NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage program type subtype subsubtype
512194 2l7d 17351 cing 4-filtered-FRED Wattos check violation distance


data_2l7d


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              202
    _Distance_constraint_stats_list.Viol_count                    132
    _Distance_constraint_stats_list.Viol_total                    92.506
    _Distance_constraint_stats_list.Viol_max                      0.453
    _Distance_constraint_stats_list.Viol_rms                      0.0672
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0183
    _Distance_constraint_stats_list.Viol_average_violations_only  0.1402
    _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 3.235 0.394 2 0 "[    .]" 
       1  2 DG 1.462 0.298 4 0 "[    .]" 
       1  3 DC 0.009 0.009 1 0 "[    .]" 
       1  4 DG 0.000 0.000 . 0 "[    .]" 
       1  5 DA 0.233 0.086 1 0 "[    .]" 
       1  6 DA 3.337 0.453 1 0 "[    .]" 
       1  7 DT 0.642 0.130 4 0 "[    .]" 
       1  8 DT 0.355 0.073 1 0 "[    .]" 
       1  9 DC 0.000 0.000 . 0 "[    .]" 
       1 10 DG 0.325 0.077 1 0 "[    .]" 
       1 11 DC 0.075 0.052 1 0 "[    .]" 
       1 12 DG 0.743 0.119 1 0 "[    .]" 
       2  1 DC 3.237 0.395 2 0 "[    .]" 
       2  2 DG 1.465 0.298 4 0 "[    .]" 
       2  3 DC 0.011 0.011 1 0 "[    .]" 
       2  4 DG 0.000 0.000 . 0 "[    .]" 
       2  5 DA 0.234 0.086 1 0 "[    .]" 
       2  6 DA 3.339 0.453 1 0 "[    .]" 
       2  7 DT 0.644 0.130 2 0 "[    .]" 
       2  8 DT 0.357 0.075 1 0 "[    .]" 
       2  9 DC 0.000 0.000 . 0 "[    .]" 
       2 10 DG 0.322 0.075 1 0 "[    .]" 
       2 11 DC 0.074 0.052 1 0 "[    .]" 
       2 12 DG 0.745 0.119 4 0 "[    .]" 
    stop_

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

         1 1  5 DA H1'  1  5 DA H8   4.530 . 4.530 3.892 3.890 3.895     . 0 0 "[    .]" 1 
         2 2  5 DA H1'  2  5 DA H8   4.530 . 4.530 3.893 3.891 3.895     . 0 0 "[    .]" 1 
         3 1  5 DA H1'  1  6 DA H8   4.440 . 4.440 3.496 3.461 3.547     . 0 0 "[    .]" 1 
         4 2  5 DA H1'  2  6 DA H8   4.440 . 4.440 3.497 3.460 3.547     . 0 0 "[    .]" 1 
         5 1 12 DG H1'  1 12 DG H8   4.890 . 4.890 3.887 3.886 3.888     . 0 0 "[    .]" 1 
         6 2 12 DG H1'  2 12 DG H8   4.890 . 4.890 3.887 3.886 3.887     . 0 0 "[    .]" 1 
         7 1  2 DG H1'  1  2 DG H8   4.430 . 4.430 3.881 3.880 3.883     . 0 0 "[    .]" 1 
         8 2  2 DG H1'  2  2 DG H8   4.430 . 4.430 3.881 3.878 3.883     . 0 0 "[    .]" 1 
         9 1 10 DG H1'  1 10 DG H8   4.410 . 4.410 3.891 3.890 3.892     . 0 0 "[    .]" 1 
        10 2 10 DG H1'  2 10 DG H8   4.410 . 4.410 3.890 3.889 3.891     . 0 0 "[    .]" 1 
        11 1  3 DC H1'  1  4 DG H8   4.010 . 4.010 3.672 3.618 3.725     . 0 0 "[    .]" 1 
        12 2  3 DC H1'  2  4 DG H8   4.010 . 4.010 3.670 3.618 3.722     . 0 0 "[    .]" 1 
        13 1 11 DC H1'  1 12 DG H8   4.020 . 4.020 4.035 4.019 4.072 0.052 1 0 "[    .]" 1 
        14 2 11 DC H1'  2 12 DG H8   4.020 . 4.020 4.034 4.018 4.072 0.052 1 0 "[    .]" 1 
        15 1  9 DC H1'  1 10 DG H8   4.320 . 4.320 3.594 3.565 3.611     . 0 0 "[    .]" 1 
        16 2  9 DC H1'  2 10 DG H8   4.320 . 4.320 3.595 3.567 3.612     . 0 0 "[    .]" 1 
        17 1 10 DG H8   1 11 DC H5   5.020 . 5.020 3.900 3.863 3.920     . 0 0 "[    .]" 1 
        18 2 10 DG H8   2 11 DC H5   5.020 . 5.020 3.899 3.861 3.920     . 0 0 "[    .]" 1 
        19 1  2 DG H8   1  3 DC H5   5.650 . 5.650 3.931 3.841 3.978     . 0 0 "[    .]" 1 
        20 2  2 DG H8   2  3 DC H5   5.650 . 5.650 3.934 3.844 3.980     . 0 0 "[    .]" 1 
        21 1  6 DA H1'  1  6 DA H2   4.400 . 4.400 4.492 4.490 4.492 0.092 2 0 "[    .]" 1 
        22 2  6 DA H1'  2  6 DA H2   4.400 . 4.400 4.492 4.489 4.493 0.093 4 0 "[    .]" 1 
        23 1  8 DT H1'  1  9 DC H6   4.390 . 4.390 3.608 3.579 3.627     . 0 0 "[    .]" 1 
        24 2  8 DT H1'  2  9 DC H6   4.390 . 4.390 3.610 3.578 3.635     . 0 0 "[    .]" 1 
        25 1  8 DT H1'  1  8 DT H6   4.270 . 4.270 3.706 3.704 3.708     . 0 0 "[    .]" 1 
        26 2  8 DT H1'  2  8 DT H6   4.270 . 4.270 3.705 3.704 3.707     . 0 0 "[    .]" 1 
        27 1  5 DA H1'  1  5 DA H2   5.300 . 5.300 4.487 4.482 4.489     . 0 0 "[    .]" 1 
        28 2  5 DA H1'  2  5 DA H2   5.300 . 5.300 4.486 4.481 4.489     . 0 0 "[    .]" 1 
        29 1  6 DA H1'  1  7 DT H6   4.790 . 4.790 3.421 3.379 3.451     . 0 0 "[    .]" 1 
        30 2  6 DA H1'  2  7 DT H6   4.790 . 4.790 3.422 3.379 3.451     . 0 0 "[    .]" 1 
        31 1  7 DT H1'  1  7 DT H6   4.700 . 4.700 3.710 3.710 3.711     . 0 0 "[    .]" 1 
        32 2  7 DT H1'  2  7 DT H6   4.700 . 4.700 3.711 3.710 3.712     . 0 0 "[    .]" 1 
        33 1  2 DG H1'  1  3 DC H6   3.730 . 3.730 3.609 3.546 3.633     . 0 0 "[    .]" 1 
        34 2  2 DG H1'  2  3 DC H6   3.730 . 3.730 3.610 3.548 3.635     . 0 0 "[    .]" 1 
        35 1  3 DC H1'  1  3 DC H6   4.340 . 4.340 3.718 3.716 3.720     . 0 0 "[    .]" 1 
        36 2  3 DC H1'  2  3 DC H6   4.340 . 4.340 3.717 3.716 3.720     . 0 0 "[    .]" 1 
        37 1 11 DC H1'  1 11 DC H6   5.080 . 5.080 3.711 3.709 3.716     . 0 0 "[    .]" 1 
        38 2 11 DC H1'  2 11 DC H6   5.080 . 5.080 3.711 3.709 3.716     . 0 0 "[    .]" 1 
        39 1 10 DG H1'  1 11 DC H6   3.960 . 3.960 3.683 3.621 3.727     . 0 0 "[    .]" 1 
        40 2 10 DG H1'  2 11 DC H6   3.960 . 3.960 3.683 3.622 3.727     . 0 0 "[    .]" 1 
        41 1  7 DT H1'  1  8 DT H6   4.580 . 4.580 3.745 3.718 3.766     . 0 0 "[    .]" 1 
        42 2  7 DT H1'  2  8 DT H6   4.580 . 4.580 3.745 3.719 3.765     . 0 0 "[    .]" 1 
        43 1  8 DT H6   1  9 DC H5   5.570 . 5.570 3.734 3.718 3.743     . 0 0 "[    .]" 1 
        44 2  8 DT H6   2  9 DC H5   5.570 . 5.570 3.735 3.716 3.745     . 0 0 "[    .]" 1 
        45 1  9 DC H1'  1  9 DC H6   5.010 . 5.010 3.709 3.708 3.711     . 0 0 "[    .]" 1 
        46 2  9 DC H1'  2  9 DC H6   5.010 . 5.010 3.709 3.707 3.712     . 0 0 "[    .]" 1 
        47 1  5 DA H2   2  9 DC H1'  5.800 . 5.800 4.843 4.770 4.885     . 0 0 "[    .]" 1 
        48 1  9 DC H1'  2  5 DA H2   5.800 . 5.800 4.843 4.767 4.885     . 0 0 "[    .]" 1 
        49 1  1 DC H1'  1  1 DC H6   3.340 . 3.340 3.691 3.687 3.697 0.357 2 0 "[    .]" 1 
        50 2  1 DC H1'  2  1 DC H6   3.340 . 3.340 3.691 3.687 3.697 0.357 2 0 "[    .]" 1 
        51 1  6 DA H1'  1  6 DA H8   3.440 . 3.440 3.892 3.891 3.893 0.453 1 0 "[    .]" 1 
        52 2  6 DA H1'  2  6 DA H8   3.440 . 3.440 3.892 3.890 3.893 0.453 1 0 "[    .]" 1 
        53 1  5 DA H2'  1  5 DA H8   2.250 . 2.250 2.297 2.281 2.336 0.086 1 0 "[    .]" 1 
        54 2  5 DA H2'  2  5 DA H8   2.250 . 2.250 2.297 2.279 2.336 0.086 1 0 "[    .]" 1 
        55 1  6 DA H2'  1  6 DA H8   2.320 . 2.320 2.277 2.272 2.293     . 0 0 "[    .]" 1 
        56 2  6 DA H2'  2  6 DA H8   2.320 . 2.320 2.277 2.271 2.293     . 0 0 "[    .]" 1 
        57 1  5 DA H2'' 1  6 DA H8   2.670 . 2.670 2.168 2.133 2.186     . 0 0 "[    .]" 1 
        58 2  5 DA H2'' 2  6 DA H8   2.670 . 2.670 2.167 2.132 2.184     . 0 0 "[    .]" 1 
        59 1  6 DA H2'' 1  7 DT H6   2.810 . 2.810 2.162 2.140 2.178     . 0 0 "[    .]" 1 
        60 2  6 DA H2'' 2  7 DT H6   2.810 . 2.810 2.162 2.140 2.177     . 0 0 "[    .]" 1 
        61 1  7 DT H2'  1  7 DT H6   2.460 . 2.460 2.200 2.195 2.202     . 0 0 "[    .]" 1 
        62 2  7 DT H2'  2  7 DT H6   2.460 . 2.460 2.200 2.195 2.202     . 0 0 "[    .]" 1 
        63 1  7 DT H6   1  8 DT M7   4.210 . 4.210 2.718 2.649 2.827     . 0 0 "[    .]" 1 
        64 2  7 DT H6   2  8 DT M7   4.210 . 4.210 2.718 2.649 2.828     . 0 0 "[    .]" 1 
        65 1  6 DA H8   1  7 DT M7   3.840 . 3.840 2.651 2.542 2.699     . 0 0 "[    .]" 1 
        66 2  6 DA H8   2  7 DT M7   3.840 . 3.840 2.651 2.541 2.701     . 0 0 "[    .]" 1 
        67 1  2 DG H2'' 1  3 DC H6   2.860 . 2.860 2.218 2.162 2.249     . 0 0 "[    .]" 1 
        68 2  2 DG H2'' 2  3 DC H6   2.860 . 2.860 2.219 2.163 2.249     . 0 0 "[    .]" 1 
        69 1  3 DC H2'  1  3 DC H6   2.310 . 2.310 2.105 2.070 2.140     . 0 0 "[    .]" 1 
        70 2  3 DC H2'  2  3 DC H6   2.310 . 2.310 2.104 2.070 2.138     . 0 0 "[    .]" 1 
        71 1 11 DC H2'  1 11 DC H6   2.200 . 2.200 1.991 1.968 2.045     . 0 0 "[    .]" 1 
        72 2 11 DC H2'  2 11 DC H6   2.200 . 2.200 1.990 1.967 2.044     . 0 0 "[    .]" 1 
        73 1  8 DT H2'  1  8 DT H6   2.210 . 2.210 2.047 2.017 2.060     . 0 0 "[    .]" 1 
        74 2  8 DT H2'  2  8 DT H6   2.210 . 2.210 2.046 2.016 2.060     . 0 0 "[    .]" 1 
        75 1 10 DG H2'' 1 11 DC H6   2.670 . 2.670 2.206 2.184 2.223     . 0 0 "[    .]" 1 
        76 2 10 DG H2'' 2 11 DC H6   2.670 . 2.670 2.207 2.186 2.222     . 0 0 "[    .]" 1 
        77 1  7 DT H2'' 1  8 DT H6   2.200 . 2.200 2.119 2.106 2.130     . 0 0 "[    .]" 1 
        78 2  7 DT H2'' 2  8 DT H6   2.200 . 2.200 2.119 2.108 2.128     . 0 0 "[    .]" 1 
        79 1  8 DT H2'' 1  9 DC H6   2.810 . 2.810 2.058 2.035 2.083     . 0 0 "[    .]" 1 
        80 2  8 DT H2'' 2  9 DC H6   2.810 . 2.810 2.060 2.034 2.083     . 0 0 "[    .]" 1 
        81 1  9 DC H2'  1  9 DC H6   2.200 . 2.200 1.966 1.954 1.978     . 0 0 "[    .]" 1 
        82 2  9 DC H2'  2  9 DC H6   2.200 . 2.200 1.965 1.947 1.977     . 0 0 "[    .]" 1 
        83 1  1 DC H2'  1  1 DC H6   2.400 . 2.400 2.021 1.812 2.794 0.394 2 0 "[    .]" 1 
        84 2  1 DC H2'  2  1 DC H6   2.400 . 2.400 2.021 1.813 2.795 0.395 2 0 "[    .]" 1 
        85 1  3 DC H2'' 1  4 DG H8   2.540 . 2.540 2.038 2.001 2.064     . 0 0 "[    .]" 1 
        86 2  3 DC H2'' 2  4 DG H8   2.540 . 2.540 2.038 2.000 2.064     . 0 0 "[    .]" 1 
        87 1  9 DC H2'' 1 10 DG H8   3.070 . 3.070 2.250 2.238 2.265     . 0 0 "[    .]" 1 
        88 2  9 DC H2'' 2 10 DG H8   3.070 . 3.070 2.251 2.238 2.265     . 0 0 "[    .]" 1 
        89 1  1 DC H2'' 1  2 DG H8   2.790 . 2.790 2.312 2.166 2.813 0.023 2 0 "[    .]" 1 
        90 2  1 DC H2'' 2  2 DG H8   2.790 . 2.790 2.311 2.165 2.813 0.023 2 0 "[    .]" 1 
        91 1 11 DC H2'  1 12 DG H8   3.520 . 3.520 3.345 3.235 3.419     . 0 0 "[    .]" 1 
        92 2 11 DC H2'  2 12 DG H8   3.520 . 3.520 3.345 3.237 3.419     . 0 0 "[    .]" 1 
        93 1  1 DC H2'  1  2 DG H8   3.420 . 3.420 3.414 2.325 3.718 0.298 4 0 "[    .]" 1 
        94 2  1 DC H2'  2  2 DG H8   3.420 . 3.420 3.414 2.325 3.718 0.298 4 0 "[    .]" 1 
        95 1 11 DC H2'' 1 12 DG H8   2.790 . 2.790 2.220 2.207 2.229     . 0 0 "[    .]" 1 
        96 2 11 DC H2'' 2 12 DG H8   2.790 . 2.790 2.220 2.207 2.228     . 0 0 "[    .]" 1 
        97 1 10 DG H2'  1 10 DG H8   2.200 . 2.200 2.265 2.253 2.277 0.077 1 0 "[    .]" 1 
        98 2 10 DG H2'  2 10 DG H8   2.200 . 2.200 2.264 2.253 2.275 0.075 1 0 "[    .]" 1 
        99 1  2 DG H2'  1  2 DG H8   2.230 . 2.230 2.194 2.183 2.203     . 0 0 "[    .]" 1 
       100 2  2 DG H2'  2  2 DG H8   2.230 . 2.230 2.195 2.182 2.203     . 0 0 "[    .]" 1 
       101 1 12 DG H2'  1 12 DG H8   2.200 . 2.200 2.216 2.214 2.222 0.022 2 0 "[    .]" 1 
       102 2 12 DG H2'  2 12 DG H8   2.200 . 2.200 2.216 2.214 2.221 0.021 2 0 "[    .]" 1 
       103 1 12 DG H1'  1 12 DG H2'' 2.200 . 2.200 2.318 2.317 2.319 0.119 1 0 "[    .]" 1 
       104 2 12 DG H1'  2 12 DG H2'' 2.200 . 2.200 2.318 2.317 2.319 0.119 4 0 "[    .]" 1 
       105 1  8 DT H1'  1  8 DT H2'' 2.260 . 2.260 2.331 2.330 2.333 0.073 1 0 "[    .]" 1 
       106 2  8 DT H1'  2  8 DT H2'' 2.260 . 2.260 2.331 2.330 2.335 0.075 1 0 "[    .]" 1 
       107 1  5 DA H1'  1  5 DA H2'' 2.380 . 2.380 2.327 2.323 2.329     . 0 0 "[    .]" 1 
       108 2  5 DA H1'  2  5 DA H2'' 2.380 . 2.380 2.327 2.323 2.329     . 0 0 "[    .]" 1 
       109 1  6 DA H1'  1  6 DA H2'' 2.200 . 2.200 2.324 2.324 2.325 0.125 5 0 "[    .]" 1 
       110 2  6 DA H1'  2  6 DA H2'' 2.200 . 2.200 2.325 2.324 2.325 0.125 2 0 "[    .]" 1 
       111 1  3 DC H1'  1  3 DC H2'' 2.540 . 2.540 2.327 2.325 2.331     . 0 0 "[    .]" 1 
       112 2  3 DC H1'  2  3 DC H2'' 2.540 . 2.540 2.325 2.323 2.330     . 0 0 "[    .]" 1 
       113 1  9 DC H1'  1  9 DC H2'' 2.720 . 2.720 2.342 2.342 2.343     . 0 0 "[    .]" 1 
       114 2  9 DC H1'  2  9 DC H2'' 2.720 . 2.720 2.342 2.341 2.343     . 0 0 "[    .]" 1 
       115 1 11 DC H1'  1 11 DC H2'' 2.560 . 2.560 2.328 2.326 2.329     . 0 0 "[    .]" 1 
       116 2 11 DC H1'  2 11 DC H2'' 2.560 . 2.560 2.329 2.326 2.331     . 0 0 "[    .]" 1 
       117 1  1 DC H1'  1  1 DC H2'' 2.470 . 2.470 2.325 2.284 2.336     . 0 0 "[    .]" 1 
       118 2  1 DC H1'  2  1 DC H2'' 2.470 . 2.470 2.324 2.284 2.335     . 0 0 "[    .]" 1 
       119 1 10 DG H2'  1 11 DC H5   3.390 . 3.390 3.195 3.155 3.231     . 0 0 "[    .]" 1 
       120 2 10 DG H2'  2 11 DC H5   3.390 . 3.390 3.195 3.153 3.232     . 0 0 "[    .]" 1 
       121 1  2 DG H2'  1  3 DC H5   3.620 . 3.620 3.266 3.162 3.322     . 0 0 "[    .]" 1 
       122 2  2 DG H2'  2  3 DC H5   3.620 . 3.620 3.268 3.164 3.324     . 0 0 "[    .]" 1 
       123 1  2 DG H2'' 1  3 DC H5   3.230 . 3.230 3.119 2.922 3.239 0.009 1 0 "[    .]" 1 
       124 2  2 DG H2'' 2  3 DC H5   3.230 . 3.230 3.120 2.924 3.241 0.011 1 0 "[    .]" 1 
       125 1  6 DA H3'  1  7 DT M7   6.000 . 6.000 4.052 4.014 4.081     . 0 0 "[    .]" 1 
       126 2  6 DA H3'  2  7 DT M7   6.000 . 6.000 4.053 4.015 4.082     . 0 0 "[    .]" 1 
       127 1  1 DC H2'  1  1 DC H3'  3.730 . 3.730 2.371 2.297 2.391     . 0 0 "[    .]" 1 
       128 2  1 DC H2'  2  1 DC H3'  3.730 . 3.730 2.370 2.297 2.390     . 0 0 "[    .]" 1 
       129 1  3 DC H2'  1  3 DC H3'  3.890 . 3.890 2.341 2.334 2.351     . 0 0 "[    .]" 1 
       130 2  3 DC H2'  2  3 DC H3'  3.890 . 3.890 2.341 2.334 2.351     . 0 0 "[    .]" 1 
       131 1 12 DG H2'  1 12 DG H3'  3.930 . 3.930 2.308 2.306 2.309     . 0 0 "[    .]" 1 
       132 2 12 DG H2'  2 12 DG H3'  3.930 . 3.930 2.308 2.305 2.309     . 0 0 "[    .]" 1 
       133 1  7 DT H1'  1  7 DT H2'' 2.200 . 2.200 2.328 2.327 2.330 0.130 4 0 "[    .]" 1 
       134 2  7 DT H1'  2  7 DT H2'' 2.200 . 2.200 2.329 2.328 2.330 0.130 2 0 "[    .]" 1 
       135 1  8 DT H2'' 1  9 DC H5   3.920 . 3.920 2.913 2.875 2.968     . 0 0 "[    .]" 1 
       136 2  8 DT H2'' 2  9 DC H5   3.920 . 3.920 2.914 2.879 2.967     . 0 0 "[    .]" 1 
       137 1  8 DT H2'  1  9 DC H5   3.410 . 3.410 2.902 2.859 2.957     . 0 0 "[    .]" 1 
       138 2  8 DT H2'  2  9 DC H5   3.410 . 3.410 2.904 2.865 2.960     . 0 0 "[    .]" 1 
       139 1  6 DA H2'  1  6 DA H3'  2.510 . 2.510 2.352 2.352 2.353     . 0 0 "[    .]" 1 
       140 2  6 DA H2'  2  6 DA H3'  2.510 . 2.510 2.352 2.351 2.353     . 0 0 "[    .]" 1 
       141 1  5 DA H2'  1  5 DA H3'  2.450 . 2.450 2.383 2.374 2.387     . 0 0 "[    .]" 1 
       142 2  5 DA H2'  2  5 DA H3'  2.450 . 2.450 2.383 2.373 2.387     . 0 0 "[    .]" 1 
       143 1 10 DG H2'  1 10 DG H3'  2.370 . 2.370 2.354 2.353 2.354     . 0 0 "[    .]" 1 
       144 2 10 DG H2'  2 10 DG H3'  2.370 . 2.370 2.353 2.352 2.354     . 0 0 "[    .]" 1 
       145 1  2 DG H2'  1  2 DG H3'  2.280 . 2.280 2.353 2.349 2.357 0.077 3 0 "[    .]" 1 
       146 2  2 DG H2'  2  2 DG H3'  2.280 . 2.280 2.353 2.349 2.357 0.077 1 0 "[    .]" 1 
       147 1  3 DC H2'  1  4 DG H3'  6.000 . 6.000 5.833 5.725 5.970     . 0 0 "[    .]" 1 
       148 2  3 DC H2'  2  4 DG H3'  6.000 . 6.000 5.832 5.722 5.970     . 0 0 "[    .]" 1 
       149 1  8 DT H2'  1  8 DT H3'  2.890 . 2.890 2.354 2.352 2.358     . 0 0 "[    .]" 1 
       150 2  8 DT H2'  2  8 DT H3'  2.890 . 2.890 2.353 2.351 2.356     . 0 0 "[    .]" 1 
       151 1  9 DC H2'  1  9 DC H3'  2.920 . 2.920 2.389 2.388 2.390     . 0 0 "[    .]" 1 
       152 2  9 DC H2'  2  9 DC H3'  2.920 . 2.920 2.388 2.387 2.389     . 0 0 "[    .]" 1 
       153 1  6 DA H2'' 1  7 DT H5'  5.130 . 5.130 3.282 3.265 3.298     . 0 0 "[    .]" 1 
       154 2  6 DA H2'' 2  7 DT H5'  5.130 . 5.130 3.283 3.266 3.302     . 0 0 "[    .]" 1 
       155 1  3 DC H2'' 1  4 DG H5'  5.260 . 5.260 4.048 3.898 4.222     . 0 0 "[    .]" 1 
       156 2  3 DC H2'' 2  4 DG H5'  5.260 . 5.260 4.047 3.897 4.221     . 0 0 "[    .]" 1 
       157 1  1 DC H3'  1  1 DC H5'  4.620 . 4.620 3.768 3.615 3.811     . 0 0 "[    .]" 1 
       158 2  1 DC H3'  2  1 DC H5'  4.620 . 4.620 3.768 3.614 3.811     . 0 0 "[    .]" 1 
       159 1 12 DG H3'  1 12 DG H4'  5.690 . 5.690 2.825 2.818 2.838     . 0 0 "[    .]" 1 
       160 2 12 DG H3'  2 12 DG H4'  5.690 . 5.690 2.825 2.819 2.838     . 0 0 "[    .]" 1 
       161 1 12 DG H3'  1 12 DG H5'' 4.370 . 4.370 2.622 2.602 2.656     . 0 0 "[    .]" 1 
       162 2 12 DG H3'  2 12 DG H5'' 4.370 . 4.370 2.621 2.603 2.656     . 0 0 "[    .]" 1 
       163 1  1 DC H3'  1  1 DC H4'  4.840 . 4.840 2.855 2.821 2.966     . 0 0 "[    .]" 1 
       164 2  1 DC H3'  2  1 DC H4'  4.840 . 4.840 2.855 2.822 2.966     . 0 0 "[    .]" 1 
       165 1  5 DA H3'  1  5 DA H4'  4.020 . 4.020 2.816 2.803 2.826     . 0 0 "[    .]" 1 
       166 2  5 DA H3'  2  5 DA H4'  4.020 . 4.020 2.816 2.803 2.827     . 0 0 "[    .]" 1 
       167 1  6 DA H3'  1  6 DA H4'  3.500 . 3.500 2.810 2.807 2.815     . 0 0 "[    .]" 1 
       168 2  6 DA H3'  2  6 DA H4'  3.500 . 3.500 2.810 2.807 2.815     . 0 0 "[    .]" 1 
       169 1 10 DG H3'  1 10 DG H4'  3.150 . 3.150 2.794 2.782 2.805     . 0 0 "[    .]" 1 
       170 2 10 DG H3'  2 10 DG H4'  3.150 . 3.150 2.794 2.783 2.804     . 0 0 "[    .]" 1 
       171 1  2 DG H3'  1  2 DG H4'  3.500 . 3.500 2.812 2.788 2.821     . 0 0 "[    .]" 1 
       172 2  2 DG H3'  2  2 DG H4'  3.500 . 3.500 2.812 2.789 2.821     . 0 0 "[    .]" 1 
       173 1  8 DT H3'  1  8 DT H4'  3.710 . 3.710 2.837 2.830 2.844     . 0 0 "[    .]" 1 
       174 2  8 DT H3'  2  8 DT H4'  3.710 . 3.710 2.838 2.831 2.844     . 0 0 "[    .]" 1 
       175 1  3 DC H3'  1  3 DC H4'  3.280 . 3.280 2.850 2.822 2.870     . 0 0 "[    .]" 1 
       176 2  3 DC H3'  2  3 DC H4'  3.280 . 3.280 2.850 2.822 2.870     . 0 0 "[    .]" 1 
       177 1  2 DG H3'  1  2 DG H5'' 3.230 . 3.230 2.664 2.617 2.691     . 0 0 "[    .]" 1 
       178 2  2 DG H3'  2  2 DG H5'' 3.230 . 3.230 2.664 2.617 2.692     . 0 0 "[    .]" 1 
       179 1 10 DG H3'  1 10 DG H5'' 3.230 . 3.230 2.636 2.624 2.651     . 0 0 "[    .]" 1 
       180 2 10 DG H3'  2 10 DG H5'' 3.230 . 3.230 2.635 2.622 2.650     . 0 0 "[    .]" 1 
       181 1  6 DA H3'  1  6 DA H5'' 2.980 . 2.980 2.641 2.632 2.667     . 0 0 "[    .]" 1 
       182 2  6 DA H3'  2  6 DA H5'' 2.980 . 2.980 2.641 2.633 2.666     . 0 0 "[    .]" 1 
       183 1  5 DA H3'  1  5 DA H5'' 3.280 . 3.280 2.545 2.480 2.574     . 0 0 "[    .]" 1 
       184 2  5 DA H3'  2  5 DA H5'' 3.280 . 3.280 2.545 2.481 2.573     . 0 0 "[    .]" 1 
       185 1  6 DA H1'  1  7 DT H5'  3.900 . 3.900 2.757 2.736 2.771     . 0 0 "[    .]" 1 
       186 2  6 DA H1'  2  7 DT H5'  3.900 . 3.900 2.758 2.738 2.774     . 0 0 "[    .]" 1 
       187 1  5 DA H1'  1  6 DA H5'  3.410 . 3.410 2.797 2.782 2.807     . 0 0 "[    .]" 1 
       188 2  5 DA H1'  2  6 DA H5'  3.410 . 3.410 2.796 2.781 2.808     . 0 0 "[    .]" 1 
       189 1  8 DT H1'  1  9 DC H5'  3.610 . 3.610 3.096 3.051 3.137     . 0 0 "[    .]" 1 
       190 2  8 DT H1'  2  9 DC H5'  3.610 . 3.610 3.096 3.053 3.136     . 0 0 "[    .]" 1 
       191 1  9 DC H1'  1 10 DG H5'' 5.460 . 5.460 4.735 4.717 4.750     . 0 0 "[    .]" 1 
       192 2  9 DC H1'  2 10 DG H5'' 5.460 . 5.460 4.734 4.718 4.750     . 0 0 "[    .]" 1 
       193 1  6 DA H2'' 1  7 DT M7   3.880 . 3.880 2.495 2.433 2.602     . 0 0 "[    .]" 1 
       194 2  6 DA H2'' 2  7 DT M7   3.880 . 3.880 2.496 2.433 2.604     . 0 0 "[    .]" 1 
       195 1  7 DT H2'' 1  8 DT M7   3.990 . 3.990 2.597 2.441 2.655     . 0 0 "[    .]" 1 
       196 2  7 DT H2'' 2  8 DT M7   3.990 . 3.990 2.597 2.442 2.655     . 0 0 "[    .]" 1 
       197 1  7 DT H2'  1  8 DT M7   3.270 . 3.270 2.142 2.132 2.154     . 0 0 "[    .]" 1 
       198 2  7 DT H2'  2  8 DT M7   3.270 . 3.270 2.142 2.131 2.155     . 0 0 "[    .]" 1 
       199 1  4 DG H3'  1  5 DA H8   6.000 . 6.000 3.613 3.547 3.688     . 0 0 "[    .]" 1 
       200 2  4 DG H3'  2  5 DA H8   6.000 . 6.000 3.612 3.547 3.687     . 0 0 "[    .]" 1 
       201 1  4 DG H3'  1  4 DG H8   3.930 . 3.930 2.871 2.772 2.928     . 0 0 "[    .]" 1 
       202 2  4 DG H3'  2  4 DG H8   3.930 . 3.930 2.872 2.770 2.929     . 0 0 "[    .]" 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              72
    _Distance_constraint_stats_list.Viol_count                    0
    _Distance_constraint_stats_list.Viol_total                    0.000
    _Distance_constraint_stats_list.Viol_max                      0.000
    _Distance_constraint_stats_list.Viol_rms                      0.0000
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0000
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0000
    _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  2 DG 0.000 0.000 . 0 "[    .]" 
       1  3 DC 0.000 0.000 . 0 "[    .]" 
       1  4 DG 0.000 0.000 . 0 "[    .]" 
       1  5 DA 0.000 0.000 . 0 "[    .]" 
       1  6 DA 0.000 0.000 . 0 "[    .]" 
       1  7 DT 0.000 0.000 . 0 "[    .]" 
       1  8 DT 0.000 0.000 . 0 "[    .]" 
       1  9 DC 0.000 0.000 . 0 "[    .]" 
       1 10 DG 0.000 0.000 . 0 "[    .]" 
       1 11 DC 0.000 0.000 . 0 "[    .]" 
       1 12 DG 0.000 0.000 . 0 "[    .]" 
       2  1 DC 0.000 0.000 . 0 "[    .]" 
       2  2 DG 0.000 0.000 . 0 "[    .]" 
       2  3 DC 0.000 0.000 . 0 "[    .]" 
       2  4 DG 0.000 0.000 . 0 "[    .]" 
       2  5 DA 0.000 0.000 . 0 "[    .]" 
       2  6 DA 0.000 0.000 . 0 "[    .]" 
       2  7 DT 0.000 0.000 . 0 "[    .]" 
       2  8 DT 0.000 0.000 . 0 "[    .]" 
       2  9 DC 0.000 0.000 . 0 "[    .]" 
       2 10 DG 0.000 0.000 . 0 "[    .]" 
       2 11 DC 0.000 0.000 . 0 "[    .]" 
       2 12 DG 0.000 0.000 . 0 "[    .]" 
    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 12 DG N1 2.870 2.670 3.070 2.853 2.845 2.858 . 0 0 "[    .]" 2 
        2 1  1 DC N3 2 12 DG H1 1.860     . 2.060 1.843 1.834 1.846 . 0 0 "[    .]" 2 
        3 1  1 DC N4 2 12 DG O6 2.810 2.610 3.010 2.827 2.813 2.855 . 0 0 "[    .]" 2 
        4 1  1 DC O2 2 12 DG N2 2.810 2.610 3.010 2.839 2.833 2.853 . 0 0 "[    .]" 2 
        5 1  1 DC N3 2 12 DG N2 3.580 3.380 3.780 3.561 3.546 3.568 . 0 0 "[    .]" 2 
        6 1  1 DC N3 2 12 DG O6 3.630 3.430 3.830 3.617 3.614 3.618 . 0 0 "[    .]" 2 
        7 1  2 DG N1 2 11 DC N3 2.870 2.670 3.070 2.849 2.840 2.853 . 0 0 "[    .]" 2 
        8 1  2 DG H1 2 11 DC N3 1.860     . 2.060 1.839 1.830 1.844 . 0 0 "[    .]" 2 
        9 1  2 DG O6 2 11 DC N4 2.810 2.610 3.010 2.859 2.853 2.871 . 0 0 "[    .]" 2 
       10 1  2 DG N2 2 11 DC O2 2.810 2.610 3.010 2.855 2.845 2.864 . 0 0 "[    .]" 2 
       11 1  2 DG N2 2 11 DC N3 3.580 3.380 3.780 3.569 3.559 3.572 . 0 0 "[    .]" 2 
       12 1  2 DG O6 2 11 DC N3 3.630 3.430 3.830 3.603 3.597 3.608 . 0 0 "[    .]" 2 
       13 1  3 DC N3 2 10 DG N1 2.870 2.670 3.070 2.832 2.824 2.839 . 0 0 "[    .]" 2 
       14 1  3 DC N3 2 10 DG H1 1.860     . 2.060 1.828 1.820 1.834 . 0 0 "[    .]" 2 
       15 1  3 DC N4 2 10 DG O6 2.810 2.610 3.010 2.881 2.878 2.885 . 0 0 "[    .]" 2 
       16 1  3 DC O2 2 10 DG N2 2.810 2.610 3.010 2.837 2.832 2.842 . 0 0 "[    .]" 2 
       17 1  3 DC N3 2 10 DG N2 3.580 3.380 3.780 3.566 3.561 3.573 . 0 0 "[    .]" 2 
       18 1  3 DC N3 2 10 DG O6 3.630 3.430 3.830 3.580 3.572 3.585 . 0 0 "[    .]" 2 
       19 1  4 DG N1 2  9 DC N3 2.870 2.670 3.070 2.801 2.796 2.808 . 0 0 "[    .]" 2 
       20 1  4 DG H1 2  9 DC N3 1.860     . 2.060 1.791 1.786 1.797 . 0 0 "[    .]" 2 
       21 1  4 DG O6 2  9 DC N4 2.810 2.610 3.010 2.930 2.926 2.938 . 0 0 "[    .]" 2 
       22 1  4 DG N2 2  9 DC O2 2.810 2.610 3.010 2.858 2.838 2.871 . 0 0 "[    .]" 2 
       23 1  4 DG N2 2  9 DC N3 3.580 3.380 3.780 3.519 3.512 3.527 . 0 0 "[    .]" 2 
       24 1  4 DG O6 2  9 DC N3 3.630 3.430 3.830 3.579 3.576 3.581 . 0 0 "[    .]" 2 
       25 1  9 DC N3 2  4 DG N1 2.870 2.670 3.070 2.801 2.795 2.807 . 0 0 "[    .]" 2 
       26 1  9 DC N3 2  4 DG H1 1.860     . 2.060 1.791 1.785 1.797 . 0 0 "[    .]" 2 
       27 1  9 DC N4 2  4 DG O6 2.810 2.610 3.010 2.929 2.924 2.934 . 0 0 "[    .]" 2 
       28 1  9 DC O2 2  4 DG N2 2.810 2.610 3.010 2.858 2.839 2.872 . 0 0 "[    .]" 2 
       29 1  9 DC N3 2  4 DG N2 3.580 3.380 3.780 3.518 3.512 3.526 . 0 0 "[    .]" 2 
       30 1  9 DC N3 2  4 DG O6 3.630 3.430 3.830 3.579 3.575 3.581 . 0 0 "[    .]" 2 
       31 1 10 DG N1 2  3 DC N3 2.870 2.670 3.070 2.831 2.821 2.839 . 0 0 "[    .]" 2 
       32 1 10 DG H1 2  3 DC N3 1.860     . 2.060 1.827 1.818 1.835 . 0 0 "[    .]" 2 
       33 1 10 DG O6 2  3 DC N4 2.810 2.610 3.010 2.881 2.878 2.885 . 0 0 "[    .]" 2 
       34 1 10 DG N2 2  3 DC O2 2.810 2.610 3.010 2.837 2.833 2.842 . 0 0 "[    .]" 2 
       35 1 10 DG N2 2  3 DC N3 3.580 3.380 3.780 3.565 3.559 3.574 . 0 0 "[    .]" 2 
       36 1 10 DG O6 2  3 DC N3 3.630 3.430 3.830 3.579 3.571 3.583 . 0 0 "[    .]" 2 
       37 1 11 DC N3 2  2 DG N1 2.870 2.670 3.070 2.848 2.841 2.852 . 0 0 "[    .]" 2 
       38 1 11 DC N3 2  2 DG H1 1.860     . 2.060 1.837 1.829 1.842 . 0 0 "[    .]" 2 
       39 1 11 DC N4 2  2 DG O6 2.810 2.610 3.010 2.858 2.852 2.870 . 0 0 "[    .]" 2 
       40 1 11 DC O2 2  2 DG N2 2.810 2.610 3.010 2.855 2.843 2.865 . 0 0 "[    .]" 2 
       41 1 11 DC N3 2  2 DG N2 3.580 3.380 3.780 3.568 3.561 3.570 . 0 0 "[    .]" 2 
       42 1 11 DC N3 2  2 DG O6 3.630 3.430 3.830 3.603 3.596 3.608 . 0 0 "[    .]" 2 
       43 1 12 DG N1 2  1 DC N3 2.870 2.670 3.070 2.853 2.844 2.857 . 0 0 "[    .]" 2 
       44 1 12 DG H1 2  1 DC N3 1.860     . 2.060 1.843 1.834 1.847 . 0 0 "[    .]" 2 
       45 1 12 DG O6 2  1 DC N4 2.810 2.610 3.010 2.828 2.813 2.855 . 0 0 "[    .]" 2 
       46 1 12 DG N2 2  1 DC O2 2.810 2.610 3.010 2.839 2.834 2.853 . 0 0 "[    .]" 2 
       47 1 12 DG N2 2  1 DC N3 3.580 3.380 3.780 3.561 3.547 3.568 . 0 0 "[    .]" 2 
       48 1 12 DG O6 2  1 DC N3 3.630 3.430 3.830 3.617 3.614 3.619 . 0 0 "[    .]" 2 
       49 1  5 DA N1 2  8 DT N3 2.920 2.720 3.120 2.881 2.876 2.884 . 0 0 "[    .]" 2 
       50 1  5 DA N1 2  8 DT H3 1.810     . 2.010 1.871 1.868 1.875 . 0 0 "[    .]" 2 
       51 1  5 DA N6 2  8 DT O4 2.890 2.690 3.090 2.874 2.868 2.878 . 0 0 "[    .]" 2 
       52 1  5 DA H2 2  8 DT O2 2.940 2.740 3.140 3.021 3.012 3.030 . 0 0 "[    .]" 2 
       53 1  5 DA N1 2  8 DT O4 3.690 3.490 3.890 3.663 3.661 3.666 . 0 0 "[    .]" 2 
       54 1  5 DA N1 2  8 DT O2 3.670 3.470 3.870 3.660 3.656 3.665 . 0 0 "[    .]" 2 
       55 1  6 DA N1 2  7 DT N3 2.920 2.720 3.120 2.833 2.822 2.838 . 0 0 "[    .]" 2 
       56 1  6 DA N1 2  7 DT H3 1.810     . 2.010 1.832 1.822 1.837 . 0 0 "[    .]" 2 
       57 1  6 DA N6 2  7 DT O4 2.890 2.690 3.090 2.972 2.968 2.982 . 0 0 "[    .]" 2 
       58 1  6 DA H2 2  7 DT O2 2.940 2.740 3.140 2.999 2.991 3.023 . 0 0 "[    .]" 2 
       59 1  6 DA N1 2  7 DT O4 3.690 3.490 3.890 3.632 3.628 3.634 . 0 0 "[    .]" 2 
       60 1  6 DA N1 2  7 DT O2 3.670 3.470 3.870 3.617 3.605 3.624 . 0 0 "[    .]" 2 
       61 1  7 DT N3 2  6 DA N1 2.920 2.720 3.120 2.834 2.824 2.837 . 0 0 "[    .]" 2 
       62 1  7 DT H3 2  6 DA N1 1.810     . 2.010 1.833 1.824 1.835 . 0 0 "[    .]" 2 
       63 1  7 DT O4 2  6 DA N6 2.890 2.690 3.090 2.972 2.968 2.980 . 0 0 "[    .]" 2 
       64 1  7 DT O2 2  6 DA H2 2.940 2.740 3.140 2.999 2.991 3.024 . 0 0 "[    .]" 2 
       65 1  7 DT O4 2  6 DA N1 3.690 3.490 3.890 3.632 3.629 3.634 . 0 0 "[    .]" 2 
       66 1  7 DT O2 2  6 DA N1 3.670 3.470 3.870 3.617 3.606 3.623 . 0 0 "[    .]" 2 
       67 1  8 DT N3 2  5 DA N1 2.920 2.720 3.120 2.881 2.878 2.883 . 0 0 "[    .]" 2 
       68 1  8 DT H3 2  5 DA N1 1.810     . 2.010 1.872 1.867 1.874 . 0 0 "[    .]" 2 
       69 1  8 DT O4 2  5 DA N6 2.890 2.690 3.090 2.873 2.868 2.877 . 0 0 "[    .]" 2 
       70 1  8 DT O2 2  5 DA H2 2.940 2.740 3.140 3.021 3.014 3.028 . 0 0 "[    .]" 2 
       71 1  8 DT O4 2  5 DA N1 3.690 3.490 3.890 3.664 3.662 3.666 . 0 0 "[    .]" 2 
       72 1  8 DT O2 2  5 DA N1 3.670 3.470 3.870 3.660 3.656 3.663 . 0 0 "[    .]" 2 
    stop_

save_



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