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
468275 1a1t cing 4-filtered-FRED Wattos check violation distance


data_1a1t


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              95
    _Distance_constraint_stats_list.Viol_count                    246
    _Distance_constraint_stats_list.Viol_total                    142.896
    _Distance_constraint_stats_list.Viol_max                      0.093
    _Distance_constraint_stats_list.Viol_rms                      0.0091
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0024
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0232
    _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

       2 12 THR 0.820 0.059  8 0 "[    .    1    .    2    .]" 
       2 13 VAL 1.127 0.059  8 0 "[    .    1    .    2    .]" 
       2 14 LYS 0.307 0.026 13 0 "[    .    1    .    2    .]" 
       2 15 CYS 0.146 0.047 17 0 "[    .    1    .    2    .]" 
       2 16 PHE 0.369 0.064 17 0 "[    .    1    .    2    .]" 
       2 17 ASN 1.176 0.064 17 0 "[    .    1    .    2    .]" 
       2 18 CYS 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 19 GLY 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 20 LYS 0.627 0.070 15 0 "[    .    1    .    2    .]" 
       2 21 GLU 0.553 0.070 15 0 "[    .    1    .    2    .]" 
       2 22 GLY 0.011 0.011 17 0 "[    .    1    .    2    .]" 
       2 23 HIS 1.330 0.050  3 0 "[    .    1    .    2    .]" 
       2 24 ILE 0.446 0.050  3 0 "[    .    1    .    2    .]" 
       2 25 ALA 0.013 0.009  6 0 "[    .    1    .    2    .]" 
       2 26 LYS 0.527 0.043  8 0 "[    .    1    .    2    .]" 
       2 27 ASN 0.538 0.043  8 0 "[    .    1    .    2    .]" 
       2 28 CYS 0.762 0.042  2 0 "[    .    1    .    2    .]" 
       2 29 ARG 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 30 ALA 0.930 0.093  2 0 "[    .    1    .    2    .]" 
       2 31 PRO 0.930 0.093  2 0 "[    .    1    .    2    .]" 
       2 32 ARG 0.168 0.043 11 0 "[    .    1    .    2    .]" 
       2 33 LYS 0.056 0.009 18 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 2 16 PHE H    2 17 ASN H    . . 2.700 2.707 2.657 2.764 0.064 17 0 "[    .    1    .    2    .]" 1 
        2 2 17 ASN H    2 18 CYS H    . . 2.700 2.373 2.009 2.590     .  0 0 "[    .    1    .    2    .]" 1 
        3 2 18 CYS H    2 19 GLY H    . . 2.700 2.197 1.901 2.366     .  0 0 "[    .    1    .    2    .]" 1 
        4 2 19 GLY H    2 20 LYS H    . . 2.700 2.039 1.975 2.473     .  0 0 "[    .    1    .    2    .]" 1 
        5 2 22 GLY H    2 23 HIS H    . . 2.700 2.123 1.824 2.711 0.011 17 0 "[    .    1    .    2    .]" 1 
        6 2 25 ALA H    2 26 LYS H    . . 3.300 2.815 2.796 2.844     .  0 0 "[    .    1    .    2    .]" 1 
        7 2 26 LYS H    2 27 ASN H    . . 2.700 2.721 2.696 2.743 0.043  8 0 "[    .    1    .    2    .]" 1 
        8 2 27 ASN H    2 28 CYS H    . . 2.700 2.517 2.398 2.651     .  0 0 "[    .    1    .    2    .]" 1 
        9 2 29 ARG H    2 30 ALA H    . . 2.700 2.445 2.330 2.555     .  0 0 "[    .    1    .    2    .]" 1 
       10 2 12 THR HA   2 13 VAL H    . . 2.700 2.733 2.709 2.759 0.059  8 0 "[    .    1    .    2    .]" 1 
       11 2 13 VAL HA   2 14 LYS H    . . 2.700 2.375 2.368 2.391     .  0 0 "[    .    1    .    2    .]" 1 
       12 2 14 LYS HA   2 15 CYS H    . . 2.700 2.245 2.190 2.285     .  0 0 "[    .    1    .    2    .]" 1 
       13 2 15 CYS HA   2 16 PHE H    . . 2.700 2.223 2.220 2.228     .  0 0 "[    .    1    .    2    .]" 1 
       14 2 19 GLY H    2 19 GLY HA2  . . 2.700 2.377 2.357 2.400     .  0 0 "[    .    1    .    2    .]" 1 
       15 2 20 LYS HA   2 21 GLU H    . . 2.700 2.472 2.233 2.770 0.070 15 0 "[    .    1    .    2    .]" 1 
       16 2 21 GLU HA   2 22 GLY H    . . 2.700 2.260 2.202 2.332     .  0 0 "[    .    1    .    2    .]" 1 
       17 2 23 HIS HA   2 24 ILE H    . . 2.700 2.421 2.402 2.456     .  0 0 "[    .    1    .    2    .]" 1 
       18 2 24 ILE HA   2 25 ALA H    . . 2.700 2.430 2.402 2.481     .  0 0 "[    .    1    .    2    .]" 1 
       19 2 28 CYS HA   2 29 ARG H    . . 2.700 2.268 2.232 2.337     .  0 0 "[    .    1    .    2    .]" 1 
       20 2 30 ALA HA   2 31 PRO HD2  . . 2.700 2.735 2.652 2.793 0.093  2 0 "[    .    1    .    2    .]" 1 
       21 2 30 ALA HA   2 31 PRO HD3  . . 2.700 2.009 1.968 2.042     .  0 0 "[    .    1    .    2    .]" 1 
       22 2 13 VAL HB   2 14 LYS H    . . 2.700 2.709 2.667 2.726 0.026 13 0 "[    .    1    .    2    .]" 1 
       23 2 13 VAL HB   2 24 ILE MG   . . 3.800 2.259 1.956 2.637     .  0 0 "[    .    1    .    2    .]" 1 
       24 2 13 VAL MG2  2 22 GLY HA2  . . 5.000 4.038 3.936 4.110     .  0 0 "[    .    1    .    2    .]" 1 
       25 2 13 VAL MG2  2 22 GLY H    . . 5.500 3.339 3.145 3.516     .  0 0 "[    .    1    .    2    .]" 1 
       26 2 13 VAL MG2  2 23 HIS H    . . 5.500 3.361 2.940 3.958     .  0 0 "[    .    1    .    2    .]" 1 
       27 2 13 VAL H    2 22 GLY H    . . 5.000 4.400 3.960 4.648     .  0 0 "[    .    1    .    2    .]" 1 
       28 2 14 LYS HA   2 21 GLU HA   . . 2.700 1.970 1.910 2.060     .  0 0 "[    .    1    .    2    .]" 1 
       29 2 14 LYS HA   2 22 GLY H    . . 5.000 3.320 3.064 3.607     .  0 0 "[    .    1    .    2    .]" 1 
       30 2 15 CYS HA   2 15 CYS HB2  . . 2.700 2.466 2.460 2.473     .  0 0 "[    .    1    .    2    .]" 1 
       31 2 15 CYS H    2 15 CYS HB3  . . 2.700 2.479 2.464 2.509     .  0 0 "[    .    1    .    2    .]" 1 
       32 2 15 CYS H    2 15 CYS HB2  . . 2.700 2.596 2.489 2.662     .  0 0 "[    .    1    .    2    .]" 1 
       33 2 15 CYS HA   2 24 ILE HA   . . 3.300 2.084 1.971 2.314     .  0 0 "[    .    1    .    2    .]" 1 
       34 2 15 CYS H    2 21 GLU HA   . . 3.300 3.067 2.885 3.192     .  0 0 "[    .    1    .    2    .]" 1 
       35 2 15 CYS HB3  2 19 GLY H    . . 3.300 2.279 1.976 2.372     .  0 0 "[    .    1    .    2    .]" 1 
       36 2 15 CYS HB3  2 20 LYS H    . . 2.700 1.945 1.889 2.747 0.047 17 0 "[    .    1    .    2    .]" 1 
       37 2 15 CYS HB3  2 18 CYS H    . . 3.300 3.030 2.744 3.200     .  0 0 "[    .    1    .    2    .]" 1 
       38 2 15 CYS HB2  2 23 HIS HD2  . . 3.300 3.298 3.259 3.316 0.016 17 0 "[    .    1    .    2    .]" 1 
       39 2 15 CYS HA   2 25 ALA H    . . 5.000 2.814 2.622 2.993     .  0 0 "[    .    1    .    2    .]" 1 
       40 2 16 PHE HB2  2 25 ALA MB   . . 3.800 2.767 2.439 2.935     .  0 0 "[    .    1    .    2    .]" 1 
       41 2 16 PHE H    2 25 ALA MB   . . 5.500 2.896 2.545 3.179     .  0 0 "[    .    1    .    2    .]" 1 
       42 2 16 PHE HA   2 19 GLY H    . . 5.000 4.323 4.212 4.403     .  0 0 "[    .    1    .    2    .]" 1 
       43 2 17 ASN HA   2 17 ASN HB2  . . 2.700 2.651 2.630 2.668     .  0 0 "[    .    1    .    2    .]" 1 
       44 2 17 ASN H    2 17 ASN HB3  . . 2.700 2.722 2.686 2.744 0.044  3 0 "[    .    1    .    2    .]" 1 
       45 2 17 ASN H    2 17 ASN HB2  . . 2.700 2.507 2.392 2.707 0.007 17 0 "[    .    1    .    2    .]" 1 
       46 2 17 ASN H    2 25 ALA MB   . . 3.800 2.817 2.747 2.962     .  0 0 "[    .    1    .    2    .]" 1 
       47 2 17 ASN HB2  2 25 ALA MB   . . 3.200 2.002 1.928 2.128     .  0 0 "[    .    1    .    2    .]" 1 
       48 2 17 ASN HB3  2 17 ASN HD21 . . 2.700 2.222 2.137 2.276     .  0 0 "[    .    1    .    2    .]" 1 
       49 2 17 ASN HD22 2 30 ALA MB   . . 3.200 2.361 2.098 2.503     .  0 0 "[    .    1    .    2    .]" 1 
       50 2 17 ASN HD21 2 30 ALA MB   . . 5.500 1.998 1.910 2.309     .  0 0 "[    .    1    .    2    .]" 1 
       51 2 17 ASN HD21 2 28 CYS HB3  . . 5.000 2.957 2.764 3.243     .  0 0 "[    .    1    .    2    .]" 1 
       52 2 17 ASN HD22 2 33 LYS H    . . 3.300 3.280 3.124 3.309 0.009 18 0 "[    .    1    .    2    .]" 1 
       53 2 17 ASN HD22 2 32 ARG HA   . . 3.300 3.286 3.102 3.343 0.043 11 0 "[    .    1    .    2    .]" 1 
       54 2 17 ASN HB3  2 18 CYS H    . . 2.700 2.118 1.898 2.474     .  0 0 "[    .    1    .    2    .]" 1 
       55 2 18 CYS H    2 18 CYS HB3  . . 3.300 2.852 2.730 3.101     .  0 0 "[    .    1    .    2    .]" 1 
       56 2 18 CYS HB2  2 20 LYS H    . . 5.000 4.145 3.192 4.269     .  0 0 "[    .    1    .    2    .]" 1 
       57 2 18 CYS HA   2 18 CYS HB2  . . 2.700 2.476 2.462 2.498     .  0 0 "[    .    1    .    2    .]" 1 
       58 2 18 CYS HA   2 18 CYS HB3  . . 2.700 2.418 2.398 2.431     .  0 0 "[    .    1    .    2    .]" 1 
       59 2 18 CYS HB2  2 30 ALA MB   . . 5.500 4.606 4.464 4.645     .  0 0 "[    .    1    .    2    .]" 1 
       60 2 18 CYS HB3  2 30 ALA MB   . . 5.500 3.276 3.157 3.320     .  0 0 "[    .    1    .    2    .]" 1 
       61 2 20 LYS H    2 20 LYS HB2  . . 2.700 2.340 2.032 2.429     .  0 0 "[    .    1    .    2    .]" 1 
       62 2 20 LYS HB2  2 23 HIS HE1  . . 3.300 2.896 1.992 3.309 0.009 21 0 "[    .    1    .    2    .]" 1 
       63 2 20 LYS HB3  2 23 HIS HE1  . . 3.300 3.122 2.325 3.307 0.007  2 0 "[    .    1    .    2    .]" 1 
       64 2 23 HIS HB2  2 23 HIS HD2  . . 3.300 2.844 2.813 2.905     .  0 0 "[    .    1    .    2    .]" 1 
       65 2 23 HIS HB2  2 24 ILE H    . . 2.700 2.712 2.616 2.750 0.050  3 0 "[    .    1    .    2    .]" 1 
       66 2 23 HIS HD2  2 25 ALA HA   . . 5.000 3.780 3.637 3.889     .  0 0 "[    .    1    .    2    .]" 1 
       67 2 23 HIS HD2  2 28 CYS HA   . . 3.300 2.207 2.053 2.358     .  0 0 "[    .    1    .    2    .]" 1 
       68 2 23 HIS HD2  2 28 CYS HB2  . . 3.300 2.188 2.087 2.455     .  0 0 "[    .    1    .    2    .]" 1 
       69 2 23 HIS HD2  2 28 CYS H    . . 3.300 3.330 3.306 3.342 0.042  2 0 "[    .    1    .    2    .]" 1 
       70 2 23 HIS HD2  2 27 ASN H    . . 5.000 4.060 3.949 4.201     .  0 0 "[    .    1    .    2    .]" 1 
       71 2 23 HIS HD2  2 27 ASN HB2  . . 5.000 3.716 3.321 3.898     .  0 0 "[    .    1    .    2    .]" 1 
       72 2 23 HIS HD2  2 27 ASN HB3  . . 5.000 4.509 4.247 4.805     .  0 0 "[    .    1    .    2    .]" 1 
       73 2 23 HIS HB2  2 27 ASN HB3  . . 3.300 3.148 2.934 3.309 0.009  9 0 "[    .    1    .    2    .]" 1 
       74 2 24 ILE HB   2 24 ILE MD   . . 3.200 2.331 2.172 2.367     .  0 0 "[    .    1    .    2    .]" 1 
       75 2 24 ILE H    2 24 ILE MG   . . 3.200 2.573 2.393 2.646     .  0 0 "[    .    1    .    2    .]" 1 
       76 2 24 ILE H    2 27 ASN HB2  . . 5.000 2.210 1.978 2.355     .  0 0 "[    .    1    .    2    .]" 1 
       77 2 24 ILE H    2 27 ASN HD21 . . 5.000 3.197 2.270 3.724     .  0 0 "[    .    1    .    2    .]" 1 
       78 2 24 ILE QG   2 26 LYS H    . . 3.200 1.870 1.820 1.912     .  0 0 "[    .    1    .    2    .]" 1 
       79 2 24 ILE MD   2 26 LYS HB2  . . 3.300 1.958 1.869 2.070     .  0 0 "[    .    1    .    2    .]" 1 
       80 2 24 ILE MD   2 26 LYS HG3  . . 3.300 1.983 1.772 2.131     .  0 0 "[    .    1    .    2    .]" 1 
       81 2 24 ILE MD   2 26 LYS QE   . . 4.600 3.341 3.186 3.388     .  0 0 "[    .    1    .    2    .]" 1 
       82 2 24 ILE HB   2 25 ALA H    . . 2.700 2.621 2.502 2.709 0.009  6 0 "[    .    1    .    2    .]" 1 
       83 2 24 ILE QG   2 27 ASN HD21 . . 3.500 1.956 1.865 2.563     .  0 0 "[    .    1    .    2    .]" 1 
       84 2 24 ILE QG   2 27 ASN HD22 . . 3.500 2.968 2.648 3.095     .  0 0 "[    .    1    .    2    .]" 1 
       85 2 25 ALA HA   2 28 CYS HB2  . . 2.700 1.917 1.889 1.937     .  0 0 "[    .    1    .    2    .]" 1 
       86 2 25 ALA HA   2 28 CYS H    . . 3.300 3.153 3.028 3.304 0.004  8 0 "[    .    1    .    2    .]" 1 
       87 2 25 ALA MB   2 26 LYS H    . . 3.800 2.709 2.616 2.774     .  0 0 "[    .    1    .    2    .]" 1 
       88 2 26 LYS HB2  2 27 ASN H    . . 3.300 2.664 2.599 2.732     .  0 0 "[    .    1    .    2    .]" 1 
       89 2 26 LYS H    2 26 LYS HB2  . . 3.300 2.559 2.442 2.697     .  0 0 "[    .    1    .    2    .]" 1 
       90 2 26 LYS HA   2 26 LYS HB3  . . 2.700 2.433 2.370 2.492     .  0 0 "[    .    1    .    2    .]" 1 
       91 2 27 ASN H    2 27 ASN HB2  . . 2.700 2.359 2.283 2.556     .  0 0 "[    .    1    .    2    .]" 1 
       92 2 28 CYS H    2 28 CYS HB2  . . 2.700 2.659 2.570 2.706 0.006 23 0 "[    .    1    .    2    .]" 1 
       93 2 28 CYS H    2 28 CYS HB3  . . 2.700 2.480 2.437 2.536     .  0 0 "[    .    1    .    2    .]" 1 
       94 2 28 CYS HA   2 28 CYS HB2  . . 2.700 2.468 2.444 2.500     .  0 0 "[    .    1    .    2    .]" 1 
       95 2 31 PRO HA   2 32 ARG H    . . 2.700 2.299 2.231 2.344     .  0 0 "[    .    1    .    2    .]" 1 
    stop_

save_


save_distance_constraint_statistics_2
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            2
    _Distance_constraint_stats_list.Constraint_count              18
    _Distance_constraint_stats_list.Viol_count                    61
    _Distance_constraint_stats_list.Viol_total                    49.568
    _Distance_constraint_stats_list.Viol_max                      0.076
    _Distance_constraint_stats_list.Viol_rms                      0.0135
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0044
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0325
    _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

       2 13 VAL 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 14 LYS 0.198 0.041 13 0 "[    .    1    .    2    .]" 
       2 16 PHE 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 17 ASN 1.243 0.076 15 0 "[    .    1    .    2    .]" 
       2 18 CYS 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 19 GLY 0.542 0.064 15 0 "[    .    1    .    2    .]" 
       2 21 GLU 0.198 0.041 13 0 "[    .    1    .    2    .]" 
       2 23 HIS 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 24 ILE 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 26 LYS 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 37 TRP 1.785 0.076 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 2 13 VAL MG2 2 23 HIS HA  . . 3.800 3.048 2.721 3.239     .  0 0 "[    .    1    .    2    .]" 2 
        2 2 14 LYS HA  2 21 GLU HG2 . . 3.300 3.290 3.183 3.341 0.041 13 0 "[    .    1    .    2    .]" 2 
        3 2 14 LYS QD  2 16 PHE QR  . . 8.100 3.091 2.087 4.970     .  0 0 "[    .    1    .    2    .]" 2 
        4 2 14 LYS QG  2 16 PHE QR  . . 8.100 3.212 2.694 4.345     .  0 0 "[    .    1    .    2    .]" 2 
        5 2 14 LYS QD  2 37 TRP HZ3 . . 5.800 4.117 2.879 5.218     .  0 0 "[    .    1    .    2    .]" 2 
        6 2 14 LYS QG  2 37 TRP HZ3 . . 5.800 4.323 3.324 5.184     .  0 0 "[    .    1    .    2    .]" 2 
        7 2 14 LYS QE  2 37 TRP HZ3 . . 4.100 2.591 1.983 3.374     .  0 0 "[    .    1    .    2    .]" 2 
        8 2 14 LYS QE  2 16 PHE QR  . . 6.400 2.766 1.963 3.730     .  0 0 "[    .    1    .    2    .]" 2 
        9 2 16 PHE HA  2 37 TRP HZ2 . . 3.300 2.109 1.972 2.427     .  0 0 "[    .    1    .    2    .]" 2 
       10 2 16 PHE HD1 2 37 TRP HZ2 . . 2.700 2.326 2.070 2.618     .  0 0 "[    .    1    .    2    .]" 2 
       11 2 17 ASN HA  2 37 TRP HE1 . . 5.000 3.250 3.071 3.428     .  0 0 "[    .    1    .    2    .]" 2 
       12 2 17 ASN HA  2 37 TRP HD1 . . 5.000 5.050 5.026 5.076 0.076 15 0 "[    .    1    .    2    .]" 2 
       13 2 18 CYS HA  2 37 TRP HD1 . . 5.000 3.198 2.955 3.470     .  0 0 "[    .    1    .    2    .]" 2 
       14 2 19 GLY HA2 2 37 TRP HD1 . . 5.000 4.680 4.437 4.996     .  0 0 "[    .    1    .    2    .]" 2 
       15 2 19 GLY HA3 2 37 TRP HD1 . . 5.000 3.752 3.535 4.216     .  0 0 "[    .    1    .    2    .]" 2 
       16 2 19 GLY HA3 2 37 TRP HE3 . . 3.300 3.313 3.168 3.364 0.064 15 0 "[    .    1    .    2    .]" 2 
       17 2 19 GLY HA2 2 37 TRP HE3 . . 5.000 3.860 3.694 4.011     .  0 0 "[    .    1    .    2    .]" 2 
       18 2 24 ILE MD  2 26 LYS HG2 . . 3.800 2.881 2.716 3.137     .  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              20
    _Distance_constraint_stats_list.Viol_count                    72
    _Distance_constraint_stats_list.Viol_total                    4.358
    _Distance_constraint_stats_list.Viol_max                      0.012
    _Distance_constraint_stats_list.Viol_rms                      0.0013
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0003
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0024
    _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 G 0.005 0.003  2 0 "[    .    1    .    2    .]" 
       1  2 G 0.000 0.000  3 0 "[    .    1    .    2    .]" 
       1  3 A 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1  4 C 0.003 0.003  2 0 "[    .    1    .    2    .]" 
       1  5 U 0.004 0.001 16 0 "[    .    1    .    2    .]" 
       1  6 A 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1  7 G 0.003 0.003 11 0 "[    .    1    .    2    .]" 
       1  8 C 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1  9 G 0.006 0.004 20 0 "[    .    1    .    2    .]" 
       1 10 G 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 11 A 0.110 0.012 13 0 "[    .    1    .    2    .]" 
       1 12 G 0.002 0.002 12 0 "[    .    1    .    2    .]" 
       1 13 G 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 14 C 0.029 0.004 20 0 "[    .    1    .    2    .]" 
       1 15 U 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 16 A 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 17 G 0.006 0.002 25 0 "[    .    1    .    2    .]" 
       1 18 U 0.003 0.001 22 0 "[    .    1    .    2    .]" 
       1 19 C 0.001 0.001 17 0 "[    .    1    .    2    .]" 
       1 20 C 0.002 0.000 10 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 G C4' 1  1 G O4' . . 1.400 1.379 1.258 1.403 0.003  2 0 "[    .    1    .    2    .]" 3 
        2 1  2 G C4' 1  2 G O4' . . 1.400 1.368 1.261 1.400 0.000  3 0 "[    .    1    .    2    .]" 3 
        3 1  3 A C4' 1  3 A O4' . . 1.400 1.320 1.228 1.373     .  0 0 "[    .    1    .    2    .]" 3 
        4 1  4 C C4' 1  4 C O4' . . 1.400 1.280 1.079 1.403 0.003  2 0 "[    .    1    .    2    .]" 3 
        5 1  5 U C4' 1  5 U O4' . . 1.400 1.303 1.089 1.401 0.001 16 0 "[    .    1    .    2    .]" 3 
        6 1  6 A C4' 1  6 A O4' . . 1.400 1.225 1.138 1.304     .  0 0 "[    .    1    .    2    .]" 3 
        7 1  7 G C4' 1  7 G O4' . . 1.400 1.322 1.201 1.403 0.003 11 0 "[    .    1    .    2    .]" 3 
        8 1  8 C C4' 1  8 C O4' . . 1.400 1.211 1.073 1.396     .  0 0 "[    .    1    .    2    .]" 3 
        9 1  9 G C4' 1  9 G O4' . . 1.400 1.304 1.107 1.404 0.004 20 0 "[    .    1    .    2    .]" 3 
       10 1 10 G C4' 1 10 G O4' . . 1.400 1.255 1.072 1.382     .  0 0 "[    .    1    .    2    .]" 3 
       11 1 11 A C4' 1 11 A O4' . . 1.400 1.396 1.288 1.412 0.012 13 0 "[    .    1    .    2    .]" 3 
       12 1 12 G C4' 1 12 G O4' . . 1.400 1.189 1.075 1.402 0.002 12 0 "[    .    1    .    2    .]" 3 
       13 1 13 G C4' 1 13 G O4' . . 1.400 1.257 1.197 1.339     .  0 0 "[    .    1    .    2    .]" 3 
       14 1 14 C C4' 1 14 C O4' . . 1.400 1.383 1.314 1.404 0.004 20 0 "[    .    1    .    2    .]" 3 
       15 1 15 U C4' 1 15 U O4' . . 1.400 1.154 1.083 1.235     .  0 0 "[    .    1    .    2    .]" 3 
       16 1 16 A C4' 1 16 A O4' . . 1.400 1.295 1.207 1.386     .  0 0 "[    .    1    .    2    .]" 3 
       17 1 17 G C4' 1 17 G O4' . . 1.400 1.379 1.305 1.402 0.002 25 0 "[    .    1    .    2    .]" 3 
       18 1 18 U C4' 1 18 U O4' . . 1.400 1.335 1.151 1.401 0.001 22 0 "[    .    1    .    2    .]" 3 
       19 1 19 C C4' 1 19 C O4' . . 1.400 1.347 1.263 1.401 0.001 17 0 "[    .    1    .    2    .]" 3 
       20 1 20 C C4' 1 20 C O4' . . 1.400 1.379 1.189 1.400 0.000 10 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              50
    _Distance_constraint_stats_list.Viol_count                    137
    _Distance_constraint_stats_list.Viol_total                    107.025
    _Distance_constraint_stats_list.Viol_max                      0.137
    _Distance_constraint_stats_list.Viol_rms                      0.0149
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0034
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0312
    _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

       2  3 LYS 0.109 0.040 22 0 "[    .    1    .    2    .]" 
       2  4 GLY 0.171 0.040 22 0 "[    .    1    .    2    .]" 
       2  5 ASN 0.065 0.027 22 0 "[    .    1    .    2    .]" 
       2  6 PHE 0.385 0.049 13 0 "[    .    1    .    2    .]" 
       2  7 ARG 0.596 0.053 13 0 "[    .    1    .    2    .]" 
       2  8 ASN 2.080 0.119 17 0 "[    .    1    .    2    .]" 
       2  9 GLN 0.287 0.047 10 0 "[    .    1    .    2    .]" 
       2 10 ARG 0.386 0.048  8 0 "[    .    1    .    2    .]" 
       2 11 LYS 0.971 0.137  4 0 "[    .    1    .    2    .]" 
       2 12 THR 1.193 0.137  4 0 "[    .    1    .    2    .]" 
       2 13 VAL 1.846 0.119 17 0 "[    .    1    .    2    .]" 
       2 14 LYS 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 21 GLU 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 22 GLY 0.010 0.010 20 0 "[    .    1    .    2    .]" 
       2 24 ILE 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 2  3 LYS H    2  4 GLY H   . . 2.700 2.704 2.692 2.740 0.040 22 0 "[    .    1    .    2    .]" 4 
        2 2  4 GLY H    2  5 ASN H   . . 2.700 2.699 2.673 2.727 0.027 22 0 "[    .    1    .    2    .]" 4 
        3 2  5 ASN H    2  6 PHE H   . . 2.700 2.663 2.640 2.702 0.002 22 0 "[    .    1    .    2    .]" 4 
        4 2  6 PHE H    2  7 ARG H   . . 2.700 2.714 2.679 2.749 0.049 13 0 "[    .    1    .    2    .]" 4 
        5 2  7 ARG H    2  8 ASN H   . . 2.700 2.705 2.683 2.753 0.053 13 0 "[    .    1    .    2    .]" 4 
        6 2  8 ASN H    2  9 GLN H   . . 2.700 2.692 2.674 2.715 0.015 22 0 "[    .    1    .    2    .]" 4 
        7 2  9 GLN H    2 10 ARG H   . . 2.700 2.703 2.679 2.734 0.034 18 0 "[    .    1    .    2    .]" 4 
        8 2 10 ARG H    2 11 LYS H   . . 2.700 2.657 2.549 2.748 0.048  8 0 "[    .    1    .    2    .]" 4 
        9 2 11 LYS H    2 12 THR H   . . 2.700 2.684 2.447 2.837 0.137  4 0 "[    .    1    .    2    .]" 4 
       10 2  4 GLY HA2  2  6 PHE H   . . 5.000 3.443 3.322 3.708     .  0 0 "[    .    1    .    2    .]" 4 
       11 2  5 ASN HA   2  7 ARG H   . . 5.000 3.376 3.277 3.566     .  0 0 "[    .    1    .    2    .]" 4 
       12 2  6 PHE HA   2  8 ASN H   . . 5.000 3.219 3.141 3.312     .  0 0 "[    .    1    .    2    .]" 4 
       13 2  7 ARG HA   2  9 GLN H   . . 5.000 3.425 3.209 3.829     .  0 0 "[    .    1    .    2    .]" 4 
       14 2  8 ASN HA   2 10 ARG H   . . 5.000 3.342 3.245 3.507     .  0 0 "[    .    1    .    2    .]" 4 
       15 2  3 LYS HA   2  4 GLY H   . . 2.700 2.560 2.468 2.681     .  0 0 "[    .    1    .    2    .]" 4 
       16 2  6 PHE HA   2  9 GLN QG  . . 5.800 3.951 3.467 5.050     .  0 0 "[    .    1    .    2    .]" 4 
       17 2  6 PHE QR   2 24 ILE MG  . . 7.800 4.414 3.197 5.147     .  0 0 "[    .    1    .    2    .]" 4 
       18 2  6 PHE QR   2  8 ASN QB  . . 8.100 5.671 5.056 5.858     .  0 0 "[    .    1    .    2    .]" 4 
       19 2  8 ASN QB   2  9 GLN QG  . . 6.600 4.446 3.970 4.872     .  0 0 "[    .    1    .    2    .]" 4 
       20 2  8 ASN HA   2 13 VAL MG1 . . 5.500 3.412 3.281 3.632     .  0 0 "[    .    1    .    2    .]" 4 
       21 2  8 ASN QB   2 24 ILE MG  . . 6.300 3.961 3.173 4.226     .  0 0 "[    .    1    .    2    .]" 4 
       22 2  8 ASN QB   2 13 VAL MG2 . . 6.300 3.664 3.344 3.813     .  0 0 "[    .    1    .    2    .]" 4 
       23 2  8 ASN HD21 2 13 VAL MG1 . . 3.800 1.812 1.760 2.407     .  0 0 "[    .    1    .    2    .]" 4 
       24 2  8 ASN HD22 2 13 VAL MG1 . . 3.800 2.652 1.817 2.729     .  0 0 "[    .    1    .    2    .]" 4 
       25 2  8 ASN HD21 2 13 VAL MG2 . . 3.800 2.940 2.558 2.988     .  0 0 "[    .    1    .    2    .]" 4 
       26 2  8 ASN HD22 2 13 VAL MG2 . . 3.800 2.440 2.188 3.100     .  0 0 "[    .    1    .    2    .]" 4 
       27 2  8 ASN HD21 2 24 ILE MG  . . 5.500 2.522 1.878 2.917     .  0 0 "[    .    1    .    2    .]" 4 
       28 2  8 ASN HD22 2 24 ILE MG  . . 5.500 1.767 1.705 2.761     .  0 0 "[    .    1    .    2    .]" 4 
       29 2  8 ASN HD21 2 13 VAL HB  . . 3.300 2.949 2.835 3.419 0.119 17 0 "[    .    1    .    2    .]" 4 
       30 2  8 ASN HD22 2 13 VAL HB  . . 3.300 3.342 2.626 3.402 0.102 15 0 "[    .    1    .    2    .]" 4 
       31 2  9 GLN HA   2  9 GLN HB3 . . 2.700 2.606 2.521 2.747 0.047 10 0 "[    .    1    .    2    .]" 4 
       32 2  9 GLN HA   2 13 VAL MG1 . . 5.500 2.682 2.328 2.898     .  0 0 "[    .    1    .    2    .]" 4 
       33 2  9 GLN HA   2 13 VAL MG2 . . 5.500 1.929 1.886 1.999     .  0 0 "[    .    1    .    2    .]" 4 
       34 2  9 GLN QG   2 24 ILE MG  . . 6.300 2.912 2.335 3.385     .  0 0 "[    .    1    .    2    .]" 4 
       35 2  9 GLN QG   2 13 VAL MG2 . . 4.600 2.065 1.769 2.748     .  0 0 "[    .    1    .    2    .]" 4 
       36 2  9 GLN H    2 13 VAL MG1 . . 5.500 3.361 3.048 3.563     .  0 0 "[    .    1    .    2    .]" 4 
       37 2 10 ARG H    2 13 VAL MG1 . . 5.500 4.160 4.025 4.425     .  0 0 "[    .    1    .    2    .]" 4 
       38 2 10 ARG QG   2 13 VAL MG1 . . 6.300 4.391 4.196 4.560     .  0 0 "[    .    1    .    2    .]" 4 
       39 2 11 LYS H    2 13 VAL MG1 . . 5.500 3.291 2.930 3.906     .  0 0 "[    .    1    .    2    .]" 4 
       40 2 11 LYS H    2 13 VAL MG2 . . 5.500 4.178 3.890 4.424     .  0 0 "[    .    1    .    2    .]" 4 
       41 2 12 THR H    2 12 THR HA  . . 2.700 2.385 2.229 2.770 0.070  4 0 "[    .    1    .    2    .]" 4 
       42 2 12 THR MG   2 22 GLY H   . . 5.500 4.406 4.162 4.495     .  0 0 "[    .    1    .    2    .]" 4 
       43 2 12 THR H    2 13 VAL MG1 . . 5.500 4.065 3.127 4.428     .  0 0 "[    .    1    .    2    .]" 4 
       44 2 12 THR H    2 13 VAL MG2 . . 5.500 4.186 3.778 4.372     .  0 0 "[    .    1    .    2    .]" 4 
       45 2 12 THR HA   2 22 GLY HA2 . . 5.000 3.078 2.694 3.369     .  0 0 "[    .    1    .    2    .]" 4 
       46 2 12 THR HA   2 22 GLY HA3 . . 5.000 4.742 4.354 5.010 0.010 20 0 "[    .    1    .    2    .]" 4 
       47 2 12 THR MG   2 14 LYS QB  . . 6.300 4.438 4.370 4.573     .  0 0 "[    .    1    .    2    .]" 4 
       48 2 11 LYS QG   2 12 THR MG  . . 4.600 3.123 2.499 3.286     .  0 0 "[    .    1    .    2    .]" 4 
       49 2 12 THR MG   2 21 GLU QB  . . 4.600 2.742 2.301 2.887     .  0 0 "[    .    1    .    2    .]" 4 
       50 2 12 THR MG   2 21 GLU HG2 . . 3.200 2.370 2.264 2.473     .  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              75
    _Distance_constraint_stats_list.Viol_count                    313
    _Distance_constraint_stats_list.Viol_total                    228.312
    _Distance_constraint_stats_list.Viol_max                      0.138
    _Distance_constraint_stats_list.Viol_rms                      0.0153
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0049
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0292
    _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

       2 32 ARG 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 33 LYS 0.173 0.027 16 0 "[    .    1    .    2    .]" 
       2 34 LYS 0.752 0.043 23 0 "[    .    1    .    2    .]" 
       2 35 GLY 2.380 0.138  2 0 "[    .    1    .    2    .]" 
       2 36 CYS 0.333 0.047 15 0 "[    .    1    .    2    .]" 
       2 37 TRP 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 38 LYS 1.609 0.061 22 0 "[    .    1    .    2    .]" 
       2 39 CYS 0.665 0.039 15 0 "[    .    1    .    2    .]" 
       2 40 GLY 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 41 LYS 2.421 0.109 15 0 "[    .    1    .    2    .]" 
       2 42 GLU 1.950 0.138  2 0 "[    .    1    .    2    .]" 
       2 43 GLY 0.536 0.036  2 0 "[    .    1    .    2    .]" 
       2 44 HIS 2.983 0.109 15 0 "[    .    1    .    2    .]" 
       2 45 GLN 0.093 0.017  2 0 "[    .    1    .    2    .]" 
       2 46 MET 0.063 0.016 17 0 "[    .    1    .    2    .]" 
       2 47 LYS 0.442 0.035 22 0 "[    .    1    .    2    .]" 
       2 48 ASP 0.560 0.035 22 0 "[    .    1    .    2    .]" 
       2 49 CYS 0.962 0.127  3 0 "[    .    1    .    2    .]" 
       2 50 THR 0.006 0.006  4 0 "[    .    1    .    2    .]" 
       2 51 GLU 0.861 0.127  3 0 "[    .    1    .    2    .]" 
       2 52 ARG 0.029 0.029  3 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 2 37 TRP H   2 38 LYS H   . . 3.300 3.103 2.996 3.177     .  0 0 "[    .    1    .    2    .]" 5 
        2 2 38 LYS H   2 39 CYS H   . . 2.700 1.950 1.935 1.965     .  0 0 "[    .    1    .    2    .]" 5 
        3 2 39 CYS H   2 40 GLY H   . . 2.700 1.891 1.869 1.911     .  0 0 "[    .    1    .    2    .]" 5 
        4 2 40 GLY H   2 41 LYS H   . . 2.700 2.156 2.127 2.186     .  0 0 "[    .    1    .    2    .]" 5 
        5 2 43 GLY H   2 44 HIS H   . . 2.700 2.721 2.711 2.736 0.036  2 0 "[    .    1    .    2    .]" 5 
        6 2 46 MET H   2 47 LYS H   . . 3.300 2.859 2.809 2.918     .  0 0 "[    .    1    .    2    .]" 5 
        7 2 47 LYS H   2 48 ASP H   . . 2.700 2.718 2.700 2.735 0.035 22 0 "[    .    1    .    2    .]" 5 
        8 2 48 ASP H   2 49 CYS H   . . 2.700 2.683 2.615 2.714 0.014 15 0 "[    .    1    .    2    .]" 5 
        9 2 50 THR H   2 51 GLU H   . . 2.700 2.601 2.540 2.699     .  0 0 "[    .    1    .    2    .]" 5 
       10 2 51 GLU H   2 52 ARG H   . . 3.300 2.911 2.190 3.329 0.029  3 0 "[    .    1    .    2    .]" 5 
       11 2 35 GLY QA  2 36 CYS H   . . 3.500 2.171 2.168 2.180     .  0 0 "[    .    1    .    2    .]" 5 
       12 2 36 CYS HA  2 37 TRP H   . . 2.700 2.222 2.219 2.229     .  0 0 "[    .    1    .    2    .]" 5 
       13 2 41 LYS HA  2 42 GLU H   . . 2.700 2.191 2.178 2.202     .  0 0 "[    .    1    .    2    .]" 5 
       14 2 42 GLU HA  2 43 GLY H   . . 2.700 2.205 2.202 2.212     .  0 0 "[    .    1    .    2    .]" 5 
       15 2 44 HIS HA  2 45 GLN H   . . 2.700 2.639 2.533 2.712 0.012 20 0 "[    .    1    .    2    .]" 5 
       16 2 45 GLN HA  2 46 MET H   . . 2.700 2.461 2.400 2.508     .  0 0 "[    .    1    .    2    .]" 5 
       17 2 49 CYS HA  2 50 THR H   . . 2.700 2.223 2.220 2.226     .  0 0 "[    .    1    .    2    .]" 5 
       18 2 32 ARG HA  2 33 LYS H   . . 2.700 2.239 2.229 2.256     .  0 0 "[    .    1    .    2    .]" 5 
       19 2 33 LYS HA  2 34 LYS H   . . 2.700 2.696 2.623 2.727 0.027 16 0 "[    .    1    .    2    .]" 5 
       20 2 34 LYS HA  2 35 GLY H   . . 2.700 2.677 2.643 2.743 0.043 23 0 "[    .    1    .    2    .]" 5 
       21 2 34 LYS H   2 35 GLY H   . . 2.700 2.720 2.707 2.741 0.041  4 0 "[    .    1    .    2    .]" 5 
       22 2 35 GLY HA2 2 42 GLU HA  . . 3.300 1.851 1.786 1.920     .  0 0 "[    .    1    .    2    .]" 5 
       23 2 35 GLY HA3 2 42 GLU HA  . . 3.300 3.372 3.339 3.438 0.138  2 0 "[    .    1    .    2    .]" 5 
       24 2 35 GLY HA2 2 43 GLY H   . . 5.000 3.333 3.164 3.667     .  0 0 "[    .    1    .    2    .]" 5 
       25 2 36 CYS HA  2 36 CYS HB2 . . 2.700 2.388 2.364 2.417     .  0 0 "[    .    1    .    2    .]" 5 
       26 2 36 CYS HA  2 46 MET H   . . 5.000 3.416 3.266 3.613     .  0 0 "[    .    1    .    2    .]" 5 
       27 2 36 CYS HA  2 45 GLN HA  . . 3.300 3.025 2.836 3.317 0.017  2 0 "[    .    1    .    2    .]" 5 
       28 2 36 CYS H   2 36 CYS HB3 . . 2.700 2.375 2.328 2.423     .  0 0 "[    .    1    .    2    .]" 5 
       29 2 36 CYS H   2 36 CYS HB2 . . 2.700 2.629 2.579 2.684     .  0 0 "[    .    1    .    2    .]" 5 
       30 2 36 CYS HB3 2 39 CYS H   . . 3.300 2.980 2.732 3.137     .  0 0 "[    .    1    .    2    .]" 5 
       31 2 36 CYS HB3 2 40 GLY H   . . 3.300 2.597 2.223 2.827     .  0 0 "[    .    1    .    2    .]" 5 
       32 2 36 CYS H   2 41 LYS H   . . 3.300 3.254 2.915 3.347 0.047 15 0 "[    .    1    .    2    .]" 5 
       33 2 36 CYS HB3 2 41 LYS H   . . 2.700 2.199 1.959 2.340     .  0 0 "[    .    1    .    2    .]" 5 
       34 2 36 CYS HB2 2 44 HIS HD2 . . 3.300 2.885 2.750 3.046     .  0 0 "[    .    1    .    2    .]" 5 
       35 2 36 CYS H   2 42 GLU HA  . . 5.000 3.116 2.916 3.254     .  0 0 "[    .    1    .    2    .]" 5 
       36 2 37 TRP H   2 46 MET H   . . 5.000 3.961 3.776 4.055     .  0 0 "[    .    1    .    2    .]" 5 
       37 2 37 TRP HA  2 40 GLY H   . . 5.000 4.189 4.094 4.321     .  0 0 "[    .    1    .    2    .]" 5 
       38 2 38 LYS H   2 38 LYS HB2 . . 2.700 2.738 2.724 2.761 0.061 22 0 "[    .    1    .    2    .]" 5 
       39 2 38 LYS HB3 2 39 CYS H   . . 2.700 2.726 2.713 2.739 0.039 15 0 "[    .    1    .    2    .]" 5 
       40 2 38 LYS H   2 40 GLY H   . . 3.300 2.575 2.541 2.620     .  0 0 "[    .    1    .    2    .]" 5 
       41 2 39 CYS H   2 39 CYS HB3 . . 3.300 3.112 3.081 3.141     .  0 0 "[    .    1    .    2    .]" 5 
       42 2 39 CYS HA  2 39 CYS HB2 . . 2.700 2.519 2.510 2.528     .  0 0 "[    .    1    .    2    .]" 5 
       43 2 39 CYS HA  2 39 CYS HB3 . . 2.700 2.380 2.371 2.388     .  0 0 "[    .    1    .    2    .]" 5 
       44 2 39 CYS HB3 2 51 GLU HB2 . . 5.000 3.560 2.153 5.009 0.009 22 0 "[    .    1    .    2    .]" 5 
       45 2 39 CYS HB3 2 51 GLU HB3 . . 5.000 3.319 2.132 4.981     .  0 0 "[    .    1    .    2    .]" 5 
       46 2 40 GLY H   2 40 GLY HA2 . . 2.700 2.333 2.324 2.342     .  0 0 "[    .    1    .    2    .]" 5 
       47 2 41 LYS HB2 2 44 HIS HE1 . . 3.300 1.968 1.961 1.984     .  0 0 "[    .    1    .    2    .]" 5 
       48 2 41 LYS HB3 2 44 HIS HE1 . . 3.300 1.965 1.956 1.980     .  0 0 "[    .    1    .    2    .]" 5 
       49 2 41 LYS H   2 41 LYS HB2 . . 2.700 2.269 2.240 2.315     .  0 0 "[    .    1    .    2    .]" 5 
       50 2 41 LYS H   2 44 HIS HE1 . . 3.300 3.384 3.348 3.409 0.109 15 0 "[    .    1    .    2    .]" 5 
       51 2 42 GLU H   2 42 GLU HB3 . . 2.700 2.690 2.626 2.739 0.039  2 0 "[    .    1    .    2    .]" 5 
       52 2 42 GLU H   2 42 GLU HG2 . . 3.300 2.343 1.919 2.943     .  0 0 "[    .    1    .    2    .]" 5 
       53 2 42 GLU HA  2 42 GLU HB2 . . 2.700 2.468 2.439 2.523     .  0 0 "[    .    1    .    2    .]" 5 
       54 2 42 GLU HA  2 42 GLU HB3 . . 2.700 2.470 2.418 2.500     .  0 0 "[    .    1    .    2    .]" 5 
       55 2 44 HIS H   2 44 HIS HB3 . . 2.700 2.710 2.687 2.751 0.051  2 0 "[    .    1    .    2    .]" 5 
       56 2 44 HIS HB2 2 45 GLN H   . . 2.700 2.328 2.195 2.491     .  0 0 "[    .    1    .    2    .]" 5 
       57 2 44 HIS HD2 2 45 GLN H   . . 3.300 2.770 2.545 3.025     .  0 0 "[    .    1    .    2    .]" 5 
       58 2 44 HIS HD2 2 48 ASP H   . . 5.000 4.030 3.866 4.169     .  0 0 "[    .    1    .    2    .]" 5 
       59 2 44 HIS HD2 2 50 THR H   . . 3.300 3.187 2.990 3.306 0.006  4 0 "[    .    1    .    2    .]" 5 
       60 2 44 HIS HD2 2 49 CYS HA  . . 3.300 2.009 1.985 2.150     .  0 0 "[    .    1    .    2    .]" 5 
       61 2 44 HIS HB2 2 44 HIS HD2 . . 3.300 2.902 2.867 2.939     .  0 0 "[    .    1    .    2    .]" 5 
       62 2 44 HIS QB  2 48 ASP HB2 . . 5.800 4.056 3.289 4.717     .  0 0 "[    .    1    .    2    .]" 5 
       63 2 44 HIS HE1 2 50 THR MG  . . 5.500 3.202 2.554 4.455     .  0 0 "[    .    1    .    2    .]" 5 
       64 2 45 GLN QB  2 46 MET H   . . 3.500 2.564 2.441 2.659     .  0 0 "[    .    1    .    2    .]" 5 
       65 2 45 GLN H   2 48 ASP H   . . 3.300 3.267 3.190 3.312 0.012 23 0 "[    .    1    .    2    .]" 5 
       66 2 46 MET HA  2 49 CYS HB2 . . 5.000 2.058 1.985 2.268     .  0 0 "[    .    1    .    2    .]" 5 
       67 2 46 MET HA  2 49 CYS H   . . 3.300 3.271 3.135 3.316 0.016 17 0 "[    .    1    .    2    .]" 5 
       68 2 47 LYS H   2 47 LYS HB2 . . 2.700 2.269 2.002 2.563     .  0 0 "[    .    1    .    2    .]" 5 
       69 2 47 LYS HB3 2 48 ASP H   . . 3.300 2.971 2.748 3.302 0.002 11 0 "[    .    1    .    2    .]" 5 
       70 2 48 ASP H   2 48 ASP HB2 . . 3.300 2.451 2.259 2.653     .  0 0 "[    .    1    .    2    .]" 5 
       71 2 48 ASP HB3 2 49 CYS HA  . . 5.000 4.601 4.439 4.966     .  0 0 "[    .    1    .    2    .]" 5 
       72 2 49 CYS HA  2 51 GLU H   . . 3.300 3.333 3.321 3.427 0.127  3 0 "[    .    1    .    2    .]" 5 
       73 2 49 CYS H   2 49 CYS HB2 . . 2.700 2.374 2.327 2.418     .  0 0 "[    .    1    .    2    .]" 5 
       74 2 49 CYS H   2 49 CYS HB3 . . 2.700 2.635 2.579 2.712 0.012  4 0 "[    .    1    .    2    .]" 5 
       75 2 49 CYS HA  2 49 CYS HB2 . . 2.700 2.499 2.489 2.511     .  0 0 "[    .    1    .    2    .]" 5 
    stop_

save_


save_distance_constraint_statistics_6
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            6
    _Distance_constraint_stats_list.Constraint_count              143
    _Distance_constraint_stats_list.Viol_count                    984
    _Distance_constraint_stats_list.Viol_total                    391.587
    _Distance_constraint_stats_list.Viol_max                      0.106
    _Distance_constraint_stats_list.Viol_rms                      0.0108
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0044
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0159
    _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 G 0.038 0.035  9 0 "[    .    1    .    2    .]" 
       1  2 G 0.079 0.035  9 0 "[    .    1    .    2    .]" 
       1  3 A 2.123 0.044  7 0 "[    .    1    .    2    .]" 
       1  4 C 1.769 0.044  7 0 "[    .    1    .    2    .]" 
       1  5 U 0.366 0.021 25 0 "[    .    1    .    2    .]" 
       1  6 A 1.923 0.063 10 0 "[    .    1    .    2    .]" 
       1  7 G 1.941 0.066  3 0 "[    .    1    .    2    .]" 
       1  8 C 0.999 0.039  3 0 "[    .    1    .    2    .]" 
       1  9 G 1.159 0.071  7 0 "[    .    1    .    2    .]" 
       1 10 G 1.693 0.099 15 0 "[    .    1    .    2    .]" 
       1 11 A 0.721 0.069 16 0 "[    .    1    .    2    .]" 
       1 12 G 1.272 0.106 15 0 "[    .    1    .    2    .]" 
       1 13 G 3.512 0.106 15 0 "[    .    1    .    2    .]" 
       1 14 C 3.141 0.100 13 0 "[    .    1    .    2    .]" 
       1 15 U 1.192 0.035 13 0 "[    .    1    .    2    .]" 
       1 16 A 1.389 0.055 25 0 "[    .    1    .    2    .]" 
       1 17 G 0.912 0.034 25 0 "[    .    1    .    2    .]" 
       1 18 U 0.196 0.021  9 0 "[    .    1    .    2    .]" 
       1 19 C 0.255 0.096  9 0 "[    .    1    .    2    .]" 
       1 20 C 0.210 0.096  9 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 G H2'  1  1 G H8   . . 3.300 3.094 1.883 3.301 0.001  4 0 "[    .    1    .    2    .]" 6 
         2 1  1 G H3'  1  1 G H8   . . 3.300 2.180 1.998 3.020     .  0 0 "[    .    1    .    2    .]" 6 
         3 1  2 G H2'  1  2 G H8   . . 3.300 3.296 3.253 3.314 0.014  9 0 "[    .    1    .    2    .]" 6 
         4 1  2 G H3'  1  2 G H8   . . 3.300 2.338 2.086 2.581     .  0 0 "[    .    1    .    2    .]" 6 
         5 1  3 A H2'  1  3 A H8   . . 3.300 3.320 3.307 3.328 0.028  2 0 "[    .    1    .    2    .]" 6 
         6 1  3 A H3'  1  3 A H8   . . 3.300 2.556 2.323 2.863     .  0 0 "[    .    1    .    2    .]" 6 
         7 1  4 C H2'  1  4 C H6   . . 3.300 3.295 3.199 3.311 0.011 23 0 "[    .    1    .    2    .]" 6 
         8 1  4 C H3'  1  4 C H6   . . 3.300 2.605 2.246 3.305 0.005  4 0 "[    .    1    .    2    .]" 6 
         9 1  5 U H2'  1  5 U H6   . . 3.300 3.285 3.214 3.309 0.009  7 0 "[    .    1    .    2    .]" 6 
        10 1  5 U H3'  1  5 U H6   . . 3.300 2.639 2.056 3.302 0.002 11 0 "[    .    1    .    2    .]" 6 
        11 1  6 A H2'  1  6 A H8   . . 3.300 3.327 3.312 3.363 0.063 10 0 "[    .    1    .    2    .]" 6 
        12 1  6 A H3'  1  6 A H8   . . 3.300 2.879 2.665 3.189     .  0 0 "[    .    1    .    2    .]" 6 
        13 1  7 G H2'  1  7 G H8   . . 3.300 3.328 3.310 3.366 0.066  3 0 "[    .    1    .    2    .]" 6 
        14 1  7 G H3'  1  7 G H8   . . 3.300 2.707 2.267 2.997     .  0 0 "[    .    1    .    2    .]" 6 
        15 1  8 C H2'  1  8 C H6   . . 3.300 3.299 3.178 3.318 0.018 22 0 "[    .    1    .    2    .]" 6 
        16 1  8 C H3'  1  8 C H6   . . 3.300 2.882 2.391 3.317 0.017 13 0 "[    .    1    .    2    .]" 6 
        17 1  9 G H2'  1  9 G H8   . . 3.300 3.295 3.123 3.371 0.071  7 0 "[    .    1    .    2    .]" 6 
        18 1  9 G H3'  1  9 G H8   . . 3.300 2.590 1.985 3.306 0.006 12 0 "[    .    1    .    2    .]" 6 
        19 1 10 G H1'  1 10 G H4'  . . 3.300 3.267 3.125 3.379 0.079  3 0 "[    .    1    .    2    .]" 6 
        20 1 10 G H2'  1 10 G H8   . . 3.300 2.881 2.557 3.231     .  0 0 "[    .    1    .    2    .]" 6 
        21 1 10 G H3'  1 10 G H8   . . 3.300 3.336 3.311 3.399 0.099 15 0 "[    .    1    .    2    .]" 6 
        22 1 10 G H5'  1 10 G H8   . . 5.000 2.449 1.962 3.573     .  0 0 "[    .    1    .    2    .]" 6 
        23 1 10 G H4'  1 10 G H5'' . . 3.300 2.456 2.212 3.028     .  0 0 "[    .    1    .    2    .]" 6 
        24 1 11 A H1'  1 11 A H4'  . . 3.300 2.709 2.451 3.255     .  0 0 "[    .    1    .    2    .]" 6 
        25 1 11 A H2'  1 11 A H8   . . 2.700 2.712 2.570 2.757 0.057 23 0 "[    .    1    .    2    .]" 6 
        26 1 11 A H3'  1 11 A H8   . . 5.000 4.508 4.333 4.580     .  0 0 "[    .    1    .    2    .]" 6 
        27 1 11 A H4'  1 11 A H5'  . . 2.700 2.597 2.220 2.769 0.069 16 0 "[    .    1    .    2    .]" 6 
        28 1 11 A H4'  1 11 A H5'' . . 2.700 2.308 2.220 2.756 0.056 14 0 "[    .    1    .    2    .]" 6 
        29 1 11 A H5'  1 11 A H8   . . 5.000 4.288 3.498 4.574     .  0 0 "[    .    1    .    2    .]" 6 
        30 1 12 G H2'  1 12 G H8   . . 2.700 2.630 2.176 2.735 0.035  8 0 "[    .    1    .    2    .]" 6 
        31 1 12 G H3'  1 12 G H8   . . 5.000 3.066 2.003 3.723     .  0 0 "[    .    1    .    2    .]" 6 
        32 1 12 G H4'  1 12 G H5'  . . 2.700 2.471 2.213 2.700     . 24 0 "[    .    1    .    2    .]" 6 
        33 1 13 G H2'  1 13 G H8   . . 3.300 3.208 3.014 3.329 0.029 15 0 "[    .    1    .    2    .]" 6 
        34 1 13 G H3'  1 13 G H8   . . 3.300 2.342 2.018 2.833     .  0 0 "[    .    1    .    2    .]" 6 
        35 1 13 G H5'  1 13 G H8   . . 3.300 2.930 1.972 3.340 0.040 24 0 "[    .    1    .    2    .]" 6 
        36 1 14 C H2'  1 14 C H6   . . 3.300 3.304 3.243 3.326 0.026  3 0 "[    .    1    .    2    .]" 6 
        37 1 14 C H3'  1 14 C H6   . . 3.300 2.100 1.986 2.339     .  0 0 "[    .    1    .    2    .]" 6 
        38 1 15 U H2'  1 15 U H6   . . 3.300 3.203 2.894 3.305 0.005 18 0 "[    .    1    .    2    .]" 6 
        39 1 15 U H3'  1 15 U H6   . . 3.300 3.026 2.370 3.313 0.013  2 0 "[    .    1    .    2    .]" 6 
        40 1 16 A H2'  1 16 A H8   . . 3.300 3.327 3.316 3.355 0.055 25 0 "[    .    1    .    2    .]" 6 
        41 1 16 A H3'  1 16 A H8   . . 3.300 3.103 2.803 3.307 0.007 25 0 "[    .    1    .    2    .]" 6 
        42 1 17 G H2'  1 17 G H8   . . 3.300 3.313 3.304 3.334 0.034 25 0 "[    .    1    .    2    .]" 6 
        43 1 17 G H3'  1 17 G H8   . . 3.300 2.718 2.449 2.944     .  0 0 "[    .    1    .    2    .]" 6 
        44 1 18 U H2'  1 18 U H6   . . 3.300 3.277 3.121 3.303 0.003 10 0 "[    .    1    .    2    .]" 6 
        45 1 18 U H3'  1 18 U H6   . . 3.300 2.553 2.118 3.038     .  0 0 "[    .    1    .    2    .]" 6 
        46 1 19 C H2'  1 19 C H6   . . 3.300 3.227 2.696 3.303 0.003  7 0 "[    .    1    .    2    .]" 6 
        47 1 19 C H3'  1 19 C H6   . . 3.300 2.481 2.000 3.302 0.002 18 0 "[    .    1    .    2    .]" 6 
        48 1 20 C H2'  1 20 C H6   . . 3.300 3.097 2.426 3.300     .  0 0 "[    .    1    .    2    .]" 6 
        49 1 20 C H3'  1 20 C H6   . . 3.300 2.341 2.111 3.303 0.003 19 0 "[    .    1    .    2    .]" 6 
        50 1  1 G H2'  1  2 G H8   . . 3.300 2.923 2.491 3.335 0.035  9 0 "[    .    1    .    2    .]" 6 
        51 1  1 G H2'  1  2 G H1'  . . 5.000 3.797 3.206 4.271     .  0 0 "[    .    1    .    2    .]" 6 
        52 1  1 G H3'  1  2 G H8   . . 3.300 3.217 1.986 3.301 0.001  8 0 "[    .    1    .    2    .]" 6 
        53 1  1 G H8   1  2 G H8   . . 5.000 3.968 3.148 4.429     .  0 0 "[    .    1    .    2    .]" 6 
        54 1  2 G H2'  1  3 A H8   . . 3.300 2.464 2.053 2.858     .  0 0 "[    .    1    .    2    .]" 6 
        55 1  2 G H2'  1  3 A H1'  . . 5.000 4.135 3.432 4.569     .  0 0 "[    .    1    .    2    .]" 6 
        56 1  2 G H3'  1  3 A H8   . . 3.300 3.275 2.980 3.301 0.001 11 0 "[    .    1    .    2    .]" 6 
        57 1  2 G H8   1  3 A H8   . . 5.000 4.194 3.865 4.414     .  0 0 "[    .    1    .    2    .]" 6 
        58 1  3 A H2'  1  4 C H6   . . 3.300 2.016 1.980 2.103     .  0 0 "[    .    1    .    2    .]" 6 
        59 1  3 A H2'  1  4 C H5   . . 3.300 3.331 3.310 3.344 0.044  7 0 "[    .    1    .    2    .]" 6 
        60 1  3 A H2'  1  4 C H1'  . . 5.000 3.815 3.744 3.921     .  0 0 "[    .    1    .    2    .]" 6 
        61 1  3 A H3'  1  4 C H6   . . 3.300 3.323 3.305 3.332 0.032 15 0 "[    .    1    .    2    .]" 6 
        62 1  3 A H2   1 18 U H3   . . 2.700 2.544 2.190 2.698     .  0 0 "[    .    1    .    2    .]" 6 
        63 1  3 A H2   1  4 C H1'  . . 5.000 5.005 4.999 5.009 0.009  9 0 "[    .    1    .    2    .]" 6 
        64 1  3 A H2   1 19 C H1'  . . 5.000 4.971 4.931 5.010 0.010  9 0 "[    .    1    .    2    .]" 6 
        65 1  3 A H2   1 17 G H1   . . 5.000 5.006 5.001 5.010 0.010 15 0 "[    .    1    .    2    .]" 6 
        66 1  3 A H8   1  4 C H5   . . 5.000 3.150 3.048 3.235     .  0 0 "[    .    1    .    2    .]" 6 
        67 1  4 C H2'  1  5 U H6   . . 3.300 2.398 2.062 2.696     .  0 0 "[    .    1    .    2    .]" 6 
        68 1  4 C H2'  1  5 U H5   . . 3.300 3.195 2.658 3.310 0.010 25 0 "[    .    1    .    2    .]" 6 
        69 1  4 C H2'  1  5 U H1'  . . 5.000 3.856 3.552 4.663     .  0 0 "[    .    1    .    2    .]" 6 
        70 1  4 C H3'  1  5 U H6   . . 3.300 3.304 3.276 3.321 0.021 25 0 "[    .    1    .    2    .]" 6 
        71 1  4 C H6   1  5 U H6   . . 5.000 4.896 4.569 5.007 0.007 22 0 "[    .    1    .    2    .]" 6 
        72 1  4 C H6   1  5 U H5   . . 5.000 4.008 3.625 4.286     .  0 0 "[    .    1    .    2    .]" 6 
        73 1  4 C H5   1  5 U H5   . . 5.000 4.298 3.806 4.597     .  0 0 "[    .    1    .    2    .]" 6 
        74 1  5 U H2'  1  6 A H8   . . 3.300 2.777 2.110 3.302 0.002 22 0 "[    .    1    .    2    .]" 6 
        75 1  5 U H2'  1  6 A H1'  . . 5.000 4.182 3.739 4.627     .  0 0 "[    .    1    .    2    .]" 6 
        76 1  5 U H3'  1  6 A H8   . . 3.300 3.292 3.239 3.316 0.016 10 0 "[    .    1    .    2    .]" 6 
        77 1  5 U H3   1 16 A H2   . . 2.700 2.418 1.959 2.702 0.002  6 0 "[    .    1    .    2    .]" 6 
        78 1  5 U H6   1  6 A H8   . . 5.000 4.037 3.370 4.794     .  0 0 "[    .    1    .    2    .]" 6 
        79 1  6 A H2'  1  7 G H8   . . 3.300 2.123 2.013 2.323     .  0 0 "[    .    1    .    2    .]" 6 
        80 1  6 A H2'  1  7 G H1'  . . 5.000 3.672 3.560 3.762     .  0 0 "[    .    1    .    2    .]" 6 
        81 1  6 A H3'  1  7 G H8   . . 3.300 3.312 3.303 3.326 0.026 11 0 "[    .    1    .    2    .]" 6 
        82 1  6 A H2   1 15 U H3   . . 2.700 2.705 2.693 2.711 0.011  7 0 "[    .    1    .    2    .]" 6 
        83 1  6 A H2   1  7 G H1'  . . 5.000 5.021 5.011 5.036 0.036 11 0 "[    .    1    .    2    .]" 6 
        84 1  6 A H2   1 16 A H1'  . . 5.000 5.009 5.003 5.019 0.019  7 0 "[    .    1    .    2    .]" 6 
        85 1  6 A H1'  1 16 A H2   . . 5.000 4.848 4.600 4.998     .  0 0 "[    .    1    .    2    .]" 6 
        86 1  6 A H8   1  7 G H8   . . 5.000 3.993 3.900 4.115     .  0 0 "[    .    1    .    2    .]" 6 
        87 1  7 G H2'  1  8 C H6   . . 3.300 2.704 2.474 2.919     .  0 0 "[    .    1    .    2    .]" 6 
        88 1  7 G H2'  1  8 C H5   . . 3.300 3.194 2.803 3.321 0.021 18 0 "[    .    1    .    2    .]" 6 
        89 1  7 G H2'  1  8 C H1'  . . 5.000 3.715 3.400 4.179     .  0 0 "[    .    1    .    2    .]" 6 
        90 1  7 G H3'  1  8 C H6   . . 3.300 3.315 3.302 3.339 0.039  3 0 "[    .    1    .    2    .]" 6 
        91 1  7 G H8   1  8 C H5   . . 5.000 3.783 3.341 4.375     .  0 0 "[    .    1    .    2    .]" 6 
        92 1  8 C H2'  1  9 G H8   . . 3.300 2.943 2.492 3.314 0.014 15 0 "[    .    1    .    2    .]" 6 
        93 1  8 C H3'  1  9 G H8   . . 3.300 3.312 3.288 3.335 0.035 10 0 "[    .    1    .    2    .]" 6 
        94 1  9 G H2'  1 10 G H4'  . . 3.300 3.296 2.935 3.345 0.045 15 0 "[    .    1    .    2    .]" 6 
        95 1  9 G H2'  1 10 G H5'' . . 5.000 3.183 2.001 4.715     .  0 0 "[    .    1    .    2    .]" 6 
        96 1  9 G H3'  1 10 G H5'' . . 5.000 3.145 1.987 4.997     .  0 0 "[    .    1    .    2    .]" 6 
        97 1 10 G H4'  1 11 A H8   . . 5.000 4.118 3.544 4.757     .  0 0 "[    .    1    .    2    .]" 6 
        98 1 10 G H4'  1 11 A H5'  . . 3.300 2.190 1.978 3.210     .  0 0 "[    .    1    .    2    .]" 6 
        99 1 10 G H5'' 1 11 A H5'  . . 5.000 3.582 2.371 4.475     .  0 0 "[    .    1    .    2    .]" 6 
       100 1 10 G H3'  1 11 A H5'  . . 5.000 3.998 3.548 5.024 0.024 14 0 "[    .    1    .    2    .]" 6 
       101 1 10 G H1'  1 11 A H8   . . 5.000 2.906 2.469 3.594     .  0 0 "[    .    1    .    2    .]" 6 
       102 1 11 A H1'  1 12 G H8   . . 3.300 2.810 2.321 3.314 0.014 16 0 "[    .    1    .    2    .]" 6 
       103 1 12 G H4'  1 13 G H8   . . 3.300 2.923 2.426 3.329 0.029 10 0 "[    .    1    .    2    .]" 6 
       104 1 12 G H4'  1 13 G H1'  . . 5.000 4.153 3.620 4.682     .  0 0 "[    .    1    .    2    .]" 6 
       105 1 12 G H1'  1 13 G H8   . . 5.000 4.977 4.797 5.064 0.064 15 0 "[    .    1    .    2    .]" 6 
       106 1 12 G H3'  1 13 G H5'  . . 5.000 3.238 2.156 5.076 0.076 19 0 "[    .    1    .    2    .]" 6 
       107 1 12 G H3'  1 13 G H5'' . . 5.000 3.901 2.728 4.500     .  0 0 "[    .    1    .    2    .]" 6 
       108 1 12 G H4'  1 13 G H5'  . . 3.300 3.095 1.994 3.406 0.106 15 0 "[    .    1    .    2    .]" 6 
       109 1 12 G H5'  1 13 G H5'' . . 5.000 3.394 2.104 4.269     .  0 0 "[    .    1    .    2    .]" 6 
       110 1 13 G H2'  1 14 C H6   . . 3.300 2.286 2.017 2.675     .  0 0 "[    .    1    .    2    .]" 6 
       111 1 13 G H2'  1 14 C H5   . . 3.300 3.350 3.330 3.400 0.100 13 0 "[    .    1    .    2    .]" 6 
       112 1 13 G H2'  1 14 C H1'  . . 5.000 3.702 3.460 3.896     .  0 0 "[    .    1    .    2    .]" 6 
       113 1 13 G H3'  1 14 C H6   . . 3.300 3.335 3.313 3.360 0.060 11 0 "[    .    1    .    2    .]" 6 
       114 1 13 G H8   1 14 C H5   . . 5.000 3.695 3.272 3.969     .  0 0 "[    .    1    .    2    .]" 6 
       115 1 14 C H2'  1 15 U H6   . . 3.300 2.097 1.978 2.364     .  0 0 "[    .    1    .    2    .]" 6 
       116 1 14 C H2'  1 15 U H5   . . 3.300 3.286 3.070 3.325 0.025 25 0 "[    .    1    .    2    .]" 6 
       117 1 14 C H2'  1 15 U H1'  . . 5.000 3.819 3.551 4.156     .  0 0 "[    .    1    .    2    .]" 6 
       118 1 14 C H3'  1 15 U H6   . . 3.300 3.153 2.830 3.306 0.006 20 0 "[    .    1    .    2    .]" 6 
       119 1 14 C H6   1 15 U H5   . . 3.300 3.322 3.309 3.335 0.035 13 0 "[    .    1    .    2    .]" 6 
       120 1 15 U H2'  1 16 A H8   . . 3.300 2.528 2.144 2.927     .  0 0 "[    .    1    .    2    .]" 6 
       121 1 15 U H3'  1 16 A H8   . . 3.300 3.237 2.966 3.313 0.013 20 0 "[    .    1    .    2    .]" 6 
       122 1 15 U H6   1 16 A H8   . . 5.000 4.987 4.803 5.015 0.015  6 0 "[    .    1    .    2    .]" 6 
       123 1 16 A H2'  1 17 G H8   . . 3.300 2.121 1.996 2.269     .  0 0 "[    .    1    .    2    .]" 6 
       124 1 16 A H2'  1 17 G H1'  . . 5.000 3.679 3.472 3.892     .  0 0 "[    .    1    .    2    .]" 6 
       125 1 16 A H3'  1 17 G H8   . . 3.300 3.304 3.296 3.314 0.014  9 0 "[    .    1    .    2    .]" 6 
       126 1 16 A H2   1 17 G H1'  . . 5.000 5.007 5.001 5.024 0.024 25 0 "[    .    1    .    2    .]" 6 
       127 1 16 A H8   1 17 G H8   . . 5.000 3.991 3.703 4.294     .  0 0 "[    .    1    .    2    .]" 6 
       128 1 17 G H2'  1 18 U H6   . . 3.300 2.070 1.987 2.234     .  0 0 "[    .    1    .    2    .]" 6 
       129 1 17 G H2'  1 18 U H5   . . 3.300 3.280 3.084 3.317 0.017  9 0 "[    .    1    .    2    .]" 6 
       130 1 17 G H2'  1 18 U H1'  . . 5.000 3.922 3.796 4.200     .  0 0 "[    .    1    .    2    .]" 6 
       131 1 17 G H3'  1 18 U H6   . . 3.300 3.294 3.188 3.321 0.021  9 0 "[    .    1    .    2    .]" 6 
       132 1 17 G H8   1 18 U H5   . . 5.000 3.119 2.808 3.652     .  0 0 "[    .    1    .    2    .]" 6 
       133 1 18 U H2'  1 19 C H6   . . 3.300 2.181 2.015 2.370     .  0 0 "[    .    1    .    2    .]" 6 
       134 1 18 U H2'  1 19 C H5   . . 3.300 3.275 3.121 3.303 0.003 20 0 "[    .    1    .    2    .]" 6 
       135 1 18 U H2'  1 19 C H1'  . . 5.000 4.064 3.866 4.534     .  0 0 "[    .    1    .    2    .]" 6 
       136 1 18 U H3'  1 19 C H6   . . 3.300 3.231 2.953 3.307 0.007  9 0 "[    .    1    .    2    .]" 6 
       137 1 18 U H6   1 19 C H5   . . 3.300 3.225 3.058 3.301 0.001 14 0 "[    .    1    .    2    .]" 6 
       138 1 18 U H3   1 19 C H41  . . 5.000 3.856 3.616 4.101     .  0 0 "[    .    1    .    2    .]" 6 
       139 1 19 C H2'  1 20 C H6   . . 3.300 2.809 1.949 3.112     .  0 0 "[    .    1    .    2    .]" 6 
       140 1 19 C H2'  1 20 C H5   . . 3.300 3.147 2.312 3.301 0.001  5 0 "[    .    1    .    2    .]" 6 
       141 1 19 C H2'  1 20 C H1'  . . 5.000 4.562 3.942 5.096 0.096  9 0 "[    .    1    .    2    .]" 6 
       142 1 19 C H3'  1 20 C H6   . . 3.300 3.172 2.743 3.370 0.070  9 0 "[    .    1    .    2    .]" 6 
       143 1 19 C H6   1 20 C H5   . . 5.000 3.240 2.926 5.036 0.036  9 0 "[    .    1    .    2    .]" 6 
    stop_

save_


save_distance_constraint_statistics_7
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            7
    _Distance_constraint_stats_list.Constraint_count              59
    _Distance_constraint_stats_list.Viol_count                    163
    _Distance_constraint_stats_list.Viol_total                    53.504
    _Distance_constraint_stats_list.Viol_max                      0.051
    _Distance_constraint_stats_list.Viol_rms                      0.0053
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0015
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0131
    _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  4 C   0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1  5 U   0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1  6 A   0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1  8 C   0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1  9 G   0.436 0.045 15 0 "[    .    1    .    2    .]" 
       1 10 G   0.871 0.035 21 0 "[    .    1    .    2    .]" 
       1 11 A   0.155 0.024 23 0 "[    .    1    .    2    .]" 
       1 12 G   0.609 0.051 17 0 "[    .    1    .    2    .]" 
       1 14 C   0.069 0.034 13 0 "[    .    1    .    2    .]" 
       2  5 ASN 0.069 0.034 13 0 "[    .    1    .    2    .]" 
       2  7 ARG 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 10 ARG 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 11 LYS 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 13 VAL 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 14 LYS 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 15 CYS 0.155 0.051 17 0 "[    .    1    .    2    .]" 
       2 16 PHE 1.306 0.049 10 0 "[    .    1    .    2    .]" 
       2 24 ILE 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 25 ALA 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 26 LYS 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 32 ARG 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 35 GLY 0.086 0.033  4 0 "[    .    1    .    2    .]" 
       2 36 CYS 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 37 TRP 0.247 0.035 21 0 "[    .    1    .    2    .]" 
       2 45 GLN 0.277 0.032 14 0 "[    .    1    .    2    .]" 
       2 46 MET 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 47 LYS 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  4 C H5   2  7 ARG QD   . . 5.800 3.547 2.479 4.862     .  0 0 "[    .    1    .    2    .]" 7 
        2 1  5 U H5   2  7 ARG QD   . . 4.100 2.727 2.311 3.700     .  0 0 "[    .    1    .    2    .]" 7 
        3 1  5 U H6   2 10 ARG QD   . . 5.800 3.995 2.915 5.151     .  0 0 "[    .    1    .    2    .]" 7 
        4 1  6 A H8   2 10 ARG QD   . . 5.800 3.887 3.058 4.785     .  0 0 "[    .    1    .    2    .]" 7 
        5 1  8 C H5   2 11 LYS QE   . . 5.800 3.341 1.787 5.033     .  0 0 "[    .    1    .    2    .]" 7 
        6 1  9 G H1'  2 16 PHE HE2  . . 5.000 4.839 4.353 5.024 0.024 15 0 "[    .    1    .    2    .]" 7 
        7 1  9 G H2'  2 16 PHE HE2  . . 3.300 3.252 2.887 3.345 0.045 15 0 "[    .    1    .    2    .]" 7 
        8 1  9 G H2'  2 16 PHE HZ   . . 5.000 2.128 1.960 2.766     .  0 0 "[    .    1    .    2    .]" 7 
        9 1  9 G H8   2 16 PHE HE2  . . 5.000 4.900 4.237 5.028 0.028 25 0 "[    .    1    .    2    .]" 7 
       10 1 10 G H1'  2 16 PHE HB3  . . 5.000 2.938 2.272 3.502     .  0 0 "[    .    1    .    2    .]" 7 
       11 1 10 G H1'  2 16 PHE HE1  . . 5.000 4.987 4.634 5.034 0.034 14 0 "[    .    1    .    2    .]" 7 
       12 1 10 G H1'  2 16 PHE HD1  . . 5.000 3.534 3.263 3.793     .  0 0 "[    .    1    .    2    .]" 7 
       13 1 10 G H4'  2 16 PHE HE1  . . 5.000 2.956 2.483 3.538     .  0 0 "[    .    1    .    2    .]" 7 
       14 1 10 G H5'' 2 16 PHE HE1  . . 5.000 2.675 1.996 4.172     .  0 0 "[    .    1    .    2    .]" 7 
       15 1 10 G H8   2 37 TRP HH2  . . 3.300 3.182 3.025 3.306 0.006 14 0 "[    .    1    .    2    .]" 7 
       16 1 10 G H8   2 37 TRP HZ2  . . 5.000 4.429 4.214 4.693     .  0 0 "[    .    1    .    2    .]" 7 
       17 1 10 G H8   2 37 TRP HZ3  . . 5.000 4.525 4.176 4.700     .  0 0 "[    .    1    .    2    .]" 7 
       18 1 10 G H22  2 37 TRP HE1  . . 5.000 2.634 2.453 3.027     .  0 0 "[    .    1    .    2    .]" 7 
       19 1 10 G H1   2 37 TRP H    . . 3.300 2.459 2.292 2.898     .  0 0 "[    .    1    .    2    .]" 7 
       20 1 10 G H1   2 46 MET H    . . 5.000 4.037 3.957 4.311     .  0 0 "[    .    1    .    2    .]" 7 
       21 1 10 G H1   2 35 GLY H    . . 5.000 4.140 4.020 4.369     .  0 0 "[    .    1    .    2    .]" 7 
       22 1 10 G H1   2 36 CYS HA   . . 5.000 1.966 1.923 2.157     .  0 0 "[    .    1    .    2    .]" 7 
       23 1 10 G H21  2 35 GLY H    . . 2.700 2.509 2.272 2.733 0.033  4 0 "[    .    1    .    2    .]" 7 
       24 1 10 G H21  2 37 TRP HE1  . . 5.000 2.341 2.194 2.521     .  0 0 "[    .    1    .    2    .]" 7 
       25 1 10 G H1'  2 37 TRP HZ2  . . 3.300 3.278 3.155 3.335 0.035 21 0 "[    .    1    .    2    .]" 7 
       26 1 10 G H8   2 45 GLN HG2  . . 5.000 4.873 3.496 5.032 0.032 14 0 "[    .    1    .    2    .]" 7 
       27 1 10 G H8   2 45 GLN HG3  . . 5.000 3.564 3.264 5.015 0.015  2 0 "[    .    1    .    2    .]" 7 
       28 1 10 G H8   2 45 GLN HE21 . . 5.000 3.815 3.343 5.017 0.017 16 0 "[    .    1    .    2    .]" 7 
       29 1 10 G H8   2 45 GLN HE22 . . 5.000 4.874 3.931 5.022 0.022  2 0 "[    .    1    .    2    .]" 7 
       30 1 10 G H2'  2 45 GLN HE21 . . 3.300 2.446 1.956 3.073     .  0 0 "[    .    1    .    2    .]" 7 
       31 1 10 G H2'  2 45 GLN HE22 . . 3.300 2.693 2.349 2.982     .  0 0 "[    .    1    .    2    .]" 7 
       32 1 10 G H8   2 47 LYS QE   . . 5.800 4.242 1.990 5.211     .  0 0 "[    .    1    .    2    .]" 7 
       33 1 10 G H2'  2 47 LYS QE   . . 5.800 4.319 3.558 5.076     .  0 0 "[    .    1    .    2    .]" 7 
       34 1 11 A H8   2 16 PHE HD1  . . 5.000 4.992 4.709 5.024 0.024 23 0 "[    .    1    .    2    .]" 7 
       35 1 11 A H8   2 16 PHE HB2  . . 5.000 3.809 3.271 4.344     .  0 0 "[    .    1    .    2    .]" 7 
       36 1 11 A H4'  2 16 PHE HE2  . . 3.300 2.592 2.276 3.028     .  0 0 "[    .    1    .    2    .]" 7 
       37 1 11 A H4'  2 16 PHE HD2  . . 5.000 2.838 2.259 3.613     .  0 0 "[    .    1    .    2    .]" 7 
       38 1 11 A H5'  2 16 PHE QR   . . 6.600 2.866 2.385 3.268     .  0 0 "[    .    1    .    2    .]" 7 
       39 1 11 A H1'  2 16 PHE HD2  . . 5.000 3.376 3.017 3.916     .  0 0 "[    .    1    .    2    .]" 7 
       40 1 11 A H2   2 25 ALA MB   . . 3.800 2.707 2.228 3.037     .  0 0 "[    .    1    .    2    .]" 7 
       41 1 11 A H1'  2 25 ALA MB   . . 5.500 4.380 3.994 4.534     .  0 0 "[    .    1    .    2    .]" 7 
       42 1 11 A H2   2 26 LYS HA   . . 5.000 3.761 3.355 4.169     .  0 0 "[    .    1    .    2    .]" 7 
       43 1 11 A H2   2 26 LYS QE   . . 5.800 4.433 3.874 5.017     .  0 0 "[    .    1    .    2    .]" 7 
       44 1 11 A H2   2 32 ARG QD   . . 5.800 4.109 3.452 4.979     .  0 0 "[    .    1    .    2    .]" 7 
       45 1 12 G H1'  2 16 PHE HE2  . . 5.000 4.996 4.659 5.049 0.049 10 0 "[    .    1    .    2    .]" 7 
       46 1 12 G H1'  2 24 ILE MD   . . 5.500 3.889 3.465 4.262     .  0 0 "[    .    1    .    2    .]" 7 
       47 1 12 G H8   2 24 ILE MD   . . 5.500 3.619 2.885 3.997     .  0 0 "[    .    1    .    2    .]" 7 
       48 1 12 G H2'  2 24 ILE MD   . . 5.500 2.897 2.285 3.163     .  0 0 "[    .    1    .    2    .]" 7 
       49 1 12 G H1   2 24 ILE MG   . . 5.500 2.882 2.619 3.160     .  0 0 "[    .    1    .    2    .]" 7 
       50 1 12 G H1   2 15 CYS HA   . . 3.300 3.289 3.151 3.351 0.051 17 0 "[    .    1    .    2    .]" 7 
       51 1 12 G H1   2 24 ILE HA   . . 5.000 3.204 3.036 3.469     .  0 0 "[    .    1    .    2    .]" 7 
       52 1 12 G H1   2 14 LYS H    . . 5.000 3.329 3.054 3.480     .  0 0 "[    .    1    .    2    .]" 7 
       53 1 12 G H1   2 16 PHE H    . . 3.300 3.223 3.025 3.310 0.010  5 0 "[    .    1    .    2    .]" 7 
       54 1 12 G H1   2 16 PHE HD2  . . 5.000 3.421 3.174 3.794     .  0 0 "[    .    1    .    2    .]" 7 
       55 1 12 G H21  2 14 LYS H    . . 2.700 2.376 2.057 2.606     .  0 0 "[    .    1    .    2    .]" 7 
       56 1 12 G H1   2 13 VAL MG1  . . 5.500 4.453 4.193 4.549     .  0 0 "[    .    1    .    2    .]" 7 
       57 1 12 G H8   2 26 LYS QE   . . 5.800 2.932 2.044 4.906     .  0 0 "[    .    1    .    2    .]" 7 
       58 1 12 G H2'  2 26 LYS QE   . . 5.800 2.507 1.980 3.967     .  0 0 "[    .    1    .    2    .]" 7 
       59 1 14 C H5   2  5 ASN HB2  . . 5.000 4.876 4.595 5.034 0.034 13 0 "[    .    1    .    2    .]" 7 
    stop_

save_


save_distance_constraint_statistics_8
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            8
    _Distance_constraint_stats_list.Constraint_count              18
    _Distance_constraint_stats_list.Viol_count                    121
    _Distance_constraint_stats_list.Viol_total                    81.020
    _Distance_constraint_stats_list.Viol_max                      0.082
    _Distance_constraint_stats_list.Viol_rms                      0.0163
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0072
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0268
    _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

       2 13 VAL 0.026 0.026 19 0 "[    .    1    .    2    .]" 
       2 15 CYS 1.834 0.082 17 0 "[    .    1    .    2    .]" 
       2 17 ASN 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 18 CYS 0.323 0.047 17 0 "[    .    1    .    2    .]" 
       2 19 GLY 1.537 0.082 17 0 "[    .    1    .    2    .]" 
       2 20 LYS 0.026 0.010  4 0 "[    .    1    .    2    .]" 
       2 22 GLY 0.026 0.026 19 0 "[    .    1    .    2    .]" 
       2 24 ILE 0.797 0.045  7 0 "[    .    1    .    2    .]" 
       2 25 ALA 0.311 0.049 17 0 "[    .    1    .    2    .]" 
       2 27 ASN 0.797 0.045  7 0 "[    .    1    .    2    .]" 
       2 28 CYS 0.558 0.049 17 0 "[    .    1    .    2    .]" 
       2 30 ALA 0.247 0.020 18 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 2 13 VAL O  2 22 GLY H . . 2.000 1.899 1.797 2.026 0.026 19 0 "[    .    1    .    2    .]" 8 
        2 2 13 VAL O  2 22 GLY N . . 3.000 2.854 2.720 2.945     .  0 0 "[    .    1    .    2    .]" 8 
        3 2 15 CYS N  2 20 LYS O . . 3.000 2.719 2.658 2.779     .  0 0 "[    .    1    .    2    .]" 8 
        4 2 15 CYS H  2 20 LYS O . . 2.000 1.800 1.773 1.861     .  0 0 "[    .    1    .    2    .]" 8 
        5 2 15 CYS O  2 19 GLY N . . 3.000 2.636 2.594 2.667     .  0 0 "[    .    1    .    2    .]" 8 
        6 2 15 CYS O  2 19 GLY H . . 2.000 2.061 2.041 2.082 0.082 17 0 "[    .    1    .    2    .]" 8 
        7 2 15 CYS SG 2 17 ASN H . . 2.550 2.484 2.456 2.521     .  0 0 "[    .    1    .    2    .]" 8 
        8 2 15 CYS SG 2 17 ASN N . . 3.550 3.402 3.355 3.433     .  0 0 "[    .    1    .    2    .]" 8 
        9 2 18 CYS SG 2 20 LYS H . . 2.550 2.533 2.461 2.560 0.010  4 0 "[    .    1    .    2    .]" 8 
       10 2 18 CYS SG 2 20 LYS N . . 3.550 3.324 3.286 3.354     .  0 0 "[    .    1    .    2    .]" 8 
       11 2 15 CYS SG 2 18 CYS H . . 2.550 2.560 2.531 2.597 0.047 17 0 "[    .    1    .    2    .]" 8 
       12 2 15 CYS SG 2 18 CYS N . . 3.550 3.528 3.503 3.546     .  0 0 "[    .    1    .    2    .]" 8 
       13 2 24 ILE O  2 27 ASN N . . 3.000 2.636 2.606 2.655     .  0 0 "[    .    1    .    2    .]" 8 
       14 2 24 ILE O  2 27 ASN H . . 2.000 2.032 2.013 2.045 0.045  7 0 "[    .    1    .    2    .]" 8 
       15 2 25 ALA O  2 28 CYS N . . 3.000 2.905 2.815 2.946     .  0 0 "[    .    1    .    2    .]" 8 
       16 2 25 ALA O  2 28 CYS H . . 2.000 2.003 1.912 2.049 0.049 17 0 "[    .    1    .    2    .]" 8 
       17 2 28 CYS SG 2 30 ALA H . . 2.550 2.559 2.535 2.570 0.020 18 0 "[    .    1    .    2    .]" 8 
       18 2 28 CYS SG 2 30 ALA N . . 3.550 3.381 3.318 3.454     .  0 0 "[    .    1    .    2    .]" 8 
    stop_

save_


save_distance_constraint_statistics_9
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            9
    _Distance_constraint_stats_list.Constraint_count              18
    _Distance_constraint_stats_list.Viol_count                    172
    _Distance_constraint_stats_list.Viol_total                    115.398
    _Distance_constraint_stats_list.Viol_max                      0.089
    _Distance_constraint_stats_list.Viol_rms                      0.0189
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0103
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0268
    _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

       2 34 LYS 1.202 0.073  5 0 "[    .    1    .    2    .]" 
       2 36 CYS 2.427 0.089  4 0 "[    .    1    .    2    .]" 
       2 38 LYS 0.418 0.028 23 0 "[    .    1    .    2    .]" 
       2 39 CYS 0.505 0.033 15 0 "[    .    1    .    2    .]" 
       2 40 GLY 1.653 0.089  4 0 "[    .    1    .    2    .]" 
       2 41 LYS 0.197 0.033 15 0 "[    .    1    .    2    .]" 
       2 43 GLY 1.202 0.073  5 0 "[    .    1    .    2    .]" 
       2 45 GLN 0.035 0.019 23 0 "[    .    1    .    2    .]" 
       2 46 MET 0.077 0.032  4 0 "[    .    1    .    2    .]" 
       2 48 ASP 0.035 0.019 23 0 "[    .    1    .    2    .]" 
       2 49 CYS 0.779 0.050  3 0 "[    .    1    .    2    .]" 
       2 51 GLU 0.702 0.050  3 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 2 34 LYS O  2 43 GLY H . . 2.000 2.044 2.014 2.073 0.073  5 0 "[    .    1    .    2    .]" 9 
        2 2 34 LYS O  2 43 GLY N . . 3.000 2.993 2.930 3.019 0.019  5 0 "[    .    1    .    2    .]" 9 
        3 2 36 CYS N  2 41 LYS O . . 3.000 2.869 2.798 3.008 0.008 12 0 "[    .    1    .    2    .]" 9 
        4 2 36 CYS H  2 41 LYS O . . 2.000 1.878 1.828 2.009 0.009 12 0 "[    .    1    .    2    .]" 9 
        5 2 36 CYS O  2 40 GLY N . . 3.000 2.771 2.700 2.820     .  0 0 "[    .    1    .    2    .]" 9 
        6 2 36 CYS O  2 40 GLY H . . 2.000 2.066 2.052 2.089 0.089  4 0 "[    .    1    .    2    .]" 9 
        7 2 36 CYS SG 2 38 LYS H . . 2.550 2.566 2.531 2.578 0.028 23 0 "[    .    1    .    2    .]" 9 
        8 2 36 CYS SG 2 38 LYS N . . 3.550 3.206 3.171 3.248     .  0 0 "[    .    1    .    2    .]" 9 
        9 2 36 CYS SG 2 39 CYS H . . 2.550 2.563 2.551 2.580 0.030  2 0 "[    .    1    .    2    .]" 9 
       10 2 36 CYS SG 2 39 CYS N . . 3.550 3.466 3.447 3.486     .  0 0 "[    .    1    .    2    .]" 9 
       11 2 39 CYS SG 2 41 LYS H . . 2.550 2.554 2.534 2.583 0.033 15 0 "[    .    1    .    2    .]" 9 
       12 2 39 CYS SG 2 41 LYS N . . 3.550 3.439 3.427 3.449     .  0 0 "[    .    1    .    2    .]" 9 
       13 2 45 GLN O  2 48 ASP N . . 3.000 2.697 2.683 2.725     .  0 0 "[    .    1    .    2    .]" 9 
       14 2 45 GLN O  2 48 ASP H . . 2.000 1.960 1.844 2.019 0.019 23 0 "[    .    1    .    2    .]" 9 
       15 2 46 MET O  2 49 CYS N . . 3.000 2.897 2.741 3.002 0.002  4 0 "[    .    1    .    2    .]" 9 
       16 2 46 MET O  2 49 CYS H . . 2.000 1.949 1.803 2.032 0.032  4 0 "[    .    1    .    2    .]" 9 
       17 2 49 CYS SG 2 51 GLU H . . 2.550 2.578 2.569 2.600 0.050  3 0 "[    .    1    .    2    .]" 9 
       18 2 49 CYS SG 2 51 GLU N . . 3.550 3.501 3.479 3.538     .  0 0 "[    .    1    .    2    .]" 9 
    stop_

save_


save_distance_constraint_statistics_10
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            10
    _Distance_constraint_stats_list.Constraint_count              20
    _Distance_constraint_stats_list.Viol_count                    174
    _Distance_constraint_stats_list.Viol_total                    98.117
    _Distance_constraint_stats_list.Viol_max                      0.099
    _Distance_constraint_stats_list.Viol_rms                      0.0160
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0078
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0226
    _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 10 G   1.428 0.078 15 0 "[    .    1    .    2    .]" 
       1 11 A   1.368 0.099 24 0 "[    .    1    .    2    .]" 
       1 12 G   0.801 0.067 10 0 "[    .    1    .    2    .]" 
       1 13 G   0.167 0.027 24 0 "[    .    1    .    2    .]" 
       1 14 C   0.160 0.022 23 0 "[    .    1    .    2    .]" 
       2  5 ASN 0.829 0.067 10 0 "[    .    1    .    2    .]" 
       2 14 LYS 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 16 PHE 0.154 0.036 14 0 "[    .    1    .    2    .]" 
       2 25 ALA 0.145 0.026 20 0 "[    .    1    .    2    .]" 
       2 32 ARG 1.368 0.099 24 0 "[    .    1    .    2    .]" 
       2 35 GLY 0.030 0.014  2 0 "[    .    1    .    2    .]" 
       2 37 TRP 0.905 0.078 15 0 "[    .    1    .    2    .]" 
       2 46 MET 0.494 0.046 21 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 10 G O6  2 37 TRP H    . . 2.000 2.035 1.959 2.078 0.078 15 0 "[    .    1    .    2    .]" 10 
        2 1 10 G O6  2 37 TRP N    . . 3.000 2.919 2.877 2.980     .  0 0 "[    .    1    .    2    .]" 10 
        3 1 10 G O6  2 46 MET H    . . 2.000 2.018 1.964 2.046 0.046 21 0 "[    .    1    .    2    .]" 10 
        4 1 10 G O6  2 46 MET N    . . 3.000 2.858 2.803 2.918     .  0 0 "[    .    1    .    2    .]" 10 
        5 1 10 G H1  2 35 GLY O    . . 2.000 1.939 1.806 2.014 0.014  2 0 "[    .    1    .    2    .]" 10 
        6 1 10 G N1  2 35 GLY O    . . 3.000 2.908 2.764 3.000     .  0 0 "[    .    1    .    2    .]" 10 
        7 1 12 G O6  2 25 ALA H    . . 2.000 1.962 1.821 2.026 0.026 20 0 "[    .    1    .    2    .]" 10 
        8 1 12 G O6  2 25 ALA N    . . 3.000 2.948 2.786 3.019 0.019  3 0 "[    .    1    .    2    .]" 10 
        9 1 12 G O6  2 16 PHE H    . . 2.000 1.925 1.760 2.036 0.036 14 0 "[    .    1    .    2    .]" 10 
       10 1 12 G O6  2 16 PHE N    . . 3.000 2.910 2.699 3.017 0.017 14 0 "[    .    1    .    2    .]" 10 
       11 1 12 G H1  2 14 LYS O    . . 2.000 1.806 1.766 1.936     .  0 0 "[    .    1    .    2    .]" 10 
       12 1 12 G N1  2 14 LYS O    . . 3.000 2.788 2.694 2.921     .  0 0 "[    .    1    .    2    .]" 10 
       13 1 14 C H42 2  5 ASN OD1  . . 2.000 1.977 1.818 2.022 0.022 23 0 "[    .    1    .    2    .]" 10 
       14 1 14 C N4  2  5 ASN OD1  . . 3.000 2.848 2.717 2.966     .  0 0 "[    .    1    .    2    .]" 10 
       15 1 13 G N7  2  5 ASN HD22 . . 2.000 1.970 1.791 2.027 0.027 24 0 "[    .    1    .    2    .]" 10 
       16 1 13 G N7  2  5 ASN ND2  . . 3.000 2.799 2.677 2.994     .  0 0 "[    .    1    .    2    .]" 10 
       17 1 12 G O2' 2  5 ASN HD21 . . 2.000 2.018 1.964 2.067 0.067 10 0 "[    .    1    .    2    .]" 10 
       18 1 12 G O2' 2  5 ASN ND2  . . 3.000 2.715 2.663 2.843     .  0 0 "[    .    1    .    2    .]" 10 
       19 1 11 A N1  2 32 ARG HE   . . 2.000 2.048 2.011 2.099 0.099 24 0 "[    .    1    .    2    .]" 10 
       20 1 11 A N1  2 32 ARG NE   . . 3.000 3.003 2.977 3.034 0.034 15 0 "[    .    1    .    2    .]" 10 
    stop_

save_


save_distance_constraint_statistics_11
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            11
    _Distance_constraint_stats_list.Constraint_count              12
    _Distance_constraint_stats_list.Viol_count                    59
    _Distance_constraint_stats_list.Viol_total                    29.012
    _Distance_constraint_stats_list.Viol_max                      0.070
    _Distance_constraint_stats_list.Viol_rms                      0.0111
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0039
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0197
    _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

       2  3 LYS 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2  4 GLY 0.039 0.012 13 0 "[    .    1    .    2    .]" 
       2  5 ASN 0.146 0.026  3 0 "[    .    1    .    2    .]" 
       2  6 PHE 0.374 0.035 17 0 "[    .    1    .    2    .]" 
       2  7 ARG 0.039 0.012 13 0 "[    .    1    .    2    .]" 
       2  8 ASN 0.747 0.070 24 0 "[    .    1    .    2    .]" 
       2  9 GLN 0.374 0.035 17 0 "[    .    1    .    2    .]" 
       2 10 ARG 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       2 11 LYS 0.602 0.070 24 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 2 3 LYS O 2  6 PHE H . . 2.000 1.868 1.807 1.978     .  0 0 "[    .    1    .    2    .]" 11 
        2 2 3 LYS O 2  6 PHE N . . 3.000 2.837 2.766 2.969     .  0 0 "[    .    1    .    2    .]" 11 
        3 2 4 GLY O 2  7 ARG H . . 2.000 1.890 1.797 2.012 0.012 13 0 "[    .    1    .    2    .]" 11 
        4 2 4 GLY O 2  7 ARG N . . 3.000 2.871 2.770 3.010 0.010 13 0 "[    .    1    .    2    .]" 11 
        5 2 5 ASN O 2  8 ASN H . . 2.000 1.991 1.825 2.026 0.026  3 0 "[    .    1    .    2    .]" 11 
        6 2 5 ASN O 2  8 ASN N . . 3.000 2.950 2.794 2.991     .  0 0 "[    .    1    .    2    .]" 11 
        7 2 6 PHE O 2  9 GLN H . . 2.000 1.999 1.845 2.035 0.035 17 0 "[    .    1    .    2    .]" 11 
        8 2 6 PHE O 2  9 GLN N . . 3.000 2.977 2.818 3.011 0.011  3 0 "[    .    1    .    2    .]" 11 
        9 2 7 ARG O 2 10 ARG H . . 2.000 1.779 1.745 1.838     .  0 0 "[    .    1    .    2    .]" 11 
       10 2 7 ARG O 2 10 ARG N . . 3.000 2.734 2.686 2.807     .  0 0 "[    .    1    .    2    .]" 11 
       11 2 8 ASN O 2 11 LYS H . . 2.000 1.961 1.833 2.070 0.070 24 0 "[    .    1    .    2    .]" 11 
       12 2 8 ASN O 2 11 LYS N . . 3.000 2.907 2.744 3.045 0.045 24 0 "[    .    1    .    2    .]" 11 
    stop_

save_


save_distance_constraint_statistics_12
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            12
    _Distance_constraint_stats_list.Constraint_count              6
    _Distance_constraint_stats_list.Viol_count                    103
    _Distance_constraint_stats_list.Viol_total                    47.097
    _Distance_constraint_stats_list.Viol_max                      0.058
    _Distance_constraint_stats_list.Viol_rms                      0.0129
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0126
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0183
    _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

       2 17 ASN 1.884 0.058  4 0 "[    .    1    .    2    .]" 
       2 28 CYS 0.474 0.025  3 0 "[    .    1    .    2    .]" 
       2 31 PRO 0.797 0.042 17 0 "[    .    1    .    2    .]" 
       2 33 LYS 0.613 0.058  4 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 2 17 ASN HD21 2 28 CYS SG . . 2.550 2.564 2.556 2.575 0.025  3 0 "[    .    1    .    2    .]" 12 
       2 2 17 ASN ND2  2 28 CYS SG . . 3.550 3.553 3.539 3.564 0.014 22 0 "[    .    1    .    2    .]" 12 
       3 2 17 ASN OD1  2 33 LYS H  . . 2.000 2.021 2.004 2.058 0.058  4 0 "[    .    1    .    2    .]" 12 
       4 2 17 ASN OD1  2 33 LYS N  . . 3.000 2.999 2.981 3.024 0.024  4 0 "[    .    1    .    2    .]" 12 
       5 2 17 ASN HD22 2 31 PRO O  . . 2.000 2.032 2.020 2.042 0.042 17 0 "[    .    1    .    2    .]" 12 
       6 2 17 ASN ND2  2 31 PRO O  . . 3.000 2.971 2.956 2.987     .  0 0 "[    .    1    .    2    .]" 12 
    stop_

save_


save_distance_constraint_statistics_13
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            13
    _Distance_constraint_stats_list.Constraint_count              42
    _Distance_constraint_stats_list.Viol_count                    106
    _Distance_constraint_stats_list.Viol_total                    21.954
    _Distance_constraint_stats_list.Viol_max                      0.036
    _Distance_constraint_stats_list.Viol_rms                      0.0033
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0008
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0083
    _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 G 0.014 0.014  9 0 "[    .    1    .    2    .]" 
       1  2 G 0.021 0.007 25 0 "[    .    1    .    2    .]" 
       1  3 A 0.006 0.004 10 0 "[    .    1    .    2    .]" 
       1  4 C 0.181 0.012 25 0 "[    .    1    .    2    .]" 
       1  5 U 0.020 0.007 22 0 "[    .    1    .    2    .]" 
       1  6 A 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1  7 G 0.336 0.029 18 0 "[    .    1    .    2    .]" 
       1  8 C 0.300 0.036 15 0 "[    .    1    .    2    .]" 
       1 13 G 0.300 0.036 15 0 "[    .    1    .    2    .]" 
       1 14 C 0.336 0.029 18 0 "[    .    1    .    2    .]" 
       1 15 U 0.000 0.000  . 0 "[    .    1    .    2    .]" 
       1 16 A 0.020 0.007 22 0 "[    .    1    .    2    .]" 
       1 17 G 0.181 0.012 25 0 "[    .    1    .    2    .]" 
       1 18 U 0.006 0.004 10 0 "[    .    1    .    2    .]" 
       1 19 C 0.021 0.007 25 0 "[    .    1    .    2    .]" 
       1 20 C 0.014 0.014  9 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 G H1  1 20 C N3  . . 2.000 1.897 1.813 1.991     .  0 0 "[    .    1    .    2    .]" 13 
        2 1 1 G N1  1 20 C N3  . . 3.000 2.814 2.744 2.893     .  0 0 "[    .    1    .    2    .]" 13 
        3 1 1 G H21 1 20 C O2  . . 2.000 1.914 1.815 2.014 0.014  9 0 "[    .    1    .    2    .]" 13 
        4 1 1 G N2  1 20 C O2  . . 3.000 2.845 2.749 2.951     .  0 0 "[    .    1    .    2    .]" 13 
        5 1 1 G O6  1 20 C H41 . . 2.000 1.954 1.828 2.000     . 15 0 "[    .    1    .    2    .]" 13 
        6 1 1 G O6  1 20 C N4  . . 3.000 2.833 2.690 2.974     .  0 0 "[    .    1    .    2    .]" 13 
        7 1 2 G H1  1 19 C N3  . . 2.000 1.834 1.796 1.910     .  0 0 "[    .    1    .    2    .]" 13 
        8 1 2 G N1  1 19 C N3  . . 3.000 2.765 2.694 2.822     .  0 0 "[    .    1    .    2    .]" 13 
        9 1 2 G H21 1 19 C O2  . . 2.000 1.982 1.874 2.007 0.007 25 0 "[    .    1    .    2    .]" 13 
       10 1 2 G N2  1 19 C O2  . . 3.000 2.799 2.697 2.911     .  0 0 "[    .    1    .    2    .]" 13 
       11 1 2 G O6  1 19 C H41 . . 2.000 1.986 1.959 2.006 0.006 25 0 "[    .    1    .    2    .]" 13 
       12 1 2 G O6  1 19 C N4  . . 3.000 2.927 2.855 2.979     .  0 0 "[    .    1    .    2    .]" 13 
       13 1 3 A N1  1 18 U H3  . . 2.000 1.917 1.798 2.004 0.004 10 0 "[    .    1    .    2    .]" 13 
       14 1 3 A N1  1 18 U N3  . . 3.000 2.879 2.770 2.983     .  0 0 "[    .    1    .    2    .]" 13 
       15 1 3 A H61 1 18 U O4  . . 2.000 1.924 1.802 1.998     .  0 0 "[    .    1    .    2    .]" 13 
       16 1 3 A N6  1 18 U O4  . . 3.000 2.899 2.773 2.981     .  0 0 "[    .    1    .    2    .]" 13 
       17 1 4 C N3  1 17 G H1  . . 2.000 1.792 1.779 1.828     .  0 0 "[    .    1    .    2    .]" 13 
       18 1 4 C N3  1 17 G N1  . . 3.000 2.718 2.694 2.746     .  0 0 "[    .    1    .    2    .]" 13 
       19 1 4 C O2  1 17 G H21 . . 2.000 1.998 1.975 2.012 0.012 25 0 "[    .    1    .    2    .]" 13 
       20 1 4 C O2  1 17 G N2  . . 3.000 2.721 2.685 2.782     .  0 0 "[    .    1    .    2    .]" 13 
       21 1 4 C H41 1 17 G O6  . . 2.000 2.002 1.980 2.010 0.010 15 0 "[    .    1    .    2    .]" 13 
       22 1 4 C N4  1 17 G O6  . . 3.000 2.952 2.871 3.001 0.001 12 0 "[    .    1    .    2    .]" 13 
       23 1 5 U H3  1 16 A N1  . . 2.000 1.882 1.793 2.007 0.007  7 0 "[    .    1    .    2    .]" 13 
       24 1 5 U N3  1 16 A N1  . . 3.000 2.743 2.692 2.828     .  0 0 "[    .    1    .    2    .]" 13 
       25 1 5 U O4  1 16 A H61 . . 2.000 1.892 1.799 2.007 0.007 22 0 "[    .    1    .    2    .]" 13 
       26 1 5 U O4  1 16 A N6  . . 3.000 2.783 2.689 2.934     .  0 0 "[    .    1    .    2    .]" 13 
       27 1 6 A N1  1 15 U H3  . . 2.000 1.870 1.793 1.967     .  0 0 "[    .    1    .    2    .]" 13 
       28 1 6 A N1  1 15 U N3  . . 3.000 2.697 2.685 2.747     .  0 0 "[    .    1    .    2    .]" 13 
       29 1 6 A H61 1 15 U O4  . . 2.000 1.883 1.793 1.990     .  0 0 "[    .    1    .    2    .]" 13 
       30 1 6 A N6  1 15 U O4  . . 3.000 2.816 2.742 2.927     .  0 0 "[    .    1    .    2    .]" 13 
       31 1 7 G H1  1 14 C N3  . . 2.000 1.959 1.858 2.014 0.014 24 0 "[    .    1    .    2    .]" 13 
       32 1 7 G N1  1 14 C N3  . . 3.000 2.788 2.714 2.877     .  0 0 "[    .    1    .    2    .]" 13 
       33 1 7 G H21 1 14 C O2  . . 2.000 2.008 1.969 2.029 0.029 18 0 "[    .    1    .    2    .]" 13 
       34 1 7 G N2  1 14 C O2  . . 3.000 2.734 2.678 2.824     .  0 0 "[    .    1    .    2    .]" 13 
       35 1 7 G O6  1 14 C H41 . . 2.000 1.966 1.798 2.013 0.013 23 0 "[    .    1    .    2    .]" 13 
       36 1 7 G O6  1 14 C N4  . . 3.000 2.823 2.695 2.949     .  0 0 "[    .    1    .    2    .]" 13 
       37 1 8 C N3  1 13 G H1  . . 2.000 1.920 1.800 2.021 0.021 19 0 "[    .    1    .    2    .]" 13 
       38 1 8 C N3  1 13 G N1  . . 3.000 2.753 2.690 2.853     .  0 0 "[    .    1    .    2    .]" 13 
       39 1 8 C O2  1 13 G H21 . . 2.000 1.911 1.790 2.036 0.036 15 0 "[    .    1    .    2    .]" 13 
       40 1 8 C O2  1 13 G N2  . . 3.000 2.781 2.680 2.951     .  0 0 "[    .    1    .    2    .]" 13 
       41 1 8 C H41 1 13 G O6  . . 2.000 1.983 1.795 2.029 0.029 25 0 "[    .    1    .    2    .]" 13 
       42 1 8 C N4  1 13 G O6  . . 3.000 2.733 2.670 2.893     .  0 0 "[    .    1    .    2    .]" 13 
    stop_

save_



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