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
655175 7l53 30828 cing 4-filtered-FRED Wattos check violation distance


data_7l53


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              395
    _Distance_constraint_stats_list.Viol_count                    681
    _Distance_constraint_stats_list.Viol_total                    746.337
    _Distance_constraint_stats_list.Viol_max                      0.191
    _Distance_constraint_stats_list.Viol_rms                      0.0196
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0047
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0548
    _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    .    2]" 
       1  2 PHE  3.188 0.098  8 0 "[    .    1    .    2]" 
       1  3 CYS  2.395 0.128 18 0 "[    .    1    .    2]" 
       1  4 TRP  7.949 0.191 15 0 "[    .    1    .    2]" 
       1  5 HIS  4.858 0.191 15 0 "[    .    1    .    2]" 
       1  6 HIS  0.022 0.022  2 0 "[    .    1    .    2]" 
       1  7 SER  0.742 0.113 17 0 "[    .    1    .    2]" 
       1  8 CYS  3.221 0.182 18 0 "[    .    1    .    2]" 
       1  9 VAL 12.967 0.187 16 0 "[    .    1    .    2]" 
       1 10 PRO  0.580 0.063 13 0 "[    .    1    .    2]" 
       1 11 SER  1.380 0.095  5 0 "[    .    1    .    2]" 
       1 12 GLY  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 13 THR  3.987 0.153 15 0 "[    .    1    .    2]" 
       1 14 CYS  4.222 0.153 15 0 "[    .    1    .    2]" 
       1 15 ALA  0.850 0.094  4 0 "[    .    1    .    2]" 
       1 16 ASP  0.796 0.179 14 0 "[    .    1    .    2]" 
       1 17 PHE  7.974 0.187 16 0 "[    .    1    .    2]" 
       1 18 PRO  0.850 0.063 19 0 "[    .    1    .    2]" 
       1 19 TRP  1.411 0.097  1 0 "[    .    1    .    2]" 
       1 20 PRO  0.083 0.019 16 0 "[    .    1    .    2]" 
       1 21 LEU  3.900 0.114  5 0 "[    .    1    .    2]" 
       1 22 GLY  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 23 HIS  1.684 0.096  1 0 "[    .    1    .    2]" 
       1 24 GLN  1.671 0.077  5 0 "[    .    1    .    2]" 
       1 25 CYS  0.382 0.043  9 0 "[    .    1    .    2]" 
       1 26 PHE  2.920 0.132 17 0 "[    .    1    .    2]" 
       1 27 PRO  0.039 0.039  6 0 "[    .    1    .    2]" 
       1 28 ASP  1.380 0.095  5 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 PHE H    1  2 PHE HB3  2.825 . 3.850 2.846 2.761 2.918     .  0 0 "[    .    1    .    2]" 1 
         2 1  2 PHE H    1  2 PHE HB2  2.825 . 3.850 3.404 3.297 3.514     .  0 0 "[    .    1    .    2]" 1 
         3 1  2 PHE HB2  1 26 PHE QD   3.005 . 4.210 2.654 2.336 2.883     .  0 0 "[    .    1    .    2]" 1 
         4 1  2 PHE HB3  1 26 PHE QD   3.005 . 4.210 3.317 2.646 3.576     .  0 0 "[    .    1    .    2]" 1 
         5 1  1 GLY HA2  1  2 PHE H    2.470 . 3.140 2.462 2.332 2.564     .  0 0 "[    .    1    .    2]" 1 
         6 1  2 PHE HA   1  3 CYS H    2.450 . 3.100 2.215 2.148 2.278     .  0 0 "[    .    1    .    2]" 1 
         7 1  3 CYS H    1  3 CYS HB2  2.700 . 3.600 2.507 2.393 2.577     .  0 0 "[    .    1    .    2]" 1 
         8 1  4 TRP H    1  4 TRP HB3  2.845 . 3.890 2.751 2.597 2.859     .  0 0 "[    .    1    .    2]" 1 
         9 1  5 HIS H    1  5 HIS HA   2.370 . 2.940 2.224 2.188 2.273     .  0 0 "[    .    1    .    2]" 1 
        10 1  4 TRP HD1  1  5 HIS HB2  3.210 . 4.620 4.664 4.590 4.701 0.081  8 0 "[    .    1    .    2]" 1 
        11 1  5 HIS HA   1  5 HIS HD2  2.850 . 3.900 2.476 2.064 2.760     .  0 0 "[    .    1    .    2]" 1 
        12 1  6 HIS H    1  6 HIS HA   2.365 . 2.930 2.239 2.214 2.266     .  0 0 "[    .    1    .    2]" 1 
        13 1  5 HIS HA   1  6 HIS H    2.655 . 3.510 2.762 2.314 2.953     .  0 0 "[    .    1    .    2]" 1 
        14 1  7 SER H    1  7 SER HB2  2.755 . 3.710 2.768 2.461 3.737 0.027  4 0 "[    .    1    .    2]" 1 
        15 1  7 SER H    1  7 SER HB3  2.755 . 3.710 3.407 2.525 3.746 0.036  7 0 "[    .    1    .    2]" 1 
        16 1  6 HIS HB3  1  7 SER H    3.525 . 5.250 4.314 4.183 4.385     .  0 0 "[    .    1    .    2]" 1 
        17 1  7 SER HA   1  8 CYS H    2.315 . 2.830 2.719 2.471 2.842 0.012  2 0 "[    .    1    .    2]" 1 
        18 1  3 CYS HA   1  8 CYS HA   2.290 . 2.780 1.871 1.806 1.944     .  0 0 "[    .    1    .    2]" 1 
        19 1  7 SER HB2  1  8 CYS H    3.120 . 4.440 3.160 2.225 3.826     .  0 0 "[    .    1    .    2]" 1 
        20 1  7 SER HB3  1  8 CYS H    3.120 . 4.440 2.593 2.153 3.708     .  0 0 "[    .    1    .    2]" 1 
        21 1  4 TRP H    1  8 CYS HA   2.835 . 3.870 2.475 2.280 2.658     .  0 0 "[    .    1    .    2]" 1 
        22 1  9 VAL H    1  9 VAL MG2  2.440 . 3.080 2.186 2.055 2.284     .  0 0 "[    .    1    .    2]" 1 
        23 1  3 CYS HA   1  4 TRP H    2.350 . 2.900 2.027 1.957 2.077     .  0 0 "[    .    1    .    2]" 1 
        24 1  3 CYS HA   1  9 VAL H    2.905 . 4.010 2.981 2.824 3.269     .  0 0 "[    .    1    .    2]" 1 
        25 1  9 VAL HA   1 10 PRO HD2  2.415 . 3.030 2.314 2.204 2.623     .  0 0 "[    .    1    .    2]" 1 
        26 1  9 VAL HA   1 10 PRO HD3  2.285 . 2.770 2.117 1.918 2.246     .  0 0 "[    .    1    .    2]" 1 
        27 1 10 PRO HA   1 11 SER H    2.510 . 3.220 2.377 2.321 2.424     .  0 0 "[    .    1    .    2]" 1 
        28 1 10 PRO HB2  1 11 SER H    2.925 . 4.050 2.683 2.500 3.129     .  0 0 "[    .    1    .    2]" 1 
        29 1 11 SER HA   1 12 GLY H    2.305 . 2.810 2.162 2.108 2.230     .  0 0 "[    .    1    .    2]" 1 
        30 1 13 THR H    1 13 THR HB   2.440 . 3.080 2.440 2.313 2.576     .  0 0 "[    .    1    .    2]" 1 
        31 1 13 THR H    1 13 THR MG   2.790 . 3.780 3.757 3.705 3.789 0.009 17 0 "[    .    1    .    2]" 1 
        32 1 14 CYS H    1 14 CYS HB3  2.865 . 3.930 3.859 3.823 3.889     .  0 0 "[    .    1    .    2]" 1 
        33 1 13 THR MG   1 14 CYS H    2.470 . 3.140 2.065 2.018 2.112     .  0 0 "[    .    1    .    2]" 1 
        34 1 13 THR HB   1 14 CYS H    2.655 . 3.510 3.619 3.581 3.663 0.153 15 0 "[    .    1    .    2]" 1 
        35 1 13 THR HA   1 14 CYS H    2.260 . 2.720 2.183 2.122 2.302     .  0 0 "[    .    1    .    2]" 1 
        36 1 15 ALA H    1 15 ALA MB   2.615 . 3.430 2.700 2.618 2.769     .  0 0 "[    .    1    .    2]" 1 
        37 1 14 CYS HA   1 15 ALA H    2.395 . 2.990 2.182 2.152 2.203     .  0 0 "[    .    1    .    2]" 1 
        38 1 14 CYS HB3  1 15 ALA H    2.650 . 3.500 3.275 3.180 3.314     .  0 0 "[    .    1    .    2]" 1 
        39 1 14 CYS HB2  1 15 ALA H    3.010 . 4.220 4.143 4.087 4.168     .  0 0 "[    .    1    .    2]" 1 
        40 1 13 THR MG   1 15 ALA H    3.325 . 4.850 3.865 3.751 4.014     .  0 0 "[    .    1    .    2]" 1 
        41 1 16 ASP HA   1 17 PHE H    2.310 . 2.820 2.065 1.965 2.136     .  0 0 "[    .    1    .    2]" 1 
        42 1 16 ASP H    1 16 ASP HB2  2.585 . 3.370 2.923 2.702 3.549 0.179 14 0 "[    .    1    .    2]" 1 
        43 1 16 ASP H    1 16 ASP HB3  2.585 . 3.370 2.508 2.378 2.808     .  0 0 "[    .    1    .    2]" 1 
        44 1 15 ALA HA   1 16 ASP H    2.350 . 2.900 2.343 2.185 2.454     .  0 0 "[    .    1    .    2]" 1 
        45 1 15 ALA MB   1 16 ASP H    2.410 . 3.020 2.424 2.171 2.687     .  0 0 "[    .    1    .    2]" 1 
        46 1 17 PHE H    1 17 PHE HB2  2.490 . 3.180 2.481 2.388 2.660     .  0 0 "[    .    1    .    2]" 1 
        47 1 17 PHE H    1 17 PHE HB3  2.770 . 3.740 3.659 3.578 3.751 0.011 20 0 "[    .    1    .    2]" 1 
        48 1 17 PHE HB2  1 22 GLY H    2.795 . 3.790 3.227 2.981 3.412     .  0 0 "[    .    1    .    2]" 1 
        49 1 16 ASP HA   1 17 PHE QD   3.150 . 4.500 3.906 3.202 4.587 0.087  5 0 "[    .    1    .    2]" 1 
        50 1 17 PHE HA   1 17 PHE QD   2.945 . 4.090 2.775 1.898 3.162     .  0 0 "[    .    1    .    2]" 1 
        51 1 17 PHE HA   1 18 PRO HD3  2.490 . 3.180 2.101 2.026 2.179     .  0 0 "[    .    1    .    2]" 1 
        52 1 17 PHE HA   1 18 PRO HD2  2.710 . 3.620 3.143 2.961 3.259     .  0 0 "[    .    1    .    2]" 1 
        53 1 19 TRP H    1 19 TRP HB2  2.415 . 3.030 2.367 2.231 2.461     .  0 0 "[    .    1    .    2]" 1 
        54 1 19 TRP H    1 19 TRP HB3  2.415 . 3.030 2.582 2.506 2.752     .  0 0 "[    .    1    .    2]" 1 
        55 1 18 PRO HB2  1 19 TRP H    2.865 . 3.930 3.211 3.045 3.359     .  0 0 "[    .    1    .    2]" 1 
        56 1 18 PRO HA   1 19 TRP H    2.215 . 2.630 2.321 2.274 2.360     .  0 0 "[    .    1    .    2]" 1 
        57 1 19 TRP HB3  1 19 TRP HE3  2.925 . 4.050 2.504 2.422 2.537     .  0 0 "[    .    1    .    2]" 1 
        58 1 19 TRP HB2  1 19 TRP HE3  2.925 . 4.050 4.036 3.967 4.066 0.016  6 0 "[    .    1    .    2]" 1 
        59 1 19 TRP HB3  1 19 TRP HD1  2.815 . 3.830 3.810 3.789 3.831 0.001 18 0 "[    .    1    .    2]" 1 
        60 1 19 TRP HB2  1 19 TRP HD1  2.815 . 3.830 2.657 2.629 2.681     .  0 0 "[    .    1    .    2]" 1 
        61 1 19 TRP HA   1 19 TRP HE3  3.045 . 4.290 4.358 4.323 4.387 0.097  1 0 "[    .    1    .    2]" 1 
        62 1 19 TRP HA   1 19 TRP HD1  2.910 . 4.020 3.250 3.123 3.375     .  0 0 "[    .    1    .    2]" 1 
        63 1 19 TRP HA   1 20 PRO HA   2.280 . 2.760 2.088 1.986 2.306     .  0 0 "[    .    1    .    2]" 1 
        64 1 14 CYS H    1 14 CYS HB2  2.450 . 3.100 2.830 2.765 2.897     .  0 0 "[    .    1    .    2]" 1 
        65 1 22 GLY HA3  1 23 HIS H    2.570 . 3.340 2.259 2.188 2.310     .  0 0 "[    .    1    .    2]" 1 
        66 1 22 GLY HA2  1 23 HIS H    2.570 . 3.340 2.994 2.903 3.130     .  0 0 "[    .    1    .    2]" 1 
        67 1 23 HIS HB3  1 23 HIS HD2  2.785 . 3.770 2.784 2.722 2.863     .  0 0 "[    .    1    .    2]" 1 
        68 1 23 HIS HB2  1 23 HIS HD2  2.785 . 3.770 3.848 3.827 3.866 0.096  1 0 "[    .    1    .    2]" 1 
        69 1 23 HIS HA   1 23 HIS HD2  3.615 . 5.430 3.978 3.742 4.190     .  0 0 "[    .    1    .    2]" 1 
        70 1 23 HIS HA   1 24 GLN H    2.260 . 2.720 2.067 2.024 2.094     .  0 0 "[    .    1    .    2]" 1 
        71 1 24 GLN H    1 24 GLN HB2  2.660 . 3.520 2.479 2.329 2.615     .  0 0 "[    .    1    .    2]" 1 
        72 1 25 CYS H    1 25 CYS HB3  2.820 . 3.840 3.677 3.627 3.725     .  0 0 "[    .    1    .    2]" 1 
        73 1 25 CYS H    1 25 CYS HB2  2.820 . 3.840 2.498 2.428 2.575     .  0 0 "[    .    1    .    2]" 1 
        74 1 24 GLN HA   1 25 CYS H    2.320 . 2.840 2.195 2.140 2.289     .  0 0 "[    .    1    .    2]" 1 
        75 1 24 GLN HG2  1 25 CYS H    3.650 . 5.500 4.891 4.755 5.018     .  0 0 "[    .    1    .    2]" 1 
        76 1 24 GLN HB2  1 25 CYS H    3.025 . 4.250 4.028 3.845 4.216     .  0 0 "[    .    1    .    2]" 1 
        77 1 24 GLN HB3  1 25 CYS H    2.725 . 3.650 2.966 2.715 3.228     .  0 0 "[    .    1    .    2]" 1 
        78 1 26 PHE H    1 26 PHE QB   2.495 . 3.190 2.649 2.555 2.722     .  0 0 "[    .    1    .    2]" 1 
        79 1 25 CYS HB3  1 26 PHE H    3.055 . 4.310 2.903 2.773 3.063     .  0 0 "[    .    1    .    2]" 1 
        80 1 25 CYS HB2  1 26 PHE H    3.055 . 4.310 4.017 3.910 4.137     .  0 0 "[    .    1    .    2]" 1 
        81 1 26 PHE HA   1 26 PHE QD   2.560 . 3.320 2.549 2.336 2.703     .  0 0 "[    .    1    .    2]" 1 
        82 1 14 CYS HA   1 26 PHE QD   3.105 . 4.410 3.827 3.271 4.296     .  0 0 "[    .    1    .    2]" 1 
        83 1 26 PHE HA   1 26 PHE QB   2.375 . 2.950 2.303 2.275 2.328     .  0 0 "[    .    1    .    2]" 1 
        84 1 14 CYS HA   1 25 CYS HA   2.295 . 2.790 2.077 1.997 2.123     .  0 0 "[    .    1    .    2]" 1 
        85 1 26 PHE HA   1 27 PRO HD2  2.430 . 3.060 2.502 2.226 2.619     .  0 0 "[    .    1    .    2]" 1 
        86 1 26 PHE HA   1 27 PRO HD3  2.430 . 3.060 2.120 1.999 2.384     .  0 0 "[    .    1    .    2]" 1 
        87 1 10 PRO HG2  1 13 THR HA   3.650 . 5.500 4.910 4.475 5.523 0.023 12 0 "[    .    1    .    2]" 1 
        88 1 28 ASP H    1 28 ASP HB2  2.880 . 3.960 3.375 2.573 3.912     .  0 0 "[    .    1    .    2]" 1 
        89 1 28 ASP H    1 28 ASP HB3  2.880 . 3.960 3.235 2.513 3.830     .  0 0 "[    .    1    .    2]" 1 
        90 1  1 GLY HA2  1 11 SER H    3.415 . 5.030 3.831 3.621 4.107     .  0 0 "[    .    1    .    2]" 1 
        91 1  9 VAL MG1  1 17 PHE QD   3.445 . 5.090 5.088 4.918 5.157 0.067 19 0 "[    .    1    .    2]" 1 
        92 1  1 GLY HA3  1 11 SER H    3.415 . 5.030 3.551 3.102 4.065     .  0 0 "[    .    1    .    2]" 1 
        93 1  4 TRP HE3  1  5 HIS H    3.650 . 5.500 4.661 4.534 4.868     .  0 0 "[    .    1    .    2]" 1 
        94 1  3 CYS HB3  1  4 TRP H    2.795 . 3.790 3.210 3.029 3.448     .  0 0 "[    .    1    .    2]" 1 
        95 1  3 CYS HB2  1  4 TRP H    3.165 . 4.530 4.124 3.994 4.242     .  0 0 "[    .    1    .    2]" 1 
        96 1 13 THR MG   1 26 PHE QD   2.855 . 3.910 3.026 2.488 3.303     .  0 0 "[    .    1    .    2]" 1 
        97 1  5 HIS HB3  1  7 SER H    3.140 . 4.480 3.713 3.128 4.507 0.027 11 0 "[    .    1    .    2]" 1 
        98 1 17 PHE H    1 17 PHE QD   2.715 . 3.630 2.869 2.240 3.613     .  0 0 "[    .    1    .    2]" 1 
        99 1 26 PHE H    1 26 PHE QD   2.670 . 3.540 3.069 2.845 3.262     .  0 0 "[    .    1    .    2]" 1 
       100 1 17 PHE QD   1 24 GLN H    3.100 . 4.400 3.084 2.624 4.410 0.010  6 0 "[    .    1    .    2]" 1 
       101 1 22 GLY H    1 23 HIS H    3.490 . 5.180 4.616 4.581 4.654     .  0 0 "[    .    1    .    2]" 1 
       102 1 19 TRP H    1 22 GLY H    3.650 . 5.500 4.317 3.920 4.634     .  0 0 "[    .    1    .    2]" 1 
       103 1 15 ALA H    1 24 GLN H    2.730 . 3.660 2.865 2.678 3.121     .  0 0 "[    .    1    .    2]" 1 
       104 1 13 THR H    1 14 CYS H    3.335 . 4.870 4.453 4.391 4.513     .  0 0 "[    .    1    .    2]" 1 
       105 1 17 PHE QD   1 18 PRO HD2  2.750 . 3.700 3.432 3.010 3.746 0.046  6 0 "[    .    1    .    2]" 1 
       106 1 17 PHE QD   1 18 PRO HD3  2.935 . 4.070 3.209 2.729 3.528     .  0 0 "[    .    1    .    2]" 1 
       107 1 21 LEU H    1 21 LEU MD1  3.500 . 5.200 3.568 3.473 3.654     .  0 0 "[    .    1    .    2]" 1 
       108 1 21 LEU H    1 21 LEU MD2  3.555 . 5.310 3.748 3.608 3.895     .  0 0 "[    .    1    .    2]" 1 
       109 1 21 LEU H    1 21 LEU HB2  2.480 . 3.160 2.314 2.279 2.346     .  0 0 "[    .    1    .    2]" 1 
       110 1 21 LEU H    1 21 LEU HG   2.905 . 4.010 2.643 2.515 2.784     .  0 0 "[    .    1    .    2]" 1 
       111 1 21 LEU H    1 21 LEU HB3  2.795 . 3.790 3.539 3.519 3.557     .  0 0 "[    .    1    .    2]" 1 
       112 1 17 PHE HA   1 17 PHE QE   3.405 . 5.010 4.566 4.256 4.731     .  0 0 "[    .    1    .    2]" 1 
       113 1 17 PHE QE   1 26 PHE QE   3.165 . 4.530 2.080 1.874 2.764     .  0 0 "[    .    1    .    2]" 1 
       114 1  2 PHE QD   1 26 PHE QD   3.160 . 4.520 4.026 3.692 4.145     .  0 0 "[    .    1    .    2]" 1 
       115 1 15 ALA MB   1 17 PHE QD   3.040 . 4.280 3.401 3.050 3.678     .  0 0 "[    .    1    .    2]" 1 
       116 1 15 ALA MB   1 26 PHE QD   3.440 . 5.080 4.469 3.948 4.738     .  0 0 "[    .    1    .    2]" 1 
       117 1 15 ALA MB   1 17 PHE QE   2.885 . 3.970 2.254 1.998 2.824     .  0 0 "[    .    1    .    2]" 1 
       118 1  2 PHE QD   1  4 TRP HD1  3.650 . 5.500 5.478 5.266 5.533 0.033 16 0 "[    .    1    .    2]" 1 
       119 1 15 ALA H    1 16 ASP H    3.215 . 4.630 4.342 4.277 4.389     .  0 0 "[    .    1    .    2]" 1 
       120 1 17 PHE H    1 24 GLN H    3.055 . 4.310 3.763 3.437 4.077     .  0 0 "[    .    1    .    2]" 1 
       121 1 17 PHE QD   1 21 LEU MD2  3.120 . 4.440 4.051 3.041 4.424     .  0 0 "[    .    1    .    2]" 1 
       122 1  9 VAL MG2  1 17 PHE QD   3.265 . 4.730 4.863 4.789 4.917 0.187 16 0 "[    .    1    .    2]" 1 
       123 1  9 VAL MG1  1 26 PHE QD   2.985 . 4.170 4.253 4.207 4.302 0.132 17 0 "[    .    1    .    2]" 1 
       124 1 17 PHE QE   1 21 LEU MD2  3.480 . 5.160 5.056 4.481 5.220 0.060 16 0 "[    .    1    .    2]" 1 
       125 1  2 PHE QD   1 21 LEU MD2  3.650 . 5.500 4.489 3.919 5.255     .  0 0 "[    .    1    .    2]" 1 
       126 1  2 PHE QD   1 21 LEU MD1  3.390 . 4.980 4.254 3.829 4.897     .  0 0 "[    .    1    .    2]" 1 
       127 1  8 CYS HA   1  9 VAL MG2  3.110 . 4.420 3.688 3.581 3.849     .  0 0 "[    .    1    .    2]" 1 
       128 1 14 CYS HA   1 15 ALA MB   3.275 . 4.750 3.918 3.822 3.969     .  0 0 "[    .    1    .    2]" 1 
       129 1 13 THR MG   1 14 CYS HA   3.175 . 4.550 3.430 3.329 3.530     .  0 0 "[    .    1    .    2]" 1 
       130 1 19 TRP HE1  1 20 PRO HA   3.305 . 4.810 3.855 3.683 4.123     .  0 0 "[    .    1    .    2]" 1 
       131 1 15 ALA H    1 17 PHE QE   3.455 . 5.110 3.340 2.653 4.996     .  0 0 "[    .    1    .    2]" 1 
       132 1 15 ALA H    1 26 PHE QD   3.650 . 5.500 4.664 4.172 5.053     .  0 0 "[    .    1    .    2]" 1 
       133 1 17 PHE QD   1 21 LEU MD1  3.115 . 4.430 2.965 2.102 3.195     .  0 0 "[    .    1    .    2]" 1 
       134 1 24 GLN HE21 1 24 GLN HG3  2.860 . 3.920 2.178 2.127 2.218     .  0 0 "[    .    1    .    2]" 1 
       135 1 17 PHE QE   1 24 GLN HB3  3.350 . 4.900 4.528 3.788 4.950 0.050 12 0 "[    .    1    .    2]" 1 
       136 1 17 PHE QD   1 24 GLN HB3  3.365 . 4.930 4.358 4.066 4.813     .  0 0 "[    .    1    .    2]" 1 
       137 1 21 LEU HB2  1 22 GLY H    2.635 . 3.470 2.313 2.271 2.379     .  0 0 "[    .    1    .    2]" 1 
       138 1 17 PHE QD   1 24 GLN HB2  2.915 . 4.030 2.715 2.354 3.206     .  0 0 "[    .    1    .    2]" 1 
       139 1 17 PHE QD   1 24 GLN HG2  3.060 . 4.320 3.541 3.163 3.978     .  0 0 "[    .    1    .    2]" 1 
       140 1 17 PHE QE   1 24 GLN HB2  2.990 . 4.180 3.174 2.519 3.795     .  0 0 "[    .    1    .    2]" 1 
       141 1 19 TRP HA   1 22 GLY H    2.820 . 3.840 3.118 2.810 3.333     .  0 0 "[    .    1    .    2]" 1 
       142 1 13 THR HB   1 26 PHE QD   2.845 . 3.890 2.335 2.033 2.789     .  0 0 "[    .    1    .    2]" 1 
       143 1 26 PHE QD   1 27 PRO HD2  3.195 . 4.590 4.276 3.862 4.533     .  0 0 "[    .    1    .    2]" 1 
       144 1 26 PHE QD   1 27 PRO HD3  3.195 . 4.590 4.317 4.042 4.629 0.039  6 0 "[    .    1    .    2]" 1 
       145 1  2 PHE HA   1  2 PHE QD   2.650 . 3.500 2.513 2.315 2.680     .  0 0 "[    .    1    .    2]" 1 
       146 1  4 TRP HA   1  4 TRP HD1  2.890 . 3.980 3.162 2.844 3.390     .  0 0 "[    .    1    .    2]" 1 
       147 1 26 PHE HA   1 28 ASP H    3.270 . 4.740 3.441 3.211 3.633     .  0 0 "[    .    1    .    2]" 1 
       148 1 15 ALA H    1 25 CYS HA   2.790 . 3.780 3.778 3.543 3.823 0.043  9 0 "[    .    1    .    2]" 1 
       149 1 19 TRP H    1 21 LEU H    3.650 . 5.500 4.333 4.225 4.503     .  0 0 "[    .    1    .    2]" 1 
       150 1 23 HIS HB2  1 24 GLN H    3.315 . 4.830 4.386 4.299 4.489     .  0 0 "[    .    1    .    2]" 1 
       151 1 24 GLN HE21 1 24 GLN HG2  2.860 . 3.920 3.111 2.873 3.440     .  0 0 "[    .    1    .    2]" 1 
       152 1 24 GLN HE22 1 24 GLN HG2  2.860 . 3.920 3.852 3.741 3.984 0.064 19 0 "[    .    1    .    2]" 1 
       153 1 19 TRP HA   1 21 LEU H    2.670 . 3.540 2.553 2.358 2.763     .  0 0 "[    .    1    .    2]" 1 
       154 1 17 PHE HB2  1 21 LEU H    3.060 . 4.320 4.381 4.338 4.419 0.099 19 0 "[    .    1    .    2]" 1 
       155 1 20 PRO HD2  1 21 LEU H    3.070 . 4.340 2.970 2.759 3.113     .  0 0 "[    .    1    .    2]" 1 
       156 1 21 LEU HA   1 21 LEU HG   2.910 . 4.020 2.937 2.858 3.027     .  0 0 "[    .    1    .    2]" 1 
       157 1 21 LEU HA   1 21 LEU MD1  3.045 . 4.290 3.873 3.837 3.891     .  0 0 "[    .    1    .    2]" 1 
       158 1 21 LEU HA   1 21 LEU MD2  2.565 . 3.330 2.102 2.037 2.162     .  0 0 "[    .    1    .    2]" 1 
       159 1  2 PHE QD   1  3 CYS HA   3.435 . 5.070 4.681 4.489 4.813     .  0 0 "[    .    1    .    2]" 1 
       160 1 24 GLN HE22 1 24 GLN HG3  2.860 . 3.920 3.444 3.419 3.472     .  0 0 "[    .    1    .    2]" 1 
       161 1  2 PHE QE   1  4 TRP HB3  3.080 . 4.360 3.109 2.957 3.309     .  0 0 "[    .    1    .    2]" 1 
       162 1 21 LEU HA   1 24 GLN HE22 3.175 . 4.550 3.839 3.212 4.419     .  0 0 "[    .    1    .    2]" 1 
       163 1  4 TRP H    1  4 TRP HB2  2.845 . 3.890 3.507 3.425 3.575     .  0 0 "[    .    1    .    2]" 1 
       164 1 24 GLN H    1 24 GLN HB3  2.905 . 4.010 3.671 3.577 3.751     .  0 0 "[    .    1    .    2]" 1 
       165 1  6 HIS HA   1  6 HIS HD2  3.485 . 5.170 3.783 2.329 4.435     .  0 0 "[    .    1    .    2]" 1 
       166 1  5 HIS HA   1  6 HIS HD2  3.540 . 5.280 3.577 3.025 5.302 0.022  2 0 "[    .    1    .    2]" 1 
       167 1 15 ALA MB   1 17 PHE HZ   3.205 . 4.610 2.751 2.396 3.411     .  0 0 "[    .    1    .    2]" 1 
       168 1 15 ALA MB   1 26 PHE HZ   2.985 . 4.170 3.974 2.451 4.264 0.094  4 0 "[    .    1    .    2]" 1 
       169 1 24 GLN HB3  1 26 PHE QE   3.420 . 5.040 2.628 2.384 2.910     .  0 0 "[    .    1    .    2]" 1 
       170 1 17 PHE HZ   1 26 PHE QE   3.310 . 4.820 2.894 2.033 4.104     .  0 0 "[    .    1    .    2]" 1 
       171 1 17 PHE QE   1 26 PHE HZ   3.260 . 4.720 2.180 1.859 2.381     .  0 0 "[    .    1    .    2]" 1 
       172 1 17 PHE HZ   1 26 PHE HZ   3.275 . 4.750 3.586 3.026 4.470     .  0 0 "[    .    1    .    2]" 1 
       173 1 21 LEU HB3  1 21 LEU MD2  2.935 . 4.070 2.248 2.221 2.290     .  0 0 "[    .    1    .    2]" 1 
       174 1 21 LEU HB2  1 21 LEU MD1  2.830 . 3.860 2.262 2.234 2.305     .  0 0 "[    .    1    .    2]" 1 
       175 1  9 VAL MG2  1 13 THR HB   2.705 . 3.610 3.050 2.826 3.405     .  0 0 "[    .    1    .    2]" 1 
       176 1  9 VAL H    1  9 VAL HB   2.850 . 3.900 3.746 3.663 3.783     .  0 0 "[    .    1    .    2]" 1 
       177 1  8 CYS HA   1  8 CYS QB   2.385 . 2.970 2.411 2.354 2.443     .  0 0 "[    .    1    .    2]" 1 
       178 1 17 PHE HB3  1 21 LEU MD1  3.045 . 4.290 2.137 2.050 2.251     .  0 0 "[    .    1    .    2]" 1 
       179 1 17 PHE HB3  1 21 LEU MD2  2.995 . 4.190 4.254 4.206 4.304 0.114  5 0 "[    .    1    .    2]" 1 
       180 1  8 CYS HA   1  9 VAL MG1  2.725 . 3.650 3.683 3.653 3.729 0.079  1 0 "[    .    1    .    2]" 1 
       181 1  9 VAL MG2  1 10 PRO HD2  3.240 . 4.680 4.100 3.987 4.267     .  0 0 "[    .    1    .    2]" 1 
       182 1  9 VAL MG2  1 10 PRO HD3  3.355 . 4.910 4.722 4.564 4.796     .  0 0 "[    .    1    .    2]" 1 
       183 1 17 PHE HB2  1 21 LEU HB2  2.720 . 3.640 2.148 2.089 2.247     .  0 0 "[    .    1    .    2]" 1 
       184 1 17 PHE HB2  1 21 LEU HB3  2.875 . 3.950 2.200 2.145 2.265     .  0 0 "[    .    1    .    2]" 1 
       185 1 17 PHE HB3  1 21 LEU HB3  3.110 . 4.420 3.314 3.129 3.444     .  0 0 "[    .    1    .    2]" 1 
       186 1 17 PHE HB3  1 21 LEU HB2  2.785 . 3.770 2.651 2.463 2.756     .  0 0 "[    .    1    .    2]" 1 
       187 1  9 VAL MG1  1 10 PRO HD3  2.950 . 4.100 3.889 3.610 4.040     .  0 0 "[    .    1    .    2]" 1 
       188 1 10 PRO HD2  1 13 THR MG   2.780 . 3.760 2.970 2.423 3.371     .  0 0 "[    .    1    .    2]" 1 
       189 1  9 VAL HB   1 13 THR MG   2.600 . 3.400 1.912 1.839 1.979     .  0 0 "[    .    1    .    2]" 1 
       190 1  8 CYS QB   1  9 VAL H    2.565 . 3.330 3.387 2.987 3.512 0.182 18 0 "[    .    1    .    2]" 1 
       191 1  9 VAL HA   1 13 THR MG   3.535 . 5.270 3.758 3.449 3.991     .  0 0 "[    .    1    .    2]" 1 
       192 1  9 VAL HB   1 10 PRO HD2  2.465 . 3.130 2.669 2.479 2.932     .  0 0 "[    .    1    .    2]" 1 
       193 1  9 VAL HB   1 10 PRO HD3  2.820 . 3.840 3.855 3.601 3.903 0.063 13 0 "[    .    1    .    2]" 1 
       194 1 13 THR HA   1 13 THR MG   2.440 . 3.080 2.437 2.368 2.516     .  0 0 "[    .    1    .    2]" 1 
       195 1 18 PRO HB3  1 19 TRP H    2.865 . 3.930 2.990 2.834 3.083     .  0 0 "[    .    1    .    2]" 1 
       196 1 10 PRO HB3  1 11 SER H    2.925 . 4.050 3.359 2.734 3.596     .  0 0 "[    .    1    .    2]" 1 
       197 1  8 CYS H    1  8 CYS QB   2.495 . 3.190 2.763 2.656 2.845     .  0 0 "[    .    1    .    2]" 1 
       198 1 14 CYS HB3  1 23 HIS HE1  2.930 . 4.060 3.424 2.879 3.856     .  0 0 "[    .    1    .    2]" 1 
       199 1 14 CYS HB2  1 23 HIS HE1  2.860 . 3.920 3.778 3.124 3.942 0.022 14 0 "[    .    1    .    2]" 1 
       200 1 14 CYS HB3  1 25 CYS HA   3.420 . 5.040 3.624 3.407 3.852     .  0 0 "[    .    1    .    2]" 1 
       201 1  9 VAL HA   1  9 VAL MG1  2.490 . 3.180 2.372 2.319 2.432     .  0 0 "[    .    1    .    2]" 1 
       202 1  9 VAL H    1  9 VAL MG1  2.820 . 3.840 2.811 2.656 2.981     .  0 0 "[    .    1    .    2]" 1 
       203 1  3 CYS HB3  1  8 CYS HA   3.380 . 4.960 3.751 3.538 4.026     .  0 0 "[    .    1    .    2]" 1 
       204 1 16 ASP HA   1 23 HIS HA   2.445 . 3.090 2.098 1.832 2.690     .  0 0 "[    .    1    .    2]" 1 
       205 1 11 SER HA   1 28 ASP HA   3.175 . 4.550 4.012 3.655 4.418     .  0 0 "[    .    1    .    2]" 1 
       206 1  3 CYS HA   1  8 CYS QB   2.925 . 4.050 2.866 2.617 3.099     .  0 0 "[    .    1    .    2]" 1 
       207 1  1 GLY HA3  1 26 PHE QB   2.965 . 4.130 3.596 3.479 3.762     .  0 0 "[    .    1    .    2]" 1 
       208 1 13 THR HB   1 26 PHE QB   2.770 . 3.740 3.277 3.000 3.674     .  0 0 "[    .    1    .    2]" 1 
       209 1  1 GLY HA2  1 26 PHE QB   2.965 . 4.130 2.281 2.157 2.414     .  0 0 "[    .    1    .    2]" 1 
       210 1 17 PHE HB3  1 18 PRO HD3  2.710 . 3.620 2.831 2.720 2.924     .  0 0 "[    .    1    .    2]" 1 
       211 1 17 PHE HB2  1 18 PRO HD3  2.960 . 4.120 4.118 4.025 4.173 0.053  6 0 "[    .    1    .    2]" 1 
       212 1 17 PHE HB2  1 18 PRO HD2  2.725 . 3.650 3.672 3.635 3.713 0.063 19 0 "[    .    1    .    2]" 1 
       213 1 17 PHE HB3  1 18 PRO HD2  2.495 . 3.190 2.168 2.051 2.267     .  0 0 "[    .    1    .    2]" 1 
       214 1  9 VAL MG1  1 10 PRO HD2  2.785 . 3.770 3.362 3.175 3.585     .  0 0 "[    .    1    .    2]" 1 
       215 1  9 VAL MG1  1 13 THR HB   3.030 . 4.260 4.077 3.921 4.262 0.002 16 0 "[    .    1    .    2]" 1 
       216 1  9 VAL MG2  1 26 PHE QB   3.010 . 4.220 3.203 3.007 3.331     .  0 0 "[    .    1    .    2]" 1 
       217 1  8 CYS QB   1  9 VAL MG1  3.430 . 5.060 4.884 4.728 5.008     .  0 0 "[    .    1    .    2]" 1 
       218 1  9 VAL HB   1 13 THR HB   3.050 . 4.300 2.651 2.453 2.837     .  0 0 "[    .    1    .    2]" 1 
       219 1 17 PHE HB2  1 21 LEU MD1  3.445 . 5.090 2.660 2.504 2.865     .  0 0 "[    .    1    .    2]" 1 
       220 1 17 PHE HB2  1 21 LEU MD2  3.550 . 5.300 3.839 3.702 3.932     .  0 0 "[    .    1    .    2]" 1 
       221 1  5 HIS H    1  5 HIS HD2  2.785 . 3.770 3.285 2.070 3.889 0.119 17 0 "[    .    1    .    2]" 1 
       222 1  9 VAL MG1  1 13 THR MG   2.970 . 4.140 2.525 2.351 2.755     .  0 0 "[    .    1    .    2]" 1 
       223 1  9 VAL MG2  1 13 THR MG   2.800 . 3.800 2.886 2.674 3.110     .  0 0 "[    .    1    .    2]" 1 
       224 1  9 VAL HA   1  9 VAL MG2  2.785 . 3.770 3.261 3.241 3.282     .  0 0 "[    .    1    .    2]" 1 
       225 1 21 LEU MD2  1 24 GLN HG3  3.475 . 5.150 2.342 2.077 2.667     .  0 0 "[    .    1    .    2]" 1 
       226 1 17 PHE QD   1 24 GLN HG3  3.060 . 4.320 3.619 3.047 3.863     .  0 0 "[    .    1    .    2]" 1 
       227 1 17 PHE QD   1 21 LEU HB3  2.810 . 3.820 3.302 2.724 3.822 0.002 11 0 "[    .    1    .    2]" 1 
       228 1 13 THR MG   1 17 PHE QE   3.420 . 5.040 4.251 3.768 5.054 0.014 12 0 "[    .    1    .    2]" 1 
       229 1  9 VAL MG2  1 26 PHE QD   2.820 . 3.840 2.437 2.252 2.741     .  0 0 "[    .    1    .    2]" 1 
       230 1  9 VAL MG2  1 17 PHE HZ   3.395 . 4.990 2.488 2.136 3.320     .  0 0 "[    .    1    .    2]" 1 
       231 1  2 PHE QE   1  9 VAL MG2  3.380 . 4.960 4.571 4.409 4.822     .  0 0 "[    .    1    .    2]" 1 
       232 1  9 VAL MG2  1 26 PHE QE   3.235 . 4.670 2.254 2.103 2.600     .  0 0 "[    .    1    .    2]" 1 
       233 1  2 PHE QD   1  9 VAL MG2  2.835 . 3.870 2.774 2.689 2.946     .  0 0 "[    .    1    .    2]" 1 
       234 1  2 PHE QD   1  9 VAL MG1  3.595 . 5.390 4.188 3.958 4.410     .  0 0 "[    .    1    .    2]" 1 
       235 1  9 VAL MG1  1 26 PHE QE   3.650 . 5.500 3.583 3.469 3.672     .  0 0 "[    .    1    .    2]" 1 
       236 1 24 GLN HB2  1 26 PHE QE   3.095 . 4.390 2.973 2.478 3.199     .  0 0 "[    .    1    .    2]" 1 
       237 1 13 THR MG   1 17 PHE HZ   3.650 . 5.500 4.186 3.394 5.362     .  0 0 "[    .    1    .    2]" 1 
       238 1  2 PHE QD   1 26 PHE QB   3.325 . 4.850 4.769 4.585 4.901 0.051 11 0 "[    .    1    .    2]" 1 
       239 1 19 TRP HE3  1 20 PRO HD3  2.805 . 3.810 3.346 3.209 3.625     .  0 0 "[    .    1    .    2]" 1 
       240 1  4 TRP HE3  1  5 HIS HB2  3.265 . 4.730 3.472 3.084 4.083     .  0 0 "[    .    1    .    2]" 1 
       241 1  5 HIS H    1  6 HIS H    2.835 . 3.870 2.955 2.663 3.346     .  0 0 "[    .    1    .    2]" 1 
       242 1  2 PHE H    1  9 VAL H    2.665 . 3.530 2.996 2.856 3.198     .  0 0 "[    .    1    .    2]" 1 
       243 1  4 TRP H    1  7 SER H    2.715 . 3.630 3.400 3.095 3.650 0.020  5 0 "[    .    1    .    2]" 1 
       244 1  6 HIS H    1  7 SER H    2.600 . 3.400 2.637 2.522 2.781     .  0 0 "[    .    1    .    2]" 1 
       245 1  1 GLY HA2  1 11 SER HA   2.970 . 4.140 2.708 2.534 2.883     .  0 0 "[    .    1    .    2]" 1 
       246 1  7 SER HA   1  8 CYS QB   2.920 . 4.040 3.904 3.759 4.153 0.113 17 0 "[    .    1    .    2]" 1 
       247 1 17 PHE HB3  1 22 GLY H    3.125 . 4.450 4.173 3.956 4.334     .  0 0 "[    .    1    .    2]" 1 
       248 1  2 PHE QE   1  4 TRP HB2  3.080 . 4.360 2.315 2.023 2.667     .  0 0 "[    .    1    .    2]" 1 
       249 1 24 GLN HB2  1 26 PHE HZ   3.345 . 4.890 2.241 2.066 2.404     .  0 0 "[    .    1    .    2]" 1 
       250 1  9 VAL MG2  1 26 PHE HZ   3.535 . 5.270 3.639 3.236 3.814     .  0 0 "[    .    1    .    2]" 1 
       251 1 20 PRO HG2  1 21 LEU MD2  3.380 . 4.960 4.237 3.692 4.568     .  0 0 "[    .    1    .    2]" 1 
       252 1 20 PRO HG2  1 21 LEU MD1  3.650 . 5.500 5.403 4.791 5.519 0.019 16 0 "[    .    1    .    2]" 1 
       253 1 21 LEU MD1  1 24 GLN HG3  3.650 . 5.500 3.746 3.444 4.098     .  0 0 "[    .    1    .    2]" 1 
       254 1 20 PRO HD2  1 21 LEU HG   3.650 . 5.500 2.886 2.619 3.241     .  0 0 "[    .    1    .    2]" 1 
       255 1 17 PHE HB2  1 21 LEU HG   3.465 . 5.130 4.348 4.243 4.503     .  0 0 "[    .    1    .    2]" 1 
       256 1 14 CYS HA   1 25 CYS HB2  3.510 . 5.220 4.774 4.691 4.868     .  0 0 "[    .    1    .    2]" 1 
       257 1 14 CYS HA   1 25 CYS HB3  3.510 . 5.220 4.191 4.023 4.366     .  0 0 "[    .    1    .    2]" 1 
       258 1 26 PHE HA   1 26 PHE QE   3.595 . 5.390 4.546 4.369 4.653     .  0 0 "[    .    1    .    2]" 1 
       259 1  8 CYS HA   1  9 VAL H    2.370 . 2.940 2.094 1.950 2.202     .  0 0 "[    .    1    .    2]" 1 
       260 1  4 TRP HE1  1  5 HIS HD2  3.650 . 5.500 3.824 2.685 4.738     .  0 0 "[    .    1    .    2]" 1 
       261 1  2 PHE QD   1  3 CYS H    2.925 . 4.050 3.085 2.866 3.240     .  0 0 "[    .    1    .    2]" 1 
       262 1 21 LEU H    1 22 GLY H    2.590 . 3.380 2.535 2.452 2.688     .  0 0 "[    .    1    .    2]" 1 
       263 1  2 PHE QE   1  3 CYS H    3.040 . 4.280 4.285 4.119 4.329 0.049 12 0 "[    .    1    .    2]" 1 
       264 1 21 LEU MD2  1 24 GLN HE22 3.445 . 5.090 3.608 3.454 3.798     .  0 0 "[    .    1    .    2]" 1 
       265 1 21 LEU HB3  1 22 GLY H    2.780 . 3.760 3.236 3.189 3.303     .  0 0 "[    .    1    .    2]" 1 
       266 1 13 THR MG   1 26 PHE HZ   3.565 . 5.330 5.298 4.596 5.433 0.103 16 0 "[    .    1    .    2]" 1 
       267 1  9 VAL MG1  1 17 PHE QE   2.945 . 4.090 3.344 3.059 3.502     .  0 0 "[    .    1    .    2]" 1 
       268 1  9 VAL MG2  1 17 PHE QE   3.195 . 4.590 3.123 2.865 3.332     .  0 0 "[    .    1    .    2]" 1 
       269 1  2 PHE QE   1  9 VAL MG1  3.650 . 5.500 5.546 5.475 5.578 0.078  6 0 "[    .    1    .    2]" 1 
       270 1  4 TRP H    1  8 CYS QB   3.060 . 4.320 3.888 3.658 4.411 0.091  4 0 "[    .    1    .    2]" 1 
       271 1 23 HIS HB3  1 24 GLN H    3.315 . 4.830 4.254 4.125 4.376     .  0 0 "[    .    1    .    2]" 1 
       272 1 15 ALA MB   1 24 GLN H    3.650 . 5.500 4.214 4.099 4.351     .  0 0 "[    .    1    .    2]" 1 
       273 1 21 LEU MD2  1 24 GLN HE21 3.445 . 5.090 2.390 1.989 2.738     .  0 0 "[    .    1    .    2]" 1 
       274 1 17 PHE H    1 21 LEU HB3  3.225 . 4.650 4.129 3.923 4.400     .  0 0 "[    .    1    .    2]" 1 
       275 1 17 PHE QE   1 21 LEU MD1  3.650 . 5.500 4.194 3.796 4.363     .  0 0 "[    .    1    .    2]" 1 
       276 1  2 PHE H    1  9 VAL MG2  2.500 . 3.200 2.380 2.254 2.491     .  0 0 "[    .    1    .    2]" 1 
       277 1  2 PHE H    1  9 VAL MG1  3.460 . 5.120 4.655 4.457 4.779     .  0 0 "[    .    1    .    2]" 1 
       278 1  2 PHE H    1  9 VAL HB   3.110 . 4.420 4.436 4.400 4.459 0.039  4 0 "[    .    1    .    2]" 1 
       279 1  2 PHE H    1 26 PHE QB   2.905 . 4.010 3.505 3.126 3.742     .  0 0 "[    .    1    .    2]" 1 
       280 1 13 THR H    1 26 PHE QB   3.140 . 4.480 3.395 3.082 3.896     .  0 0 "[    .    1    .    2]" 1 
       281 1  1 GLY HA3  1  2 PHE H    2.470 . 3.140 2.679 2.567 2.805     .  0 0 "[    .    1    .    2]" 1 
       282 1  5 HIS HB2  1  7 SER H    3.110 . 4.420 4.327 4.131 4.446 0.026 13 0 "[    .    1    .    2]" 1 
       283 1  6 HIS HB2  1  7 SER H    3.525 . 5.250 3.828 3.620 4.020     .  0 0 "[    .    1    .    2]" 1 
       284 1 21 LEU HA   1 24 GLN HE21 3.175 . 4.550 2.982 1.986 4.293     .  0 0 "[    .    1    .    2]" 1 
       285 1 17 PHE H    1 23 HIS HA   2.960 . 4.120 3.102 2.813 3.323     .  0 0 "[    .    1    .    2]" 1 
       286 1 16 ASP HA   1 24 GLN H    2.865 . 3.930 3.515 3.297 3.843     .  0 0 "[    .    1    .    2]" 1 
       287 1 12 GLY H    1 13 THR H    2.470 . 3.140 2.306 2.173 2.534     .  0 0 "[    .    1    .    2]" 1 
       288 1  3 CYS H    1  4 TRP H    2.980 . 4.160 4.260 4.222 4.288 0.128 18 0 "[    .    1    .    2]" 1 
       289 1 21 LEU MD1  1 24 GLN HG2  3.650 . 5.500 4.561 4.388 4.858     .  0 0 "[    .    1    .    2]" 1 
       290 1 21 LEU MD2  1 24 GLN HG2  3.475 . 5.150 3.553 3.179 3.831     .  0 0 "[    .    1    .    2]" 1 
       291 1 17 PHE H    1 22 GLY HA2  3.310 . 4.820 3.470 3.283 3.826     .  0 0 "[    .    1    .    2]" 1 
       292 1 17 PHE H    1 22 GLY HA3  3.310 . 4.820 4.479 4.317 4.705     .  0 0 "[    .    1    .    2]" 1 
       293 1 15 ALA H    1 24 GLN HB2  3.650 . 5.500 3.846 3.597 4.029     .  0 0 "[    .    1    .    2]" 1 
       294 1  9 VAL H    1 10 PRO HD3  3.550 . 5.300 4.682 4.456 4.863     .  0 0 "[    .    1    .    2]" 1 
       295 1  4 TRP H    1  7 SER HB3  3.650 . 5.500 5.039 4.070 5.552 0.052  4 0 "[    .    1    .    2]" 1 
       296 1  4 TRP H    1  7 SER HB2  3.650 . 5.500 4.503 3.959 5.511 0.011 17 0 "[    .    1    .    2]" 1 
       297 1 11 SER HA   1 28 ASP H    3.645 . 5.490 3.925 3.747 4.140     .  0 0 "[    .    1    .    2]" 1 
       298 1  9 VAL MG2  1 14 CYS H    3.475 . 5.150 5.241 5.214 5.255 0.105 16 0 "[    .    1    .    2]" 1 
       299 1  9 VAL MG1  1 14 CYS H    3.650 . 5.500 5.394 5.133 5.541 0.041 19 0 "[    .    1    .    2]" 1 
       300 1 17 PHE HB3  1 21 LEU H    3.275 . 4.750 4.712 4.532 4.781 0.031 18 0 "[    .    1    .    2]" 1 
       301 1 24 GLN HG3  1 25 CYS H    3.650 . 5.500 5.166 4.941 5.330     .  0 0 "[    .    1    .    2]" 1 
       302 1  2 PHE H    1 13 THR MG   3.650 . 5.500 5.556 5.501 5.598 0.098  8 0 "[    .    1    .    2]" 1 
       303 1  9 VAL MG2  1 13 THR H    3.650 . 5.500 4.772 4.608 5.026     .  0 0 "[    .    1    .    2]" 1 
       304 1 17 PHE QD   1 21 LEU HB2  3.295 . 4.790 4.046 3.701 4.224     .  0 0 "[    .    1    .    2]" 1 
       305 1 24 GLN HB2  1 26 PHE QD   3.650 . 5.500 4.515 4.259 4.811     .  0 0 "[    .    1    .    2]" 1 
       306 1 24 GLN HB3  1 26 PHE QD   3.650 . 5.500 3.814 3.644 4.073     .  0 0 "[    .    1    .    2]" 1 
       307 1  9 VAL HB   1 26 PHE QD   3.650 . 5.500 3.570 3.259 3.770     .  0 0 "[    .    1    .    2]" 1 
       308 1  2 PHE QE   1  4 TRP HA   3.555 . 5.310 4.422 4.108 4.687     .  0 0 "[    .    1    .    2]" 1 
       309 1 21 LEU MD1  1 22 GLY H    3.650 . 5.500 4.187 4.126 4.258     .  0 0 "[    .    1    .    2]" 1 
       310 1 21 LEU MD2  1 22 GLY H    3.650 . 5.500 4.606 4.562 4.643     .  0 0 "[    .    1    .    2]" 1 
       311 1 24 GLN HG3  1 26 PHE QE   3.650 . 5.500 3.246 2.937 3.737     .  0 0 "[    .    1    .    2]" 1 
       312 1 24 GLN HG2  1 26 PHE QE   3.650 . 5.500 4.554 4.314 4.912     .  0 0 "[    .    1    .    2]" 1 
       313 1 13 THR HA   1 14 CYS HA   3.650 . 5.500 4.473 4.428 4.537     .  0 0 "[    .    1    .    2]" 1 
       314 1  7 SER HA   1  8 CYS HA   3.585 . 5.370 4.547 4.382 4.618     .  0 0 "[    .    1    .    2]" 1 
       315 1 18 PRO HA   1 19 TRP HB2  3.515 . 5.230 4.477 4.291 4.585     .  0 0 "[    .    1    .    2]" 1 
       316 1 18 PRO HA   1 19 TRP HB3  3.515 . 5.230 4.891 4.796 5.042     .  0 0 "[    .    1    .    2]" 1 
       317 1  1 GLY HA3  1 11 SER HA   2.970 . 4.140 3.450 3.268 3.679     .  0 0 "[    .    1    .    2]" 1 
       318 1  4 TRP HD1  1  5 HIS H    3.530 . 5.260 3.029 2.817 3.218     .  0 0 "[    .    1    .    2]" 1 
       319 1  4 TRP HZ2  1  5 HIS H    3.515 . 5.230 5.360 5.303 5.421 0.191 15 0 "[    .    1    .    2]" 1 
       320 1 23 HIS HD2  1 24 GLN HA   3.650 . 5.500 4.092 3.597 4.663     .  0 0 "[    .    1    .    2]" 1 
       321 1 25 CYS HA   1 26 PHE H    2.400 . 3.000 2.266 2.184 2.364     .  0 0 "[    .    1    .    2]" 1 
       322 1 14 CYS H    1 15 ALA H    3.385 . 4.970 4.067 4.027 4.147     .  0 0 "[    .    1    .    2]" 1 
       323 1 16 ASP H    1 17 PHE QE   3.470 . 5.140 4.958 4.545 5.165 0.025  2 0 "[    .    1    .    2]" 1 
       324 1 17 PHE H    1 22 GLY H    3.650 . 5.500 3.713 3.540 3.917     .  0 0 "[    .    1    .    2]" 1 
       325 1 15 ALA MB   1 26 PHE QE   3.075 . 4.350 2.885 2.140 3.206     .  0 0 "[    .    1    .    2]" 1 
       326 1  3 CYS H    1  9 VAL MG2  3.650 . 5.500 4.706 4.634 4.766     .  0 0 "[    .    1    .    2]" 1 
       327 1  4 TRP HE3  1  9 VAL MG2  3.650 . 5.500 4.297 4.172 4.462     .  0 0 "[    .    1    .    2]" 1 
       328 1  4 TRP HZ3  1  9 VAL MG1  3.045 . 4.290 4.162 3.841 4.339 0.049 13 0 "[    .    1    .    2]" 1 
       329 1  4 TRP HZ3  1  9 VAL MG2  3.650 . 5.500 5.582 5.555 5.631 0.131  5 0 "[    .    1    .    2]" 1 
       330 1  1 GLY QA   1  9 VAL MG2  3.035 . 4.270 3.203 2.920 3.441     .  0 0 "[    .    1    .    2]" 1 
       331 1  1 GLY QA   1 11 SER H    3.075 . 4.350 3.268 2.946 3.640     .  0 0 "[    .    1    .    2]" 1 
       332 1  1 GLY QA   1 11 SER HA   2.655 . 3.510 2.613 2.465 2.785     .  0 0 "[    .    1    .    2]" 1 
       333 1  1 GLY QA   1 26 PHE QB   2.545 . 3.290 2.257 2.138 2.387     .  0 0 "[    .    1    .    2]" 1 
       334 1  1 GLY QA   1 28 ASP H    3.070 . 4.340 3.964 3.886 4.021     .  0 0 "[    .    1    .    2]" 1 
       335 1  2 PHE H    1  2 PHE QB   2.575 . 3.350 2.709 2.628 2.768     .  0 0 "[    .    1    .    2]" 1 
       336 1  2 PHE QB   1  3 CYS H    2.880 . 3.960 3.725 3.634 3.793     .  0 0 "[    .    1    .    2]" 1 
       337 1  2 PHE QB   1  9 VAL H    3.570 . 5.340 3.891 3.643 4.169     .  0 0 "[    .    1    .    2]" 1 
       338 1  2 PHE QB   1  9 VAL MG2  2.590 . 3.380 2.184 1.965 2.476     .  0 0 "[    .    1    .    2]" 1 
       339 1  2 PHE QB   1 26 PHE QD   2.635 . 3.470 2.550 2.190 2.740     .  0 0 "[    .    1    .    2]" 1 
       340 1  2 PHE QB   1 26 PHE QE   3.530 . 5.260 2.983 2.843 3.244     .  0 0 "[    .    1    .    2]" 1 
       341 1  2 PHE QD   1  4 TRP QB   3.170 . 4.540 2.925 2.698 3.127     .  0 0 "[    .    1    .    2]" 1 
       342 1  2 PHE QE   1  4 TRP QB   2.745 . 3.690 2.247 2.003 2.547     .  0 0 "[    .    1    .    2]" 1 
       343 1  4 TRP QB   1  4 TRP HD1  2.495 . 3.190 2.665 2.609 2.718     .  0 0 "[    .    1    .    2]" 1 
       344 1  4 TRP QB   1  5 HIS H    3.095 . 4.390 3.491 3.440 3.535     .  0 0 "[    .    1    .    2]" 1 
       345 1  6 HIS H    1  6 HIS QB   2.650 . 3.500 3.379 3.275 3.439     .  0 0 "[    .    1    .    2]" 1 
       346 1  6 HIS QB   1  7 SER H    3.130 . 4.460 3.581 3.414 3.710     .  0 0 "[    .    1    .    2]" 1 
       347 1  7 SER H    1  7 SER QB   2.450 . 3.100 2.547 2.408 3.023     .  0 0 "[    .    1    .    2]" 1 
       348 1 10 PRO QB   1 11 SER H    2.515 . 3.230 2.561 2.428 2.796     .  0 0 "[    .    1    .    2]" 1 
       349 1 11 SER H    1 11 SER QB   2.620 . 3.440 2.584 2.223 2.667     .  0 0 "[    .    1    .    2]" 1 
       350 1 11 SER QB   1 12 GLY H    2.695 . 3.590 3.178 2.986 3.583     .  0 0 "[    .    1    .    2]" 1 
       351 1 11 SER QB   1 27 PRO HA   3.570 . 5.340 3.567 3.214 4.384     .  0 0 "[    .    1    .    2]" 1 
       352 1 11 SER QB   1 27 PRO QB   3.490 . 5.180 4.528 4.370 5.102     .  0 0 "[    .    1    .    2]" 1 
       353 1 11 SER QB   1 28 ASP H    2.780 . 3.760 3.829 3.811 3.855 0.095  5 0 "[    .    1    .    2]" 1 
       354 1 11 SER QB   1 28 ASP HA   2.790 . 3.780 2.563 2.131 3.068     .  0 0 "[    .    1    .    2]" 1 
       355 1 12 GLY QA   1 13 THR H    2.455 . 3.110 2.876 2.829 2.909     .  0 0 "[    .    1    .    2]" 1 
       356 1 14 CYS HA   1 25 CYS QB   3.100 . 4.400 3.935 3.804 4.071     .  0 0 "[    .    1    .    2]" 1 
       357 1 16 ASP H    1 16 ASP QB   2.320 . 2.840 2.365 2.260 2.705     .  0 0 "[    .    1    .    2]" 1 
       358 1 16 ASP HA   1 23 HIS QB   2.995 . 4.190 3.381 3.024 4.030     .  0 0 "[    .    1    .    2]" 1 
       359 1 17 PHE H    1 22 GLY QA   2.910 . 4.020 3.358 3.187 3.668     .  0 0 "[    .    1    .    2]" 1 
       360 1 17 PHE QD   1 24 GLN QG   2.745 . 3.690 3.160 2.955 3.286     .  0 0 "[    .    1    .    2]" 1 
       361 1 17 PHE QD   1 24 GLN QE   3.570 . 5.340 5.276 4.621 5.396 0.056 15 0 "[    .    1    .    2]" 1 
       362 1 17 PHE QE   1 24 GLN QG   3.205 . 4.610 4.412 4.132 4.665 0.055 19 0 "[    .    1    .    2]" 1 
       363 1 18 PRO HA   1 19 TRP QB   3.080 . 4.360 4.142 4.042 4.191     .  0 0 "[    .    1    .    2]" 1 
       364 1 18 PRO QB   1 19 TRP H    2.610 . 3.420 2.747 2.665 2.832     .  0 0 "[    .    1    .    2]" 1 
       365 1 18 PRO QG   1 19 TRP H    3.415 . 5.030 4.469 4.348 4.529     .  0 0 "[    .    1    .    2]" 1 
       366 1 19 TRP QB   1 19 TRP HD1  2.535 . 3.270 2.609 2.583 2.632     .  0 0 "[    .    1    .    2]" 1 
       367 1 19 TRP QB   1 19 TRP HE3  2.615 . 3.430 2.481 2.401 2.513     .  0 0 "[    .    1    .    2]" 1 
       368 1 19 TRP HD1  1 20 PRO QB   3.570 . 5.340 4.420 4.098 4.991     .  0 0 "[    .    1    .    2]" 1 
       369 1 19 TRP HE3  1 20 PRO QB   3.570 . 5.340 3.758 3.197 4.031     .  0 0 "[    .    1    .    2]" 1 
       370 1 19 TRP HE1  1 20 PRO QB   3.285 . 4.770 3.882 3.548 4.528     .  0 0 "[    .    1    .    2]" 1 
       371 1 19 TRP HZ2  1 20 PRO QB   3.570 . 5.340 3.690 3.554 3.989     .  0 0 "[    .    1    .    2]" 1 
       372 1 21 LEU HA   1 24 GLN QE   2.850 . 3.900 2.836 1.971 3.855     .  0 0 "[    .    1    .    2]" 1 
       373 1 21 LEU HB3  1 24 GLN QE   3.235 . 4.670 3.547 3.150 3.962     .  0 0 "[    .    1    .    2]" 1 
       374 1 21 LEU MD1  1 24 GLN QG   3.230 . 4.660 3.578 3.326 3.867     .  0 0 "[    .    1    .    2]" 1 
       375 1 21 LEU MD1  1 24 GLN QE   3.115 . 4.430 4.459 4.310 4.507 0.077  5 0 "[    .    1    .    2]" 1 
       376 1 21 LEU MD2  1 24 GLN QG   3.140 . 4.480 2.311 2.060 2.613     .  0 0 "[    .    1    .    2]" 1 
       377 1 21 LEU MD2  1 24 GLN QE   3.025 . 4.250 2.353 1.978 2.650     .  0 0 "[    .    1    .    2]" 1 
       378 1 22 GLY QA   1 23 HIS H    2.275 . 2.750 2.195 2.146 2.233     .  0 0 "[    .    1    .    2]" 1 
       379 1 23 HIS H    1 23 HIS QB   2.465 . 3.130 2.353 2.254 2.424     .  0 0 "[    .    1    .    2]" 1 
       380 1 23 HIS QB   1 23 HIS HD2  2.530 . 3.260 2.723 2.667 2.790     .  0 0 "[    .    1    .    2]" 1 
       381 1 23 HIS QB   1 24 GLN H    2.885 . 3.970 3.845 3.753 3.934     .  0 0 "[    .    1    .    2]" 1 
       382 1 24 GLN H    1 24 GLN QG   2.850 . 3.900 2.921 2.746 3.176     .  0 0 "[    .    1    .    2]" 1 
       383 1 24 GLN HA   1 24 GLN QE   3.200 . 4.600 4.033 3.694 4.241     .  0 0 "[    .    1    .    2]" 1 
       384 1 24 GLN HB3  1 24 GLN QE   3.225 . 4.650 3.314 2.695 3.757     .  0 0 "[    .    1    .    2]" 1 
       385 1 24 GLN QE   1 24 GLN QG   2.325 . 2.850 2.105 2.052 2.160     .  0 0 "[    .    1    .    2]" 1 
       386 1 24 GLN QG   1 25 CYS H    3.325 . 4.850 4.466 4.373 4.552     .  0 0 "[    .    1    .    2]" 1 
       387 1 25 CYS H    1 25 CYS QB   2.480 . 3.160 2.459 2.394 2.530     .  0 0 "[    .    1    .    2]" 1 
       388 1 25 CYS QB   1 26 PHE H    2.745 . 3.690 2.839 2.723 2.986     .  0 0 "[    .    1    .    2]" 1 
       389 1 26 PHE H    1 27 PRO QD   3.445 . 5.090 3.734 3.486 3.898     .  0 0 "[    .    1    .    2]" 1 
       390 1 26 PHE QB   1 27 PRO QD   3.015 . 4.230 3.497 3.359 3.598     .  0 0 "[    .    1    .    2]" 1 
       391 1 26 PHE QD   1 27 PRO QD   2.915 . 4.030 3.825 3.515 3.994     .  0 0 "[    .    1    .    2]" 1 
       392 1 27 PRO QB   1 28 ASP H    2.805 . 3.810 3.027 2.755 3.467     .  0 0 "[    .    1    .    2]" 1 
       393 1 27 PRO QG   1 28 ASP H    2.930 . 4.060 3.852 2.929 3.992     .  0 0 "[    .    1    .    2]" 1 
       394 1 27 PRO QD   1 28 ASP H    3.335 . 4.870 2.561 2.349 2.698     .  0 0 "[    .    1    .    2]" 1 
       395 1 28 ASP H    1 28 ASP QB   2.510 . 3.220 2.794 2.405 3.061     .  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              25
    _Distance_constraint_stats_list.Viol_count                    25
    _Distance_constraint_stats_list.Viol_total                    12.288
    _Distance_constraint_stats_list.Viol_max                      0.062
    _Distance_constraint_stats_list.Viol_rms                      0.0065
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0012
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0246
    _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 GLY 0.008 0.005  3 0 "[    .    1    .    2]" 
       1  2 PHE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  4 TRP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  7 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  9 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 10 PRO 0.224 0.049  4 0 "[    .    1    .    2]" 
       1 12 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 13 THR 0.224 0.049  4 0 "[    .    1    .    2]" 
       1 15 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 17 PHE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 18 PRO 0.383 0.062 17 0 "[    .    1    .    2]" 
       1 21 LEU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 22 GLY 0.383 0.062 17 0 "[    .    1    .    2]" 
       1 24 GLN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 26 PHE 0.008 0.005  3 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 GLY N 1 26 PHE O 0.000 . 3.300 3.269 3.212 3.305 0.005  3 0 "[    .    1    .    2]" 2 
        2 1  2 PHE H 1  9 VAL O 0.000 . 2.300 1.898 1.755 2.060     .  0 0 "[    .    1    .    2]" 2 
        3 1  2 PHE N 1  9 VAL O 0.000 . 3.300 2.846 2.721 2.997     .  0 0 "[    .    1    .    2]" 2 
        4 1  4 TRP H 1  7 SER O 0.000 . 2.300 2.055 1.748 2.284     .  0 0 "[    .    1    .    2]" 2 
        5 1  4 TRP N 1  7 SER O 0.000 . 3.300 2.866 2.687 2.971     .  0 0 "[    .    1    .    2]" 2 
        6 1  4 TRP O 1  7 SER H 0.000 . 2.300 1.946 1.864 2.073     .  0 0 "[    .    1    .    2]" 2 
        7 1  4 TRP O 1  7 SER N 0.000 . 3.300 2.837 2.776 2.909     .  0 0 "[    .    1    .    2]" 2 
        8 1  2 PHE O 1  9 VAL H 0.000 . 2.300 1.748 1.716 1.781     .  0 0 "[    .    1    .    2]" 2 
        9 1  2 PHE O 1  9 VAL N 0.000 . 3.300 2.718 2.684 2.746     .  0 0 "[    .    1    .    2]" 2 
       10 1 12 GLY H 1 26 PHE O 0.000 . 2.300 1.809 1.702 1.992     .  0 0 "[    .    1    .    2]" 2 
       11 1 12 GLY N 1 26 PHE O 0.000 . 3.300 2.766 2.680 2.925     .  0 0 "[    .    1    .    2]" 2 
       12 1 10 PRO O 1 13 THR H 0.000 . 2.300 2.271 2.149 2.349 0.049  4 0 "[    .    1    .    2]" 2 
       13 1 10 PRO O 1 13 THR N 0.000 . 3.300 3.154 3.061 3.240     .  0 0 "[    .    1    .    2]" 2 
       14 1 15 ALA H 1 24 GLN O 0.000 . 2.300 1.996 1.887 2.051     .  0 0 "[    .    1    .    2]" 2 
       15 1 15 ALA N 1 24 GLN O 0.000 . 3.300 2.905 2.807 2.959     .  0 0 "[    .    1    .    2]" 2 
       16 1 17 PHE H 1 22 GLY O 0.000 . 2.300 1.744 1.699 1.819     .  0 0 "[    .    1    .    2]" 2 
       17 1 17 PHE N 1 22 GLY O 0.000 . 3.300 2.714 2.679 2.781     .  0 0 "[    .    1    .    2]" 2 
       18 1 18 PRO O 1 21 LEU H 0.000 . 2.300 1.913 1.842 2.039     .  0 0 "[    .    1    .    2]" 2 
       19 1 18 PRO O 1 21 LEU N 0.000 . 3.300 2.774 2.739 2.815     .  0 0 "[    .    1    .    2]" 2 
       20 1 18 PRO O 1 22 GLY H 0.000 . 2.300 2.285 2.109 2.362 0.062 17 0 "[    .    1    .    2]" 2 
       21 1 18 PRO O 1 22 GLY N 0.000 . 3.300 3.225 3.057 3.298     .  0 0 "[    .    1    .    2]" 2 
       22 1 15 ALA O 1 24 GLN H 0.000 . 2.300 1.954 1.845 2.179     .  0 0 "[    .    1    .    2]" 2 
       23 1 15 ALA O 1 24 GLN N 0.000 . 3.300 2.882 2.779 3.074     .  0 0 "[    .    1    .    2]" 2 
       24 1 13 THR O 1 26 PHE H 0.000 . 2.300 1.887 1.779 2.064     .  0 0 "[    .    1    .    2]" 2 
       25 1 13 THR O 1 26 PHE N 0.000 . 3.300 2.797 2.721 2.909     .  0 0 "[    .    1    .    2]" 2 
    stop_

save_



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