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
472597 1a8n cing 4-filtered-FRED Wattos check violation distance


data_1a8n


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              482
    _Distance_constraint_stats_list.Viol_count                    1652
    _Distance_constraint_stats_list.Viol_total                    19309.527
    _Distance_constraint_stats_list.Viol_max                      13.626
    _Distance_constraint_stats_list.Viol_rms                      2.0290
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.6260
    _Distance_constraint_stats_list.Viol_average_violations_only  1.4611
    _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 420.714 11.472 7 8  [******+-]  
       1  2 DG  42.995  1.428 5 8  [*-**+***]  
       1  3 DG  38.169  1.428 5 8  [*-**+***]  
       1  4 DC 117.871  8.173 3 8  [**+***-*]  
       1  5 DT 106.370  7.028 6 8  [****-+**]  
       1  6 DT  35.724  1.349 6 8  [****-+**]  
       1  7 DT  30.783  1.203 2 7 "[*+****- ]" 
       1  8 DT 692.480 13.626 7 8  [******+*]  
       1  9 DG 183.375  8.840 7 8  [***-**+*]  
       1 10 DG  17.672  1.433 8 8  [**-****+]  
       1 11 DG  17.200  1.433 8 8  [****-**+]  
       1 12 DC 616.421 13.626 7 8  [****-*+*]  
       2  1 DG 420.759 11.485 7 8  [******+-]  
       2  2 DG  43.024  1.427 5 8  [*-**+***]  
       2  3 DG  38.309  1.427 5 8  [*-**+***]  
       2  4 DC 117.746  8.174 3 8  [**+***-*]  
       2  5 DT 106.491  7.032 6 8  [*****+**]  
       2  6 DT  36.184  1.322 6 8  [*****+**]  
       2  7 DT  31.246  1.202 2 6 "[*+*** - ]" 
       2  8 DT 692.162 13.625 7 8  [******+*]  
       2  9 DG 183.372  8.838 7 8  [***-**+*]  
       2 10 DG  17.724  1.432 8 8  [***-***+]  
       2 11 DG  16.943  1.432 8 8  [****-**+]  
       2 12 DC 616.350 13.625 7 8  [****-*+*]  
    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 H4'  1  1 DG H8   3.580 2.860 4.300  4.682  4.569  4.769  0.469 1 0 "[    .   ]" 1 
         2 1  1 DG H1'  1  1 DG H4'  2.370     . 2.840  2.526  2.496  2.553      . 0 0 "[    .   ]" 1 
         3 1  1 DG H1'  1  1 DG H2'' 2.320     . 2.780  2.426  2.382  2.457      . 0 0 "[    .   ]" 1 
         4 1  1 DG H1'  1  1 DG H2'  2.440     . 2.930  2.973  2.943  2.997  0.067 4 0 "[    .   ]" 1 
         5 1  1 DG H3'  1  1 DG H4'  2.180     . 2.620  2.863  2.826  2.897  0.277 2 0 "[    .   ]" 1 
         6 1  1 DG H3'  1  1 DG H8   3.030 2.420 3.640  3.421  3.291  3.613      . 0 0 "[    .   ]" 1 
         7 1  1 DG H1'  1  1 DG H3'  3.130 2.500 3.760  3.831  3.801  3.866  0.106 4 0 "[    .   ]" 1 
         8 1  1 DG H2'' 1  1 DG H3'  2.440     . 2.930  3.013  2.946  3.056  0.126 1 0 "[    .   ]" 1 
         9 1  1 DG H2'  1  1 DG H3'  2.140     . 2.570  2.232  2.221  2.241      . 0 0 "[    .   ]" 1 
        10 1  1 DG H2'  1  1 DG H8   2.370     . 2.840  2.686  2.585  2.814      . 0 0 "[    .   ]" 1 
        11 1  1 DG H2'' 1  1 DG H4'  2.630 2.100 3.160  3.170  3.071  3.299  0.139 4 0 "[    .   ]" 1 
        12 1  1 DG Q5'  1  1 DG H8   3.460 2.770 4.150  4.109  3.862  4.470  0.320 5 0 "[    .   ]" 1 
        13 1  1 DG H1'  1  1 DG H8   3.240 2.590 3.890  3.861  3.828  3.902  0.012 2 0 "[    .   ]" 1 
        14 1  1 DG H2'' 1  2 DG H4'  3.620 2.900 4.340  4.293  4.041  4.489  0.149 3 0 "[    .   ]" 1 
        15 1  1 DG H1'  1  2 DG H4'  3.210 2.570 3.850  4.305  4.008  4.683  0.833 5 4 "[*   + *-]" 1 
        16 1  1 DG H1'  1  2 DG H3'  3.600 2.880 4.320  5.167  4.569  5.657  1.337 2 6 "[ +**.*-*]" 1 
        17 1  1 DG H8   1  4 DC H5   3.230 2.580 3.880 11.749 11.288 12.053  8.173 3 8  [**+****-]  1 
        18 1  1 DG H8   1  5 DT M7   6.000 4.800 7.200 13.882 13.322 14.228  7.028 6 8  [*-***+**]  1 
        19 1  1 DG H1'  1  8 DT M7   5.360 4.290 6.430 13.649 12.992 14.581  8.151 7 8  [**-***+*]  1 
        20 1  1 DG H8   1  8 DT M7   6.000 4.800 7.200 12.518 12.113 13.094  5.894 7 8  [**-***+*]  1 
        21 1  2 DG H2'' 1  2 DG H4'  3.080 2.460 3.700  3.822  3.522  4.097  0.397 2 0 "[    .   ]" 1 
        22 1  2 DG H1'  1  2 DG H8   2.210     . 2.650  2.597  2.563  2.657  0.007 3 0 "[    .   ]" 1 
        23 1  2 DG H2'  1  2 DG H4'  3.180 2.540 3.820  3.739  3.651  3.810      . 0 0 "[    .   ]" 1 
        24 1  2 DG H1'  1  2 DG H2'  2.480     . 2.980  3.058  3.045  3.084  0.104 6 0 "[    .   ]" 1 
        25 1  2 DG H2'' 1  2 DG H8   3.190 2.550 3.830  4.059  3.892  4.193  0.363 7 0 "[    .   ]" 1 
        26 1  2 DG H1'  1  2 DG H2'' 2.240     . 2.690  2.431  2.391  2.457      . 0 0 "[    .   ]" 1 
        27 1  2 DG H3'  1  2 DG H8   4.550 3.640 5.460  5.957  5.860  6.029  0.569 3 4 "[  + .**-]" 1 
        28 1  2 DG H2'  1  2 DG H8   3.770 3.020 4.520  4.637  4.591  4.701  0.181 7 0 "[    .   ]" 1 
        29 1  2 DG H8   1  3 DG H3'  4.400 3.520 5.280  5.608  5.528  5.686  0.406 5 0 "[    .   ]" 1 
        30 1  2 DG H8   1  3 DG Q2'  4.020 3.520 4.820  4.638  4.501  4.725      . 0 0 "[    .   ]" 1 
        31 1  2 DG H8   1  3 DG H1'  3.030 2.420 3.640  3.694  3.533  3.838  0.198 6 0 "[    .   ]" 1 
        32 1  2 DG H1'  1  3 DG H8   3.260 2.610 3.910  4.243  4.050  4.412  0.502 2 1 "[ +  .   ]" 1 
        33 1  2 DG H3'  1  3 DG H8   3.460 2.770 4.150  4.939  4.832  5.039  0.889 7 8  [-*****+*]  1 
        34 1  2 DG H8   1  3 DG H4'  3.390 2.710 4.070  3.658  3.551  3.775      . 0 0 "[    .   ]" 1 
        35 1  2 DG H2'  1  3 DG H8   2.710 2.170 3.250  3.271  3.104  3.588  0.338 7 0 "[    .   ]" 1 
        36 1  2 DG H2'' 1  3 DG H8   2.420     . 2.900  2.558  2.493  2.621      . 0 0 "[    .   ]" 1 
        37 1  2 DG H8   1  3 DG H8   4.130 3.300 4.960  4.391  4.305  4.484      . 0 0 "[    .   ]" 1 
        38 1  3 DG H3'  1  3 DG H4'  2.360     . 2.830  2.757  2.636  2.859  0.029 2 0 "[    .   ]" 1 
        39 1  3 DG H4'  1  3 DG H8   4.150 3.320 4.980  5.084  4.861  5.227  0.247 6 0 "[    .   ]" 1 
        40 1  3 DG H3'  1  3 DG H8   3.290 2.630 3.950  4.662  4.360  4.891  0.941 6 7 "[- ***+**]" 1 
        41 1  3 DG Q2'  1  3 DG H3'  2.200     . 2.640  2.223  2.163  2.284      . 0 0 "[    .   ]" 1 
        42 1  3 DG Q2'  1  3 DG H4'  3.030 2.420 3.640  3.388  3.346  3.419      . 0 0 "[    .   ]" 1 
        43 1  3 DG Q2'  1  3 DG H8   2.290 2.040 2.750  2.440  2.384  2.491      . 0 0 "[    .   ]" 1 
        44 1  3 DG H1'  1  3 DG H3'  2.890 2.310 3.470  3.658  3.532  3.781  0.311 2 0 "[    .   ]" 1 
        45 1  3 DG H1'  1  3 DG H8   3.470 2.780 4.160  3.959  3.886  4.019      . 0 0 "[    .   ]" 1 
        46 1  3 DG H1'  1  3 DG Q2'  2.250 2.010 2.700  2.374  2.320  2.497      . 0 0 "[    .   ]" 1 
        47 1  3 DG H1'  1  3 DG H4'  2.580 2.060 3.100  2.826  2.694  3.002      . 0 0 "[    .   ]" 1 
        48 1  3 DG Q2'  1  4 DC H6   3.030 2.420 3.310  2.770  2.717  2.888      . 0 0 "[    .   ]" 1 
        49 1  3 DG H8   1  4 DC H6   4.180 3.340 5.020  4.980  4.868  5.269  0.249 2 0 "[    .   ]" 1 
        50 1  3 DG H1'  1  4 DC H6   2.960 2.370 3.550  3.602  3.466  3.936  0.386 7 0 "[    .   ]" 1 
        51 1  3 DG H3'  1  4 DC H6   3.930 3.140 4.720  5.447  5.289  5.641  0.921 2 8  [*+*****-]  1 
        52 1  3 DG H8   1  4 DC H5   3.770 3.020 4.520  4.280  4.098  4.609  0.089 2 0 "[    .   ]" 1 
        53 1  3 DG Q2'  1  4 DC H5   3.380 2.700 3.560  3.725  3.643  3.849  0.289 7 0 "[    .   ]" 1 
        54 1  4 DC H4'  1  4 DC H6   3.740 2.990 4.490  4.520  4.368  4.631  0.141 7 0 "[    .   ]" 1 
        55 1  4 DC Q5'  1  4 DC H6   3.310 2.650 3.970  3.869  3.544  4.359  0.389 2 0 "[    .   ]" 1 
        56 1  4 DC Q2'  1  4 DC H4'  2.510 2.310 3.010  2.592  2.518  2.858      . 0 0 "[    .   ]" 1 
        57 1  4 DC H1'  1  4 DC Q2'  2.080     . 2.500  2.251  2.204  2.275      . 0 0 "[    .   ]" 1 
        58 1  4 DC Q2'  1  4 DC H3'  2.430     . 2.810  2.352  2.331  2.381      . 0 0 "[    .   ]" 1 
        59 1  4 DC Q2'  1  4 DC H5       . 3.670 4.420  4.416  4.328  4.499  0.079 1 0 "[    .   ]" 1 
        60 1  4 DC H1'  1  4 DC H4'  2.700 2.160 3.240  2.966  2.850  3.100      . 0 0 "[    .   ]" 1 
        61 1  4 DC Q2'  1  4 DC H6   2.350     . 2.820  2.814  2.660  2.937  0.117 6 0 "[    .   ]" 1 
        62 1  4 DC H3'  1  4 DC H4'  2.550 2.040 3.060  3.019  2.935  3.078  0.018 8 0 "[    .   ]" 1 
        63 1  4 DC H1'  1  4 DC H3'  3.280 2.620 3.940  3.787  3.715  3.960  0.020 4 0 "[    .   ]" 1 
        64 1  4 DC H1'  1  4 DC H6   3.280 2.620 3.940  3.732  3.653  3.799      . 0 0 "[    .   ]" 1 
        65 1  4 DC Q2'  1  5 DT M7   3.580 2.860 4.300  3.230  2.603  3.998  0.257 7 0 "[    .   ]" 1 
        66 1  4 DC H6   1  5 DT M7   3.720 2.980 4.460  3.702  3.263  3.933      . 0 0 "[    .   ]" 1 
        67 1  4 DC H3'  1  5 DT H6   3.480 2.780 4.180  3.861  3.571  4.531  0.351 7 0 "[    .   ]" 1 
        68 1  4 DC H4'  1  5 DT H6   4.020 3.220 4.820  5.366  4.922  5.689  0.869 4 5 "[***+. - ]" 1 
        69 1  4 DC H4'  1  5 DT M7   3.750 3.000 4.500  5.087  4.770  5.414  0.914 4 5 "[**-+. * ]" 1 
        70 1  4 DC H3'  1  5 DT M7   3.610 2.890 4.330  2.871  2.504  3.271  0.386 6 0 "[    .   ]" 1 
        71 1  5 DT H3'  1  5 DT M7   4.620 3.700 5.540  5.723  5.514  5.997  0.457 7 0 "[    .   ]" 1 
        72 1  5 DT H1'  1  5 DT H3'  3.040 2.430 3.650  3.594  3.441  3.705  0.055 1 0 "[    .   ]" 1 
        73 1  5 DT Q2'  1  5 DT H4'  2.820 2.260 3.380  3.360  3.328  3.382  0.002 3 0 "[    .   ]" 1 
        74 1  5 DT H3'  1  5 DT H6   2.960 2.370 3.550  4.260  4.033  4.505  0.955 7 7 "[ **-**+*]" 1 
        75 1  5 DT H4'  1  5 DT H6   3.460 2.770 4.150  4.569  4.426  4.868  0.718 7 3 "[    -*+ ]" 1 
        76 1  5 DT H1'  1  5 DT H4'  2.300     . 2.760  2.713  2.561  2.902  0.142 7 0 "[    .   ]" 1 
        77 1  5 DT H3'  1  5 DT H4'  2.460     . 2.950  2.750  2.645  2.866      . 0 0 "[    .   ]" 1 
        78 1  5 DT Q2'  1  5 DT M7   3.180 2.860 3.820  3.760  3.673  3.820      . 0 0 "[    .   ]" 1 
        79 1  5 DT H1'  1  5 DT Q2'  2.100     . 2.520  2.272  2.211  2.311      . 0 0 "[    .   ]" 1 
        80 1  5 DT H1'  1  5 DT H6   2.900 2.320 3.480  3.693  3.665  3.727  0.247 6 0 "[    .   ]" 1 
        81 1  5 DT Q5'  1  5 DT H6   3.240 2.590 3.890  3.673  3.454  4.124  0.234 7 0 "[    .   ]" 1 
        82 1  5 DT Q5'  1  5 DT M7   3.480 2.780 4.180  4.736  4.569  5.029  0.849 7 4 "[   -**+ ]" 1 
        83 1  5 DT Q2'  1  5 DT H3'  2.300     . 2.760  2.224  2.192  2.266      . 0 0 "[    .   ]" 1 
        84 1  5 DT H6   1  5 DT M7   2.890 2.310 3.470  2.258  2.219  2.285  0.091 5 0 "[    .   ]" 1 
        85 1  5 DT Q2'  1  5 DT H6   2.280     . 2.740  2.238  2.131  2.320      . 0 0 "[    .   ]" 1 
        86 1  5 DT H4'  1  6 DT H6   3.720 2.980 4.460  4.741  4.586  5.020  0.560 6 1 "[    .+  ]" 1 
        87 1  5 DT H1'  1  6 DT H3'  3.750 3.000 4.500  4.833  4.270  5.849  1.349 6 2 "[   -.+  ]" 1 
        88 1  5 DT Q2'  1  6 DT H3'  3.210 2.570 3.850  4.446  4.068  5.002  1.152 8 6 "[  **-**+]" 1 
        89 1  5 DT H1'  1  6 DT M7   4.120 3.300 4.940  5.115  4.784  5.449  0.509 6 1 "[    .+  ]" 1 
        90 1  5 DT H3'  1  6 DT M7   3.770 3.020 4.520  2.592  2.057  3.333  0.963 1 5 "[+ - *** ]" 1 
        91 1  5 DT H4'  1  6 DT M7   3.620 2.900 4.340  4.306  4.045  4.895  0.555 8 1 "[    .  +]" 1 
        92 1  5 DT Q2'  1  7 DT M7   3.850 3.080 4.620  4.231  3.757  4.709  0.089 7 0 "[    .   ]" 1 
        93 1  5 DT H1'  1  7 DT M7   4.390 3.510 5.270  5.777  4.753  6.449  1.179 4 5 "[* *+*-  ]" 1 
        94 1  5 DT H6   1  7 DT M7   4.480 3.580 5.380  5.740  4.960  6.209  0.829 3 4 "[* +*-   ]" 1 
        95 1  6 DT H1'  1  6 DT Q2'  2.190     . 2.630  2.258  2.197  2.344      . 0 0 "[    .   ]" 1 
        96 1  6 DT Q2'  1  6 DT H6   2.200     . 2.640  2.620  2.544  2.726  0.086 2 0 "[    .   ]" 1 
        97 1  6 DT H6   1  6 DT M7   2.750 2.200 3.300  2.336  2.244  2.412      . 0 0 "[    .   ]" 1 
        98 1  6 DT H4'  1  6 DT H6   3.300 2.640 3.960  4.430  4.173  4.652  0.692 1 3 "[+*  -   ]" 1 
        99 1  6 DT Q5'  1  6 DT H6   3.380 2.700 4.060  4.102  3.418  4.537  0.477 5 0 "[    .   ]" 1 
       100 1  6 DT H1'  1  6 DT H6   2.870 2.300 3.440  3.605  3.496  3.677  0.237 1 0 "[    .   ]" 1 
       101 1  6 DT H3'  1  6 DT H6   3.190 2.550 3.830  3.372  3.008  4.450  0.620 6 1 "[    .+  ]" 1 
       102 1  6 DT Q2'  1  6 DT H3'  2.210     . 2.650  2.336  2.235  2.465      . 0 0 "[    .   ]" 1 
       103 1  6 DT H1'  1  6 DT M7   4.060 3.250 4.870  5.058  4.837  5.119  0.249 7 0 "[    .   ]" 1 
       104 1  6 DT H1'  1  6 DT H3'  3.330 2.660 4.000  3.907  3.559  3.997      . 0 0 "[    .   ]" 1 
       105 1  6 DT H3'  1  6 DT H4'  2.460     . 2.950  2.909  2.802  2.968  0.018 7 0 "[    .   ]" 1 
       106 1  6 DT H1'  1  6 DT H4'  2.710 2.170 3.250  2.881  2.800  2.973      . 0 0 "[    .   ]" 1 
       107 1  6 DT Q2'  1  7 DT H6   3.290 2.630 3.950  4.319  3.864  4.569  0.619 2 2 "[ + -.   ]" 1 
       108 1  6 DT H1'  1  7 DT H6   4.000 3.200 4.800  4.205  3.730  4.968  0.168 7 0 "[    .   ]" 1 
       109 1  6 DT Q2'  1  7 DT M7   3.980 3.180 4.780  3.257  2.454  4.050  0.726 7 2 "[   -. + ]" 1 
       110 1  6 DT H4'  1  7 DT M7   4.130 3.300 4.960  4.061  3.771  4.746      . 0 0 "[    .   ]" 1 
       111 1  6 DT H3'  1  7 DT M7   3.940 3.150 4.730  5.355  4.726  5.933  1.203 2 4 "[-+* *   ]" 1 
       112 1  6 DT H1'  1  7 DT Q5'  3.710 2.970 4.450  4.483  3.949  4.947  0.497 3 0 "[    .   ]" 1 
       113 1  6 DT H6   1  7 DT M7   4.820 3.860 5.780  5.589  5.215  5.872  0.092 5 0 "[    .   ]" 1 
       114 1  6 DT H4'  1  7 DT H6   4.070 3.260 4.880  4.065  3.586  4.619      . 0 0 "[    .   ]" 1 
       115 1  7 DT H4'  1  7 DT M7   4.650 3.720 5.580  6.029  5.856  6.174  0.594 1 3 "[+ * . - ]" 1 
       116 1  7 DT H1'  1  7 DT Q2'  2.550 2.040 2.680  2.391  2.323  2.441      . 0 0 "[    .   ]" 1 
       117 1  7 DT H1'  1  7 DT M7   5.120 4.100 6.140  5.012  4.908  5.078      . 0 0 "[    .   ]" 1 
       118 1  7 DT Q2'  1  7 DT M7   3.260 2.930 3.910  3.884  3.702  4.068  0.158 4 0 "[    .   ]" 1 
       119 1  7 DT H1'  1  7 DT H6   3.070 2.460 3.680  3.690  3.556  3.775  0.095 1 0 "[    .   ]" 1 
       120 1  7 DT Q2'  1  7 DT H4'  3.010 2.410 3.490  3.219  2.996  3.399      . 0 0 "[    .   ]" 1 
       121 1  7 DT H1'  1  7 DT H3'  3.250 2.600 3.900  4.041  3.989  4.102  0.202 1 0 "[    .   ]" 1 
       122 1  7 DT Q5'  1  7 DT H6   3.220 2.580 3.860  3.509  3.236  3.632      . 0 0 "[    .   ]" 1 
       123 1  7 DT H1'  1  7 DT H4'  3.120 2.500 3.740  3.388  3.089  3.944  0.204 7 0 "[    .   ]" 1 
       124 1  7 DT H4'  1  7 DT H6   3.580 2.860 4.300  4.719  4.343  4.999  0.699 7 3 "[*  -. + ]" 1 
       125 1  7 DT H6   1  7 DT M7   2.720 2.180 3.260  2.221  2.113  2.271  0.067 7 0 "[    .   ]" 1 
       126 1  7 DT H1'  1  7 DT Q5'  3.960 3.170 4.750  4.241  3.904  4.455      . 0 0 "[    .   ]" 1 
       127 1  7 DT Q2'  1  7 DT H6   2.400     . 2.830  2.368  2.196  2.477      . 0 0 "[    .   ]" 1 
       128 1  7 DT H3'  1  7 DT H4'  2.500     . 3.000  2.911  2.815  2.994      . 0 0 "[    .   ]" 1 
       129 1  7 DT H3'  1  7 DT M7   4.600 3.680 5.520  4.581  4.112  5.105      . 0 0 "[    .   ]" 1 
       130 1  7 DT H3'  1  7 DT H6   2.800 2.240 3.360  3.127  2.764  3.653  0.293 6 0 "[    .   ]" 1 
       131 1  7 DT Q2'  1  7 DT H3'  2.170     . 2.600  2.199  2.085  2.328      . 0 0 "[    .   ]" 1 
       132 1  7 DT H3'  1  8 DT M7   4.670 3.740 5.600  5.227  4.723  5.974  0.374 7 0 "[    .   ]" 1 
       133 1  7 DT H4'  1  8 DT M7   5.250 4.200 6.300  5.072  4.395  5.844      . 0 0 "[    .   ]" 1 
       134 1  7 DT H1'  1  8 DT H6   4.240 3.390 5.090  4.609  4.269  5.282  0.192 8 0 "[    .   ]" 1 
       135 1  7 DT H1'  1  8 DT M7   4.190 3.350 5.030  3.902  3.325  4.347  0.025 4 0 "[    .   ]" 1 
       136 1  7 DT Q2'  1  8 DT H6   3.250 2.820 3.900  3.688  3.472  3.794      . 0 0 "[    .   ]" 1 
       137 1  7 DT H4'  1  8 DT H6   4.270 3.420 5.120  4.628  3.924  5.544  0.424 6 0 "[    .   ]" 1 
       138 1  7 DT H6   1  8 DT M7   4.930 3.940 5.920  6.010  5.595  6.144  0.224 7 0 "[    .   ]" 1 
       139 1  8 DT H1'  1  8 DT M7   5.480 4.380 6.580  4.870  4.647  4.984      . 0 0 "[    .   ]" 1 
       140 1  8 DT H1'  1  8 DT H3'  3.280 2.620 3.940  3.586  3.498  3.835      . 0 0 "[    .   ]" 1 
       141 1  8 DT H1'  1  8 DT Q5'  4.210 3.370 5.050  4.273  4.153  4.367      . 0 0 "[    .   ]" 1 
       142 1  8 DT H1'  1  8 DT H4'  2.890 2.310 3.470  3.256  2.946  3.541  0.071 5 0 "[    .   ]" 1 
       143 1  8 DT H1'  1  8 DT H6   3.020 2.420 3.620  3.298  3.027  3.452      . 0 0 "[    .   ]" 1 
       144 1  8 DT H6   1  8 DT M7   2.920 2.340 3.500  2.309  2.213  2.361  0.127 7 0 "[    .   ]" 1 
       145 1  8 DT Q5'  1  8 DT H6   3.270 2.620 3.920  3.925  3.496  4.326  0.406 1 0 "[    .   ]" 1 
       146 1  8 DT H1'  1  8 DT Q2'  2.610 2.090 2.800  2.325  2.280  2.365      . 0 0 "[    .   ]" 1 
       147 1  8 DT H4'  1  8 DT H6   3.550 2.840 4.260  4.248  4.113  4.403  0.143 7 0 "[    .   ]" 1 
       148 1  8 DT Q2'  1  8 DT H3'  2.420     . 2.740  2.303  2.211  2.345      . 0 0 "[    .   ]" 1 
       149 1  8 DT H3'  1  8 DT H4'  2.390     . 2.870  2.759  2.661  3.004  0.134 5 0 "[    .   ]" 1 
       150 1  8 DT Q2'  1  8 DT H4'  3.060 2.450 3.670  3.304  2.601  3.452      . 0 0 "[    .   ]" 1 
       151 1  8 DT H1'  1  9 DG Q5'  3.620 2.900 4.340  4.825  4.755  4.920  0.580 8 3 "[*   . -+]" 1 
       152 1  8 DT H3'  1  9 DG H8   4.300 3.440 5.160  4.704  4.361  5.499  0.339 5 0 "[    .   ]" 1 
       153 1  8 DT H4'  1  9 DG H8   3.010 2.410 3.610  3.513  3.203  3.758  0.148 2 0 "[    .   ]" 1 
       154 1  8 DT H6   1  9 DG H8   5.280 4.220 6.340  6.238  5.691  6.512  0.172 8 0 "[    .   ]" 1 
       155 1  8 DT H3'  1 12 DC H5   3.770 3.020 4.520 16.634 15.953 18.146 13.626 7 8  [**-***+*]  1 
       156 1  8 DT Q2'  1 12 DC H5   3.020 2.770 3.620 15.098 13.900 15.886 12.266 8 8  [****-**+]  1 
       157 1  8 DT M7   1 12 DC H1'  5.570 4.460 6.680 15.294 14.485 15.758  9.078 7 8  [**-***+*]  1 
       158 1  8 DT H6   1 12 DC H5   4.040 3.230 4.850 15.617 14.768 16.252 11.402 8 8  [****-**+]  1 
       159 1  9 DG H3'  1  9 DG Q5'  2.150     . 2.580  2.606  2.448  2.657  0.077 3 0 "[    .   ]" 1 
       160 1  9 DG Q5'  1  9 DG H8   3.040 2.430 3.650  3.609  3.501  3.758  0.108 4 0 "[    .   ]" 1 
       161 1  9 DG H2'' 1  9 DG H3'  2.380     . 2.860  2.749  2.739  2.764      . 0 0 "[    .   ]" 1 
       162 1  9 DG H1'  1  9 DG H3'  3.090 2.470 3.710  3.806  3.766  3.838  0.128 5 0 "[    .   ]" 1 
       163 1  9 DG H4'  1  9 DG H8   4.100 3.280 4.920  4.767  4.666  4.892      . 0 0 "[    .   ]" 1 
       164 1  9 DG H1'  1  9 DG H4'  2.810 2.250 3.370  3.361  3.093  3.496  0.126 8 0 "[    .   ]" 1 
       165 1  9 DG H2'  1  9 DG H4'  2.830 2.260 3.400  3.631  3.593  3.752  0.352 5 0 "[    .   ]" 1 
       166 1  9 DG H1'  1  9 DG H2'  2.460     . 2.950  3.139  3.111  3.180  0.230 7 0 "[    .   ]" 1 
       167 1  9 DG H1'  1  9 DG H8   3.350 2.680 4.020  3.886  3.840  3.933      . 0 0 "[    .   ]" 1 
       168 1  9 DG H2'  1  9 DG H8   2.260     . 2.710  2.373  2.312  2.409      . 0 0 "[    .   ]" 1 
       169 1  9 DG H2'' 1  9 DG H8   2.660 2.130 3.190  3.626  3.537  3.721  0.531 2 1 "[ +  .   ]" 1 
       170 1  9 DG H2'  1  9 DG Q5'  2.980 2.380 3.580  3.197  3.054  3.260      . 0 0 "[    .   ]" 1 
       171 1  9 DG H1'  1  9 DG H2'' 2.370     . 2.840  2.525  2.513  2.545      . 0 0 "[    .   ]" 1 
       172 1  9 DG H1'  1 10 DG H4'  3.230 2.580 3.880  4.138  3.934  4.391  0.511 4 1 "[   +.   ]" 1 
       173 1  9 DG H8   1 12 DC H5   3.260 2.610 3.910 12.206 11.832 12.750  8.840 7 8  [***-**+*]  1 
       174 1  9 DG H8   1 12 DC H6   4.490 3.590 5.390 13.736 13.330 14.212  8.822 8 8  [****-**+]  1 
       175 1 10 DG H2'' 1 10 DG H8   3.220 2.580 3.860  3.924  3.744  4.096  0.236 4 0 "[    .   ]" 1 
       176 1 10 DG H1'  1 10 DG H2'' 2.250     . 2.700  2.436  2.414  2.459      . 0 0 "[    .   ]" 1 
       177 1 10 DG H1'  1 10 DG H2'  2.440     . 2.930  3.066  3.053  3.095  0.165 8 0 "[    .   ]" 1 
       178 1 10 DG H1'  1 10 DG H8   2.170     . 2.600  2.577  2.550  2.599      . 0 0 "[    .   ]" 1 
       179 1 10 DG H2'  1 10 DG H4'  3.100 2.480 3.720  3.626  3.590  3.667      . 0 0 "[    .   ]" 1 
       180 1 10 DG H3'  1 10 DG H8   4.450 3.560 5.340  5.928  5.842  6.004  0.664 4 8  [**-+****]  1 
       181 1 10 DG H2'  1 10 DG H8   3.750 3.000 4.500  4.577  4.481  4.650  0.150 2 0 "[    .   ]" 1 
       182 1 10 DG H2'' 1 10 DG H4'  3.030 2.420 3.640  4.121  4.069  4.172  0.532 3 2 "[  + . - ]" 1 
       183 1 10 DG H8   1 11 DG Q2'  4.400 3.520 5.090  4.799  4.689  4.929      . 0 0 "[    .   ]" 1 
       184 1 10 DG H8   1 11 DG H4'  3.350 2.680 4.020  3.826  3.679  4.203  0.183 8 0 "[    .   ]" 1 
       185 1 10 DG H2'' 1 11 DG H8   2.330     . 2.800  2.524  2.309  2.678      . 0 0 "[    .   ]" 1 
       186 1 10 DG H2'  1 11 DG H8   2.740 2.190 3.290  3.379  2.981  3.529  0.239 2 0 "[    .   ]" 1 
       187 1 10 DG H8   1 11 DG H8   4.180 3.340 5.020  4.347  4.247  4.521      . 0 0 "[    .   ]" 1 
       188 1 11 DG H4'  1 11 DG H8   3.920 3.140 4.700  4.913  4.774  5.090  0.390 3 0 "[    .   ]" 1 
       189 1 11 DG Q2'  1 11 DG H3'  2.180     . 2.620  2.273  2.148  2.307      . 0 0 "[    .   ]" 1 
       190 1 11 DG H1'  1 11 DG H8   3.020 2.420 3.620  3.867  3.836  3.929  0.309 3 0 "[    .   ]" 1 
       191 1 11 DG Q2'  1 11 DG H4'  3.020 2.510 3.620  3.404  3.326  3.441      . 0 0 "[    .   ]" 1 
       192 1 11 DG Q2'  1 11 DG H8   2.190     . 2.630  2.418  2.213  2.559      . 0 0 "[    .   ]" 1 
       193 1 11 DG H1'  1 11 DG Q2'  2.330     . 2.680  2.310  2.251  2.375      . 0 0 "[    .   ]" 1 
       194 1 11 DG H1'  1 12 DC H6   2.750 2.200 3.300  3.352  3.011  3.611  0.311 5 0 "[    .   ]" 1 
       195 1 11 DG Q2'  1 12 DC H6   2.870 2.300 3.140  2.522  2.413  2.622      . 0 0 "[    .   ]" 1 
       196 1 11 DG Q2'  1 12 DC H5   3.070 2.460 3.480  3.448  3.307  3.519  0.039 4 0 "[    .   ]" 1 
       197 1 11 DG H8   1 12 DC H6   3.990 3.190 4.790  4.951  4.585  5.223  0.433 4 0 "[    .   ]" 1 
       198 1 11 DG H3'  1 12 DC H6   3.620 2.900 4.340  5.021  4.863  5.314  0.974 3 8  [**+*-***]  1 
       199 1 11 DG H8   1 12 DC H5   3.590 2.870 4.310  4.115  3.725  4.446  0.136 4 0 "[    .   ]" 1 
       200 1 12 DC H2'  1 12 DC H6   2.230     . 2.680  2.506  2.392  2.626      . 0 0 "[    .   ]" 1 
       201 1 12 DC H2'' 1 12 DC H3'  2.510 2.010 3.010  3.023  2.961  3.066  0.056 4 0 "[    .   ]" 1 
       202 1 12 DC H1'  1 12 DC H6   3.420 2.740 4.100  3.804  3.748  3.838      . 0 0 "[    .   ]" 1 
       203 1 12 DC H2'  1 12 DC H5   3.510 2.810 4.210  4.570  4.438  4.615  0.405 5 0 "[    .   ]" 1 
       204 1 12 DC H1'  1 12 DC Q5'  3.630 2.900 4.360  4.062  4.012  4.196      . 0 0 "[    .   ]" 1 
       205 1 12 DC H1'  1 12 DC H4'  2.750 2.200 3.300  3.125  2.890  3.298      . 0 0 "[    .   ]" 1 
       206 1 12 DC H1'  1 12 DC H2'' 2.300     . 2.760  2.496  2.480  2.517      . 0 0 "[    .   ]" 1 
       207 1 12 DC H1'  1 12 DC H2'  2.640 2.110 3.170  2.966  2.930  3.051      . 0 0 "[    .   ]" 1 
       208 1 12 DC H3'  1 12 DC H4'  2.320     . 2.780  2.942  2.891  2.960  0.180 2 0 "[    .   ]" 1 
       209 1 12 DC H3'  1 12 DC H6   3.160 2.530 3.790  2.981  2.835  3.370      . 0 0 "[    .   ]" 1 
       210 1 12 DC H2'' 1 12 DC H4'  2.490     . 2.990  2.775  2.596  3.147  0.157 3 0 "[    .   ]" 1 
       211 1 12 DC Q5'  1 12 DC H6   3.180 2.540 3.820  4.060  3.864  4.295  0.475 4 0 "[    .   ]" 1 
       212 1 12 DC H1'  1 12 DC H3'  3.490 2.790 4.190  3.929  3.816  4.054      . 0 0 "[    .   ]" 1 
       213 1  3 DG H1   1  9 DG H1   3.000 2.400 3.600  3.648  3.615  3.686  0.086 2 0 "[    .   ]" 1 
       214 1  1 DG H1   1 11 DG H1   3.000 2.400 3.600  3.583  3.506  3.647  0.047 5 0 "[    .   ]" 1 
       215 1  2 DG H1   1 11 DG H1   4.000 3.200 4.800  4.330  4.303  4.377      . 0 0 "[    .   ]" 1 
       216 1  2 DG H1   1  3 DG H1   4.000 3.200 4.800  5.840  5.340  6.228  1.428 5 8  [****+**-]  1 
       217 1  9 DG H1   1 10 DG H8   4.000 3.200 4.800  4.777  4.666  4.908  0.108 8 0 "[    .   ]" 1 
       218 1  5 DT H1'  1  9 DG H1   5.000 4.000 6.000  5.861  5.334  6.054  0.054 3 0 "[    .   ]" 1 
       219 1  4 DC H5   1  9 DG H1   5.000 4.000 6.000  5.220  5.120  5.298      . 0 0 "[    .   ]" 1 
       220 1  1 DG H1   1  2 DG H8   4.000 3.200 4.800  4.675  4.447  4.820  0.020 3 0 "[    .   ]" 1 
       221 1  1 DG H1   1  8 DT H6   4.000 3.200 4.800 15.184 14.403 16.272 11.472 7 8  [**-***+*]  1 
       222 1  1 DG H1   1 12 DC H1'  5.000 4.000 6.000  4.782  4.678  4.890      . 0 0 "[    .   ]" 1 
       223 1  1 DG H1   1 12 DC H5   5.000 4.000 6.000  5.106  5.032  5.188      . 0 0 "[    .   ]" 1 
       224 1  1 DG H1   1  8 DT M7   4.000 3.200 4.800 13.039 12.462 13.880  9.080 7 8  [**-***+*]  1 
       225 1 11 DG H1   1 12 DC Q4   4.000 3.200 4.800  3.115  2.999  3.353  0.201 4 0 "[    .   ]" 1 
       226 1  2 DG H8   1 11 DG H1   5.000 4.000 6.000  5.135  4.881  5.338      . 0 0 "[    .   ]" 1 
       227 1  3 DG H1   1 10 DG H8   5.000 4.000 6.000  4.989  4.832  5.268      . 0 0 "[    .   ]" 1 
       228 1  3 DG H1   1  4 DC Q4   4.000 3.200 4.800  3.398  3.219  3.674      . 0 0 "[    .   ]" 1 
       229 1 10 DG H1   1 11 DG H8   5.000 4.000 6.000  6.347  5.872  7.433  1.433 8 2 "[    . -+]" 1 
       230 1  9 DG H8   1 10 DG H1   4.000 3.200 4.800  4.674  4.488  4.864  0.064 2 0 "[    .   ]" 1 
       231 1  2 DG H1   1  3 DG H8   5.000 4.000 6.000  5.960  5.654  6.218  0.218 3 0 "[    .   ]" 1 
       232 1  1 DG H8   1  2 DG H1   5.000 4.000 6.000  4.583  4.396  4.775      . 0 0 "[    .   ]" 1 
       233 1  9 DG H1'  1 10 DG H1   5.000 4.000 6.000  5.789  5.503  6.024  0.024 5 0 "[    .   ]" 1 
       234 1  1 DG H3'  1  2 DG H1   5.000 4.000 6.000  6.250  6.187  6.327  0.327 8 0 "[    .   ]" 1 
       235 1  9 DG H2'' 1 10 DG H1   5.000 4.000 6.000  5.629  5.378  5.954      . 0 0 "[    .   ]" 1 
       236 1  1 DG H2'' 1  2 DG H1   5.000 4.000 6.000  5.028  4.710  5.393      . 0 0 "[    .   ]" 1 
       237 1  9 DG H8   1 12 DC Q4   5.000 4.000 6.000 10.213  9.829 10.875  4.875 7 8  [***-**+*]  1 
       238 1  1 DG H8   1  4 DC Q4   5.000 4.000 6.000 10.312  9.917 10.497  4.497 3 8  [**+****-]  1 
       239 1  8 DT H1'  1 12 DC Q4   5.000 4.000 6.000 11.980 11.444 12.570  6.570 8 8  [****-**+]  1 
       240 1  8 DT M7   1 12 DC Q4   5.000 4.000 6.000 11.295 11.007 11.873  5.873 7 8  [**-***+*]  1 
       241 1  4 DC Q4   1  4 DC H6   5.000 4.000 6.000  4.526  4.476  4.549      . 0 0 "[    .   ]" 1 
       242 2  1 DG H4'  2  1 DG H8   3.580 2.860 4.300  4.684  4.573  4.767  0.467 1 0 "[    .   ]" 1 
       243 2  1 DG H1'  2  1 DG H4'  2.370     . 2.840  2.529  2.517  2.551      . 0 0 "[    .   ]" 1 
       244 2  1 DG H1'  2  1 DG H2'' 2.320     . 2.780  2.429  2.382  2.454      . 0 0 "[    .   ]" 1 
       245 2  1 DG H1'  2  1 DG H2'  2.440     . 2.930  2.973  2.940  2.993  0.063 4 0 "[    .   ]" 1 
       246 2  1 DG H3'  2  1 DG H4'  2.180     . 2.620  2.865  2.813  2.893  0.273 2 0 "[    .   ]" 1 
       247 2  1 DG H3'  2  1 DG H8   3.030 2.420 3.640  3.422  3.294  3.621      . 0 0 "[    .   ]" 1 
       248 2  1 DG H1'  2  1 DG H3'  3.130 2.500 3.760  3.833  3.802  3.867  0.107 4 0 "[    .   ]" 1 
       249 2  1 DG H2'' 2  1 DG H3'  2.440     . 2.930  3.010  2.950  3.058  0.128 1 0 "[    .   ]" 1 
       250 2  1 DG H2'  2  1 DG H3'  2.140     . 2.570  2.229  2.209  2.246      . 0 0 "[    .   ]" 1 
       251 2  1 DG H2'  2  1 DG H8   2.370     . 2.840  2.683  2.573  2.793      . 0 0 "[    .   ]" 1 
       252 2  1 DG H2'' 2  1 DG H4'  2.630 2.100 3.160  3.173  3.069  3.308  0.148 4 0 "[    .   ]" 1 
       253 2  1 DG Q5'  2  1 DG H8   3.460 2.770 4.150  4.106  3.858  4.471  0.321 5 0 "[    .   ]" 1 
       254 2  1 DG H1'  2  1 DG H8   3.240 2.590 3.890  3.861  3.830  3.906  0.016 2 0 "[    .   ]" 1 
       255 2  1 DG H2'' 2  2 DG H4'  3.620 2.900 4.340  4.295  4.054  4.485  0.145 3 0 "[    .   ]" 1 
       256 2  1 DG H1'  2  2 DG H4'  3.210 2.570 3.850  4.307  4.008  4.689  0.839 5 4 "[*   + *-]" 1 
       257 2  1 DG H1'  2  2 DG H3'  3.600 2.880 4.320  5.166  4.567  5.659  1.339 2 6 "[ +**.*-*]" 1 
       258 2  1 DG H8   2  4 DC H5   3.230 2.580 3.880 11.751 11.289 12.054  8.174 3 8  [**+****-]  1 
       259 2  1 DG H8   2  5 DT M7   6.000 4.800 7.200 13.890 13.323 14.232  7.032 6 8  [*-***+**]  1 
       260 2  1 DG H1'  2  8 DT M7   5.360 4.290 6.430 13.647 12.975 14.568  8.138 7 8  [**-***+*]  1 
       261 2  1 DG H8   2  8 DT M7   6.000 4.800 7.200 12.514 12.090 13.081  5.881 7 8  [**-***+*]  1 
       262 2  2 DG H2'' 2  2 DG H4'  3.080 2.460 3.700  3.821  3.509  4.098  0.398 2 0 "[    .   ]" 1 
       263 2  2 DG H1'  2  2 DG H8   2.210     . 2.650  2.598  2.549  2.657  0.007 3 0 "[    .   ]" 1 
       264 2  2 DG H2'  2  2 DG H4'  3.180 2.540 3.820  3.738  3.644  3.815      . 0 0 "[    .   ]" 1 
       265 2  2 DG H1'  2  2 DG H2'  2.480     . 2.980  3.058  3.043  3.086  0.106 6 0 "[    .   ]" 1 
       266 2  2 DG H2'' 2  2 DG H8   3.190 2.550 3.830  4.059  3.877  4.187  0.357 5 0 "[    .   ]" 1 
       267 2  2 DG H1'  2  2 DG H2'' 2.240     . 2.690  2.434  2.390  2.481      . 0 0 "[    .   ]" 1 
       268 2  2 DG H3'  2  2 DG H8   4.550 3.640 5.460  5.956  5.844  6.028  0.568 3 4 "[  + .**-]" 1 
       269 2  2 DG H2'  2  2 DG H8   3.770 3.020 4.520  4.635  4.587  4.699  0.179 7 0 "[    .   ]" 1 
       270 2  2 DG H8   2  3 DG H3'  4.400 3.520 5.280  5.608  5.510  5.704  0.424 5 0 "[    .   ]" 1 
       271 2  2 DG H8   2  3 DG Q2'  4.020 3.520 4.820  4.635  4.492  4.757      . 0 0 "[    .   ]" 1 
       272 2  2 DG H8   2  3 DG H1'  3.030 2.420 3.640  3.694  3.535  3.823  0.183 6 0 "[    .   ]" 1 
       273 2  2 DG H1'  2  3 DG H8   3.260 2.610 3.910  4.246  4.040  4.419  0.509 2 1 "[ +  .   ]" 1 
       274 2  2 DG H3'  2  3 DG H8   3.460 2.770 4.150  4.940  4.828  5.041  0.891 4 8  [-**+****]  1 
       275 2  2 DG H8   2  3 DG H4'  3.390 2.710 4.070  3.656  3.551  3.773      . 0 0 "[    .   ]" 1 
       276 2  2 DG H2'  2  3 DG H8   2.710 2.170 3.250  3.272  3.096  3.581  0.331 7 0 "[    .   ]" 1 
       277 2  2 DG H2'' 2  3 DG H8   2.420     . 2.900  2.557  2.492  2.628      . 0 0 "[    .   ]" 1 
       278 2  2 DG H8   2  3 DG H8   4.130 3.300 4.960  4.391  4.301  4.486      . 0 0 "[    .   ]" 1 
       279 2  3 DG H3'  2  3 DG H4'  2.360     . 2.830  2.760  2.636  2.856  0.026 2 0 "[    .   ]" 1 
       280 2  3 DG H4'  2  3 DG H8   4.150 3.320 4.980  5.083  4.863  5.227  0.247 6 0 "[    .   ]" 1 
       281 2  3 DG H3'  2  3 DG H8   3.290 2.630 3.950  4.662  4.372  4.907  0.957 6 7 "[- ***+**]" 1 
       282 2  3 DG Q2'  2  3 DG H3'  2.200     . 2.640  2.225  2.122  2.283      . 0 0 "[    .   ]" 1 
       283 2  3 DG Q2'  2  3 DG H4'  3.030 2.420 3.640  3.390  3.346  3.423      . 0 0 "[    .   ]" 1 
       284 2  3 DG Q2'  2  3 DG H8   2.290 2.040 2.750  2.435  2.374  2.490      . 0 0 "[    .   ]" 1 
       285 2  3 DG H1'  2  3 DG H3'  2.890 2.310 3.470  3.659  3.532  3.795  0.325 2 0 "[    .   ]" 1 
       286 2  3 DG H1'  2  3 DG H8   3.470 2.780 4.160  3.959  3.886  4.020      . 0 0 "[    .   ]" 1 
       287 2  3 DG H1'  2  3 DG Q2'  2.250 2.010 2.700  2.381  2.331  2.475      . 0 0 "[    .   ]" 1 
       288 2  3 DG H1'  2  3 DG H4'  2.580 2.060 3.100  2.826  2.698  3.004      . 0 0 "[    .   ]" 1 
       289 2  3 DG Q2'  2  4 DC H6   3.030 2.420 3.310  2.773  2.719  2.888      . 0 0 "[    .   ]" 1 
       290 2  3 DG H8   2  4 DC H6   4.180 3.340 5.020  4.984  4.884  5.327  0.307 2 0 "[    .   ]" 1 
       291 2  3 DG H1'  2  4 DC H6   2.960 2.370 3.550  3.603  3.487  3.933  0.383 7 0 "[    .   ]" 1 
       292 2  3 DG H3'  2  4 DC H6   3.930 3.140 4.720  5.447  5.294  5.666  0.946 2 8  [*+*****-]  1 
       293 2  3 DG H8   2  4 DC H5   3.770 3.020 4.520  4.280  4.096  4.640  0.120 2 0 "[    .   ]" 1 
       294 2  3 DG Q2'  2  4 DC H5   3.380 2.700 3.560  3.722  3.562  3.849  0.289 7 0 "[    .   ]" 1 
       295 2  4 DC H4'  2  4 DC H6   3.740 2.990 4.490  4.516  4.407  4.628  0.138 7 0 "[    .   ]" 1 
       296 2  4 DC Q5'  2  4 DC H6   3.310 2.650 3.970  3.866  3.540  4.330  0.360 2 0 "[    .   ]" 1 
       297 2  4 DC Q2'  2  4 DC H4'  2.510 2.310 3.010  2.594  2.517  2.856      . 0 0 "[    .   ]" 1 
       298 2  4 DC H1'  2  4 DC Q2'  2.080     . 2.500  2.252  2.208  2.276      . 0 0 "[    .   ]" 1 
       299 2  4 DC Q2'  2  4 DC H3'  2.430     . 2.810  2.348  2.323  2.370      . 0 0 "[    .   ]" 1 
       300 2  4 DC Q2'  2  4 DC H5       . 3.670 4.420  4.411  4.331  4.482  0.062 1 0 "[    .   ]" 1 
       301 2  4 DC H1'  2  4 DC H4'  2.700 2.160 3.240  2.966  2.850  3.100      . 0 0 "[    .   ]" 1 
       302 2  4 DC Q2'  2  4 DC H6   2.350     . 2.820  2.805  2.654  2.904  0.084 6 0 "[    .   ]" 1 
       303 2  4 DC H3'  2  4 DC H4'  2.550 2.040 3.060  3.018  2.939  3.078  0.018 8 0 "[    .   ]" 1 
       304 2  4 DC H1'  2  4 DC H3'  3.280 2.620 3.940  3.788  3.718  3.959  0.019 4 0 "[    .   ]" 1 
       305 2  4 DC H1'  2  4 DC H6   3.280 2.620 3.940  3.729  3.652  3.799      . 0 0 "[    .   ]" 1 
       306 2  4 DC Q2'  2  5 DT M7   3.580 2.860 4.300  3.239  2.600  3.997  0.260 7 0 "[    .   ]" 1 
       307 2  4 DC H6   2  5 DT M7   3.720 2.980 4.460  3.715  3.206  3.950      . 0 0 "[    .   ]" 1 
       308 2  4 DC H3'  2  5 DT H6   3.480 2.780 4.180  3.863  3.570  4.533  0.353 7 0 "[    .   ]" 1 
       309 2  4 DC H4'  2  5 DT H6   4.020 3.220 4.820  5.367  4.932  5.688  0.868 4 5 "[***+. - ]" 1 
       310 2  4 DC H4'  2  5 DT M7   3.750 3.000 4.500  5.092  4.758  5.432  0.932 4 5 "[**-+. * ]" 1 
       311 2  4 DC H3'  2  5 DT M7   3.610 2.890 4.330  2.894  2.496  3.272  0.394 6 0 "[    .   ]" 1 
       312 2  5 DT H3'  2  5 DT M7   4.620 3.700 5.540  5.726  5.543  5.995  0.455 7 0 "[    .   ]" 1 
       313 2  5 DT H1'  2  5 DT H3'  3.040 2.430 3.650  3.594  3.451  3.712  0.062 1 0 "[    .   ]" 1 
       314 2  5 DT Q2'  2  5 DT H4'  2.820 2.260 3.380  3.360  3.310  3.385  0.005 3 0 "[    .   ]" 1 
       315 2  5 DT H3'  2  5 DT H6   2.960 2.370 3.550  4.261  4.062  4.503  0.953 7 8  [-*****+*]  1 
       316 2  5 DT H4'  2  5 DT H6   3.460 2.770 4.150  4.565  4.430  4.834  0.684 7 3 "[    -*+ ]" 1 
       317 2  5 DT H1'  2  5 DT H4'  2.300     . 2.760  2.701  2.564  2.913  0.153 6 0 "[    .   ]" 1 
       318 2  5 DT H3'  2  5 DT H4'  2.460     . 2.950  2.754  2.655  2.866      . 0 0 "[    .   ]" 1 
       319 2  5 DT Q2'  2  5 DT M7   3.180 2.860 3.820  3.761  3.676  3.824  0.004 3 0 "[    .   ]" 1 
       320 2  5 DT H1'  2  5 DT Q2'  2.100     . 2.520  2.273  2.184  2.333      . 0 0 "[    .   ]" 1 
       321 2  5 DT H1'  2  5 DT H6   2.900 2.320 3.480  3.696  3.662  3.743  0.263 5 0 "[    .   ]" 1 
       322 2  5 DT Q5'  2  5 DT H6   3.240 2.590 3.890  3.674  3.458  4.123  0.233 7 0 "[    .   ]" 1 
       323 2  5 DT Q5'  2  5 DT M7   3.480 2.780 4.180  4.739  4.579  5.027  0.847 7 4 "[   *-*+ ]" 1 
       324 2  5 DT Q2'  2  5 DT H3'  2.300     . 2.760  2.226  2.194  2.266      . 0 0 "[    .   ]" 1 
       325 2  5 DT H6   2  5 DT M7   2.890 2.310 3.470  2.264  2.216  2.285  0.094 5 0 "[    .   ]" 1 
       326 2  5 DT Q2'  2  5 DT H6   2.280     . 2.740  2.239  2.138  2.313      . 0 0 "[    .   ]" 1 
       327 2  5 DT H4'  2  6 DT H6   3.720 2.980 4.460  4.750  4.582  5.053  0.593 6 1 "[    .+  ]" 1 
       328 2  5 DT H1'  2  6 DT H3'  3.750 3.000 4.500  4.831  4.295  5.822  1.322 6 2 "[   -.+  ]" 1 
       329 2  5 DT Q2'  2  6 DT H3'  3.210 2.570 3.850  4.446  4.068  4.991  1.141 8 6 "[  **-**+]" 1 
       330 2  5 DT H1'  2  6 DT M7   4.120 3.300 4.940  5.126  4.810  5.442  0.502 6 1 "[    .+  ]" 1 
       331 2  5 DT H3'  2  6 DT M7   3.770 3.020 4.520  2.548  2.150  3.251  0.870 1 6 "[+*- *** ]" 1 
       332 2  5 DT H4'  2  6 DT M7   3.620 2.900 4.340  4.312  4.084  4.770  0.430 8 0 "[    .   ]" 1 
       333 2  5 DT Q2'  2  7 DT M7   3.850 3.080 4.620  4.223  3.771  4.765  0.145 7 0 "[    .   ]" 1 
       334 2  5 DT H1'  2  7 DT M7   4.390 3.510 5.270  5.779  4.711  6.459  1.189 4 4 "[* *+-   ]" 1 
       335 2  5 DT H6   2  7 DT M7   4.480 3.580 5.380  5.724  4.855  6.175  0.795 1 4 "[+ **-   ]" 1 
       336 2  6 DT H1'  2  6 DT Q2'  2.190     . 2.630  2.264  2.206  2.346      . 0 0 "[    .   ]" 1 
       337 2  6 DT Q2'  2  6 DT H6   2.200     . 2.640  2.581  2.516  2.628      . 0 0 "[    .   ]" 1 
       338 2  6 DT H6   2  6 DT M7   2.750 2.200 3.300  2.357  2.251  2.435      . 0 0 "[    .   ]" 1 
       339 2  6 DT H4'  2  6 DT H6   3.300 2.640 3.960  4.423  4.171  4.646  0.686 1 3 "[+-  *   ]" 1 
       340 2  6 DT Q5'  2  6 DT H6   3.380 2.700 4.060  4.097  3.410  4.531  0.471 5 0 "[    .   ]" 1 
       341 2  6 DT H1'  2  6 DT H6   2.870 2.300 3.440  3.600  3.497  3.672  0.232 1 0 "[    .   ]" 1 
       342 2  6 DT H3'  2  6 DT H6   3.190 2.550 3.830  3.371  3.004  4.446  0.616 6 1 "[    .+  ]" 1 
       343 2  6 DT Q2'  2  6 DT H3'  2.210     . 2.650  2.332  2.234  2.440      . 0 0 "[    .   ]" 1 
       344 2  6 DT H1'  2  6 DT M7   4.060 3.250 4.870  5.060  4.840  5.137  0.267 7 0 "[    .   ]" 1 
       345 2  6 DT H1'  2  6 DT H3'  3.330 2.660 4.000  3.910  3.558  4.004  0.004 2 0 "[    .   ]" 1 
       346 2  6 DT H3'  2  6 DT H4'  2.460     . 2.950  2.904  2.795  2.966  0.016 7 0 "[    .   ]" 1 
       347 2  6 DT H1'  2  6 DT H4'  2.710 2.170 3.250  2.881  2.803  2.965      . 0 0 "[    .   ]" 1 
       348 2  6 DT Q2'  2  7 DT H6   3.290 2.630 3.950  4.344  3.857  4.669  0.719 2 2 "[ + -.   ]" 1 
       349 2  6 DT H1'  2  7 DT H6   4.000 3.200 4.800  4.206  3.736  4.970  0.170 7 0 "[    .   ]" 1 
       350 2  6 DT Q2'  2  7 DT M7   3.980 3.180 4.780  3.271  2.457  4.101  0.723 7 2 "[   -. + ]" 1 
       351 2  6 DT H4'  2  7 DT M7   4.130 3.300 4.960  4.065  3.810  4.598      . 0 0 "[    .   ]" 1 
       352 2  6 DT H3'  2  7 DT M7   3.940 3.150 4.730  5.360  4.638  5.932  1.202 2 4 "[-+* *   ]" 1 
       353 2  6 DT H1'  2  7 DT Q5'  3.710 2.970 4.450  4.478  3.941  4.938  0.488 3 0 "[    .   ]" 1 
       354 2  6 DT H6   2  7 DT M7   4.820 3.860 5.780  5.594  5.216  5.875  0.095 5 0 "[    .   ]" 1 
       355 2  6 DT H4'  2  7 DT H6   4.070 3.260 4.880  4.069  3.593  4.620      . 0 0 "[    .   ]" 1 
       356 2  7 DT H4'  2  7 DT M7   4.650 3.720 5.580  6.033  5.877  6.214  0.634 1 3 "[+ * . - ]" 1 
       357 2  7 DT H1'  2  7 DT Q2'  2.550 2.040 2.680  2.374  2.302  2.471      . 0 0 "[    .   ]" 1 
       358 2  7 DT H1'  2  7 DT M7   5.120 4.100 6.140  5.008  4.873  5.086      . 0 0 "[    .   ]" 1 
       359 2  7 DT Q2'  2  7 DT M7   3.260 2.930 3.910  3.924  3.792  4.033  0.123 4 0 "[    .   ]" 1 
       360 2  7 DT H1'  2  7 DT H6   3.070 2.460 3.680  3.683  3.514  3.780  0.100 1 0 "[    .   ]" 1 
       361 2  7 DT Q2'  2  7 DT H4'  3.010 2.410 3.490  3.198  2.997  3.392      . 0 0 "[    .   ]" 1 
       362 2  7 DT H1'  2  7 DT H3'  3.250 2.600 3.900  4.043  3.969  4.089  0.189 7 0 "[    .   ]" 1 
       363 2  7 DT Q5'  2  7 DT H6   3.220 2.580 3.860  3.508  3.230  3.629      . 0 0 "[    .   ]" 1 
       364 2  7 DT H1'  2  7 DT H4'  3.120 2.500 3.740  3.392  3.080  3.971  0.231 7 0 "[    .   ]" 1 
       365 2  7 DT H4'  2  7 DT H6   3.580 2.860 4.300  4.722  4.338  4.997  0.697 7 3 "[*  -. + ]" 1 
       366 2  7 DT H6   2  7 DT M7   2.720 2.180 3.260  2.246  2.205  2.340      . 0 0 "[    .   ]" 1 
       367 2  7 DT H1'  2  7 DT Q5'  3.960 3.170 4.750  4.241  3.902  4.450      . 0 0 "[    .   ]" 1 
       368 2  7 DT Q2'  2  7 DT H6   2.400     . 2.830  2.376  2.248  2.540      . 0 0 "[    .   ]" 1 
       369 2  7 DT H3'  2  7 DT H4'  2.500     . 3.000  2.908  2.816  3.001  0.001 8 0 "[    .   ]" 1 
       370 2  7 DT H3'  2  7 DT M7   4.600 3.680 5.520  4.603  4.137  5.144      . 0 0 "[    .   ]" 1 
       371 2  7 DT H3'  2  7 DT H6   2.800 2.240 3.360  3.129  2.767  3.643  0.283 1 0 "[    .   ]" 1 
       372 2  7 DT Q2'  2  7 DT H3'  2.170     . 2.600  2.210  2.074  2.402      . 0 0 "[    .   ]" 1 
       373 2  7 DT H3'  2  8 DT M7   4.670 3.740 5.600  5.227  4.753  5.925  0.325 7 0 "[    .   ]" 1 
       374 2  7 DT H4'  2  8 DT M7   5.250 4.200 6.300  5.089  4.394  5.846      . 0 0 "[    .   ]" 1 
       375 2  7 DT H1'  2  8 DT H6   4.240 3.390 5.090  4.615  4.305  5.250  0.160 8 0 "[    .   ]" 1 
       376 2  7 DT H1'  2  8 DT M7   4.190 3.350 5.030  3.923  3.347  4.359  0.003 7 0 "[    .   ]" 1 
       377 2  7 DT Q2'  2  8 DT H6   3.250 2.820 3.900  3.682  3.477  3.778      . 0 0 "[    .   ]" 1 
       378 2  7 DT H4'  2  8 DT H6   4.270 3.420 5.120  4.627  3.929  5.530  0.410 6 0 "[    .   ]" 1 
       379 2  7 DT H6   2  8 DT M7   4.930 3.940 5.920  6.007  5.650  6.093  0.173 5 0 "[    .   ]" 1 
       380 2  8 DT H1'  2  8 DT M7   5.480 4.380 6.580  4.870  4.655  4.974      . 0 0 "[    .   ]" 1 
       381 2  8 DT H1'  2  8 DT H3'  3.280 2.620 3.940  3.585  3.501  3.833      . 0 0 "[    .   ]" 1 
       382 2  8 DT H1'  2  8 DT Q5'  4.210 3.370 5.050  4.275  4.160  4.372      . 0 0 "[    .   ]" 1 
       383 2  8 DT H1'  2  8 DT H4'  2.890 2.310 3.470  3.256  2.946  3.544  0.074 5 0 "[    .   ]" 1 
       384 2  8 DT H1'  2  8 DT H6   3.020 2.420 3.620  3.301  3.037  3.444      . 0 0 "[    .   ]" 1 
       385 2  8 DT H6   2  8 DT M7   2.920 2.340 3.500  2.340  2.176  2.401  0.164 7 0 "[    .   ]" 1 
       386 2  8 DT Q5'  2  8 DT H6   3.270 2.620 3.920  3.928  3.498  4.335  0.415 1 0 "[    .   ]" 1 
       387 2  8 DT H1'  2  8 DT Q2'  2.610 2.090 2.800  2.325  2.278  2.368      . 0 0 "[    .   ]" 1 
       388 2  8 DT H4'  2  8 DT H6   3.550 2.840 4.260  4.252  4.127  4.408  0.148 7 0 "[    .   ]" 1 
       389 2  8 DT Q2'  2  8 DT H3'  2.420     . 2.740  2.303  2.207  2.345      . 0 0 "[    .   ]" 1 
       390 2  8 DT H3'  2  8 DT H4'  2.390     . 2.870  2.759  2.660  3.007  0.137 5 0 "[    .   ]" 1 
       391 2  8 DT Q2'  2  8 DT H4'  3.060 2.450 3.670  3.303  2.593  3.455      . 0 0 "[    .   ]" 1 
       392 2  8 DT H1'  2  9 DG Q5'  3.620 2.900 4.340  4.828  4.760  4.922  0.582 8 3 "[*   . -+]" 1 
       393 2  8 DT H3'  2  9 DG H8   4.300 3.440 5.160  4.705  4.359  5.497  0.337 5 0 "[    .   ]" 1 
       394 2  8 DT H4'  2  9 DG H8   3.010 2.410 3.610  3.512  3.201  3.757  0.147 2 0 "[    .   ]" 1 
       395 2  8 DT H6   2  9 DG H8   5.280 4.220 6.340  6.243  5.668  6.507  0.167 6 0 "[    .   ]" 1 
       396 2  8 DT H3'  2 12 DC H5   3.770 3.020 4.520 16.635 15.947 18.145 13.625 7 8  [**-***+*]  1 
       397 2  8 DT Q2'  2 12 DC H5   3.020 2.770 3.620 15.098 13.895 15.886 12.266 8 8  [****-**+]  1 
       398 2  8 DT M7   2 12 DC H1'  5.570 4.460 6.680 15.294 14.494 15.758  9.078 7 8  [**-***+*]  1 
       399 2  8 DT H6   2 12 DC H5   4.040 3.230 4.850 15.620 14.747 16.251 11.401 8 8  [****-**+]  1 
       400 2  9 DG H3'  2  9 DG Q5'  2.150     . 2.580  2.602  2.449  2.651  0.071 3 0 "[    .   ]" 1 
       401 2  9 DG Q5'  2  9 DG H8   3.040 2.430 3.650  3.611  3.502  3.760  0.110 4 0 "[    .   ]" 1 
       402 2  9 DG H2'' 2  9 DG H3'  2.380     . 2.860  2.752  2.741  2.765      . 0 0 "[    .   ]" 1 
       403 2  9 DG H1'  2  9 DG H3'  3.090 2.470 3.710  3.807  3.767  3.839  0.129 5 0 "[    .   ]" 1 
       404 2  9 DG H4'  2  9 DG H8   4.100 3.280 4.920  4.766  4.668  4.892      . 0 0 "[    .   ]" 1 
       405 2  9 DG H1'  2  9 DG H4'  2.810 2.250 3.370  3.361  3.095  3.494  0.124 8 0 "[    .   ]" 1 
       406 2  9 DG H2'  2  9 DG H4'  2.830 2.260 3.400  3.632  3.598  3.753  0.353 5 0 "[    .   ]" 1 
       407 2  9 DG H1'  2  9 DG H2'  2.460     . 2.950  3.140  3.113  3.180  0.230 7 0 "[    .   ]" 1 
       408 2  9 DG H1'  2  9 DG H8   3.350 2.680 4.020  3.885  3.836  3.926      . 0 0 "[    .   ]" 1 
       409 2  9 DG H2'  2  9 DG H8   2.260     . 2.710  2.373  2.311  2.407      . 0 0 "[    .   ]" 1 
       410 2  9 DG H2'' 2  9 DG H8   2.660 2.130 3.190  3.624  3.539  3.716  0.526 2 1 "[ +  .   ]" 1 
       411 2  9 DG H2'  2  9 DG Q5'  2.980 2.380 3.580  3.197  3.059  3.265      . 0 0 "[    .   ]" 1 
       412 2  9 DG H1'  2  9 DG H2'' 2.370     . 2.840  2.523  2.508  2.544      . 0 0 "[    .   ]" 1 
       413 2  9 DG H1'  2 10 DG H4'  3.230 2.580 3.880  4.138  3.938  4.390  0.510 4 1 "[   +.   ]" 1 
       414 2  9 DG H8   2 12 DC H5   3.260 2.610 3.910 12.206 11.835 12.748  8.838 7 8  [***-**+*]  1 
       415 2  9 DG H8   2 12 DC H6   4.490 3.590 5.390 13.734 13.329 14.207  8.817 8 8  [****-**+]  1 
       416 2 10 DG H2'' 2 10 DG H8   3.220 2.580 3.860  3.922  3.736  4.106  0.246 4 0 "[    .   ]" 1 
       417 2 10 DG H1'  2 10 DG H2'' 2.250     . 2.700  2.434  2.415  2.458      . 0 0 "[    .   ]" 1 
       418 2 10 DG H1'  2 10 DG H2'  2.440     . 2.930  3.066  3.052  3.093  0.163 8 0 "[    .   ]" 1 
       419 2 10 DG H1'  2 10 DG H8   2.170     . 2.600  2.578  2.550  2.602  0.002 8 0 "[    .   ]" 1 
       420 2 10 DG H2'  2 10 DG H4'  3.100 2.480 3.720  3.628  3.592  3.669      . 0 0 "[    .   ]" 1 
       421 2 10 DG H3'  2 10 DG H8   4.450 3.560 5.340  5.928  5.837  6.010  0.670 4 7 "[** +**-*]" 1 
       422 2 10 DG H2'  2 10 DG H8   3.750 3.000 4.500  4.576  4.482  4.651  0.151 4 0 "[    .   ]" 1 
       423 2 10 DG H2'' 2 10 DG H4'  3.030 2.420 3.640  4.120  4.071  4.173  0.533 3 2 "[  + . - ]" 1 
       424 2 10 DG H8   2 11 DG Q2'  4.400 3.520 5.090  4.792  4.683  4.943      . 0 0 "[    .   ]" 1 
       425 2 10 DG H8   2 11 DG H4'  3.350 2.680 4.020  3.827  3.677  4.216  0.196 8 0 "[    .   ]" 1 
       426 2 10 DG H2'' 2 11 DG H8   2.330     . 2.800  2.526  2.306  2.693      . 0 0 "[    .   ]" 1 
       427 2 10 DG H2'  2 11 DG H8   2.740 2.190 3.290  3.385  2.989  3.577  0.287 4 0 "[    .   ]" 1 
       428 2 10 DG H8   2 11 DG H8   4.180 3.340 5.020  4.344  4.244  4.513      . 0 0 "[    .   ]" 1 
       429 2 11 DG H4'  2 11 DG H8   3.920 3.140 4.700  4.902  4.710  5.073  0.373 3 0 "[    .   ]" 1 
       430 2 11 DG Q2'  2 11 DG H3'  2.180     . 2.620  2.291  2.198  2.358      . 0 0 "[    .   ]" 1 
       431 2 11 DG H1'  2 11 DG H8   3.020 2.420 3.620  3.858  3.802  3.920  0.300 3 0 "[    .   ]" 1 
       432 2 11 DG Q2'  2 11 DG H4'  3.020 2.510 3.620  3.408  3.334  3.449      . 0 0 "[    .   ]" 1 
       433 2 11 DG Q2'  2 11 DG H8   2.190     . 2.630  2.394  2.140  2.599      . 0 0 "[    .   ]" 1 
       434 2 11 DG H1'  2 11 DG Q2'  2.330     . 2.680  2.296  2.234  2.433      . 0 0 "[    .   ]" 1 
       435 2 11 DG H1'  2 12 DC H6   2.750 2.200 3.300  3.352  3.026  3.618  0.318 5 0 "[    .   ]" 1 
       436 2 11 DG Q2'  2 12 DC H6   2.870 2.300 3.140  2.517  2.410  2.749      . 0 0 "[    .   ]" 1 
       437 2 11 DG Q2'  2 12 DC H5   3.070 2.460 3.480  3.440  3.384  3.511  0.031 8 0 "[    .   ]" 1 
       438 2 11 DG H8   2 12 DC H6   3.990 3.190 4.790  4.943  4.582  5.138  0.348 4 0 "[    .   ]" 1 
       439 2 11 DG H3'  2 12 DC H6   3.620 2.900 4.340  5.024  4.869  5.351  1.011 3 8  [**+*-***]  1 
       440 2 11 DG H8   2 12 DC H5   3.590 2.870 4.310  4.111  3.727  4.411  0.101 4 0 "[    .   ]" 1 
       441 2 12 DC H2'  2 12 DC H6   2.230     . 2.680  2.490  2.417  2.532      . 0 0 "[    .   ]" 1 
       442 2 12 DC H2'' 2 12 DC H3'  2.510 2.010 3.010  3.029  2.992  3.065  0.055 4 0 "[    .   ]" 1 
       443 2 12 DC H1'  2 12 DC H6   3.420 2.740 4.100  3.805  3.726  3.837      . 0 0 "[    .   ]" 1 
       444 2 12 DC H2'  2 12 DC H5   3.510 2.810 4.210  4.556  4.402  4.607  0.397 1 0 "[    .   ]" 1 
       445 2 12 DC H1'  2 12 DC Q5'  3.630 2.900 4.360  4.065  4.014  4.214      . 0 0 "[    .   ]" 1 
       446 2 12 DC H1'  2 12 DC H4'  2.750 2.200 3.300  3.129  2.916  3.298      . 0 0 "[    .   ]" 1 
       447 2 12 DC H1'  2 12 DC H2'' 2.300     . 2.760  2.499  2.482  2.520      . 0 0 "[    .   ]" 1 
       448 2 12 DC H1'  2 12 DC H2'  2.640 2.110 3.170  2.964  2.928  3.039      . 0 0 "[    .   ]" 1 
       449 2 12 DC H3'  2 12 DC H4'  2.320     . 2.780  2.944  2.909  2.960  0.180 6 0 "[    .   ]" 1 
       450 2 12 DC H3'  2 12 DC H6   3.160 2.530 3.790  2.981  2.825  3.372      . 0 0 "[    .   ]" 1 
       451 2 12 DC H2'' 2 12 DC H4'  2.490     . 2.990  2.804  2.598  3.327  0.337 3 0 "[    .   ]" 1 
       452 2 12 DC Q5'  2 12 DC H6   3.180 2.540 3.820  4.062  3.866  4.282  0.462 4 0 "[    .   ]" 1 
       453 2 12 DC H1'  2 12 DC H3'  3.490 2.790 4.190  3.929  3.813  4.055      . 0 0 "[    .   ]" 1 
       454 2  3 DG H1   2  9 DG H1   3.000 2.400 3.600  3.647  3.614  3.688  0.088 2 0 "[    .   ]" 1 
       455 2  1 DG H1   2 11 DG H1   3.000 2.400 3.600  3.584  3.509  3.647  0.047 5 0 "[    .   ]" 1 
       456 2  2 DG H1   2 11 DG H1   4.000 3.200 4.800  4.329  4.301  4.376      . 0 0 "[    .   ]" 1 
       457 2  2 DG H1   2  3 DG H1   4.000 3.200 4.800  5.839  5.337  6.227  1.427 5 8  [****+**-]  1 
       458 2  9 DG H1   2 10 DG H8   4.000 3.200 4.800  4.777  4.667  4.905  0.105 8 0 "[    .   ]" 1 
       459 2  5 DT H1'  2  9 DG H1   5.000 4.000 6.000  5.856  5.311  6.058  0.058 3 0 "[    .   ]" 1 
       460 2  4 DC H5   2  9 DG H1   5.000 4.000 6.000  5.220  5.121  5.297      . 0 0 "[    .   ]" 1 
       461 2  1 DG H1   2  2 DG H8   4.000 3.200 4.800  4.676  4.450  4.821  0.021 3 0 "[    .   ]" 1 
       462 2  1 DG H1   2  8 DT H6   4.000 3.200 4.800 15.187 14.390 16.285 11.485 7 8  [**-***+*]  1 
       463 2  1 DG H1   2 12 DC H1'  5.000 4.000 6.000  4.782  4.676  4.889      . 0 0 "[    .   ]" 1 
       464 2  1 DG H1   2 12 DC H5   5.000 4.000 6.000  5.107  5.031  5.176      . 0 0 "[    .   ]" 1 
       465 2  1 DG H1   2  8 DT M7   4.000 3.200 4.800 13.035 12.457 13.873  9.073 7 8  [**-***+*]  1 
       466 2 11 DG H1   2 12 DC Q4   4.000 3.200 4.800  3.116  3.000  3.342  0.200 4 0 "[    .   ]" 1 
       467 2  2 DG H8   2 11 DG H1   5.000 4.000 6.000  5.135  4.882  5.338      . 0 0 "[    .   ]" 1 
       468 2  3 DG H1   2 10 DG H8   5.000 4.000 6.000  4.989  4.834  5.264      . 0 0 "[    .   ]" 1 
       469 2  3 DG H1   2  4 DC Q4   4.000 3.200 4.800  3.396  3.218  3.666      . 0 0 "[    .   ]" 1 
       470 2 10 DG H1   2 11 DG H8   5.000 4.000 6.000  6.356  5.933  7.432  1.432 8 2 "[    . -+]" 1 
       471 2  9 DG H8   2 10 DG H1   4.000 3.200 4.800  4.673  4.486  4.863  0.063 2 0 "[    .   ]" 1 
       472 2  2 DG H1   2  3 DG H8   5.000 4.000 6.000  5.961  5.631  6.218  0.218 3 0 "[    .   ]" 1 
       473 2  1 DG H8   2  2 DG H1   5.000 4.000 6.000  4.584  4.396  4.776      . 0 0 "[    .   ]" 1 
       474 2  9 DG H1'  2 10 DG H1   5.000 4.000 6.000  5.787  5.503  6.024  0.024 5 0 "[    .   ]" 1 
       475 2  1 DG H3'  2  2 DG H1   5.000 4.000 6.000  6.248  6.183  6.318  0.318 4 0 "[    .   ]" 1 
       476 2  9 DG H2'' 2 10 DG H1   5.000 4.000 6.000  5.628  5.382  5.956      . 0 0 "[    .   ]" 1 
       477 2  1 DG H2'' 2  2 DG H1   5.000 4.000 6.000  5.026  4.713  5.372      . 0 0 "[    .   ]" 1 
       478 2  9 DG H8   2 12 DC Q4   5.000 4.000 6.000 10.213  9.829 10.873  4.873 7 8  [***-**+*]  1 
       479 2  1 DG H8   2  4 DC Q4   5.000 4.000 6.000 10.312  9.917 10.497  4.497 3 8  [**+****-]  1 
       480 2  8 DT H1'  2 12 DC Q4   5.000 4.000 6.000 11.982 11.449 12.569  6.569 8 8  [****-**+]  1 
       481 2  8 DT M7   2 12 DC Q4   5.000 4.000 6.000 11.290 11.000 11.867  5.867 7 8  [**-***+*]  1 
       482 2  4 DC Q4   2  4 DC H6   5.000 4.000 6.000  4.527  4.477  4.565      . 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                    352
    _Distance_constraint_stats_list.Viol_total                    89.301
    _Distance_constraint_stats_list.Viol_max                      0.140
    _Distance_constraint_stats_list.Viol_rms                      0.0264
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0194
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0317
    _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 DG 2.593 0.139 5 0 "[    .   ]" 
       1  2 DG 1.092 0.095 5 0 "[    .   ]" 
       1  3 DG 0.940 0.095 5 0 "[    .   ]" 
       1  4 DC 1.693 0.140 5 0 "[    .   ]" 
       1  9 DG 1.364 0.101 6 0 "[    .   ]" 
       1 10 DG 0.532 0.039 8 0 "[    .   ]" 
       1 11 DG 0.687 0.045 8 0 "[    .   ]" 
       1 12 DC 2.253 0.103 6 0 "[    .   ]" 
       2  1 DG 2.602 0.140 5 0 "[    .   ]" 
       2  2 DG 1.089 0.095 5 0 "[    .   ]" 
       2  3 DG 0.938 0.095 5 0 "[    .   ]" 
       2  4 DC 1.698 0.139 5 0 "[    .   ]" 
       2  9 DG 1.358 0.103 6 0 "[    .   ]" 
       2 10 DG 0.532 0.040 8 0 "[    .   ]" 
       2 11 DG 0.681 0.045 1 0 "[    .   ]" 
       2 12 DC 2.273 0.101 6 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 DG H21 1 12 DC O2  1.950     . 2.050 1.822 1.806 1.840 0.044 5 0 "[    .   ]" 2 
        2 1  1 DG N2  1 12 DC O2  2.950 2.850 3.050 2.819 2.799 2.832 0.051 5 0 "[    .   ]" 2 
        3 1  1 DG H1  1 12 DC N3  1.990     . 2.090 1.883 1.862 1.912 0.028 5 0 "[    .   ]" 2 
        4 1  1 DG N1  1 12 DC N3  2.900 2.800 3.000 2.886 2.863 2.920     . 0 0 "[    .   ]" 2 
        5 1  1 DG O6  1 12 DC Q4  1.950     . 2.050 1.807 1.796 1.815 0.054 7 0 "[    .   ]" 2 
        6 1  1 DG O6  1 12 DC N4  2.950 2.850 3.050 2.811 2.793 2.819 0.057 8 0 "[    .   ]" 2 
        7 1 12 DC Q4  2  9 DG N7  1.990     . 2.090 2.084 2.071 2.093 0.003 8 0 "[    .   ]" 2 
        8 1 12 DC N4  2  9 DG N7  2.900 2.800 3.000 3.032 3.020 3.041 0.041 3 0 "[    .   ]" 2 
        9 1 12 DC Q4  2  9 DG O6  1.950     . 2.050 2.070 2.055 2.077 0.027 7 0 "[    .   ]" 2 
       10 1 12 DC N4  2  9 DG O6  2.950 2.850 3.050 2.774 2.747 2.798 0.103 6 0 "[    .   ]" 2 
       11 2  4 DC O2  2  9 DG H21 1.950     . 2.050 1.875 1.845 1.935 0.005 7 0 "[    .   ]" 2 
       12 2  4 DC O2  2  9 DG N2  2.950 2.850 3.050 2.851 2.815 2.921 0.035 1 0 "[    .   ]" 2 
       13 2  4 DC N3  2  9 DG H1  1.990     . 2.090 1.910 1.881 1.948 0.009 1 0 "[    .   ]" 2 
       14 2  4 DC N3  2  9 DG N1  2.900 2.800 3.000 2.908 2.871 2.937     . 0 0 "[    .   ]" 2 
       15 2  4 DC Q4  2  9 DG O6  1.950     . 2.050 1.831 1.819 1.836 0.031 6 0 "[    .   ]" 2 
       16 2  4 DC N4  2  9 DG O6  2.950 2.850 3.050 2.844 2.830 2.853 0.020 6 0 "[    .   ]" 2 
       17 1  1 DG N7  2  4 DC Q4  1.990     . 2.090 2.081 2.066 2.089     . 0 0 "[    .   ]" 2 
       18 1  1 DG N7  2  4 DC N4  2.900 2.800 3.000 3.050 3.029 3.064 0.064 7 0 "[    .   ]" 2 
       19 1  1 DG O6  2  4 DC Q4  1.950     . 2.050 2.053 2.043 2.067 0.017 4 0 "[    .   ]" 2 
       20 1  1 DG O6  2  4 DC N4  2.950 2.850 3.050 2.734 2.711 2.761 0.139 5 0 "[    .   ]" 2 
       21 1  3 DG H21 1 10 DG N7  1.990     . 2.090 1.898 1.851 1.956 0.039 8 0 "[    .   ]" 2 
       22 1  3 DG N2  1 10 DG N7  2.900 2.800 3.000 2.896 2.852 2.956     . 0 0 "[    .   ]" 2 
       23 1  3 DG H1  1 10 DG O6  1.950     . 2.050 1.854 1.826 1.889 0.024 4 0 "[    .   ]" 2 
       24 1  3 DG N1  1 10 DG O6  2.950 2.850 3.050 2.830 2.816 2.847 0.034 5 0 "[    .   ]" 2 
       25 1 10 DG H21 2 11 DG N7  1.990     . 2.090 1.870 1.853 1.883 0.037 5 0 "[    .   ]" 2 
       26 1 10 DG N2  2 11 DG N7  2.900 2.800 3.000 2.867 2.842 2.886     . 0 0 "[    .   ]" 2 
       27 1 10 DG H1  2 11 DG O6  1.950     . 2.050 1.960 1.893 2.004     . 0 0 "[    .   ]" 2 
       28 1 10 DG N1  2 11 DG O6  2.950 2.850 3.050 2.847 2.823 2.900 0.027 6 0 "[    .   ]" 2 
       29 2  2 DG N7  2 11 DG H21 1.990     . 2.090 1.868 1.845 1.877 0.045 1 0 "[    .   ]" 2 
       30 2  2 DG N7  2 11 DG N2  2.900 2.800 3.000 2.851 2.810 2.870     . 0 0 "[    .   ]" 2 
       31 2  2 DG O6  2 11 DG H1  1.950     . 2.050 1.840 1.827 1.848 0.023 4 0 "[    .   ]" 2 
       32 2  2 DG O6  2 11 DG N1  2.950 2.850 3.050 2.828 2.808 2.848 0.042 8 0 "[    .   ]" 2 
       33 1  3 DG N7  2  2 DG H21 1.990     . 2.090 1.823 1.795 1.845 0.095 5 0 "[    .   ]" 2 
       34 1  3 DG N7  2  2 DG N2  2.900 2.800 3.000 2.813 2.767 2.850 0.033 5 0 "[    .   ]" 2 
       35 1  3 DG O6  2  2 DG H1  1.950     . 2.050 2.034 1.919 2.077 0.027 2 0 "[    .   ]" 2 
       36 1  3 DG O6  2  2 DG N1  2.950 2.850 3.050 2.901 2.842 2.938 0.008 8 0 "[    .   ]" 2 
       37 2  1 DG H21 2 12 DC O2  1.950     . 2.050 1.821 1.804 1.839 0.046 5 0 "[    .   ]" 2 
       38 2  1 DG N2  2 12 DC O2  2.950 2.850 3.050 2.817 2.798 2.830 0.052 5 0 "[    .   ]" 2 
       39 2  1 DG H1  2 12 DC N3  1.990     . 2.090 1.884 1.863 1.913 0.027 5 0 "[    .   ]" 2 
       40 2  1 DG N1  2 12 DC N3  2.900 2.800 3.000 2.886 2.865 2.919     . 0 0 "[    .   ]" 2 
       41 2  1 DG O6  2 12 DC Q4  1.950     . 2.050 1.807 1.797 1.818 0.053 7 0 "[    .   ]" 2 
       42 2  1 DG O6  2 12 DC N4  2.950 2.850 3.050 2.810 2.790 2.816 0.060 8 0 "[    .   ]" 2 
       43 1  9 DG N7  2 12 DC Q4  1.990     . 2.090 2.084 2.070 2.094 0.004 8 0 "[    .   ]" 2 
       44 1  9 DG N7  2 12 DC N4  2.900 2.800 3.000 3.031 3.020 3.040 0.040 3 0 "[    .   ]" 2 
       45 1  9 DG O6  2 12 DC Q4  1.950     . 2.050 2.070 2.057 2.079 0.029 4 0 "[    .   ]" 2 
       46 1  9 DG O6  2 12 DC N4  2.950 2.850 3.050 2.773 2.749 2.794 0.101 6 0 "[    .   ]" 2 
       47 1  4 DC O2  1  9 DG H21 1.950     . 2.050 1.874 1.845 1.936 0.005 8 0 "[    .   ]" 2 
       48 1  4 DC O2  1  9 DG N2  2.950 2.850 3.050 2.852 2.815 2.921 0.035 1 0 "[    .   ]" 2 
       49 1  4 DC N3  1  9 DG H1  1.990     . 2.090 1.910 1.881 1.948 0.009 1 0 "[    .   ]" 2 
       50 1  4 DC N3  1  9 DG N1  2.900 2.800 3.000 2.907 2.872 2.936     . 0 0 "[    .   ]" 2 
       51 1  4 DC Q4  1  9 DG O6  1.950     . 2.050 1.831 1.820 1.836 0.030 6 0 "[    .   ]" 2 
       52 1  4 DC N4  1  9 DG O6  2.950 2.850 3.050 2.844 2.833 2.851 0.017 6 0 "[    .   ]" 2 
       53 1  4 DC Q4  2  1 DG N7  1.990     . 2.090 2.080 2.068 2.089     . 0 0 "[    .   ]" 2 
       54 1  4 DC N4  2  1 DG N7  2.900 2.800 3.000 3.050 3.030 3.062 0.062 7 0 "[    .   ]" 2 
       55 1  4 DC Q4  2  1 DG O6  1.950     . 2.050 2.052 2.043 2.066 0.016 4 0 "[    .   ]" 2 
       56 1  4 DC N4  2  1 DG O6  2.950 2.850 3.050 2.733 2.710 2.763 0.140 5 0 "[    .   ]" 2 
       57 2  3 DG H21 2 10 DG N7  1.990     . 2.090 1.898 1.850 1.957 0.040 8 0 "[    .   ]" 2 
       58 2  3 DG N2  2 10 DG N7  2.900 2.800 3.000 2.896 2.853 2.955     . 0 0 "[    .   ]" 2 
       59 2  3 DG H1  2 10 DG O6  1.950     . 2.050 1.854 1.825 1.889 0.025 4 0 "[    .   ]" 2 
       60 2  3 DG N1  2 10 DG O6  2.950 2.850 3.050 2.830 2.816 2.846 0.034 5 0 "[    .   ]" 2 
       61 1 11 DG N7  2 10 DG H21 1.990     . 2.090 1.870 1.855 1.884 0.035 5 0 "[    .   ]" 2 
       62 1 11 DG N7  2 10 DG N2  2.900 2.800 3.000 2.868 2.842 2.885     . 0 0 "[    .   ]" 2 
       63 1 11 DG O6  2 10 DG H1  1.950     . 2.050 1.961 1.897 2.003     . 0 0 "[    .   ]" 2 
       64 1 11 DG O6  2 10 DG N1  2.950 2.850 3.050 2.848 2.826 2.900 0.024 6 0 "[    .   ]" 2 
       65 1  2 DG N7  1 11 DG H21 1.990     . 2.090 1.867 1.846 1.877 0.044 1 0 "[    .   ]" 2 
       66 1  2 DG N7  1 11 DG N2  2.900 2.800 3.000 2.851 2.811 2.868     . 0 0 "[    .   ]" 2 
       67 1  2 DG O6  1 11 DG H1  1.950     . 2.050 1.840 1.829 1.847 0.021 4 0 "[    .   ]" 2 
       68 1  2 DG O6  1 11 DG N1  2.950 2.850 3.050 2.828 2.805 2.847 0.045 8 0 "[    .   ]" 2 
       69 1  2 DG H21 2  3 DG N7  1.990     . 2.090 1.824 1.795 1.843 0.095 5 0 "[    .   ]" 2 
       70 1  2 DG N2  2  3 DG N7  2.900 2.800 3.000 2.814 2.766 2.849 0.034 5 0 "[    .   ]" 2 
       71 1  2 DG H1  2  3 DG O6  1.950     . 2.050 2.035 1.924 2.077 0.027 2 0 "[    .   ]" 2 
       72 1  2 DG N1  2  3 DG O6  2.950 2.850 3.050 2.901 2.843 2.936 0.007 8 0 "[    .   ]" 2 
    stop_

save_



Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Friday, March 29, 2024 1:45:22 PM GMT (wattos1)