2.021 2.626     .  0 0 "[    .    1    .    2    .]" 2 
        21 1  7 VAL MG1  1 12 GLY HA2  1.800 . 5.000 2.604 2.007 3.396     .  0 0 "[    .    1    .    2    .]" 2 
        22 1  7 VAL MG1  1 56 LYS HA   1.800 . 5.000 3.013 2.442 3.763     .  0 0 "[    .    1    .    2    .]" 2 
        23 1  9 ALA MB   1 85 LEU MD2  1.800 . 5.000 2.428 1.932 2.816     .  0 0 "[    .    1    .    2    .]" 2 
        24 1  7 VAL MG1  1  9 ALA MB   1.800 . 5.000 3.079 2.836 3.360     .  0 0 "[    .    1    .    2    .]" 2 
        25 1 10 ASP HA   1 56 LYS QD   1.800 . 3.850 2.714 1.951 3.445     .  0 0 "[    .    1    .    2    .]" 2 
        26 1 12 GLY HA3  1 55 ALA HA   1.800 . 2.850 2.335 1.992 2.848     .  0 0 "[    .    1    .    2    .]" 2 
        27 1 12 GLY HA2  1 55 ALA HA   1.800 . 4.500 3.335 2.520 4.078     .  0 0 "[    .    1    .    2    .]" 2 
        28 1 13 ILE HA   1 13 ILE HG12 1.800 . 3.850 2.766 2.571 3.376     .  0 0 "[    .    1    .    2    .]" 2 
        29 1 13 ILE HA   1 13 ILE HG13 1.800 . 4.500 3.235 2.944 3.850     .  0 0 "[    .    1    .    2    .]" 2 
        30 1 13 ILE HA   1 17 PRO HG2  1.800 . 4.500 2.090 1.975 2.404     .  0 0 "[    .    1    .    2    .]" 2 
        31 1 13 ILE HB   1 54 ILE HB   1.800 . 2.850 2.280 1.986 2.623     .  0 0 "[    .    1    .    2    .]" 2 
        32 1 13 ILE HB   1 54 ILE MG   1.800 . 5.000 3.059 2.552 3.570     .  0 0 "[    .    1    .    2    .]" 2 
        33 1 13 ILE HA   1 13 ILE MG   1.800 . 5.000 2.308 2.160 2.395     .  0 0 "[    .    1    .    2    .]" 2 
        34 1 13 ILE HG12 1 13 ILE MG   1.800 . 5.000 2.497 2.173 3.204     .  0 0 "[    .    1    .    2    .]" 2 
        35 1 13 ILE HA   1 13 ILE MD   1.800 . 5.000 3.440 2.056 3.879     .  0 0 "[    .    1    .    2    .]" 2 
        36 1 15 ALA HA   1 18 ALA MB   1.800 . 5.000 2.135 1.968 2.426     .  0 0 "[    .    1    .    2    .]" 2 
        37 1 15 ALA HA   1 46 ILE MG   1.800 . 5.000 2.311 2.108 2.512     .  0 0 "[    .    1    .    2    .]" 2 
        38 1 15 ALA MB   1 46 ILE MG   1.800 . 5.000 2.480 2.327 2.704     .  0 0 "[    .    1    .    2    .]" 2 
        39 1 16 ARG HA   1 19 THR HB   1.800 . 4.500 3.900 3.503 4.061     .  0 0 "[    .    1    .    2    .]" 2 
        40 1 16 ARG HA   1 16 ARG QG   1.800 . 3.850 2.153 1.982 2.611     .  0 0 "[    .    1    .    2    .]" 2 
        41 1 16 ARG HA   1 19 THR MG   1.800 . 6.000 4.759 4.531 4.939     .  0 0 "[    .    1    .    2    .]" 2 
        42 1 16 ARG QB   1 16 ARG QD   1.800 . 3.850 2.134 1.955 2.397     .  0 0 "[    .    1    .    2    .]" 2 
        43 1 16 ARG HA   1 16 ARG QD   1.800 . 4.500 3.220 2.074 4.007     .  0 0 "[    .    1    .    2    .]" 2 
        44 1 17 PRO HA   1 20 VAL HB   1.800 . 3.850 3.021 2.874 3.253     .  0 0 "[    .    1    .    2    .]" 2 
        45 1 17 PRO HA   1 85 LEU QD   1.800 . 6.000 2.861 2.207 3.367     .  0 0 "[    .    1    .    2    .]" 2 
        46 1 17 PRO HB3  1 85 LEU QD   1.800 . 6.000 2.048 1.781 2.505 0.019 19 0 "[    .    1    .    2    .]" 2 
        47 1 18 ALA HA   1 21 LEU QD   1.800 . 6.000 2.880 2.043 3.205     .  0 0 "[    .    1    .    2    .]" 2 
        48 1 18 ALA HA   1 21 LEU HG   1.800 . 4.500 4.053 3.778 4.270     .  0 0 "[    .    1    .    2    .]" 2 
        49 1 18 ALA HA   1 21 LEU HB2  1.800 . 4.500 2.901 2.721 3.036     .  0 0 "[    .    1    .    2    .]" 2 
        50 1 18 ALA HA   1 49 VAL MG1  1.800 . 5.000 3.880 3.507 4.168     .  0 0 "[    .    1    .    2    .]" 2 
        51 1 17 PRO HB2  1 18 ALA MB   1.800 . 6.000 4.573 4.485 4.656     .  0 0 "[    .    1    .    2    .]" 2 
        52 1 18 ALA MB   1 49 VAL MG1  1.800 . 5.000 2.770 2.464 3.353     .  0 0 "[    .    1    .    2    .]" 2 
        53 1 18 ALA MB   1 46 ILE MG   1.800 . 5.000 1.901 1.814 2.108     .  0 0 "[    .    1    .    2    .]" 2 
        54 1 18 ALA MB   1 46 ILE HG12 1.800 . 5.000 2.903 2.555 4.176     .  0 0 "[    .    1    .    2    .]" 2 
        55 1 19 THR HA   1 22 VAL HB   1.800 . 3.850 3.818 3.748 3.861 0.011 22 0 "[    .    1    .    2    .]" 2 
        56 1 19 THR HA   1 19 THR MG   1.800 . 5.000 2.134 2.016 2.263     .  0 0 "[    .    1    .    2    .]" 2 
        57 1 19 THR HA   1 22 VAL QG   1.800 . 5.000 1.827 1.815 1.836     .  0 0 "[    .    1    .    2    .]" 2 
        58 1 20 VAL HA   1 23 GLN HB2  1.800 . 4.500 3.044 2.770 3.186     .  0 0 "[    .    1    .    2    .]" 2 
        59 1 20 VAL HA   1 20 VAL HB   1.800 . 2.850 3.013 3.010 3.017 0.167 20 0 "[    .    1    .    2    .]" 2 
        60 1 20 VAL HA   1 20 VAL MG2  1.800 . 5.000 2.420 2.361 2.503     .  0 0 "[    .    1    .    2    .]" 2 
        61 1 20 VAL HB   1 21 LEU HG   1.800 . 2.850 2.946 2.919 2.964 0.114  7 0 "[    .    1    .    2    .]" 2 
        62 1 21 LEU HA   1 24 THR HB   1.800 . 3.850 3.379 2.979 3.742     .  0 0 "[    .    1    .    2    .]" 2 
        63 1 21 LEU HA   1 21 LEU QD   1.800 . 5.000 2.001 1.938 2.415     .  0 0 "[    .    1    .    2    .]" 2 
        64 1 21 LEU HB2  1 21 LEU QD   1.800 . 5.000 2.285 2.034 2.319     .  0 0 "[    .    1    .    2    .]" 2 
        65 1 21 LEU HB3  1 21 LEU QD   1.800 . 5.000 2.040 2.003 2.090     .  0 0 "[    .    1    .    2    .]" 2 
        66 1 21 LEU HB2  1 21 LEU HG   1.800 . 2.850 2.523 2.500 2.700     .  0 0 "[    .    1    .    2    .]" 2 
        67 1 21 LEU QD   1 85 LEU QD   1.800 . 6.000 3.178 2.755 3.310     .  0 0 "[    .    1    .    2    .]" 2 
        68 1 22 VAL HA   1 25 ALA MB   1.800 . 5.000 3.065 2.793 3.335     .  0 0 "[    .    1    .    2    .]" 2 
        69 1 22 VAL HA   1 22 VAL MG1  1.800 . 4.350 3.205 3.199 3.212     .  0 0 "[    .    1    .    2    .]" 2 
        70 1 22 VAL MG2  1 44 LYS HA   1.800 . 5.000 1.893 1.838 1.982     .  0 0 "[    .    1    .    2    .]" 2 
        71 1 22 VAL HA   1 22 VAL MG2  1.800 . 5.000 2.273 2.234 2.349     .  0 0 "[    .    1    .    2    .]" 2 
        72 1 22 VAL MG2  1 44 LYS QB   1.800 . 5.000 2.835 2.249 3.387     .  0 0 "[    .    1    .    2    .]" 2 
        73 1 22 VAL MG2  1 23 GLN HA   1.800 . 5.000 3.779 3.721 3.839     .  0 0 "[    .    1    .    2    .]" 2 
        74 1 23 GLN HA   1 23 GLN HG3  1.800 . 4.500 3.540 3.447 3.695     .  0 0 "[    .    1    .    2    .]" 2 
        75 1 23 GLN HA   1 23 GLN HG2  1.800 . 3.850 2.251 2.131 2.492     .  0 0 "[    .    1    .    2    .]" 2 
        76 1 23 GLN HB3  1 23 GLN HG2  1.800 . 2.850 2.888 2.866 2.938 0.088 15 0 "[    .    1    .    2    .]" 2 
        77 1 23 GLN HB3  1 23 GLN HG3  1.800 . 2.850 2.834 2.751 2.862 0.012 12 0 "[    .    1    .    2    .]" 2 
        78 1 23 GLN HB2  1 23 GLN HG3  1.800 . 2.850 2.256 2.251 2.274     .  0 0 "[    .    1    .    2    .]" 2 
        79 1 23 GLN HB2  1 23 GLN HG2  1.800 . 2.850 2.836 2.754 2.865 0.015 14 0 "[    .    1    .    2    .]" 2 
        80 1 19 THR HB   1 23 GLN HG3  1.800 . 4.500 4.507 4.433 4.522 0.022 25 0 "[    .    1    .    2    .]" 2 
        81 1 24 THR HA   1 27 LYS QB   1.800 . 4.500 3.797 3.372 4.034     .  0 0 "[    .    1    .    2    .]" 2 
        82 1 24 THR HA   1 24 THR MG   1.800 . 5.000 2.207 2.061 2.353     .  0 0 "[    .    1    .    2    .]" 2 
        83 1 24 THR HB   1 76 LEU MD2  1.800 . 5.000 1.997 1.912 2.253     .  0 0 "[    .    1    .    2    .]" 2 
        84 1 24 THR MG   1 76 LEU MD1  1.800 . 6.000 3.361 2.948 3.667     .  0 0 "[    .    1    .    2    .]" 2 
        85 1 28 TYR HB2  1 72 ALA MB   1.800 . 5.000 2.418 2.156 2.708     .  0 0 "[    .    1    .    2    .]" 2 
        86 1 28 TYR HB3  1 72 ALA MB   1.800 . 5.000 2.043 1.944 2.196     .  0 0 "[    .    1    .    2    .]" 2 
        87 1 30 ALA HA   1 66 GLY HA3  1.800 . 2.850 2.011 1.973 2.325     .  0 0 "[    .    1    .    2    .]" 2 
        88 1 30 ALA HA   1 66 GLY HA2  1.800 . 3.850 3.687 3.502 3.857 0.007  2 0 "[    .    1    .    2    .]" 2 
        89 1 30 ALA MB   1 66 GLY HA3  1.800 . 5.000 2.763 2.440 3.194     .  0 0 "[    .    1    .    2    .]" 2 
        90 1 30 ALA MB   1 69 GLU HA   1.800 . 5.000 2.065 1.937 2.229     .  0 0 "[    .    1    .    2    .]" 2 
        91 1 31 ASP HA   1 31 ASP HB3  1.800 . 2.850 2.541 2.447 2.670     .  0 0 "[    .    1    .    2    .]" 2 
        92 1 32 VAL HA   1 64 ALA HA   1.800 . 2.850 1.971 1.950 1.993     .  0 0 "[    .    1    .    2    .]" 2 
        93 1 32 VAL HA   1 64 ALA MB   1.800 . 4.500 3.342 3.060 3.455     .  0 0 "[    .    1    .    2    .]" 2 
        94 1 32 VAL HA   1 32 VAL MG1  1.800 . 4.350 2.336 2.293 2.391     .  0 0 "[    .    1    .    2    .]" 2 
        95 1 32 VAL MG1  1 64 ALA MB   1.800 . 3.350 1.759 1.688 1.872 0.112 10 0 "[    .    1    .    2    .]" 2 
        96 1 28 TYR HB2  1 32 VAL MG1  1.800 . 4.350 3.666 3.652 3.686     .  0 0 "[    .    1    .    2    .]" 2 
        97 1 32 VAL MG1  1 64 ALA HA   1.800 . 4.350 2.026 1.946 2.252     .  0 0 "[    .    1    .    2    .]" 2 
        98 1 32 VAL HA   1 32 VAL MG2  1.800 . 4.350 3.200 3.187 3.217     .  0 0 "[    .    1    .    2    .]" 2 
        99 1 32 VAL MG2  1 64 ALA HA   1.800 . 5.000 4.230 4.213 4.256     .  0 0 "[    .    1    .    2    .]" 2 
       100 1 33 ASN HA   1 42 ASN HA   1.800 . 3.850 2.456 2.068 2.860     .  0 0 "[    .    1    .    2    .]" 2 
       101 1 33 ASN HA   1 40 THR MG   1.800 . 5.000 4.176 4.133 4.198     .  0 0 "[    .    1    .    2    .]" 2 
       102 1 33 ASN QB   1 40 THR MG   1.800 . 5.000 2.168 2.004 2.489     .  0 0 "[    .    1    .    2    .]" 2 
       103 1 34 LEU HA   1 34 LEU QD   1.800 . 5.000 2.858 1.929 3.027     .  0 0 "[    .    1    .    2    .]" 2 
       104 1 34 LEU HA   1 62 ILE MD   1.800 . 5.000 4.172 3.984 4.198     .  0 0 "[    .    1    .    2    .]" 2 
       105 1 34 LEU HB2  1 62 ILE HG12 1.800 . 4.500 3.050 2.258 3.661     .  0 0 "[    .    1    .    2    .]" 2 
       106 1 34 LEU HA   1 34 LEU HG   1.800 . 3.850 2.292 2.091 3.189     .  0 0 "[    .    1    .    2    .]" 2 
       107 1 34 LEU QD   1 49 VAL QG   1.800 . 6.000 3.114 2.695 3.312     .  0 0 "[    .    1    .    2    .]" 2 
       108 1 35 GLU HA   1 40 THR HA   1.800 . 2.850 2.238 1.971 2.651     .  0 0 "[    .    1    .    2    .]" 2 
       109 1 35 GLU HA   1 40 THR MG   1.800 . 5.000 3.312 2.386 3.796     .  0 0 "[    .    1    .    2    .]" 2 
       110 1 35 GLU HA   1 35 GLU HG2  1.800 . 3.850 2.981 2.261 3.707     .  0 0 "[    .    1    .    2    .]" 2 
       111 1 36 TYR HA   1 60 ILE MG   1.800 . 5.000 3.390 2.424 3.992     .  0 0 "[    .    1    .    2    .]" 2 
       112 1 36 TYR HA   1 60 ILE HA   1.800 . 4.500 3.322 2.867 3.855     .  0 0 "[    .    1    .    2    .]" 2 
       113 1 36 TYR HB3  1 52 LEU QD   1.800 . 5.000 2.197 1.826 3.413     .  0 0 "[    .    1    .    2    .]" 2 
       114 1 36 TYR HB2  1 52 LEU QD   1.800 . 6.000 3.037 2.244 3.724     .  0 0 "[    .    1    .    2    .]" 2 
       115 1 35 GLU HB2  1 40 THR HA   1.800 . 4.500 3.804 2.560 4.430     .  0 0 "[    .    1    .    2    .]" 2 
       116 1 40 THR HA   1 40 THR MG   1.800 . 5.000 2.286 2.063 2.377     .  0 0 "[    .    1    .    2    .]" 2 
       117 1 41 VAL HA   1 41 VAL MG1  1.800 . 5.000 2.094 2.025 2.252     .  0 0 "[    .    1    .    2    .]" 2 
       118 1 41 VAL HB   1 48 GLY HA3  1.800 . 4.500 3.855 2.935 4.258     .  0 0 "[    .    1    .    2    .]" 2 
       119 1 41 VAL MG2  1 49 VAL HA   1.800 . 5.000 2.882 2.213 3.288     .  0 0 "[    .    1    .    2    .]" 2 
       120 1 41 VAL MG2  1 49 VAL MG2  1.800 . 5.000 2.682 2.240 3.109     .  0 0 "[    .    1    .    2    .]" 2 
       121 1 42 ASN QB   1 45 SER HB2  1.800 . 4.500 2.921 2.481 3.876     .  0 0 "[    .    1    .    2    .]" 2 
       122 1 42 ASN QB   1 45 SER HB3  1.800 . 4.500 4.021 3.925 4.045     .  0 0 "[    .    1    .    2    .]" 2 
       123 1 43 LEU HA   1 43 LEU HG   1.800 . 3.850 3.141 2.464 3.652     .  0 0 "[    .    1    .    2    .]" 2 
       124 1 43 LEU HA   1 49 VAL MG2  1.800 . 5.000 3.876 3.140 4.183     .  0 0 "[    .    1    .    2    .]" 2 
       125 1 43 LEU HA   1 43 LEU QD   1.800 . 5.000 2.016 1.874 2.247     .  0 0 "[    .    1    .    2    .]" 2 
       126 1 43 LEU HB2  1 43 LEU QD   1.800 . 5.000 2.219 2.023 2.387     .  0 0 "[    .    1    .    2    .]" 2 
       127 1 43 LEU HB3  1 43 LEU QD   1.800 . 5.000 2.137 2.050 2.178     .  0 0 "[    .    1    .    2    .]" 2 
       128 1 46 ILE HA   1 46 ILE HG13 1.800 . 4.500 3.218 3.134 3.766     .  0 0 "[    .    1    .    2    .]" 2 
       129 1 15 ALA MB   1 46 ILE HA   1.800 . 6.000 5.021 5.005 5.037     .  0 0 "[    .    1    .    2    .]" 2 
       130 1 46 ILE HA   1 46 ILE HG12 1.800 . 3.850 2.561 2.479 3.137     .  0 0 "[    .    1    .    2    .]" 2 
       131 1 22 VAL HB   1 46 ILE HA   1.800 . 4.500 4.538 4.512 4.575 0.075 20 0 "[    .    1    .    2    .]" 2 
       132 1 46 ILE HA   1 46 ILE MG   1.800 . 5.000 2.353 2.320 2.393     .  0 0 "[    .    1    .    2    .]" 2 
       133 1 46 ILE HG12 1 46 ILE MG   1.800 . 5.000 2.419 2.306 3.209     .  0 0 "[    .    1    .    2    .]" 2 
       134 1 18 ALA MB   1 46 ILE MD   1.800 . 6.000 3.444 1.865 3.843     .  0 0 "[    .    1    .    2    .]" 2 
       135 1 46 ILE MG   1 47 MET HA   1.800 . 4.500 3.690 3.492 3.757     .  0 0 "[    .    1    .    2    .]" 2 
       136 1 49 VAL MG1  1 54 ILE HG13 1.800 . 5.000 3.718 3.072 4.144     .  0 0 "[    .    1    .    2    .]" 2 
       137 1 49 VAL MG1  1 54 ILE HG12 1.800 . 6.000 4.627 4.192 5.007     .  0 0 "[    .    1    .    2    .]" 2 
       138 1 15 ALA HA   1 50 VAL QG   1.800 . 5.000 2.824 2.372 3.715     .  0 0 "[    .    1    .    2    .]" 2 
       139 1 52 LEU HA   1 52 LEU QD   1.800 . 5.000 2.390 1.951 2.994     .  0 0 "[    .    1    .    2    .]" 2 
       140 1 52 LEU HB3  1 52 LEU QD   1.800 . 5.000 2.112 2.010 2.240     .  0 0 "[    .    1    .    2    .]" 2 
       141 1 52 LEU HB2  1 52 LEU QD   1.800 . 5.000 2.128 1.939 2.298     .  0 0 "[    .    1    .    2    .]" 2 
       142 1 54 ILE HA   1 54 ILE HG13 1.800 . 3.850 2.950 2.711 3.177     .  0 0 "[    .    1    .    2    .]" 2 
       143 1 54 ILE HA   1 54 ILE MD   1.800 . 6.000 3.882 3.841 3.903     .  0 0 "[    .    1    .    2    .]" 2 
       144 1 54 ILE HA   1 54 ILE MG   1.800 . 5.000 2.266 2.195 2.395     .  0 0 "[    .    1    .    2    .]" 2 
       145 1 54 ILE HA   1 54 ILE HG12 1.800 . 3.850 2.724 2.586 2.864     .  0 0 "[    .    1    .    2    .]" 2 
       146 1 52 LEU HB3  1 54 ILE HG13 1.800 . 4.500 2.975 2.207 3.781     .  0 0 "[    .    1    .    2    .]" 2 
       147 1 52 LEU HB2  1 54 ILE HG13 1.800 . 3.850 2.835 2.296 3.283     .  0 0 "[    .    1    .    2    .]" 2 
       148 1 54 ILE HG12 1 54 ILE MG   1.800 . 5.000 2.266 2.062 2.390     .  0 0 "[    .    1    .    2    .]" 2 
       149 1 54 ILE MG   1 58 ALA MB   1.800 . 5.000 2.231 1.822 2.620     .  0 0 "[    .    1    .    2    .]" 2 
       150 1 54 ILE HG13 1 54 ILE MG   1.800 . 5.000 3.169 3.124 3.196     .  0 0 "[    .    1    .    2    .]" 2 
       151 1 54 ILE MD   1 54 ILE MG   1.800 . 5.000 2.018 1.694 2.359 0.106  5 0 "[    .    1    .    2    .]" 2 
       152 1  7 VAL MG1  1 54 ILE MG   1.800 . 5.000 2.261 1.817 2.835     .  0 0 "[    .    1    .    2    .]" 2 
       153 1 54 ILE HB   1 54 ILE MD   1.800 . 4.350 2.259 2.094 2.399     .  0 0 "[    .    1    .    2    .]" 2 
       154 1 52 LEU QD   1 54 ILE MD   1.800 . 5.500 2.809 1.940 3.404     .  0 0 "[    .    1    .    2    .]" 2 
       155 1 56 LYS HA   1 56 LYS HB3  1.800 . 2.850 2.566 2.425 3.000 0.150  9 0 "[    .    1    .    2    .]" 2 
       156 1  7 VAL MG1  1 58 ALA MB   1.800 . 5.000 2.953 2.521 3.349     .  0 0 "[    .    1    .    2    .]" 2 
       157 1  6 LYS HA   1 59 GLU HA   1.800 . 2.850 2.859 2.780 2.888 0.038 15 0 "[    .    1    .    2    .]" 2 
       158 1 60 ILE HA   1 60 ILE HB   1.800 . 2.850 2.518 2.504 2.535     .  0 0 "[    .    1    .    2    .]" 2 
       159 1 60 ILE HA   1 60 ILE HG12 1.800 . 4.500 3.696 3.661 3.724     .  0 0 "[    .    1    .    2    .]" 2 
       160 1 34 LEU QD   1 60 ILE HA   1.800 . 5.000 3.371 3.000 3.711     .  0 0 "[    .    1    .    2    .]" 2 
       161 1 60 ILE HA   1 60 ILE MD   1.800 . 5.000 4.132 4.124 4.139     .  0 0 "[    .    1    .    2    .]" 2 
       162 1 60 ILE HA   1 60 ILE MG   1.800 . 5.000 2.287 2.175 2.372     .  0 0 "[    .    1    .    2    .]" 2 
       163 1 36 TYR HB2  1 60 ILE MG   1.800 . 5.000 2.904 2.166 4.163     .  0 0 "[    .    1    .    2    .]" 2 
       164 1 61 THR HA   1 61 THR MG   1.800 . 4.350 2.146 2.008 2.274     .  0 0 "[    .    1    .    2    .]" 2 
       165 1 62 ILE HA   1 62 ILE HG12 1.800 . 3.850 2.563 2.462 3.510     .  0 0 "[    .    1    .    2    .]" 2 
       166 1 62 ILE HA   1 62 ILE MD   1.800 . 5.000 3.795 3.232 3.836     .  0 0 "[    .    1    .    2    .]" 2 
       167 1 62 ILE HB   1 62 ILE MD   1.800 . 5.000 2.251 2.031 2.388     .  0 0 "[    .    1    .    2    .]" 2 
       168 1 62 ILE HA   1 62 ILE HG13 1.800 . 3.850 2.948 2.284 3.153     .  0 0 "[    .    1    .    2    .]" 2 
       169 1 62 ILE HA   1 62 ILE MG   1.800 . 5.000 2.327 2.275 2.389     .  0 0 "[    .    1    .    2    .]" 2 
       170 1 62 ILE MD   1 62 ILE MG   1.800 . 5.000 1.984 1.746 3.148 0.054 18 0 "[    .    1    .    2    .]" 2 
       171 1  2 GLN HB3  1 63 SER HA   1.800 . 2.850 2.068 1.981 2.162     .  0 0 "[    .    1    .    2    .]" 2 
       172 1 64 ALA MB   1 69 GLU HA   1.800 . 4.500 2.154 1.960 2.444     .  0 0 "[    .    1    .    2    .]" 2 
       173 1 65 SER HA   1 69 GLU HB2  1.800 . 3.850 3.160 2.942 3.333     .  0 0 "[    .    1    .    2    .]" 2 
       174 1 65 SER HA   1 69 GLU HB3  1.800 . 3.850 2.752 2.258 2.952     .  0 0 "[    .    1    .    2    .]" 2 
       175 1 65 SER HA   1 65 SER HB2  1.800 . 2.850 2.892 2.852 2.959 0.109 14 0 "[    .    1    .    2    .]" 2 
       176 1 65 SER HA   1 65 SER HB3  1.800 . 2.850 2.673 2.277 2.866 0.016  3 0 "[    .    1    .    2    .]" 2 
       177 1 31 ASP HB2  1 65 SER HB2  1.800 . 4.500 3.550 2.380 4.444     .  0 0 "[    .    1    .    2    .]" 2 
       178 1 68 ASP HA   1 68 ASP HB3  1.800 . 2.850 2.421 2.407 2.435     .  0 0 "[    .    1    .    2    .]" 2 
       179 1 72 ALA HA   1 75 ALA MB   1.800 . 5.000 2.411 2.252 2.550     .  0 0 "[    .    1    .    2    .]" 2 
       180 1 64 ALA MB   1 72 ALA MB   1.800 . 5.000 2.415 2.239 2.838     .  0 0 "[    .    1    .    2    .]" 2 
       181 1 73 LEU HA   1 73 LEU MD1  1.800 . 4.350 3.512 3.469 3.591     .  0 0 "[    .    1    .    2    .]" 2 
       182 1 73 LEU QB   1 73 LEU MD1  1.800 . 5.000 2.081 2.073 2.089     .  0 0 "[    .    1    .    2    .]" 2 
       183 1 73 LEU QB   1 73 LEU MD2  1.800 . 5.000 2.066 2.012 2.090     .  0 0 "[    .    1    .    2    .]" 2 
       184 1 64 ALA MB   1 73 LEU HG   1.800 . 5.000 4.059 3.648 4.187     .  0 0 "[    .    1    .    2    .]" 2 
       185 1 73 LEU HA   1 73 LEU HG   1.800 . 4.500 3.606 3.556 3.634     .  0 0 "[    .    1    .    2    .]" 2 
       186 1 74 ASN HA   1 77 GLU QB   1.800 . 2.850 2.148 1.987 2.324     .  0 0 "[    .    1    .    2    .]" 2 
       187 1 71 ASP HA   1 74 ASN QB   1.800 . 5.500 4.302 4.213 4.379     .  0 0 "[    .    1    .    2    .]" 2 
       188 1 75 ALA HA   1 78 GLU QG   1.800 . 4.500 2.691 2.329 3.596     .  0 0 "[    .    1    .    2    .]" 2 
       189 1 24 THR MG   1 75 ALA MB   1.800 . 5.000 1.904 1.768 2.181 0.032 20 0 "[    .    1    .    2    .]" 2 
       190 1 76 LEU HA   1 76 LEU HG   1.800 . 3.850 2.539 2.470 2.584     .  0 0 "[    .    1    .    2    .]" 2 
       191 1 76 LEU HB2  1 76 LEU MD1  1.800 . 5.000 1.992 1.954 2.088     .  0 0 "[    .    1    .    2    .]" 2 
       192 1 76 LEU HB2  1 76 LEU MD2  1.800 . 5.000 2.955 2.885 2.999     .  0 0 "[    .    1    .    2    .]" 2 
       193 1 24 THR MG   1 76 LEU MD2  1.800 . 5.000 3.068 2.838 3.238     .  0 0 "[    .    1    .    2    .]" 2 
       194 1 77 GLU HA   1 80 MET HB2  1.800 . 3.850 2.931 2.883 3.008     .  0 0 "[    .    1    .    2    .]" 2 
       195 1 77 GLU HA   1 80 MET HB3  1.800 . 4.500 4.526 4.510 4.541 0.041 25 0 "[    .    1    .    2    .]" 2 
       196 1 78 GLU HA   1 78 GLU QG   1.800 . 3.850 3.315 3.303 3.361     .  0 0 "[    .    1    .    2    .]" 2 
       197 1 79 THR HA   1 79 THR MG   1.800 . 5.000 2.282 2.071 2.399     .  0 0 "[    .    1    .    2    .]" 2 
       198 1 76 LEU HA   1 79 THR HB   1.800 . 3.850 2.652 2.381 2.866     .  0 0 "[    .    1    .    2    .]" 2 
       199 1 21 LEU QD   1 79 THR HB   1.800 . 6.600 3.310 2.857 3.746     .  0 0 "[    .    1    .    2    .]" 2 
       200 1 21 LEU HA   1 79 THR MG   1.800 . 5.000 4.080 3.675 4.177     .  0 0 "[    .    1    .    2    .]" 2 
       201 1 81 LYS HA   1 81 LYS HG2  1.800 . 3.850 2.744 2.434 3.369     .  0 0 "[    .    1    .    2    .]" 2 
       202 1 78 GLU HA   1 81 LYS QB   1.800 . 2.850 2.559 2.534 2.576     .  0 0 "[    .    1    .    2    .]" 2 
       203 1 85 LEU HA   1 85 LEU MD2  1.800 . 5.000 2.027 1.934 2.347     .  0 0 "[    .    1    .    2    .]" 2 
       204 1 80 MET HA   1 85 LEU HB2  1.800 . 4.500 2.649 2.286 3.028     .  0 0 "[    .    1    .    2    .]" 2 
       205 1 85 LEU HA   1 85 LEU HG   1.800 . 4.500 2.851 2.563 3.001     .  0 0 "[    .    1    .    2    .]" 2 
       206 1 83 GLU HB3  1 85 LEU HG   1.800 . 4.500 2.996 2.008 4.001     .  0 0 "[    .    1    .    2    .]" 2 
       207 1 80 MET HA   1 85 LEU MD1  1.800 . 5.000 3.000 2.424 3.479     .  0 0 "[    .    1    .    2    .]" 2 
       208 1 85 LEU HB3  1 85 LEU MD1  1.800 . 5.000 2.427 2.314 2.611     .  0 0 "[    .    1    .    2    .]" 2 
       209 1 83 GLU HB3  1 85 LEU MD2  1.800 . 5.000 3.567 2.776 4.175     .  0 0 "[    .    1    .    2    .]" 2 
       210 1 83 GLU HB2  1 85 LEU MD2  1.800 . 6.000 3.921 3.497 4.366     .  0 0 "[    .    1    .    2    .]" 2 
       211 1 85 LEU HB3  1 85 LEU MD2  1.800 . 5.000 2.235 2.144 2.291     .  0 0 "[    .    1    .    2    .]" 2 
       212 1 85 LEU HB2  1 85 LEU MD1  1.800 . 4.350 2.280 2.149 2.379     .  0 0 "[    .    1    .    2    .]" 2 
    stop_

save_


save_distance_constraint_statistics_3
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            3
    _Distance_constraint_stats_list.Constraint_count              51
    _Distance_constraint_stats_list.Viol_count                    21
    _Distance_constraint_stats_list.Viol_total                    3.729
    _Distance_constraint_stats_list.Viol_max                      0.015
    _Distance_constraint_stats_list.Viol_rms                      0.0010
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0001
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0071
    _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 LYS 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1  4 THR 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1  5 PHE 0.037 0.013 18 0 "[    .    1    .    2    .]" 
       1 24 THR 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 25 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 27 LYS 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 28 TYR 0.030 0.013  1 0 "[    .    1    .    2    .]" 
       1 36 TYR 0.081 0.015 12 0 "[    .    1    .    2    .]" 
       1 52 LEU 0.071 0.015 12 0 "[    .    1    .    2    .]" 
       1 54 ILE 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 58 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 60 ILE 0.011 0.011 13 0 "[    .    1    .    2    .]" 
       1 62 ILE 0.024 0.013 18 0 "[    .    1    .    2    .]" 
       1 68 ASP 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 71 ASP 0.012 0.011 13 0 "[    .    1    .    2    .]" 
       1 72 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 75 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 77 GLU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 80 MET 0.004 0.004  6 0 "[    .    1    .    2    .]" 
       1 87 GLU 0.009 0.004 16 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 36 TYR HD1 1 60 ILE HA   1.800 . 4.500 3.356 2.820 4.511 0.011 13 0 "[    .    1    .    2    .]" 3 
        2 1 36 TYR HA  1 36 TYR HD1  1.800 . 2.850 2.180 1.979 2.742     .  0 0 "[    .    1    .    2    .]" 3 
        3 1 36 TYR HD2 1 54 ILE HG12 1.800 . 4.500 3.061 2.353 3.675     .  0 0 "[    .    1    .    2    .]" 3 
        4 1 36 TYR HD2 1 54 ILE MG   1.800 . 6.000 4.610 3.893 5.021     .  0 0 "[    .    1    .    2    .]" 3 
        5 1 36 TYR HD2 1 54 ILE MD   1.800 . 6.000 3.745 3.112 4.189     .  0 0 "[    .    1    .    2    .]" 3 
        6 1 36 TYR HD1 1 60 ILE MG   1.800 . 5.000 2.607 1.909 4.165     .  0 0 "[    .    1    .    2    .]" 3 
        7 1 36 TYR HD2 1 52 LEU QD   1.800 . 5.000 2.198 1.858 2.829     .  0 0 "[    .    1    .    2    .]" 3 
        8 1 36 TYR HD2 1 52 LEU HB3  1.800 . 2.850 2.300 1.993 2.661     .  0 0 "[    .    1    .    2    .]" 3 
        9 1 36 TYR HD2 1 52 LEU HB2  1.800 . 3.850 3.744 3.216 3.865 0.015 12 0 "[    .    1    .    2    .]" 3 
       10 1 28 TYR HA  1 28 TYR HD1  1.800 . 2.850 2.703 2.550 2.863 0.013  1 0 "[    .    1    .    2    .]" 3 
       11 1 25 ALA HA  1 28 TYR HD2  1.800 . 2.850 2.038 1.976 2.263     .  0 0 "[    .    1    .    2    .]" 3 
       12 1 28 TYR QD  1 72 ALA HA   1.800 . 5.000 3.008 2.671 3.187     .  0 0 "[    .    1    .    2    .]" 3 
       13 1 28 TYR HB2 1 28 TYR HD2  1.800 . 2.850 2.391 2.354 2.426     .  0 0 "[    .    1    .    2    .]" 3 
       14 1 28 TYR HD1 1 68 ASP HB2  1.800 . 3.850 2.805 2.395 3.758     .  0 0 "[    .    1    .    2    .]" 3 
       15 1 28 TYR QD  1 72 ALA MB   1.800 . 5.000 2.812 2.499 3.023     .  0 0 "[    .    1    .    2    .]" 3 
       16 1 25 ALA MB  1 28 TYR HD2  1.800 . 5.000 3.783 3.719 3.971     .  0 0 "[    .    1    .    2    .]" 3 
       17 1 24 THR MG  1 28 TYR HD2  1.800 . 5.000 3.237 2.808 3.530     .  0 0 "[    .    1    .    2    .]" 3 
       18 1  4 THR HA  1  5 PHE QD   1.800 . 4.500 3.171 2.804 3.615     .  0 0 "[    .    1    .    2    .]" 3 
       19 1  5 PHE HA  1  5 PHE QD   1.800 . 4.500 2.988 2.815 3.109     .  0 0 "[    .    1    .    2    .]" 3 
       20 1  5 PHE QD  1 87 GLU HA   1.800 . 3.850 3.538 2.588 3.854 0.004 16 0 "[    .    1    .    2    .]" 3 
       21 1  5 PHE QD  1 62 ILE MD   1.800 . 5.000 2.545 1.847 3.012     .  0 0 "[    .    1    .    2    .]" 3 
       22 1  5 PHE HB3 1  5 PHE QD   1.800 . 2.850 2.364 2.305 2.433     .  0 0 "[    .    1    .    2    .]" 3 
       23 1  5 PHE HB2 1  5 PHE QD   1.800 . 2.850 2.475 2.393 2.597     .  0 0 "[    .    1    .    2    .]" 3 
       24 1  5 PHE QD  1 62 ILE MG   1.800 . 6.000 4.434 4.184 4.989     .  0 0 "[    .    1    .    2    .]" 3 
       25 1  5 PHE QD  1 80 MET HG3  1.800 . 3.850 3.681 3.435 3.854 0.004  6 0 "[    .    1    .    2    .]" 3 
       26 1  5 PHE QD  1 80 MET HB3  1.800 . 4.500 3.966 3.745 4.309     .  0 0 "[    .    1    .    2    .]" 3 
       27 1  5 PHE QE  1 77 GLU HA   1.800 . 3.850 2.003 1.932 2.153     .  0 0 "[    .    1    .    2    .]" 3 
       28 1  5 PHE QE  1 62 ILE MD   1.800 . 5.000 2.464 2.109 2.919     .  0 0 "[    .    1    .    2    .]" 3 
       29 1  5 PHE QE  1 62 ILE MG   1.800 . 5.000 3.646 3.354 3.945     .  0 0 "[    .    1    .    2    .]" 3 
       30 1  5 PHE QE  1 62 ILE HB   1.800 . 2.850 2.622 2.208 2.863 0.013 18 0 "[    .    1    .    2    .]" 3 
       31 1  5 PHE QE  1 77 GLU QB   1.800 . 2.850 2.634 2.344 2.764     .  0 0 "[    .    1    .    2    .]" 3 
       32 1  3 LYS HB2 1  5 PHE QE   1.800 . 4.500 3.207 2.169 3.727     .  0 0 "[    .    1    .    2    .]" 3 
       33 1  3 LYS QD  1  5 PHE QE   1.800 . 4.500 3.383 2.817 3.851     .  0 0 "[    .    1    .    2    .]" 3 
       34 1 36 TYR HE1 1 58 ALA HA   1.800 . 4.500 3.763 3.025 4.426     .  0 0 "[    .    1    .    2    .]" 3 
       35 1 36 TYR HE2 1 54 ILE HA   1.800 . 4.500 3.025 2.260 3.934     .  0 0 "[    .    1    .    2    .]" 3 
       36 1 36 TYR HE1 1 58 ALA MB   1.800 . 4.350 2.158 1.830 3.146     .  0 0 "[    .    1    .    2    .]" 3 
       37 1 36 TYR HE2 1 54 ILE MG   1.800 . 6.000 3.860 2.461 4.442     .  0 0 "[    .    1    .    2    .]" 3 
       38 1 36 TYR HE2 1 52 LEU QD   1.800 . 6.000 3.920 3.485 4.444     .  0 0 "[    .    1    .    2    .]" 3 
       39 1 36 TYR HE1 1 60 ILE MG   1.800 . 6.000 3.793 3.347 4.454     .  0 0 "[    .    1    .    2    .]" 3 
       40 1  5 PHE HZ  1 77 GLU HA   1.800 . 3.850 3.241 2.735 3.622     .  0 0 "[    .    1    .    2    .]" 3 
       41 1  5 PHE HZ  1 77 GLU QB   1.800 . 3.850 2.105 2.033 2.256     .  0 0 "[    .    1    .    2    .]" 3 
       42 1  3 LYS QD  1  5 PHE HZ   1.800 . 3.850 2.886 2.226 3.435     .  0 0 "[    .    1    .    2    .]" 3 
       43 1 25 ALA HA  1 28 TYR HE2  1.800 . 4.500 4.108 3.934 4.399     .  0 0 "[    .    1    .    2    .]" 3 
       44 1 24 THR HA  1 28 TYR HE2  1.800 . 5.500 3.903 3.642 4.549     .  0 0 "[    .    1    .    2    .]" 3 
       45 1 28 TYR QE  1 72 ALA HA   1.800 . 5.000 3.140 2.900 3.437     .  0 0 "[    .    1    .    2    .]" 3 
       46 1 28 TYR HE1 1 71 ASP HB3  1.800 . 3.850 2.042 1.984 2.337     .  0 0 "[    .    1    .    2    .]" 3 
       47 1 28 TYR HE1 1 71 ASP HB2  1.800 . 2.850 2.532 2.174 2.861 0.011 13 0 "[    .    1    .    2    .]" 3 
       48 1 28 TYR QE  1 72 ALA MB   1.800 . 6.000 3.931 3.585 4.197     .  0 0 "[    .    1    .    2    .]" 3 
       49 1 24 THR MG  1 28 TYR HE2  1.800 . 5.000 2.058 1.856 2.406     .  0 0 "[    .    1    .    2    .]" 3 
       50 1 28 TYR QE  1 75 ALA MB   1.800 . 5.000 1.977 1.908 2.213     .  0 0 "[    .    1    .    2    .]" 3 
       51 1 27 LYS QB  1 28 TYR HE2  1.800 . 5.000 3.740 3.338 4.103     .  0 0 "[    .    1    .    2    .]" 3 
    stop_

save_


save_distance_constraint_statistics_4
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            4
    _Distance_constraint_stats_list.Constraint_count              197
    _Distance_constraint_stats_list.Viol_count                    105
    _Distance_constraint_stats_list.Viol_total                    79.120
    _Distance_constraint_stats_list.Viol_max                      0.097
    _Distance_constraint_stats_list.Viol_rms                      0.0059
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0006
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0301
    _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  1 ALA 0.077 0.024  2 0 "[    .    1    .    2    .]" 
       1  2 GLN 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1  3 LYS 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1  4 THR 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1  5 PHE 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1  6 LYS 0.311 0.059 15 0 "[    .    1    .    2    .]" 
       1  7 VAL 0.311 0.059 15 0 "[    .    1    .    2    .]" 
       1  8 THR 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1  9 ALA 0.012 0.010 23 0 "[    .    1    .    2    .]" 
       1 10 ASP 0.134 0.051 24 0 "[    .    1    .    2    .]" 
       1 11 SER 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 12 GLY 0.012 0.010 23 0 "[    .    1    .    2    .]" 
       1 13 ILE 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 16 ARG 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 17 PRO 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 18 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 19 THR 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 20 VAL 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 21 LEU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 22 VAL 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 23 GLN 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 24 THR 0.101 0.044 20 0 "[    .    1    .    2    .]" 
       1 25 ALA 0.004 0.004 20 0 "[    .    1    .    2    .]" 
       1 26 SER 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 27 LYS 0.101 0.044 20 0 "[    .    1    .    2    .]" 
       1 28 TYR 0.004 0.004 20 0 "[    .    1    .    2    .]" 
       1 29 ASP 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 30 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 31 ASP 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 32 VAL 0.151 0.036 12 0 "[    .    1    .    2    .]" 
       1 33 ASN 0.055 0.021 17 0 "[    .    1    .    2    .]" 
       1 34 LEU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 35 GLU 0.023 0.014  4 0 "[    .    1    .    2    .]" 
       1 36 TYR 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 38 GLY 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 39 LYS 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 40 THR 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 41 VAL 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 42 ASN 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 43 LEU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 44 LYS 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 45 SER 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 46 ILE 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 47 MET 0.008 0.008 12 0 "[    .    1    .    2    .]" 
       1 48 GLY 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 49 VAL 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 50 VAL 0.008 0.008 12 0 "[    .    1    .    2    .]" 
       1 51 SER 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 52 LEU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 54 ILE 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 55 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 56 LYS 0.173 0.051 24 0 "[    .    1    .    2    .]" 
       1 57 GLY 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 58 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 60 ILE 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 61 THR 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 62 ILE 0.023 0.014  4 0 "[    .    1    .    2    .]" 
       1 63 SER 0.151 0.036 12 0 "[    .    1    .    2    .]" 
       1 64 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 65 SER 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 66 GLY 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 67 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 69 GLU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 70 ASN 0.077 0.024  2 0 "[    .    1    .    2    .]" 
       1 71 ASP 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 72 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 73 LEU 1.848 0.097 12 0 "[    .    1    .    2    .]" 
       1 74 ASN 1.848 0.097 12 0 "[    .    1    .    2    .]" 
       1 75 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 76 LEU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 77 GLU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 78 GLU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 79 THR 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 80 MET 0.025 0.025  7 0 "[    .    1    .    2    .]" 
       1 81 LYS 0.033 0.025  7 0 "[    .    1    .    2    .]" 
       1 82 SER 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 83 GLU 0.003 0.003 25 0 "[    .    1    .    2    .]" 
       1 84 GLY 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 85 LEU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 86 GLY 0.008 0.008 25 0 "[    .    1    .    2    .]" 
       1 87 GLU 0.365 0.046 15 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  5 PHE HB2  1  6 LYS H    1.800 . 4.500 3.831 3.381 4.119     .  0 0 "[    .    1    .    2    .]" 4 
         2 1  6 LYS HB3  1  7 VAL H    1.800 . 3.850 3.699 3.297 3.909 0.059 15 0 "[    .    1    .    2    .]" 4 
         3 1  6 LYS HB2  1  7 VAL H    1.800 . 4.500 4.448 4.301 4.531 0.031 19 0 "[    .    1    .    2    .]" 4 
         4 1  7 VAL HA   1  8 THR H    1.800 . 3.850 2.193 2.179 2.244     .  0 0 "[    .    1    .    2    .]" 4 
         5 1  8 THR H    1  8 THR HB   1.800 . 3.850 2.898 2.669 3.079     .  0 0 "[    .    1    .    2    .]" 4 
         6 1  9 ALA HA   1 10 ASP H    1.800 . 3.850 2.291 2.223 2.444     .  0 0 "[    .    1    .    2    .]" 4 
         7 1 11 SER HA   1 12 GLY H    1.800 . 4.500 3.479 3.053 3.533     .  0 0 "[    .    1    .    2    .]" 4 
         8 1  9 ALA HA   1 12 GLY H    1.800 . 4.500 4.343 4.197 4.510 0.010 23 0 "[    .    1    .    2    .]" 4 
         9 1 13 ILE H    1 54 ILE MD   1.800 . 5.500 3.749 3.283 4.264     .  0 0 "[    .    1    .    2    .]" 4 
        10 1 17 PRO HB3  1 18 ALA H    1.800 . 5.500 4.340 4.269 4.438     .  0 0 "[    .    1    .    2    .]" 4 
        11 1 18 ALA HA   1 19 THR H    1.800 . 3.850 3.489 3.466 3.512     .  0 0 "[    .    1    .    2    .]" 4 
        12 1 19 THR H    1 19 THR MG   1.800 . 4.500 3.746 3.727 3.773     .  0 0 "[    .    1    .    2    .]" 4 
        13 1 20 VAL H    1 20 VAL MG2  1.800 . 4.500 2.073 1.953 2.177     .  0 0 "[    .    1    .    2    .]" 4 
        14 1 20 VAL HB   1 21 LEU H    1.800 . 4.500 2.512 2.273 2.650     .  0 0 "[    .    1    .    2    .]" 4 
        15 1 20 VAL MG2  1 21 LEU H    1.800 . 4.500 3.626 3.488 3.693     .  0 0 "[    .    1    .    2    .]" 4 
        16 1 21 LEU H    1 76 LEU MD2  1.800 . 5.500 4.587 4.539 4.606     .  0 0 "[    .    1    .    2    .]" 4 
        17 1 22 VAL H    1 22 VAL MG2  1.800 . 5.500 3.778 3.770 3.786     .  0 0 "[    .    1    .    2    .]" 4 
        18 1 22 VAL H    1 22 VAL HB   1.800 . 3.850 2.525 2.466 2.581     .  0 0 "[    .    1    .    2    .]" 4 
        19 1 20 VAL HA   1 23 GLN H    1.800 . 4.500 3.835 3.700 3.956     .  0 0 "[    .    1    .    2    .]" 4 
        20 1 23 GLN H    1 23 GLN HB2  1.800 . 3.850 2.315 2.226 2.445     .  0 0 "[    .    1    .    2    .]" 4 
        21 1 22 VAL HB   1 23 GLN H    1.800 . 4.500 4.060 4.019 4.097     .  0 0 "[    .    1    .    2    .]" 4 
        22 1 22 VAL MG1  1 23 GLN H    1.800 . 4.500 2.244 2.184 2.285     .  0 0 "[    .    1    .    2    .]" 4 
        23 1 22 VAL MG2  1 23 GLN H    1.800 . 4.500 3.757 3.749 3.766     .  0 0 "[    .    1    .    2    .]" 4 
        24 1 25 ALA H    1 76 LEU MD2  1.800 . 4.500 2.071 1.926 2.455     .  0 0 "[    .    1    .    2    .]" 4 
        25 1 23 GLN HA   1 26 SER H    1.800 . 4.500 3.739 3.571 3.918     .  0 0 "[    .    1    .    2    .]" 4 
        26 1 24 THR HA   1 27 LYS H    1.800 . 3.850 3.798 3.671 3.894 0.044 20 0 "[    .    1    .    2    .]" 4 
        27 1 27 LYS H    1 27 LYS QB   1.800 . 3.850 2.360 2.173 2.676     .  0 0 "[    .    1    .    2    .]" 4 
        28 1 27 LYS H    1 27 LYS QG   1.800 . 4.500 2.684 1.947 3.507     .  0 0 "[    .    1    .    2    .]" 4 
        29 1 27 LYS H    1 27 LYS HD3  1.800 . 4.500 3.395 2.199 4.459     .  0 0 "[    .    1    .    2    .]" 4 
        30 1 26 SER QB   1 27 LYS H    1.800 . 4.500 2.695 2.523 3.449     .  0 0 "[    .    1    .    2    .]" 4 
        31 1 25 ALA HA   1 28 TYR H    1.800 . 3.850 3.197 3.054 3.854 0.004 20 0 "[    .    1    .    2    .]" 4 
        32 1 27 LYS HA   1 28 TYR H    1.800 . 3.850 3.487 3.070 3.522     .  0 0 "[    .    1    .    2    .]" 4 
        33 1 28 TYR H    1 28 TYR HD2  1.800 . 3.850 2.578 2.303 3.421     .  0 0 "[    .    1    .    2    .]" 4 
        34 1 28 TYR HB2  1 29 ASP H    1.800 . 4.500 4.242 4.104 4.380     .  0 0 "[    .    1    .    2    .]" 4 
        35 1 28 TYR HB2  1 30 ALA H    1.800 . 4.500 3.819 3.405 4.094     .  0 0 "[    .    1    .    2    .]" 4 
        36 1 31 ASP H    1 66 GLY HA3  1.800 . 3.850 3.056 2.733 3.375     .  0 0 "[    .    1    .    2    .]" 4 
        37 1 31 ASP H    1 31 ASP HB3  1.800 . 3.850 3.634 3.521 3.720     .  0 0 "[    .    1    .    2    .]" 4 
        38 1 31 ASP HB3  1 32 VAL H    1.800 . 5.500 4.082 3.927 4.248     .  0 0 "[    .    1    .    2    .]" 4 
        39 1 33 ASN H    1 33 ASN HB2  1.800 . 2.850 2.622 2.400 2.782     .  0 0 "[    .    1    .    2    .]" 4 
        40 1 33 ASN H    1 33 ASN HB3  1.800 . 3.850 3.774 3.650 3.871 0.021 17 0 "[    .    1    .    2    .]" 4 
        41 1 34 LEU H    1 34 LEU HB3  1.800 . 3.850 2.637 2.373 2.867     .  0 0 "[    .    1    .    2    .]" 4 
        42 1 34 LEU H    1 34 LEU HG   1.800 . 4.500 4.433 4.301 4.498     .  0 0 "[    .    1    .    2    .]" 4 
        43 1 34 LEU H    1 43 LEU H    1.800 . 4.500 3.361 2.836 3.732     .  0 0 "[    .    1    .    2    .]" 4 
        44 1 34 LEU HA   1 35 GLU H    1.800 . 3.850 2.299 2.199 2.410     .  0 0 "[    .    1    .    2    .]" 4 
        45 1 35 GLU H    1 62 ILE HA   1.800 . 3.850 3.492 3.162 3.864 0.014  4 0 "[    .    1    .    2    .]" 4 
        46 1 36 TYR H    1 39 LYS HA   1.800 . 5.500 4.721 4.363 5.018     .  0 0 "[    .    1    .    2    .]" 4 
        47 1 35 GLU QB   1 36 TYR H    1.800 . 4.500 3.649 3.319 3.960     .  0 0 "[    .    1    .    2    .]" 4 
        48 1 36 TYR H    1 41 VAL MG2  1.800 . 5.500 4.322 3.525 4.596     .  0 0 "[    .    1    .    2    .]" 4 
        49 1 38 GLY HA3  1 39 LYS H    1.800 . 4.500 3.261 2.832 3.508     .  0 0 "[    .    1    .    2    .]" 4 
        50 1 39 LYS HA   1 40 THR H    1.800 . 3.650 2.308 2.178 2.607     .  0 0 "[    .    1    .    2    .]" 4 
        51 1 40 THR H    1 40 THR HB   1.800 . 3.850 2.732 2.581 3.031     .  0 0 "[    .    1    .    2    .]" 4 
        52 1 41 VAL H    1 41 VAL MG1  1.800 . 3.850 3.172 2.824 3.239     .  0 0 "[    .    1    .    2    .]" 4 
        53 1 41 VAL HA   1 42 ASN H    1.800 . 3.650 2.274 2.253 2.296     .  0 0 "[    .    1    .    2    .]" 4 
        54 1 41 VAL MG1  1 42 ASN H    1.800 . 5.500 3.499 3.384 3.712     .  0 0 "[    .    1    .    2    .]" 4 
        55 1 41 VAL MG2  1 42 ASN H    1.800 . 5.500 4.043 3.898 4.108     .  0 0 "[    .    1    .    2    .]" 4 
        56 1 44 LYS HA   1 45 SER H    1.800 . 3.850 2.676 2.573 2.762     .  0 0 "[    .    1    .    2    .]" 4 
        57 1 45 SER H    1 45 SER HB3  1.800 . 3.850 3.048 2.839 3.170     .  0 0 "[    .    1    .    2    .]" 4 
        58 1 43 LEU MD1  1 45 SER H    1.800 . 5.500 4.273 3.890 4.742     .  0 0 "[    .    1    .    2    .]" 4 
        59 1 43 LEU MD2  1 45 SER H    1.800 . 6.000 4.867 4.409 5.228     .  0 0 "[    .    1    .    2    .]" 4 
        60 1 47 MET H    1 47 MET QB   1.800 . 3.850 2.262 2.198 2.312     .  0 0 "[    .    1    .    2    .]" 4 
        61 1 45 SER HA   1 48 GLY H    1.800 . 4.500 3.710 3.590 3.951     .  0 0 "[    .    1    .    2    .]" 4 
        62 1 48 GLY QA   1 49 VAL H    1.800 . 4.500 2.790 2.688 2.871     .  0 0 "[    .    1    .    2    .]" 4 
        63 1 49 VAL HB   1 50 VAL H    1.800 . 3.850 2.773 2.520 2.954     .  0 0 "[    .    1    .    2    .]" 4 
        64 1 51 SER HA   1 52 LEU H    1.800 . 3.850 3.523 3.498 3.557     .  0 0 "[    .    1    .    2    .]" 4 
        65 1 52 LEU H    1 52 LEU QB   1.800 . 3.850 2.363 2.180 2.523     .  0 0 "[    .    1    .    2    .]" 4 
        66 1 52 LEU H    1 52 LEU HB2  1.800 . 3.850 2.398 2.201 2.574     .  0 0 "[    .    1    .    2    .]" 4 
        67 1 56 LYS H    1 56 LYS HB3  1.800 . 3.850 2.835 2.381 3.617     .  0 0 "[    .    1    .    2    .]" 4 
        68 1 56 LYS H    1 56 LYS HB2  1.800 . 3.850 3.208 2.166 3.644     .  0 0 "[    .    1    .    2    .]" 4 
        69 1 55 ALA MB   1 56 LYS H    1.800 . 3.850 2.166 1.983 2.477     .  0 0 "[    .    1    .    2    .]" 4 
        70 1 56 LYS QG   1 57 GLY H    1.800 . 4.500 3.609 1.994 4.062     .  0 0 "[    .    1    .    2    .]" 4 
        71 1 61 THR HA   1 62 ILE H    1.800 . 3.650 2.206 2.174 2.416     .  0 0 "[    .    1    .    2    .]" 4 
        72 1  4 THR HA   1 62 ILE H    1.800 . 3.850 2.893 2.564 3.210     .  0 0 "[    .    1    .    2    .]" 4 
        73 1 62 ILE H    1 62 ILE HG13 1.800 . 3.850 2.575 2.355 3.311     .  0 0 "[    .    1    .    2    .]" 4 
        74 1 62 ILE HA   1 63 SER H    1.800 . 3.650 2.339 2.267 2.424     .  0 0 "[    .    1    .    2    .]" 4 
        75 1 32 VAL HA   1 63 SER H    1.800 . 3.850 3.703 3.370 3.886 0.036 12 0 "[    .    1    .    2    .]" 4 
        76 1  2 GLN HA   1 64 ALA H    1.800 . 3.850 2.465 2.091 2.813     .  0 0 "[    .    1    .    2    .]" 4 
        77 1 64 ALA H    1 73 LEU MD2  1.800 . 5.500 3.786 3.139 4.262     .  0 0 "[    .    1    .    2    .]" 4 
        78 1 65 SER H    1 65 SER HB2  1.800 . 3.850 2.842 2.604 3.251     .  0 0 "[    .    1    .    2    .]" 4 
        79 1 70 ASN H    1 70 ASN QB   1.800 . 3.850 2.291 2.171 2.504     .  0 0 "[    .    1    .    2    .]" 4 
        80 1  1 ALA MB   1 70 ASN H    1.800 . 4.350 3.555 3.285 3.652     .  0 0 "[    .    1    .    2    .]" 4 
        81 1 71 ASP HB2  1 72 ALA H    1.800 . 3.850 3.027 2.764 3.169     .  0 0 "[    .    1    .    2    .]" 4 
        82 1 71 ASP HB3  1 72 ALA H    1.800 . 4.500 4.023 3.884 4.128     .  0 0 "[    .    1    .    2    .]" 4 
        83 1 73 LEU H    1 73 LEU HB3  1.800 . 3.850 2.556 2.507 2.620     .  0 0 "[    .    1    .    2    .]" 4 
        84 1 73 LEU H    1 73 LEU HB2  1.800 . 3.850 3.642 3.632 3.654     .  0 0 "[    .    1    .    2    .]" 4 
        85 1 73 LEU HB3  1 74 ASN H    1.800 . 3.850 3.924 3.907 3.947 0.097 12 0 "[    .    1    .    2    .]" 4 
        86 1 73 LEU HB2  1 74 ASN H    1.800 . 4.500 3.753 3.590 3.832     .  0 0 "[    .    1    .    2    .]" 4 
        87 1 76 LEU H    1 76 LEU MD2  1.800 . 4.500 3.790 3.765 3.812     .  0 0 "[    .    1    .    2    .]" 4 
        88 1 72 ALA MB   1 76 LEU H    1.800 . 5.500 4.619 4.587 4.663     .  0 0 "[    .    1    .    2    .]" 4 
        89 1 73 LEU HA   1 76 LEU H    1.800 . 4.500 3.921 3.633 4.046     .  0 0 "[    .    1    .    2    .]" 4 
        90 1 74 ASN HA   1 77 GLU H    1.800 . 4.500 3.295 3.200 3.450     .  0 0 "[    .    1    .    2    .]" 4 
        91 1 77 GLU H    1 77 GLU QB   1.800 . 3.850 2.268 2.248 2.277     .  0 0 "[    .    1    .    2    .]" 4 
        92 1 77 GLU H    1 77 GLU QG   1.800 . 4.500 4.009 3.987 4.025     .  0 0 "[    .    1    .    2    .]" 4 
        93 1 76 LEU HB2  1 77 GLU H    1.800 . 3.850 2.882 2.714 3.027     .  0 0 "[    .    1    .    2    .]" 4 
        94 1 73 LEU MD1  1 77 GLU H    1.800 . 5.500 4.629 4.606 4.661     .  0 0 "[    .    1    .    2    .]" 4 
        95 1 76 LEU MD1  1 77 GLU H    1.800 . 4.500 3.768 3.753 3.790     .  0 0 "[    .    1    .    2    .]" 4 
        96 1 75 ALA HA   1 78 GLU H    1.800 . 5.500 3.961 3.698 4.213     .  0 0 "[    .    1    .    2    .]" 4 
        97 1 77 GLU QB   1 78 GLU H    1.800 . 3.850 2.298 2.127 2.688     .  0 0 "[    .    1    .    2    .]" 4 
        98 1 78 GLU H    1 78 GLU HG3  1.800 . 4.500 2.995 2.015 3.993     .  0 0 "[    .    1    .    2    .]" 4 
        99 1 78 GLU H    1 78 GLU HG2  1.800 . 4.500 2.212 1.984 3.062     .  0 0 "[    .    1    .    2    .]" 4 
       100 1 79 THR H    1 80 MET H    1.800 . 3.850 2.536 2.487 2.603     .  0 0 "[    .    1    .    2    .]" 4 
       101 1 79 THR H    1 79 THR HB   1.800 . 3.850 2.622 2.542 2.843     .  0 0 "[    .    1    .    2    .]" 4 
       102 1 76 LEU HA   1 79 THR H    1.800 . 4.500 3.367 3.240 3.524     .  0 0 "[    .    1    .    2    .]" 4 
       103 1 80 MET H    1 80 MET QG   1.800 . 3.850 2.703 2.181 3.113     .  0 0 "[    .    1    .    2    .]" 4 
       104 1 81 LYS H    1 81 LYS HB2  1.800 . 3.650 2.319 2.188 2.517     .  0 0 "[    .    1    .    2    .]" 4 
       105 1 80 MET QB   1 81 LYS H    1.800 . 3.850 2.812 2.659 2.898     .  0 0 "[    .    1    .    2    .]" 4 
       106 1 81 LYS H    1 81 LYS QD   1.800 . 4.500 3.546 2.630 4.019     .  0 0 "[    .    1    .    2    .]" 4 
       107 1 81 LYS H    1 81 LYS HG3  1.800 . 3.850 3.136 2.380 3.746     .  0 0 "[    .    1    .    2    .]" 4 
       108 1 81 LYS H    1 81 LYS HG2  1.800 . 4.500 3.577 2.176 4.373     .  0 0 "[    .    1    .    2    .]" 4 
       109 1 80 MET HB3  1 81 LYS H    1.800 . 3.850 3.641 3.404 3.875 0.025  7 0 "[    .    1    .    2    .]" 4 
       110 1 82 SER H    1 82 SER HB3  1.800 . 3.850 2.734 2.404 3.039     .  0 0 "[    .    1    .    2    .]" 4 
       111 1 82 SER HB3  1 83 GLU H    1.800 . 4.500 3.752 3.661 4.180     .  0 0 "[    .    1    .    2    .]" 4 
       112 1 82 SER HB2  1 83 GLU H    1.800 . 3.850 3.264 2.667 3.818     .  0 0 "[    .    1    .    2    .]" 4 
       113 1 83 GLU H    1 83 GLU HG2  1.800 . 4.500 3.278 2.050 4.463     .  0 0 "[    .    1    .    2    .]" 4 
       114 1 83 GLU H    1 83 GLU HG3  1.800 . 3.850 3.178 2.403 3.853 0.003 25 0 "[    .    1    .    2    .]" 4 
       115 1 84 GLY HA3  1 85 LEU H    1.800 . 4.500 3.549 3.459 3.581     .  0 0 "[    .    1    .    2    .]" 4 
       116 1 80 MET HB3  1 86 GLY H    1.800 . 4.500 2.521 2.072 3.054     .  0 0 "[    .    1    .    2    .]" 4 
       117 1 85 LEU HG   1 86 GLY H    1.800 . 4.500 4.336 4.155 4.480     .  0 0 "[    .    1    .    2    .]" 4 
       118 1 85 LEU HA   1 86 GLY H    1.800 . 4.500 3.562 3.509 3.589     .  0 0 "[    .    1    .    2    .]" 4 
       119 1 81 LYS HA   1 86 GLY H    1.800 . 5.500 4.882 4.204 5.508 0.008 25 0 "[    .    1    .    2    .]" 4 
       120 1 80 MET QG   1 86 GLY H    1.800 . 4.500 3.958 3.517 4.020     .  0 0 "[    .    1    .    2    .]" 4 
       121 1 85 LEU HB3  1 86 GLY H    1.800 . 4.500 3.437 2.986 3.805     .  0 0 "[    .    1    .    2    .]" 4 
       122 1 87 GLU H    1 87 GLU HB3  1.800 . 3.850 3.357 3.124 3.464     .  0 0 "[    .    1    .    2    .]" 4 
       123 1 87 GLU H    1 87 GLU HB2  1.800 . 3.850 3.853 3.750 3.896 0.046 15 0 "[    .    1    .    2    .]" 4 
       124 1 87 GLU H    1 87 GLU HG3  1.800 . 3.850 3.140 2.142 3.853 0.003 13 0 "[    .    1    .    2    .]" 4 
       125 1  2 GLN HA   1 63 SER HB3  1.800 . 5.500 4.048 3.878 4.318     .  0 0 "[    .    1    .    2    .]" 4 
       126 1  2 GLN HA   1  2 GLN QG   1.800 . 4.500 3.309 3.299 3.380     .  0 0 "[    .    1    .    2    .]" 4 
       127 1  2 GLN HB2  1 63 SER HA   1.800 . 4.500 2.503 2.323 2.824     .  0 0 "[    .    1    .    2    .]" 4 
       128 1  2 GLN QG   1 63 SER HA   1.800 . 4.500 3.995 3.907 4.032     .  0 0 "[    .    1    .    2    .]" 4 
       129 1  3 LYS HB2  1  3 LYS QE   1.800 . 4.500 3.558 2.209 4.030     .  0 0 "[    .    1    .    2    .]" 4 
       130 1  3 LYS HB2  1 73 LEU MD1  1.800 . 4.500 3.024 2.491 3.699     .  0 0 "[    .    1    .    2    .]" 4 
       131 1  4 THR HA   1 61 THR MG   1.800 . 3.850 3.034 2.615 3.209     .  0 0 "[    .    1    .    2    .]" 4 
       132 1  4 THR MG   1 61 THR HA   1.800 . 4.500 2.781 2.357 3.211     .  0 0 "[    .    1    .    2    .]" 4 
       133 1  5 PHE HB2  1 60 ILE HG12 1.800 . 4.500 3.077 2.829 3.414     .  0 0 "[    .    1    .    2    .]" 4 
       134 1  6 LYS HA   1  6 LYS QG   1.800 . 4.500 2.342 2.013 2.780     .  0 0 "[    .    1    .    2    .]" 4 
       135 1 10 ASP HA   1 56 LYS HB3  1.800 . 4.500 3.131 1.990 4.551 0.051 24 0 "[    .    1    .    2    .]" 4 
       136 1 10 ASP HA   1 56 LYS HB2  1.800 . 4.500 3.633 2.317 4.548 0.048 14 0 "[    .    1    .    2    .]" 4 
       137 1 13 ILE HA   1 17 PRO HG3  1.800 . 4.500 2.383 2.124 2.876     .  0 0 "[    .    1    .    2    .]" 4 
       138 1 13 ILE MD   1 54 ILE HB   1.800 . 4.500 3.555 3.114 3.790     .  0 0 "[    .    1    .    2    .]" 4 
       139 1 16 ARG HA   1 17 PRO HD3  1.800 . 4.500 4.001 3.948 4.055     .  0 0 "[    .    1    .    2    .]" 4 
       140 1 17 PRO HB2  1 21 LEU QD   1.800 . 5.500 3.102 2.747 3.539     .  0 0 "[    .    1    .    2    .]" 4 
       141 1 16 ARG HB3  1 17 PRO HD3  1.800 . 3.850 2.078 1.828 2.571     .  0 0 "[    .    1    .    2    .]" 4 
       142 1 16 ARG HB3  1 17 PRO HD2  1.800 . 4.500 3.269 2.972 3.582     .  0 0 "[    .    1    .    2    .]" 4 
       143 1 16 ARG HB2  1 17 PRO HD3  1.800 . 3.850 2.490 1.883 3.379     .  0 0 "[    .    1    .    2    .]" 4 
       144 1 16 ARG HB2  1 17 PRO HD2  1.800 . 4.500 3.106 2.457 3.934     .  0 0 "[    .    1    .    2    .]" 4 
       145 1 18 ALA MB   1 46 ILE HA   1.800 . 4.500 1.951 1.875 2.067     .  0 0 "[    .    1    .    2    .]" 4 
       146 1 20 VAL HA   1 20 VAL MG1  1.800 . 4.500 2.303 2.164 2.373     .  0 0 "[    .    1    .    2    .]" 4 
       147 1 17 PRO HA   1 20 VAL MG2  1.800 . 4.500 2.323 1.986 2.649     .  0 0 "[    .    1    .    2    .]" 4 
       148 1 21 LEU HB3  1 43 LEU MD2  1.800 . 4.500 2.121 1.904 2.407     .  0 0 "[    .    1    .    2    .]" 4 
       149 1 21 LEU QD   1 80 MET QG   1.800 . 4.500 2.694 2.296 2.981     .  0 0 "[    .    1    .    2    .]" 4 
       150 1 25 ALA MB   1 76 LEU MD1  1.800 . 3.850 2.470 2.213 2.675     .  0 0 "[    .    1    .    2    .]" 4 
       151 1 25 ALA MB   1 76 LEU MD2  1.800 . 4.500 2.140 1.875 2.418     .  0 0 "[    .    1    .    2    .]" 4 
       152 1 29 ASP QB   1 67 ALA MB   1.800 . 4.500 3.255 2.905 3.345     .  0 0 "[    .    1    .    2    .]" 4 
       153 1 32 VAL HA   1 32 VAL QG   1.800 . 4.500 2.282 2.245 2.327     .  0 0 "[    .    1    .    2    .]" 4 
       154 1 34 LEU HA   1 62 ILE MG   1.800 . 4.500 3.353 3.161 3.707     .  0 0 "[    .    1    .    2    .]" 4 
       155 1 34 LEU HA   1 62 ILE HG12 1.800 . 4.500 2.596 2.495 4.209     .  0 0 "[    .    1    .    2    .]" 4 
       156 1 41 VAL HA   1 41 VAL MG2  1.800 . 4.500 3.184 3.175 3.199     .  0 0 "[    .    1    .    2    .]" 4 
       157 1 41 VAL MG1  1 49 VAL HA   1.800 . 5.500 3.815 3.137 4.572     .  0 0 "[    .    1    .    2    .]" 4 
       158 1 21 LEU QD   1 43 LEU QD   1.800 . 3.850 2.145 2.134 2.153     .  0 0 "[    .    1    .    2    .]" 4 
       159 1 41 VAL MG1  1 45 SER HB3  1.800 . 4.500 3.810 3.790 3.840     .  0 0 "[    .    1    .    2    .]" 4 
       160 1 41 VAL MG2  1 45 SER HB3  1.800 . 5.500 4.141 3.800 4.429     .  0 0 "[    .    1    .    2    .]" 4 
       161 1 46 ILE HA   1 46 ILE MD   1.800 . 4.500 3.642 1.942 3.803     .  0 0 "[    .    1    .    2    .]" 4 
       162 1 46 ILE HG13 1 46 ILE MG   1.800 . 3.850 3.146 2.433 3.213     .  0 0 "[    .    1    .    2    .]" 4 
       163 1 49 VAL HA   1 49 VAL MG1  1.800 . 3.850 2.291 2.189 2.402     .  0 0 "[    .    1    .    2    .]" 4 
       164 1 49 VAL HA   1 49 VAL MG2  1.800 . 3.850 2.431 2.315 2.469     .  0 0 "[    .    1    .    2    .]" 4 
       165 1 46 ILE HA   1 49 VAL HB   1.800 . 4.500 3.400 3.183 3.768     .  0 0 "[    .    1    .    2    .]" 4 
       166 1 18 ALA MB   1 49 VAL HB   1.800 . 4.500 2.509 2.273 2.803     .  0 0 "[    .    1    .    2    .]" 4 
       167 1 45 SER HB3  1 49 VAL MG2  1.800 . 4.500 2.999 2.348 3.557     .  0 0 "[    .    1    .    2    .]" 4 
       168 1 49 VAL MG1  1 54 ILE MD   1.800 . 3.850 2.340 2.013 2.677     .  0 0 "[    .    1    .    2    .]" 4 
       169 1 47 MET HA   1 50 VAL HB   1.800 . 3.850 3.098 2.456 3.858 0.008 12 0 "[    .    1    .    2    .]" 4 
       170 1 50 VAL HA   1 50 VAL QG   1.800 . 3.850 2.078 2.018 2.341     .  0 0 "[    .    1    .    2    .]" 4 
       171 1 54 ILE HA   1 55 ALA MB   1.800 . 4.500 3.776 3.757 3.804     .  0 0 "[    .    1    .    2    .]" 4 
       172 1  7 VAL MG2  1 54 ILE MG   1.800 . 4.500 2.319 1.970 3.029     .  0 0 "[    .    1    .    2    .]" 4 
       173 1 54 ILE MG   1 60 ILE MG   1.800 . 4.500 2.985 2.660 3.136     .  0 0 "[    .    1    .    2    .]" 4 
       174 1 52 LEU HB2  1 54 ILE MD   1.800 . 4.500 3.392 2.610 3.756     .  0 0 "[    .    1    .    2    .]" 4 
       175 1 52 LEU HB3  1 54 ILE MD   1.800 . 5.500 3.755 2.971 4.267     .  0 0 "[    .    1    .    2    .]" 4 
       176 1 13 ILE MG   1 54 ILE MD   1.800 . 3.850 2.523 2.102 2.681     .  0 0 "[    .    1    .    2    .]" 4 
       177 1 56 LYS HA   1 56 LYS HG3  1.800 . 4.500 3.406 2.190 4.268     .  0 0 "[    .    1    .    2    .]" 4 
       178 1 56 LYS HA   1 56 LYS HG2  1.800 . 3.850 3.366 2.044 3.889 0.039  2 0 "[    .    1    .    2    .]" 4 
       179 1  7 VAL MG2  1 58 ALA MB   1.800 . 4.350 2.551 2.014 3.027     .  0 0 "[    .    1    .    2    .]" 4 
       180 1 60 ILE HB   1 60 ILE MD   1.800 . 3.850 2.283 2.212 2.398     .  0 0 "[    .    1    .    2    .]" 4 
       181 1  7 VAL MG1  1 60 ILE MD   1.800 . 5.500 3.818 3.758 3.834     .  0 0 "[    .    1    .    2    .]" 4 
       182 1  7 VAL MG2  1 60 ILE MD   1.800 . 4.500 2.080 1.903 2.263     .  0 0 "[    .    1    .    2    .]" 4 
       183 1 35 GLU HB3  1 61 THR HB   1.800 . 4.500 2.291 1.995 3.072     .  0 0 "[    .    1    .    2    .]" 4 
       184 1 64 ALA MB   1 69 GLU HB2  1.800 . 4.300 1.996 1.882 2.224     .  0 0 "[    .    1    .    2    .]" 4 
       185 1 29 ASP HB2  1 67 ALA MB   1.800 . 4.500 3.371 2.975 3.628     .  0 0 "[    .    1    .    2    .]" 4 
       186 1  1 ALA HA   1 70 ASN HA   1.800 . 4.500 4.289 3.759 4.524 0.024  2 0 "[    .    1    .    2    .]" 4 
       187 1 30 ALA MB   1 72 ALA MB   1.800 . 4.500 2.630 2.445 2.833     .  0 0 "[    .    1    .    2    .]" 4 
       188 1 73 LEU HA   1 73 LEU MD2  1.800 . 5.500 4.067 4.007 4.088     .  0 0 "[    .    1    .    2    .]" 4 
       189 1 24 THR MG   1 76 LEU HG   1.800 . 3.850 2.222 1.971 2.590     .  0 0 "[    .    1    .    2    .]" 4 
       190 1 76 LEU HA   1 76 LEU MD1  1.800 . 4.500 3.776 3.714 3.812     .  0 0 "[    .    1    .    2    .]" 4 
       191 1 73 LEU HA   1 76 LEU MD1  1.800 . 4.500 2.537 2.007 2.940     .  0 0 "[    .    1    .    2    .]" 4 
       192 1 76 LEU HA   1 76 LEU MD2  1.800 . 3.850 2.956 2.818 3.115     .  0 0 "[    .    1    .    2    .]" 4 
       193 1 76 LEU HB3  1 76 LEU MD2  1.800 . 3.850 2.117 1.979 2.147     .  0 0 "[    .    1    .    2    .]" 4 
       194 1 21 LEU QD   1 79 THR MG   1.800 . 6.500 3.218 2.737 3.640     .  0 0 "[    .    1    .    2    .]" 4 
       195 1 81 LYS HA   1 81 LYS HG3  1.800 . 4.500 2.861 2.049 3.766     .  0 0 "[    .    1    .    2    .]" 4 
       196 1 83 GLU HB2  1 85 LEU HG   1.800 . 3.850 2.633 2.155 3.331     .  0 0 "[    .    1    .    2    .]" 4 
       197 1 85 LEU HA   1 85 LEU MD1  1.800 . 4.500 3.790 3.764 3.811     .  0 0 "[    .    1    .    2    .]" 4 
    stop_

save_


save_distance_constraint_statistics_5
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            5
    _Distance_constraint_stats_list.Constraint_count              72
    _Distance_constraint_stats_list.Viol_count                    219
    _Distance_constraint_stats_list.Viol_total                    140.528
    _Distance_constraint_stats_list.Viol_max                      0.092
    _Distance_constraint_stats_list.Viol_rms                      0.0114
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0031
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0257
    _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 LYS 0.032 0.020  8 0 "[    .    1    .    2    .]" 
       1  5 PHE 0.017 0.017 16 0 "[    .    1    .    2    .]" 
       1  6 LYS 0.098 0.018 14 0 "[    .    1    .    2    .]" 
       1  7 VAL 0.219 0.032 15 0 "[    .    1    .    2    .]" 
       1 15 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 16 ARG 1.737 0.090  2 0 "[    .    1    .    2    .]" 
       1 17 PRO 0.002 0.002  3 0 "[    .    1    .    2    .]" 
       1 18 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 19 THR 0.301 0.030 16 0 "[    .    1    .    2    .]" 
       1 20 VAL 2.199 0.090  2 0 "[    .    1    .    2    .]" 
       1 21 LEU 0.002 0.002  3 0 "[    .    1    .    2    .]" 
       1 22 VAL 0.041 0.014 13 0 "[    .    1    .    2    .]" 
       1 23 GLN 0.301 0.030 16 0 "[    .    1    .    2    .]" 
       1 24 THR 0.462 0.037 11 0 "[    .    1    .    2    .]" 
       1 25 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 26 SER 0.041 0.014 13 0 "[    .    1    .    2    .]" 
       1 31 ASP 0.117 0.019 15 0 "[    .    1    .    2    .]" 
       1 32 VAL 0.011 0.011 11 0 "[    .    1    .    2    .]" 
       1 33 ASN 0.143 0.064  2 0 "[    .    1    .    2    .]" 
       1 34 LEU 0.060 0.018  2 0 "[    .    1    .    2    .]" 
       1 35 GLU 0.039 0.024  2 0 "[    .    1    .    2    .]" 
       1 36 TYR 0.233 0.052  8 0 "[    .    1    .    2    .]" 
       1 39 LYS 0.233 0.052  8 0 "[    .    1    .    2    .]" 
       1 41 VAL 0.060 0.018  2 0 "[    .    1    .    2    .]" 
       1 43 LEU 0.011 0.011 11 0 "[    .    1    .    2    .]" 
       1 58 ALA 0.219 0.032 15 0 "[    .    1    .    2    .]" 
       1 60 ILE 0.017 0.017 16 0 "[    .    1    .    2    .]" 
       1 61 THR 0.039 0.024  2 0 "[    .    1    .    2    .]" 
       1 62 ILE 0.032 0.020  8 0 "[    .    1    .    2    .]" 
       1 63 SER 0.143 0.064  2 0 "[    .    1    .    2    .]" 
       1 65 SER 0.117 0.019 15 0 "[    .    1    .    2    .]" 
       1 68 ASP 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 69 GLU 0.008 0.008 11 0 "[    .    1    .    2    .]" 
       1 70 ASN 0.817 0.066  3 0 "[    .    1    .    2    .]" 
       1 71 ASP 0.986 0.092 22 0 "[    .    1    .    2    .]" 
       1 72 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 73 LEU 0.008 0.008 11 0 "[    .    1    .    2    .]" 
       1 74 ASN 0.817 0.066  3 0 "[    .    1    .    2    .]" 
       1 75 ALA 1.271 0.092 22 0 "[    .    1    .    2    .]" 
       1 76 LEU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 77 GLU 0.014 0.006 21 0 "[    .    1    .    2    .]" 
       1 78 GLU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 79 THR 0.285 0.043 15 0 "[    .    1    .    2    .]" 
       1 80 MET 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 81 LYS 0.014 0.006 21 0 "[    .    1    .    2    .]" 
       1 87 GLU 0.098 0.018 14 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 LYS H 1 62 ILE O 2.300     . 2.500 2.303 2.238 2.512 0.012  2 0 "[    .    1    .    2    .]" 5 
        2 1  3 LYS N 1 62 ILE O 3.300 2.500 3.500 3.103 3.016 3.254     .  0 0 "[    .    1    .    2    .]" 5 
        3 1  3 LYS O 1 62 ILE H 2.300     . 2.500 2.282 2.220 2.520 0.020  8 0 "[    .    1    .    2    .]" 5 
        4 1  3 LYS O 1 62 ILE N 3.300 2.500 3.500 3.115 2.910 3.268     .  0 0 "[    .    1    .    2    .]" 5 
        5 1  5 PHE H 1 60 ILE O 2.300     . 2.500 2.262 2.226 2.487     .  0 0 "[    .    1    .    2    .]" 5 
        6 1  5 PHE N 1 60 ILE O 3.300 2.500 3.500 3.161 3.020 3.377     .  0 0 "[    .    1    .    2    .]" 5 
        7 1  5 PHE O 1 60 ILE H 2.300     . 2.500 2.364 2.226 2.517 0.017 16 0 "[    .    1    .    2    .]" 5 
        8 1  5 PHE O 1 60 ILE N 3.300 2.500 3.500 3.292 3.197 3.475     .  0 0 "[    .    1    .    2    .]" 5 
        9 1  6 LYS O 1 87 GLU H 2.300     . 2.500 2.462 2.279 2.518 0.018 14 0 "[    .    1    .    2    .]" 5 
       10 1  6 LYS O 1 87 GLU N 3.300 2.500 3.500 3.089 2.795 3.382     .  0 0 "[    .    1    .    2    .]" 5 
       11 1  7 VAL H 1 58 ALA O 2.300     . 2.500 2.254 2.203 2.343     .  0 0 "[    .    1    .    2    .]" 5 
       12 1  7 VAL N 1 58 ALA O 3.300 2.500 3.500 3.145 3.056 3.273     .  0 0 "[    .    1    .    2    .]" 5 
       13 1  7 VAL O 1 58 ALA H 2.300     . 2.500 2.487 2.329 2.532 0.032 15 0 "[    .    1    .    2    .]" 5 
       14 1  7 VAL O 1 58 ALA N 3.300 2.500 3.500 3.426 3.269 3.496     .  0 0 "[    .    1    .    2    .]" 5 
       15 1 15 ALA O 1 19 THR H 2.300     . 2.500 2.217 2.197 2.236     .  0 0 "[    .    1    .    2    .]" 5 
       16 1 15 ALA O 1 19 THR N 3.300 2.500 3.500 2.954 2.897 3.026     .  0 0 "[    .    1    .    2    .]" 5 
       17 1 16 ARG O 1 20 VAL H 2.300     . 2.500 2.569 2.546 2.590 0.090  2 0 "[    .    1    .    2    .]" 5 
       18 1 16 ARG O 1 20 VAL N 3.300 2.500 3.500 3.430 3.391 3.457     .  0 0 "[    .    1    .    2    .]" 5 
       19 1 17 PRO O 1 21 LEU H 2.300     . 2.500 2.311 2.226 2.502 0.002  3 0 "[    .    1    .    2    .]" 5 
       20 1 17 PRO O 1 21 LEU N 3.300 2.500 3.500 3.234 3.130 3.417     .  0 0 "[    .    1    .    2    .]" 5 
       21 1 18 ALA O 1 22 VAL H 2.300     . 2.500 2.240 2.212 2.258     .  0 0 "[    .    1    .    2    .]" 5 
       22 1 18 ALA O 1 22 VAL N 3.300 2.500 3.500 3.169 3.111 3.209     .  0 0 "[    .    1    .    2    .]" 5 
       23 1 19 THR O 1 23 GLN H 2.300     . 2.500 2.501 2.363 2.530 0.030 16 0 "[    .    1    .    2    .]" 5 
       24 1 19 THR O 1 23 GLN N 3.300 2.500 3.500 3.307 3.157 3.357     .  0 0 "[    .    1    .    2    .]" 5 
       25 1 20 VAL O 1 24 THR H 2.300     . 2.500 2.518 2.500 2.537 0.037 11 0 "[    .    1    .    2    .]" 5 
       26 1 20 VAL O 1 24 THR N 3.300 2.500 3.500 3.425 3.344 3.489     .  0 0 "[    .    1    .    2    .]" 5 
       27 1 21 LEU O 1 25 ALA H 2.300     . 2.500 2.208 2.189 2.236     .  0 0 "[    .    1    .    2    .]" 5 
       28 1 21 LEU O 1 25 ALA N 3.300 2.500 3.500 3.113 3.038 3.166     .  0 0 "[    .    1    .    2    .]" 5 
       29 1 22 VAL O 1 26 SER H 2.300     . 2.500 2.385 2.232 2.514 0.014 13 0 "[    .    1    .    2    .]" 5 
       30 1 22 VAL O 1 26 SER N 3.300 2.500 3.500 3.076 2.941 3.228     .  0 0 "[    .    1    .    2    .]" 5 
       31 1 31 ASP H 1 65 SER O 2.300     . 2.500 2.248 2.224 2.431     .  0 0 "[    .    1    .    2    .]" 5 
       32 1 31 ASP N 1 65 SER O 3.300 2.500 3.500 3.128 2.922 3.200     .  0 0 "[    .    1    .    2    .]" 5 
       33 1 31 ASP O 1 65 SER H 2.300     . 2.500 2.456 2.241 2.519 0.019 15 0 "[    .    1    .    2    .]" 5 
       34 1 31 ASP O 1 65 SER N 3.300 2.500 3.500 3.284 3.027 3.430     .  0 0 "[    .    1    .    2    .]" 5 
       35 1 32 VAL O 1 43 LEU H 2.300     . 2.500 2.331 2.222 2.511 0.011 11 0 "[    .    1    .    2    .]" 5 
       36 1 32 VAL O 1 43 LEU N 3.300 2.500 3.500 3.265 3.116 3.476     .  0 0 "[    .    1    .    2    .]" 5 
       37 1 33 ASN H 1 63 SER O 2.300     . 2.500 2.348 2.240 2.505 0.005 20 0 "[    .    1    .    2    .]" 5 
       38 1 33 ASN N 1 63 SER O 3.300 2.500 3.500 3.250 3.096 3.384     .  0 0 "[    .    1    .    2    .]" 5 
       39 1 33 ASN O 1 63 SER H 2.300     . 2.500 2.438 2.239 2.564 0.064  2 0 "[    .    1    .    2    .]" 5 
       40 1 33 ASN O 1 63 SER N 3.300 2.500 3.500 3.190 2.927 3.351     .  0 0 "[    .    1    .    2    .]" 5 
       41 1 34 LEU H 1 41 VAL O 2.300     . 2.500 2.250 2.217 2.339     .  0 0 "[    .    1    .    2    .]" 5 
       42 1 34 LEU N 1 41 VAL O 3.300 2.500 3.500 3.032 2.783 3.161     .  0 0 "[    .    1    .    2    .]" 5 
       43 1 34 LEU O 1 41 VAL H 2.300     . 2.500 2.399 2.223 2.518 0.018  2 0 "[    .    1    .    2    .]" 5 
       44 1 34 LEU O 1 41 VAL N 3.300 2.500 3.500 3.118 2.790 3.340     .  0 0 "[    .    1    .    2    .]" 5 
       45 1 35 GLU H 1 61 THR O 1.800     . 2.300 2.250 2.216 2.307 0.007 15 0 "[    .    1    .    2    .]" 5 
       46 1 35 GLU N 1 61 THR O 1.800     . 3.300 2.894 2.641 3.173     .  0 0 "[    .    1    .    2    .]" 5 
       47 1 35 GLU O 1 61 THR H 2.300     . 2.500 2.305 2.230 2.524 0.024  2 0 "[    .    1    .    2    .]" 5 
       48 1 35 GLU O 1 61 THR N 3.300 2.500 3.500 3.207 3.063 3.425     .  0 0 "[    .    1    .    2    .]" 5 
       49 1 36 TYR H 1 39 LYS O 2.300     . 2.500 2.274 2.224 2.499     .  0 0 "[    .    1    .    2    .]" 5 
       50 1 36 TYR N 1 39 LYS O 3.300 2.500 3.500 3.100 2.882 3.366     .  0 0 "[    .    1    .    2    .]" 5 
       51 1 36 TYR O 1 39 LYS H 2.300     . 2.500 2.350 2.217 2.552 0.052  8 0 "[    .    1    .    2    .]" 5 
       52 1 36 TYR O 1 39 LYS N 3.300 2.500 3.500 3.202 2.980 3.510 0.010  8 0 "[    .    1    .    2    .]" 5 
       53 1 68 ASP O 1 72 ALA H 2.300     . 2.500 2.298 2.232 2.476     .  0 0 "[    .    1    .    2    .]" 5 
       54 1 68 ASP O 1 72 ALA N 3.300 2.500 3.500 3.079 2.964 3.244     .  0 0 "[    .    1    .    2    .]" 5 
       55 1 69 GLU O 1 73 LEU H 2.300     . 2.500 2.310 2.229 2.508 0.008 11 0 "[    .    1    .    2    .]" 5 
       56 1 69 GLU O 1 73 LEU N 3.300 2.500 3.500 3.268 3.168 3.461     .  0 0 "[    .    1    .    2    .]" 5 
       57 1 70 ASN O 1 74 ASN H 2.300     . 2.500 2.521 2.330 2.566 0.066  3 0 "[    .    1    .    2    .]" 5 
       58 1 70 ASN O 1 74 ASN N 3.300 2.500 3.500 3.480 3.274 3.532 0.032  3 0 "[    .    1    .    2    .]" 5 
       59 1 71 ASP O 1 75 ALA H 2.300     . 2.500 2.538 2.476 2.592 0.092 22 0 "[    .    1    .    2    .]" 5 
       60 1 71 ASP O 1 75 ALA N 3.300 2.500 3.500 3.245 3.108 3.342     .  0 0 "[    .    1    .    2    .]" 5 
       61 1 72 ALA O 1 76 LEU H 2.300     . 2.500 2.255 2.202 2.343     .  0 0 "[    .    1    .    2    .]" 5 
       62 1 72 ALA O 1 76 LEU N 3.300 2.500 3.500 3.224 3.160 3.319     .  0 0 "[    .    1    .    2    .]" 5 
       63 1 73 LEU O 1 77 GLU H 2.300     . 2.500 2.312 2.228 2.386     .  0 0 "[    .    1    .    2    .]" 5 
       64 1 73 LEU O 1 77 GLU N 3.300 2.500 3.500 3.139 3.000 3.256     .  0 0 "[    .    1    .    2    .]" 5 
       65 1 74 ASN O 1 78 GLU H 2.300     . 2.500 2.227 2.210 2.264     .  0 0 "[    .    1    .    2    .]" 5 
       66 1 74 ASN O 1 78 GLU N 3.300 2.500 3.500 3.191 3.084 3.231     .  0 0 "[    .    1    .    2    .]" 5 
       67 1 75 ALA O 1 79 THR H 2.300     . 2.500 2.493 2.332 2.543 0.043 15 0 "[    .    1    .    2    .]" 5 
       68 1 75 ALA O 1 79 THR N 3.300 2.500 3.500 3.361 3.263 3.452     .  0 0 "[    .    1    .    2    .]" 5 
       69 1 76 LEU O 1 80 MET H 2.300     . 2.500 2.219 2.199 2.238     .  0 0 "[    .    1    .    2    .]" 5 
       70 1 76 LEU O 1 80 MET N 3.300 2.500 3.500 3.050 2.991 3.137     .  0 0 "[    .    1    .    2    .]" 5 
       71 1 77 GLU O 1 81 LYS H 2.300     . 2.500 2.374 2.244 2.506 0.006 21 0 "[    .    1    .    2    .]" 5 
       72 1 77 GLU O 1 81 LYS N 3.300 2.500 3.500 3.215 3.081 3.351     .  0 0 "[    .    1    .    2    .]" 5 
    stop_

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