NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage program type subtype subsubtype
591255 2mzl 25491 cing 4-filtered-FRED Wattos check violation distance


data_2mzl


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              120
    _Distance_constraint_stats_list.Viol_count                    143
    _Distance_constraint_stats_list.Viol_total                    175.083
    _Distance_constraint_stats_list.Viol_max                      1.061
    _Distance_constraint_stats_list.Viol_rms                      0.0948
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0146
    _Distance_constraint_stats_list.Viol_average_violations_only  0.1224
    _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 GLY  0.000 0.000 .  0 "[    .    1]" 
       1  2 GLU  0.188 0.033 5  0 "[    .    1]" 
       1  3 CGU  0.000 0.000 .  0 "[    .    1]" 
       1  4 CGU  0.145 0.031 6  0 "[    .    1]" 
       1  5 LEU  0.432 0.046 3  0 "[    .    1]" 
       1  6 GLN  0.000 0.000 .  0 "[    .    1]" 
       1  7 CGU  0.002 0.002 3  0 "[    .    1]" 
       1  8 ASN  0.010 0.010 7  0 "[    .    1]" 
       1  9 GLN  2.358 0.215 1  0 "[    .    1]" 
       1 10 HYP  0.905 0.104 9  0 "[    .    1]" 
       1 11 CGU  1.335 0.150 9  0 "[    .    1]" 
       1 12 LEU  2.007 0.215 1  0 "[    .    1]" 
       1 13 ILE  1.790 0.135 6  0 "[    .    1]" 
       1 14 ARG 11.017 1.061 3 10  [**+**-****]  
       1 15 CGU 10.099 1.061 3 10  [**+**-****]  
       1 16 LYS  2.011 0.150 9  0 "[    .    1]" 
       1 17 SER  0.053 0.017 2  0 "[    .    1]" 
       1 18 ASN  0.074 0.041 4  0 "[    .    1]" 
    stop_

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

         1 1  1 GLY QA   1  2 GLU H    4.000     . 5.700 2.470 2.174 2.931     .  0  0 "[    .    1]" 1 
         2 1  2 GLU H    1  2 GLU HG2  2.500     . 3.500 1.970 1.874 2.113     .  0  0 "[    .    1]" 1 
         3 1  2 GLU H    1  2 GLU HG3  2.500     . 3.500 3.381 2.773 3.504 0.004 10  0 "[    .    1]" 1 
         4 1  2 GLU HA   1  2 GLU QB   2.500     . 4.000 2.199 2.195 2.201     .  0  0 "[    .    1]" 1 
         5 1  2 GLU HA   1  2 GLU QG   3.500     . 5.000 3.304 3.298 3.323     .  0  0 "[    .    1]" 1 
         6 1  2 GLU HA   1  5 LEU H    3.500 3.000 4.000 3.348 3.203 3.559     .  0  0 "[    .    1]" 1 
         7 1  2 GLU HA   1  5 LEU HB2  3.500 3.000 4.000 3.984 3.839 4.033 0.033  5  0 "[    .    1]" 1 
         8 1  2 GLU HA   1  5 LEU HB3  3.500 3.000 4.000 3.011 2.972 3.214 0.028  6  0 "[    .    1]" 1 
         9 1  2 GLU HA   1  5 LEU HG   4.000     . 5.700 5.198 5.061 5.493     .  0  0 "[    .    1]" 1 
        10 1  2 GLU QG   1  3 CGU HA   3.500     . 5.000 3.330 3.070 3.663     .  0  0 "[    .    1]" 1 
        11 1  2 GLU QG   1  6 GLN H    3.500     . 6.000 5.029 4.631 5.266     .  0  0 "[    .    1]" 1 
        12 1  3 CGU HA   1  3 CGU HB2  3.500     . 4.000 2.943 2.568 3.032     .  0  0 "[    .    1]" 1 
        13 1  3 CGU HA   1  3 CGU HG   3.500     . 4.000 2.658 2.261 3.012     .  0  0 "[    .    1]" 1 
        14 1  3 CGU HA   1  6 GLN H    3.500 3.000 4.000 3.513 3.394 3.637     .  0  0 "[    .    1]" 1 
        15 1  3 CGU HB2  1  3 CGU HG   3.500     . 4.000 2.763 2.483 3.024     .  0  0 "[    .    1]" 1 
        16 1  4 CGU HA   1  4 CGU HG   2.500     . 3.000 2.552 2.250 3.001 0.001  2  0 "[    .    1]" 1 
        17 1  4 CGU HA   1  5 LEU H    3.500 3.000 4.000 3.514 3.454 3.559     .  0  0 "[    .    1]" 1 
        18 1  4 CGU HB2  1  4 CGU HG   2.500     . 3.000 3.000 2.933 3.031 0.031  6  0 "[    .    1]" 1 
        19 1  4 CGU HB2  1  5 LEU H    3.500     . 4.000 3.653 3.208 3.955     .  0  0 "[    .    1]" 1 
        20 1  5 LEU H    1  5 LEU HA   2.500     . 3.000 2.887 2.835 2.918     .  0  0 "[    .    1]" 1 
        21 1  5 LEU H    1  5 LEU HB2  3.500     . 4.000 3.037 3.002 3.087     .  0  0 "[    .    1]" 1 
        22 1  5 LEU H    1  5 LEU HB3  2.500     . 3.000 2.173 2.166 2.182     .  0  0 "[    .    1]" 1 
        23 1  5 LEU H    1  5 LEU HG   3.500     . 4.000 4.023 3.992 4.046 0.046  3  0 "[    .    1]" 1 
        24 1  5 LEU H    1  6 GLN H    3.500     . 4.000 2.784 2.708 2.868     .  0  0 "[    .    1]" 1 
        25 1  5 LEU HA   1  5 LEU HG   4.000     . 5.700 3.531 3.514 3.552     .  0  0 "[    .    1]" 1 
        26 1  5 LEU HA   1  6 GLN H    3.500 3.000 4.000 3.580 3.574 3.583     .  0  0 "[    .    1]" 1 
        27 1  5 LEU HA   1  8 ASN HB2  4.000 3.000 5.000 3.224 2.990 4.045 0.010  7  0 "[    .    1]" 1 
        28 1  5 LEU QB   1  6 GLN HA   2.500     . 5.000 4.460 4.436 4.479     .  0  0 "[    .    1]" 1 
        29 1  5 LEU HB2  1  5 LEU HG   2.500     . 3.500 3.030 3.028 3.032     .  0  0 "[    .    1]" 1 
        30 1  5 LEU HB3  1  5 LEU HG   2.500     . 3.500 2.413 2.408 2.417     .  0  0 "[    .    1]" 1 
        31 1  5 LEU MD1  1  6 GLN HA   2.500     . 4.000 3.002 2.966 3.032     .  0  0 "[    .    1]" 1 
        32 1  6 GLN H    1  6 GLN QB   2.500     . 4.000 2.280 2.081 2.623     .  0  0 "[    .    1]" 1 
        33 1  6 GLN HA   1  6 GLN QG   3.500     . 4.000 2.279 2.104 2.487     .  0  0 "[    .    1]" 1 
        34 1  6 GLN HA   1  7 CGU HG   4.000     . 5.700 5.502 5.209 5.699     .  0  0 "[    .    1]" 1 
        35 1  6 GLN HA   1  9 GLN H    3.500 3.000 4.000 3.872 3.699 3.995     .  0  0 "[    .    1]" 1 
        36 1  6 GLN HA   1  9 GLN QB   3.000 2.300 4.500 3.477 2.758 3.957     .  0  0 "[    .    1]" 1 
        37 1  7 CGU HA   1  7 CGU HG   2.500     . 3.000 2.775 2.564 3.002 0.002  3  0 "[    .    1]" 1 
        38 1  8 ASN H    1  8 ASN HA   2.500     . 3.000 2.994 2.991 2.995     .  0  0 "[    .    1]" 1 
        39 1  8 ASN H    1  8 ASN HB2  3.500     . 4.000 2.554 2.467 2.720     .  0  0 "[    .    1]" 1 
        40 1  8 ASN H    1  8 ASN HB3  4.000     . 4.500 3.737 3.652 3.825     .  0  0 "[    .    1]" 1 
        41 1  9 GLN H    1  9 GLN HA   2.500     . 3.000 2.849 2.813 2.883     .  0  0 "[    .    1]" 1 
        42 1  9 GLN H    1  9 GLN QB   3.500     . 4.000 2.163 2.068 2.290     .  0  0 "[    .    1]" 1 
        43 1  9 GLN HA   1  9 GLN QB   2.500     . 4.000 2.391 2.178 2.538     .  0  0 "[    .    1]" 1 
        44 1  9 GLN HA   1  9 GLN QG   3.500     . 4.000 2.585 2.106 3.250     .  0  0 "[    .    1]" 1 
        45 1  9 GLN HA   1 10 HYP HD22 2.500     . 4.000 3.147 3.102 3.195     .  0  0 "[    .    1]" 1 
        46 1  9 GLN HA   1 12 LEU H    3.500 3.000 4.500 4.684 4.637 4.715 0.215  1  0 "[    .    1]" 1 
        47 1  9 GLN HA   1 13 ILE H    4.400 2.700 4.900 4.952 4.930 4.971 0.071  1  0 "[    .    1]" 1 
        48 1  9 GLN QB   1 10 HYP HD22 2.500     . 4.000 2.229 2.147 2.369     .  0  0 "[    .    1]" 1 
        49 1 10 HYP HA   1 10 HYP HB2  2.500     . 3.000 2.889 2.887 2.891     .  0  0 "[    .    1]" 1 
        50 1 10 HYP HA   1 10 HYP HD22 3.500     . 4.000 3.880 3.872 3.889     .  0  0 "[    .    1]" 1 
        51 1 10 HYP HA   1 10 HYP HG   4.000     . 5.700 4.078 4.076 4.081     .  0  0 "[    .    1]" 1 
        52 1 10 HYP HA   1 13 ILE H    4.000     . 5.700 4.052 4.018 4.110     .  0  0 "[    .    1]" 1 
        53 1 10 HYP HA   1 13 ILE HB   3.500     . 4.000 3.968 3.904 4.014 0.014  7  0 "[    .    1]" 1 
        54 1 10 HYP HA   1 13 ILE MD   4.000     . 5.500 4.372 4.256 4.417     .  0  0 "[    .    1]" 1 
        55 1 10 HYP HA   1 13 ILE MG   3.500     . 6.000 3.148 3.043 3.228     .  0  0 "[    .    1]" 1 
        56 1 10 HYP HB2  1 10 HYP HD22 2.500     . 3.000 3.089 3.073 3.104 0.104  9  0 "[    .    1]" 1 
        57 1 10 HYP HD22 1 10 HYP HG   2.500     . 3.000 2.311 2.303 2.314     .  0  0 "[    .    1]" 1 
        58 1 11 CGU HA   1 11 CGU HG   3.500     . 4.000 2.421 2.382 2.539     .  0  0 "[    .    1]" 1 
        59 1 11 CGU HA   1 12 LEU H    3.500 3.000 4.000 3.598 3.591 3.604     .  0  0 "[    .    1]" 1 
        60 1 11 CGU HA   1 16 LYS H    3.500 2.800 5.000 5.116 5.070 5.150 0.150  9  0 "[    .    1]" 1 
        61 1 11 CGU HB2  1 11 CGU HG   2.500     . 3.000 2.926 2.784 2.971     .  0  0 "[    .    1]" 1 
        62 1 11 CGU HB2  1 12 LEU H    3.500     . 4.000 2.380 2.332 2.418     .  0  0 "[    .    1]" 1 
        63 1 11 CGU HG   1 12 LEU H    3.500 3.000 4.000 3.992 3.796 4.064 0.064  8  0 "[    .    1]" 1 
        64 1 12 LEU H    1 12 LEU HA   2.500     . 3.000 2.866 2.852 2.876     .  0  0 "[    .    1]" 1 
        65 1 12 LEU H    1 12 LEU HB2  2.500     . 4.000 2.293 2.202 2.423     .  0  0 "[    .    1]" 1 
        66 1 12 LEU H    1 12 LEU HB3  2.500     . 4.000 3.577 3.527 3.621     .  0  0 "[    .    1]" 1 
        67 1 12 LEU H    1 12 LEU QD   4.000     . 5.700 3.292 3.127 3.402     .  0  0 "[    .    1]" 1 
        68 1 12 LEU H    1 12 LEU HG   2.500     . 3.000 2.673 2.332 2.977     .  0  0 "[    .    1]" 1 
        69 1 12 LEU H    1 16 LYS H    4.000     . 5.700 5.479 5.444 5.507     .  0  0 "[    .    1]" 1 
        70 1 12 LEU HA   1 12 LEU HB3  2.500     . 3.000 2.631 2.540 2.709     .  0  0 "[    .    1]" 1 
        71 1 12 LEU HA   1 12 LEU HG   3.500     . 4.000 2.669 2.346 2.977     .  0  0 "[    .    1]" 1 
        72 1 12 LEU HA   1 13 ILE H    3.500 3.000 4.000 3.484 3.477 3.509     .  0  0 "[    .    1]" 1 
        73 1 12 LEU HB3  1 13 ILE H    3.500 3.000 4.000 3.557 3.243 3.742     .  0  0 "[    .    1]" 1 
        74 1 13 ILE H    1 13 ILE HA   2.500     . 3.000 2.888 2.863 2.901     .  0  0 "[    .    1]" 1 
        75 1 13 ILE H    1 13 ILE MD   4.000     . 5.700 4.122 4.080 4.174     .  0  0 "[    .    1]" 1 
        76 1 13 ILE H    1 13 ILE HG13 3.500     . 4.000 4.113 4.072 4.135 0.135  6  0 "[    .    1]" 1 
        77 1 13 ILE HA   1 13 ILE HB   2.500     . 4.000 2.680 2.668 2.704     .  0  0 "[    .    1]" 1 
        78 1 13 ILE HA   1 13 ILE MD   3.500     . 5.000 3.683 3.662 3.705     .  0  0 "[    .    1]" 1 
        79 1 13 ILE HA   1 13 ILE HG12 2.500     . 3.000 2.744 2.695 2.783     .  0  0 "[    .    1]" 1 
        80 1 13 ILE HA   1 13 ILE MG   2.500     . 4.000 3.123 3.109 3.130     .  0  0 "[    .    1]" 1 
        81 1 13 ILE HA   1 16 LYS H    3.500 3.000 4.000 3.790 3.686 3.924     .  0  0 "[    .    1]" 1 
        82 1 13 ILE HB   1 13 ILE MD   2.500     . 4.000 2.223 2.165 2.353     .  0  0 "[    .    1]" 1 
        83 1 13 ILE HG12 1 16 LYS H    4.000     . 5.700 5.580 5.507 5.643     .  0  0 "[    .    1]" 1 
        84 1 13 ILE HG13 1 14 ARG H    3.500 2.800 5.000 5.012 4.994 5.028 0.028 10  0 "[    .    1]" 1 
        85 1 13 ILE MG   1 16 LYS H    2.500     . 5.000 4.238 4.222 4.256     .  0  0 "[    .    1]" 1 
        86 1 14 ARG H    1 14 ARG HA   2.500     . 3.000 2.954 2.947 2.964     .  0  0 "[    .    1]" 1 
        87 1 14 ARG H    1 14 ARG QB   2.500     . 4.000 2.252 2.157 2.350     .  0  0 "[    .    1]" 1 
        88 1 14 ARG H    1 14 ARG QG   3.500 2.800 5.000 3.732 3.190 4.071     .  0  0 "[    .    1]" 1 
        89 1 14 ARG H    1 15 CGU HB2  3.500     . 4.000 5.010 4.879 5.061 1.061  3 10  [**+**-****]  1 
        90 1 14 ARG H    1 16 LYS H    2.500     . 3.000 3.066 3.041 3.110 0.110  7  0 "[    .    1]" 1 
        91 1 14 ARG HA   1 14 ARG QB   2.500     . 4.000 2.475 2.324 2.550     .  0  0 "[    .    1]" 1 
        92 1 14 ARG HA   1 14 ARG QG   2.500     . 4.000 2.208 2.113 2.432     .  0  0 "[    .    1]" 1 
        93 1 14 ARG HA   1 17 SER H    3.500 2.800 4.000 3.944 3.657 4.017 0.017  2  0 "[    .    1]" 1 
        94 1 14 ARG HA   1 18 ASN H    4.400 3.900 5.100 5.002 4.710 5.141 0.041  4  0 "[    .    1]" 1 
        95 1 15 CGU HA   1 15 CGU HB2  2.500     . 3.000 2.923 2.909 2.954     .  0  0 "[    .    1]" 1 
        96 1 15 CGU HA   1 15 CGU HG   2.500     . 3.000 2.119 2.087 2.144     .  0  0 "[    .    1]" 1 
        97 1 15 CGU HB2  1 15 CGU HG   2.500     . 3.000 2.708 2.662 2.783     .  0  0 "[    .    1]" 1 
        98 1 15 CGU HB2  1 16 LYS H    4.000     . 5.700 3.401 3.342 3.452     .  0  0 "[    .    1]" 1 
        99 1 16 LYS H    1 16 LYS HA   2.500     . 3.000 2.793 2.787 2.816     .  0  0 "[    .    1]" 1 
       100 1 16 LYS H    1 16 LYS HB2  2.500     . 3.000 2.251 2.202 2.273     .  0  0 "[    .    1]" 1 
       101 1 16 LYS H    1 16 LYS HB3  2.500     . 3.000 2.988 2.944 3.010 0.010  7  0 "[    .    1]" 1 
       102 1 16 LYS H    1 16 LYS QD   2.500     . 4.000 3.632 3.376 3.674     .  0  0 "[    .    1]" 1 
       103 1 16 LYS H    1 16 LYS QG   3.500     . 5.000 4.072 4.052 4.086     .  0  0 "[    .    1]" 1 
       104 1 16 LYS HA   1 16 LYS HB2  2.500     . 3.000 2.636 2.615 2.661     .  0  0 "[    .    1]" 1 
       105 1 16 LYS HA   1 16 LYS QD   2.500     . 4.000 2.223 2.131 2.380     .  0  0 "[    .    1]" 1 
       106 1 16 LYS HA   1 16 LYS QG   2.500     . 4.000 2.440 2.339 2.532     .  0  0 "[    .    1]" 1 
       107 1 16 LYS HB2  1 16 LYS HE2  3.500     . 4.000 4.014 3.977 4.046 0.046  7  0 "[    .    1]" 1 
       108 1 16 LYS HB2  1 16 LYS HE3  4.000     . 5.700 4.476 4.326 4.632     .  0  0 "[    .    1]" 1 
       109 1 16 LYS QD   1 16 LYS HE2  2.500     . 4.000 2.312 2.227 2.422     .  0  0 "[    .    1]" 1 
       110 1 16 LYS QD   1 16 LYS HE3  2.500     . 4.000 2.397 2.197 2.503     .  0  0 "[    .    1]" 1 
       111 1 16 LYS HE2  1 16 LYS QG   3.500     . 5.000 2.444 2.185 2.689     .  0  0 "[    .    1]" 1 
       112 1 16 LYS HE3  1 16 LYS QG   2.500     . 4.000 2.454 2.205 3.307     .  0  0 "[    .    1]" 1 
       113 1 17 SER H    1 17 SER HA   2.500     . 3.000 2.942 2.923 2.953     .  0  0 "[    .    1]" 1 
       114 1 17 SER H    1 17 SER QB   2.500     . 3.000 2.232 2.118 2.449     .  0  0 "[    .    1]" 1 
       115 1 17 SER HA   1 18 ASN HA   4.000     . 5.700 5.025 4.636 5.388     .  0  0 "[    .    1]" 1 
       116 1 18 ASN HA   1 18 ASN HD21 4.000     . 5.700 3.714 2.168 4.433     .  0  0 "[    .    1]" 1 
       117 1 18 ASN HB2  1 18 ASN HD21 2.500     . 3.000 2.538 2.245 2.968     .  0  0 "[    .    1]" 1 
       118 1 18 ASN HB2  1 18 ASN HD22 3.500     . 4.000 3.634 3.516 3.813     .  0  0 "[    .    1]" 1 
       119 1 18 ASN HB3  1 18 ASN HD21 3.500     . 4.000 3.086 2.391 3.615     .  0  0 "[    .    1]" 1 
       120 1 18 ASN HB3  1 18 ASN HD22 4.000     . 5.700 3.876 3.569 4.122     .  0  0 "[    .    1]" 1 
    stop_

save_



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