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
597900 2mw0 25293 cing 4-filtered-FRED Wattos check violation distance


data_2mw0


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              420
    _Distance_constraint_stats_list.Viol_count                    579
    _Distance_constraint_stats_list.Viol_total                    251.453
    _Distance_constraint_stats_list.Viol_max                      0.246
    _Distance_constraint_stats_list.Viol_rms                      0.0121
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0015
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0217
    _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 SER 0.966 0.109 18 0 "[    .    1    .    2]" 
       1  2 TRP 1.308 0.084 17 0 "[    .    1    .    2]" 
       1  3 PRO 1.038 0.084 17 0 "[    .    1    .    2]" 
       1  4 ILE 0.457 0.083 17 0 "[    .    1    .    2]" 
       1  5 CYS 0.855 0.038  5 0 "[    .    1    .    2]" 
       1  6 LYS 0.930 0.045  7 0 "[    .    1    .    2]" 
       1  7 ARG 5.029 0.246 13 0 "[    .    1    .    2]" 
       1  8 ASN 4.584 0.246 13 0 "[    .    1    .    2]" 
       1  9 GLY 0.097 0.011 18 0 "[    .    1    .    2]" 
       1 10 LEU 0.936 0.043 18 0 "[    .    1    .    2]" 
       1 11 PRO 0.115 0.013  5 0 "[    .    1    .    2]" 
       1 12 VAL 1.197 0.043 18 0 "[    .    1    .    2]" 
       1 13 CYS 0.536 0.041 19 0 "[    .    1    .    2]" 
       1 14 GLY 0.174 0.035 18 0 "[    .    1    .    2]" 
       1 15 GLU 0.675 0.038  5 0 "[    .    1    .    2]" 
       1 16 THR 0.324 0.019 20 0 "[    .    1    .    2]" 
       1 17 CYS 0.482 0.036 19 0 "[    .    1    .    2]" 
       1 18 THR 0.481 0.035 12 0 "[    .    1    .    2]" 
       1 19 LEU 0.270 0.036 19 0 "[    .    1    .    2]" 
       1 20 GLY 0.724 0.035 12 0 "[    .    1    .    2]" 
       1 21 THR 0.420 0.027 14 0 "[    .    1    .    2]" 
       1 22 CYS 0.162 0.033 12 0 "[    .    1    .    2]" 
       1 23 SER 0.214 0.029 12 0 "[    .    1    .    2]" 
       1 24 THR 0.686 0.049 19 0 "[    .    1    .    2]" 
       1 25 GLN 0.154 0.032 20 0 "[    .    1    .    2]" 
       1 26 GLY 0.074 0.028 18 0 "[    .    1    .    2]" 
       1 27 CYS 1.001 0.079 15 0 "[    .    1    .    2]" 
       1 28 THR 1.092 0.109 18 0 "[    .    1    .    2]" 
       1 29 CYS 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 23 SER H    1 24 THR H    . . 3.290 2.529 2.193 2.623     .  0 0 "[    .    1    .    2]" 1 
         2 1  1 SER H1   1  2 TRP H    . . 4.000 3.455 2.562 3.533     .  0 0 "[    .    1    .    2]" 1 
         3 1  6 LYS H    1 28 THR H    . . 3.290 3.012 2.787 3.210     .  0 0 "[    .    1    .    2]" 1 
         4 1  1 SER H1   1  6 LYS H    . . 4.200 3.031 2.829 3.566     .  0 0 "[    .    1    .    2]" 1 
         5 1  6 LYS H    1  6 LYS QG   . . 4.450 3.920 3.722 4.053     .  0 0 "[    .    1    .    2]" 1 
         6 1  6 LYS H    1  6 LYS HD2  . . 3.900 3.682 3.304 3.917 0.017 19 0 "[    .    1    .    2]" 1 
         7 1  6 LYS H    1  6 LYS QB   . . 3.440 2.697 2.619 2.782     .  0 0 "[    .    1    .    2]" 1 
         8 1  6 LYS H    1  7 ARG H    . . 4.960 4.258 4.145 4.341     .  0 0 "[    .    1    .    2]" 1 
         9 1  7 ARG H    1  8 ASN H    . . 3.660 2.817 2.501 2.979     .  0 0 "[    .    1    .    2]" 1 
        10 1  7 ARG H    1 10 LEU H    . . 4.220 3.362 3.156 3.485     .  0 0 "[    .    1    .    2]" 1 
        11 1  5 CYS H    1  6 LYS H    . . 4.750 4.437 4.368 4.524     .  0 0 "[    .    1    .    2]" 1 
        12 1 27 CYS H    1 28 THR H    . . 4.660 4.538 4.393 4.629     .  0 0 "[    .    1    .    2]" 1 
        13 1 26 GLY H    1 27 CYS H    . . 4.700 2.165 1.889 2.446     .  0 0 "[    .    1    .    2]" 1 
        14 1  8 ASN H    1  9 GLY H    . . 4.350 2.678 2.359 2.870     .  0 0 "[    .    1    .    2]" 1 
        15 1  9 GLY H    1 10 LEU H    . . 4.500 2.289 2.153 2.461     .  0 0 "[    .    1    .    2]" 1 
        16 1 20 GLY H    1 21 THR H    . . 3.950 2.530 2.326 2.650     .  0 0 "[    .    1    .    2]" 1 
        17 1 12 VAL H    1 13 CYS H    . . 3.440 2.130 1.898 2.507     .  0 0 "[    .    1    .    2]" 1 
        18 1  4 ILE H    1  5 CYS H    . . 5.240 4.647 4.631 4.648     .  0 0 "[    .    1    .    2]" 1 
        19 1 18 THR H    1 21 THR H    . . 5.500 4.544 4.406 4.676     .  0 0 "[    .    1    .    2]" 1 
        20 1  2 TRP HD1  1 20 GLY H    . . 4.740 2.503 2.327 2.658     .  0 0 "[    .    1    .    2]" 1 
        21 1  2 TRP H    1  2 TRP HD1  . . 5.500 4.965 4.950 5.157     .  0 0 "[    .    1    .    2]" 1 
        22 1  2 TRP HD1  1 18 THR H    . . 5.500 4.623 4.514 4.714     .  0 0 "[    .    1    .    2]" 1 
        23 1 23 SER H    1 23 SER QB   . . 3.490 2.258 2.054 2.677     .  0 0 "[    .    1    .    2]" 1 
        24 1 22 CYS HA   1 23 SER H    . . 3.450 2.394 2.225 2.705     .  0 0 "[    .    1    .    2]" 1 
        25 1 22 CYS HB3  1 23 SER H    . . 3.930 2.552 1.947 2.927     .  0 0 "[    .    1    .    2]" 1 
        26 1 22 CYS HB2  1 23 SER H    . . 4.330 3.747 3.086 4.053     .  0 0 "[    .    1    .    2]" 1 
        27 1 22 CYS H    1 22 CYS HB2  . . 4.110 2.413 2.069 2.572     .  0 0 "[    .    1    .    2]" 1 
        28 1 19 LEU H    1 21 THR MG   . . 5.090 3.809 3.748 4.116     .  0 0 "[    .    1    .    2]" 1 
        29 1 21 THR MG   1 22 CYS H    . . 5.340 4.075 3.996 4.222     .  0 0 "[    .    1    .    2]" 1 
        30 1 16 THR H    1 16 THR MG   . . 3.680 2.797 2.115 3.489     .  0 0 "[    .    1    .    2]" 1 
        31 1 18 THR HB   1 19 LEU H    . . 4.800 4.253 4.087 4.297     .  0 0 "[    .    1    .    2]" 1 
        32 1 21 THR HB   1 22 CYS H    . . 4.970 4.139 4.009 4.257     .  0 0 "[    .    1    .    2]" 1 
        33 1 21 THR HA   1 22 CYS H    . . 3.380 2.159 2.141 2.181     .  0 0 "[    .    1    .    2]" 1 
        34 1 23 SER QB   1 24 THR H    . . 3.870 3.046 2.228 3.899 0.029 12 0 "[    .    1    .    2]" 1 
        35 1 24 THR H    1 24 THR HB   . . 3.250 2.686 2.410 3.139     .  0 0 "[    .    1    .    2]" 1 
        36 1 24 THR H    1 24 THR MG   . . 4.200 2.258 2.084 2.459     .  0 0 "[    .    1    .    2]" 1 
        37 1 24 THR MG   1 25 GLN H    . . 3.420 2.920 2.575 3.098     .  0 0 "[    .    1    .    2]" 1 
        38 1  7 ARG H    1 12 VAL QG   . . 3.660 2.355 2.038 2.600     .  0 0 "[    .    1    .    2]" 1 
        39 1 25 GLN H    1 25 GLN HB3  . . 3.910 3.361 2.538 3.942 0.032 20 0 "[    .    1    .    2]" 1 
        40 1 25 GLN H    1 25 GLN HB2  . . 3.910 2.891 2.348 3.680     .  0 0 "[    .    1    .    2]" 1 
        41 1 24 THR HA   1 25 GLN H    . . 3.340 2.735 2.507 3.302     .  0 0 "[    .    1    .    2]" 1 
        42 1 24 THR HB   1 25 GLN H    . . 5.140 3.830 3.559 4.391     .  0 0 "[    .    1    .    2]" 1 
        43 1  1 SER H1   1  1 SER HB3  . . 3.590 2.696 2.532 2.830     .  0 0 "[    .    1    .    2]" 1 
        44 1  1 SER H1   1  1 SER HB2  . . 3.510 2.550 2.454 2.739     .  0 0 "[    .    1    .    2]" 1 
        45 1  1 SER H1   1 29 CYS HA   . . 2.800 2.380 2.211 2.436     .  0 0 "[    .    1    .    2]" 1 
        46 1  1 SER H1   1  2 TRP HA   . . 4.780 4.800 4.785 4.833 0.053 18 0 "[    .    1    .    2]" 1 
        47 1  1 SER HB3  1  2 TRP H    . . 4.440 4.269 2.502 4.411     .  0 0 "[    .    1    .    2]" 1 
        48 1  1 SER HB2  1  2 TRP H    . . 4.740 4.605 3.719 4.657     .  0 0 "[    .    1    .    2]" 1 
        49 1  3 PRO HA   1 17 CYS H    . . 5.090 3.918 3.676 4.021     .  0 0 "[    .    1    .    2]" 1 
        50 1  2 TRP H    1  2 TRP QB   . . 3.190 2.299 2.261 2.983     .  0 0 "[    .    1    .    2]" 1 
        51 1  3 PRO HD3  1  4 ILE H    . . 3.860 3.845 3.836 3.881 0.021 17 0 "[    .    1    .    2]" 1 
        52 1 13 CYS H    1 13 CYS HB2  . . 3.740 2.744 2.667 2.883     .  0 0 "[    .    1    .    2]" 1 
        53 1 18 THR H    1 18 THR HB   . . 3.990 3.644 3.581 3.687     .  0 0 "[    .    1    .    2]" 1 
        54 1  1 SER H1   1 29 CYS HB3  . . 4.690 3.945 3.764 4.067     .  0 0 "[    .    1    .    2]" 1 
        55 1  1 SER H1   1 29 CYS HB2  . . 4.690 4.494 4.429 4.576     .  0 0 "[    .    1    .    2]" 1 
        56 1 15 GLU H    1 15 GLU HG3  . . 4.440 3.024 2.270 3.671     .  0 0 "[    .    1    .    2]" 1 
        57 1 15 GLU H    1 15 GLU HG2  . . 4.440 2.383 1.995 3.177     .  0 0 "[    .    1    .    2]" 1 
        58 1 15 GLU QB   1 16 THR H    . . 3.840 3.032 2.276 3.848 0.008 20 0 "[    .    1    .    2]" 1 
        59 1 15 GLU H    1 15 GLU QB   . . 3.720 3.157 3.047 3.288     .  0 0 "[    .    1    .    2]" 1 
        60 1 15 GLU HA   1 16 THR H    . . 2.920 2.390 2.309 2.518     .  0 0 "[    .    1    .    2]" 1 
        61 1 16 THR H    1 16 THR HB   . . 3.930 3.698 3.609 3.839     .  0 0 "[    .    1    .    2]" 1 
        62 1 16 THR HB   1 17 CYS H    . . 3.600 3.595 3.327 3.619 0.019 20 0 "[    .    1    .    2]" 1 
        63 1 16 THR HA   1 17 CYS H    . . 2.960 2.148 2.143 2.150     .  0 0 "[    .    1    .    2]" 1 
        64 1 17 CYS HA   1 18 THR H    . . 3.470 2.194 2.171 2.213     .  0 0 "[    .    1    .    2]" 1 
        65 1 17 CYS H    1 17 CYS HB2  . . 4.070 3.621 3.601 3.657     .  0 0 "[    .    1    .    2]" 1 
        66 1 17 CYS HB2  1 21 THR H    . . 4.040 2.119 1.999 2.234     .  0 0 "[    .    1    .    2]" 1 
        67 1 17 CYS HB3  1 21 THR H    . . 4.260 3.426 3.255 3.555     .  0 0 "[    .    1    .    2]" 1 
        68 1  5 CYS H    1  5 CYS HB2  . . 3.110 2.444 2.260 2.522     .  0 0 "[    .    1    .    2]" 1 
        69 1 11 PRO HA   1 12 VAL H    . . 3.030 2.463 2.449 2.494     .  0 0 "[    .    1    .    2]" 1 
        70 1  6 LYS HA   1 12 VAL H    . . 3.990 3.216 3.011 3.377     .  0 0 "[    .    1    .    2]" 1 
        71 1 11 PRO HA   1 13 CYS H    . . 4.280 3.395 3.205 3.593     .  0 0 "[    .    1    .    2]" 1 
        72 1 21 THR H    1 21 THR HB   . . 3.960 3.658 3.626 3.717     .  0 0 "[    .    1    .    2]" 1 
        73 1  4 ILE HA   1  5 CYS H    . . 2.860 2.330 2.277 2.336     .  0 0 "[    .    1    .    2]" 1 
        74 1 24 THR HB   1 27 CYS H    . . 5.500 5.224 4.807 5.549 0.049 19 0 "[    .    1    .    2]" 1 
        75 1  5 CYS H    1 16 THR HA   . . 3.750 3.409 3.106 3.625     .  0 0 "[    .    1    .    2]" 1 
        76 1 21 THR H    1 21 THR MG   . . 3.680 2.656 2.612 2.681     .  0 0 "[    .    1    .    2]" 1 
        77 1  5 CYS H    1  5 CYS HB3  . . 3.880 3.508 3.256 3.581     .  0 0 "[    .    1    .    2]" 1 
        78 1 22 CYS HB2  1 27 CYS H    . . 4.650 3.828 3.474 4.266     .  0 0 "[    .    1    .    2]" 1 
        79 1 27 CYS H    1 27 CYS HB3  . . 3.910 3.613 3.520 3.844     .  0 0 "[    .    1    .    2]" 1 
        80 1  5 CYS HB2  1  6 LYS H    . . 4.530 4.280 4.164 4.394     .  0 0 "[    .    1    .    2]" 1 
        81 1  5 CYS HB3  1  6 LYS H    . . 3.980 3.152 2.933 3.362     .  0 0 "[    .    1    .    2]" 1 
        82 1  5 CYS HA   1  6 LYS H    . . 2.800 2.210 2.168 2.259     .  0 0 "[    .    1    .    2]" 1 
        83 1  6 LYS QB   1  7 ARG H    . . 5.500 3.077 2.889 3.323     .  0 0 "[    .    1    .    2]" 1 
        84 1  7 ARG H    1  7 ARG HB3  . . 3.560 2.384 2.306 2.453     .  0 0 "[    .    1    .    2]" 1 
        85 1  7 ARG H    1  7 ARG HB2  . . 3.510 2.765 2.654 2.946     .  0 0 "[    .    1    .    2]" 1 
        86 1  7 ARG H    1  7 ARG HG2  . . 4.690 4.488 4.370 4.649     .  0 0 "[    .    1    .    2]" 1 
        87 1  7 ARG H    1  7 ARG HG3  . . 4.690 4.382 4.244 4.442     .  0 0 "[    .    1    .    2]" 1 
        88 1  6 LYS HA   1  7 ARG H    . . 2.890 2.192 2.146 2.251     .  0 0 "[    .    1    .    2]" 1 
        89 1  7 ARG H    1 12 VAL H    . . 4.030 3.536 3.282 3.779     .  0 0 "[    .    1    .    2]" 1 
        90 1 12 VAL H    1 12 VAL QG   . . 2.750 2.037 1.960 2.133     .  0 0 "[    .    1    .    2]" 1 
        91 1 10 LEU HB3  1 12 VAL H    . . 4.770 4.723 4.596 4.783 0.013 15 0 "[    .    1    .    2]" 1 
        92 1 10 LEU HB2  1 12 VAL H    . . 4.560 4.196 4.122 4.228     .  0 0 "[    .    1    .    2]" 1 
        93 1 11 PRO QD   1 12 VAL H    . . 4.510 4.388 4.344 4.409     .  0 0 "[    .    1    .    2]" 1 
        94 1 11 PRO HB3  1 12 VAL H    . . 4.650 4.582 4.574 4.598     .  0 0 "[    .    1    .    2]" 1 
        95 1  6 LYS HD2  1 12 VAL H    . . 5.470 5.484 5.470 5.506 0.036  7 0 "[    .    1    .    2]" 1 
        96 1 10 LEU MD1  1 12 VAL H    . . 5.500 5.519 5.507 5.535 0.035 13 0 "[    .    1    .    2]" 1 
        97 1 10 LEU H    1 10 LEU MD2  . . 4.410 4.293 4.122 4.350     .  0 0 "[    .    1    .    2]" 1 
        98 1  8 ASN H    1 10 LEU MD1  . . 4.900 3.907 3.712 4.105     .  0 0 "[    .    1    .    2]" 1 
        99 1 10 LEU H    1 10 LEU MD1  . . 5.110 3.535 3.391 3.881     .  0 0 "[    .    1    .    2]" 1 
       100 1 10 LEU H    1 10 LEU HB3  . . 3.920 3.851 3.825 3.891     .  0 0 "[    .    1    .    2]" 1 
       101 1 10 LEU H    1 10 LEU HG   . . 3.590 3.063 2.976 3.140     .  0 0 "[    .    1    .    2]" 1 
       102 1 10 LEU H    1 10 LEU HB2  . . 3.260 2.786 2.743 2.866     .  0 0 "[    .    1    .    2]" 1 
       103 1  4 ILE H    1  4 ILE MD   . . 4.320 2.542 2.471 3.008     .  0 0 "[    .    1    .    2]" 1 
       104 1  4 ILE H    1  4 ILE MG   . . 3.830 3.750 3.747 3.767     .  0 0 "[    .    1    .    2]" 1 
       105 1  4 ILE H    1  4 ILE HG12 . . 3.440 1.912 1.899 2.118     .  0 0 "[    .    1    .    2]" 1 
       106 1 18 THR H    1 18 THR MG   . . 4.250 3.299 3.230 3.380     .  0 0 "[    .    1    .    2]" 1 
       107 1  4 ILE H    1  4 ILE HG13 . . 3.830 3.489 3.476 3.639     .  0 0 "[    .    1    .    2]" 1 
       108 1  3 PRO HB2  1 17 CYS H    . . 4.440 4.269 4.011 4.448 0.008 15 0 "[    .    1    .    2]" 1 
       109 1  3 PRO HB2  1  4 ILE H    . . 3.570 3.148 3.034 3.623 0.053 17 0 "[    .    1    .    2]" 1 
       110 1  4 ILE H    1  4 ILE HB   . . 3.740 2.755 2.570 2.775     .  0 0 "[    .    1    .    2]" 1 
       111 1  4 ILE HB   1  5 CYS H    . . 4.100 3.614 3.589 3.793     .  0 0 "[    .    1    .    2]" 1 
       112 1 19 LEU QB   1 21 THR H    . . 4.490 4.293 4.242 4.354     .  0 0 "[    .    1    .    2]" 1 
       113 1  4 ILE MG   1  5 CYS H    . . 3.540 1.966 1.951 1.973     .  0 0 "[    .    1    .    2]" 1 
       114 1  5 CYS H    1  6 LYS HD2  . . 4.650 3.526 3.302 3.711     .  0 0 "[    .    1    .    2]" 1 
       115 1  4 ILE MG   1  6 LYS H    . . 4.740 4.507 4.355 4.603     .  0 0 "[    .    1    .    2]" 1 
       116 1  6 LYS H    1 28 THR MG   . . 5.500 4.707 3.347 5.501 0.001  8 0 "[    .    1    .    2]" 1 
       117 1 18 THR H    1 19 LEU HG   . . 4.800 2.724 2.689 2.789     .  0 0 "[    .    1    .    2]" 1 
       118 1  3 PRO HB3  1 18 THR HA   . . 4.220 4.167 3.861 4.231 0.011 17 0 "[    .    1    .    2]" 1 
       119 1  2 TRP HA   1  3 PRO HB3  . . 4.360 4.302 4.276 4.306     .  0 0 "[    .    1    .    2]" 1 
       120 1 12 VAL QG   1 13 CYS HB3  . . 4.570 4.410 4.251 4.591 0.021 17 0 "[    .    1    .    2]" 1 
       121 1  3 PRO HD2  1  4 ILE HG12 . . 3.900 3.203 3.148 3.267     .  0 0 "[    .    1    .    2]" 1 
       122 1  6 LYS HD2  1  9 GLY HA2  . . 5.500 5.463 5.326 5.507 0.007 12 0 "[    .    1    .    2]" 1 
       123 1  2 TRP QB   1  3 PRO HA   . . 3.480 3.305 3.297 3.366     .  0 0 "[    .    1    .    2]" 1 
       124 1 11 PRO QD   1 12 VAL QG   . . 3.730 3.621 3.557 3.693     .  0 0 "[    .    1    .    2]" 1 
       125 1 10 LEU HB3  1 11 PRO QD   . . 3.160 1.960 1.947 1.971     .  0 0 "[    .    1    .    2]" 1 
       126 1 10 LEU HB2  1 11 PRO QD   . . 3.760 3.397 3.367 3.428     .  0 0 "[    .    1    .    2]" 1 
       127 1 10 LEU HA   1 11 PRO QD   . . 2.570 2.084 2.081 2.087     .  0 0 "[    .    1    .    2]" 1 
       128 1  6 LYS QG   1 10 LEU HA   . . 3.750 2.789 2.661 2.890     .  0 0 "[    .    1    .    2]" 1 
       129 1  6 LYS QG   1 11 PRO HA   . . 3.890 2.447 2.280 2.561     .  0 0 "[    .    1    .    2]" 1 
       130 1 11 PRO HA   1 12 VAL QG   . . 3.810 3.747 3.719 3.786     .  0 0 "[    .    1    .    2]" 1 
       131 1 10 LEU HA   1 10 LEU MD2  . . 3.200 2.762 2.473 2.869     .  0 0 "[    .    1    .    2]" 1 
       132 1 17 CYS HA   1 19 LEU MD1  . . 3.580 3.045 2.973 3.232     .  0 0 "[    .    1    .    2]" 1 
       133 1 17 CYS HA   1 18 THR MG   . . 4.460 4.167 4.015 4.319     .  0 0 "[    .    1    .    2]" 1 
       134 1 24 THR MG   1 27 CYS HA   . . 4.790 3.886 3.682 3.999     .  0 0 "[    .    1    .    2]" 1 
       135 1  7 ARG HB3  1 27 CYS HA   . . 4.430 4.295 3.795 4.467 0.037 13 0 "[    .    1    .    2]" 1 
       136 1 28 THR H    1 28 THR MG   . . 4.070 3.210 2.241 3.974     .  0 0 "[    .    1    .    2]" 1 
       137 1 27 CYS HB3  1 28 THR H    . . 3.660 2.486 2.014 2.865     .  0 0 "[    .    1    .    2]" 1 
       138 1 28 THR H    1 28 THR HB   . . 3.920 3.380 3.131 3.934 0.014 16 0 "[    .    1    .    2]" 1 
       139 1 27 CYS HA   1 28 THR H    . . 2.850 2.394 2.249 2.605     .  0 0 "[    .    1    .    2]" 1 
       140 1 27 CYS H    1 27 CYS HB2  . . 3.090 2.399 2.231 2.767     .  0 0 "[    .    1    .    2]" 1 
       141 1 25 GLN H    1 26 GLY H    . . 4.130 3.557 2.616 4.135 0.005  6 0 "[    .    1    .    2]" 1 
       142 1  4 ILE HA   1 17 CYS H    . . 4.040 4.028 3.858 4.057 0.017 11 0 "[    .    1    .    2]" 1 
       143 1 10 LEU H    1 11 PRO QD   . . 4.340 4.335 4.319 4.347 0.007 20 0 "[    .    1    .    2]" 1 
       144 1 22 CYS HB3  1 24 THR H    . . 3.980 2.751 2.294 3.333     .  0 0 "[    .    1    .    2]" 1 
       145 1 22 CYS HB2  1 24 THR H    . . 4.930 3.719 2.942 4.789     .  0 0 "[    .    1    .    2]" 1 
       146 1 27 CYS HB2  1 28 THR H    . . 4.370 3.814 3.476 4.064     .  0 0 "[    .    1    .    2]" 1 
       147 1  5 CYS HB3  1 28 THR H    . . 4.980 4.576 4.177 4.961     .  0 0 "[    .    1    .    2]" 1 
       148 1 22 CYS HB2  1 28 THR H    . . 5.500 4.777 4.240 5.068     .  0 0 "[    .    1    .    2]" 1 
       149 1  6 LYS H    1 27 CYS HB3  . . 4.240 3.543 3.177 3.823     .  0 0 "[    .    1    .    2]" 1 
       150 1 27 CYS HA   1 28 THR HB   . . 5.460 5.093 4.359 5.539 0.079 15 0 "[    .    1    .    2]" 1 
       151 1  6 LYS QG   1 12 VAL H    . . 4.830 3.193 3.097 3.437     .  0 0 "[    .    1    .    2]" 1 
       152 1 12 VAL QG   1 13 CYS H    . . 4.020 2.693 2.060 3.371     .  0 0 "[    .    1    .    2]" 1 
       153 1 19 LEU H    1 21 THR H    . . 5.250 3.054 2.991 3.449     .  0 0 "[    .    1    .    2]" 1 
       154 1  5 CYS H    1 17 CYS H    . . 4.630 4.488 4.324 4.612     .  0 0 "[    .    1    .    2]" 1 
       155 1 19 LEU QB   1 20 GLY H    . . 4.310 3.826 3.595 3.861     .  0 0 "[    .    1    .    2]" 1 
       156 1 20 GLY H    1 21 THR MG   . . 4.630 3.836 3.606 3.906     .  0 0 "[    .    1    .    2]" 1 
       157 1 19 LEU MD1  1 20 GLY H    . . 4.130 2.988 2.397 3.114     .  0 0 "[    .    1    .    2]" 1 
       158 1 19 LEU HG   1 20 GLY H    . . 4.490 4.349 3.845 4.433     .  0 0 "[    .    1    .    2]" 1 
       159 1 17 CYS HB3  1 20 GLY H    . . 5.450 4.950 4.333 5.144     .  0 0 "[    .    1    .    2]" 1 
       160 1 17 CYS HB2  1 20 GLY H    . . 4.350 3.275 2.638 3.463     .  0 0 "[    .    1    .    2]" 1 
       161 1  1 SER H1   1  4 ILE MG   . . 4.730 4.536 4.379 4.783 0.053 17 0 "[    .    1    .    2]" 1 
       162 1  1 SER H1   1  6 LYS HD2  . . 4.320 3.866 3.457 4.325 0.005 15 0 "[    .    1    .    2]" 1 
       163 1  1 SER H1   1 28 THR MG   . . 5.500 5.016 3.673 5.609 0.109 18 0 "[    .    1    .    2]" 1 
       164 1  1 SER H1   1  6 LYS QB   . . 4.680 3.174 2.819 3.489     .  0 0 "[    .    1    .    2]" 1 
       165 1  7 ARG H    1 10 LEU HB2  . . 5.220 4.818 4.570 5.014     .  0 0 "[    .    1    .    2]" 1 
       166 1  6 LYS QG   1  7 ARG H    . . 4.550 3.637 3.370 3.937     .  0 0 "[    .    1    .    2]" 1 
       167 1 13 CYS HB2  1 15 GLU H    . . 3.970 2.800 2.544 3.042     .  0 0 "[    .    1    .    2]" 1 
       168 1 19 LEU H    1 19 LEU HG   . . 5.480 2.557 2.187 2.612     .  0 0 "[    .    1    .    2]" 1 
       169 1  5 CYS H    1 14 GLY H    . . 5.500 4.882 4.541 5.222     .  0 0 "[    .    1    .    2]" 1 
       170 1  5 CYS H    1 16 THR H    . . 5.500 5.118 4.581 5.504 0.004 11 0 "[    .    1    .    2]" 1 
       171 1  7 ARG H    1 28 THR H    . . 5.220 4.130 3.797 4.314     .  0 0 "[    .    1    .    2]" 1 
       172 1 14 GLY H    1 15 GLU H    . . 4.630 2.806 2.582 2.913     .  0 0 "[    .    1    .    2]" 1 
       173 1  2 TRP HZ2  1 18 THR HA   . . 4.410 3.958 3.799 4.046     .  0 0 "[    .    1    .    2]" 1 
       174 1  2 TRP HZ2  1 18 THR HB   . . 5.190 5.151 4.946 5.202 0.012 12 0 "[    .    1    .    2]" 1 
       175 1  2 TRP HA   1  2 TRP HE3  . . 4.630 4.264 4.262 4.273     .  0 0 "[    .    1    .    2]" 1 
       176 1  2 TRP HA   1  2 TRP HD1  . . 3.900 3.466 3.421 3.473     .  0 0 "[    .    1    .    2]" 1 
       177 1  2 TRP HD1  1 18 THR HA   . . 3.850 3.490 3.394 3.569     .  0 0 "[    .    1    .    2]" 1 
       178 1  2 TRP HD1  1  3 PRO HA   . . 3.900 2.999 2.985 3.094     .  0 0 "[    .    1    .    2]" 1 
       179 1  2 TRP HE3  1  3 PRO HA   . . 4.570 4.156 4.152 4.165     .  0 0 "[    .    1    .    2]" 1 
       180 1  2 TRP HZ2  1  3 PRO HA   . . 5.250 4.937 4.929 4.972     .  0 0 "[    .    1    .    2]" 1 
       181 1  2 TRP HD1  1 20 GLY HA2  . . 4.890 2.898 2.628 3.036     .  0 0 "[    .    1    .    2]" 1 
       182 1  2 TRP HZ3  1  3 PRO HD3  . . 4.520 3.167 3.156 3.243     .  0 0 "[    .    1    .    2]" 1 
       183 1  5 CYS HB2  1 15 GLU H    . . 4.770 2.859 2.695 3.141     .  0 0 "[    .    1    .    2]" 1 
       184 1  2 TRP HD1  1 17 CYS HB2  . . 4.550 3.580 3.454 3.664     .  0 0 "[    .    1    .    2]" 1 
       185 1  2 TRP HE3  1  3 PRO HD2  . . 3.930 3.924 3.918 3.970 0.040 17 0 "[    .    1    .    2]" 1 
       186 1  2 TRP QB   1  2 TRP HE3  . . 3.300 2.674 2.654 2.678     .  0 0 "[    .    1    .    2]" 1 
       187 1  5 CYS HB3  1 15 GLU H    . . 4.880 3.758 3.297 4.028     .  0 0 "[    .    1    .    2]" 1 
       188 1  5 CYS H    1 13 CYS HB2  . . 5.060 4.297 3.948 4.715     .  0 0 "[    .    1    .    2]" 1 
       189 1  2 TRP HD1  1 20 GLY HA3  . . 4.890 4.386 4.036 4.527     .  0 0 "[    .    1    .    2]" 1 
       190 1  4 ILE MG   1 15 GLU H    . . 4.870 4.367 3.959 4.740     .  0 0 "[    .    1    .    2]" 1 
       191 1 15 GLU H    1 16 THR MG   . . 5.160 4.356 4.219 4.628     .  0 0 "[    .    1    .    2]" 1 
       192 1  2 TRP HE1  1  3 PRO HB2  . . 5.400 5.326 5.305 5.479 0.079 17 0 "[    .    1    .    2]" 1 
       193 1  2 TRP HE1  1  3 PRO HB3  . . 5.060 4.056 4.032 4.234     .  0 0 "[    .    1    .    2]" 1 
       194 1  2 TRP HE1  1  3 PRO HA   . . 5.060 3.696 3.685 3.770     .  0 0 "[    .    1    .    2]" 1 
       195 1  2 TRP HE1  1 18 THR HA   . . 3.630 1.947 1.936 1.955     .  0 0 "[    .    1    .    2]" 1 
       196 1  2 TRP HZ2  1  3 PRO HB3  . . 4.640 4.155 4.135 4.289     .  0 0 "[    .    1    .    2]" 1 
       197 1  2 TRP HE3  1  3 PRO HB3  . . 5.050 4.827 4.823 4.833     .  0 0 "[    .    1    .    2]" 1 
       198 1  2 TRP HD1  1  3 PRO HB3  . . 4.970 4.707 4.689 4.841     .  0 0 "[    .    1    .    2]" 1 
       199 1  2 TRP HH2  1  3 PRO HB3  . . 5.240 4.889 4.877 4.941     .  0 0 "[    .    1    .    2]" 1 
       200 1  2 TRP HZ3  1  3 PRO HB3  . . 5.150 5.183 5.176 5.191 0.041 14 0 "[    .    1    .    2]" 1 
       201 1  2 TRP HD1  1  3 PRO HB2  . . 5.450 5.412 5.395 5.534 0.084 17 0 "[    .    1    .    2]" 1 
       202 1  2 TRP HD1  1 18 THR MG   . . 5.240 4.841 4.706 4.962     .  0 0 "[    .    1    .    2]" 1 
       203 1  2 TRP HH2  1  3 PRO HG3  . . 5.410 5.234 5.214 5.379     .  0 0 "[    .    1    .    2]" 1 
       204 1  2 TRP HE3  1  3 PRO HG3  . . 5.210 5.201 5.196 5.217 0.007 17 0 "[    .    1    .    2]" 1 
       205 1  1 SER H1   1  5 CYS HA   . . 3.920 2.981 2.868 3.756     .  0 0 "[    .    1    .    2]" 1 
       206 1  7 ARG H    1 27 CYS HA   . . 4.260 4.190 3.806 4.277 0.017  6 0 "[    .    1    .    2]" 1 
       207 1  6 LYS H    1 27 CYS HA   . . 5.030 4.960 4.749 5.064 0.034 20 0 "[    .    1    .    2]" 1 
       208 1  6 LYS H    1 29 CYS HA   . . 4.160 3.132 2.794 3.340     .  0 0 "[    .    1    .    2]" 1 
       209 1  1 SER H1   1  2 TRP QB   . . 5.340 5.106 4.561 5.157     .  0 0 "[    .    1    .    2]" 1 
       210 1  5 CYS HB2  1 14 GLY H    . . 5.340 4.719 4.464 5.054     .  0 0 "[    .    1    .    2]" 1 
       211 1  5 CYS HB2  1 16 THR H    . . 5.500 4.428 4.180 4.689     .  0 0 "[    .    1    .    2]" 1 
       212 1  6 LYS QB   1 28 THR H    . . 4.820 4.334 4.255 4.559     .  0 0 "[    .    1    .    2]" 1 
       213 1 24 THR MG   1 27 CYS H    . . 4.700 2.343 1.979 2.713     .  0 0 "[    .    1    .    2]" 1 
       214 1  7 ARG QD   1 28 THR H    . . 5.500 4.719 3.368 5.502 0.002 13 0 "[    .    1    .    2]" 1 
       215 1 22 CYS HB3  1 28 THR H    . . 5.500 5.418 5.101 5.518 0.018 12 0 "[    .    1    .    2]" 1 
       216 1 24 THR H    1 27 CYS HB3  . . 5.500 5.481 5.286 5.531 0.031 20 0 "[    .    1    .    2]" 1 
       217 1  7 ARG HB3  1  8 ASN H    . . 5.390 2.094 1.975 2.512     .  0 0 "[    .    1    .    2]" 1 
       218 1  1 SER H1   1  6 LYS QG   . . 5.390 4.969 4.585 5.308     .  0 0 "[    .    1    .    2]" 1 
       219 1  7 ARG HB2  1 28 THR H    . . 5.500 4.367 3.577 4.721     .  0 0 "[    .    1    .    2]" 1 
       220 1 23 SER H    1 24 THR MG   . . 5.080 3.868 3.403 4.111     .  0 0 "[    .    1    .    2]" 1 
       221 1 15 GLU QB   1 23 SER H    . . 5.500 3.686 3.180 4.206     .  0 0 "[    .    1    .    2]" 1 
       222 1 23 SER H    1 24 THR HB   . . 5.030 4.615 3.741 4.946     .  0 0 "[    .    1    .    2]" 1 
       223 1 23 SER H    1 24 THR HA   . . 5.200 5.038 4.469 5.223 0.023  8 0 "[    .    1    .    2]" 1 
       224 1  2 TRP HE1  1 20 GLY H    . . 5.500 3.286 3.117 3.747     .  0 0 "[    .    1    .    2]" 1 
       225 1  1 SER H1   1 29 CYS H    . . 5.500 4.315 3.930 4.420     .  0 0 "[    .    1    .    2]" 1 
       226 1 10 LEU H    1 12 VAL H    . . 4.530 4.403 4.298 4.467     .  0 0 "[    .    1    .    2]" 1 
       227 1 13 CYS H    1 15 GLU H    . . 5.280 4.530 4.175 4.807     .  0 0 "[    .    1    .    2]" 1 
       228 1 18 THR HB   1 20 GLY H    . . 5.500 5.520 5.512 5.535 0.035 12 0 "[    .    1    .    2]" 1 
       229 1 20 GLY H    1 21 THR HB   . . 5.500 5.509 5.413 5.527 0.027 14 0 "[    .    1    .    2]" 1 
       230 1  1 SER HB2  1  6 LYS H    . . 5.360 4.837 4.540 5.393 0.033 17 0 "[    .    1    .    2]" 1 
       231 1  6 LYS H    1 13 CYS HB2  . . 5.330 4.637 4.415 4.894     .  0 0 "[    .    1    .    2]" 1 
       232 1  6 LYS H    1 28 THR HB   . . 5.500 4.894 3.821 5.545 0.045  7 0 "[    .    1    .    2]" 1 
       233 1 17 CYS HB2  1 18 THR H    . . 4.400 3.048 2.969 3.156     .  0 0 "[    .    1    .    2]" 1 
       234 1 12 VAL QG   1 28 THR H    . . 5.500 5.386 5.119 5.525 0.025  6 0 "[    .    1    .    2]" 1 
       235 1 24 THR MG   1 28 THR H    . . 5.340 5.034 4.785 5.195     .  0 0 "[    .    1    .    2]" 1 
       236 1 13 CYS HA   1 15 GLU H    . . 5.000 4.678 4.349 5.005 0.005 18 0 "[    .    1    .    2]" 1 
       237 1 15 GLU H    1 16 THR HA   . . 5.240 4.594 4.332 4.862     .  0 0 "[    .    1    .    2]" 1 
       238 1  5 CYS HA   1 15 GLU H    . . 5.500 5.519 5.474 5.538 0.038  5 0 "[    .    1    .    2]" 1 
       239 1  5 CYS H    1 29 CYS HA   . . 5.450 4.884 4.722 5.107     .  0 0 "[    .    1    .    2]" 1 
       240 1  5 CYS H    1 15 GLU H    . . 4.890 3.722 3.461 3.952     .  0 0 "[    .    1    .    2]" 1 
       241 1 17 CYS HA   1 21 THR H    . . 4.780 4.556 4.397 4.677     .  0 0 "[    .    1    .    2]" 1 
       242 1  7 ARG QD   1 27 CYS HA   . . 4.840 2.812 2.068 3.638     .  0 0 "[    .    1    .    2]" 1 
       243 1 13 CYS HB3  1 27 CYS HA   . . 5.500 5.444 5.275 5.518 0.018  4 0 "[    .    1    .    2]" 1 
       244 1  6 LYS QE   1 11 PRO HA   . . 4.700 2.864 2.082 4.148     .  0 0 "[    .    1    .    2]" 1 
       245 1  5 CYS HB3  1 27 CYS HA   . . 5.500 5.478 5.327 5.528 0.028 19 0 "[    .    1    .    2]" 1 
       246 1 22 CYS HB2  1 27 CYS HA   . . 5.500 4.970 4.609 5.198     .  0 0 "[    .    1    .    2]" 1 
       247 1  6 LYS HA   1  7 ARG HB2  . . 4.850 4.601 4.503 4.696     .  0 0 "[    .    1    .    2]" 1 
       248 1  6 LYS HA   1  6 LYS HD2  . . 3.840 3.580 3.440 3.693     .  0 0 "[    .    1    .    2]" 1 
       249 1  6 LYS HA   1  6 LYS QG   . . 3.580 2.123 2.056 2.255     .  0 0 "[    .    1    .    2]" 1 
       250 1 28 THR HA   1 28 THR MG   . . 3.290 2.481 2.000 3.206     .  0 0 "[    .    1    .    2]" 1 
       251 1 13 CYS HA   1 24 THR MG   . . 4.310 4.094 3.643 4.351 0.041 19 0 "[    .    1    .    2]" 1 
       252 1 16 THR HB   1 18 THR MG   . . 4.030 3.881 3.622 4.036 0.006 20 0 "[    .    1    .    2]" 1 
       253 1 24 THR HA   1 24 THR MG   . . 3.340 3.189 3.183 3.202     .  0 0 "[    .    1    .    2]" 1 
       254 1 18 THR HA   1 18 THR MG   . . 3.350 2.163 2.006 2.264     .  0 0 "[    .    1    .    2]" 1 
       255 1  1 SER HB3  1  4 ILE HG12 . . 5.010 4.638 4.418 4.787     .  0 0 "[    .    1    .    2]" 1 
       256 1 18 THR HA   1 19 LEU MD1  . . 5.070 4.512 4.471 4.687     .  0 0 "[    .    1    .    2]" 1 
       257 1 10 LEU MD1  1 11 PRO QD   . . 4.310 4.198 4.070 4.239     .  0 0 "[    .    1    .    2]" 1 
       258 1  6 LYS QG   1 11 PRO QD   . . 4.670 3.285 3.126 3.387     .  0 0 "[    .    1    .    2]" 1 
       259 1  1 SER HB3  1  6 LYS HD2  . . 3.910 2.996 2.572 3.405     .  0 0 "[    .    1    .    2]" 1 
       260 1  1 SER HB2  1  6 LYS HD2  . . 4.090 3.690 3.393 4.087     .  0 0 "[    .    1    .    2]" 1 
       261 1  1 SER HB2  1  6 LYS HD3  . . 3.980 2.677 2.191 3.600     .  0 0 "[    .    1    .    2]" 1 
       262 1  1 SER HB3  1  6 LYS HD3  . . 3.850 2.761 2.298 3.434     .  0 0 "[    .    1    .    2]" 1 
       263 1 18 THR HB   1 19 LEU HG   . . 4.650 4.232 4.030 4.535     .  0 0 "[    .    1    .    2]" 1 
       264 1  2 TRP HA   1  3 PRO HB2  . . 4.290 4.282 4.271 4.284     .  0 0 "[    .    1    .    2]" 1 
       265 1  3 PRO HB2  1 18 THR HA   . . 5.130 5.009 4.734 5.096     .  0 0 "[    .    1    .    2]" 1 
       266 1  1 SER HB3  1  4 ILE HB   . . 4.390 2.508 2.235 2.854     .  0 0 "[    .    1    .    2]" 1 
       267 1  6 LYS QB   1  9 GLY HA2  . . 5.500 2.484 2.336 2.621     .  0 0 "[    .    1    .    2]" 1 
       268 1  3 PRO HB2  1 16 THR HB   . . 3.810 2.559 2.129 2.926     .  0 0 "[    .    1    .    2]" 1 
       269 1  1 SER HB3  1  6 LYS QE   . . 4.360 3.633 2.600 4.362 0.002  8 0 "[    .    1    .    2]" 1 
       270 1  6 LYS QE   1 11 PRO QD   . . 4.470 3.095 2.621 3.395     .  0 0 "[    .    1    .    2]" 1 
       271 1 22 CYS HB3  1 27 CYS HB3  . . 4.080 3.509 3.086 3.779     .  0 0 "[    .    1    .    2]" 1 
       272 1 13 CYS HB3  1 27 CYS HB3  . . 4.320 3.588 3.368 3.759     .  0 0 "[    .    1    .    2]" 1 
       273 1 13 CYS HB3  1 15 GLU HG2  . . 4.530 2.323 1.999 2.855     .  0 0 "[    .    1    .    2]" 1 
       274 1  5 CYS HB2  1 15 GLU HG3  . . 4.590 2.528 1.989 2.859     .  0 0 "[    .    1    .    2]" 1 
       275 1 13 CYS HB2  1 15 GLU HG2  . . 4.560 2.665 2.303 3.334     .  0 0 "[    .    1    .    2]" 1 
       276 1 13 CYS HB3  1 24 THR HB   . . 4.620 4.568 4.071 4.648 0.028 19 0 "[    .    1    .    2]" 1 
       277 1 22 CYS HB3  1 27 CYS HB2  . . 3.570 2.699 2.431 3.155     .  0 0 "[    .    1    .    2]" 1 
       278 1 22 CYS HB3  1 23 SER QB   . . 4.530 4.370 4.126 4.554 0.024 12 0 "[    .    1    .    2]" 1 
       279 1  5 CYS HB2  1 14 GLY HA2  . . 5.500 5.370 5.031 5.535 0.035 18 0 "[    .    1    .    2]" 1 
       280 1  4 ILE HA   1 16 THR HA   . . 3.550 2.637 2.372 2.828     .  0 0 "[    .    1    .    2]" 1 
       281 1  2 TRP HA   1  3 PRO HA   . . 2.630 2.147 2.114 2.152     .  0 0 "[    .    1    .    2]" 1 
       282 1 13 CYS HB3  1 15 GLU H    . . 4.270 3.699 3.328 4.087     .  0 0 "[    .    1    .    2]" 1 
       283 1 25 GLN HA   1 27 CYS H    . . 4.150 3.981 3.645 4.159 0.009  9 0 "[    .    1    .    2]" 1 
       284 1 17 CYS H    1 17 CYS HB3  . . 3.540 2.747 2.689 2.865     .  0 0 "[    .    1    .    2]" 1 
       285 1  3 PRO HD2  1  4 ILE H    . . 4.130 2.676 2.650 2.720     .  0 0 "[    .    1    .    2]" 1 
       286 1 15 GLU HG2  1 16 THR H    . . 5.380 4.793 4.294 5.165     .  0 0 "[    .    1    .    2]" 1 
       287 1  6 LYS QB   1 10 LEU H    . . 4.670 2.463 2.010 2.941     .  0 0 "[    .    1    .    2]" 1 
       288 1  2 TRP HZ2  1 18 THR MG   . . 4.310 3.917 3.720 4.091     .  0 0 "[    .    1    .    2]" 1 
       289 1  6 LYS HD2  1 11 PRO HA   . . 4.460 4.133 4.050 4.188     .  0 0 "[    .    1    .    2]" 1 
       290 1 10 LEU HA   1 10 LEU HG   . . 3.760 2.817 2.780 3.000     .  0 0 "[    .    1    .    2]" 1 
       291 1  7 ARG HB2  1 27 CYS HA   . . 3.950 2.856 2.245 3.092     .  0 0 "[    .    1    .    2]" 1 
       292 1 19 LEU HA   1 19 LEU HG   . . 4.190 3.440 3.425 3.497     .  0 0 "[    .    1    .    2]" 1 
       293 1  3 PRO HG2  1  4 ILE HA   . . 4.980 4.070 4.058 4.217     .  0 0 "[    .    1    .    2]" 1 
       294 1  9 GLY HA3  1 10 LEU HG   . . 4.420 3.603 3.512 3.660     .  0 0 "[    .    1    .    2]" 1 
       295 1 22 CYS HB3  1 24 THR HB   . . 5.420 4.467 4.015 5.043     .  0 0 "[    .    1    .    2]" 1 
       296 1 24 THR MG   1 27 CYS HB2  . . 4.210 1.982 1.919 2.019     .  0 0 "[    .    1    .    2]" 1 
       297 1  6 LYS HD2  1 11 PRO QD   . . 5.390 5.295 5.112 5.394 0.004 20 0 "[    .    1    .    2]" 1 
       298 1 22 CYS HB2  1 27 CYS HB2  . . 3.680 2.807 2.436 3.385     .  0 0 "[    .    1    .    2]" 1 
       299 1  5 CYS HB3  1 27 CYS HB2  . . 4.330 4.045 3.775 4.332 0.002  7 0 "[    .    1    .    2]" 1 
       300 1 13 CYS HB3  1 24 THR MG   . . 4.050 2.999 2.768 3.393     .  0 0 "[    .    1    .    2]" 1 
       301 1 22 CYS HB3  1 24 THR MG   . . 4.340 2.624 2.369 2.967     .  0 0 "[    .    1    .    2]" 1 
       302 1  7 ARG HB2  1  7 ARG QD   . . 3.250 2.130 1.973 2.374     .  0 0 "[    .    1    .    2]" 1 
       303 1  7 ARG HB3  1  7 ARG QD   . . 3.410 3.112 2.772 3.410     . 16 0 "[    .    1    .    2]" 1 
       304 1  5 CYS HB2  1 15 GLU QB   . . 4.440 3.866 3.023 4.261     .  0 0 "[    .    1    .    2]" 1 
       305 1 15 GLU QB   1 22 CYS HB3  . . 5.090 4.679 4.202 5.123 0.033 12 0 "[    .    1    .    2]" 1 
       306 1  4 ILE HB   1  6 LYS QE   . . 3.920 3.319 2.429 3.872     .  0 0 "[    .    1    .    2]" 1 
       307 1  6 LYS QB   1  6 LYS QE   . . 4.260 3.664 3.515 3.748     .  0 0 "[    .    1    .    2]" 1 
       308 1  4 ILE HG13 1  6 LYS QE   . . 4.110 3.805 3.385 4.114 0.004  5 0 "[    .    1    .    2]" 1 
       309 1  5 CYS HB3  1 27 CYS HB3  . . 3.210 3.000 2.812 3.125     .  0 0 "[    .    1    .    2]" 1 
       310 1 17 CYS HB2  1 19 LEU HG   . . 4.390 4.365 4.029 4.426 0.036 19 0 "[    .    1    .    2]" 1 
       311 1  6 LYS QB   1  6 LYS HD2  . . 2.810 2.608 2.352 2.810 0.000  7 0 "[    .    1    .    2]" 1 
       312 1 19 LEU QB   1 19 LEU MD1  . . 2.870 2.248 2.206 2.279     .  0 0 "[    .    1    .    2]" 1 
       313 1 19 LEU QB   1 19 LEU MD2  . . 3.030 2.073 2.047 2.095     .  0 0 "[    .    1    .    2]" 1 
       314 1  6 LYS QE   1 11 PRO HB3  . . 3.950 2.874 2.410 3.896     .  0 0 "[    .    1    .    2]" 1 
       315 1  4 ILE MG   1  6 LYS QE   . . 3.550 1.988 1.869 2.638     .  0 0 "[    .    1    .    2]" 1 
       316 1  5 CYS HB3  1  6 LYS QG   . . 5.250 5.167 5.000 5.261 0.011 15 0 "[    .    1    .    2]" 1 
       317 1  6 LYS QG   1 11 PRO HB2  . . 4.860 4.812 4.618 4.869 0.009 17 0 "[    .    1    .    2]" 1 
       318 1  4 ILE MD   1 16 THR MG   . . 3.150 1.994 1.723 2.289     .  0 0 "[    .    1    .    2]" 1 
       319 1 10 LEU HB3  1 12 VAL QG   . . 2.920 2.936 2.900 2.963 0.043 18 0 "[    .    1    .    2]" 1 
       320 1  4 ILE HG13 1  4 ILE MG   . . 3.290 2.224 2.196 2.231     .  0 0 "[    .    1    .    2]" 1 
       321 1  4 ILE MG   1  6 LYS HD2  . . 3.450 1.969 1.957 1.976     .  0 0 "[    .    1    .    2]" 1 
       322 1 10 LEU HB3  1 10 LEU MD2  . . 3.110 1.986 1.959 2.115     .  0 0 "[    .    1    .    2]" 1 
       323 1 10 LEU HB3  1 10 LEU MD1  . . 3.220 2.769 2.656 2.824     .  0 0 "[    .    1    .    2]" 1 
       324 1  4 ILE MG   1 16 THR MG   . . 3.260 3.129 2.789 3.278 0.018  4 0 "[    .    1    .    2]" 1 
       325 1 10 LEU HB2  1 10 LEU MD1  . . 3.170 1.967 1.954 2.036     .  0 0 "[    .    1    .    2]" 1 
       326 1  6 LYS QG   1 11 PRO HB3  . . 3.950 3.901 3.684 3.963 0.013  5 0 "[    .    1    .    2]" 1 
       327 1  4 ILE MG   1  5 CYS HB2  . . 4.420 3.969 3.813 4.073     .  0 0 "[    .    1    .    2]" 1 
       328 1  7 ARG QD   1 12 VAL QG   . . 4.640 3.701 2.993 4.561     .  0 0 "[    .    1    .    2]" 1 
       329 1 10 LEU MD2  1 11 PRO QD   . . 3.370 2.653 2.529 2.761     .  0 0 "[    .    1    .    2]" 1 
       330 1  4 ILE HA   1  4 ILE MG   . . 3.360 2.262 2.254 2.274     .  0 0 "[    .    1    .    2]" 1 
       331 1  4 ILE HA   1  4 ILE MD   . . 3.720 2.091 1.976 2.150     .  0 0 "[    .    1    .    2]" 1 
       332 1  1 SER HB3  1  4 ILE MG   . . 3.760 3.290 3.023 3.843 0.083 17 0 "[    .    1    .    2]" 1 
       333 1 19 LEU MD1  1 21 THR HB   . . 3.910 3.912 3.842 3.928 0.018 14 0 "[    .    1    .    2]" 1 
       334 1  9 GLY HA3  1 10 LEU MD2  . . 4.750 4.704 4.244 4.761 0.011 18 0 "[    .    1    .    2]" 1 
       335 1 12 VAL QG   1 13 CYS HA   . . 3.780 3.470 3.112 3.798 0.018 19 0 "[    .    1    .    2]" 1 
       336 1 19 LEU HA   1 19 LEU MD1  . . 3.620 3.535 3.519 3.561     .  0 0 "[    .    1    .    2]" 1 
       337 1 12 VAL HA   1 12 VAL QG   . . 3.020 2.344 2.304 2.368     .  0 0 "[    .    1    .    2]" 1 
       338 1  6 LYS HA   1 12 VAL QG   . . 4.090 3.295 3.077 3.535     .  0 0 "[    .    1    .    2]" 1 
       339 1 10 LEU HA   1 12 VAL QG   . . 4.580 4.110 4.083 4.152     .  0 0 "[    .    1    .    2]" 1 
       340 1  4 ILE MG   1 11 PRO HA   . . 5.190 4.012 3.486 4.396     .  0 0 "[    .    1    .    2]" 1 
       341 1 10 LEU HA   1 10 LEU MD1  . . 4.250 3.928 3.915 3.971     .  0 0 "[    .    1    .    2]" 1 
       342 1 27 CYS HA   1 28 THR MG   . . 4.980 4.254 3.039 4.982 0.002 17 0 "[    .    1    .    2]" 1 
       343 1 16 THR HA   1 16 THR MG   . . 3.440 2.196 2.036 2.328     .  0 0 "[    .    1    .    2]" 1 
       344 1  8 ASN H    1 12 VAL QG   . . 4.620 3.076 2.873 3.177     .  0 0 "[    .    1    .    2]" 1 
       345 1 10 LEU H    1 12 VAL QG   . . 5.140 3.475 3.449 3.509     .  0 0 "[    .    1    .    2]" 1 
       346 1 16 THR MG   1 17 CYS H    . . 4.140 3.990 3.745 4.149 0.009 20 0 "[    .    1    .    2]" 1 
       347 1  4 ILE MD   1  5 CYS H    . . 4.810 3.588 3.387 3.707     .  0 0 "[    .    1    .    2]" 1 
       348 1  2 TRP QB   1  2 TRP HD1  . . 3.270 2.551 2.550 2.560     .  0 0 "[    .    1    .    2]" 1 
       349 1  2 TRP H    1 29 CYS HA   . . 5.230 3.406 2.751 3.502     .  0 0 "[    .    1    .    2]" 1 
       350 1 18 THR HA   1 20 GLY H    . . 4.350 3.758 3.716 3.975     .  0 0 "[    .    1    .    2]" 1 
       351 1 22 CYS HA   1 24 THR H    . . 4.870 4.277 3.835 4.863     .  0 0 "[    .    1    .    2]" 1 
       352 1  3 PRO HG3  1  4 ILE H    . . 4.270 3.727 3.635 4.176     .  0 0 "[    .    1    .    2]" 1 
       353 1 18 THR HA   1 18 THR HB   . . 2.680 2.637 2.606 2.682 0.002 17 0 "[    .    1    .    2]" 1 
       354 1  4 ILE HA   1  4 ILE HG12 . . 3.480 3.274 3.192 3.294     .  0 0 "[    .    1    .    2]" 1 
       355 1  5 CYS HB3  1 13 CYS HB2  . . 3.720 2.453 2.246 2.735     .  0 0 "[    .    1    .    2]" 1 
       356 1  6 LYS H    1  7 ARG HA   . . 4.660 4.653 4.570 4.683 0.023 11 0 "[    .    1    .    2]" 1 
       357 1  5 CYS HA   1 28 THR H    . . 4.870 4.757 4.466 4.895 0.025 17 0 "[    .    1    .    2]" 1 
       358 1  6 LYS HA   1 28 THR H    . . 4.960 4.336 4.091 4.464     .  0 0 "[    .    1    .    2]" 1 
       359 1  2 TRP HE1  1 18 THR HB   . . 5.350 4.145 4.092 4.195     .  0 0 "[    .    1    .    2]" 1 
       360 1  6 LYS HA   1  8 ASN H    . . 5.430 4.740 4.225 4.931     .  0 0 "[    .    1    .    2]" 1 
       361 1  6 LYS HA   1 10 LEU H    . . 5.500 3.911 3.619 4.231     .  0 0 "[    .    1    .    2]" 1 
       362 1  2 TRP HZ2  1  3 PRO HD3  . . 5.210 4.965 4.942 5.130     .  0 0 "[    .    1    .    2]" 1 
       363 1  2 TRP HE3  1  3 PRO HD3  . . 3.740 2.990 2.986 3.012     .  0 0 "[    .    1    .    2]" 1 
       364 1 19 LEU MD1  1 21 THR H    . . 5.220 2.383 2.146 2.430     .  0 0 "[    .    1    .    2]" 1 
       365 1 19 LEU H    1 19 LEU MD1  . . 4.800 2.101 2.012 2.128     .  0 0 "[    .    1    .    2]" 1 
       366 1 17 CYS H    1 19 LEU MD1  . . 5.180 5.170 5.144 5.194 0.014 20 0 "[    .    1    .    2]" 1 
       367 1  2 TRP QB   1 20 GLY H    . . 4.500 4.391 4.230 4.508 0.008 19 0 "[    .    1    .    2]" 1 
       368 1  2 TRP HE1  1 18 THR MG   . . 4.630 3.436 3.309 3.551     .  0 0 "[    .    1    .    2]" 1 
       369 1 15 GLU HG3  1 16 THR H    . . 5.380 4.307 3.253 4.887     .  0 0 "[    .    1    .    2]" 1 
       370 1  6 LYS HA   1  6 LYS HD3  . . 4.620 4.331 4.272 4.427     .  0 0 "[    .    1    .    2]" 1 
       371 1  6 LYS HA   1  7 ARG HB3  . . 4.730 4.542 4.442 4.638     .  0 0 "[    .    1    .    2]" 1 
       372 1 18 THR HB   1 19 LEU QB   . . 5.500 4.959 4.842 5.015     .  0 0 "[    .    1    .    2]" 1 
       373 1 19 LEU QB   1 21 THR HB   . . 5.500 5.067 4.856 5.326     .  0 0 "[    .    1    .    2]" 1 
       374 1  4 ILE HA   1  5 CYS HB2  . . 4.340 4.124 4.004 4.202     .  0 0 "[    .    1    .    2]" 1 
       375 1 13 CYS HB3  1 15 GLU QB   . . 4.240 4.055 3.865 4.242 0.002 14 0 "[    .    1    .    2]" 1 
       376 1  5 CYS HB2  1 15 GLU HG2  . . 4.590 3.123 1.999 4.280     .  0 0 "[    .    1    .    2]" 1 
       377 1 13 CYS HB3  1 15 GLU HG3  . . 4.530 3.147 2.134 4.259     .  0 0 "[    .    1    .    2]" 1 
       378 1 13 CYS HB2  1 15 GLU HG3  . . 4.560 3.383 2.280 4.333     .  0 0 "[    .    1    .    2]" 1 
       379 1 13 CYS HB2  1 15 GLU QB   . . 4.540 4.447 4.230 4.569 0.029 15 0 "[    .    1    .    2]" 1 
       380 1 13 CYS HB2  1 24 THR MG   . . 4.860 4.469 4.277 4.857     .  0 0 "[    .    1    .    2]" 1 
       381 1 13 CYS HB2  1 27 CYS HB3  . . 4.710 4.000 3.792 4.283     .  0 0 "[    .    1    .    2]" 1 
       382 1  5 CYS HB3  1 15 GLU QB   . . 5.060 4.597 3.818 4.842     .  0 0 "[    .    1    .    2]" 1 
       383 1  3 PRO HD2  1  4 ILE MD   . . 5.320 4.062 3.904 4.168     .  0 0 "[    .    1    .    2]" 1 
       384 1  3 PRO HD3  1  4 ILE MD   . . 5.170 5.079 4.990 5.204 0.034 17 0 "[    .    1    .    2]" 1 
       385 1 12 VAL QG   1 13 CYS HB2  . . 4.730 4.210 3.971 4.415     .  0 0 "[    .    1    .    2]" 1 
       386 1  8 ASN HB3  1 10 LEU MD1  . . 4.730 3.386 2.811 4.715     .  0 0 "[    .    1    .    2]" 1 
       387 1  8 ASN HB2  1 10 LEU MD1  . . 4.730 3.067 2.379 4.191     .  0 0 "[    .    1    .    2]" 1 
       388 1  4 ILE MD   1 16 THR HA   . . 4.900 3.766 3.636 3.951     .  0 0 "[    .    1    .    2]" 1 
       389 1 18 THR H    1 19 LEU MD1  . . 5.060 2.482 2.405 2.750     .  0 0 "[    .    1    .    2]" 1 
       390 1  7 ARG H    1 10 LEU MD1  . . 5.500 5.457 5.269 5.518 0.018 13 0 "[    .    1    .    2]" 1 
       391 1  2 TRP QB   1  2 TRP HZ3  . . 5.120 4.882 4.866 4.884     .  0 0 "[    .    1    .    2]" 1 
       392 1  1 SER H1   1 29 CYS QB   . . 4.110 3.704 3.569 3.804     .  0 0 "[    .    1    .    2]" 1 
       393 1  2 TRP HD1  1 20 GLY QA   . . 4.300 2.859 2.596 2.992     .  0 0 "[    .    1    .    2]" 1 
       394 1  2 TRP HD1  1 29 CYS QB   . . 4.850 3.638 3.529 3.799     .  0 0 "[    .    1    .    2]" 1 
       395 1  5 CYS HB2  1 15 GLU QG   . . 3.930 2.334 1.892 2.818     .  0 0 "[    .    1    .    2]" 1 
       396 1  7 ARG H    1  7 ARG QG   . . 4.080 3.945 3.916 3.997     .  0 0 "[    .    1    .    2]" 1 
       397 1  7 ARG HA   1  8 ASN QD   . . 5.340 4.231 3.786 4.820     .  0 0 "[    .    1    .    2]" 1 
       398 1  7 ARG HB2  1  7 ARG QG   . . 2.520 2.476 2.308 2.522 0.002 10 0 "[    .    1    .    2]" 1 
       399 1  7 ARG HB2  1 26 GLY QA   . . 5.250 5.079 4.591 5.278 0.028 18 0 "[    .    1    .    2]" 1 
       400 1  7 ARG QG   1  8 ASN H    . . 4.120 2.785 2.462 3.247     .  0 0 "[    .    1    .    2]" 1 
       401 1  7 ARG QG   1  8 ASN HA   . . 3.710 3.600 3.313 3.731 0.021  7 0 "[    .    1    .    2]" 1 
       402 1  7 ARG QG   1  8 ASN QD   . . 1.570 1.795 1.770 1.816 0.246 13 0 "[    .    1    .    2]" 1 
       403 1  7 ARG QG   1 27 CYS HA   . . 4.590 3.629 3.335 4.076     .  0 0 "[    .    1    .    2]" 1 
       404 1  7 ARG QD   1 26 GLY QA   . . 4.180 3.169 2.654 3.779     .  0 0 "[    .    1    .    2]" 1 
       405 1  8 ASN HA   1  8 ASN QB   . . 2.640 2.413 2.186 2.517     .  0 0 "[    .    1    .    2]" 1 
       406 1  8 ASN QD   1 12 VAL QG   . . 5.050 3.934 2.606 4.684     .  0 0 "[    .    1    .    2]" 1 
       407 1 10 LEU HA   1 11 PRO QG   . . 4.830 3.995 3.991 3.998     .  0 0 "[    .    1    .    2]" 1 
       408 1 13 CYS HA   1 15 GLU QG   . . 4.690 3.757 3.286 4.559     .  0 0 "[    .    1    .    2]" 1 
       409 1 13 CYS HB2  1 15 GLU QG   . . 3.990 2.442 2.225 2.637     .  0 0 "[    .    1    .    2]" 1 
       410 1 13 CYS HB3  1 15 GLU QG   . . 3.690 2.209 1.963 2.674     .  0 0 "[    .    1    .    2]" 1 
       411 1 14 GLY H    1 15 GLU QG   . . 4.320 3.861 3.510 4.313     .  0 0 "[    .    1    .    2]" 1 
       412 1 15 GLU H    1 15 GLU QG   . . 3.810 2.202 1.985 2.512     .  0 0 "[    .    1    .    2]" 1 
       413 1 15 GLU QG   1 16 THR H    . . 4.620 3.995 3.161 4.451     .  0 0 "[    .    1    .    2]" 1 
       414 1 15 GLU QG   1 16 THR HA   . . 5.040 4.413 3.603 5.053 0.013 17 0 "[    .    1    .    2]" 1 
       415 1 15 GLU QG   1 22 CYS HB3  . . 5.070 3.472 2.659 5.062     .  0 0 "[    .    1    .    2]" 1 
       416 1 15 GLU QG   1 23 SER H    . . 5.080 3.587 2.841 4.751     .  0 0 "[    .    1    .    2]" 1 
       417 1 19 LEU MD1  1 20 GLY QA   . . 4.310 3.828 3.460 3.906     .  0 0 "[    .    1    .    2]" 1 
       418 1 20 GLY QA   1 21 THR MG   . . 4.020 3.572 3.425 3.670     .  0 0 "[    .    1    .    2]" 1 
       419 1 25 GLN H    1 25 GLN QB   . . 3.360 2.668 2.316 3.370 0.010 20 0 "[    .    1    .    2]" 1 
       420 1 26 GLY QA   1 27 CYS HA   . . 4.880 4.013 3.997 4.031     .  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              11
    _Distance_constraint_stats_list.Viol_count                    160
    _Distance_constraint_stats_list.Viol_total                    221.660
    _Distance_constraint_stats_list.Viol_max                      0.131
    _Distance_constraint_stats_list.Viol_rms                      0.0503
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0504
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0693
    _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 SER 2.451 0.131 12 0 "[    .    1    .    2]" 
       1  5 CYS 3.680 0.119 12 0 "[    .    1    .    2]" 
       1 13 CYS 2.078 0.105 12 0 "[    .    1    .    2]" 
       1 17 CYS 2.873 0.112 14 0 "[    .    1    .    2]" 
       1 22 CYS 3.680 0.119 12 0 "[    .    1    .    2]" 
       1 27 CYS 2.078 0.105 12 0 "[    .    1    .    2]" 
       1 29 CYS 5.325 0.131 12 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 SER N  1 29 CYS C  . . 1.300 1.423 1.412 1.431 0.131 12 0 "[    .    1    .    2]" 2 
        2 1  1 SER H1 1 29 CYS C  . . 1.950 1.945 1.938 1.950     .  0 0 "[    .    1    .    2]" 2 
        3 1  5 CYS SG 1 22 CYS SG . . 2.000 2.038 1.996 2.106 0.106 18 0 "[    .    1    .    2]" 2 
        4 1  5 CYS CB 1 22 CYS SG . . 3.000 3.046 2.993 3.106 0.106 16 0 "[    .    1    .    2]" 2 
        5 1  5 CYS SG 1 22 CYS CB . . 3.000 3.099 3.032 3.119 0.119 12 0 "[    .    1    .    2]" 2 
        6 1 17 CYS SG 1 29 CYS SG . . 2.000 2.004 1.992 2.083 0.083 18 0 "[    .    1    .    2]" 2 
        7 1 17 CYS SG 1 29 CYS CB . . 3.000 3.034 3.001 3.109 0.109 20 0 "[    .    1    .    2]" 2 
        8 1 17 CYS CB 1 29 CYS SG . . 3.000 3.105 3.072 3.112 0.112 14 0 "[    .    1    .    2]" 2 
        9 1 13 CYS SG 1 27 CYS SG . . 2.000 2.000 1.994 2.057 0.057 17 0 "[    .    1    .    2]" 2 
       10 1 13 CYS SG 1 27 CYS CB . . 3.000 3.041 3.002 3.105 0.105 12 0 "[    .    1    .    2]" 2 
       11 1 13 CYS CB 1 27 CYS SG . . 3.000 3.060 2.991 3.102 0.102 10 0 "[    .    1    .    2]" 2 
    stop_

save_



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