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
558877 2m2s 18931 cing 4-filtered-FRED Wattos check violation distance


data_2m2s


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              87
    _Distance_constraint_stats_list.Viol_count                    86
    _Distance_constraint_stats_list.Viol_total                    332.255
    _Distance_constraint_stats_list.Viol_max                      1.300
    _Distance_constraint_stats_list.Viol_rms                      0.0805
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0095
    _Distance_constraint_stats_list.Viol_average_violations_only  0.1932
    _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  2 VAL 0.165 0.041  7 0 "[    .    1    .    2]" 
       1  3 CYS 8.736 1.300 13 8 "[   ** *  1  +*-  * *]" 
       1  4 ARG 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  5 ABA 8.268 1.300 13 8 "[   ** *  1  +*-  * *]" 
       1  6 VAL 1.279 0.148 16 0 "[    .    1    .    2]" 
       1  7 ABA 3.909 1.162 14 2 "[    .    1  -+.    2]" 
       1  8 ARG 0.172 0.030  5 0 "[    .    1    .    2]" 
       1  9 ARG 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 10 GLY 2.050 1.162 14 2 "[    .    1  -+.    2]" 
       1 11 VAL 0.097 0.026 15 0 "[    .    1    .    2]" 
       1 12 ABA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 13 ARG 0.021 0.010  8 0 "[    .    1    .    2]" 
       1 14 ABA 3.607 0.923 12 2 "[    .    1 +  . -  2]" 
       1 15 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 16 CYS 3.942 0.923 12 2 "[    .    1 +  . -  2]" 
       1 17 ARG 0.168 0.041  7 0 "[    .    1    .    2]" 
       1 18 ARG 0.000 0.000  . 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  3 CYS H   1  3 CYS QB  2.660 . 3.520 2.439 2.241 2.537     .  0 0 "[    .    1    .    2]" 1 
        2 1  2 VAL H   1  2 VAL HB  2.830 . 3.860 2.890 2.481 3.819     .  0 0 "[    .    1    .    2]" 1 
        3 1 18 ARG H   1 18 ARG HA  2.255 . 2.710 2.249 2.224 2.272     .  0 0 "[    .    1    .    2]" 1 
        4 1 18 ARG H   1 18 ARG HB2 2.970 . 4.140 3.130 2.975 3.280     .  0 0 "[    .    1    .    2]" 1 
        5 1 16 CYS H   1 16 CYS HB2 2.830 . 3.860 2.537 2.340 2.731     .  0 0 "[    .    1    .    2]" 1 
        6 1 16 CYS H   1 16 CYS HB3 2.970 . 4.140 3.689 3.570 3.815     .  0 0 "[    .    1    .    2]" 1 
        7 1 11 VAL H   1 11 VAL HB  2.875 . 3.950 2.742 2.454 3.800     .  0 0 "[    .    1    .    2]" 1 
        8 1  9 ARG H   1  9 ARG HA  2.240 . 2.680 2.232 2.205 2.267     .  0 0 "[    .    1    .    2]" 1 
        9 1  9 ARG H   1  9 ARG HB3 2.985 . 4.170 3.617 3.514 3.707     .  0 0 "[    .    1    .    2]" 1 
       10 1  9 ARG H   1  9 ARG HB2 2.830 . 3.860 3.073 2.886 3.239     .  0 0 "[    .    1    .    2]" 1 
       11 1  8 ARG H   1  8 ARG HB3 2.780 . 3.760 3.213 2.525 3.790 0.030  5 0 "[    .    1    .    2]" 1 
       12 1  8 ARG H   1  8 ARG HB2 2.780 . 3.760 2.883 2.400 3.787 0.027 20 0 "[    .    1    .    2]" 1 
       13 1  7 ABA H   1  7 ABA HB3 2.595 . 3.390 2.791 2.519 3.520 0.130  3 0 "[    .    1    .    2]" 1 
       14 1  7 ABA H   1  7 ABA HB2 2.595 . 3.390 2.917 2.263 3.543 0.153 14 0 "[    .    1    .    2]" 1 
       15 1 13 ARG H   1 13 ARG HB3 2.485 . 3.170 2.597 2.380 2.863     .  0 0 "[    .    1    .    2]" 1 
       16 1 13 ARG H   1 13 ARG HB2 2.485 . 3.170 2.896 2.392 3.177 0.007 16 0 "[    .    1    .    2]" 1 
       17 1 14 ABA H   1 14 ABA HB3 2.410 . 3.020 2.509 2.423 2.576     .  0 0 "[    .    1    .    2]" 1 
       18 1 14 ABA H   1 14 ABA HB2 2.410 . 3.020 2.777 2.583 2.889     .  0 0 "[    .    1    .    2]" 1 
       19 1 15 VAL H   1 15 VAL HB  2.875 . 3.950 3.124 2.508 3.836     .  0 0 "[    .    1    .    2]" 1 
       20 1  6 VAL H   1  6 VAL HB  2.845 . 3.890 3.244 2.606 3.856     .  0 0 "[    .    1    .    2]" 1 
       21 1  5 ABA H   1  5 ABA HB3 2.380 . 2.960 2.492 2.419 2.552     .  0 0 "[    .    1    .    2]" 1 
       22 1  5 ABA H   1  5 ABA HB2 2.380 . 2.960 2.755 2.631 2.911     .  0 0 "[    .    1    .    2]" 1 
       23 1  2 VAL HA  1  3 CYS H   2.285 . 2.770 2.133 2.051 2.245     .  0 0 "[    .    1    .    2]" 1 
       24 1  3 CYS HA  1  4 ARG H   2.270 . 2.740 2.065 1.992 2.125     .  0 0 "[    .    1    .    2]" 1 
       25 1  3 CYS HA  1 17 ARG H   2.735 . 3.670 3.446 3.239 3.641     .  0 0 "[    .    1    .    2]" 1 
       26 1  3 CYS HA  1 16 CYS HA  2.225 . 2.650 2.000 1.912 2.132 0.088  7 0 "[    .    1    .    2]" 1 
       27 1  3 CYS QB  1  4 ARG H   2.815 . 3.830 3.294 2.914 3.548     .  0 0 "[    .    1    .    2]" 1 
       28 1  4 ARG H   1 16 CYS HA  2.690 . 3.580 3.350 3.024 3.558     .  0 0 "[    .    1    .    2]" 1 
       29 1  4 ARG HA  1  5 ABA H   2.100 . 2.400 2.128 2.055 2.198     .  0 0 "[    .    1    .    2]" 1 
       30 1  5 ABA HA  1  6 VAL H   2.350 . 2.900 2.129 2.077 2.193     .  0 0 "[    .    1    .    2]" 1 
       31 1  6 VAL H   1 13 ARG H   2.660 . 3.520 3.306 3.121 3.530 0.010  8 0 "[    .    1    .    2]" 1 
       32 1  6 VAL HA  1  7 ABA H   2.225 . 2.650 2.137 1.940 2.351     .  0 0 "[    .    1    .    2]" 1 
       33 1  6 VAL HB  1  7 ABA H   2.720 . 3.640 3.516 2.615 3.788 0.148 16 0 "[    .    1    .    2]" 1 
       34 1  7 ABA HA  1 13 ARG H   2.920 . 4.040 3.180 2.658 3.644     .  0 0 "[    .    1    .    2]" 1 
       35 1  7 ABA HA  1  8 ARG H   2.395 . 2.990 2.108 2.052 2.166     .  0 0 "[    .    1    .    2]" 1 
       36 1  8 ARG H   1 11 VAL H   2.660 . 3.520 3.329 2.911 3.546 0.026 15 0 "[    .    1    .    2]" 1 
       37 1  8 ARG HA  1  9 ARG H   2.225 . 2.650 2.193 2.068 2.368     .  0 0 "[    .    1    .    2]" 1 
       38 1  9 ARG H   1 10 GLY H   2.675 . 3.550 2.793 2.350 3.299     .  0 0 "[    .    1    .    2]" 1 
       39 1  8 ARG H   1 12 ABA HA  2.860 . 3.920 3.578 3.114 3.911     .  0 0 "[    .    1    .    2]" 1 
       40 1  9 ARG HA  1 10 GLY H   2.395 . 2.990 2.616 2.285 2.896     .  0 0 "[    .    1    .    2]" 1 
       41 1 10 GLY H   1 11 VAL H   2.610 . 3.420 2.814 2.552 3.070     .  0 0 "[    .    1    .    2]" 1 
       42 1 11 VAL HA  1 12 ABA H   2.180 . 2.560 2.149 2.091 2.269     .  0 0 "[    .    1    .    2]" 1 
       43 1 12 ABA HA  1 13 ARG H   2.100 . 2.400 2.117 2.038 2.212     .  0 0 "[    .    1    .    2]" 1 
       44 1 13 ARG HA  1 14 ABA H   2.100 . 2.400 2.187 2.094 2.321     .  0 0 "[    .    1    .    2]" 1 
       45 1 14 ABA HA  1 15 VAL H   2.380 . 2.960 2.098 2.030 2.150     .  0 0 "[    .    1    .    2]" 1 
       46 1  4 ARG H   1 15 VAL H   2.765 . 3.730 3.142 2.930 3.371     .  0 0 "[    .    1    .    2]" 1 
       47 1 15 VAL HA  1 16 CYS H   2.350 . 2.900 2.145 2.059 2.266     .  0 0 "[    .    1    .    2]" 1 
       48 1 16 CYS HA  1 17 ARG H   2.255 . 2.710 2.080 1.996 2.161     .  0 0 "[    .    1    .    2]" 1 
       49 1 16 CYS HB3 1 17 ARG H   2.750 . 3.700 3.497 3.016 3.704 0.004 12 0 "[    .    1    .    2]" 1 
       50 1  2 VAL H   1 17 ARG H   2.470 . 3.140 3.112 2.984 3.181 0.041  7 0 "[    .    1    .    2]" 1 
       51 1 17 ARG HA  1 18 ARG H   2.240 . 2.680 2.142 2.015 2.255     .  0 0 "[    .    1    .    2]" 1 
       52 1 18 ARG H   1 18 ARG QD  4.090 . 6.380 4.882 3.956 5.565     .  0 0 "[    .    1    .    2]" 1 
       53 1 18 ARG H   1 18 ARG QG  3.950 . 6.100 4.305 4.031 4.596     .  0 0 "[    .    1    .    2]" 1 
       54 1 17 ARG H   1 17 ARG QD  4.090 . 6.380 4.521 3.776 5.207     .  0 0 "[    .    1    .    2]" 1 
       55 1 17 ARG H   1 17 ARG HG3 3.650 . 5.500 3.914 3.103 4.770     .  0 0 "[    .    1    .    2]" 1 
       56 1 17 ARG H   1 17 ARG HG2 3.650 . 5.500 3.613 2.209 5.017     .  0 0 "[    .    1    .    2]" 1 
       57 1  4 ARG H   1  4 ARG QD  4.090 . 6.380 4.330 3.517 4.883     .  0 0 "[    .    1    .    2]" 1 
       58 1  4 ARG H   1  4 ARG QG  3.500 . 5.200 3.361 2.340 4.116     .  0 0 "[    .    1    .    2]" 1 
       59 1  9 ARG H   1  9 ARG QD  4.090 . 6.380 4.674 3.714 5.449     .  0 0 "[    .    1    .    2]" 1 
       60 1  9 ARG H   1  9 ARG QG  3.920 . 6.040 4.299 4.035 4.558     .  0 0 "[    .    1    .    2]" 1 
       61 1  8 ARG H   1  8 ARG QD  4.090 . 6.380 4.349 3.626 5.179     .  0 0 "[    .    1    .    2]" 1 
       62 1  8 ARG H   1  8 ARG HG3 3.650 . 5.500 3.931 2.457 4.766     .  0 0 "[    .    1    .    2]" 1 
       63 1  8 ARG H   1  8 ARG HG2 3.650 . 5.500 3.855 2.266 5.006     .  0 0 "[    .    1    .    2]" 1 
       64 1 13 ARG H   1 13 ARG QD  4.090 . 6.380 4.606 4.247 4.950     .  0 0 "[    .    1    .    2]" 1 
       65 1 13 ARG H   1 13 ARG QG  3.500 . 5.200 4.064 3.957 4.195     .  0 0 "[    .    1    .    2]" 1 
       66 1 18 ARG HA  1 18 ARG QD  4.090 . 6.380 3.456 2.046 4.269     .  0 0 "[    .    1    .    2]" 1 
       67 1  9 ARG HA  1  9 ARG QD  4.090 . 6.380 3.238 1.974 4.263     .  0 0 "[    .    1    .    2]" 1 
       68 1 12 ABA H   1 12 ABA HG1 4.130 . 6.460 3.995 2.489 4.663     .  0 0 "[    .    1    .    2]" 1 
       69 1  7 ABA H   1  7 ABA HG1 4.160 . 6.520 4.331 2.017 5.037     .  0 0 "[    .    1    .    2]" 1 
       70 1 14 ABA H   1 14 ABA HG1 3.260 . 4.720 4.558 4.356 4.778 0.058 17 0 "[    .    1    .    2]" 1 
       71 1  5 ABA H   1  5 ABA HG1 3.275 . 4.750 4.555 4.386 4.718     .  0 0 "[    .    1    .    2]" 1 
       72 1  2 VAL QG  1  3 CYS H   4.360 . 6.920 2.882 2.314 3.527     .  0 0 "[    .    1    .    2]" 1 
       73 1  5 ABA HG1 1  6 VAL H   4.160 . 6.520 4.248 3.551 5.312     .  0 0 "[    .    1    .    2]" 1 
       74 1 14 ABA HG1 1 16 CYS HB3 4.160 . 6.520 6.283 5.112 7.443 0.923 12 2 "[    .    1 +  . -  2]" 1 
       75 1  3 CYS QB  1  5 ABA HG1 4.160 . 6.520 6.850 6.081 7.820 1.300 13 8 "[   ** *  1  +*-  * *]" 1 
       76 1  6 VAL QG  1  7 ABA H   4.420 . 7.040 2.863 2.113 3.628     .  0 0 "[    .    1    .    2]" 1 
       77 1  7 ABA HG1 1  8 ARG H   4.020 . 6.240 4.483 3.485 5.645     .  0 0 "[    .    1    .    2]" 1 
       78 1  7 ABA HG1 1 10 GLY H   3.475 . 5.150 4.050 2.132 6.312 1.162 14 2 "[    .    1  -+.    2]" 1 
       79 1 11 VAL QG  1 12 ABA H   4.435 . 7.070 2.956 2.271 3.443     .  0 0 "[    .    1    .    2]" 1 
       80 1 13 ARG H   1 15 VAL QG  4.700 . 7.600 5.082 4.377 5.889     .  0 0 "[    .    1    .    2]" 1 
       81 1 14 ABA HG1 1 15 VAL H   4.160 . 6.520 4.110 3.225 5.205     .  0 0 "[    .    1    .    2]" 1 
       82 1 15 VAL QG  1 16 CYS H   4.465 . 7.130 3.113 2.526 3.617     .  0 0 "[    .    1    .    2]" 1 
       83 1  4 ARG H   1  4 ARG QB  2.420 . 3.040 2.470 2.320 2.671     .  0 0 "[    .    1    .    2]" 1 
       84 1  5 ABA H   1  5 ABA HB2 2.135 . 2.470 2.316 2.253 2.398     .  0 0 "[    .    1    .    2]" 1 
       85 1  8 ARG H   1  8 ARG QB  2.530 . 3.260 2.568 2.283 3.001     .  0 0 "[    .    1    .    2]" 1 
       86 1  8 ARG QB  1  8 ARG QG  1.965 . 2.130 2.053 1.979 2.092     .  0 0 "[    .    1    .    2]" 1 
       87 1 14 ABA H   1 14 ABA HB2 2.145 . 2.490 2.333 2.222 2.403     .  0 0 "[    .    1    .    2]" 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              12
    _Distance_constraint_stats_list.Viol_count                    51
    _Distance_constraint_stats_list.Viol_total                    17.373
    _Distance_constraint_stats_list.Viol_max                      0.060
    _Distance_constraint_stats_list.Viol_rms                      0.0095
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0036
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0170
    _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  2 VAL 0.380 0.060 11 0 "[    .    1    .    2]" 
       1  4 ARG 0.139 0.028  9 0 "[    .    1    .    2]" 
       1  6 VAL 0.350 0.060  5 0 "[    .    1    .    2]" 
       1 13 ARG 0.350 0.060  5 0 "[    .    1    .    2]" 
       1 15 VAL 0.139 0.028  9 0 "[    .    1    .    2]" 
       1 17 ARG 0.380 0.060 11 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 2 VAL H 1 17 ARG O 1.900 . 2.000 2.005 1.924 2.060 0.060 11 0 "[    .    1    .    2]" 2 
        2 1 2 VAL N 1 17 ARG O 2.400 . 3.000 2.929 2.832 3.008 0.008 11 0 "[    .    1    .    2]" 2 
        3 1 2 VAL O 1 17 ARG H 1.900 . 2.000 1.901 1.771 2.012 0.029  7 0 "[    .    1    .    2]" 2 
        4 1 2 VAL O 1 17 ARG N 2.400 . 3.000 2.852 2.746 2.976     .  0 0 "[    .    1    .    2]" 2 
        5 1 4 ARG H 1 15 VAL O 1.900 . 2.000 1.823 1.772 1.936 0.028  9 0 "[    .    1    .    2]" 2 
        6 1 4 ARG N 1 15 VAL O 2.400 . 3.000 2.778 2.714 2.873     .  0 0 "[    .    1    .    2]" 2 
        7 1 4 ARG O 1 15 VAL H 1.900 . 2.000 1.896 1.784 2.018 0.018 17 0 "[    .    1    .    2]" 2 
        8 1 4 ARG O 1 15 VAL N 2.400 . 3.000 2.843 2.761 2.966     .  0 0 "[    .    1    .    2]" 2 
        9 1 6 VAL H 1 13 ARG O 1.900 . 2.000 1.921 1.788 2.035 0.035 14 0 "[    .    1    .    2]" 2 
       10 1 6 VAL N 1 13 ARG O 2.400 . 3.000 2.855 2.726 2.974     .  0 0 "[    .    1    .    2]" 2 
       11 1 6 VAL O 1 13 ARG H 1.900 . 2.000 1.835 1.740 2.016 0.060  5 0 "[    .    1    .    2]" 2 
       12 1 6 VAL O 1 13 ARG N 2.400 . 3.000 2.785 2.693 2.924     .  0 0 "[    .    1    .    2]" 2 
    stop_

save_



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