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
468163 149d cing 4-filtered-FRED Wattos check violation distance


data_149d


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              211
    _Distance_constraint_stats_list.Viol_count                    1011
    _Distance_constraint_stats_list.Viol_total                    4484.437
    _Distance_constraint_stats_list.Viol_max                      1.644
    _Distance_constraint_stats_list.Viol_rms                      0.2380
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.1084
    _Distance_constraint_stats_list.Viol_average_violations_only  0.3168
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       
;
Description of the tags in this list:
*  1 * Administrative tag
*  2 * Administrative tag
*  3 * Administrative tag
*  4 * ID of the restraint list.                                                              
*  5 * Number of restraints in list.                                                          
*  6 * Number of violated restraints (each model violation is used).                          
*  7 * Sum of violations in Angstrom.                                                         
*  8 * Maximum violation of a restraint without averaging in any way.                         
*  9 * Rms of violations over all restraints.                                                 
*  10 * Average violation over all restraints.                                                 
*  11 * Average violation over violated restraints.                                            
           This violation is averaged over only those models in which the restraint is violated.   
           These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).     
*  12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
*  13 * This tag                                                                               

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

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


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

       1 1 DC  7.781 0.649  9 10 "[    **-*+*****]" 
       1 2 DC 14.083 0.649  9 10 "[    **-*+*****]" 
       1 3 DT  8.881 0.489  2  0 "[    .    1    ]" 
       1 4 DA 26.273 1.196 14 14  [******-******+]  
       1 5 DT 34.636 1.196 14 14  [*************+]  
       1 6 DT 17.176 1.089 12  7 "[    * *  **+*-]" 
       1 7 DC  3.371 0.483  2  0 "[    .    1    ]" 
       2 1 DG 11.399 0.398  6  0 "[    .    1    ]" 
       2 2 DA 12.836 0.452  2  0 "[    .    1    ]" 
       2 3 DA 51.544 1.644  6 14  [*****+******-*]  
       2 4 DT 64.948 1.644  6 14  [*****+******-*]  
       2 5 DA 17.195 0.690  6 14  [*****+****-***]  
       2 6 DG 24.504 0.700 12 14  [**********-+**]  
       2 7 DG 18.779 0.923 14 14  [**********-**+]  
       3 1 DC 30.590 1.268  9 14  [********+*****]  
       3 2 DT 49.125 1.268  9 14  [********+*****]  
       3 3 DT 47.137 1.133 14 14  [********-****+]  
       3 4 DG 51.519 1.408  1 14  [+****-********]  
       3 5 DT 36.348 1.408  1 14  [+****-********]  
       3 6 DC 10.929 0.752 12 14  [*********-*+**]  
       3 7 DC  7.668 0.352  1  0 "[    .    1    ]" 
    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 DC Q2'  1 1 DC H3'  2.330 2.130 2.630 2.217 2.186 2.250     .  0  0 "[    .    1    ]" 1 
         2 1 1 DC H1'  1 1 DC H3'  3.400 3.000 3.900 3.811 3.668 3.934 0.034  6  0 "[    .    1    ]" 1 
         3 1 1 DC H1'  1 1 DC Q2'  2.220 2.020 2.520 2.171 2.155 2.199     .  0  0 "[    .    1    ]" 1 
         4 1 1 DC H1'  1 1 DC H6   3.120 2.720 3.620 3.643 3.611 3.672 0.052  5  0 "[    .    1    ]" 1 
         5 1 1 DC Q2'  1 2 DC H5   3.020 2.620 3.520 2.828 2.766 2.880     .  0  0 "[    .    1    ]" 1 
         6 1 1 DC Q2'  1 2 DC H6   2.490 2.290 2.790 2.458 2.423 2.477     .  0  0 "[    .    1    ]" 1 
         7 1 1 DC H3'  1 2 DC H5   4.320 3.720 5.020 5.546 5.348 5.669 0.649  9 10 "[    **-*+*****]" 1 
         8 1 1 DC H1'  1 2 DC H6   2.980 2.580 3.480 3.141 3.067 3.258     .  0  0 "[    .    1    ]" 1 
         9 1 1 DC H6   1 2 DC H5   3.760 3.160 4.460 3.820 3.696 4.053     .  0  0 "[    .    1    ]" 1 
        10 1 2 DC H2'' 1 2 DC H6   3.090 2.690 3.590 3.875 3.858 3.911 0.321  1  0 "[    .    1    ]" 1 
        11 1 2 DC H1'  1 2 DC H6   3.560 3.160 4.060 3.653 3.609 3.706     .  0  0 "[    .    1    ]" 1 
        12 1 2 DC H2'' 1 3 DT M7   3.590 3.190 4.390 3.408 3.088 3.640 0.102  4  0 "[    .    1    ]" 1 
        13 1 2 DC H2'' 1 3 DT H6   2.690 2.490 2.990 2.715 2.658 2.802     .  0  0 "[    .    1    ]" 1 
        14 1 2 DC H5   1 3 DT M7   3.540 3.140 4.340 3.140 2.651 3.467 0.489  2  0 "[    .    1    ]" 1 
        15 1 2 DC H6   1 3 DT M7   3.300 2.900 4.100 2.904 2.644 3.213 0.256 13  0 "[    .    1    ]" 1 
        16 1 3 DT H1'  1 3 DT H3'  3.350 2.950 3.850 3.903 3.859 3.935 0.085 14  0 "[    .    1    ]" 1 
        17 1 3 DT H1'  1 3 DT H2'' 2.380 2.180 2.680 2.357 2.335 2.410     .  0  0 "[    .    1    ]" 1 
        18 1 3 DT H2'  1 3 DT H6   2.250 2.050 2.550 2.280 2.214 2.325     .  0  0 "[    .    1    ]" 1 
        19 1 3 DT H2'' 1 3 DT H6   2.880 2.480 3.380 3.765 3.723 3.793 0.413  5  0 "[    .    1    ]" 1 
        20 1 3 DT H1'  1 4 DA H8   3.590 3.190 4.090 3.968 3.841 4.100 0.010  3  0 "[    .    1    ]" 1 
        21 1 3 DT H6   1 4 DA H8   4.180 3.580 4.880 4.409 4.301 4.514     .  0  0 "[    .    1    ]" 1 
        22 1 3 DT M7   3 3 DT M7   4.600     . 5.500 3.401 3.032 3.783     .  0  0 "[    .    1    ]" 1 
        23 1 4 DA H1'  1 4 DA H3'  3.760 3.160 4.460 3.890 3.856 3.932     .  0  0 "[    .    1    ]" 1 
        24 1 4 DA H1'  1 4 DA Q2'  2.270 2.070 2.570 2.214 2.190 2.228     .  0  0 "[    .    1    ]" 1 
        25 1 4 DA H1'  1 4 DA H2   4.690 4.220 5.160 4.717 4.653 4.786     .  0  0 "[    .    1    ]" 1 
        26 1 4 DA H1'  1 4 DA H8   3.750 3.150 4.450 3.803 3.753 3.852     .  0  0 "[    .    1    ]" 1 
        27 1 4 DA H4'  1 4 DA H8   4.520 3.920 5.220 4.628 4.565 4.705     .  0  0 "[    .    1    ]" 1 
        28 1 4 DA Q2'  1 5 DT M7   3.560 3.160 4.320 2.086 1.964 2.249 1.196 14 14  [******-******+]  1 
        29 1 4 DA Q2'  1 5 DT H6   2.690 2.490 2.890 2.393 2.373 2.406 0.117 11  0 "[    .    1    ]" 1 
        30 1 4 DA H3'  1 5 DT H6   3.580 3.180 4.080 4.483 4.347 4.542 0.462 13  0 "[    .    1    ]" 1 
        31 1 4 DA H3'  1 5 DT M7   3.540 3.140 4.340 3.558 3.341 3.670     .  0  0 "[    .    1    ]" 1 
        32 1 4 DA H1'  1 5 DT H6   4.020 3.420 4.720 4.586 4.515 4.651     .  0  0 "[    .    1    ]" 1 
        33 1 4 DA H1'  1 5 DT M7   4.260 3.660 5.260 4.455 4.308 4.640     .  0  0 "[    .    1    ]" 1 
        34 1 4 DA H2   1 5 DT H1'  3.860 3.470 4.250 4.147 4.049 4.269 0.019  4  0 "[    .    1    ]" 1 
        35 1 4 DA H8   1 5 DT H6   4.600 4.000 5.300 5.476 5.328 5.587 0.287  5  0 "[    .    1    ]" 1 
        36 1 4 DA H8   1 5 DT M7   3.540 3.140 4.340 3.095 2.947 3.274 0.193 10  0 "[    .    1    ]" 1 
        37 1 4 DA H2   2 3 DA H2   4.150 3.730 4.570 4.578 4.371 4.802 0.232 11  0 "[    .    1    ]" 1 
        38 1 4 DA H1'  2 5 DA H2   3.550 3.190 3.910 3.597 3.527 3.685     .  0  0 "[    .    1    ]" 1 
        39 1 4 DA H2   2 5 DA H2   4.250 3.820 4.680 4.234 4.130 4.398     .  0  0 "[    .    1    ]" 1 
        40 1 4 DA H2   2 5 DA H1'  3.390 3.050 3.730 3.541 3.454 3.633     .  0  0 "[    .    1    ]" 1 
        41 1 5 DT H1'  1 5 DT H2'' 2.260 2.060 2.560 2.279 2.264 2.298     .  0  0 "[    .    1    ]" 1 
        42 1 5 DT H3'  1 5 DT H6   3.100 2.700 3.600 3.398 3.325 3.478     .  0  0 "[    .    1    ]" 1 
        43 1 5 DT H1'  1 5 DT H6   3.540 3.140 4.040 3.692 3.651 3.721     .  0  0 "[    .    1    ]" 1 
        44 1 5 DT H2'' 1 5 DT H6   2.940 2.540 3.640 3.874 3.844 3.897 0.257  5  0 "[    .    1    ]" 1 
        45 1 5 DT H4'  1 5 DT H6   3.740 3.140 4.440 4.338 4.298 4.439     .  0  0 "[    .    1    ]" 1 
        46 1 5 DT H2'  1 5 DT H6   2.350 2.150 2.650 2.396 2.369 2.426     .  0  0 "[    .    1    ]" 1 
        47 1 5 DT H2'' 1 6 DT M7   3.140 2.740 3.940 3.292 2.991 3.511     .  0  0 "[    .    1    ]" 1 
        48 1 5 DT H1'  1 6 DT H6   3.550 3.150 4.050 4.428 4.315 4.585 0.535 14  1 "[    .    1   +]" 1 
        49 1 5 DT H1'  1 6 DT M7   4.330 3.730 5.330 4.394 4.166 4.559     .  0  0 "[    .    1    ]" 1 
        50 1 5 DT H6   1 6 DT M7   3.130 2.730 3.930 2.756 2.458 2.891 0.272 10  0 "[    .    1    ]" 1 
        51 1 6 DT H3'  1 6 DT M7   3.440 3.040 4.240 4.811 4.461 5.329 1.089 12  7 "[    * *  *-+**]" 1 
        52 1 6 DT M7   1 7 DC H5   3.830 3.230 4.830 3.432 3.248 3.741     .  0  0 "[    .    1    ]" 1 
        53 1 6 DT H2'' 1 7 DC H5   3.170 2.770 3.670 3.911 3.671 4.153 0.483  2  0 "[    .    1    ]" 1 
        54 1 6 DT H6   1 7 DC H5   3.520 3.120 4.020 3.713 3.563 3.834     .  0  0 "[    .    1    ]" 1 
        55 2 1 DG H2'' 2 1 DG H3'  2.410 2.210 2.710 2.775 2.711 2.807 0.097  4  0 "[    .    1    ]" 1 
        56 2 1 DG H1'  2 1 DG H2'' 2.480 2.280 2.780 2.429 2.386 2.465     .  0  0 "[    .    1    ]" 1 
        57 2 1 DG H1'  2 1 DG H2'  2.530 2.330 2.830 2.935 2.912 2.958 0.128  5  0 "[    .    1    ]" 1 
        58 2 1 DG H1'  2 1 DG H3'  3.470 3.070 3.970 3.880 3.813 3.936     .  0  0 "[    .    1    ]" 1 
        59 2 1 DG H2'  2 1 DG H8   2.380 2.180 2.680 2.498 2.457 2.529     .  0  0 "[    .    1    ]" 1 
        60 2 1 DG H3'  2 1 DG H8   3.480 3.080 3.980 4.022 3.903 4.157 0.177 13  0 "[    .    1    ]" 1 
        61 2 1 DG H2'' 2 1 DG H8   3.200 2.800 3.700 4.002 3.953 4.031 0.331  1  0 "[    .    1    ]" 1 
        62 2 1 DG H2'  2 2 DA H8   2.700 2.300 3.200 2.799 2.758 2.858     .  0  0 "[    .    1    ]" 1 
        63 2 1 DG H2'' 2 2 DA H8   2.800 2.400 3.300 2.936 2.881 3.010     .  0  0 "[    .    1    ]" 1 
        64 2 1 DG H3'  2 2 DA H8   3.740 3.140 4.440 4.727 4.568 4.838 0.398  6  0 "[    .    1    ]" 1 
        65 2 1 DG H8   3 2 DT H1'  4.790 4.190 5.490 4.770 4.495 5.115     .  0  0 "[    .    1    ]" 1 
        66 2 2 DA H2'  2 2 DA H3'  2.270 2.070 2.570 2.354 2.322 2.403     .  0  0 "[    .    1    ]" 1 
        67 2 2 DA H3'  2 2 DA H4'  2.360 2.160 2.660 2.636 2.608 2.657     .  0  0 "[    .    1    ]" 1 
        68 2 2 DA H2'' 2 2 DA H3'  2.620 2.420 2.920 2.877 2.807 2.915     .  0  0 "[    .    1    ]" 1 
        69 2 2 DA H1'  2 2 DA H3'  3.620 3.020 4.320 3.879 3.847 3.925     .  0  0 "[    .    1    ]" 1 
        70 2 2 DA H1'  2 2 DA H2'' 2.390 2.190 2.690 2.493 2.429 2.538     .  0  0 "[    .    1    ]" 1 
        71 2 2 DA H3'  2 2 DA H8   3.800 3.200 4.500 4.442 4.318 4.603 0.103  3  0 "[    .    1    ]" 1 
        72 2 2 DA H2'  2 2 DA H8   2.480 2.280 2.700 2.633 2.601 2.673     .  0  0 "[    .    1    ]" 1 
        73 2 2 DA H2'' 2 2 DA H8   3.260 2.860 3.760 4.016 3.966 4.069 0.309 13  0 "[    .    1    ]" 1 
        74 2 2 DA H2'  2 3 DA H8   2.900 2.500 3.400 3.042 2.988 3.143     .  0  0 "[    .    1    ]" 1 
        75 2 2 DA H2'' 2 3 DA H8   2.470 2.270 2.770 2.560 2.501 2.621     .  0  0 "[    .    1    ]" 1 
        76 2 2 DA H3'  2 3 DA H8   3.800 3.200 4.500 4.836 4.639 4.952 0.452  2  0 "[    .    1    ]" 1 
        77 2 2 DA H2   2 3 DA H2   3.860 3.470 4.250 4.103 4.006 4.195     .  0  0 "[    .    1    ]" 1 
        78 2 2 DA H8   2 3 DA H8   3.910 3.310 4.610 4.560 4.295 4.727 0.117 11  0 "[    .    1    ]" 1 
        79 2 3 DA Q2'  2 3 DA H3'  2.290 2.200 2.590 2.170 2.143 2.197 0.057  4  0 "[    .    1    ]" 1 
        80 2 3 DA H1'  2 3 DA H3'  3.430 3.030 3.930 3.818 3.776 3.855     .  0  0 "[    .    1    ]" 1 
        81 2 3 DA Q2'  2 3 DA H8   2.540 2.360 2.840 2.449 2.428 2.472     .  0  0 "[    .    1    ]" 1 
        82 2 3 DA H3'  2 3 DA H8   3.760 3.160 4.460 4.028 3.909 4.201     .  0  0 "[    .    1    ]" 1 
        83 2 3 DA Q2'  2 4 DT M7   4.230 3.630 5.230 2.126 1.986 2.419 1.644  6 14  [*****+***-****]  1 
        84 2 3 DA Q2'  2 4 DT H6   2.590 2.390 2.890 2.441 2.402 2.462     .  0  0 "[    .    1    ]" 1 
        85 2 3 DA H4'  2 4 DT H6   4.560 3.960 5.260 5.545 5.311 5.779 0.519 11  1 "[    .    1+   ]" 1 
        86 2 3 DA H3'  2 4 DT M7   4.750 4.150 5.750 4.099 3.915 4.420 0.235  4  0 "[    .    1    ]" 1 
        87 2 3 DA H3'  2 4 DT H6   3.830 3.230 4.530 5.096 5.005 5.202 0.672  5 13 "[****+***** *-*]" 1 
        88 2 3 DA H1'  2 4 DT H6   4.270 3.670 4.970 4.281 4.163 4.471     .  0  0 "[    .    1    ]" 1 
        89 2 3 DA H8   2 4 DT H6   4.450 3.850 5.150 5.502 5.208 5.740 0.590  8  2 "[    . -+ 1    ]" 1 
        90 2 3 DA H8   2 4 DT M7   3.450 3.050 4.250 2.915 2.662 3.343 0.388  1  0 "[    .    1    ]" 1 
        91 2 3 DA H2   2 4 DT H1'  4.060 3.650 4.470 4.747 4.511 5.111 0.641  8  1 "[    .  + 1    ]" 1 
        92 2 3 DA H8   3 4 DG H1'  4.480 3.880 5.180 4.338 4.214 4.543     .  0  0 "[    .    1    ]" 1 
        93 2 4 DT H2'  2 4 DT H3'  2.330 2.130 2.630 2.381 2.346 2.427     .  0  0 "[    .    1    ]" 1 
        94 2 4 DT H1'  2 4 DT H3'  3.450 3.050 3.950 3.957 3.920 3.999 0.049  4  0 "[    .    1    ]" 1 
        95 2 4 DT H3'  2 4 DT H6   3.430 3.030 3.930 3.610 3.550 3.666     .  0  0 "[    .    1    ]" 1 
        96 2 4 DT H4'  2 4 DT H6   3.550 3.150 4.050 4.189 4.115 4.282 0.232 13  0 "[    .    1    ]" 1 
        97 2 4 DT H2'' 2 4 DT H6   2.750 2.150 3.450 3.699 3.656 3.726 0.276  1  0 "[    .    1    ]" 1 
        98 2 4 DT H1'  2 4 DT H6   3.580 3.180 4.080 3.604 3.570 3.639     .  0  0 "[    .    1    ]" 1 
        99 2 4 DT M7   3 4 DG H1'  2.950 2.550 3.450 2.849 2.571 3.207     .  0  0 "[    .    1    ]" 1 
       100 2 4 DT M7   3 4 DG Q2'  4.670 4.450 5.370 3.512 3.290 3.771 1.160 13 14  [**-*********+*]  1 
       101 2 4 DT M7   3 5 DT H6   4.630 4.030 5.330 4.002 3.814 4.153 0.216 13  0 "[    .    1    ]" 1 
       102 2 4 DT H6   3 5 DT H1'  4.380 3.780 5.080 4.907 4.548 5.046     .  0  0 "[    .    1    ]" 1 
       103 2 4 DT M7   3 5 DT M7   4.600     . 5.500 3.809 3.563 3.944     .  0  0 "[    .    1    ]" 1 
       104 2 5 DA H2'' 2 5 DA H4'  4.220 3.620 4.920 3.769 3.748 3.799     .  0  0 "[    .    1    ]" 1 
       105 2 5 DA H2'  2 5 DA H4'  3.920 3.320 4.620 4.071 4.056 4.090     .  0  0 "[    .    1    ]" 1 
       106 2 5 DA H1'  2 5 DA H2'' 2.470 2.270 2.770 2.436 2.414 2.457     .  0  0 "[    .    1    ]" 1 
       107 2 5 DA H1'  2 5 DA H4'  2.810 2.410 3.310 2.950 2.899 3.007     .  0  0 "[    .    1    ]" 1 
       108 2 5 DA H1'  2 5 DA H2   4.690 4.220 5.160 4.556 4.428 4.652     .  0  0 "[    .    1    ]" 1 
       109 2 5 DA H2'' 2 5 DA H8   3.300 2.900 3.800 4.285 4.235 4.323 0.523 12  3 "[    .   *1-+  ]" 1 
       110 2 5 DA H1'  2 5 DA H8   3.520 3.120 4.020 3.738 3.691 3.787     .  0  0 "[    .    1    ]" 1 
       111 2 5 DA H2'  2 6 DG H8   2.370 2.170 2.670 2.572 2.538 2.607     .  0  0 "[    .    1    ]" 1 
       112 2 5 DA H2'' 2 6 DG H8   2.730 2.330 3.230 2.763 2.708 2.820     .  0  0 "[    .    1    ]" 1 
       113 2 5 DA H3'  2 6 DG H8   3.480 3.080 3.980 4.582 4.503 4.670 0.690  6 14  [*****+**-*****]  1 
       114 2 5 DA H1'  2 6 DG H8   3.730 3.130 4.430 4.571 4.461 4.656 0.226 14  0 "[    .    1    ]" 1 
       115 2 5 DA H2   2 6 DG H1'  4.270 3.840 4.700 4.141 4.000 4.506     .  0  0 "[    .    1    ]" 1 
       116 2 6 DG Q2'  2 6 DG H3'  2.490 2.290 2.700 2.180 2.133 2.223 0.157  8  0 "[    .    1    ]" 1 
       117 2 6 DG H1'  2 6 DG H4'  2.710 2.310 3.210 2.802 2.780 2.831     .  0  0 "[    .    1    ]" 1 
       118 2 6 DG H1'  2 6 DG Q2'  2.470 2.270 2.770 2.366 2.351 2.388     .  0  0 "[    .    1    ]" 1 
       119 2 6 DG H1'  2 6 DG H3'  3.480 3.080 3.980 3.929 3.882 3.970     .  0  0 "[    .    1    ]" 1 
       120 2 6 DG H3'  2 6 DG H8   3.550 3.150 4.050 3.922 3.716 4.074 0.024  2  0 "[    .    1    ]" 1 
       121 2 6 DG H4'  2 6 DG H8   4.020 3.420 4.720 4.763 4.663 4.809 0.089  5  0 "[    .    1    ]" 1 
       122 2 6 DG Q2'  2 6 DG H8       . 2.530 2.690 2.457 2.418 2.492 0.112 14  0 "[    .    1    ]" 1 
       123 2 6 DG H1'  2 6 DG H8   3.630 3.030 4.330 3.827 3.783 3.871     .  0  0 "[    .    1    ]" 1 
       124 2 6 DG Q2'  2 7 DG H8   2.330 2.130 2.630 2.174 2.148 2.206     .  0  0 "[    .    1    ]" 1 
       125 2 6 DG H3'  2 7 DG H8   3.360 2.960 3.860 4.297 4.002 4.560 0.700 12  7 "[    .  ***-+**]" 1 
       126 2 6 DG H1'  2 7 DG H8   3.470 3.070 3.970 4.305 3.970 4.578 0.608  1  7 "[+****-*  1    ]" 1 
       127 2 6 DG H8   3 7 DC H1'  4.380 3.780 5.080 4.858 4.628 5.059     .  0  0 "[    .    1    ]" 1 
       128 2 7 DG Q2'  2 7 DG H3'  2.540 2.340 2.700 2.208 2.152 2.265 0.188 10  0 "[    .    1    ]" 1 
       129 2 7 DG H1'  2 7 DG H3'  3.270 2.870 3.770 3.841 3.687 3.890 0.120  9  0 "[    .    1    ]" 1 
       130 2 7 DG H1'  2 7 DG Q2'  2.530 2.330 2.830 2.222 2.156 2.263 0.174 10  0 "[    .    1    ]" 1 
       131 2 7 DG H3'  2 7 DG H8   3.130 2.730 3.630 3.847 3.336 4.553 0.923 14  2 "[ -  .    1   +]" 1 
       132 3 1 DC H1'  3 1 DC Q2'  2.300 2.100 2.600 2.235 2.200 2.263     .  0  0 "[    .    1    ]" 1 
       133 3 1 DC H4'  3 1 DC H6   3.780 3.180 4.480 4.371 4.259 4.510 0.030  7  0 "[    .    1    ]" 1 
       134 3 1 DC Q2'  3 1 DC H6       . 2.650 2.660 2.396 2.347 2.438 0.303  8  0 "[    .    1    ]" 1 
       135 3 1 DC H1'  3 1 DC H6   3.580 3.180 4.080 3.715 3.682 3.747     .  0  0 "[    .    1    ]" 1 
       136 3 1 DC H3'  3 1 DC H6   3.360 2.960 3.860 3.889 3.510 4.117 0.257 13  0 "[    .    1    ]" 1 
       137 3 1 DC Q2'  3 2 DT M7   3.840 3.240 3.900 2.090 1.972 2.306 1.268  9 14  [*-******+*****]  1 
       138 3 1 DC Q2'  3 2 DT H6   2.770 2.370 3.270 2.592 2.533 2.639     .  0  0 "[    .    1    ]" 1 
       139 3 1 DC H3'  3 2 DT H6   3.860 3.260 4.560 5.034 4.624 5.277 0.717  7  9 "[    .*+*-*****]" 1 
       140 3 1 DC H1'  3 2 DT H6   3.530 3.130 4.030 4.167 3.619 4.654 0.624  1  2 "[+-  .    1    ]" 1 
       141 3 1 DC H6   3 2 DT M7   3.540 3.140 4.340 3.440 3.089 3.828 0.051 10  0 "[    .    1    ]" 1 
       142 3 2 DT Q2'  3 2 DT H3'  2.220 2.020 2.520 2.159 2.125 2.186     .  0  0 "[    .    1    ]" 1 
       143 3 2 DT H1'  3 2 DT H3'  3.400 3.000 3.900 3.842 3.797 3.893     .  0  0 "[    .    1    ]" 1 
       144 3 2 DT H1'  3 2 DT Q2'      . 2.490 2.540 2.226 2.194 2.244 0.296  3  0 "[    .    1    ]" 1 
       145 3 2 DT H4'  3 2 DT H6   3.680 3.080 4.380 4.376 4.294 4.448 0.068  6  0 "[    .    1    ]" 1 
       146 3 2 DT H1'  3 2 DT H6   3.860 3.260 4.560 3.668 3.642 3.697     .  0  0 "[    .    1    ]" 1 
       147 3 2 DT Q2'  3 2 DT H6   2.200     . 2.500 2.158 2.136 2.192     .  0  0 "[    .    1    ]" 1 
       148 3 2 DT Q2'  3 3 DT M7   3.570 3.170 4.370 2.209 2.037 2.399 1.133 14 14  [***********-*+]  1 
       149 3 2 DT Q2'  3 3 DT H6   3.180 2.780 3.210 2.739 2.690 2.807 0.090  4  0 "[    .    1    ]" 1 
       150 3 2 DT H3'  3 3 DT M7   3.920 3.320 4.920 4.151 3.953 4.489     .  0  0 "[    .    1    ]" 1 
       151 3 2 DT H3'  3 3 DT H6   4.220 3.620 4.920 5.173 4.984 5.304 0.384 12  0 "[    .    1    ]" 1 
       152 3 2 DT H1'  3 3 DT M7   4.580 3.980 5.580 4.109 3.890 4.288 0.090  3  0 "[    .    1    ]" 1 
       153 3 2 DT H1'  3 3 DT H6   3.990 3.390 4.690 4.573 4.407 4.722 0.032  6  0 "[    .    1    ]" 1 
       154 3 2 DT H6   3 3 DT H6   4.600 4.000 5.300 5.359 5.219 5.526 0.226 10  0 "[    .    1    ]" 1 
       155 3 2 DT H6   3 3 DT M7   3.450 3.050 4.250 3.034 2.738 3.324 0.312  8  0 "[    .    1    ]" 1 
       156 3 3 DT H3'  3 3 DT M7   4.040 3.440 5.040 5.897 5.764 6.016 0.976  6 14  [*****+****-***]  1 
       157 3 3 DT H2'  3 3 DT H3'  2.370 2.170 2.670 2.439 2.391 2.475     .  0  0 "[    .    1    ]" 1 
       158 3 3 DT H1'  3 3 DT H2'' 2.280 2.080 2.580 2.441 2.410 2.471     .  0  0 "[    .    1    ]" 1 
       159 3 3 DT H1'  3 3 DT H2'  2.970 2.570 3.470 3.095 3.070 3.117     .  0  0 "[    .    1    ]" 1 
       160 3 3 DT H1'  3 3 DT H6   3.350 3.070 3.850 3.763 3.719 3.821     .  0  0 "[    .    1    ]" 1 
       161 3 3 DT H2'  3 3 DT H6   2.220 2.020 2.520 2.152 2.108 2.183     .  0  0 "[    .    1    ]" 1 
       162 3 3 DT H2'' 3 3 DT H6   2.800 2.400 3.300 3.470 3.377 3.552 0.252  9  0 "[    .    1    ]" 1 
       163 3 3 DT H4'  3 3 DT H6   4.060 3.460 4.760 4.947 4.798 5.049 0.289 12  0 "[    .    1    ]" 1 
       164 3 3 DT H2'  3 4 DG H8   3.880 3.280 4.580 4.590 4.485 4.717 0.137  6  0 "[    .    1    ]" 1 
       165 3 3 DT H2'' 3 4 DG H8   2.900 2.500 3.400 2.917 2.859 2.985     .  0  0 "[    .    1    ]" 1 
       166 3 3 DT H3'  3 4 DG H8   4.260 3.660 4.960 5.319 5.229 5.421 0.461  7  0 "[    .    1    ]" 1 
       167 3 3 DT H1'  3 4 DG H8   3.450 3.050 3.950 3.855 3.706 3.941     .  0  0 "[    .    1    ]" 1 
       168 3 3 DT H6   3 4 DG H8   4.650 4.050 5.350 5.714 5.480 5.901 0.551  9  1 "[    .   +1    ]" 1 
       169 3 4 DG H3'  3 4 DG H5'' 2.710 2.310 3.210 2.891 2.853 2.919     .  0  0 "[    .    1    ]" 1 
       170 3 4 DG H3'  3 4 DG H5'  3.580 3.180 4.080 3.742 3.691 3.803     .  0  0 "[    .    1    ]" 1 
       171 3 4 DG H3'  3 4 DG H4'  2.650 2.450 2.950 2.918 2.876 2.938     .  0  0 "[    .    1    ]" 1 
       172 3 4 DG Q2'  3 4 DG H3'  2.570 2.370 2.870 2.450 2.430 2.473     .  0  0 "[    .    1    ]" 1 
       173 3 4 DG H1'  3 4 DG H4'  3.010 2.610 3.510 3.300 3.237 3.335     .  0  0 "[    .    1    ]" 1 
       174 3 4 DG H1'  3 4 DG Q2'  2.420 2.370 2.720 2.283 2.270 2.299 0.100  3  0 "[    .    1    ]" 1 
       175 3 4 DG H1'  3 4 DG H3'  3.920 3.320 4.620 4.062 4.017 4.095     .  0  0 "[    .    1    ]" 1 
       176 3 4 DG H4'  3 4 DG H8   3.830 3.230 4.530 4.175 4.051 4.227     .  0  0 "[    .    1    ]" 1 
       177 3 4 DG H1'  3 4 DG H8   3.910 3.310 4.610 3.865 3.799 3.922     .  0  0 "[    .    1    ]" 1 
       178 3 4 DG H3'  3 4 DG H8   2.160     . 2.460 2.257 2.216 2.289     .  0  0 "[    .    1    ]" 1 
       179 3 4 DG Q2'  3 4 DG H8       . 3.080 3.380 2.935 2.890 2.970 0.190 14  0 "[    .    1    ]" 1 
       180 3 4 DG Q2'  3 5 DT M7       . 3.400 4.170 2.282 1.992 2.520 1.408  1 14  [+***-*********]  1 
       181 3 4 DG Q2'  3 5 DT H6   2.950 2.550 3.450 2.434 2.402 2.488 0.148  9  0 "[    .    1    ]" 1 
       182 3 4 DG H1'  3 5 DT M7   3.830 3.230 4.830 3.746 3.548 3.939     .  0  0 "[    .    1    ]" 1 
       183 3 4 DG H8   3 5 DT M7   4.440 3.840 5.440 3.327 3.177 3.499 0.663  8  8 "[    .- +******]" 1 
       184 3 4 DG H8   3 5 DT H6   4.650 4.050 5.350 5.116 4.936 5.442 0.092  1  0 "[    .    1    ]" 1 
       185 3 5 DT H2'  3 5 DT H3'  2.200     . 2.500 2.249 2.204 2.301     .  0  0 "[    .    1    ]" 1 
       186 3 5 DT H1'  3 5 DT H3'  3.440 3.040 3.940 3.775 3.710 3.819     .  0  0 "[    .    1    ]" 1 
       187 3 5 DT H1'  3 5 DT H2'' 2.340 2.140 2.640 2.407 2.371 2.471     .  0  0 "[    .    1    ]" 1 
       188 3 5 DT H1'  3 5 DT H2'  2.660 2.460 2.960 3.033 2.985 3.051 0.091 12  0 "[    .    1    ]" 1 
       189 3 5 DT H1'  3 5 DT H6   3.710 3.110 4.410 3.744 3.718 3.767     .  0  0 "[    .    1    ]" 1 
       190 3 5 DT H6   3 6 DC H5   3.950 3.350 4.650 4.040 3.930 4.187     .  0  0 "[    .    1    ]" 1 
       191 3 5 DT M7   3 6 DC H5   4.050 3.450 5.050 3.893 3.643 4.102     .  0  0 "[    .    1    ]" 1 
       192 3 5 DT H2'' 3 6 DC H5   2.840 2.440 3.340 3.127 3.041 3.199     .  0  0 "[    .    1    ]" 1 
       193 3 5 DT H3'  3 6 DC H6   3.800 3.200 4.500 5.210 5.158 5.252 0.752 12 14  [*********-*+**]  1 
       194 3 5 DT H1'  3 6 DC H6   3.240 2.840 3.740 3.446 3.391 3.512     .  0  0 "[    .    1    ]" 1 
       195 3 6 DC H1'  3 6 DC H2'  2.720 2.320 3.220 3.017 2.974 3.043     .  0  0 "[    .    1    ]" 1 
       196 3 6 DC H3'  3 6 DC H6   3.340 2.940 3.840 3.404 3.269 3.578     .  0  0 "[    .    1    ]" 1 
       197 3 6 DC H2'  3 6 DC H6   2.460 2.260 2.760 2.594 2.561 2.623     .  0  0 "[    .    1    ]" 1 
       198 3 6 DC H2'  3 7 DC H5   2.800 2.400 3.300 2.879 2.743 2.996     .  0  0 "[    .    1    ]" 1 
       199 3 6 DC H2'  3 7 DC H6   2.580 2.380 2.880 2.823 2.767 2.908 0.028  1  0 "[    .    1    ]" 1 
       200 3 6 DC H2'' 3 7 DC H6   2.640 2.440 2.940 2.750 2.636 3.015 0.075  7  0 "[    .    1    ]" 1 
       201 3 6 DC H3'  3 7 DC H6   3.710 3.110 4.410 4.452 4.297 4.585 0.175  1  0 "[    .    1    ]" 1 
       202 3 7 DC H2'  3 7 DC H3'  2.440 2.240 2.740 2.509 2.473 2.542     .  0  0 "[    .    1    ]" 1 
       203 3 7 DC H2'' 3 7 DC H3'  2.750 2.350 3.250 2.996 2.930 3.041     .  0  0 "[    .    1    ]" 1 
       204 3 7 DC H1'  3 7 DC H2'  2.760 2.360 3.260 3.022 3.004 3.041     .  0  0 "[    .    1    ]" 1 
       205 3 7 DC H1'  3 7 DC H2'' 2.330 2.130 2.630 2.398 2.369 2.423     .  0  0 "[    .    1    ]" 1 
       206 3 7 DC H1'  3 7 DC H3'  3.620 3.020 4.320 4.157 4.093 4.219     .  0  0 "[    .    1    ]" 1 
       207 3 7 DC H1'  3 7 DC H6   3.820 3.220 4.520 3.685 3.571 3.795     .  0  0 "[    .    1    ]" 1 
       208 3 7 DC H4'  3 7 DC H6   3.190 2.590 3.890 3.969 3.783 4.178 0.288  6  0 "[    .    1    ]" 1 
       209 3 7 DC H2'' 3 7 DC H6   3.090 2.690 3.590 3.891 3.837 3.942 0.352  1  0 "[    .    1    ]" 1 
       210 3 7 DC H3'  3 7 DC H6   3.050 2.650 3.550 3.378 3.040 3.842 0.292  5  0 "[    .    1    ]" 1 
       211 3 7 DC H2'  3 7 DC H6   2.320 2.120 2.620 2.417 2.356 2.479     .  0  0 "[    .    1    ]" 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              85
    _Distance_constraint_stats_list.Viol_count                    443
    _Distance_constraint_stats_list.Viol_total                    1143.164
    _Distance_constraint_stats_list.Viol_max                      1.242
    _Distance_constraint_stats_list.Viol_rms                      0.1787
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0686
    _Distance_constraint_stats_list.Viol_average_violations_only  0.1843
    _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 DC  2.399 0.198  9  0 "[    .    1    ]" 
       1 2 DC  5.911 0.458  2  0 "[    .    1    ]" 
       1 3 DT  4.565 0.349  1  0 "[    .    1    ]" 
       1 4 DA  7.468 0.419  7  0 "[    .    1    ]" 
       1 5 DT  9.787 0.624  7  1 "[    . +  1    ]" 
       1 6 DT  1.276 0.118  2  0 "[    .    1    ]" 
       1 7 DC  0.344 0.075  9  0 "[    .    1    ]" 
       2 1 DG  1.671 0.142  3  0 "[    .    1    ]" 
       2 2 DA  0.853 0.099  9  0 "[    .    1    ]" 
       2 3 DA  5.886 0.624  7  1 "[    . +  1    ]" 
       2 4 DT 20.735 0.990  6 13 "[*****+****-** ]" 
       2 5 DA 14.019 0.520  1  4 "[+** . -  1    ]" 
       2 6 DG  6.867 0.458  2  0 "[    .    1    ]" 
       2 7 DG  3.522 0.198  9  0 "[    .    1    ]" 
       3 1 DC  0.510 0.142  3  0 "[    .    1    ]" 
       3 2 DT  2.976 0.490  9  0 "[    .    1    ]" 
       3 3 DT  7.145 0.548  2  1 "[ +  .    1    ]" 
       3 4 DG 31.267 1.242 14 14  [******-******+]  
       3 5 DT 33.684 1.242 14 14  [**********-**+]  
       3 6 DC  0.734 0.065  1  0 "[    .    1    ]" 
       3 7 DC  0.070 0.035  8  0 "[    .    1    ]" 
    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 DC Q4   2 6 DG H1  3.970 3.190 4.750 4.388 4.141 4.607     .  0  0 "[    .    1    ]" 2 
        2 1 1 DC H1'  2 7 DG H1  4.290 3.650 4.720 4.722 4.575 4.780 0.060  7  0 "[    .    1    ]" 2 
        3 1 1 DC Q4   2 7 DG H1  3.580 2.860 3.850 2.714 2.662 2.750 0.198  9  0 "[    .    1    ]" 2 
        4 1 2 DC Q4   1 3 DT H3  4.640 3.880 5.560 4.230 3.950 4.348     .  0  0 "[    .    1    ]" 2 
        5 1 2 DC Q4   2 6 DG H1  3.530 2.830 3.720 2.442 2.372 2.531 0.458  2  0 "[    .    1    ]" 2 
        6 1 2 DC H5   2 7 DG H1  5.500 4.000 5.600 5.439 5.214 5.626 0.026  2  0 "[    .    1    ]" 2 
        7 1 2 DC H1'  2 7 DG H1  5.500 4.000 5.600 5.625 5.541 5.668 0.068 14  0 "[    .    1    ]" 2 
        8 1 2 DC Q4   2 7 DG H1  3.960 3.180 4.740 3.578 3.419 3.758     .  0  0 "[    .    1    ]" 2 
        9 1 3 DT H3   1 4 DA H2  5.410 4.870 5.600 5.568 5.350 5.650 0.050  4  0 "[    .    1    ]" 2 
       10 1 3 DT H3   1 4 DA Q6  4.620 3.700 5.540 4.149 3.819 4.415     .  0  0 "[    .    1    ]" 2 
       11 1 3 DT H3   2 5 DA H2  3.030 2.730 3.330 2.694 2.628 2.723 0.102  3  0 "[    .    1    ]" 2 
       12 1 3 DT H3   2 5 DA Q6  3.360 2.680 3.730 2.403 2.331 2.456 0.349  1  0 "[    .    1    ]" 2 
       13 1 3 DT H3   2 6 DG H1  3.710 3.340 4.080 3.507 3.332 3.652 0.008  4  0 "[    .    1    ]" 2 
       14 1 4 DA H2   1 5 DT H3  4.250 3.820 4.680 4.178 3.959 4.346     .  0  0 "[    .    1    ]" 2 
       15 1 4 DA Q6   1 5 DT H3  5.180 4.140 5.600 3.909 3.721 4.192 0.419  7  0 "[    .    1    ]" 2 
       16 1 4 DA Q6   2 4 DT H3  3.380 2.700 3.740 2.460 2.418 2.484 0.282 14  0 "[    .    1    ]" 2 
       17 1 4 DA H2   2 4 DT H3  3.000 2.700 3.300 2.701 2.661 2.748 0.039  6  0 "[    .    1    ]" 2 
       18 1 4 DA Q6   3 3 DT H3  4.290 3.430 5.150 4.330 4.000 4.601     .  0  0 "[    .    1    ]" 2 
       19 1 4 DA Q6   3 4 DG H1      . 3.520 4.280 3.587 3.280 3.782 0.240 10  0 "[    .    1    ]" 2 
       20 1 5 DT H3   1 6 DT M7  5.500 4.500 5.900 4.589 4.382 4.791 0.118  2  0 "[    .    1    ]" 2 
       21 1 5 DT H3   1 6 DT H3  3.780 3.400 4.160 3.593 3.362 3.857 0.038  9  0 "[    .    1    ]" 2 
       22 1 5 DT H3   2 2 DA H61 4.110 3.290 4.930 3.416 3.252 3.580 0.038 14  0 "[    .    1    ]" 2 
       23 1 5 DT H3   2 2 DA H62 4.460 3.560 5.360 4.032 3.756 4.216     .  0  0 "[    .    1    ]" 2 
       24 1 5 DT H3   2 3 DA H2  2.900 2.610 3.190 2.657 2.599 2.853 0.011  8  0 "[    .    1    ]" 2 
       25 1 5 DT H3   2 3 DA Q6  3.380 2.700 4.060 2.306 2.076 2.400 0.624  7  1 "[    . +  1    ]" 2 
       26 1 5 DT H3   2 4 DT H3  4.530 4.080 4.980 4.040 3.986 4.109 0.094 14  0 "[    .    1    ]" 2 
       27 1 6 DT H3   1 7 DC H41 4.600 3.680 5.520 3.756 3.605 3.856 0.075  9  0 "[    .    1    ]" 2 
       28 1 6 DT H3   1 7 DC H42 5.500 4.500 5.600 4.545 4.435 4.750 0.065  9  0 "[    .    1    ]" 2 
       29 1 6 DT H3   2 1 DG H1  4.690 3.980 4.690 4.123 3.934 4.377 0.046  4  0 "[    .    1    ]" 2 
       30 1 6 DT H3   2 2 DA H61 3.190 2.550 3.830 2.514 2.451 2.571 0.099  9  0 "[    .    1    ]" 2 
       31 1 6 DT H3   2 2 DA H2  2.860 2.570 3.150 2.624 2.547 2.754 0.023 11  0 "[    .    1    ]" 2 
       32 1 6 DT H3   2 2 DA H62 3.450 2.750 4.150 4.012 3.966 4.119     .  0  0 "[    .    1    ]" 2 
       33 1 6 DT H3   2 3 DA H2  3.530 3.180 3.880 3.737 3.435 3.928 0.048  9  0 "[    .    1    ]" 2 
       34 1 7 DC H1'  2 1 DG H1  4.420 3.760 4.860 4.805 4.631 4.892 0.032 10  0 "[    .    1    ]" 2 
       35 1 7 DC H42  2 1 DG H1  3.590 2.870 4.310 4.257 4.105 4.343 0.033 12  0 "[    .    1    ]" 2 
       36 1 7 DC H41  2 1 DG H1  3.280 2.620 3.940 2.724 2.620 2.805     .  0  0 "[    .    1    ]" 2 
       37 2 1 DG H1   2 2 DA H2  3.680 3.130 4.050 3.877 3.571 4.070 0.020 10  0 "[    .    1    ]" 2 
       38 2 1 DG H1   3 1 DC Q4  5.500 4.000 5.600 3.967 3.858 4.030 0.142  3  0 "[    .    1    ]" 2 
       39 2 1 DG H2'  3 2 DT H3  5.090 4.580 5.600 4.515 4.481 4.541 0.099  1  0 "[    .    1    ]" 2 
       40 2 1 DG H2'' 3 2 DT H3  5.180 4.660 5.600 5.518 5.441 5.608 0.008  2  0 "[    .    1    ]" 2 
       41 2 1 DG H8   3 2 DT H3  3.960 3.560 4.360 3.894 3.709 4.155     .  0  0 "[    .    1    ]" 2 
       42 2 2 DA H2'  3 2 DT H3  5.180 4.660 5.700 5.399 5.146 5.668     .  0  0 "[    .    1    ]" 2 
       43 2 2 DA H61  3 2 DT H3  3.720 2.980 4.460 4.329 4.107 4.459     .  0  0 "[    .    1    ]" 2 
       44 2 2 DA H62  3 2 DT H3  3.220 2.580 3.860 2.693 2.533 2.814 0.047  2  0 "[    .    1    ]" 2 
       45 2 2 DA H8   3 2 DT H3  3.220 2.900 3.540 3.116 2.984 3.307     .  0  0 "[    .    1    ]" 2 
       46 2 2 DA H2'  3 3 DT H3  4.530 4.080 4.980 4.361 4.190 4.529     .  0  0 "[    .    1    ]" 2 
       47 2 2 DA H2'' 3 3 DT H3  4.890 4.400 5.380 4.959 4.788 5.111     .  0  0 "[    .    1    ]" 2 
       48 2 2 DA H62  3 3 DT H3  4.360 3.480 5.240 5.168 4.994 5.271 0.031  8  0 "[    .    1    ]" 2 
       49 2 2 DA H8   3 3 DT H3  4.080 3.670 4.490 4.044 3.770 4.391     .  0  0 "[    .    1    ]" 2 
       50 2 3 DA Q6   2 4 DT H3  4.190 3.350 5.030 4.114 3.897 4.396     .  0  0 "[    .    1    ]" 2 
       51 2 3 DA H2   2 4 DT H3  4.270 3.840 4.700 4.000 3.851 4.221     .  0  0 "[    .    1    ]" 2 
       52 2 3 DA Q2'  3 3 DT H3  5.130 4.620 5.640 4.964 4.900 5.058     .  0  0 "[    .    1    ]" 2 
       53 2 3 DA Q6   3 3 DT H3  3.520 2.820 4.220 2.858 2.783 2.941 0.037 14  0 "[    .    1    ]" 2 
       54 2 3 DA H8   3 3 DT H3  3.470 3.120 3.820 3.126 3.049 3.231 0.071  3  0 "[    .    1    ]" 2 
       55 2 4 DT H3   2 5 DA H2  5.090 4.580 5.600 5.497 5.249 5.751 0.151 13  0 "[    .    1    ]" 2 
       56 2 4 DT H3   2 5 DA Q6  4.430 3.550 5.310 4.432 4.334 4.549     .  0  0 "[    .    1    ]" 2 
       57 2 4 DT M7   3 3 DT H3  4.270 3.840 5.000 3.720 3.438 3.922 0.402  3  0 "[    .    1    ]" 2 
       58 2 4 DT M7   3 5 DT H3  4.360 3.920 5.100 3.117 2.930 3.462 0.990  6 13 "[*****+****-** ]" 2 
       59 2 4 DT H2'  3 5 DT H3  5.500 4.500 5.700 4.571 4.476 4.705 0.024  1  0 "[    .    1    ]" 2 
       60 2 4 DT H2'' 3 5 DT H3  4.960 4.460 5.460 5.396 5.219 5.538 0.078  5  0 "[    .    1    ]" 2 
       61 2 4 DT H6   3 5 DT H3  4.210 3.790 4.630 4.594 4.395 4.674 0.044  8  0 "[    .    1    ]" 2 
       62 2 5 DA H2   2 6 DG H1  5.000 4.500 5.500 4.757 4.444 5.013 0.056 13  0 "[    .    1    ]" 2 
       63 2 5 DA Q6   2 6 DG H1  4.510 3.610 5.170 3.531 3.348 3.715 0.262  1  0 "[    .    1    ]" 2 
       64 2 5 DA Q6   3 4 DG H1      . 4.020 4.840 3.578 3.500 3.794 0.520  1  4 "[+** . -  1    ]" 2 
       65 2 5 DA H8   3 5 DT H3  2.960 2.860 5.600 3.487 3.351 3.597     .  0  0 "[    .    1    ]" 2 
       66 2 5 DA Q6   3 5 DT H3  2.960 2.860 4.290 2.728 2.698 2.761 0.162 10  0 "[    .    1    ]" 2 
       67 2 6 DG H1   3 6 DC H41 4.860 3.880 5.840 4.151 4.026 4.304     .  0  0 "[    .    1    ]" 2 
       68 2 7 DG H1   3 6 DC H42 4.440 3.560 5.320 5.360 5.302 5.385 0.065  1  0 "[    .    1    ]" 2 
       69 2 7 DG H1   3 7 DC H42 5.130 4.370 5.640 5.400 5.212 5.487     .  0  0 "[    .    1    ]" 2 
       70 2 7 DG H1   3 7 DC H41 5.500 4.000 5.600 4.099 3.965 4.253 0.035  8  0 "[    .    1    ]" 2 
       71 3 2 DT H1'  3 2 DT H3  5.500 4.500 5.700 4.499 4.455 4.560 0.045  4  0 "[    .    1    ]" 2 
       72 3 2 DT H3   3 3 DT M7  5.500 4.500 5.900 4.440 4.010 4.828 0.490  9  0 "[    .    1    ]" 2 
       73 3 2 DT H3   3 3 DT H3  4.250 3.820 4.680 3.880 3.790 4.171 0.030  1  0 "[    .    1    ]" 2 
       74 3 3 DT M7   3 4 DG H1  4.000 3.200 4.700 2.991 2.652 3.239 0.548  2  1 "[ +  .    1    ]" 2 
       75 3 3 DT H3   3 4 DG H1' 5.230 4.710 5.750 4.779 4.665 4.996 0.045  1  0 "[    .    1    ]" 2 
       76 3 3 DT H3   3 4 DG H1  5.500 4.950 5.500 5.134 4.921 5.414 0.029  7  0 "[    .    1    ]" 2 
       77 3 4 DG H1   3 5 DT M7  5.500 4.950 6.000 3.764 3.708 3.864 1.242 14 14  [****-********+]  2 
       78 2 4 DT M7   3 4 DG H1  5.500 4.950 6.000 4.743 4.453 4.859 0.497  5  0 "[    .    1    ]" 2 
       79 3 4 DG H1   3 5 DT H3  5.100 4.590 5.500 5.639 5.597 5.677 0.177  1  0 "[    .    1    ]" 2 
       80 1 3 DT H3   3 4 DG H1  5.500 4.900 6.000 5.723 5.423 6.046 0.046 14  0 "[    .    1    ]" 2 
       81 3 5 DT H1'  3 5 DT H3  5.350 4.810 5.890 4.705 4.662 4.744 0.148  3  0 "[    .    1    ]" 2 
       82 3 5 DT H3   3 6 DC H41 4.360 3.480 5.240 4.172 3.998 4.345     .  0  0 "[    .    1    ]" 2 
       83 3 5 DT H3   3 6 DC H5  4.490 4.040 4.940 4.669 4.393 4.916     .  0  0 "[    .    1    ]" 2 
       84 3 5 DT H3   3 6 DC H42 4.960 3.960 5.500 4.560 4.204 4.945     .  0  0 "[    .    1    ]" 2 
       85 3 5 DT H3   3 6 DC H1' 5.500 4.500 5.700 5.370 4.859 5.747 0.047 14  0 "[    .    1    ]" 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              31
    _Distance_constraint_stats_list.Viol_count                    234
    _Distance_constraint_stats_list.Viol_total                    2369.342
    _Distance_constraint_stats_list.Viol_max                      1.434
    _Distance_constraint_stats_list.Viol_rms                      0.4813
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.3900
    _Distance_constraint_stats_list.Viol_average_violations_only  0.7232
    _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 DC 26.760 0.997  3 14  [**+****-******]  
       1 2 DC 19.675 1.434  5 14  [****+*****-***]  
       1 3 DT  7.609 0.844  2  5 "[ +  .   -** * ]" 
       1 4 DA 23.085 1.358  3 14  [**+*********-*]  
       1 5 DT 45.425 1.429 14 14  [*****-*******+]  
       2 1 DG  0.000 0.000  .  0 "[    .    1    ]" 
       2 3 DA 34.423 1.222  7 14  [******+******-]  
       2 4 DT 19.605 1.201  1 14  [+************-]  
       2 5 DA 15.470 1.180  2 14  [*+********-***]  
       2 6 DG  2.990 0.280 10  0 "[    .    1    ]" 
       3 1 DC 15.851 1.273 11 14  [*****-****+***]  
       3 2 DT 22.161 1.429 14 14  [************-+]  
       3 3 DT 33.008 1.358  3 14  [**+********-**]  
       3 4 DG  1.875 0.312  4  0 "[    .    1    ]" 
       3 5 DT 66.646 1.434  5 14  [****+**-******]  
       3 6 DC  0.905 0.097  5  0 "[    .    1    ]" 
       3 7 DC  2.990 0.280 10  0 "[    .    1    ]" 
    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 DC Q2'  1 3 DT M7  5.100 5.000 105.000 4.520 4.156 4.788 0.844  2  5 "[ +  .   -** * ]" 3 
        2 1 1 DC H6   3 5 DT M7  5.100 5.000 105.000 5.474 5.264 6.027     .  0  0 "[    .    1    ]" 3 
        3 1 1 DC Q4   3 5 DT M7  5.100 5.000 105.000 4.365 4.038 4.727 0.962  3 10 "[**+** *-**  * ]" 3 
        4 1 1 DC H5   3 5 DT M7  5.100 5.000 105.000 4.204 4.003 4.641 0.997  3 13 "[**+ *-********]" 3 
        5 1 2 DC H5   3 3 DT M7  5.100 5.000 105.000 6.053 5.436 6.639     .  0  0 "[    .    1    ]" 3 
        6 1 2 DC Q4   3 4 DG H1  4.600 4.500 104.500 4.427 4.188 4.928 0.312  4  0 "[    .    1    ]" 3 
        7 1 2 DC Q4   3 5 DT M7  5.100 5.000 105.000 3.729 3.566 3.810 1.434  5 14  [****+*****-***]  3 
        8 1 3 DT H2'  1 5 DT M7  5.100 5.000 105.000 5.317 5.137 5.492     .  0  0 "[    .    1    ]" 3 
        9 1 3 DT H2'' 1 5 DT M7  5.100 5.000 105.000 4.959 4.796 5.144 0.204  7  0 "[    .    1    ]" 3 
       10 1 3 DT H1'  2 5 DA H2  4.600 4.500 104.500 5.085 4.788 5.260     .  0  0 "[    .    1    ]" 3 
       11 1 3 DT M7   3 2 DT H6  5.100 5.000 105.000 6.441 6.149 6.817     .  0  0 "[    .    1    ]" 3 
       12 1 4 DA Q6   3 2 DT M7  5.100 5.000 105.000 4.550 4.243 4.915 0.757 14  8 "[*** ** * 1  -+]" 3 
       13 1 4 DA Q6   3 3 DT M7  5.100 5.000 105.000 3.802 3.642 3.953 1.358  3 14  [**+********-**]  3 
       14 1 4 DA Q6   3 5 DT M7  5.100 5.000 105.000 5.676 5.437 5.971     .  0  0 "[    .    1    ]" 3 
       15 1 5 DT M7   2 3 DA Q6  5.100 5.000 105.000 4.083 3.992 4.170 1.008 12 14  [*********-*+**]  3 
       16 1 5 DT M7   3 1 DC Q4  5.100 5.000 105.000 3.868 3.727 4.173 1.273 11 14  [*****-****+***]  3 
       17 1 5 DT M7   3 1 DC H6  5.100 5.000 105.000 5.567 5.337 5.809     .  0  0 "[    .    1    ]" 3 
       18 1 5 DT M7   3 2 DT M7  5.100 5.000 105.000 3.868 3.571 4.109 1.429 14 14  [****-********+]  3 
       19 2 1 DG H8   3 1 DC H1' 4.600 4.500 104.500 4.896 4.640 5.266     .  0  0 "[    .    1    ]" 3 
       20 2 3 DA Q6   2 4 DT M7  5.100 5.000 105.000 4.617 4.363 4.775 0.637  3  3 "[  + .    1*  -]" 3 
       21 2 3 DA Q6   3 3 DT M7  5.100 5.000 105.000 3.841 3.778 3.884 1.222  7 14  [******+-******]  3 
       22 2 4 DT H6   3 4 DG H1' 4.600 4.500 104.500 6.181 5.817 6.541     .  0  0 "[    .    1    ]" 3 
       23 2 4 DT M7   3 5 DT H1' 5.100 5.000 105.000 4.016 3.799 4.318 1.201  1 14  [+******-******]  3 
       24 2 5 DA Q6   3 3 DT M7  5.100 5.000 105.000 5.408 5.125 5.582     .  0  0 "[    .    1    ]" 3 
       25 2 5 DA Q6   3 5 DT M7  5.100 5.000 105.000 3.926 3.820 4.007 1.180  2 14  [*+********-***]  3 
       26 3 5 DT M7   3 6 DC H6  5.100 5.000 105.000 5.612 5.376 5.848     .  0  0 "[    .    1    ]" 3 
       27 2 5 DA H2'' 3 6 DC H1' 4.600 4.500 104.500 5.826 5.702 5.928     .  0  0 "[    .    1    ]" 3 
       28 2 4 DT H2'' 3 6 DC H1' 4.600 4.500 104.500 4.489 4.403 4.699 0.097  5  0 "[    .    1    ]" 3 
       29 2 5 DA H3'  3 6 DC H1' 4.600 4.500 104.500 4.475 4.423 4.533 0.077 11  0 "[    .    1    ]" 3 
       30 2 5 DA H2'' 3 7 DC H1' 4.600 4.500 104.500 6.448 6.222 6.729     .  0  0 "[    .    1    ]" 3 
       31 2 6 DG Q2'  3 7 DC H1' 4.600 4.500 104.500 4.286 4.220 4.312 0.280 10  0 "[    .    1    ]" 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              37
    _Distance_constraint_stats_list.Viol_count                    165
    _Distance_constraint_stats_list.Viol_total                    491.971
    _Distance_constraint_stats_list.Viol_max                      0.724
    _Distance_constraint_stats_list.Viol_rms                      0.1245
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0678
    _Distance_constraint_stats_list.Viol_average_violations_only  0.2130
    _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 DC  0.000 0.000  . 0 "[    .    1    ]" 
       1 3 DT  2.191 0.232  2 0 "[    .    1    ]" 
       1 4 DA  3.077 0.314  9 0 "[    .    1    ]" 
       1 5 DT  3.438 0.219  1 0 "[    .    1    ]" 
       1 6 DT  0.000 0.000  . 0 "[    .    1    ]" 
       1 7 DC  2.234 0.724 10 2 "[    .    +-   ]" 
       2 1 DG  0.000 0.000  . 0 "[    .    1    ]" 
       2 2 DA  2.369 0.205 14 0 "[    .    1    ]" 
       2 4 DT  4.616 0.467 11 0 "[    .    1    ]" 
       2 5 DA  4.616 0.467 11 0 "[    .    1    ]" 
       2 7 DG  1.306 0.524  9 1 "[    .   +1    ]" 
       3 1 DC  0.000 0.000  . 0 "[    .    1    ]" 
       3 3 DT  1.491 0.179  5 0 "[    .    1    ]" 
       3 5 DT  4.999 0.477  5 0 "[    .    1    ]" 
       3 6 DC 14.419 0.477  5 0 "[    .    1    ]" 
    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 DC Q2'  1 1 DC H6  2.100 . 2.700 2.006 1.973 2.030     .  0 0 "[    .    1    ]" 4 
        2 1 1 DC Q2'  1 1 DC H4' 3.200 . 3.600 3.546 3.507 3.581     .  0 0 "[    .    1    ]" 4 
        3 1 3 DT H2'  1 3 DT H3' 2.200 . 2.700 2.368 2.319 2.415     .  0 0 "[    .    1    ]" 4 
        4 1 3 DT H2'' 1 3 DT H3' 2.400 . 2.700 2.857 2.731 2.932 0.232  2 0 "[    .    1    ]" 4 
        5 1 3 DT H2'' 1 4 DA H8  2.200 . 2.700 2.636 2.581 2.694     .  0 0 "[    .    1    ]" 4 
        6 1 4 DA Q2'  1 4 DA H8  2.600 . 2.700 2.920 2.831 3.014 0.314  9 0 "[    .    1    ]" 4 
        7 1 4 DA Q2'  1 4 DA H3' 2.400 . 2.700 2.238 2.220 2.267     .  0 0 "[    .    1    ]" 4 
        8 1 4 DA Q2'  1 4 DA H4' 2.600 . 3.600 3.224 3.148 3.285     .  0 0 "[    .    1    ]" 4 
        9 1 5 DT H2'  1 5 DT H3' 2.200 . 5.500 2.231 2.213 2.251     .  0 0 "[    .    1    ]" 4 
       10 1 5 DT H2'  1 6 DT M7  2.900 . 3.900 2.169 2.007 2.390     .  0 0 "[    .    1    ]" 4 
       11 1 5 DT H2'' 1 5 DT H3' 2.500 . 2.700 2.895 2.879 2.919 0.219  1 0 "[    .    1    ]" 4 
       12 1 5 DT H2'' 1 5 DT H4' 2.600 . 3.600 3.648 3.579 3.762 0.162  5 0 "[    .    1    ]" 4 
       13 1 5 DT H2'' 1 6 DT H6  2.300 . 2.700 2.482 2.428 2.532     .  0 0 "[    .    1    ]" 4 
       14 1 7 DC H2'  1 7 DC H6  2.700 . 3.600 2.867 2.208 3.371     .  0 0 "[    .    1    ]" 4 
       15 1 7 DC H3'  1 7 DC H6  3.100 . 3.600 3.243 2.575 4.324 0.724 10 2 "[    .    +-   ]" 4 
       16 1 6 DT H2'' 1 7 DC H6  2.600 . 2.700 2.351 2.174 2.611     .  0 0 "[    .    1    ]" 4 
       17 2 1 DG H2'  2 1 DG H3' 2.000 . 2.700 2.269 2.219 2.292     .  0 0 "[    .    1    ]" 4 
       18 2 2 DA H2'  2 2 DA H4' 2.500 . 3.600 3.737 3.688 3.805 0.205 14 0 "[    .    1    ]" 4 
       19 2 2 DA H2'' 2 2 DA H4' 2.700 . 3.600 3.622 3.555 3.708 0.108  3 0 "[    .    1    ]" 4 
       20 2 4 DT H2'  2 4 DT H6  1.900 . 2.700 2.302 2.270 2.326     .  0 0 "[    .    1    ]" 4 
       21 2 4 DT H2'  2 5 DA H8  2.400 . 2.700 2.997 2.720 3.167 0.467 11 0 "[    .    1    ]" 4 
       22 2 4 DT H2'' 2 4 DT H3' 2.800 . 3.600 2.890 2.849 2.960     .  0 0 "[    .    1    ]" 4 
       23 2 4 DT H2'' 2 5 DA H8  2.300 . 2.700 2.675 2.498 2.820 0.120  7 0 "[    .    1    ]" 4 
       24 2 7 DG Q2'  2 7 DG H8  2.200 . 2.700 2.720 2.334 3.224 0.524  9 1 "[    .   +1    ]" 4 
       25 3 1 DC Q2'  3 1 DC H3' 2.700 . 3.600 2.214 2.178 2.287     .  0 0 "[    .    1    ]" 4 
       26 3 3 DT H2'  3 3 DT M7  3.300 . 3.900 4.007 3.913 4.079 0.179  5 0 "[    .    1    ]" 4 
       27 3 3 DT H2'' 3 3 DT H3' 2.900 . 3.600 2.713 2.681 2.747     .  0 0 "[    .    1    ]" 4 
       28 3 5 DT H2'  3 5 DT H6  2.100 . 2.700 2.169 2.136 2.216     .  0 0 "[    .    1    ]" 4 
       29 3 5 DT H2'  3 6 DC H6  3.000 . 3.600 3.957 3.862 4.077 0.477  5 0 "[    .    1    ]" 4 
       30 3 5 DT H2'' 3 5 DT H6  2.700 . 3.600 3.492 3.402 3.574     .  0 0 "[    .    1    ]" 4 
       31 3 5 DT H2'' 3 5 DT H3' 2.700 . 3.600 2.746 2.703 2.805     .  0 0 "[    .    1    ]" 4 
       32 3 5 DT H2'' 3 6 DC H6  2.900 . 3.600 2.517 2.485 2.561     .  0 0 "[    .    1    ]" 4 
       33 3 6 DC H2'  3 6 DC H3' 2.500 . 2.700 2.255 2.228 2.290     .  0 0 "[    .    1    ]" 4 
       34 3 6 DC H2'  3 6 DC H4' 2.700 . 3.600 3.908 3.871 3.970 0.370 14 0 "[    .    1    ]" 4 
       35 3 6 DC H2'' 3 6 DC H4' 2.600 . 3.600 3.479 3.380 3.583     .  0 0 "[    .    1    ]" 4 
       36 3 6 DC H1'  3 6 DC H6  3.200 . 3.600 3.564 3.536 3.619 0.019  8 0 "[    .    1    ]" 4 
       37 3 6 DC H2'' 3 6 DC H6  3.200 . 3.600 3.963 3.921 4.028 0.428 13 0 "[    .    1    ]" 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              58
    _Distance_constraint_stats_list.Viol_count                    325
    _Distance_constraint_stats_list.Viol_total                    131.734
    _Distance_constraint_stats_list.Viol_max                      0.105
    _Distance_constraint_stats_list.Viol_rms                      0.0194
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0116
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0290
    _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 DC 1.355 0.083 14 0 "[    .    1    ]" 
       1 2 DC 0.853 0.069  5 0 "[    .    1    ]" 
       1 3 DT 0.582 0.105 10 0 "[    .    1    ]" 
       1 4 DA 0.677 0.084  7 0 "[    .    1    ]" 
       1 5 DT 0.102 0.033  9 0 "[    .    1    ]" 
       1 6 DT 0.488 0.073  5 0 "[    .    1    ]" 
       1 7 DC 0.856 0.066 11 0 "[    .    1    ]" 
       2 1 DG 2.163 0.076 12 0 "[    .    1    ]" 
       2 2 DA 0.844 0.073  5 0 "[    .    1    ]" 
       2 3 DA 0.258 0.046  9 0 "[    .    1    ]" 
       2 4 DT 0.677 0.084  7 0 "[    .    1    ]" 
       2 5 DA 1.212 0.105 10 0 "[    .    1    ]" 
       2 6 DG 1.881 0.072 12 0 "[    .    1    ]" 
       2 7 DG 2.375 0.083 14 0 "[    .    1    ]" 
       3 1 DC 1.307 0.076 12 0 "[    .    1    ]" 
       3 2 DT 0.356 0.049  6 0 "[    .    1    ]" 
       3 3 DT 0.156 0.046  9 0 "[    .    1    ]" 
       3 5 DT 0.631 0.076 12 0 "[    .    1    ]" 
       3 6 DC 1.028 0.072 12 0 "[    .    1    ]" 
       3 7 DC 1.020 0.078  1 0 "[    .    1    ]" 
    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 DC N3  2 7 DG H1  1.940     . 2.040 1.937 1.904 1.977     .  0 0 "[    .    1    ]" 5 
        2 1 1 DC Q4  2 7 DG O6  1.900     . 2.000 1.793 1.777 1.856 0.023 10 0 "[    .    1    ]" 5 
        3 1 1 DC O2  2 7 DG H21 1.840     . 1.940 1.728 1.690 1.760 0.050 14 0 "[    .    1    ]" 5 
        4 1 2 DC N3  2 6 DG H1  1.940     . 2.040 1.893 1.849 1.969     .  0 0 "[    .    1    ]" 5 
        5 1 2 DC Q4  2 6 DG O6  1.900     . 2.000 1.855 1.758 2.007 0.042 14 0 "[    .    1    ]" 5 
        6 1 2 DC O2  2 6 DG H21 1.840     . 1.940 1.748 1.717 1.802 0.023  2 0 "[    .    1    ]" 5 
        7 1 3 DT H3  2 5 DA N1  1.810     . 1.910 1.856 1.720 1.930 0.020  4 0 "[    .    1    ]" 5 
        8 1 3 DT O4  2 5 DA Q6  1.840     . 1.940 1.839 1.768 1.920     .  0 0 "[    .    1    ]" 5 
        9 1 4 DA N1  2 4 DT H3  1.810     . 1.910 1.854 1.728 1.938 0.028 13 0 "[    .    1    ]" 5 
       10 1 4 DA Q6  2 4 DT O4  1.840     . 1.940 1.814 1.764 1.866     .  0 0 "[    .    1    ]" 5 
       11 1 5 DT H3  2 3 DA N1  1.810     . 1.910 1.763 1.711 1.851     .  0 0 "[    .    1    ]" 5 
       12 1 5 DT O4  2 3 DA Q6  1.840     . 1.940 1.865 1.811 1.933     .  0 0 "[    .    1    ]" 5 
       13 1 6 DT H3  2 2 DA N1  1.810     . 1.910 1.813 1.729 1.922 0.012  3 0 "[    .    1    ]" 5 
       14 1 6 DT O4  2 2 DA H61 1.840     . 1.940 1.827 1.782 1.891     .  0 0 "[    .    1    ]" 5 
       15 1 7 DC N3  2 1 DG H1  1.940     . 2.040 1.932 1.854 1.969     .  0 0 "[    .    1    ]" 5 
       16 1 7 DC H41 2 1 DG O6  1.900     . 2.000 1.812 1.769 1.889 0.031  1 0 "[    .    1    ]" 5 
       17 1 7 DC O2  2 1 DG H21 1.840     . 1.940 1.753 1.721 1.853 0.019 11 0 "[    .    1    ]" 5 
       18 2 1 DG N7  3 1 DC H3  1.940     . 2.040 1.860 1.807 1.972 0.033 12 0 "[    .    1    ]" 5 
       19 2 1 DG O6  3 1 DC Q4  1.900     . 2.000 1.785 1.748 1.817 0.052  3 0 "[    .    1    ]" 5 
       20 2 2 DA N7  3 2 DT H3  1.880     . 1.980 1.824 1.786 1.911     .  0 0 "[    .    1    ]" 5 
       21 2 2 DA H62 3 2 DT O4  1.820     . 1.920 1.814 1.748 1.928 0.008  5 0 "[    .    1    ]" 5 
       22 2 3 DA N7  3 3 DT H3  1.880     . 1.980 1.847 1.784 1.904     .  0 0 "[    .    1    ]" 5 
       23 2 3 DA Q6  3 3 DT O4  1.820     . 1.920 1.770 1.734 1.829     .  0 0 "[    .    1    ]" 5 
       24 2 5 DA N7  3 5 DT H3  1.880     . 1.980 2.010 1.970 2.056 0.076 12 0 "[    .    1    ]" 5 
       25 2 5 DA Q6  3 5 DT O4  1.820     . 1.920 1.763 1.711 1.825 0.009  3 0 "[    .    1    ]" 5 
       26 2 6 DG N7  3 6 DC H3  1.940     . 2.040 1.924 1.838 2.027 0.002  1 0 "[    .    1    ]" 5 
       27 2 6 DG O6  3 6 DC H41 1.900     . 2.000 1.786 1.740 1.875 0.060 12 0 "[    .    1    ]" 5 
       28 2 7 DG N7  3 7 DC H3  1.940     . 2.040 1.900 1.836 2.010 0.004  1 0 "[    .    1    ]" 5 
       29 2 7 DG O6  3 7 DC H41 1.900     . 2.000 1.844 1.776 2.004 0.024 12 0 "[    .    1    ]" 5 
       30 1 1 DC N3  2 7 DG N1  2.950 2.850 3.050 2.888 2.851 2.935     .  0 0 "[    .    1    ]" 5 
       31 1 1 DC N4  2 7 DG O6  2.910 2.810 3.010 2.791 2.772 2.849 0.038 10 0 "[    .    1    ]" 5 
       32 1 1 DC O2  2 7 DG N2  2.860 2.760 2.960 2.711 2.677 2.744 0.083 14 0 "[    .    1    ]" 5 
       33 1 2 DC N3  2 6 DG N1  2.950 2.850 3.050 2.870 2.828 2.949 0.022  2 0 "[    .    1    ]" 5 
       34 1 2 DC N4  2 6 DG O6  2.910 2.810 3.010 2.857 2.762 3.010 0.048 14 0 "[    .    1    ]" 5 
       35 1 2 DC O2  2 6 DG N2  2.860 2.760 2.960 2.735 2.691 2.798 0.069  5 0 "[    .    1    ]" 5 
       36 1 3 DT N3  2 5 DA N1  2.820 2.720 2.920 2.852 2.717 2.926 0.006  4 0 "[    .    1    ]" 5 
       37 1 3 DT O4  2 5 DA N6  2.950 2.850 3.050 2.812 2.745 2.873 0.105 10 0 "[    .    1    ]" 5 
       38 1 4 DA N1  2 4 DT N3  2.820 2.720 2.920 2.852 2.725 2.935 0.015 13 0 "[    .    1    ]" 5 
       39 1 4 DA N6  2 4 DT O4  2.950 2.850 3.050 2.809 2.766 2.862 0.084  7 0 "[    .    1    ]" 5 
       40 1 5 DT N3  2 3 DA N1  2.820 2.720 2.920 2.759 2.706 2.849 0.014  8 0 "[    .    1    ]" 5 
       41 1 5 DT O4  2 3 DA N6  2.950 2.850 3.050 2.870 2.817 2.938 0.033  9 0 "[    .    1    ]" 5 
       42 1 6 DT N3  2 2 DA N1  2.820 2.720 2.920 2.809 2.726 2.913     .  0 0 "[    .    1    ]" 5 
       43 1 6 DT O4  2 2 DA N6  2.950 2.850 3.050 2.821 2.777 2.881 0.073  5 0 "[    .    1    ]" 5 
       44 1 7 DC N3  2 1 DG N1  2.950 2.850 3.050 2.890 2.824 2.928 0.026  4 0 "[    .    1    ]" 5 
       45 1 7 DC N4  2 1 DG O6  2.910 2.810 3.010 2.803 2.760 2.879 0.050  1 0 "[    .    1    ]" 5 
       46 1 7 DC O2  2 1 DG N2  2.860 2.760 2.960 2.732 2.694 2.822 0.066 11 0 "[    .    1    ]" 5 
       47 2 1 DG N7  3 1 DC N3  2.950 2.850 3.050 2.814 2.774 2.920 0.076 12 0 "[    .    1    ]" 5 
       48 2 1 DG O6  3 1 DC N4  2.910 2.810 3.010 2.783 2.741 2.814 0.069  3 0 "[    .    1    ]" 5 
       49 2 2 DA N7  3 2 DT N3  2.927 2.827 3.027 2.809 2.778 2.893 0.049  6 0 "[    .    1    ]" 5 
       50 2 2 DA N6  3 2 DT O4  2.861 2.761 2.961 2.810 2.745 2.924 0.016  8 0 "[    .    1    ]" 5 
       51 2 3 DA N7  3 3 DT N3  2.927 2.827 3.027 2.843 2.781 2.895 0.046  9 0 "[    .    1    ]" 5 
       52 2 3 DA N6  3 3 DT O4  2.861 2.761 2.961 2.774 2.738 2.834 0.023  7 0 "[    .    1    ]" 5 
       53 2 5 DA N7  3 5 DT N3  2.927 2.827 3.027 2.963 2.924 3.014     .  0 0 "[    .    1    ]" 5 
       54 2 5 DA N6  3 5 DT O4  2.861 2.761 2.961 2.754 2.712 2.799 0.049  3 0 "[    .    1    ]" 5 
       55 2 6 DG N7  3 6 DC N3  2.950 2.850 3.050 2.868 2.788 2.981 0.062  1 0 "[    .    1    ]" 5 
       56 2 6 DG O6  3 6 DC N4  2.910 2.810 3.010 2.784 2.738 2.875 0.072 12 0 "[    .    1    ]" 5 
       57 2 7 DG N7  3 7 DC N3  2.950 2.850 3.050 2.812 2.772 2.873 0.078  1 0 "[    .    1    ]" 5 
       58 2 7 DG O6  3 7 DC N4  2.910 2.810 3.010 2.786 2.738 2.840 0.072 14 0 "[    .    1    ]" 5 
    stop_

save_



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