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
370766 1bzt cing 4-filtered-FRED Wattos check violation distance


data_1bzt


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              292
    _Distance_constraint_stats_list.Viol_count                    89
    _Distance_constraint_stats_list.Viol_total                    4.639
    _Distance_constraint_stats_list.Viol_max                      0.427
    _Distance_constraint_stats_list.Viol_rms                      0.0457
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0159
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0521
    _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 U   0.076 0.066 1 0 "[ ]" 
       1  2 C   0.057 0.027 1 0 "[ ]" 
       1  3 A   0.108 0.035 1 0 "[ ]" 
       1  4 G   0.101 0.035 1 0 "[ ]" 
       1  5 A   0.306 0.101 1 0 "[ ]" 
       1  6 C   0.354 0.067 1 0 "[ ]" 
       1  7 U   0.542 0.118 1 0 "[ ]" 
       1  8 U   0.299 0.080 1 0 "[ ]" 
       1  9 U   0.163 0.041 1 0 "[ ]" 
       1 10 U   1.404 0.427 1 0 "[ ]" 
       1 11 A   2.311 0.427 1 0 "[ ]" 
       1 12 A   0.621 0.181 1 0 "[ ]" 
       1 13 PSU 0.294 0.146 1 0 "[ ]" 
       1 14 C   0.283 0.061 1 0 "[ ]" 
       1 15 U   0.168 0.074 1 0 "[ ]" 
       1 16 G   0.174 0.057 1 0 "[ ]" 
       1 17 A   0.177 0.057 1 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 U   H1'  1  1 U   H4'  . 3.600  4.000  3.534  3.534  3.534 0.066 1 0 "[ ]" 1 
         2 1  1 U   H1'  1  1 U   H6   . 3.300  3.700  3.546  3.546  3.546     . 0 0 "[ ]" 1 
         3 1  1 U   H1'  1  2 C   H6   . 4.500 19.000  4.915  4.915  4.915     . 0 0 "[ ]" 1 
         4 1  1 U   H3   1 17 A   N1   .     .  2.000  1.953  1.953  1.953     . 0 0 "[ ]" 1 
         5 1  1 U   H3'  1  2 C   H6   . 2.700  3.700  3.420  3.420  3.420     . 0 0 "[ ]" 1 
         6 1  1 U   H5'  1  1 U   H6   . 3.400 19.000  3.567  3.567  3.567     . 0 0 "[ ]" 1 
         7 1  1 U   H5'' 1  1 U   H6   . 3.400 19.000  4.282  4.282  4.282     . 0 0 "[ ]" 1 
         8 1  1 U   O2   1 17 A   H2   . 2.600  3.000  3.007  3.007  3.007 0.007 1 0 "[ ]" 1 
         9 1  1 U   O4   1 17 A   H61  .     .  2.000  2.003  2.003  2.003 0.003 1 0 "[ ]" 1 
        10 1  2 C   H1'  1  2 C   H2'  . 2.600  3.000  2.778  2.778  2.778     . 0 0 "[ ]" 1 
        11 1  2 C   H1'  1  2 C   H4'  . 3.000  3.400  3.210  3.210  3.210     . 0 0 "[ ]" 1 
        12 1  2 C   H1'  1  2 C   H6   . 3.200  3.600  3.627  3.627  3.627 0.027 1 0 "[ ]" 1 
        13 1  2 C   H1'  1  3 A   H8   . 4.500 19.000  4.929  4.929  4.929     . 0 0 "[ ]" 1 
        14 1  2 C   H1'  1 17 A   H2   . 2.900  3.300  3.313  3.313  3.313 0.013 1 0 "[ ]" 1 
        15 1  2 C   H2'  1  3 A   H1'  . 4.000  5.000  4.294  4.294  4.294     . 0 0 "[ ]" 1 
        16 1  2 C   H2'  1  3 A   H8   . 2.500  2.900  2.499  2.499  2.499 0.001 1 0 "[ ]" 1 
        17 1  2 C   H3'  1  2 C   H6   . 2.600  3.000  2.648  2.648  2.648     . 0 0 "[ ]" 1 
        18 1  2 C   H3'  1  3 A   H8   . 3.200  3.600  3.616  3.616  3.616 0.016 1 0 "[ ]" 1 
        19 1  2 C   H41  1 16 G   O6   .     .  2.000  1.841  1.841  1.841     . 0 0 "[ ]" 1 
        20 1  2 C   H5'  1  2 C   H6   . 3.500 19.000  3.917  3.917  3.917     . 0 0 "[ ]" 1 
        21 1  2 C   H5'' 1  2 C   H6   . 3.500 19.000  4.277  4.277  4.277     . 0 0 "[ ]" 1 
        22 1  2 C   N3   1 16 G   H1   .     .  2.000  1.923  1.923  1.923     . 0 0 "[ ]" 1 
        23 1  2 C   O2   1 16 G   H21  .     .  2.000  1.958  1.958  1.958     . 0 0 "[ ]" 1 
        24 1  3 A   H1'  1  3 A   H2'  . 2.300  2.700  2.724  2.724  2.724 0.024 1 0 "[ ]" 1 
        25 1  3 A   H1'  1  3 A   H4'  . 2.900  3.300  3.152  3.152  3.152     . 0 0 "[ ]" 1 
        26 1  3 A   H1'  1  3 A   H8   . 3.300  3.700  3.735  3.735  3.735 0.035 1 0 "[ ]" 1 
        27 1  3 A   H1'  1  4 G   H8   . 4.500 19.000  5.055  5.055  5.055     . 0 0 "[ ]" 1 
        28 1  3 A   H2   1  4 G   H1'  . 2.800  3.200  3.211  3.211  3.211 0.011 1 0 "[ ]" 1 
        29 1  3 A   H2   1 15 U   O2   . 2.600  3.000  2.808  2.808  2.808     . 0 0 "[ ]" 1 
        30 1  3 A   H2   1 16 G   H1'  . 2.800  3.200  3.209  3.209  3.209 0.009 1 0 "[ ]" 1 
        31 1  3 A   H2'  1  4 G   H1'  . 4.000  5.000  4.158  4.158  4.158     . 0 0 "[ ]" 1 
        32 1  3 A   H2'  1  4 G   H8   . 2.200  2.600  2.501  2.501  2.501     . 0 0 "[ ]" 1 
        33 1  3 A   H3'  1  3 A   H8   . 2.700  3.100  2.915  2.915  2.915     . 0 0 "[ ]" 1 
        34 1  3 A   H3'  1  4 G   H8   . 3.200  3.600  3.607  3.607  3.607 0.007 1 0 "[ ]" 1 
        35 1  3 A   H5'  1  3 A   H8   . 3.300 19.000  4.202  4.202  4.202     . 0 0 "[ ]" 1 
        36 1  3 A   H5'' 1  3 A   H8   . 3.300 19.000  4.551  4.551  4.551     . 0 0 "[ ]" 1 
        37 1  3 A   H61  1 15 U   O4   .     .  2.000  1.993  1.993  1.993     . 0 0 "[ ]" 1 
        38 1  3 A   N1   1 15 U   H3   .     .  2.000  2.006  2.006  2.006 0.006 1 0 "[ ]" 1 
        39 1  4 G   H1   1 14 C   N3   .     .  2.000  2.003  2.003  2.003 0.003 1 0 "[ ]" 1 
        40 1  4 G   H1'  1  4 G   H2'  . 2.800  3.200  2.784  2.784  2.784 0.016 1 0 "[ ]" 1 
        41 1  4 G   H1'  1  4 G   H8   . 3.300  3.700  3.735  3.735  3.735 0.035 1 0 "[ ]" 1 
        42 1  4 G   H1'  1  5 A   H8   . 4.500 19.000  5.158  5.158  5.158     . 0 0 "[ ]" 1 
        43 1  4 G   H2'  1  5 A   H1'  . 4.000  5.000  4.422  4.422  4.422     . 0 0 "[ ]" 1 
        44 1  4 G   H2'  1  5 A   H8   . 2.200  2.700  2.496  2.496  2.496     . 0 0 "[ ]" 1 
        45 1  4 G   H21  1 14 C   O2   .     .  2.000  2.005  2.005  2.005 0.005 1 0 "[ ]" 1 
        46 1  4 G   H3'  1  5 A   H8   . 2.700  3.700  3.725  3.725  3.725 0.025 1 0 "[ ]" 1 
        47 1  4 G   H5'  1  4 G   H8   . 3.500 19.000  4.105  4.105  4.105     . 0 0 "[ ]" 1 
        48 1  4 G   H5'' 1  4 G   H8   . 3.500 19.000  4.324  4.324  4.324     . 0 0 "[ ]" 1 
        49 1  4 G   O6   1 14 C   H41  .     .  2.000  1.928  1.928  1.928     . 0 0 "[ ]" 1 
        50 1  5 A   H1'  1  5 A   H2'  . 2.600  3.000  2.723  2.723  2.723     . 0 0 "[ ]" 1 
        51 1  5 A   H1'  1  5 A   H4'  . 3.600  4.000  3.499  3.499  3.499 0.101 1 0 "[ ]" 1 
        52 1  5 A   H1'  1  5 A   H8   . 3.200  3.600  3.675  3.675  3.675 0.075 1 0 "[ ]" 1 
        53 1  5 A   H1'  1  6 C   H6   . 4.500 19.000  4.993  4.993  4.993     . 0 0 "[ ]" 1 
        54 1  5 A   H2   1  6 C   H1'  . 2.500  2.900  2.936  2.936  2.936 0.036 1 0 "[ ]" 1 
        55 1  5 A   H2   1 14 C   H1'  . 2.700  3.100  3.113  3.113  3.113 0.013 1 0 "[ ]" 1 
        56 1  5 A   H2'  1  5 A   H8   . 3.400  3.800  3.828  3.828  3.828 0.028 1 0 "[ ]" 1 
        57 1  5 A   H2'  1  6 C   H1'  . 4.000  5.000  4.124  4.124  4.124     . 0 0 "[ ]" 1 
        58 1  5 A   H2'  1  6 C   H6   . 2.200  2.600  2.487  2.487  2.487     . 0 0 "[ ]" 1 
        59 1  5 A   H3'  1  5 A   H8   . 2.900  3.300  2.900  2.900  2.900 0.000 1 0 "[ ]" 1 
        60 1  5 A   H8   1  6 C   H5   . 3.300  3.700  3.728  3.728  3.728 0.028 1 0 "[ ]" 1 
        61 1  6 C   H1'  1  6 C   H6   . 3.800  4.200  3.748  3.748  3.748 0.052 1 0 "[ ]" 1 
        62 1  6 C   H1'  1  7 U   H6   . 4.500 19.000  5.501  5.501  5.501     . 0 0 "[ ]" 1 
        63 1  6 C   H1'  1 12 A   H2   . 4.500 19.000  4.978  4.978  4.978     . 0 0 "[ ]" 1 
        64 1  6 C   H2'  1  6 C   H6   . 2.900  3.300  3.362  3.362  3.362 0.062 1 0 "[ ]" 1 
        65 1  6 C   H2'  1  7 U   H1'  . 3.500  4.500  4.480  4.480  4.480     . 0 0 "[ ]" 1 
        66 1  6 C   H2'  1  7 U   H6   . 2.800  3.200  2.766  2.766  2.766 0.034 1 0 "[ ]" 1 
        67 1  6 C   H2'  1 12 A   H2   . 4.500 19.000  4.947  4.947  4.947     . 0 0 "[ ]" 1 
        68 1  6 C   H3'  1  7 U   H5   . 3.100  3.900  3.934  3.934  3.934 0.034 1 0 "[ ]" 1 
        69 1  6 C   H3'  1  7 U   H6   . 2.900  3.700  3.767  3.767  3.767 0.067 1 0 "[ ]" 1 
        70 1  6 C   H5   1  7 U   H2'  . 4.500 19.000  8.530  8.530  8.530     . 0 0 "[ ]" 1 
        71 1  6 C   H5   1  7 U   H3'  . 4.500 19.000  9.063  9.063  9.063     . 0 0 "[ ]" 1 
        72 1  6 C   H5   1  7 U   H5   . 4.500 19.000  4.494  4.494  4.494 0.006 1 0 "[ ]" 1 
        73 1  6 C   H6   1  7 U   H2'  . 4.500 19.000  7.878  7.878  7.878     . 0 0 "[ ]" 1 
        74 1  6 C   H6   1  7 U   H3'  . 4.500 19.000  7.888  7.888  7.888     . 0 0 "[ ]" 1 
        75 1  6 C   H6   1  7 U   H5   . 4.500 19.000  4.465  4.465  4.465 0.035 1 0 "[ ]" 1 
        76 1  6 C   N3   1 12 A   H61  .     .  2.000  1.996  1.996  1.996     . 0 0 "[ ]" 1 
        77 1  6 C   O2   1 12 A   H1   .     .  2.000  1.805  1.805  1.805     . 0 0 "[ ]" 1 
        78 1  7 U   H1'  1  7 U   H4'  . 3.200  3.600  3.145  3.145  3.145 0.055 1 0 "[ ]" 1 
        79 1  7 U   H1'  1  7 U   H6   . 3.100  3.500  3.618  3.618  3.618 0.118 1 0 "[ ]" 1 
        80 1  7 U   H1'  1  8 U   H1'  . 4.500 19.000  6.976  6.976  6.976     . 0 0 "[ ]" 1 
        81 1  7 U   H1'  1  8 U   H2'  . 4.100  4.400  4.443  4.443  4.443 0.043 1 0 "[ ]" 1 
        82 1  7 U   H1'  1  8 U   H3'  . 4.500 19.000  4.643  4.643  4.643     . 0 0 "[ ]" 1 
        83 1  7 U   H1'  1  8 U   H5   . 3.000  3.500  3.510  3.510  3.510 0.010 1 0 "[ ]" 1 
        84 1  7 U   H1'  1  8 U   H6   . 3.300  3.700  3.617  3.617  3.617     . 0 0 "[ ]" 1 
        85 1  7 U   H1'  1  9 U   H4'  . 4.500 19.000  7.765  7.765  7.765     . 0 0 "[ ]" 1 
        86 1  7 U   H1'  1  9 U   H5   . 4.500 19.000  7.123  7.123  7.123     . 0 0 "[ ]" 1 
        87 1  7 U   H1'  1  9 U   H6   . 4.500 19.000  6.906  6.906  6.906     . 0 0 "[ ]" 1 
        88 1  7 U   H1'  1 11 A   H2   . 4.500 19.000  4.549  4.549  4.549     . 0 0 "[ ]" 1 
        89 1  7 U   H1'  1 12 A   H2   . 3.300  3.700  3.706  3.706  3.706 0.006 1 0 "[ ]" 1 
        90 1  7 U   H2'  1  7 U   H6   . 2.500  2.900  2.605  2.605  2.605     . 0 0 "[ ]" 1 
        91 1  7 U   H2'  1  8 U   H1'  . 4.500 19.000  7.661  7.661  7.661     . 0 0 "[ ]" 1 
        92 1  7 U   H2'  1  8 U   H5   . 4.500 19.000  5.787  5.787  5.787     . 0 0 "[ ]" 1 
        93 1  7 U   H2'  1  8 U   H6   . 4.500 19.000  4.810  4.810  4.810     . 0 0 "[ ]" 1 
        94 1  7 U   H2'  1  9 U   H5   . 4.000 19.000  4.225  4.225  4.225     . 0 0 "[ ]" 1 
        95 1  7 U   H2'  1  9 U   H6   . 4.500 19.000  4.487  4.487  4.487 0.013 1 0 "[ ]" 1 
        96 1  7 U   H2'  1 10 U   H6   . 4.500 19.000 12.233 12.233 12.233     . 0 0 "[ ]" 1 
        97 1  7 U   H2'  1 11 A   H2   . 4.500 19.000  4.765  4.765  4.765     . 0 0 "[ ]" 1 
        98 1  7 U   H2'  1 11 A   H8   . 4.500 19.000 10.363 10.363 10.363     . 0 0 "[ ]" 1 
        99 1  7 U   H2'  1 12 A   H2   . 4.500 19.000  6.135  6.135  6.135     . 0 0 "[ ]" 1 
       100 1  7 U   H3'  1  7 U   H6   . 2.500  2.900  2.924  2.924  2.924 0.024 1 0 "[ ]" 1 
       101 1  7 U   H3'  1  8 U   H1'  . 4.500 19.000  8.568  8.568  8.568     . 0 0 "[ ]" 1 
       102 1  7 U   H3'  1  8 U   H5   . 4.500 19.000  5.996  5.996  5.996     . 0 0 "[ ]" 1 
       103 1  7 U   H3'  1  8 U   H6   . 4.500 19.000  5.413  5.413  5.413     . 0 0 "[ ]" 1 
       104 1  7 U   H3'  1  9 U   H5   . 4.500 19.000  4.954  4.954  4.954     . 0 0 "[ ]" 1 
       105 1  7 U   H3'  1  9 U   H6   . 4.500 19.000  5.995  5.995  5.995     . 0 0 "[ ]" 1 
       106 1  7 U   H4'  1  8 U   H5   . 3.400  3.800  3.820  3.820  3.820 0.020 1 0 "[ ]" 1 
       107 1  7 U   H4'  1  8 U   H6   . 4.500 19.000  4.422  4.422  4.422 0.078 1 0 "[ ]" 1 
       108 1  7 U   H4'  1  9 U   H5   . 4.500 19.000  7.767  7.767  7.767     . 0 0 "[ ]" 1 
       109 1  7 U   H4'  1 12 A   H2   . 4.500 19.000  6.141  6.141  6.141     . 0 0 "[ ]" 1 
       110 1  7 U   H5   1  8 U   H6   . 4.500 19.000  8.648  8.648  8.648     . 0 0 "[ ]" 1 
       111 1  7 U   H5   1  9 U   H6   . 4.500 19.000  6.692  6.692  6.692     . 0 0 "[ ]" 1 
       112 1  7 U   H5   1 11 A   H2   . 4.500 19.000  6.046  6.046  6.046     . 0 0 "[ ]" 1 
       113 1  7 U   H5'  1  7 U   H6   . 3.200 19.000  4.081  4.081  4.081     . 0 0 "[ ]" 1 
       114 1  7 U   H5'  1 12 A   H2   . 4.500 19.000  6.875  6.875  6.875     . 0 0 "[ ]" 1 
       115 1  7 U   H5'' 1  7 U   H6   . 3.200 19.000  4.208  4.208  4.208     . 0 0 "[ ]" 1 
       116 1  7 U   H5'' 1 12 A   H2   . 4.500 19.000  7.971  7.971  7.971     . 0 0 "[ ]" 1 
       117 1  7 U   H6   1  8 U   H5   . 4.500 19.000  6.850  6.850  6.850     . 0 0 "[ ]" 1 
       118 1  7 U   H6   1  8 U   H6   . 4.500 19.000  6.704  6.704  6.704     . 0 0 "[ ]" 1 
       119 1  7 U   H6   1 11 A   H2   . 4.500 19.000  5.891  5.891  5.891     . 0 0 "[ ]" 1 
       120 1  8 U   H1'  1  9 U   H2'  . 4.500 19.000  9.250  9.250  9.250     . 0 0 "[ ]" 1 
       121 1  8 U   H1'  1  9 U   H3'  . 4.500 19.000  8.128  8.128  8.128     . 0 0 "[ ]" 1 
       122 1  8 U   H1'  1  9 U   H5   . 4.500 19.000  9.778  9.778  9.778     . 0 0 "[ ]" 1 
       123 1  8 U   H1'  1  9 U   H6   . 4.500 19.000  8.372  8.372  8.372     . 0 0 "[ ]" 1 
       124 1  8 U   H1'  1 11 A   H2   . 4.500 19.000  7.383  7.383  7.383     . 0 0 "[ ]" 1 
       125 1  8 U   H1'  1 12 A   H8   . 4.500 19.000 10.912 10.912 10.912     . 0 0 "[ ]" 1 
       126 1  8 U   H2'  1  8 U   H6   . 2.500  2.900  2.471  2.471  2.471 0.029 1 0 "[ ]" 1 
       127 1  8 U   H2'  1  9 U   H1'  . 4.500 19.000  7.803  7.803  7.803     . 0 0 "[ ]" 1 
       128 1  8 U   H2'  1  9 U   H5   . 4.500 19.000  7.894  7.894  7.894     . 0 0 "[ ]" 1 
       129 1  8 U   H2'  1  9 U   H6   . 4.000 19.000  6.484  6.484  6.484     . 0 0 "[ ]" 1 
       130 1  8 U   H2'  1 11 A   H2   . 4.500 19.000  4.460  4.460  4.460 0.040 1 0 "[ ]" 1 
       131 1  8 U   H2'  1 12 A   H1'  . 4.500 19.000  4.952  4.952  4.952     . 0 0 "[ ]" 1 
       132 1  8 U   H2'  1 12 A   H2   . 4.500 19.000  6.449  6.449  6.449     . 0 0 "[ ]" 1 
       133 1  8 U   H3'  1  8 U   H6   . 2.600  3.000  3.080  3.080  3.080 0.080 1 0 "[ ]" 1 
       134 1  8 U   H3'  1  9 U   H5   . 4.500 19.000  5.961  5.961  5.961     . 0 0 "[ ]" 1 
       135 1  8 U   H3'  1  9 U   H6   . 4.500 19.000  4.652  4.652  4.652     . 0 0 "[ ]" 1 
       136 1  8 U   H3'  1 11 A   H2   . 4.500 19.000  4.724  4.724  4.724     . 0 0 "[ ]" 1 
       137 1  8 U   H3'  1 12 A   H1'  . 4.500 19.000  6.558  6.558  6.558     . 0 0 "[ ]" 1 
       138 1  8 U   H4'  1  9 U   H5   . 4.000 19.000  7.667  7.667  7.667     . 0 0 "[ ]" 1 
       139 1  8 U   H4'  1  9 U   H6   . 4.500 19.000  6.534  6.534  6.534     . 0 0 "[ ]" 1 
       140 1  8 U   H4'  1 11 A   H2   . 4.500 19.000  7.606  7.606  7.606     . 0 0 "[ ]" 1 
       141 1  8 U   H4'  1 12 A   H1'  . 4.500 19.000  8.822  8.822  8.822     . 0 0 "[ ]" 1 
       142 1  8 U   H5   1  9 U   H6   . 4.500 19.000  9.246  9.246  9.246     . 0 0 "[ ]" 1 
       143 1  8 U   H5   1 10 U   H6   . 4.500 19.000 16.142 16.142 16.142     . 0 0 "[ ]" 1 
       144 1  8 U   H5   1 11 A   H2   . 4.500 19.000  6.941  6.941  6.941     . 0 0 "[ ]" 1 
       145 1  8 U   H5   1 12 A   H1'  . 4.500 19.000  6.760  6.760  6.760     . 0 0 "[ ]" 1 
       146 1  8 U   H5   1 12 A   H2   . 4.500 19.000  5.398  5.398  5.398     . 0 0 "[ ]" 1 
       147 1  8 U   H5'  1  9 U   H5   . 4.500 19.000  7.300  7.300  7.300     . 0 0 "[ ]" 1 
       148 1  8 U   H5'  1  9 U   H6   . 4.500 19.000  6.965  6.965  6.965     . 0 0 "[ ]" 1 
       149 1  8 U   H5'  1 12 A   H1'  . 4.500 19.000  9.215  9.215  9.215     . 0 0 "[ ]" 1 
       150 1  8 U   H5'  1 12 A   H2   . 4.500 19.000  9.042  9.042  9.042     . 0 0 "[ ]" 1 
       151 1  8 U   H5'' 1  9 U   H5   . 4.500 19.000  6.555  6.555  6.555     . 0 0 "[ ]" 1 
       152 1  8 U   H5'' 1  9 U   H6   . 4.500 19.000  6.131  6.131  6.131     . 0 0 "[ ]" 1 
       153 1  8 U   H5'' 1 12 A   H1'  . 4.500 19.000  9.932  9.932  9.932     . 0 0 "[ ]" 1 
       154 1  8 U   H5'' 1 12 A   H2   . 4.500 19.000 10.173 10.173 10.173     . 0 0 "[ ]" 1 
       155 1  8 U   H6   1  9 U   H5   . 4.500 19.000  8.074  8.074  8.074     . 0 0 "[ ]" 1 
       156 1  8 U   H6   1 10 U   H5   . 4.500 19.000 15.152 15.152 15.152     . 0 0 "[ ]" 1 
       157 1  8 U   H6   1 11 A   H2   . 4.500 19.000  5.962  5.962  5.962     . 0 0 "[ ]" 1 
       158 1  8 U   H6   1 12 A   H2   . 4.500 19.000  6.367  6.367  6.367     . 0 0 "[ ]" 1 
       159 1  9 U   H1'  1  9 U   H6   . 3.200  3.700  3.704  3.704  3.704 0.004 1 0 "[ ]" 1 
       160 1  9 U   H1'  1 10 U   H1'  . 4.000  5.000  5.005  5.005  5.005 0.005 1 0 "[ ]" 1 
       161 1  9 U   H1'  1 10 U   H4'  . 4.500 19.000  5.298  5.298  5.298     . 0 0 "[ ]" 1 
       162 1  9 U   H1'  1 10 U   H5   . 4.000 19.000  6.388  6.388  6.388     . 0 0 "[ ]" 1 
       163 1  9 U   H1'  1 10 U   H5'  . 4.500 19.000  4.585  4.585  4.585     . 0 0 "[ ]" 1 
       164 1  9 U   H1'  1 10 U   H6   . 4.500 19.000  5.546  5.546  5.546     . 0 0 "[ ]" 1 
       165 1  9 U   H1'  1 11 A   H2   . 4.500 19.000  4.922  4.922  4.922     . 0 0 "[ ]" 1 
       166 1  9 U   H1'  1 11 A   H2'  . 4.500 19.000  6.818  6.818  6.818     . 0 0 "[ ]" 1 
       167 1  9 U   H1'  1 11 A   H8   . 4.500 19.000  5.337  5.337  5.337     . 0 0 "[ ]" 1 
       168 1  9 U   H2'  1  9 U   H5   . 4.500 19.000  4.489  4.489  4.489 0.011 1 0 "[ ]" 1 
       169 1  9 U   H2'  1  9 U   H6   . 2.400  2.800  2.504  2.504  2.504     . 0 0 "[ ]" 1 
       170 1  9 U   H2'  1 10 U   H1'  . 4.500 19.000  7.340  7.340  7.340     . 0 0 "[ ]" 1 
       171 1  9 U   H2'  1 10 U   H6   . 4.000 19.000  6.323  6.323  6.323     . 0 0 "[ ]" 1 
       172 1  9 U   H2'  1 11 A   H1'  . 4.500 19.000  7.902  7.902  7.902     . 0 0 "[ ]" 1 
       173 1  9 U   H2'  1 11 A   H2   . 4.500 19.000  6.539  6.539  6.539     . 0 0 "[ ]" 1 
       174 1  9 U   H2'  1 11 A   H8   . 4.500 19.000  8.079  8.079  8.079     . 0 0 "[ ]" 1 
       175 1  9 U   H2'  1 12 A   H1'  . 4.500 19.000  9.740  9.740  9.740     . 0 0 "[ ]" 1 
       176 1  9 U   H3'  1  9 U   H6   . 3.200  4.000  4.023  4.023  4.023 0.023 1 0 "[ ]" 1 
       177 1  9 U   H3'  1 10 U   H5   . 4.000 19.000  6.747  6.747  6.747     . 0 0 "[ ]" 1 
       178 1  9 U   H3'  1 10 U   H6   . 4.000 19.000  6.171  6.171  6.171     . 0 0 "[ ]" 1 
       179 1  9 U   H3'  1 11 A   H1'  . 4.500 19.000  6.733  6.733  6.733     . 0 0 "[ ]" 1 
       180 1  9 U   H3'  1 11 A   H2   . 4.500 19.000  6.318  6.318  6.318     . 0 0 "[ ]" 1 
       181 1  9 U   H3'  1 12 A   H1'  . 4.500 19.000  8.841  8.841  8.841     . 0 0 "[ ]" 1 
       182 1  9 U   H4'  1 10 U   H6   . 4.500 19.000  6.477  6.477  6.477     . 0 0 "[ ]" 1 
       183 1  9 U   H4'  1 11 A   H1'  . 3.600  4.000  4.039  4.039  4.039 0.039 1 0 "[ ]" 1 
       184 1  9 U   H4'  1 11 A   H2   . 3.400  3.800  3.841  3.841  3.841 0.041 1 0 "[ ]" 1 
       185 1  9 U   H5   1 10 U   H5   . 4.000 19.000  9.924  9.924  9.924     . 0 0 "[ ]" 1 
       186 1  9 U   H5   1 11 A   H2   . 4.500 19.000  6.938  6.938  6.938     . 0 0 "[ ]" 1 
       187 1  9 U   H5   1 11 A   H4'  . 4.500 19.000 13.184 13.184 13.184     . 0 0 "[ ]" 1 
       188 1  9 U   H5   1 11 A   H5'  . 4.500 19.000 13.575 13.575 13.575     . 0 0 "[ ]" 1 
       189 1  9 U   H5   1 11 A   H5'' . 4.500 19.000 14.490 14.490 14.490     . 0 0 "[ ]" 1 
       190 1  9 U   H5   1 12 A   H1'  . 4.500 19.000 10.494 10.494 10.494     . 0 0 "[ ]" 1 
       191 1  9 U   H5   1 12 A   H2   . 4.500 19.000  9.981  9.981  9.981     . 0 0 "[ ]" 1 
       192 1  9 U   H5'  1 10 U   H6   . 4.500 19.000  8.727  8.727  8.727     . 0 0 "[ ]" 1 
       193 1  9 U   H5'  1 11 A   H1'  . 4.000  5.500  5.101  5.101  5.101     . 0 0 "[ ]" 1 
       194 1  9 U   H5'  1 11 A   H2   . 3.300  5.500  3.301  3.301  3.301     . 0 0 "[ ]" 1 
       195 1  9 U   H5'  1 11 A   H8   . 4.500 19.000  7.263  7.263  7.263     . 0 0 "[ ]" 1 
       196 1  9 U   H5'  1 12 A   H1'  . 4.500 19.000  5.489  5.489  5.489     . 0 0 "[ ]" 1 
       197 1  9 U   H5'' 1 10 U   H6   . 4.500 19.000  7.961  7.961  7.961     . 0 0 "[ ]" 1 
       198 1  9 U   H5'' 1 11 A   H1'  . 4.000  5.500  5.528  5.528  5.528 0.028 1 0 "[ ]" 1 
       199 1  9 U   H5'' 1 11 A   H2   . 3.300  5.500  4.946  4.946  4.946     . 0 0 "[ ]" 1 
       200 1  9 U   H5'' 1 11 A   H8   . 4.500 19.000  7.583  7.583  7.583     . 0 0 "[ ]" 1 
       201 1  9 U   H5'' 1 12 A   H1'  . 4.500 19.000  6.767  6.767  6.767     . 0 0 "[ ]" 1 
       202 1  9 U   H6   1 10 U   H5   . 4.000 19.000  8.581  8.581  8.581     . 0 0 "[ ]" 1 
       203 1  9 U   H6   1 10 U   H6   . 4.500 19.000  8.467  8.467  8.467     . 0 0 "[ ]" 1 
       204 1  9 U   H6   1 11 A   H1'  . 4.500 19.000  8.272  8.272  8.272     . 0 0 "[ ]" 1 
       205 1  9 U   H6   1 11 A   H2   . 4.500 19.000  5.488  5.488  5.488     . 0 0 "[ ]" 1 
       206 1  9 U   H6   1 11 A   H4'  . 4.500 19.000 11.065 11.065 11.065     . 0 0 "[ ]" 1 
       207 1  9 U   H6   1 11 A   H5'  . 4.500 19.000 11.489 11.489 11.489     . 0 0 "[ ]" 1 
       208 1  9 U   H6   1 11 A   H5'' . 4.500 19.000 12.516 12.516 12.516     . 0 0 "[ ]" 1 
       209 1  9 U   H6   1 12 A   H1'  . 4.500 19.000  8.951  8.951  8.951     . 0 0 "[ ]" 1 
       210 1 10 U   H1'  1 11 A   H8   . 4.000 19.000  3.700  3.700  3.700 0.300 1 0 "[ ]" 1 
       211 1 10 U   H2'  1 10 U   H6   . 2.500  2.900  2.450  2.450  2.450 0.050 1 0 "[ ]" 1 
       212 1 10 U   H2'  1 11 A   H1'  . 4.500 19.000  7.989  7.989  7.989     . 0 0 "[ ]" 1 
       213 1 10 U   H2'  1 11 A   H8   . 3.800  5.000  5.427  5.427  5.427 0.427 1 0 "[ ]" 1 
       214 1 10 U   H3'  1 10 U   H6   . 2.700  3.100  3.173  3.173  3.173 0.073 1 0 "[ ]" 1 
       215 1 10 U   H3'  1 11 A   H1'  . 4.000 19.000  6.930  6.930  6.930     . 0 0 "[ ]" 1 
       216 1 10 U   H3'  1 11 A   H8   . 3.800  5.000  5.091  5.091  5.091 0.091 1 0 "[ ]" 1 
       217 1 10 U   H4'  1 11 A   H1'  . 4.500  5.000  4.341  4.341  4.341 0.159 1 0 "[ ]" 1 
       218 1 10 U   H4'  1 11 A   H8   . 3.300  4.300  3.008  3.008  3.008 0.292 1 0 "[ ]" 1 
       219 1 10 U   H5   1 11 A   H2   . 4.500 19.000 11.129 11.129 11.129     . 0 0 "[ ]" 1 
       220 1 10 U   H5   1 11 A   H8   . 4.500 19.000  8.375  8.375  8.375     . 0 0 "[ ]" 1 
       221 1 10 U   H5'  1 10 U   H6   . 3.500  5.500  4.143  4.143  4.143     . 0 0 "[ ]" 1 
       222 1 10 U   H5'  1 11 A   H1'  . 4.500 19.000  4.492  4.492  4.492 0.008 1 0 "[ ]" 1 
       223 1 10 U   H5'  1 11 A   H8   . 3.200  5.500  4.483  4.483  4.483     . 0 0 "[ ]" 1 
       224 1 10 U   H5'' 1 10 U   H6   . 3.500  5.500  3.653  3.653  3.653     . 0 0 "[ ]" 1 
       225 1 10 U   H5'' 1 11 A   H1'  . 4.500 19.000  5.825  5.825  5.825     . 0 0 "[ ]" 1 
       226 1 10 U   H5'' 1 11 A   H8   . 3.200  5.500  5.387  5.387  5.387     . 0 0 "[ ]" 1 
       227 1 10 U   H6   1 11 A   H1'  . 4.500 19.000  8.136  8.136  8.136     . 0 0 "[ ]" 1 
       228 1 10 U   H6   1 11 A   H2   . 4.500 19.000  9.812  9.812  9.812     . 0 0 "[ ]" 1 
       229 1 10 U   H6   1 11 A   H2'  . 4.500 19.000  8.959  8.959  8.959     . 0 0 "[ ]" 1 
       230 1 10 U   H6   1 11 A   H3'  . 4.500 19.000  9.382  9.382  9.382     . 0 0 "[ ]" 1 
       231 1 10 U   H6   1 11 A   H8   . 4.500 19.000  6.285  6.285  6.285     . 0 0 "[ ]" 1 
       232 1 11 A   H1'  1 11 A   H2'  . 2.900  3.300  2.834  2.834  2.834 0.066 1 0 "[ ]" 1 
       233 1 11 A   H1'  1 11 A   H8   . 3.000  3.400  3.672  3.672  3.672 0.272 1 0 "[ ]" 1 
       234 1 11 A   H1'  1 12 A   H1'  . 4.500 19.000  4.555  4.555  4.555     . 0 0 "[ ]" 1 
       235 1 11 A   H1'  1 12 A   H5'  . 3.500  5.500  3.896  3.896  3.896     . 0 0 "[ ]" 1 
       236 1 11 A   H1'  1 12 A   H5'' . 3.500  5.500  5.567  5.567  5.567 0.067 1 0 "[ ]" 1 
       237 1 11 A   H1'  1 12 A   H8   . 2.900  3.900  3.994  3.994  3.994 0.094 1 0 "[ ]" 1 
       238 1 11 A   H2   1 12 A   H1'  . 3.300  3.700  3.737  3.737  3.737 0.037 1 0 "[ ]" 1 
       239 1 11 A   H2   1 12 A   H2   . 4.000  5.000  5.017  5.017  5.017 0.017 1 0 "[ ]" 1 
       240 1 11 A   H2   1 12 A   H2'  . 4.500 19.000  6.043  6.043  6.043     . 0 0 "[ ]" 1 
       241 1 11 A   H2   1 12 A   H3'  . 4.500 19.000  6.830  6.830  6.830     . 0 0 "[ ]" 1 
       242 1 11 A   H2   1 12 A   H4'  . 4.500 19.000  6.839  6.839  6.839     . 0 0 "[ ]" 1 
       243 1 11 A   H2   1 12 A   H5'  . 4.500 19.000  7.086  7.086  7.086     . 0 0 "[ ]" 1 
       244 1 11 A   H2   1 12 A   H5'' . 4.500 19.000  8.283  8.283  8.283     . 0 0 "[ ]" 1 
       245 1 11 A   H2   1 12 A   H8   . 4.500 19.000  5.422  5.422  5.422     . 0 0 "[ ]" 1 
       246 1 11 A   H2'  1 11 A   H8   . 2.800  3.200  2.845  2.845  2.845     . 0 0 "[ ]" 1 
       247 1 11 A   H2'  1 12 A   H1'  . 4.500 19.000  5.487  5.487  5.487     . 0 0 "[ ]" 1 
       248 1 11 A   H2'  1 12 A   H8   . 2.900  3.300  2.749  2.749  2.749 0.151 1 0 "[ ]" 1 
       249 1 11 A   H3'  1 11 A   H8   . 3.100  3.500  3.503  3.503  3.503 0.003 1 0 "[ ]" 1 
       250 1 11 A   H3'  1 12 A   H8   . 3.200  3.600  3.781  3.781  3.781 0.181 1 0 "[ ]" 1 
       251 1 12 A   H1'  1 12 A   H2'  . 2.800  3.200  2.759  2.759  2.759 0.041 1 0 "[ ]" 1 
       252 1 12 A   H1'  1 12 A   H8   . 3.500  3.900  3.850  3.850  3.850     . 0 0 "[ ]" 1 
       253 1 12 A   H1'  1 13 PSU H6   . 4.500 19.000  5.081  5.081  5.081     . 0 0 "[ ]" 1 
       254 1 12 A   H2   1 13 PSU H1'  . 2.800  3.200  3.210  3.210  3.210 0.010 1 0 "[ ]" 1 
       255 1 12 A   H2'  1 12 A   H8   . 3.900  4.300  4.150  4.150  4.150     . 0 0 "[ ]" 1 
       256 1 12 A   H2'  1 13 PSU H6   . 2.600  3.000  2.712  2.712  2.712     . 0 0 "[ ]" 1 
       257 1 12 A   H3'  1 13 PSU H6   . 2.700  3.700  2.683  2.683  2.683 0.017 1 0 "[ ]" 1 
       258 1 12 A   H5'  1 12 A   H8   . 3.100 19.000  3.768  3.768  3.768     . 0 0 "[ ]" 1 
       259 1 12 A   H5'' 1 12 A   H8   . 3.100 19.000  4.315  4.315  4.315     . 0 0 "[ ]" 1 
       260 1 13 PSU H1'  1 13 PSU H6   . 4.000  5.000  3.854  3.854  3.854 0.146 1 0 "[ ]" 1 
       261 1 13 PSU H1'  1 14 C   H6   . 4.500 19.000  4.886  4.886  4.886     . 0 0 "[ ]" 1 
       262 1 13 PSU H2'  1 13 PSU H6   . 4.000  5.000  3.989  3.989  3.989 0.011 1 0 "[ ]" 1 
       263 1 13 PSU H2'  1 14 C   H1'  . 4.500 19.000  4.451  4.451  4.451 0.049 1 0 "[ ]" 1 
       264 1 13 PSU H2'  1 14 C   H6   . 2.400  2.800  2.436  2.436  2.436     . 0 0 "[ ]" 1 
       265 1 13 PSU H3'  1 14 C   H6   . 2.700  3.700  3.761  3.761  3.761 0.061 1 0 "[ ]" 1 
       266 1 14 C   H1'  1 14 C   H2'  . 2.800  3.200  2.777  2.777  2.777 0.023 1 0 "[ ]" 1 
       267 1 14 C   H1'  1 14 C   H4'  . 3.200  3.600  3.178  3.178  3.178 0.022 1 0 "[ ]" 1 
       268 1 14 C   H1'  1 14 C   H6   . 3.300  3.700  3.718  3.718  3.718 0.018 1 0 "[ ]" 1 
       269 1 14 C   H1'  1 15 U   H6   . 4.500 19.000  5.115  5.115  5.115     . 0 0 "[ ]" 1 
       270 1 14 C   H2'  1 14 C   H6   . 3.200  3.600  3.624  3.624  3.624 0.024 1 0 "[ ]" 1 
       271 1 14 C   H2'  1 15 U   H1'  . 4.500 19.000  4.476  4.476  4.476 0.024 1 0 "[ ]" 1 
       272 1 14 C   H2'  1 15 U   H6   . 2.400  2.800  2.472  2.472  2.472     . 0 0 "[ ]" 1 
       273 1 14 C   H3'  1 15 U   H6   . 3.000  3.400  3.443  3.443  3.443 0.043 1 0 "[ ]" 1 
       274 1 14 C   H5   1 15 U   H6   . 4.500 19.000  5.228  5.228  5.228     . 0 0 "[ ]" 1 
       275 1 15 U   H1'  1 15 U   H2'  . 2.600  3.000  2.734  2.734  2.734     . 0 0 "[ ]" 1 
       276 1 15 U   H1'  1 15 U   H4'  . 3.500  3.900  3.426  3.426  3.426 0.074 1 0 "[ ]" 1 
       277 1 15 U   H1'  1 15 U   H6   . 3.600  4.000  3.646  3.646  3.646     . 0 0 "[ ]" 1 
       278 1 15 U   H1'  1 16 G   H8   . 4.500 19.000  5.024  5.024  5.024     . 0 0 "[ ]" 1 
       279 1 15 U   H2'  1 16 G   H1'  . 4.000  5.000  4.081  4.081  4.081     . 0 0 "[ ]" 1 
       280 1 15 U   H3'  1 16 G   H8   . 2.700  3.700  3.721  3.721  3.721 0.021 1 0 "[ ]" 1 
       281 1 15 U   H5   1 16 G   H8   . 4.500 19.000  5.963  5.963  5.963     . 0 0 "[ ]" 1 
       282 1 16 G   H1'  1 16 G   H2'  . 2.700  3.100  2.762  2.762  2.762     . 0 0 "[ ]" 1 
       283 1 16 G   H1'  1 16 G   H4'  . 3.300  3.700  3.280  3.280  3.280 0.020 1 0 "[ ]" 1 
       284 1 16 G   H1'  1 16 G   H8   . 3.300  3.700  3.754  3.754  3.754 0.054 1 0 "[ ]" 1 
       285 1 16 G   H1'  1 17 A   H8   . 4.500 19.000  5.047  5.047  5.047     . 0 0 "[ ]" 1 
       286 1 16 G   H2'  1 17 A   H1'  . 4.500 19.000  4.486  4.486  4.486 0.014 1 0 "[ ]" 1 
       287 1 16 G   H2'  1 17 A   H8   . 2.500  2.900  2.529  2.529  2.529     . 0 0 "[ ]" 1 
       288 1 16 G   H3'  1 17 A   H8   . 3.000  3.400  3.457  3.457  3.457 0.057 1 0 "[ ]" 1 
       289 1 16 G   O6   1 17 A   N6   .     .  5.000  2.761  2.761  2.761     . 0 0 "[ ]" 1 
       290 1 17 A   H1'  1 17 A   H2'  . 2.700  3.100  2.802  2.802  2.802     . 0 0 "[ ]" 1 
       291 1 17 A   H1'  1 17 A   H8   . 3.400  3.800  3.830  3.830  3.830 0.030 1 0 "[ ]" 1 
       292 1 17 A   H2'  1 17 A   H8   . 2.800  3.200  3.253  3.253  3.253 0.053 1 0 "[ ]" 1 
    stop_

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