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
567915 2lzw 18781 cing 4-filtered-FRED Wattos check violation distance


data_2lzw


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              135
    _Distance_constraint_stats_list.Viol_count                    685
    _Distance_constraint_stats_list.Viol_total                    602.702
    _Distance_constraint_stats_list.Viol_max                      1.248
    _Distance_constraint_stats_list.Viol_rms                      0.0997
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0369
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0800
    _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  4.535 0.150 10  0 "[    .    1 ]" 
       1  2 DG  3.903 0.088  7  0 "[    .    1 ]" 
       1  3 DA  7.547 0.158  4  0 "[    .    1 ]" 
       1  4 DA  8.247 0.199  1  0 "[    .    1 ]" 
       1  5 DA 18.987 1.248  2 11  [*+-********]  
       1  6 DG 20.398 1.248  2 11  [*+-********]  
       1  7 DT  4.359 0.155  9  0 "[    .    1 ]" 
       1  8 DT  1.908 0.077  6  0 "[    .    1 ]" 
       1  9 DT  4.653 0.145 11  0 "[    .    1 ]" 
       1 10 DC  4.505 0.145 11  0 "[    .    1 ]" 
       1 11 DG  3.168 0.126  1  0 "[    .    1 ]" 
       2  6 DG  0.167 0.167  2  0 "[    .    1 ]" 
       2  8 DT  0.000 0.000  .  0 "[    .    1 ]" 
       2  9 DT  0.106 0.032  8  0 "[    .    1 ]" 
       2 10 DC  1.062 0.102  2  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 H1'  1  1 DC H2'  3.000 2.700   3.300 3.035 3.026 3.042     .  0  0 "[    .    1 ]" 1 
         2 1  1 DC H1'  1  1 DC H2'' 2.500 2.300   2.700 2.351 2.335 2.368     .  0  0 "[    .    1 ]" 1 
         3 1  1 DC H1'  1  1 DC H4'  3.000 2.700   3.500 3.543 3.504 3.570 0.070  4  0 "[    .    1 ]" 1 
         4 1  1 DC H1'  1  1 DC H6   3.400 3.100   3.900 3.713 3.711 3.717     .  0  0 "[    .    1 ]" 1 
         5 1  1 DC H1'  1  2 DG H8   4.000 3.500   4.700 4.608 4.535 4.679     .  0  0 "[    .    1 ]" 1 
         6 1  1 DC H2'  1  1 DC H6   2.500 2.300   2.800 2.255 2.236 2.272 0.064  6  0 "[    .    1 ]" 1 
         7 1  1 DC H2'  1  2 DG H8   3.000 2.700   3.500 2.970 2.938 2.996     .  0  0 "[    .    1 ]" 1 
         8 1  1 DC H2'' 1  1 DC H6   3.100 2.800   3.600 3.737 3.725 3.750 0.150 10  0 "[    .    1 ]" 1 
         9 1  1 DC H2'' 1  2 DG H8   3.000 2.700   3.500 2.648 2.612 2.702 0.088  7  0 "[    .    1 ]" 1 
        10 1  1 DC H3'  1  1 DC H6   3.500 3.000   4.200 3.923 3.836 3.987     .  0  0 "[    .    1 ]" 1 
        11 1  1 DC H3'  1  2 DG H8   3.800 3.300   4.500 4.532 4.507 4.550 0.050  6  0 "[    .    1 ]" 1 
        12 1  1 DC Q4   2 10 DC Q4   4.500 4.000 103.500 3.912 3.898 3.926 0.102  2  0 "[    .    1 ]" 1 
        13 1  1 DC H6   1  2 DG H8   4.000 3.500   4.700 4.712 4.675 4.740 0.040  3  0 "[    .    1 ]" 1 
        14 1  2 DG H1'  1  2 DG H2'  2.800 2.500   3.100 3.040 3.036 3.043     .  0  0 "[    .    1 ]" 1 
        15 1  2 DG H1'  1  2 DG H2'' 2.300 2.100   2.500 2.345 2.337 2.357     .  0  0 "[    .    1 ]" 1 
        16 1  2 DG H1'  1  2 DG H4'  3.100 2.800   3.600 3.048 3.010 3.079     .  0  0 "[    .    1 ]" 1 
        17 1  2 DG H1'  1  2 DG H8   3.500 3.200   4.000 3.864 3.862 3.867     .  0  0 "[    .    1 ]" 1 
        18 1  2 DG H1'  1  3 DA H8   3.400 2.900   4.100 4.074 3.986 4.129 0.029  8  0 "[    .    1 ]" 1 
        19 1  2 DG H2'  1  2 DG H8   2.400 2.200   2.700 2.191 2.176 2.207 0.024  8  0 "[    .    1 ]" 1 
        20 1  2 DG H2'  1  3 DA H8   2.800 2.500   3.300 3.326 3.272 3.355 0.055  6  0 "[    .    1 ]" 1 
        21 1  2 DG H2'' 1  2 DG H8   3.100 2.800   3.600 3.655 3.643 3.672 0.072  3  0 "[    .    1 ]" 1 
        22 1  2 DG H2'' 1  3 DA H8   2.700 2.400   3.200 2.328 2.316 2.338 0.084  3  0 "[    .    1 ]" 1 
        23 1  2 DG H3'  1  2 DG H8   3.300 2.800   4.000 4.054 4.031 4.072 0.072  9  0 "[    .    1 ]" 1 
        24 1  2 DG H3'  1  3 DA H8   4.100 3.600   4.800 4.819 4.779 4.855 0.055  3  0 "[    .    1 ]" 1 
        25 1  2 DG H8   1  3 DA H8   4.100 3.600   4.800 4.752 4.626 4.817 0.017  6  0 "[    .    1 ]" 1 
        26 1  3 DA H1'  1  3 DA H2   3.700 3.200   4.400 4.474 4.472 4.478 0.078  1  0 "[    .    1 ]" 1 
        27 1  3 DA H1'  1  3 DA H2'  2.700 2.400   3.000 3.038 3.035 3.042 0.042  7  0 "[    .    1 ]" 1 
        28 1  3 DA H1'  1  3 DA H2'' 2.400 2.200   2.600 2.344 2.336 2.356     .  0  0 "[    .    1 ]" 1 
        29 1  3 DA H1'  1  3 DA H4'  3.100 2.800   3.600 3.027 3.007 3.048     .  0  0 "[    .    1 ]" 1 
        30 1  3 DA H1'  1  3 DA H8   3.400 3.100   3.900 3.869 3.865 3.873     .  0  0 "[    .    1 ]" 1 
        31 1  3 DA H1'  1  4 DA H8   3.500 3.000   4.200 4.127 4.037 4.215 0.015 10  0 "[    .    1 ]" 1 
        32 1  3 DA H2   2  9 DT H1'  4.400 3.900   5.100 4.692 4.426 4.821     .  0  0 "[    .    1 ]" 1 
        33 1  3 DA H2   2 10 DC H1'  4.200 3.700   4.900 4.548 4.119 4.938 0.038  6  0 "[    .    1 ]" 1 
        34 1  3 DA H2'  1  3 DA H8   2.500 2.300   2.800 2.286 2.267 2.301 0.033 10  0 "[    .    1 ]" 1 
        35 1  3 DA H2'  1  4 DA H8   2.900 2.600   3.400 3.106 2.956 3.185     .  0  0 "[    .    1 ]" 1 
        36 1  3 DA H2'' 1  3 DA H8   3.100 2.800   3.600 3.746 3.730 3.758 0.158  4  0 "[    .    1 ]" 1 
        37 1  3 DA H2'' 1  4 DA H8   2.800 2.500   3.300 2.401 2.376 2.421 0.124  4  0 "[    .    1 ]" 1 
        38 1  3 DA H3'  1  3 DA H8   3.300 2.800   4.000 4.070 4.049 4.107 0.107  7  0 "[    .    1 ]" 1 
        39 1  3 DA H3'  1  4 DA H8   4.000 3.500   4.700 4.797 4.768 4.822 0.122  3  0 "[    .    1 ]" 1 
        40 1  3 DA H8   1  4 DA H8   4.000 3.500   4.700 4.525 4.228 4.646     .  0  0 "[    .    1 ]" 1 
        41 1  4 DA H1'  1  4 DA H2   4.000 3.500   4.700 4.532 4.527 4.537     .  0  0 "[    .    1 ]" 1 
        42 1  4 DA H1'  1  4 DA H2'  2.700 2.400   3.000 3.029 3.027 3.032 0.032  1  0 "[    .    1 ]" 1 
        43 1  4 DA H1'  1  4 DA H2'' 2.300 2.100   2.500 2.331 2.328 2.339     .  0  0 "[    .    1 ]" 1 
        44 1  4 DA H1'  1  4 DA H4'  2.900 2.600   3.400 3.183 3.129 3.250     .  0  0 "[    .    1 ]" 1 
        45 1  4 DA H1'  1  4 DA H8   3.400 3.100   3.900 3.850 3.848 3.852     .  0  0 "[    .    1 ]" 1 
        46 1  4 DA H1'  1  5 DA H8   3.500 3.000   4.200 4.159 4.076 4.210 0.010  5  0 "[    .    1 ]" 1 
        47 1  4 DA H2   1  5 DA H2   3.900 3.400   4.600 4.490 4.276 4.599     .  0  0 "[    .    1 ]" 1 
        48 1  4 DA H2   2  9 DT H1'  4.000 3.500   4.700 4.376 4.050 4.732 0.032  8  0 "[    .    1 ]" 1 
        49 1  4 DA H2'  1  4 DA H8   2.500 2.300   2.800 2.180 2.164 2.192 0.136  4  0 "[    .    1 ]" 1 
        50 1  4 DA H2'  1  5 DA H8   3.000 2.700   3.500 3.414 3.327 3.485     .  0  0 "[    .    1 ]" 1 
        51 1  4 DA H2'' 1  4 DA H8   3.000 2.700   3.500 3.669 3.656 3.679 0.179 10  0 "[    .    1 ]" 1 
        52 1  4 DA H2'' 1  5 DA H8   2.800 2.500   3.300 2.463 2.413 2.491 0.087  2  0 "[    .    1 ]" 1 
        53 1  4 DA H3'  1  4 DA H8   3.100 2.600   3.800 3.965 3.951 3.999 0.199  1  0 "[    .    1 ]" 1 
        54 1  4 DA H3'  1  5 DA H8   4.200 3.700   4.900 4.920 4.897 4.953 0.053  3  0 "[    .    1 ]" 1 
        55 1  5 DA H1'  1  5 DA H2'  2.800 2.500   3.100 3.042 3.036 3.044     .  0  0 "[    .    1 ]" 1 
        56 1  5 DA H1'  1  5 DA H2'' 2.500 2.300   2.700 2.363 2.349 2.368     .  0  0 "[    .    1 ]" 1 
        57 1  5 DA H1'  1  5 DA H4'  3.000 2.700   3.500 3.414 3.384 3.479     .  0  0 "[    .    1 ]" 1 
        58 1  5 DA H1'  1  5 DA H8   3.500 3.200   4.000 3.857 3.850 3.863     .  0  0 "[    .    1 ]" 1 
        59 1  5 DA H1'  1  6 DG H8   4.100 3.600   4.800 4.486 4.404 4.603     .  0  0 "[    .    1 ]" 1 
        60 1  5 DA H2   1  6 DG H1'  4.100 3.600   4.800 4.862 4.843 4.881 0.081  2  0 "[    .    1 ]" 1 
        61 1  5 DA H2   2  8 DT H1'  3.900 3.400   4.600 4.263 4.081 4.452     .  0  0 "[    .    1 ]" 1 
        62 1  5 DA H2'  1  5 DA H8   2.500 2.300   2.800 2.132 2.116 2.153 0.184  5  0 "[    .    1 ]" 1 
        63 1  5 DA H2'  1  6 DG H8   4.000 3.700   4.500 4.198 4.134 4.259     .  0  0 "[    .    1 ]" 1 
        64 1  5 DA H2'' 1  5 DA H8   3.100 2.800   3.600 3.529 3.497 3.562     .  0  0 "[    .    1 ]" 1 
        65 1  5 DA H2'' 1  6 DG H8   3.300 3.000   3.800 2.890 2.873 2.928 0.127  6  0 "[    .    1 ]" 1 
        66 1  5 DA H3'  1  5 DA H8   3.500 3.000   4.200 4.254 4.209 4.268 0.068  1  0 "[    .    1 ]" 1 
        67 1  5 DA Q6   1  6 DG Q2   4.000 3.500 103.000 3.520 3.437 4.159 0.063  3  0 "[    .    1 ]" 1 
        68 1  5 DA Q6   2  6 DG Q2   4.000 3.500 103.000 4.536 3.333 4.796 0.167  2  0 "[    .    1 ]" 1 
        69 1  5 DA H8   1  6 DG Q2   4.500 3.800   5.500 6.568 6.480 6.748 1.248  2 11  [*+-********]  1 
        70 1  5 DA H8   1  6 DG H8   4.300 3.600   5.300 5.451 5.437 5.469 0.169  2  0 "[    .    1 ]" 1 
        71 1  6 DG H1'  1  6 DG H2'  2.700 2.400   3.000 3.032 3.030 3.035 0.035  9  0 "[    .    1 ]" 1 
        72 1  6 DG H1'  1  6 DG H2'' 2.500 2.300   2.700 2.334 2.329 2.342     .  0  0 "[    .    1 ]" 1 
        73 1  6 DG H1'  1  6 DG H4'  3.100 2.800   3.600 3.086 3.059 3.160     .  0  0 "[    .    1 ]" 1 
        74 1  6 DG H1'  1  6 DG H8   3.300 3.000   3.800 3.856 3.846 3.859 0.059  8  0 "[    .    1 ]" 1 
        75 1  6 DG H1'  1  7 DT H1'  4.500 3.800   5.500 5.627 5.545 5.655 0.155  9  0 "[    .    1 ]" 1 
        76 1  6 DG H1'  1  7 DT H6   3.200 2.700   3.900 3.580 3.431 3.684     .  0  0 "[    .    1 ]" 1 
        77 1  6 DG H2'  1  6 DG H8   2.400 2.200   2.700 2.195 2.163 2.276 0.037  9  0 "[    .    1 ]" 1 
        78 1  6 DG H2'  1  7 DT H6   3.400 3.100   3.900 3.928 3.900 3.962 0.062  2  0 "[    .    1 ]" 1 
        79 1  6 DG H2'' 1  6 DG H8   2.900 2.400   3.600 3.683 3.641 3.767 0.167  2  0 "[    .    1 ]" 1 
        80 1  6 DG H2'' 1  7 DT H6   3.000 2.700   3.500 2.726 2.628 2.800 0.072  2  0 "[    .    1 ]" 1 
        81 1  6 DG H3'  1  6 DG H8   3.200 2.700   3.900 3.965 3.911 4.025 0.125  9  0 "[    .    1 ]" 1 
        82 1  6 DG H8   1  7 DT H6   4.300 3.600   5.300 5.142 5.005 5.432 0.132  2  0 "[    .    1 ]" 1 
        83 1  7 DT H1'  1  7 DT H2'  2.800 2.500   3.100 3.058 3.056 3.060     .  0  0 "[    .    1 ]" 1 
        84 1  7 DT H1'  1  7 DT H2'' 2.500 2.300   2.700 2.416 2.406 2.420     .  0  0 "[    .    1 ]" 1 
        85 1  7 DT H1'  1  7 DT H4'  2.900 2.600   3.400 3.121 2.976 3.177     .  0  0 "[    .    1 ]" 1 
        86 1  7 DT H1'  1  7 DT H6   3.500 3.200   4.000 3.706 3.698 3.727     .  0  0 "[    .    1 ]" 1 
        87 1  7 DT H1'  1  8 DT H6   3.400 2.900   4.100 3.956 3.874 4.037     .  0  0 "[    .    1 ]" 1 
        88 1  7 DT H2'  1  7 DT H6   2.500 2.300   2.800 2.300 2.282 2.312 0.018  9  0 "[    .    1 ]" 1 
        89 1  7 DT H2'  1  8 DT H6   2.900 2.600   3.400 3.427 3.377 3.457 0.057  2  0 "[    .    1 ]" 1 
        90 1  7 DT H2'' 1  7 DT H6   3.100 2.800   3.600 3.713 3.694 3.727 0.127  1  0 "[    .    1 ]" 1 
        91 1  7 DT H2'' 1  8 DT H6   2.700 2.400   3.200 2.333 2.323 2.347 0.077  6  0 "[    .    1 ]" 1 
        92 1  7 DT H3'  1  7 DT H6   3.500 3.000   4.200 4.149 4.111 4.175     .  0  0 "[    .    1 ]" 1 
        93 1  7 DT H3'  1  8 DT H6   4.200 3.700   4.900 4.900 4.874 4.933 0.033 11  0 "[    .    1 ]" 1 
        94 1  8 DT H1'  1  8 DT H2'  2.800 2.500   3.100 3.053 3.051 3.055     .  0  0 "[    .    1 ]" 1 
        95 1  8 DT H1'  1  8 DT H2'' 2.400 2.200   2.600 2.386 2.381 2.388     .  0  0 "[    .    1 ]" 1 
        96 1  8 DT H1'  1  8 DT H4'  3.000 2.700   3.500 3.077 3.030 3.109     .  0  0 "[    .    1 ]" 1 
        97 1  8 DT H1'  1  8 DT H6   3.400 3.100   3.900 3.710 3.708 3.712     .  0  0 "[    .    1 ]" 1 
        98 1  8 DT H1'  1  9 DT H6   3.500 3.000   4.200 3.959 3.870 4.066     .  0  0 "[    .    1 ]" 1 
        99 1  8 DT H2'  1  8 DT H6   2.200     .   2.500 2.037 2.002 2.054     .  0  0 "[    .    1 ]" 1 
       100 1  8 DT H2'  1  9 DT H6   3.000 2.700   3.500 3.528 3.518 3.541 0.041  2  0 "[    .    1 ]" 1 
       101 1  8 DT H2'' 1  8 DT H6   3.000 2.700   3.500 3.505 3.471 3.524 0.024  5  0 "[    .    1 ]" 1 
       102 1  8 DT H2'' 1  9 DT H6   2.600 2.300   3.100 2.508 2.475 2.562     .  0  0 "[    .    1 ]" 1 
       103 1  8 DT H3'  1  8 DT H6   3.200 2.700   3.900 3.932 3.909 3.958 0.058  9  0 "[    .    1 ]" 1 
       104 1  9 DT H1'  1  9 DT H2'  2.800 2.500   3.100 3.040 3.036 3.043     .  0  0 "[    .    1 ]" 1 
       105 1  9 DT H1'  1  9 DT H2'' 2.500 2.300   2.700 2.339 2.326 2.349     .  0  0 "[    .    1 ]" 1 
       106 1  9 DT H1'  1  9 DT H4'  2.800 2.500   3.300 3.007 2.983 3.033     .  0  0 "[    .    1 ]" 1 
       107 1  9 DT H1'  1  9 DT H6   3.300 3.000   3.800 3.700 3.697 3.703     .  0  0 "[    .    1 ]" 1 
       108 1  9 DT H1'  1 10 DC H6   3.800 3.300   4.500 4.482 4.403 4.532 0.032  9  0 "[    .    1 ]" 1 
       109 1  9 DT H2'  1  9 DT H6   2.300 2.100   2.600 2.029 2.013 2.043 0.087  4  0 "[    .    1 ]" 1 
       110 1  9 DT H2'  1 10 DC H5   3.700 3.200   4.400 3.257 3.163 3.357 0.037  4  0 "[    .    1 ]" 1 
       111 1  9 DT H2'  1 10 DC H6   3.100 2.800   3.600 3.569 3.455 3.634 0.034  9  0 "[    .    1 ]" 1 
       112 1  9 DT H2'' 1  9 DT H6   2.900 2.600   3.400 3.521 3.498 3.535 0.135  1  0 "[    .    1 ]" 1 
       113 1  9 DT H2'' 1 10 DC H5   3.700 3.200   4.400 3.497 3.314 3.702     .  0  0 "[    .    1 ]" 1 
       114 1  9 DT H2'' 1 10 DC H6   3.000 2.700   3.500 2.590 2.555 2.614 0.145 11  0 "[    .    1 ]" 1 
       115 1  9 DT H3'  1  9 DT H6   3.000 2.500   3.700 3.751 3.721 3.780 0.080  4  0 "[    .    1 ]" 1 
       116 1  9 DT H3'  1 10 DC H6   4.200 3.700   4.900 4.916 4.879 4.945 0.045  2  0 "[    .    1 ]" 1 
       117 1 10 DC H1'  1 10 DC H2'  2.800 2.500   3.100 3.048 3.041 3.052     .  0  0 "[    .    1 ]" 1 
       118 1 10 DC H1'  1 10 DC H2'' 2.300 2.100   2.500 2.365 2.345 2.379     .  0  0 "[    .    1 ]" 1 
       119 1 10 DC H1'  1 10 DC H4'  2.900 2.600   3.400 3.016 2.924 3.091     .  0  0 "[    .    1 ]" 1 
       120 1 10 DC H1'  1 10 DC H6   3.500 3.200   4.000 3.740 3.735 3.745     .  0  0 "[    .    1 ]" 1 
       121 1 10 DC H1'  1 11 DG H8   3.700 3.200   4.400 4.429 4.408 4.454 0.054  6  0 "[    .    1 ]" 1 
       122 1 10 DC H2'  1 10 DC H6   2.500 2.300   2.800 2.180 2.163 2.202 0.137  3  0 "[    .    1 ]" 1 
       123 1 10 DC H2'  1 11 DG H8   3.200 2.900   3.700 3.146 2.934 3.292     .  0  0 "[    .    1 ]" 1 
       124 1 10 DC H2'' 1 10 DC H6   3.100 2.800   3.600 3.629 3.604 3.654 0.054  1  0 "[    .    1 ]" 1 
       125 1 10 DC H2'' 1 11 DG H8   3.000 2.700   3.500 2.640 2.603 2.659 0.097  6  0 "[    .    1 ]" 1 
       126 1 10 DC H3'  1 10 DC H6   3.500 3.000   4.200 3.990 3.892 4.091     .  0  0 "[    .    1 ]" 1 
       127 1 10 DC H3'  1 11 DG H8   4.200 3.700   4.900 4.903 4.817 4.959 0.059  1  0 "[    .    1 ]" 1 
       128 1 10 DC H6   1 11 DG H8   4.000 3.500   4.700 4.425 4.138 4.664     .  0  0 "[    .    1 ]" 1 
       129 1 11 DG H1'  1 11 DG H2'  2.700 2.400   3.000 3.041 3.039 3.042 0.042  9  0 "[    .    1 ]" 1 
       130 1 11 DG H1'  1 11 DG H2'' 2.400 2.200   2.600 2.361 2.358 2.366     .  0  0 "[    .    1 ]" 1 
       131 1 11 DG H1'  1 11 DG H4'  2.900 2.600   3.400 3.055 2.987 3.177     .  0  0 "[    .    1 ]" 1 
       132 1 11 DG H1'  1 11 DG H8   3.500 3.200   4.000 3.860 3.858 3.861     .  0  0 "[    .    1 ]" 1 
       133 1 11 DG H2'  1 11 DG H8   2.400 2.200   2.700 2.171 2.162 2.180 0.038 10  0 "[    .    1 ]" 1 
       134 1 11 DG H2'' 1 11 DG H8   3.100 2.800   3.600 3.624 3.611 3.635 0.035  8  0 "[    .    1 ]" 1 
       135 1 11 DG H3'  1 11 DG H8   3.300 2.800   4.000 4.086 4.065 4.126 0.126  1  0 "[    .    1 ]" 1 
    stop_

save_



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