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
550425 2lia 17885 cing 4-filtered-FRED Wattos check violation distance


data_2lia


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              281
    _Distance_constraint_stats_list.Viol_count                    252
    _Distance_constraint_stats_list.Viol_total                    263.968
    _Distance_constraint_stats_list.Viol_max                      2.974
    _Distance_constraint_stats_list.Viol_rms                      0.7715
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.9394
    _Distance_constraint_stats_list.Viol_average_violations_only  1.0475
    _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 DG  5.764 1.095 1 1 [+] 
       1  2 DA  8.820 1.903 1 1 [+] 
       1  3 DG  8.886 1.903 1 1 [+] 
       1  4 DA  5.806 1.317 1 1 [+] 
       1  6 DC  8.053 2.180 1 1 [+] 
       1  7 DG 11.895 1.821 1 1 [+] 
       1  8 DC 22.410 2.792 1 1 [+] 
       1  9 DT 33.226 2.792 1 1 [+] 
       1 10 DC 36.888 2.741 1 1 [+] 
       1 11 DT 35.799 2.743 1 1 [+] 
       1 12 DC 15.865 2.542 1 1 [+] 
       2  1 DG  5.775 1.088 1 1 [+] 
       2  2 DA  8.165 1.469 1 1 [+] 
       2  3 DG  8.845 1.469 1 1 [+] 
       2  4 DA  5.917 1.408 1 1 [+] 
       2  6 DC  8.048 2.180 1 1 [+] 
       2  7 DG 11.853 1.742 1 1 [+] 
       2  8 DC 22.832 2.878 1 1 [+] 
       2  9 DT 36.775 2.974 1 1 [+] 
       2 10 DC 40.023 2.974 1 1 [+] 
       2 11 DT 36.249 2.754 1 1 [+] 
       2 12 DC 16.228 2.562 1 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 DG H1' 1  1 DG Q2' . . 1.940 2.212 2.212 2.212 0.272 1 0 "[ ]" 1 
         2 1  1 DG H1' 1  1 DG H3' . . 2.950 3.905 3.905 3.905 0.955 1 1  [+]  1 
         3 1  1 DG H1' 1  1 DG H8  . . 2.800 3.895 3.895 3.895 1.095 1 1  [+]  1 
         4 1  1 DG H1' 1  2 DA H8  . . 3.230 3.774 3.774 3.774 0.544 1 1  [+]  1 
         5 1  1 DG Q2' 1  1 DG H3' . . 1.700 2.178 2.178 2.178 0.478 1 0 "[ ]" 1 
         6 1  1 DG Q2' 1  1 DG H8  . . 1.850 2.267 2.267 2.267 0.417 1 0 "[ ]" 1 
         7 1  1 DG Q2' 1  2 DA H8  . . 2.620 2.559 2.559 2.559     . 0 0 "[ ]" 1 
         8 1  1 DG H3' 1  1 DG H8  . . 3.240 4.166 4.166 4.166 0.926 1 1  [+]  1 
         9 1  1 DG H3' 1  2 DA H8  . . 4.150 5.229 5.229 5.229 1.079 1 1  [+]  1 
        10 1  2 DA H1' 1  2 DA Q2' . . 1.730 2.302 2.302 2.302 0.572 1 1  [+]  1 
        11 1  2 DA H1' 1  2 DA H3' . . 3.320 3.757 3.757 3.757 0.437 1 0 "[ ]" 1 
        12 1  2 DA H1' 1  2 DA H8  . . 3.140 3.911 3.911 3.911 0.771 1 1  [+]  1 
        13 1  2 DA H1' 1  3 DG H8  . . 3.390 3.537 3.537 3.537 0.147 1 0 "[ ]" 1 
        14 1  2 DA Q2' 1  2 DA H3' . . 2.050 2.231 2.231 2.231 0.181 1 0 "[ ]" 1 
        15 1  2 DA Q2' 1  2 DA H8  . . 2.120 2.391 2.391 2.391 0.271 1 0 "[ ]" 1 
        16 1  2 DA Q2' 1  3 DG H8  . . 2.350 2.411 2.411 2.411 0.061 1 0 "[ ]" 1 
        17 1  2 DA H3' 1  2 DA H8  . . 3.240 4.627 4.627 4.627 1.387 1 1  [+]  1 
        18 1  2 DA H3' 1  3 DG H8  . . 3.310 4.776 4.776 4.776 1.466 1 1  [+]  1 
        19 1  2 DA H8  1  3 DG H8  . . 3.720 5.623 5.623 5.623 1.903 1 1  [+]  1 
        20 1  3 DG H1' 1  3 DG Q2' . . 1.960 2.234 2.234 2.234 0.274 1 0 "[ ]" 1 
        21 1  3 DG H1' 1  3 DG H3' . . 2.910 3.877 3.877 3.877 0.967 1 1  [+]  1 
        22 1  3 DG H1' 1  3 DG H8  . . 3.130 3.903 3.903 3.903 0.773 1 1  [+]  1 
        23 1  3 DG H1' 1  4 DA H8  . . 2.760 3.601 3.601 3.601 0.841 1 1  [+]  1 
        24 1  3 DG Q2' 1  3 DG H3' . . 2.140 2.227 2.227 2.227 0.087 1 0 "[ ]" 1 
        25 1  3 DG Q2' 1  3 DG H8  . . 2.250 2.347 2.347 2.347 0.097 1 0 "[ ]" 1 
        26 1  3 DG Q2' 1  4 DA H8  . . 2.320 2.246 2.246 2.246     . 0 0 "[ ]" 1 
        27 1  3 DG H3' 1  3 DG H8  . . 3.370 4.323 4.323 4.323 0.953 1 1  [+]  1 
        28 1  3 DG H8  1  4 DA H8  . . 3.680 4.997 4.997 4.997 1.317 1 1  [+]  1 
        29 1  4 DA H1' 1  4 DA Q2' . . 1.730 2.254 2.254 2.254 0.524 1 1  [+]  1 
        30 1  4 DA H1' 1  4 DA H3' . . 3.060 3.861 3.861 3.861 0.801 1 1  [+]  1 
        31 1  4 DA H1' 1  4 DA H8  . . 3.180 3.872 3.872 3.872 0.692 1 1  [+]  1 
        32 1  4 DA Q2' 1  4 DA H3' . . 1.920 2.174 2.174 2.174 0.254 1 0 "[ ]" 1 
        33 1  4 DA Q2' 1  4 DA H8  . . 1.950 2.158 2.158 2.158 0.208 1 0 "[ ]" 1 
        34 1  4 DA H3' 1  4 DA H8  . . 3.070 4.239 4.239 4.239 1.169 1 1  [+]  1 
        35 1  6 DC H1' 1  6 DC Q2' . . 1.950 2.279 2.279 2.279 0.329 1 0 "[ ]" 1 
        36 1  6 DC H1' 1  6 DC H3' . . 3.410 3.846 3.846 3.846 0.436 1 0 "[ ]" 1 
        37 1  6 DC H1' 1  6 DC H5  . . 3.870 5.426 5.426 5.426 1.556 1 1  [+]  1 
        38 1  6 DC H1' 1  6 DC H6  . . 3.100 3.683 3.683 3.683 0.583 1 1  [+]  1 
        39 1  6 DC Q2' 1  6 DC H3' . . 2.330 2.199 2.199 2.199     . 0 0 "[ ]" 1 
        40 1  6 DC Q2' 1  6 DC H5  . . 3.090 4.194 4.194 4.194 1.104 1 1  [+]  1 
        41 1  6 DC Q2' 1  6 DC H6  . . 2.190 2.183 2.183 2.183     . 0 0 "[ ]" 1 
        42 1  6 DC Q2' 1  7 DG H8  . . 2.480 2.210 2.210 2.210     . 0 0 "[ ]" 1 
        43 1  6 DC H3' 1  6 DC H5  . . 4.080 6.260 6.260 6.260 2.180 1 1  [+]  1 
        44 1  6 DC H3' 1  6 DC H6  . . 3.130 3.859 3.859 3.859 0.729 1 1  [+]  1 
        45 1  6 DC H6  1  7 DG H8  . . 3.650 4.786 4.786 4.786 1.136 1 1  [+]  1 
        46 1  7 DG H1' 1  7 DG Q2' . . 1.860 2.287 2.287 2.287 0.427 1 0 "[ ]" 1 
        47 1  7 DG H1' 1  7 DG H3' . . 3.020 3.840 3.840 3.840 0.820 1 1  [+]  1 
        48 1  7 DG H1' 1  7 DG H8  . . 2.610 3.892 3.892 3.892 1.282 1 1  [+]  1 
        49 1  7 DG H1' 1  8 DC H5  . . 3.500 4.550 4.550 4.550 1.050 1 1  [+]  1 
        50 1  7 DG Q2' 1  7 DG H3' . . 2.170 2.186 2.186 2.186 0.016 1 0 "[ ]" 1 
        51 1  7 DG Q2' 1  7 DG H8  . . 1.780 2.328 2.328 2.328 0.548 1 1  [+]  1 
        52 1  7 DG Q2' 1  8 DC H5  . . 2.660 2.873 2.873 2.873 0.213 1 0 "[ ]" 1 
        53 1  7 DG Q2' 1  8 DC H6  . . 2.210 2.263 2.263 2.263 0.053 1 0 "[ ]" 1 
        54 1  7 DG H3' 1  7 DG H8  . . 3.100 4.264 4.264 4.264 1.164 1 1  [+]  1 
        55 1  7 DG H3' 1  8 DC H5  . . 3.640 5.296 5.296 5.296 1.656 1 1  [+]  1 
        56 1  7 DG H3' 1  8 DC H6  . . 3.650 4.899 4.899 4.899 1.249 1 1  [+]  1 
        57 1  7 DG H8  1  8 DC H5  . . 3.250 3.710 3.710 3.710 0.460 1 0 "[ ]" 1 
        58 1  7 DG H8  1  8 DC H6  . . 3.230 5.051 5.051 5.051 1.821 1 1  [+]  1 
        59 1  8 DC H1' 1  8 DC Q2' . . 1.620 2.163 2.163 2.163 0.543 1 1  [+]  1 
        60 1  8 DC H1' 1  8 DC H3' . . 3.030 3.936 3.936 3.936 0.906 1 1  [+]  1 
        61 1  8 DC H1' 1  8 DC H6  . . 2.350 3.737 3.737 3.737 1.387 1 1  [+]  1 
        62 1  8 DC H1' 1  9 DT Q2' . . 2.490 5.282 5.282 5.282 2.792 1 1  [+]  1 
        63 1  8 DC H1' 1  9 DT H6  . . 2.230 4.096 4.096 4.096 1.866 1 1  [+]  1 
        64 1  8 DC H1' 1  9 DT M7  . . 2.890 4.351 4.351 4.351 1.461 1 1  [+]  1 
        65 1  8 DC Q2' 1  8 DC H3' . . 2.260 2.191 2.191 2.191     . 0 0 "[ ]" 1 
        66 1  8 DC Q2' 1  8 DC H5  . . 3.350 4.406 4.406 4.406 1.056 1 1  [+]  1 
        67 1  8 DC Q2' 1  8 DC H6  . . 2.190 2.505 2.505 2.505 0.315 1 0 "[ ]" 1 
        68 1  8 DC Q2' 1  9 DT H3' . . 3.190 4.167 4.167 4.167 0.977 1 1  [+]  1 
        69 1  8 DC Q2' 1  9 DT H6  . . 2.180 2.264 2.264 2.264 0.084 1 0 "[ ]" 1 
        70 1  8 DC Q2' 1  9 DT M7  . . 2.750 2.296 2.296 2.296     . 0 0 "[ ]" 1 
        71 1  8 DC H3' 1  8 DC H5  . . 3.790 5.831 5.831 5.831 2.041 1 1  [+]  1 
        72 1  8 DC H3' 1  8 DC H6  . . 3.130 3.453 3.453 3.453 0.323 1 0 "[ ]" 1 
        73 1  8 DC H3' 1  9 DT H6  . . 3.410 4.612 4.612 4.612 1.202 1 1  [+]  1 
        74 1  8 DC H3' 1  9 DT M7  . . 3.470 3.940 3.940 3.940 0.470 1 0 "[ ]" 1 
        75 1  8 DC H5  1  9 DT M7  . . 3.080 3.445 3.445 3.445 0.365 1 0 "[ ]" 1 
        76 1  8 DC H6  1  9 DT M7  . . 2.810 2.930 2.930 2.930 0.120 1 0 "[ ]" 1 
        77 1  9 DT H1' 1  9 DT Q2' . . 1.900 2.229 2.229 2.229 0.329 1 0 "[ ]" 1 
        78 1  9 DT H1' 1  9 DT H3' . . 2.170 3.931 3.931 3.931 1.761 1 1  [+]  1 
        79 1  9 DT H1' 1  9 DT H6  . . 2.030 3.656 3.656 3.656 1.626 1 1  [+]  1 
        80 1  9 DT H1' 1  9 DT M7  . . 2.680 5.110 5.110 5.110 2.430 1 1  [+]  1 
        81 1  9 DT H1' 1 10 DC H5  . . 3.250 5.228 5.228 5.228 1.978 1 1  [+]  1 
        82 1  9 DT H1' 1 10 DC H6  . . 2.580 4.222 4.222 4.222 1.642 1 1  [+]  1 
        83 1  9 DT Q2' 1  9 DT H3' . . 2.060 2.227 2.227 2.227 0.167 1 0 "[ ]" 1 
        84 1  9 DT Q2' 1  9 DT H6  . . 1.650 2.112 2.112 2.112 0.462 1 0 "[ ]" 1 
        85 1  9 DT Q2' 1  9 DT M7  . . 2.360 3.581 3.581 3.581 1.221 1 1  [+]  1 
        86 1  9 DT Q2' 1 10 DC H1' . . 1.970 4.448 4.448 4.448 2.478 1 1  [+]  1 
        87 1  9 DT Q2' 1 10 DC H3' . . 1.890 4.086 4.086 4.086 2.196 1 1  [+]  1 
        88 1  9 DT Q2' 1 10 DC H5  . . 2.600 2.878 2.878 2.878 0.278 1 0 "[ ]" 1 
        89 1  9 DT Q2' 1 10 DC H6  . . 1.770 2.117 2.117 2.117 0.347 1 0 "[ ]" 1 
        90 1  9 DT H3' 1  9 DT H6  . . 2.850 3.607 3.607 3.607 0.757 1 1  [+]  1 
        91 1  9 DT H3' 1  9 DT M7  . . 3.830 5.057 5.057 5.057 1.227 1 1  [+]  1 
        92 1  9 DT H3' 1 10 DC H5  . . 3.600 5.032 5.032 5.032 1.432 1 1  [+]  1 
        93 1  9 DT H3' 1 10 DC H6  . . 3.840 4.263 4.263 4.263 0.423 1 0 "[ ]" 1 
        94 1  9 DT H6  1  9 DT M7  . . 2.370 2.179 2.179 2.179     . 0 0 "[ ]" 1 
        95 1  9 DT H6  1 10 DC H5  . . 2.850 3.244 3.244 3.244 0.394 1 0 "[ ]" 1 
        96 1  9 DT M7  1 10 DC Q2' . . 3.180 5.921 5.921 5.921 2.741 1 1  [+]  1 
        97 1  9 DT M7  1 10 DC H5  . . 3.210 2.820 2.820 2.820     . 0 0 "[ ]" 1 
        98 1 10 DC H1' 1 10 DC Q2' . . 2.010 2.245 2.245 2.245 0.235 1 0 "[ ]" 1 
        99 1 10 DC H1' 1 10 DC H3' . . 3.060 3.854 3.854 3.854 0.794 1 1  [+]  1 
       100 1 10 DC H1' 1 10 DC H5  . . 3.330 5.454 5.454 5.454 2.124 1 1  [+]  1 
       101 1 10 DC H1' 1 10 DC H6  . . 2.550 3.771 3.771 3.771 1.221 1 1  [+]  1 
       102 1 10 DC H1' 1 11 DT H3' . . 2.310 4.920 4.920 4.920 2.610 1 1  [+]  1 
       103 1 10 DC H1' 1 11 DT H6  . . 2.060 3.579 3.579 3.579 1.519 1 1  [+]  1 
       104 1 10 DC H1' 1 11 DT M7  . . 3.030 4.533 4.533 4.533 1.503 1 1  [+]  1 
       105 1 10 DC Q2' 1 10 DC H3' . . 2.050 2.193 2.193 2.193 0.143 1 0 "[ ]" 1 
       106 1 10 DC Q2' 1 10 DC H5  . . 2.560 4.056 4.056 4.056 1.496 1 1  [+]  1 
       107 1 10 DC Q2' 1 10 DC H6  . . 2.050 2.148 2.148 2.148 0.098 1 0 "[ ]" 1 
       108 1 10 DC Q2' 1 11 DT H1' . . 1.950 4.536 4.536 4.536 2.586 1 1  [+]  1 
       109 1 10 DC Q2' 1 11 DT H3' . . 1.850 3.379 3.379 3.379 1.529 1 1  [+]  1 
       110 1 10 DC Q2' 1 11 DT H6  . . 2.080 2.115 2.115 2.115 0.035 1 0 "[ ]" 1 
       111 1 10 DC Q2' 1 11 DT M7  . . 3.010 2.549 2.549 2.549     . 0 0 "[ ]" 1 
       112 1 10 DC H3' 1 10 DC H5  . . 3.700 6.174 6.174 6.174 2.474 1 1  [+]  1 
       113 1 10 DC H3' 1 10 DC H6  . . 3.040 3.871 3.871 3.871 0.831 1 1  [+]  1 
       114 1 10 DC H3' 1 11 DT H6  . . 2.550 4.705 4.705 4.705 2.155 1 1  [+]  1 
       115 1 10 DC H3' 1 11 DT M7  . . 3.430 4.449 4.449 4.449 1.019 1 1  [+]  1 
       116 1 10 DC H5  1 11 DT M7  . . 2.820 2.746 2.746 2.746     . 0 0 "[ ]" 1 
       117 1 10 DC H6  1 11 DT M7  . . 2.480 3.087 3.087 3.087 0.607 1 1  [+]  1 
       118 1 11 DT H1' 1 11 DT Q2' . . 2.120 2.174 2.174 2.174 0.054 1 0 "[ ]" 1 
       119 1 11 DT H1' 1 11 DT H3' . . 2.190 3.845 3.845 3.845 1.655 1 1  [+]  1 
       120 1 11 DT H1' 1 11 DT H6  . . 1.880 3.704 3.704 3.704 1.824 1 1  [+]  1 
       121 1 11 DT H1' 1 11 DT M7  . . 2.460 5.203 5.203 5.203 2.743 1 1  [+]  1 
       122 1 11 DT H1' 1 12 DC H6  . . 2.670 4.367 4.367 4.367 1.697 1 1  [+]  1 
       123 1 11 DT Q2' 1 11 DT H3' . . 1.800 2.147 2.147 2.147 0.347 1 0 "[ ]" 1 
       124 1 11 DT Q2' 1 11 DT H6  . . 1.670 2.668 2.668 2.668 0.998 1 1  [+]  1 
       125 1 11 DT Q2' 1 11 DT M7  . . 2.550 3.922 3.922 3.922 1.372 1 1  [+]  1 
       126 1 11 DT Q2' 1 12 DC H1' . . 1.720 3.689 3.689 3.689 1.969 1 1  [+]  1 
       127 1 11 DT Q2' 1 12 DC H3' . . 2.020 3.800 3.800 3.800 1.780 1 1  [+]  1 
       128 1 11 DT Q2' 1 12 DC H5  . . 3.030 2.955 2.955 2.955     . 0 0 "[ ]" 1 
       129 1 11 DT Q2' 1 12 DC H6  . . 1.850 2.219 2.219 2.219 0.369 1 0 "[ ]" 1 
       130 1 11 DT H3' 1 11 DT M7  . . 2.980 4.538 4.538 4.538 1.558 1 1  [+]  1 
       131 1 11 DT H3' 1 12 DC H5  . . 3.400 4.831 4.831 4.831 1.431 1 1  [+]  1 
       132 1 11 DT H3' 1 12 DC H6  . . 2.930 4.267 4.267 4.267 1.337 1 1  [+]  1 
       133 1 11 DT H6  1 11 DT M7  . . 2.230 2.268 2.268 2.268 0.038 1 0 "[ ]" 1 
       134 1 11 DT H6  1 12 DC H6  . . 2.580 5.122 5.122 5.122 2.542 1 1  [+]  1 
       135 1 11 DT M7  1 12 DC H5  . . 3.450 3.972 3.972 3.972 0.522 1 1  [+]  1 
       136 1 12 DC H1' 1 12 DC H3' . . 3.470 3.859 3.859 3.859 0.389 1 0 "[ ]" 1 
       137 1 12 DC H1' 1 12 DC H5  . . 3.430 5.422 5.422 5.422 1.992 1 1  [+]  1 
       138 1 12 DC H1' 1 12 DC H6  . . 2.260 3.714 3.714 3.714 1.454 1 1  [+]  1 
       139 1 12 DC H3' 1 12 DC H5  . . 4.060 4.443 4.443 4.443 0.383 1 0 "[ ]" 1 
       140 1 12 DC H3' 1 12 DC H6  . . 2.420 2.385 2.385 2.385     . 0 0 "[ ]" 1 
       141 2  1 DG H1' 2  1 DG Q2' . . 1.940 2.198 2.198 2.198 0.258 1 0 "[ ]" 1 
       142 2  1 DG H1' 2  1 DG H3' . . 2.950 3.917 3.917 3.917 0.967 1 1  [+]  1 
       143 2  1 DG H1' 2  1 DG H8  . . 2.800 3.888 3.888 3.888 1.088 1 1  [+]  1 
       144 2  1 DG H1' 2  2 DA H8  . . 3.230 3.797 3.797 3.797 0.567 1 1  [+]  1 
       145 2  1 DG Q2' 2  1 DG H3' . . 1.700 2.199 2.199 2.199 0.499 1 0 "[ ]" 1 
       146 2  1 DG Q2' 2  1 DG H8  . . 1.850 2.271 2.271 2.271 0.421 1 0 "[ ]" 1 
       147 2  1 DG Q2' 2  2 DA H8  . . 2.620 2.583 2.583 2.583     . 0 0 "[ ]" 1 
       148 2  1 DG H3' 2  1 DG H8  . . 3.240 4.130 4.130 4.130 0.890 1 1  [+]  1 
       149 2  1 DG H3' 2  2 DA H8  . . 4.150 5.235 5.235 5.235 1.085 1 1  [+]  1 
       150 2  2 DA H1' 2  2 DA Q2' . . 1.730 2.295 2.295 2.295 0.565 1 1  [+]  1 
       151 2  2 DA H1' 2  2 DA H3' . . 3.320 3.852 3.852 3.852 0.532 1 1  [+]  1 
       152 2  2 DA H1' 2  2 DA H8  . . 3.140 3.867 3.867 3.867 0.727 1 1  [+]  1 
       153 2  2 DA H1' 2  3 DG H8  . . 3.390 4.128 4.128 4.128 0.738 1 1  [+]  1 
       154 2  2 DA Q2' 2  2 DA H3' . . 2.050 2.143 2.143 2.143 0.093 1 0 "[ ]" 1 
       155 2  2 DA Q2' 2  2 DA H8  . . 2.120 2.545 2.545 2.545 0.425 1 0 "[ ]" 1 
       156 2  2 DA Q2' 2  3 DG H8  . . 2.350 2.305 2.305 2.305     . 0 0 "[ ]" 1 
       157 2  2 DA H3' 2  2 DA H8  . . 3.240 4.118 4.118 4.118 0.878 1 1  [+]  1 
       158 2  2 DA H3' 2  3 DG H8  . . 3.310 4.779 4.779 4.779 1.469 1 1  [+]  1 
       159 2  2 DA H8  2  3 DG H8  . . 3.720 4.807 4.807 4.807 1.087 1 1  [+]  1 
       160 2  3 DG H1' 2  3 DG Q2' . . 1.960 2.276 2.276 2.276 0.316 1 0 "[ ]" 1 
       161 2  3 DG H1' 2  3 DG H3' . . 2.910 3.749 3.749 3.749 0.839 1 1  [+]  1 
       162 2  3 DG H1' 2  3 DG H8  . . 3.130 3.900 3.900 3.900 0.770 1 1  [+]  1 
       163 2  3 DG H1' 2  4 DA H8  . . 2.760 3.614 3.614 3.614 0.854 1 1  [+]  1 
       164 2  3 DG Q2' 2  3 DG H3' . . 2.140 2.253 2.253 2.253 0.113 1 0 "[ ]" 1 
       165 2  3 DG Q2' 2  3 DG H8  . . 2.250 2.319 2.319 2.319 0.069 1 0 "[ ]" 1 
       166 2  3 DG Q2' 2  4 DA H8  . . 2.320 2.319 2.319 2.319     . 0 0 "[ ]" 1 
       167 2  3 DG H3' 2  3 DG H8  . . 3.370 4.554 4.554 4.554 1.184 1 1  [+]  1 
       168 2  3 DG H8  2  4 DA H8  . . 3.680 5.088 5.088 5.088 1.408 1 1  [+]  1 
       169 2  4 DA H1' 2  4 DA Q2' . . 1.730 2.246 2.246 2.246 0.516 1 1  [+]  1 
       170 2  4 DA H1' 2  4 DA H3' . . 3.060 3.879 3.879 3.879 0.819 1 1  [+]  1 
       171 2  4 DA H1' 2  4 DA H8  . . 3.180 3.873 3.873 3.873 0.693 1 1  [+]  1 
       172 2  4 DA Q2' 2  4 DA H3' . . 1.920 2.178 2.178 2.178 0.258 1 0 "[ ]" 1 
       173 2  4 DA Q2' 2  4 DA H8  . . 1.950 2.175 2.175 2.175 0.225 1 0 "[ ]" 1 
       174 2  4 DA H3' 2  4 DA H8  . . 3.070 4.214 4.214 4.214 1.144 1 1  [+]  1 
       175 2  6 DC H1' 2  6 DC Q2' . . 1.950 2.267 2.267 2.267 0.317 1 0 "[ ]" 1 
       176 2  6 DC H1' 2  6 DC H3' . . 3.410 3.843 3.843 3.843 0.433 1 0 "[ ]" 1 
       177 2  6 DC H1' 2  6 DC H5  . . 3.870 5.436 5.436 5.436 1.566 1 1  [+]  1 
       178 2  6 DC H1' 2  6 DC H6  . . 3.100 3.678 3.678 3.678 0.578 1 1  [+]  1 
       179 2  6 DC Q2' 2  6 DC H3' . . 2.330 2.225 2.225 2.225     . 0 0 "[ ]" 1 
       180 2  6 DC Q2' 2  6 DC H5  . . 3.090 4.203 4.203 4.203 1.113 1 1  [+]  1 
       181 2  6 DC Q2' 2  6 DC H6  . . 2.190 2.156 2.156 2.156     . 0 0 "[ ]" 1 
       182 2  6 DC Q2' 2  7 DG H8  . . 2.480 2.303 2.303 2.303     . 0 0 "[ ]" 1 
       183 2  6 DC H3' 2  6 DC H5  . . 4.080 6.260 6.260 6.260 2.180 1 1  [+]  1 
       184 2  6 DC H3' 2  6 DC H6  . . 3.130 3.828 3.828 3.828 0.698 1 1  [+]  1 
       185 2  6 DC H6  2  7 DG H8  . . 3.650 4.814 4.814 4.814 1.164 1 1  [+]  1 
       186 2  7 DG H1' 2  7 DG Q2' . . 1.860 2.292 2.292 2.292 0.432 1 0 "[ ]" 1 
       187 2  7 DG H1' 2  7 DG H3' . . 3.020 3.850 3.850 3.850 0.830 1 1  [+]  1 
       188 2  7 DG H1' 2  7 DG H8  . . 2.610 3.880 3.880 3.880 1.270 1 1  [+]  1 
       189 2  7 DG H1' 2  8 DC H5  . . 3.500 4.597 4.597 4.597 1.097 1 1  [+]  1 
       190 2  7 DG Q2' 2  7 DG H3' . . 2.170 2.135 2.135 2.135     . 0 0 "[ ]" 1 
       191 2  7 DG Q2' 2  7 DG H8  . . 1.780 2.437 2.437 2.437 0.657 1 1  [+]  1 
       192 2  7 DG Q2' 2  8 DC H5  . . 2.660 2.921 2.921 2.921 0.261 1 0 "[ ]" 1 
       193 2  7 DG Q2' 2  8 DC H6  . . 2.210 2.220 2.220 2.220 0.010 1 0 "[ ]" 1 
       194 2  7 DG H3' 2  7 DG H8  . . 3.100 4.230 4.230 4.230 1.130 1 1  [+]  1 
       195 2  7 DG H3' 2  8 DC H5  . . 3.640 5.297 5.297 5.297 1.657 1 1  [+]  1 
       196 2  7 DG H3' 2  8 DC H6  . . 3.650 4.829 4.829 4.829 1.179 1 1  [+]  1 
       197 2  7 DG H8  2  8 DC H5  . . 3.250 3.675 3.675 3.675 0.425 1 0 "[ ]" 1 
       198 2  7 DG H8  2  8 DC H6  . . 3.230 4.972 4.972 4.972 1.742 1 1  [+]  1 
       199 2  8 DC H1' 2  8 DC Q2' . . 1.620 2.190 2.190 2.190 0.570 1 1  [+]  1 
       200 2  8 DC H1' 2  8 DC H3' . . 3.030 3.887 3.887 3.887 0.857 1 1  [+]  1 
       201 2  8 DC H1' 2  8 DC H6  . . 2.350 3.754 3.754 3.754 1.404 1 1  [+]  1 
       202 2  8 DC H1' 2  9 DT Q2' . . 2.490 5.368 5.368 5.368 2.878 1 1  [+]  1 
       203 2  8 DC H1' 2  9 DT H6  . . 2.230 4.242 4.242 4.242 2.012 1 1  [+]  1 
       204 2  8 DC H1' 2  9 DT M7  . . 2.890 4.420 4.420 4.420 1.530 1 1  [+]  1 
       205 2  8 DC Q2' 2  8 DC H3' . . 2.260 2.189 2.189 2.189     . 0 0 "[ ]" 1 
       206 2  8 DC Q2' 2  8 DC H5  . . 3.350 4.435 4.435 4.435 1.085 1 1  [+]  1 
       207 2  8 DC Q2' 2  8 DC H6  . . 2.190 2.563 2.563 2.563 0.373 1 0 "[ ]" 1 
       208 2  8 DC Q2' 2  9 DT H3' . . 3.190 4.192 4.192 4.192 1.002 1 1  [+]  1 
       209 2  8 DC Q2' 2  9 DT H6  . . 2.180 2.300 2.300 2.300 0.120 1 0 "[ ]" 1 
       210 2  8 DC Q2' 2  9 DT M7  . . 2.750 2.296 2.296 2.296     . 0 0 "[ ]" 1 
       211 2  8 DC H3' 2  8 DC H5  . . 3.790 5.867 5.867 5.867 2.077 1 1  [+]  1 
       212 2  8 DC H3' 2  8 DC H6  . . 3.130 3.495 3.495 3.495 0.365 1 0 "[ ]" 1 
       213 2  8 DC H3' 2  9 DT H6  . . 3.410 4.578 4.578 4.578 1.168 1 1  [+]  1 
       214 2  8 DC H3' 2  9 DT M7  . . 3.470 3.936 3.936 3.936 0.466 1 0 "[ ]" 1 
       215 2  8 DC H5  2  9 DT M7  . . 3.080 3.499 3.499 3.499 0.419 1 0 "[ ]" 1 
       216 2  8 DC H6  2  9 DT M7  . . 2.810 2.946 2.946 2.946 0.136 1 0 "[ ]" 1 
       217 2  9 DT H1' 2  9 DT Q2' . . 1.900 2.222 2.222 2.222 0.322 1 0 "[ ]" 1 
       218 2  9 DT H1' 2  9 DT H3' . . 2.170 3.892 3.892 3.892 1.722 1 1  [+]  1 
       219 2  9 DT H1' 2  9 DT H6  . . 2.030 3.711 3.711 3.711 1.681 1 1  [+]  1 
       220 2  9 DT H1' 2  9 DT M7  . . 2.680 5.143 5.143 5.143 2.463 1 1  [+]  1 
       221 2  9 DT H1' 2 10 DC H5  . . 3.250 5.202 5.202 5.202 1.952 1 1  [+]  1 
       222 2  9 DT H1' 2 10 DC H6  . . 2.580 4.190 4.190 4.190 1.610 1 1  [+]  1 
       223 2  9 DT Q2' 2  9 DT H3' . . 2.060 2.205 2.205 2.205 0.145 1 0 "[ ]" 1 
       224 2  9 DT Q2' 2  9 DT H6  . . 1.650 2.105 2.105 2.105 0.455 1 0 "[ ]" 1 
       225 2  9 DT Q2' 2  9 DT M7  . . 2.360 3.600 3.600 3.600 1.240 1 1  [+]  1 
       226 2  9 DT Q2' 2 10 DC H1' . . 1.970 4.380 4.380 4.380 2.410 1 1  [+]  1 
       227 2  9 DT Q2' 2 10 DC H3' . . 1.890 4.128 4.128 4.128 2.238 1 1  [+]  1 
       228 2  9 DT Q2' 2 10 DC H5  . . 2.600 2.914 2.914 2.914 0.314 1 0 "[ ]" 1 
       229 2  9 DT Q2' 2 10 DC H6  . . 1.770 2.123 2.123 2.123 0.353 1 0 "[ ]" 1 
       230 2  9 DT H3' 2  9 DT H6  . . 2.850 3.689 3.689 3.689 0.839 1 1  [+]  1 
       231 2  9 DT H3' 2  9 DT M7  . . 3.830 5.150 5.150 5.150 1.320 1 1  [+]  1 
       232 2  9 DT H3' 2 10 DC Q2' . . 2.450 5.424 5.424 5.424 2.974 1 1  [+]  1 
       233 2  9 DT H3' 2 10 DC H5  . . 3.600 5.097 5.097 5.097 1.497 1 1  [+]  1 
       234 2  9 DT H3' 2 10 DC H6  . . 3.840 4.265 4.265 4.265 0.425 1 0 "[ ]" 1 
       235 2  9 DT H6  2  9 DT M7  . . 2.370 2.180 2.180 2.180     . 0 0 "[ ]" 1 
       236 2  9 DT H6  2 10 DC H5  . . 2.850 3.167 3.167 3.167 0.317 1 0 "[ ]" 1 
       237 2  9 DT M7  2 10 DC Q2' . . 3.180 5.946 5.946 5.946 2.766 1 1  [+]  1 
       238 2  9 DT M7  2 10 DC H5  . . 3.210 2.800 2.800 2.800     . 0 0 "[ ]" 1 
       239 2 10 DC H1' 2 10 DC Q2' . . 2.010 2.251 2.251 2.251 0.241 1 0 "[ ]" 1 
       240 2 10 DC H1' 2 10 DC H3' . . 3.060 3.814 3.814 3.814 0.754 1 1  [+]  1 
       241 2 10 DC H1' 2 10 DC H5  . . 3.330 5.411 5.411 5.411 2.081 1 1  [+]  1 
       242 2 10 DC H1' 2 10 DC H6  . . 2.550 3.733 3.733 3.733 1.183 1 1  [+]  1 
       243 2 10 DC H1' 2 11 DT H3' . . 2.310 4.859 4.859 4.859 2.549 1 1  [+]  1 
       244 2 10 DC H1' 2 11 DT H6  . . 2.060 3.606 3.606 3.606 1.546 1 1  [+]  1 
       245 2 10 DC H1' 2 11 DT M7  . . 3.030 4.595 4.595 4.595 1.565 1 1  [+]  1 
       246 2 10 DC Q2' 2 10 DC H3' . . 2.050 2.242 2.242 2.242 0.192 1 0 "[ ]" 1 
       247 2 10 DC Q2' 2 10 DC H5  . . 2.560 4.119 4.119 4.119 1.559 1 1  [+]  1 
       248 2 10 DC Q2' 2 10 DC H6  . . 2.050 2.149 2.149 2.149 0.099 1 0 "[ ]" 1 
       249 2 10 DC Q2' 2 11 DT H1' . . 1.950 4.461 4.461 4.461 2.511 1 1  [+]  1 
       250 2 10 DC Q2' 2 11 DT H3' . . 1.850 3.390 3.390 3.390 1.540 1 1  [+]  1 
       251 2 10 DC Q2' 2 11 DT H6  . . 2.080 2.074 2.074 2.074     . 0 0 "[ ]" 1 
       252 2 10 DC Q2' 2 11 DT M7  . . 3.010 2.607 2.607 2.607     . 0 0 "[ ]" 1 
       253 2 10 DC H3' 2 10 DC H5  . . 3.700 6.371 6.371 6.371 2.671 1 1  [+]  1 
       254 2 10 DC H3' 2 10 DC H6  . . 3.040 4.023 4.023 4.023 0.983 1 1  [+]  1 
       255 2 10 DC H3' 2 11 DT H6  . . 2.550 4.705 4.705 4.705 2.155 1 1  [+]  1 
       256 2 10 DC H3' 2 11 DT M7  . . 3.430 4.533 4.533 4.533 1.103 1 1  [+]  1 
       257 2 10 DC H5  2 11 DT M7  . . 2.820 2.673 2.673 2.673     . 0 0 "[ ]" 1 
       258 2 10 DC H6  2 11 DT M7  . . 2.480 2.915 2.915 2.915 0.435 1 0 "[ ]" 1 
       259 2 11 DT H1' 2 11 DT Q2' . . 2.120 2.193 2.193 2.193 0.073 1 0 "[ ]" 1 
       260 2 11 DT H1' 2 11 DT H3' . . 2.190 3.837 3.837 3.837 1.647 1 1  [+]  1 
       261 2 11 DT H1' 2 11 DT H6  . . 1.880 3.719 3.719 3.719 1.839 1 1  [+]  1 
       262 2 11 DT H1' 2 11 DT M7  . . 2.460 5.214 5.214 5.214 2.754 1 1  [+]  1 
       263 2 11 DT H1' 2 12 DC H6  . . 2.670 4.408 4.408 4.408 1.738 1 1  [+]  1 
       264 2 11 DT Q2' 2 11 DT H3' . . 1.800 2.164 2.164 2.164 0.364 1 0 "[ ]" 1 
       265 2 11 DT Q2' 2 11 DT H6  . . 1.670 2.685 2.685 2.685 1.015 1 1  [+]  1 
       266 2 11 DT Q2' 2 11 DT M7  . . 2.550 3.993 3.993 3.993 1.443 1 1  [+]  1 
       267 2 11 DT Q2' 2 12 DC H1' . . 1.720 3.719 3.719 3.719 1.999 1 1  [+]  1 
       268 2 11 DT Q2' 2 12 DC H3' . . 2.020 3.788 3.788 3.788 1.768 1 1  [+]  1 
       269 2 11 DT Q2' 2 12 DC H5  . . 3.030 2.938 2.938 2.938     . 0 0 "[ ]" 1 
       270 2 11 DT Q2' 2 12 DC H6  . . 1.850 2.249 2.249 2.249 0.399 1 0 "[ ]" 1 
       271 2 11 DT H3' 2 11 DT M7  . . 2.980 4.656 4.656 4.656 1.676 1 1  [+]  1 
       272 2 11 DT H3' 2 12 DC H5  . . 3.400 4.890 4.890 4.890 1.490 1 1  [+]  1 
       273 2 11 DT H3' 2 12 DC H6  . . 2.930 4.332 4.332 4.332 1.402 1 1  [+]  1 
       274 2 11 DT H6  2 11 DT M7  . . 2.230 2.295 2.295 2.295 0.065 1 0 "[ ]" 1 
       275 2 11 DT H6  2 12 DC H6  . . 2.580 5.142 5.142 5.142 2.562 1 1  [+]  1 
       276 2 11 DT M7  2 12 DC H5  . . 3.450 4.059 4.059 4.059 0.609 1 1  [+]  1 
       277 2 12 DC H1' 2 12 DC H3' . . 3.470 3.819 3.819 3.819 0.349 1 0 "[ ]" 1 
       278 2 12 DC H1' 2 12 DC H5  . . 3.430 5.421 5.421 5.421 1.991 1 1  [+]  1 
       279 2 12 DC H1' 2 12 DC H6  . . 2.260 3.728 3.728 3.728 1.468 1 1  [+]  1 
       280 2 12 DC H3' 2 12 DC H5  . . 4.060 4.512 4.512 4.512 0.452 1 0 "[ ]" 1 
       281 2 12 DC H3' 2 12 DC H6  . . 2.420 2.408 2.408 2.408     . 0 0 "[ ]" 1 
    stop_

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