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
626921 5xng 36087 cing 4-filtered-FRED Wattos check violation distance


data_5xng


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              126
    _Distance_constraint_stats_list.Viol_count                    863
    _Distance_constraint_stats_list.Viol_total                    1199.360
    _Distance_constraint_stats_list.Viol_max                      0.269
    _Distance_constraint_stats_list.Viol_rms                      0.0499
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0238
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0695
    _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 GLU  2.685 0.249 20 0 "[    .    1    .    2]" 
       1  2 PHE  3.098 0.249 20 0 "[    .    1    .    2]" 
       1  3 LYS  6.276 0.231 20 0 "[    .    1    .    2]" 
       1  4 ARG  9.393 0.231 20 0 "[    .    1    .    2]" 
       1  5 ILE 12.299 0.220 20 0 "[    .    1    .    2]" 
       1  6 VAL 11.305 0.220 20 0 "[    .    1    .    2]" 
       1  7 GLN  5.727 0.161 17 0 "[    .    1    .    2]" 
       1  8 ARG  6.844 0.164 18 0 "[    .    1    .    2]" 
       1  9 ILE 12.500 0.229 19 0 "[    .    1    .    2]" 
       1 10 LYS 12.745 0.269 10 0 "[    .    1    .    2]" 
       1 11 ASP  6.148 0.269 10 0 "[    .    1    .    2]" 
       1 12 PHE  3.575 0.138  8 0 "[    .    1    .    2]" 
       1 13 LEU  6.467 0.155 15 0 "[    .    1    .    2]" 
       1 14 ARG  4.171 0.155 15 0 "[    .    1    .    2]" 
       1 15 ASN  0.713 0.108  5 0 "[    .    1    .    2]" 
       1 16 LEU  2.729 0.267 15 0 "[    .    1    .    2]" 
       1 17 VAL  2.256 0.267 15 0 "[    .    1    .    2]" 
    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 GLU H1   1  1 GLU QB   . . 3.300 2.850 2.658 3.371 0.071  6 0 "[    .    1    .    2]" 1 
         2 1  1 GLU H1   1  1 GLU QG   . . 3.500 2.135 1.990 2.515     .  0 0 "[    .    1    .    2]" 1 
         3 1  1 GLU H1   1  2 PHE H    . . 2.900 2.249 1.897 2.951 0.051 18 0 "[    .    1    .    2]" 1 
         4 1  1 GLU H1   1  3 LYS H    . . 4.200 3.738 2.486 4.076     .  0 0 "[    .    1    .    2]" 1 
         5 1  1 GLU HA   1  2 PHE H    . . 3.300 3.383 3.318 3.549 0.249 20 0 "[    .    1    .    2]" 1 
         6 1  1 GLU QB   1  2 PHE H    . . 3.500 3.269 2.312 3.580 0.080 16 0 "[    .    1    .    2]" 1 
         7 1  1 GLU QG   1  2 PHE H    . . 3.800 3.451 1.909 3.845 0.045  6 0 "[    .    1    .    2]" 1 
         8 1  2 PHE H    1  2 PHE QB   . . 3.500 2.389 2.281 2.488     .  0 0 "[    .    1    .    2]" 1 
         9 1  2 PHE H    1  3 LYS H    . . 3.000 2.355 2.189 2.537     .  0 0 "[    .    1    .    2]" 1 
        10 1  2 PHE HA   1  3 LYS H    . . 3.300 3.171 3.131 3.183     .  0 0 "[    .    1    .    2]" 1 
        11 1  2 PHE QB   1  3 LYS H    . . 3.500 3.523 3.506 3.576 0.076  1 0 "[    .    1    .    2]" 1 
        12 1  2 PHE QD   1  5 ILE MD   . . 3.900 2.626 2.491 2.848     .  0 0 "[    .    1    .    2]" 1 
        13 1  2 PHE QE   1  5 ILE MD   . . 3.600 2.822 2.767 2.876     .  0 0 "[    .    1    .    2]" 1 
        14 1  2 PHE HZ   1  5 ILE MD   . . 3.300 3.305 3.301 3.317 0.017  1 0 "[    .    1    .    2]" 1 
        15 1  3 LYS H    1  3 LYS QB   . . 3.500 2.862 2.564 3.049     .  0 0 "[    .    1    .    2]" 1 
        16 1  3 LYS H    1  3 LYS QD   . . 3.800 2.416 1.857 3.814 0.014  8 0 "[    .    1    .    2]" 1 
        17 1  3 LYS H    1  3 LYS QG   . . 3.800 2.195 1.901 3.287     .  0 0 "[    .    1    .    2]" 1 
        18 1  3 LYS H    1  4 ARG H    . . 3.000 2.083 1.991 2.205     .  0 0 "[    .    1    .    2]" 1 
        19 1  3 LYS H    1  6 VAL QG   . . 3.900 3.948 3.912 3.996 0.096 16 0 "[    .    1    .    2]" 1 
        20 1  3 LYS HA   1  4 ARG H    . . 3.300 3.471 3.411 3.531 0.231 20 0 "[    .    1    .    2]" 1 
        21 1  3 LYS HA   1  6 VAL H    . . 3.400 3.413 3.403 3.459 0.059 16 0 "[    .    1    .    2]" 1 
        22 1  3 LYS QB   1  4 ARG H    . . 3.500 3.418 2.590 3.584 0.084  3 0 "[    .    1    .    2]" 1 
        23 1  3 LYS QD   1  4 ARG H    . . 3.800 3.204 1.910 3.821 0.021 20 0 "[    .    1    .    2]" 1 
        24 1  3 LYS QG   1  4 ARG H    . . 3.800 2.600 2.070 3.926 0.126  9 0 "[    .    1    .    2]" 1 
        25 1  4 ARG H    1  4 ARG QB   . . 3.300 2.602 2.415 2.674     .  0 0 "[    .    1    .    2]" 1 
        26 1  4 ARG H    1  4 ARG QG   . . 3.500 2.088 1.933 2.293     .  0 0 "[    .    1    .    2]" 1 
        27 1  4 ARG H    1  5 ILE H    . . 2.900 2.484 2.417 2.580     .  0 0 "[    .    1    .    2]" 1 
        28 1  4 ARG HA   1  5 ILE H    . . 3.300 3.484 3.465 3.516 0.216 16 0 "[    .    1    .    2]" 1 
        29 1  4 ARG HA   1  7 GLN H    . . 3.400 3.408 3.363 3.457 0.057 17 0 "[    .    1    .    2]" 1 
        30 1  4 ARG HA   1  8 ARG H    . . 4.200 4.221 4.167 4.243 0.043 13 0 "[    .    1    .    2]" 1 
        31 1  4 ARG QB   1  5 ILE H    . . 3.500 3.381 2.671 3.546 0.046 20 0 "[    .    1    .    2]" 1 
        32 1  4 ARG QG   1  5 ILE H    . . 3.800 2.491 2.010 3.812 0.012 15 0 "[    .    1    .    2]" 1 
        33 1  5 ILE H    1  5 ILE HB   . . 3.500 3.585 3.583 3.588 0.088 15 0 "[    .    1    .    2]" 1 
        34 1  5 ILE H    1  5 ILE MD   . . 4.000 3.601 3.597 3.619     .  0 0 "[    .    1    .    2]" 1 
        35 1  5 ILE H    1  5 ILE HG13 . . 3.800 2.502 2.423 2.527     .  0 0 "[    .    1    .    2]" 1 
        36 1  5 ILE H    1  5 ILE MG   . . 3.600 2.672 2.586 2.781     .  0 0 "[    .    1    .    2]" 1 
        37 1  5 ILE H    1  6 VAL H    . . 2.800 2.489 2.445 2.537     .  0 0 "[    .    1    .    2]" 1 
        38 1  5 ILE HA   1  6 VAL H    . . 3.300 3.515 3.511 3.520 0.220 20 0 "[    .    1    .    2]" 1 
        39 1  5 ILE HB   1  6 VAL H    . . 3.500 3.602 3.582 3.620 0.120 17 0 "[    .    1    .    2]" 1 
        40 1  5 ILE MD   1  6 VAL H    . . 4.200 3.681 3.644 3.702     .  0 0 "[    .    1    .    2]" 1 
        41 1  6 VAL H    1  6 VAL HB   . . 3.500 3.530 2.693 3.626 0.126 13 0 "[    .    1    .    2]" 1 
        42 1  6 VAL H    1  6 VAL QG   . . 3.800 1.866 1.844 1.939     .  0 0 "[    .    1    .    2]" 1 
        43 1  6 VAL H    1  7 GLN H    . . 3.000 2.325 2.299 2.367     .  0 0 "[    .    1    .    2]" 1 
        44 1  6 VAL HA   1  7 GLN H    . . 3.500 3.491 3.472 3.515 0.015 16 0 "[    .    1    .    2]" 1 
        45 1  6 VAL HA   1  9 ILE H    . . 3.400 3.455 3.428 3.497 0.097 12 0 "[    .    1    .    2]" 1 
        46 1  6 VAL HB   1  7 GLN H    . . 3.800 3.798 3.711 3.961 0.161 17 0 "[    .    1    .    2]" 1 
        47 1  6 VAL QG   1  7 GLN H    . . 4.000 2.149 2.071 2.221     .  0 0 "[    .    1    .    2]" 1 
        48 1  7 GLN H    1  7 GLN QB   . . 3.500 2.207 2.200 2.213     .  0 0 "[    .    1    .    2]" 1 
        49 1  7 GLN H    1  7 GLN QG   . . 3.800 3.890 3.883 3.896 0.096 10 0 "[    .    1    .    2]" 1 
        50 1  7 GLN H    1  8 ARG H    . . 3.100 2.476 2.412 2.535     .  0 0 "[    .    1    .    2]" 1 
        51 1  7 GLN H    1  9 ILE H    . . 4.300 4.041 3.991 4.156     .  0 0 "[    .    1    .    2]" 1 
        52 1  7 GLN HA   1  8 ARG H    . . 3.300 3.403 3.390 3.422 0.122 15 0 "[    .    1    .    2]" 1 
        53 1  7 GLN HA   1 10 LYS H    . . 3.400 3.378 3.183 3.457 0.057  8 0 "[    .    1    .    2]" 1 
        54 1  7 GLN HA   1 11 ASP H    . . 4.200 4.120 3.256 4.253 0.053 18 0 "[    .    1    .    2]" 1 
        55 1  7 GLN QB   1  8 ARG H    . . 3.500 3.137 3.094 3.174     .  0 0 "[    .    1    .    2]" 1 
        56 1  7 GLN QG   1  8 ARG H    . . 3.800 3.795 3.738 3.819 0.019 17 0 "[    .    1    .    2]" 1 
        57 1  8 ARG H    1  8 ARG QB   . . 3.500 2.283 2.210 2.619     .  0 0 "[    .    1    .    2]" 1 
        58 1  8 ARG H    1  8 ARG QG   . . 3.800 3.524 2.221 3.903 0.103 12 0 "[    .    1    .    2]" 1 
        59 1  8 ARG H    1  9 ILE H    . . 2.900 2.319 2.275 2.356     .  0 0 "[    .    1    .    2]" 1 
        60 1  8 ARG H    1 10 LYS H    . . 4.200 3.854 3.693 3.923     .  0 0 "[    .    1    .    2]" 1 
        61 1  8 ARG HA   1  9 ILE H    . . 3.300 3.409 3.385 3.447 0.147 10 0 "[    .    1    .    2]" 1 
        62 1  8 ARG QB   1  9 ILE H    . . 3.500 3.265 3.105 3.664 0.164 18 0 "[    .    1    .    2]" 1 
        63 1  8 ARG QG   1  9 ILE H    . . 3.800 3.433 2.233 3.820 0.020 11 0 "[    .    1    .    2]" 1 
        64 1  9 ILE H    1  9 ILE HB   . . 3.500 3.613 3.507 3.661 0.161 19 0 "[    .    1    .    2]" 1 
        65 1  9 ILE H    1  9 ILE MD   . . 4.000 3.612 3.585 3.639     .  0 0 "[    .    1    .    2]" 1 
        66 1  9 ILE H    1  9 ILE HG13 . . 3.800 2.445 1.928 2.616     .  0 0 "[    .    1    .    2]" 1 
        67 1  9 ILE H    1  9 ILE MG   . . 3.800 3.049 2.840 3.452     .  0 0 "[    .    1    .    2]" 1 
        68 1  9 ILE H    1 10 LYS H    . . 3.000 2.099 1.908 2.260     .  0 0 "[    .    1    .    2]" 1 
        69 1  9 ILE HA   1 10 LYS H    . . 3.300 3.507 3.451 3.529 0.229 19 0 "[    .    1    .    2]" 1 
        70 1  9 ILE HA   1 12 PHE H    . . 3.400 3.209 2.969 3.470 0.070 14 0 "[    .    1    .    2]" 1 
        71 1  9 ILE HB   1 10 LYS H    . . 3.500 3.572 3.520 3.606 0.106  8 0 "[    .    1    .    2]" 1 
        72 1  9 ILE HB   1 12 PHE QD   . . 3.800 3.819 3.803 3.834 0.034  5 0 "[    .    1    .    2]" 1 
        73 1  9 ILE MD   1 10 LYS H    . . 4.000 3.813 3.733 4.026 0.026 12 0 "[    .    1    .    2]" 1 
        74 1 10 LYS H    1 10 LYS QB   . . 3.500 2.355 2.155 2.465     .  0 0 "[    .    1    .    2]" 1 
        75 1 10 LYS H    1 10 LYS QD   . . 3.800 3.749 3.214 3.852 0.052 16 0 "[    .    1    .    2]" 1 
        76 1 10 LYS H    1 10 LYS QG   . . 3.800 2.584 2.160 4.033 0.233  7 0 "[    .    1    .    2]" 1 
        77 1 10 LYS H    1 11 ASP H    . . 3.000 2.720 2.493 3.027 0.027 14 0 "[    .    1    .    2]" 1 
        78 1 10 LYS HA   1 11 ASP H    . . 3.300 3.505 3.462 3.569 0.269 10 0 "[    .    1    .    2]" 1 
        79 1 10 LYS QB   1 11 ASP H    . . 3.500 3.262 2.072 3.528 0.028  8 0 "[    .    1    .    2]" 1 
        80 1 10 LYS QD   1 11 ASP H    . . 3.800 3.079 2.487 3.933 0.133 11 0 "[    .    1    .    2]" 1 
        81 1 10 LYS QG   1 11 ASP H    . . 4.000 2.601 1.986 4.027 0.027 14 0 "[    .    1    .    2]" 1 
        82 1 11 ASP H    1 11 ASP QB   . . 3.500 2.253 2.149 2.371     .  0 0 "[    .    1    .    2]" 1 
        83 1 11 ASP H    1 12 PHE H    . . 2.800 2.388 2.159 2.622     .  0 0 "[    .    1    .    2]" 1 
        84 1 11 ASP HA   1 12 PHE H    . . 3.300 3.223 3.170 3.392 0.092 10 0 "[    .    1    .    2]" 1 
        85 1 11 ASP HA   1 15 ASN H    . . 4.200 4.134 3.901 4.205 0.005  8 0 "[    .    1    .    2]" 1 
        86 1 11 ASP QB   1 12 PHE H    . . 3.500 3.450 3.114 3.528 0.028 12 0 "[    .    1    .    2]" 1 
        87 1 12 PHE H    1 12 PHE QB   . . 3.500 2.233 2.167 2.280     .  0 0 "[    .    1    .    2]" 1 
        88 1 12 PHE H    1 13 LEU H    . . 2.800 2.240 2.105 2.442     .  0 0 "[    .    1    .    2]" 1 
        89 1 12 PHE HA   1 13 LEU H    . . 3.300 3.426 3.398 3.438 0.138  8 0 "[    .    1    .    2]" 1 
        90 1 12 PHE QB   1 12 PHE QE   . . 4.000 3.931 3.924 3.936     .  0 0 "[    .    1    .    2]" 1 
        91 1 12 PHE QB   1 13 LEU H    . . 3.500 3.101 3.057 3.246     .  0 0 "[    .    1    .    2]" 1 
        92 1 12 PHE QD   1 13 LEU QB   . . 3.900 3.610 2.899 3.906 0.006 20 0 "[    .    1    .    2]" 1 
        93 1 12 PHE QD   1 13 LEU QD   . . 4.500 3.620 3.212 3.874     .  0 0 "[    .    1    .    2]" 1 
        94 1 12 PHE QD   1 16 LEU QD   . . 3.400 3.181 2.706 3.415 0.015  8 0 "[    .    1    .    2]" 1 
        95 1 12 PHE QE   1 13 LEU QD   . . 4.800 4.635 4.150 4.814 0.014 10 0 "[    .    1    .    2]" 1 
        96 1 13 LEU H    1 13 LEU QB   . . 3.500 2.933 2.547 3.125     .  0 0 "[    .    1    .    2]" 1 
        97 1 13 LEU H    1 13 LEU QD   . . 3.900 2.412 1.886 3.106     .  0 0 "[    .    1    .    2]" 1 
        98 1 13 LEU H    1 13 LEU HG   . . 3.800 2.387 1.934 3.696     .  0 0 "[    .    1    .    2]" 1 
        99 1 13 LEU H    1 14 ARG H    . . 3.000 1.891 1.863 1.983     .  0 0 "[    .    1    .    2]" 1 
       100 1 13 LEU H    1 15 ASN H    . . 4.200 3.570 3.462 3.631     .  0 0 "[    .    1    .    2]" 1 
       101 1 13 LEU HA   1 14 ARG H    . . 3.300 3.422 3.381 3.455 0.155 15 0 "[    .    1    .    2]" 1 
       102 1 13 LEU HA   1 16 LEU H    . . 3.400 3.350 3.200 3.406 0.006  8 0 "[    .    1    .    2]" 1 
       103 1 13 LEU HA   1 17 VAL H    . . 4.200 4.069 2.347 4.203 0.003  6 0 "[    .    1    .    2]" 1 
       104 1 13 LEU QB   1 14 ARG H    . . 3.500 3.568 3.547 3.591 0.091 10 0 "[    .    1    .    2]" 1 
       105 1 13 LEU QD   1 14 ARG H    . . 4.000 2.551 1.917 3.270     .  0 0 "[    .    1    .    2]" 1 
       106 1 13 LEU HG   1 14 ARG H    . . 3.800 3.102 2.288 3.756     .  0 0 "[    .    1    .    2]" 1 
       107 1 14 ARG H    1 14 ARG QB   . . 3.500 2.241 2.148 2.413     .  0 0 "[    .    1    .    2]" 1 
       108 1 14 ARG H    1 14 ARG QG   . . 3.800 2.929 2.548 3.888 0.088  5 0 "[    .    1    .    2]" 1 
       109 1 14 ARG H    1 15 ASN H    . . 3.000 2.460 2.325 2.539     .  0 0 "[    .    1    .    2]" 1 
       110 1 14 ARG HA   1 15 ASN H    . . 3.300 3.310 3.232 3.408 0.108  5 0 "[    .    1    .    2]" 1 
       111 1 14 ARG QB   1 15 ASN H    . . 3.500 3.301 3.126 3.437     .  0 0 "[    .    1    .    2]" 1 
       112 1 15 ASN H    1 15 ASN QB   . . 3.500 2.364 2.198 2.515     .  0 0 "[    .    1    .    2]" 1 
       113 1 15 ASN H    1 16 LEU H    . . 3.000 2.070 1.911 2.266     .  0 0 "[    .    1    .    2]" 1 
       114 1 15 ASN HA   1 16 LEU H    . . 3.300 3.321 3.306 3.340 0.040  8 0 "[    .    1    .    2]" 1 
       115 1 15 ASN QB   1 16 LEU H    . . 3.500 3.290 3.253 3.314     .  0 0 "[    .    1    .    2]" 1 
       116 1 15 ASN HD21 1 16 LEU QD   . . 5.000 4.182 2.075 4.964     .  0 0 "[    .    1    .    2]" 1 
       117 1 16 LEU H    1 16 LEU QB   . . 3.500 2.853 2.302 2.915     .  0 0 "[    .    1    .    2]" 1 
       118 1 16 LEU H    1 16 LEU QD   . . 4.000 2.961 2.807 3.779     .  0 0 "[    .    1    .    2]" 1 
       119 1 16 LEU H    1 16 LEU HG   . . 3.800 2.378 2.228 3.895 0.095 19 0 "[    .    1    .    2]" 1 
       120 1 16 LEU H    1 17 VAL H    . . 2.800 1.925 1.890 2.461     .  0 0 "[    .    1    .    2]" 1 
       121 1 16 LEU HA   1 17 VAL H    . . 3.300 3.378 3.356 3.567 0.267 15 0 "[    .    1    .    2]" 1 
       122 1 16 LEU QB   1 17 VAL H    . . 3.500 3.229 1.921 3.563 0.063  8 0 "[    .    1    .    2]" 1 
       123 1 16 LEU QD   1 17 VAL H    . . 4.000 3.961 3.406 4.023 0.023  6 0 "[    .    1    .    2]" 1 
       124 1 16 LEU HG   1 17 VAL H    . . 3.800 3.733 2.567 3.817 0.017  9 0 "[    .    1    .    2]" 1 
       125 1 17 VAL H    1 17 VAL HB   . . 3.500 3.066 2.546 3.514 0.014 10 0 "[    .    1    .    2]" 1 
       126 1 17 VAL H    1 17 VAL QG   . . 4.000 2.733 2.386 3.086     .  0 0 "[    .    1    .    2]" 1 
    stop_

save_



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

Contact the webmaster for help, if required. Wednesday, May 1, 2024 3:44:29 AM GMT (wattos1)