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
587164 2mv1 25238 cing 4-filtered-FRED Wattos check violation distance


data_2mv1


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              349
    _Distance_constraint_stats_list.Viol_count                    1308
    _Distance_constraint_stats_list.Viol_total                    1546.793
    _Distance_constraint_stats_list.Viol_max                      0.324
    _Distance_constraint_stats_list.Viol_rms                      0.0307
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0111
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0591
    _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 ASP  2.256 0.161  9 0 "[    .    1    .    2]" 
       1  2 SER  4.284 0.209  7 0 "[    .    1    .    2]" 
       1  3 TRP  5.155 0.209  7 0 "[    .    1    .    2]" 
       1  5 GLU  0.311 0.080 10 0 "[    .    1    .    2]" 
       1  6 GLU  4.805 0.157 17 0 "[    .    1    .    2]" 
       1  7 VAL  3.329 0.157 17 0 "[    .    1    .    2]" 
       1  8 ILE  1.114 0.097  6 0 "[    .    1    .    2]" 
       1  9 LYS  1.673 0.097  6 0 "[    .    1    .    2]" 
       1 10 LEU  5.127 0.324 11 0 "[    .    1    .    2]" 
       1 11 CYS  9.615 0.241 17 0 "[    .    1    .    2]" 
       1 12 GLY  2.258 0.166 14 0 "[    .    1    .    2]" 
       1 13 ARG  1.400 0.092  4 0 "[    .    1    .    2]" 
       1 14 GLU  3.152 0.149 17 0 "[    .    1    .    2]" 
       1 15 LEU  4.710 0.324 11 0 "[    .    1    .    2]" 
       1 16 VAL  1.624 0.090  6 0 "[    .    1    .    2]" 
       1 17 ARG  2.246 0.159  9 0 "[    .    1    .    2]" 
       1 18 ALA  1.505 0.159  9 0 "[    .    1    .    2]" 
       1 19 GLN  6.693 0.169  6 0 "[    .    1    .    2]" 
       1 20 ILE  1.659 0.107 17 0 "[    .    1    .    2]" 
       1 21 ALA  0.117 0.034 17 0 "[    .    1    .    2]" 
       1 22 ILE  1.551 0.169  6 0 "[    .    1    .    2]" 
       1 23 CYS  2.645 0.195 13 0 "[    .    1    .    2]" 
       1 24 GLY  2.307 0.195 13 0 "[    .    1    .    2]" 
       1 25 MET  1.344 0.126 16 0 "[    .    1    .    2]" 
       1 26 SER  2.177 0.194 10 0 "[    .    1    .    2]" 
       1 27 THR  4.886 0.220 19 0 "[    .    1    .    2]" 
       1 28 TRP  4.079 0.220 19 0 "[    .    1    .    2]" 
       1 29 SER  0.161 0.161 12 0 "[    .    1    .    2]" 
       2  1 PCA  0.975 0.150 19 0 "[    .    1    .    2]" 
       2  2 LEU  3.578 0.313 10 0 "[    .    1    .    2]" 
       2  3 TYR  3.497 0.313 10 0 "[    .    1    .    2]" 
       2  4 SER  0.789 0.135 19 0 "[    .    1    .    2]" 
       2  5 ALA  0.218 0.033 20 0 "[    .    1    .    2]" 
       2  6 LEU  2.373 0.166 11 0 "[    .    1    .    2]" 
       2  7 ALA  0.022 0.016 14 0 "[    .    1    .    2]" 
       2  8 ASN  0.218 0.033 20 0 "[    .    1    .    2]" 
       2  9 LYS  2.857 0.141 10 0 "[    .    1    .    2]" 
       2 10 CYS  2.755 0.145 10 0 "[    .    1    .    2]" 
       2 11 CYS  0.815 0.047  5 0 "[    .    1    .    2]" 
       2 12 HIS  4.291 0.160  8 0 "[    .    1    .    2]" 
       2 13 VAL  4.080 0.160  8 0 "[    .    1    .    2]" 
       2 14 GLY  5.405 0.145 10 0 "[    .    1    .    2]" 
       2 15 CYS  1.389 0.100  3 0 "[    .    1    .    2]" 
       2 16 THR  4.417 0.156  1 0 "[    .    1    .    2]" 
       2 17 LYS  8.376 0.124  2 0 "[    .    1    .    2]" 
       2 18 ARG  0.852 0.105 20 0 "[    .    1    .    2]" 
       2 19 SER  3.648 0.156  1 0 "[    .    1    .    2]" 
       2 20 LEU 10.677 0.166 11 0 "[    .    1    .    2]" 
       2 21 ALA  4.364 0.124  2 0 "[    .    1    .    2]" 
       2 22 ARG  0.577 0.095 13 0 "[    .    1    .    2]" 
       2 23 PHE  2.766 0.151 20 0 "[    .    1    .    2]" 
       2 24 CYS  3.559 0.151 20 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 2 12 HIS HB3  2 13 VAL H    2.485 . 3.170 3.187 2.893 3.254 0.084  6 0 "[    .    1    .    2]" 1 
         2 2  8 ASN HA   2  9 LYS H    2.795 . 3.790 3.509 3.469 3.539     .  0 0 "[    .    1    .    2]" 1 
         3 1 26 SER HB3  1 27 THR H    3.110 . 4.420 4.318 3.866 4.458 0.038 12 0 "[    .    1    .    2]" 1 
         4 1 26 SER HB2  1 27 THR H    3.310 . 4.820 4.021 3.230 4.567     .  0 0 "[    .    1    .    2]" 1 
         5 2  6 LEU HA   2  7 ALA H    3.650 . 5.500 3.526 3.488 3.554     .  0 0 "[    .    1    .    2]" 1 
         6 1 15 LEU HA   1 16 VAL H    2.720 . 3.640 3.508 3.465 3.531     .  0 0 "[    .    1    .    2]" 1 
         7 1  2 SER H    1  3 TRP H    3.245 . 4.690 3.718 2.476 4.583     .  0 0 "[    .    1    .    2]" 1 
         8 1  2 SER HB2  1  3 TRP H    2.735 . 3.670 3.483 2.814 3.857 0.187 14 0 "[    .    1    .    2]" 1 
         9 1  2 SER HB3  1  3 TRP H    2.920 . 4.040 3.556 2.729 4.147 0.107 12 0 "[    .    1    .    2]" 1 
        10 1  2 SER HA   1  3 TRP H    2.410 . 3.020 2.491 1.945 3.229 0.209  7 0 "[    .    1    .    2]" 1 
        11 1  1 ASP HB3  1  2 SER H    2.935 . 4.070 3.741 2.342 4.211 0.141 18 0 "[    .    1    .    2]" 1 
        12 1  1 ASP HB2  1  2 SER H    2.750 . 3.700 3.367 2.460 3.861 0.161  9 0 "[    .    1    .    2]" 1 
        13 1  1 ASP HA   1  2 SER H    2.625 . 3.450 3.268 2.179 3.546 0.096 12 0 "[    .    1    .    2]" 1 
        14 2 12 HIS HB2  2 13 VAL H    2.690 . 3.580 2.437 2.234 2.559     .  0 0 "[    .    1    .    2]" 1 
        15 2 12 HIS HA   2 13 VAL H    3.030 . 4.260 3.526 3.483 3.588     .  0 0 "[    .    1    .    2]" 1 
        16 2 13 VAL HB   2 14 GLY H    2.550 . 3.300 3.399 3.344 3.430 0.130  6 0 "[    .    1    .    2]" 1 
        17 2 13 VAL HA   2 14 GLY H    2.890 . 3.980 3.474 3.429 3.515     .  0 0 "[    .    1    .    2]" 1 
        18 2 13 VAL H    2 14 GLY H    2.115 . 2.430 2.169 1.959 2.377     .  0 0 "[    .    1    .    2]" 1 
        19 2 12 HIS H    2 13 VAL H    2.300 . 2.800 2.530 2.438 2.693     .  0 0 "[    .    1    .    2]" 1 
        20 2 10 CYS HA   2 14 GLY H    2.610 . 3.420 2.531 2.211 2.799     .  0 0 "[    .    1    .    2]" 1 
        21 2 10 CYS HA   2 13 VAL H    2.890 . 3.980 3.964 3.807 4.046 0.066  1 0 "[    .    1    .    2]" 1 
        22 2  9 LYS HA   2 13 VAL H    2.830 . 3.860 3.438 3.264 3.626     .  0 0 "[    .    1    .    2]" 1 
        23 2 14 GLY HA2  2 15 CYS H    2.720 . 3.640 2.439 2.302 2.537     .  0 0 "[    .    1    .    2]" 1 
        24 2 15 CYS HA   2 16 THR H    2.160 . 2.520 2.346 2.222 2.507     .  0 0 "[    .    1    .    2]" 1 
        25 2 15 CYS HB2  2 16 THR H    2.380 . 2.960 2.466 2.272 2.631     .  0 0 "[    .    1    .    2]" 1 
        26 2 15 CYS HB3  2 16 THR H    2.735 . 3.670 3.726 3.544 3.770 0.100  3 0 "[    .    1    .    2]" 1 
        27 1  8 ILE H    2 16 THR HA   3.090 . 4.380 3.566 3.318 4.110     .  0 0 "[    .    1    .    2]" 1 
        28 1  7 VAL HA   1  8 ILE H    2.160 . 2.520 2.119 2.045 2.217     .  0 0 "[    .    1    .    2]" 1 
        29 1  8 ILE HB   1  9 LYS H    2.595 . 3.390 2.224 1.898 2.441     .  0 0 "[    .    1    .    2]" 1 
        30 1  8 ILE HA   1  9 LYS H    2.270 . 2.740 2.397 2.274 2.488     .  0 0 "[    .    1    .    2]" 1 
        31 1  8 ILE H    1  9 LYS H    3.510 . 5.220 4.342 4.285 4.426     .  0 0 "[    .    1    .    2]" 1 
        32 2 11 CYS HB3  2 12 HIS H    2.410 . 3.020 2.822 2.665 3.023 0.003  1 0 "[    .    1    .    2]" 1 
        33 2 11 CYS HB2  2 12 HIS H    2.830 . 3.860 3.877 3.828 3.907 0.047  5 0 "[    .    1    .    2]" 1 
        34 2 11 CYS HA   2 12 HIS H    2.815 . 3.830 3.517 3.467 3.557     .  0 0 "[    .    1    .    2]" 1 
        35 2 11 CYS H    2 12 HIS H    2.365 . 2.930 2.467 2.368 2.571     .  0 0 "[    .    1    .    2]" 1 
        36 2 10 CYS HB2  2 11 CYS H    3.140 . 4.480 3.383 2.601 3.940     .  0 0 "[    .    1    .    2]" 1 
        37 2 14 GLY HA3  2 15 CYS H    2.595 . 3.390 2.628 2.539 2.918     .  0 0 "[    .    1    .    2]" 1 
        38 2 10 CYS HA   2 11 CYS H    3.385 . 4.970 3.486 3.429 3.521     .  0 0 "[    .    1    .    2]" 1 
        39 2 10 CYS H    2 11 CYS H    2.595 . 3.390 2.528 2.392 2.651     .  0 0 "[    .    1    .    2]" 1 
        40 1  8 ILE H    2 15 CYS H    2.440 . 3.080 2.867 2.699 3.091 0.011 12 0 "[    .    1    .    2]" 1 
        41 2  8 ASN QB   2  9 LYS H    2.925 . 4.050 2.541 2.356 2.745     .  0 0 "[    .    1    .    2]" 1 
        42 2  9 LYS HB2  2 10 CYS H    2.890 . 3.980 3.229 2.486 3.852     .  0 0 "[    .    1    .    2]" 1 
        43 2  9 LYS HA   2 10 CYS H    3.310 . 4.820 3.532 3.497 3.561     .  0 0 "[    .    1    .    2]" 1 
        44 2  7 ALA H    2  8 ASN H    2.660 . 3.520 2.807 2.596 2.916     .  0 0 "[    .    1    .    2]" 1 
        45 2  6 LEU H    2  7 ALA H    2.485 . 3.170 2.731 2.579 3.022     .  0 0 "[    .    1    .    2]" 1 
        46 2  8 ASN H    2  9 LYS H    2.640 . 3.480 2.640 2.463 2.772     .  0 0 "[    .    1    .    2]" 1 
        47 2  6 LEU QB   2  7 ALA H    3.900 . 6.000 2.423 2.233 2.602     .  0 0 "[    .    1    .    2]" 1 
        48 1 26 SER H    1 27 THR H    2.675 . 3.550 2.885 1.891 3.650 0.100  5 0 "[    .    1    .    2]" 1 
        49 1 26 SER HA   1 27 THR H    2.410 . 3.020 2.842 2.210 3.214 0.194 10 0 "[    .    1    .    2]" 1 
        50 1 25 MET HA   1 26 SER H    2.300 . 2.800 2.523 2.115 2.883 0.083 18 0 "[    .    1    .    2]" 1 
        51 2  5 ALA HA   2  6 LEU H    2.955 . 4.110 3.543 3.480 3.599     .  0 0 "[    .    1    .    2]" 1 
        52 1 27 THR H    1 28 TRP H    2.890 . 3.980 2.797 2.022 4.160 0.180  6 0 "[    .    1    .    2]" 1 
        53 1 27 THR HB   1 28 TRP H    2.395 . 2.990 2.809 1.790 3.063 0.073 10 0 "[    .    1    .    2]" 1 
        54 1 27 THR HA   1 28 TRP H    2.440 . 3.080 2.991 2.108 3.300 0.220 19 0 "[    .    1    .    2]" 1 
        55 1 11 CYS HA   1 12 GLY H    2.240 . 2.680 2.330 2.208 2.429     .  0 0 "[    .    1    .    2]" 1 
        56 1 10 LEU HA   1 11 CYS H    2.100 . 2.400 2.443 2.413 2.468 0.068 17 0 "[    .    1    .    2]" 1 
        57 1 12 GLY HA3  1 13 ARG H    2.130 . 2.460 1.998 1.930 2.123     .  0 0 "[    .    1    .    2]" 1 
        58 1 12 GLY HA2  1 13 ARG H    2.410 . 3.020 3.080 3.033 3.112 0.092  4 0 "[    .    1    .    2]" 1 
        59 1 13 ARG H    1 14 GLU H    2.350 . 2.900 2.635 2.561 2.742     .  0 0 "[    .    1    .    2]" 1 
        60 1 10 LEU H    1 11 CYS H    3.635 . 5.470 4.343 4.218 4.400     .  0 0 "[    .    1    .    2]" 1 
        61 1 13 ARG QB   1 14 GLU H    3.005 . 4.210 3.072 2.589 3.959     .  0 0 "[    .    1    .    2]" 1 
        62 1  6 GLU H    1  7 VAL H    2.985 . 4.170 4.131 3.830 4.323 0.153 19 0 "[    .    1    .    2]" 1 
        63 1  6 GLU HA   1  7 VAL H    2.100 . 2.400 2.155 1.868 2.333     .  0 0 "[    .    1    .    2]" 1 
        64 1  6 GLU HB2  1  7 VAL H    3.170 . 4.540 4.079 3.863 4.272     .  0 0 "[    .    1    .    2]" 1 
        65 1  6 GLU HB3  1  7 VAL H    2.505 . 3.210 3.317 3.257 3.367 0.157 17 0 "[    .    1    .    2]" 1 
        66 1  5 GLU HA   1  6 GLU H    2.860 . 3.920 2.535 2.076 3.492     .  0 0 "[    .    1    .    2]" 1 
        67 1  7 VAL HA   2 16 THR HA   2.300 . 2.800 2.105 1.891 2.517     .  0 0 "[    .    1    .    2]" 1 
        68 1  9 LYS HA   2 14 GLY HA2  2.735 . 3.670 2.373 2.120 2.671     .  0 0 "[    .    1    .    2]" 1 
        69 1  9 LYS HB2  1 10 LEU H    3.650 . 5.500 4.343 2.929 4.580     .  0 0 "[    .    1    .    2]" 1 
        70 1  9 LYS HA   2 14 GLY HA3  2.580 . 3.360 3.367 3.113 3.423 0.063 12 0 "[    .    1    .    2]" 1 
        71 1 14 GLU HA   1 15 LEU H    2.705 . 3.610 3.449 3.384 3.535     .  0 0 "[    .    1    .    2]" 1 
        72 1 14 GLU HB2  1 15 LEU H    2.625 . 3.450 2.741 2.618 2.936     .  0 0 "[    .    1    .    2]" 1 
        73 1 14 GLU HB3  1 15 LEU H    2.705 . 3.610 3.644 3.596 3.693 0.083  4 0 "[    .    1    .    2]" 1 
        74 1 14 GLU H    1 15 LEU H    2.255 . 2.710 2.395 2.152 2.651     .  0 0 "[    .    1    .    2]" 1 
        75 1 25 MET H    1 26 SER H    2.455 . 3.110 2.891 1.851 3.236 0.126 16 0 "[    .    1    .    2]" 1 
        76 1 15 LEU H    1 16 VAL H    2.285 . 2.770 2.552 2.391 2.632     .  0 0 "[    .    1    .    2]" 1 
        77 1 17 ARG HA   1 18 ALA H    2.610 . 3.420 3.466 3.424 3.485 0.065  7 0 "[    .    1    .    2]" 1 
        78 2 21 ALA H    2 22 ARG H    2.455 . 3.110 2.757 2.564 2.944     .  0 0 "[    .    1    .    2]" 1 
        79 2 21 ALA HA   2 23 PHE H    2.875 . 3.950 3.868 3.561 4.022 0.072  8 0 "[    .    1    .    2]" 1 
        80 2 21 ALA HA   2 22 ARG H    3.110 . 4.420 3.499 3.467 3.540     .  0 0 "[    .    1    .    2]" 1 
        81 2 18 ARG HA   2 21 ALA H    2.765 . 3.730 3.296 2.956 3.564     .  0 0 "[    .    1    .    2]" 1 
        82 2 16 THR HB   2 19 SER H    2.750 . 3.700 3.261 3.011 3.576     .  0 0 "[    .    1    .    2]" 1 
        83 2 18 ARG HA   2 19 SER H    2.720 . 3.640 3.429 3.317 3.511     .  0 0 "[    .    1    .    2]" 1 
        84 1 19 GLN HB3  1 20 ILE H    2.350 . 2.900 2.976 2.941 3.007 0.107 17 0 "[    .    1    .    2]" 1 
        85 2  1 PCA HA   2  2 LEU H    2.255 . 2.710 2.507 2.070 2.860 0.150 19 0 "[    .    1    .    2]" 1 
        86 2 16 THR HA   2 17 LYS H    2.210 . 2.620 2.140 1.977 2.214     .  0 0 "[    .    1    .    2]" 1 
        87 2 19 SER H    2 20 LEU H    2.425 . 3.050 2.498 2.405 2.812     .  0 0 "[    .    1    .    2]" 1 
        88 2 18 ARG H    2 19 SER H    2.350 . 2.900 2.582 2.468 2.712     .  0 0 "[    .    1    .    2]" 1 
        89 2 19 SER HB2  2 20 LEU H    2.830 . 3.860 3.892 3.831 3.933 0.073 12 0 "[    .    1    .    2]" 1 
        90 2 19 SER HB3  2 20 LEU H    3.650 . 5.500 2.767 2.500 3.641     .  0 0 "[    .    1    .    2]" 1 
        91 1 11 CYS H    1 14 GLU HB2  2.520 . 3.240 2.357 1.984 2.952     .  0 0 "[    .    1    .    2]" 1 
        92 1 11 CYS H    1 14 GLU HB3  2.830 . 3.860 3.533 2.990 3.861 0.001  4 0 "[    .    1    .    2]" 1 
        93 1 23 CYS HB3  1 24 GLY H    2.640 . 3.480 3.477 2.969 3.675 0.195 13 0 "[    .    1    .    2]" 1 
        94 1 24 GLY HA3  1 25 MET H    2.860 . 3.920 3.022 2.064 3.534     .  0 0 "[    .    1    .    2]" 1 
        95 1 24 GLY HA2  1 25 MET H    2.935 . 4.070 3.335 2.631 3.532     .  0 0 "[    .    1    .    2]" 1 
        96 1 24 GLY H    1 25 MET H    2.365 . 2.930 2.560 2.091 3.049 0.119 20 0 "[    .    1    .    2]" 1 
        97 1 23 CYS H    1 24 GLY H    2.395 . 2.990 2.445 2.332 2.523     .  0 0 "[    .    1    .    2]" 1 
        98 1 25 MET QB   1 26 SER H    3.590 . 5.380 3.880 3.682 4.043     .  0 0 "[    .    1    .    2]" 1 
        99 1 15 LEU QB   1 16 VAL H    2.970 . 4.140 2.382 2.227 2.486     .  0 0 "[    .    1    .    2]" 1 
       100 2 16 THR HB   2 17 LYS H    2.440 . 3.080 2.668 2.444 2.868     .  0 0 "[    .    1    .    2]" 1 
       101 1 18 ALA H    1 19 GLN H    2.350 . 2.900 2.644 2.514 2.821     .  0 0 "[    .    1    .    2]" 1 
       102 1 18 ALA HA   1 19 GLN H    2.860 . 3.920 3.515 3.470 3.556     .  0 0 "[    .    1    .    2]" 1 
       103 2  9 LYS HA   2 12 HIS H    2.595 . 3.390 3.482 3.422 3.531 0.141 10 0 "[    .    1    .    2]" 1 
       104 2 17 LYS HA   2 18 ARG H    2.720 . 3.640 3.488 3.403 3.570     .  0 0 "[    .    1    .    2]" 1 
       105 2  7 ALA HA   2 10 CYS HB3  3.510 . 5.220 4.229 3.175 5.236 0.016 14 0 "[    .    1    .    2]" 1 
       106 2  6 LEU HA   2  9 LYS HB3  2.935 . 4.070 3.326 2.458 4.153 0.083  8 0 "[    .    1    .    2]" 1 
       107 2  6 LEU HA   2  9 LYS HB2  2.550 . 3.300 2.993 2.527 3.350 0.050 12 0 "[    .    1    .    2]" 1 
       108 2 18 ARG HB2  2 19 SER H    2.550 . 3.300 3.062 2.767 3.398 0.098 19 0 "[    .    1    .    2]" 1 
       109 2 18 ARG HB3  2 19 SER H    2.845 . 3.890 3.828 3.470 3.961 0.071 13 0 "[    .    1    .    2]" 1 
       110 2 16 THR H    2 17 LYS H    3.060 . 4.320 4.398 4.385 4.413 0.093  9 0 "[    .    1    .    2]" 1 
       111 2 17 LYS HB2  2 18 ARG H    2.750 . 3.700 3.663 3.457 3.805 0.105 20 0 "[    .    1    .    2]" 1 
       112 2 17 LYS HA   2 20 LEU HB2  3.215 . 4.630 3.700 3.584 3.879     .  0 0 "[    .    1    .    2]" 1 
       113 2 17 LYS HA   2 20 LEU HB3  3.450 . 5.100 5.130 4.843 5.215 0.115  5 0 "[    .    1    .    2]" 1 
       114 2 17 LYS HA   2 21 ALA H    2.890 . 3.980 4.036 3.915 4.104 0.124  2 0 "[    .    1    .    2]" 1 
       115 2 20 LEU HB2  2 21 ALA H    2.485 . 3.170 2.930 2.463 3.170 0.000 13 0 "[    .    1    .    2]" 1 
       116 2 20 LEU HB3  2 21 ALA H    3.125 . 4.450 3.945 3.665 4.154     .  0 0 "[    .    1    .    2]" 1 
       117 1 19 GLN HB2  1 20 ILE H    2.690 . 3.580 2.294 2.086 2.474     .  0 0 "[    .    1    .    2]" 1 
       118 2 20 LEU HA   2 21 ALA H    2.550 . 3.300 3.359 3.340 3.380 0.080 11 0 "[    .    1    .    2]" 1 
       119 2 22 ARG HA   2 23 PHE H    2.765 . 3.730 3.299 3.087 3.424     .  0 0 "[    .    1    .    2]" 1 
       120 2 12 HIS H    2 14 GLY H    2.955 . 4.110 3.934 3.655 4.123 0.013 20 0 "[    .    1    .    2]" 1 
       121 2 19 SER H    2 21 ALA H    2.675 . 3.550 3.600 3.564 3.635 0.085 17 0 "[    .    1    .    2]" 1 
       122 2  9 LYS HA   2 12 HIS HB2  2.935 . 4.070 3.049 2.774 3.266     .  0 0 "[    .    1    .    2]" 1 
       123 2  9 LYS HA   2 12 HIS HB3  3.310 . 4.820 4.681 4.388 4.854 0.034 12 0 "[    .    1    .    2]" 1 
       124 1 13 ARG HA   1 14 GLU H    2.750 . 3.700 3.501 3.366 3.582     .  0 0 "[    .    1    .    2]" 1 
       125 2  5 ALA HA   2  8 ASN H    2.735 . 3.670 3.585 3.382 3.694 0.024 12 0 "[    .    1    .    2]" 1 
       126 2  4 SER QB   2  8 ASN H    4.075 . 6.350 4.914 4.468 5.749     .  0 0 "[    .    1    .    2]" 1 
       127 2  5 ALA HA   2  8 ASN QB   3.315 . 4.830 2.927 2.434 3.611     .  0 0 "[    .    1    .    2]" 1 
       128 2  4 SER HA   2  8 ASN H    3.495 . 5.190 4.146 3.714 4.896     .  0 0 "[    .    1    .    2]" 1 
       129 2 20 LEU H    2 21 ALA H    2.505 . 3.210 2.378 2.281 2.478     .  0 0 "[    .    1    .    2]" 1 
       130 1 11 CYS HB3  1 12 GLY H    2.935 . 4.070 2.761 2.370 3.627     .  0 0 "[    .    1    .    2]" 1 
       131 1 11 CYS HB2  1 12 GLY H    2.640 . 3.480 3.527 3.405 3.646 0.166 14 0 "[    .    1    .    2]" 1 
       132 1 12 GLY H    1 13 ARG H    3.370 . 4.940 4.411 4.255 4.556     .  0 0 "[    .    1    .    2]" 1 
       133 2 16 THR HA   2 19 SER HB3  3.140 . 4.480 4.553 4.490 4.636 0.156  1 0 "[    .    1    .    2]" 1 
       134 1  3 TRP H    1  5 GLU H    3.170 . 4.540 4.238 3.614 4.607 0.067  4 0 "[    .    1    .    2]" 1 
       135 1 11 CYS H    1 14 GLU H    2.830 . 3.860 3.938 3.870 4.009 0.149 17 0 "[    .    1    .    2]" 1 
       136 1 23 CYS HA   1 24 GLY H    3.230 . 4.660 3.400 3.346 3.466     .  0 0 "[    .    1    .    2]" 1 
       137 2 10 CYS HA   2 14 GLY HA3  2.580 . 3.360 3.474 3.430 3.505 0.145 10 0 "[    .    1    .    2]" 1 
       138 2 19 SER HA   2 22 ARG QB   3.855 . 5.910 3.771 2.577 4.200     .  0 0 "[    .    1    .    2]" 1 
       139 1 22 ILE HA   1 25 MET QB   3.530 . 5.260 3.660 2.054 5.326 0.066 12 0 "[    .    1    .    2]" 1 
       140 1 17 ARG HB2  1 18 ALA H    2.425 . 3.050 2.707 2.208 3.209 0.159  9 0 "[    .    1    .    2]" 1 
       141 1 16 VAL HA   1 19 GLN HB3  2.675 . 3.550 3.609 3.559 3.640 0.090  6 0 "[    .    1    .    2]" 1 
       142 2 22 ARG H    2 23 PHE H    2.425 . 3.050 2.527 2.208 2.733     .  0 0 "[    .    1    .    2]" 1 
       143 2  3 TYR HA   2  4 SER H    2.705 . 3.610 3.503 3.447 3.571     .  0 0 "[    .    1    .    2]" 1 
       144 2  3 TYR HB2  2  4 SER H    3.295 . 4.790 3.161 2.258 4.206     .  0 0 "[    .    1    .    2]" 1 
       145 2  3 TYR HB3  2  4 SER H    2.470 . 3.140 2.982 2.580 3.275 0.135 19 0 "[    .    1    .    2]" 1 
       146 1 10 LEU HB2  1 11 CYS H    2.610 . 3.420 3.254 1.990 3.510 0.090  3 0 "[    .    1    .    2]" 1 
       147 1 10 LEU HB3  1 11 CYS H    2.580 . 3.360 2.227 1.792 3.420 0.060 12 0 "[    .    1    .    2]" 1 
       148 1 16 VAL H    1 17 ARG H    2.380 . 2.960 2.592 2.488 2.674     .  0 0 "[    .    1    .    2]" 1 
       149 2 12 HIS HB2  2 13 VAL HA   3.650 . 5.500 4.668 4.309 4.780     .  0 0 "[    .    1    .    2]" 1 
       150 1 28 TRP HA   1 29 SER H    2.380 . 2.960 2.283 2.103 3.121 0.161 12 0 "[    .    1    .    2]" 1 
       151 1 23 CYS HB2  1 24 GLY H    3.075 . 4.350 3.149 2.640 3.987     .  0 0 "[    .    1    .    2]" 1 
       152 1 22 ILE HA   1 23 CYS H    3.015 . 4.230 3.495 3.383 3.570     .  0 0 "[    .    1    .    2]" 1 
       153 1 22 ILE H    1 23 CYS H    2.505 . 3.210 2.519 2.241 2.821     .  0 0 "[    .    1    .    2]" 1 
       154 1 20 ILE H    1 21 ALA H    2.300 . 2.800 2.755 2.658 2.834 0.034 17 0 "[    .    1    .    2]" 1 
       155 1 21 ALA HA   1 22 ILE H    2.765 . 3.730 3.505 3.420 3.564     .  0 0 "[    .    1    .    2]" 1 
       156 1 21 ALA H    1 22 ILE H    2.380 . 2.960 2.634 2.493 2.735     .  0 0 "[    .    1    .    2]" 1 
       157 1 20 ILE HA   1 21 ALA H    2.795 . 3.790 3.512 3.454 3.545     .  0 0 "[    .    1    .    2]" 1 
       158 1 20 ILE HB   1 21 ALA H    2.425 . 3.050 2.757 2.523 3.068 0.018  3 0 "[    .    1    .    2]" 1 
       159 1 19 GLN H    1 20 ILE H    2.380 . 2.960 2.856 2.741 2.969 0.009  2 0 "[    .    1    .    2]" 1 
       160 1 16 VAL HB   1 17 ARG H    2.410 . 3.020 2.596 2.482 2.827     .  0 0 "[    .    1    .    2]" 1 
       161 1 16 VAL HA   1 17 ARG H    3.185 . 4.570 3.507 3.446 3.536     .  0 0 "[    .    1    .    2]" 1 
       162 1 14 GLU HA   1 17 ARG H    2.675 . 3.550 3.165 2.952 3.421     .  0 0 "[    .    1    .    2]" 1 
       163 1 17 ARG H    1 18 ALA H    2.485 . 3.170 2.742 2.680 2.843     .  0 0 "[    .    1    .    2]" 1 
       164 1 13 ARG HA   1 16 VAL H    2.705 . 3.610 3.148 2.596 3.449     .  0 0 "[    .    1    .    2]" 1 
       165 2  2 LEU HA   2  3 TYR H    2.625 . 3.450 3.426 3.300 3.492 0.042 18 0 "[    .    1    .    2]" 1 
       166 2  3 TYR H    2  4 SER H    3.200 . 4.600 2.579 2.295 2.865     .  0 0 "[    .    1    .    2]" 1 
       167 2  9 LYS H    2 10 CYS H    2.440 . 3.080 2.775 2.654 2.875     .  0 0 "[    .    1    .    2]" 1 
       168 2 23 PHE HA   2 24 CYS H    2.580 . 3.360 3.442 3.401 3.466 0.106 12 0 "[    .    1    .    2]" 1 
       169 2 23 PHE HB2  2 24 CYS H    2.440 . 3.080 2.450 1.960 3.231 0.151 20 0 "[    .    1    .    2]" 1 
       170 2 23 PHE HB3  2 24 CYS H    2.580 . 3.360 2.964 1.778 3.405 0.045  7 0 "[    .    1    .    2]" 1 
       171 2 23 PHE H    2 24 CYS H    2.425 . 3.050 2.290 2.056 2.650     .  0 0 "[    .    1    .    2]" 1 
       172 2 17 LYS H    2 18 ARG H    2.565 . 3.330 2.629 2.397 3.025     .  0 0 "[    .    1    .    2]" 1 
       173 2 20 LEU HA   2 24 CYS H    2.625 . 3.450 3.516 3.403 3.587 0.137  6 0 "[    .    1    .    2]" 1 
       174 2 20 LEU HA   2 22 ARG H    2.920 . 4.040 4.033 3.854 4.108 0.068 11 0 "[    .    1    .    2]" 1 
       175 1 20 ILE HA   1 23 CYS H    2.955 . 4.110 3.407 2.885 3.853     .  0 0 "[    .    1    .    2]" 1 
       176 1 19 GLN HA   1 23 CYS H    3.110 . 4.420 4.253 3.849 4.489 0.069 13 0 "[    .    1    .    2]" 1 
       177 2  5 ALA H    2  6 LEU H    2.395 . 2.990 2.706 2.487 2.859     .  0 0 "[    .    1    .    2]" 1 
       178 2  4 SER H    2  5 ALA H    2.640 . 3.480 2.673 2.325 2.921     .  0 0 "[    .    1    .    2]" 1 
       179 1 16 VAL HA   1 19 GLN H    2.565 . 3.330 3.300 3.157 3.402 0.072 11 0 "[    .    1    .    2]" 1 
       180 2 16 THR HB   2 18 ARG H    2.485 . 3.170 2.672 2.226 3.187 0.017  2 0 "[    .    1    .    2]" 1 
       181 2 22 ARG QB   2 23 PHE H    3.670 . 5.540 3.616 2.781 3.949     .  0 0 "[    .    1    .    2]" 1 
       182 1  9 LYS HA   1 10 LEU H    2.300 . 2.800 2.218 2.085 2.413     .  0 0 "[    .    1    .    2]" 1 
       183 1 17 ARG HB3  1 18 ALA H    2.795 . 3.790 3.093 1.827 3.514     .  0 0 "[    .    1    .    2]" 1 
       184 1 19 GLN HA   1 20 ILE H    2.705 . 3.610 3.530 3.506 3.568     .  0 0 "[    .    1    .    2]" 1 
       185 1 19 GLN HA   1 22 ILE HB   2.610 . 3.420 3.273 2.776 3.589 0.169  6 0 "[    .    1    .    2]" 1 
       186 2 17 LYS HB3  2 18 ARG H    2.535 . 3.270 2.784 2.602 3.061     .  0 0 "[    .    1    .    2]" 1 
       187 1 13 ARG HA   1 16 VAL HB   2.300 . 2.800 2.680 2.168 2.811 0.011 20 0 "[    .    1    .    2]" 1 
       188 2 16 THR HA   2 18 ARG H    3.295 . 4.790 4.099 3.722 4.529     .  0 0 "[    .    1    .    2]" 1 
       189 1 14 GLU HA   1 17 ARG HB2  2.440 . 3.080 2.328 2.162 2.750     .  0 0 "[    .    1    .    2]" 1 
       190 1 14 GLU HA   1 17 ARG HB3  2.780 . 3.760 3.620 2.613 3.833 0.073 13 0 "[    .    1    .    2]" 1 
       191 2  6 LEU HG   2  7 ALA H    3.260 . 4.720 3.677 3.207 4.663     .  0 0 "[    .    1    .    2]" 1 
       192 1 13 ARG QG   1 14 GLU H    4.090 . 6.380 3.875 2.519 4.538     .  0 0 "[    .    1    .    2]" 1 
       193 1  6 GLU HG2  1  7 VAL H    3.650 . 5.500 3.077 2.096 4.984     .  0 0 "[    .    1    .    2]" 1 
       194 1  6 GLU HG3  1  7 VAL H    3.650 . 5.500 3.468 2.062 5.389     .  0 0 "[    .    1    .    2]" 1 
       195 1  5 GLU QG   1  6 GLU H    4.090 . 6.380 4.052 2.887 4.867     .  0 0 "[    .    1    .    2]" 1 
       196 1  8 ILE HG13 1  9 LYS H    3.140 . 4.480 3.739 3.255 4.540 0.060 12 0 "[    .    1    .    2]" 1 
       197 1  8 ILE HG12 1  9 LYS H    3.060 . 4.320 4.144 3.298 4.417 0.097  6 0 "[    .    1    .    2]" 1 
       198 1  9 LYS QD   1 10 LEU H    4.090 . 6.380 5.502 2.882 6.097     .  0 0 "[    .    1    .    2]" 1 
       199 1  9 LYS HG2  1 10 LEU H    3.650 . 5.500 4.414 2.688 5.125     .  0 0 "[    .    1    .    2]" 1 
       200 1  9 LYS HG3  1 10 LEU H    3.450 . 5.100 4.398 2.919 5.135 0.035  3 0 "[    .    1    .    2]" 1 
       201 1 14 GLU HG3  1 15 LEU H    3.650 . 5.500 4.790 4.154 5.139     .  0 0 "[    .    1    .    2]" 1 
       202 1 19 GLN QG   1 20 ILE H    4.090 . 6.380 4.041 3.860 4.162     .  0 0 "[    .    1    .    2]" 1 
       203 2  1 PCA HG3  2  2 LEU H    3.650 . 5.500 5.125 4.782 5.521 0.021 13 0 "[    .    1    .    2]" 1 
       204 2  1 PCA HG2  2  2 LEU H    3.650 . 5.500 4.890 4.346 5.522 0.022 13 0 "[    .    1    .    2]" 1 
       205 1 25 MET QG   1 26 SER H    3.730 . 5.660 4.356 3.802 4.792     .  0 0 "[    .    1    .    2]" 1 
       206 2 18 ARG QG   2 19 SER H    3.145 . 4.490 4.077 2.144 4.517 0.027  2 0 "[    .    1    .    2]" 1 
       207 2 20 LEU HG   2 21 ALA H    3.260 . 4.720 4.642 3.712 4.797 0.077 17 0 "[    .    1    .    2]" 1 
       208 2 11 CYS HB3  2 12 HIS HD2  2.735 . 3.670 2.562 2.191 2.844     .  0 0 "[    .    1    .    2]" 1 
       209 2 11 CYS HB2  2 12 HIS HD2  3.030 . 4.260 4.232 3.916 4.306 0.046  8 0 "[    .    1    .    2]" 1 
       210 1 11 CYS HA   2 11 CYS HB2  2.485 . 3.170 3.031 2.714 3.209 0.039 17 0 "[    .    1    .    2]" 1 
       211 2  9 LYS QE   2 15 CYS HA   4.090 . 6.380 4.904 2.299 6.428 0.048 16 0 "[    .    1    .    2]" 1 
       212 2  2 LEU HA   2  3 TYR QE   4.715 . 7.630 7.441 6.477 7.943 0.313 10 0 "[    .    1    .    2]" 1 
       213 2  3 TYR QE   2  6 LEU HG   4.715 . 7.630 6.298 3.985 7.664 0.034 18 0 "[    .    1    .    2]" 1 
       214 2  3 TYR QE   2  6 LEU QB   5.155 . 8.510 4.951 3.401 5.941     .  0 0 "[    .    1    .    2]" 1 
       215 2  5 ALA HA   2  8 ASN HD22 3.650 . 5.500 4.831 3.561 5.533 0.033 20 0 "[    .    1    .    2]" 1 
       216 1  3 TRP HE3  2 17 LYS HB3  2.970 . 4.140 3.261 2.481 4.158 0.018 20 0 "[    .    1    .    2]" 1 
       217 2  3 TYR QE   2 23 PHE QE   5.775 . 9.750 5.677 4.178 7.489     .  0 0 "[    .    1    .    2]" 1 
       218 1 19 GLN HA   2 20 LEU HB2  2.395 . 2.990 3.092 3.052 3.143 0.153  5 0 "[    .    1    .    2]" 1 
       219 1  3 TRP HE3  1 22 ILE HA   3.650 . 5.500 5.269 4.433 5.557 0.057  6 0 "[    .    1    .    2]" 1 
       220 1 12 GLY H    2 11 CYS HB2  3.650 . 5.500 4.142 3.553 4.652     .  0 0 "[    .    1    .    2]" 1 
       221 1  6 GLU HB3  2 17 LYS QE   3.530 . 5.260 4.484 2.273 5.235     .  0 0 "[    .    1    .    2]" 1 
       222 1  3 TRP HZ2  1 25 MET QG   3.575 . 5.350 4.190 2.251 5.379 0.029  4 0 "[    .    1    .    2]" 1 
       223 1  6 GLU HB2  2 17 LYS QE   3.995 . 6.190 5.376 3.770 5.990     .  0 0 "[    .    1    .    2]" 1 
       224 1 10 LEU HG   1 11 CYS H    2.505 . 3.210 3.299 3.265 3.443 0.233  2 0 "[    .    1    .    2]" 1 
       225 1  9 LYS QE   2 12 HIS HA   4.090 . 6.380 4.537 3.098 6.402 0.022 13 0 "[    .    1    .    2]" 1 
       226 2 10 CYS HB3  2 15 CYS HB3  3.650 . 5.500 3.947 3.563 5.552 0.052 12 0 "[    .    1    .    2]" 1 
       227 2  3 TYR HB3  2 23 PHE QE   4.680 . 7.560 5.651 2.736 7.590 0.030  6 0 "[    .    1    .    2]" 1 
       228 2  3 TYR HB3  2 23 PHE QD   4.650 . 7.500 5.124 3.022 6.765     .  0 0 "[    .    1    .    2]" 1 
       229 2 20 LEU HA   2 23 PHE QD   3.980 . 6.160 3.210 2.582 4.690     .  0 0 "[    .    1    .    2]" 1 
       230 2  8 ASN HA   2 12 HIS HD2  2.985 . 4.170 3.121 2.615 4.007     .  0 0 "[    .    1    .    2]" 1 
       231 2  8 ASN QB   2 12 HIS HD2  4.090 . 6.380 3.624 2.925 5.119     .  0 0 "[    .    1    .    2]" 1 
       232 1 19 GLN HE22 2 20 LEU HB3  3.030 . 4.260 4.296 4.180 4.338 0.078  7 0 "[    .    1    .    2]" 1 
       233 2 20 LEU HB3  2 23 PHE QD   4.260 . 6.720 5.057 4.496 5.574     .  0 0 "[    .    1    .    2]" 1 
       234 2 22 ARG HG2  2 23 PHE H    3.650 . 5.500 3.747 2.940 4.953     .  0 0 "[    .    1    .    2]" 1 
       235 2 22 ARG HG3  2 23 PHE H    2.860 . 3.920 3.487 2.854 4.015 0.095 13 0 "[    .    1    .    2]" 1 
       236 1 20 ILE QG   1 21 ALA H    4.090 . 6.380 4.117 3.986 4.718     .  0 0 "[    .    1    .    2]" 1 
       237 1  1 ASP HA   1  3 TRP HZ3  3.590 . 5.380 5.294 3.846 5.501 0.121 13 0 "[    .    1    .    2]" 1 
       238 1 10 LEU HB2  1 15 LEU HA   2.955 . 4.110 3.034 2.584 3.485     .  0 0 "[    .    1    .    2]" 1 
       239 1 10 LEU HB3  1 15 LEU HA   2.580 . 3.360 3.056 2.387 3.684 0.324 11 0 "[    .    1    .    2]" 1 
       240 1  6 GLU HB3  2 17 LYS HB3  2.350 . 2.900 2.878 2.525 2.980 0.080  2 0 "[    .    1    .    2]" 1 
       241 2 10 CYS HB2  2 15 CYS HB3  3.510 . 5.220 3.250 1.920 5.253 0.033 12 0 "[    .    1    .    2]" 1 
       242 2  3 TYR QD   2 23 PHE QD   5.780 . 9.760 3.606 2.638 4.459     .  0 0 "[    .    1    .    2]" 1 
       243 2  3 TYR QE   2 23 PHE QD   5.775 . 9.750 4.235 3.127 6.066     .  0 0 "[    .    1    .    2]" 1 
       244 1  3 TRP HD1  1 28 TRP HD1  2.100 . 2.400 2.336 1.923 2.511 0.111 10 0 "[    .    1    .    2]" 1 
       245 1  6 GLU HB2  2 17 LYS HB3  2.705 . 3.610 3.224 2.035 3.681 0.071 19 0 "[    .    1    .    2]" 1 
       246 2 17 LYS HG2  2 18 ARG H    3.650 . 5.500 5.004 4.761 5.294     .  0 0 "[    .    1    .    2]" 1 
       247 1  3 TRP HE3  2 17 LYS HG2  2.720 . 3.640 2.782 2.078 3.490     .  0 0 "[    .    1    .    2]" 1 
       248 1  3 TRP HZ3  2 17 LYS HG2  3.590 . 5.380 2.992 2.131 4.916     .  0 0 "[    .    1    .    2]" 1 
       249 1  3 TRP HZ3  2 17 LYS HB3  2.985 . 4.170 4.202 4.011 4.284 0.114  8 0 "[    .    1    .    2]" 1 
       250 1 22 ILE QG   1 23 CYS H    3.175 . 4.550 4.120 3.729 4.656 0.106 17 0 "[    .    1    .    2]" 1 
       251 1  6 GLU HB3  2 17 LYS HG2  2.455 . 3.110 3.154 3.112 3.205 0.095 20 0 "[    .    1    .    2]" 1 
       252 1 19 GLN QG   2  3 TYR QE   5.155 . 8.510 5.097 3.671 7.702     .  0 0 "[    .    1    .    2]" 1 
       253 2 13 VAL MG1  2 14 GLY H    4.165 . 6.530 3.820 2.242 3.941     .  0 0 "[    .    1    .    2]" 1 
       254 2 13 VAL MG2  2 14 GLY H    4.165 . 6.530 2.031 1.853 4.127     .  0 0 "[    .    1    .    2]" 1 
       255 1  7 VAL MG1  1  8 ILE H    4.165 . 6.530 4.022 3.838 4.219     .  0 0 "[    .    1    .    2]" 1 
       256 1  7 VAL MG2  1  8 ILE H    3.325 . 4.850 2.656 2.437 3.048     .  0 0 "[    .    1    .    2]" 1 
       257 1  8 ILE MG   1  9 LYS H    4.100 . 6.400 3.571 2.809 3.740     .  0 0 "[    .    1    .    2]" 1 
       258 2 12 HIS H    2 13 VAL MG1  4.165 . 6.530 4.709 4.617 4.828     .  0 0 "[    .    1    .    2]" 1 
       259 2 12 HIS H    2 13 VAL MG2  4.165 . 6.530 4.058 3.855 5.488     .  0 0 "[    .    1    .    2]" 1 
       260 2  7 ALA MB   2  8 ASN H    3.185 . 4.570 2.363 2.271 2.510     .  0 0 "[    .    1    .    2]" 1 
       261 2  6 LEU MD2  2  7 ALA H    4.165 . 6.530 4.036 3.288 4.327     .  0 0 "[    .    1    .    2]" 1 
       262 2  5 ALA MB   2  6 LEU H    3.080 . 4.360 2.429 2.240 2.810     .  0 0 "[    .    1    .    2]" 1 
       263 1 27 THR MG   1 28 TRP H    3.590 . 5.380 3.573 1.758 4.010 0.042 10 0 "[    .    1    .    2]" 1 
       264 1  8 ILE MD   1  9 LYS H    4.165 . 6.530 4.180 3.527 4.589     .  0 0 "[    .    1    .    2]" 1 
       265 1 15 LEU HA   1 18 ALA MB   2.895 . 3.990 2.875 2.557 3.631     .  0 0 "[    .    1    .    2]" 1 
       266 1 16 VAL MG1  1 17 ARG H    3.715 . 5.630 3.524 3.375 3.760     .  0 0 "[    .    1    .    2]" 1 
       267 2 21 ALA MB   2 22 ARG H    3.235 . 4.670 2.625 2.392 2.918     .  0 0 "[    .    1    .    2]" 1 
       268 2  6 LEU MD1  2  7 ALA H    4.165 . 6.530 4.442 4.211 4.568     .  0 0 "[    .    1    .    2]" 1 
       269 1 18 ALA MB   1 19 GLN H    2.985 . 4.170 2.459 2.234 2.599     .  0 0 "[    .    1    .    2]" 1 
       270 2  3 TYR QE   2  6 LEU MD1  4.995 . 8.190 6.034 4.369 7.462     .  0 0 "[    .    1    .    2]" 1 
       271 2 16 THR MG   2 17 LYS H    4.165 . 6.530 3.484 3.335 3.621     .  0 0 "[    .    1    .    2]" 1 
       272 2 16 THR MG   2 19 SER H    4.165 . 6.530 4.431 4.159 4.685     .  0 0 "[    .    1    .    2]" 1 
       273 2 17 LYS HA   2 20 LEU MD1  2.985 . 4.170 2.081 1.851 4.247 0.077 17 0 "[    .    1    .    2]" 1 
       274 2 17 LYS HA   2 20 LEU MD2  2.895 . 3.990 3.938 1.868 4.100 0.110 11 0 "[    .    1    .    2]" 1 
       275 2 18 ARG HA   2 21 ALA MB   3.015 . 4.230 2.105 1.900 2.340     .  0 0 "[    .    1    .    2]" 1 
       276 1  3 TRP HZ3  2 21 ALA MB   3.805 . 5.810 4.500 2.378 5.814 0.004  6 0 "[    .    1    .    2]" 1 
       277 2 20 LEU MD1  2 21 ALA H    3.480 . 5.160 3.530 3.333 4.323     .  0 0 "[    .    1    .    2]" 1 
       278 2 20 LEU MD2  2 21 ALA H    4.165 . 6.530 4.765 3.334 5.008     .  0 0 "[    .    1    .    2]" 1 
       279 2 12 HIS HD2  2 13 VAL MG1  3.805 . 5.810 5.850 5.826 5.867 0.057 11 0 "[    .    1    .    2]" 1 
       280 2 12 HIS HD2  2 13 VAL MG2  4.025 . 6.250 5.699 5.468 6.410 0.160  8 0 "[    .    1    .    2]" 1 
       281 2  3 TYR QD   2  6 LEU MD2  5.235 . 8.670 3.463 2.283 4.934     .  0 0 "[    .    1    .    2]" 1 
       282 1  7 VAL MG1  2 16 THR HA   3.280 . 4.760 4.457 4.182 4.742     .  0 0 "[    .    1    .    2]" 1 
       283 1  7 VAL MG2  2 16 THR HA   3.805 . 5.810 3.080 2.693 3.420     .  0 0 "[    .    1    .    2]" 1 
       284 1  7 VAL MG2  2 15 CYS HA   4.165 . 6.530 3.298 2.150 3.733     .  0 0 "[    .    1    .    2]" 1 
       285 2 15 CYS HA   2 16 THR MG   3.995 . 6.190 3.721 3.593 3.848     .  0 0 "[    .    1    .    2]" 1 
       286 1 15 LEU MD1  1 16 VAL H    3.650 . 5.500 4.365 4.063 4.593     .  0 0 "[    .    1    .    2]" 1 
       287 1 15 LEU MD2  1 16 VAL H    4.165 . 6.530 4.476 3.951 4.737     .  0 0 "[    .    1    .    2]" 1 
       288 1 19 GLN HE22 2 20 LEU MD1  4.165 . 6.530 6.012 4.040 6.552 0.022 15 0 "[    .    1    .    2]" 1 
       289 2  3 TYR QE   2  6 LEU MD2  4.255 . 6.710 3.843 1.984 5.734     .  0 0 "[    .    1    .    2]" 1 
       290 1 21 ALA MB   1 22 ILE H    3.015 . 4.230 2.612 2.374 3.010     .  0 0 "[    .    1    .    2]" 1 
       291 1 10 LEU MD1  1 14 GLU H    4.165 . 6.530 6.211 4.610 6.568 0.038  8 0 "[    .    1    .    2]" 1 
       292 1  7 VAL MG2  2 15 CYS H    3.700 . 5.600 2.883 2.697 3.134     .  0 0 "[    .    1    .    2]" 1 
       293 1 19 GLN HA   2 20 LEU MD1  3.730 . 5.660 4.445 3.419 4.824     .  0 0 "[    .    1    .    2]" 1 
       294 1 19 GLN HA   2 20 LEU MD2  3.805 . 5.810 3.473 3.046 4.767     .  0 0 "[    .    1    .    2]" 1 
       295 1  7 VAL MG1  2 16 THR MG   4.090 . 6.380 3.749 3.440 4.078     .  0 0 "[    .    1    .    2]" 1 
       296 1  7 VAL MG2  2 16 THR MG   4.680 . 7.560 2.943 2.515 3.408     .  0 0 "[    .    1    .    2]" 1 
       297 1  7 VAL MG1  2 16 THR HB   4.165 . 6.530 5.754 5.366 6.111     .  0 0 "[    .    1    .    2]" 1 
       298 1 10 LEU MD2  1 14 GLU HB2  4.165 . 6.530 3.528 2.936 5.331     .  0 0 "[    .    1    .    2]" 1 
       299 1 10 LEU MD2  1 14 GLU HB3  3.360 . 4.920 2.536 1.856 4.930 0.010 13 0 "[    .    1    .    2]" 1 
       300 1 10 LEU MD1  1 14 GLU HB3  2.940 . 4.080 3.764 2.153 4.115 0.035  7 0 "[    .    1    .    2]" 1 
       301 1 10 LEU MD1  1 14 GLU HB2  3.790 . 5.780 4.434 2.596 4.892     .  0 0 "[    .    1    .    2]" 1 
       302 1 10 LEU MD1  1 11 CYS H    3.450 . 5.100 4.086 2.634 4.237     .  0 0 "[    .    1    .    2]" 1 
       303 1 10 LEU MD2  1 11 CYS H    4.165 . 6.530 3.945 3.789 4.310     .  0 0 "[    .    1    .    2]" 1 
       304 1 19 GLN QG   2 20 LEU MD1  4.600 . 7.400 3.794 2.425 4.119     .  0 0 "[    .    1    .    2]" 1 
       305 1 19 GLN QG   2 20 LEU MD2  4.600 . 7.400 2.148 1.859 3.583     .  0 0 "[    .    1    .    2]" 1 
       306 1  8 ILE MD   1 18 ALA MB   4.075 . 6.350 2.684 2.100 3.506     .  0 0 "[    .    1    .    2]" 1 
       307 1  8 ILE MG   1 18 ALA MB   4.215 . 6.630 4.091 3.260 5.349     .  0 0 "[    .    1    .    2]" 1 
       308 1  3 TRP HZ3  1 22 ILE MD   3.340 . 4.880 2.968 1.951 3.821     .  0 0 "[    .    1    .    2]" 1 
       309 1  3 TRP HZ3  1 22 ILE MG   3.730 . 5.660 3.645 2.161 5.643     .  0 0 "[    .    1    .    2]" 1 
       310 1 19 GLN HA   1 22 ILE MD   3.745 . 5.690 3.695 2.169 5.476     .  0 0 "[    .    1    .    2]" 1 
       311 1 22 ILE MD   2 21 ALA HA   2.940 . 4.080 3.142 2.378 4.181 0.101 13 0 "[    .    1    .    2]" 1 
       312 2 12 HIS HB2  2 13 VAL MG2  4.165 . 6.530 3.207 2.874 4.126     .  0 0 "[    .    1    .    2]" 1 
       313 2 12 HIS HB3  2 13 VAL MG2  4.165 . 6.530 3.789 3.400 4.197     .  0 0 "[    .    1    .    2]" 1 
       314 2 12 HIS HB3  2 13 VAL MG1  3.465 . 5.130 2.859 2.522 4.918     .  0 0 "[    .    1    .    2]" 1 
       315 2 12 HIS HB2  2 13 VAL MG1  3.730 . 5.660 3.326 3.147 4.116     .  0 0 "[    .    1    .    2]" 1 
       316 2  9 LYS QE   2 13 VAL MG2  4.600 . 7.400 3.520 2.054 5.429     .  0 0 "[    .    1    .    2]" 1 
       317 2  9 LYS QE   2 13 VAL MG1  4.600 . 7.400 5.133 3.511 6.897     .  0 0 "[    .    1    .    2]" 1 
       318 1 22 ILE MD   1 23 CYS H    3.590 . 5.380 4.337 3.630 4.684     .  0 0 "[    .    1    .    2]" 1 
       319 1 20 ILE MD   1 21 ALA H    3.530 . 5.260 4.690 4.311 5.030     .  0 0 "[    .    1    .    2]" 1 
       320 1 16 VAL MG2  1 17 ARG H    3.635 . 5.470 3.743 3.652 3.843     .  0 0 "[    .    1    .    2]" 1 
       321 2 20 LEU MD2  2 23 PHE QD   5.225 . 8.650 5.678 4.647 6.318     .  0 0 "[    .    1    .    2]" 1 
       322 2  6 LEU MD2  2 23 PHE QE   4.340 . 6.880 3.547 2.838 5.285     .  0 0 "[    .    1    .    2]" 1 
       323 1  8 ILE MG   2 17 LYS QE   3.595 . 5.390 3.346 2.252 4.412     .  0 0 "[    .    1    .    2]" 1 
       324 1  8 ILE MD   2 17 LYS QE   4.275 . 6.750 2.731 2.087 4.152     .  0 0 "[    .    1    .    2]" 1 
       325 2  2 LEU H    2  5 ALA MB   3.480 . 5.160 4.521 4.273 4.896     .  0 0 "[    .    1    .    2]" 1 
       326 1 20 ILE H    1 21 ALA MB   4.165 . 6.530 4.425 4.328 4.496     .  0 0 "[    .    1    .    2]" 1 
       327 1  3 TRP HH2  1 22 ILE MD   3.465 . 5.130 4.085 2.474 5.164 0.034  2 0 "[    .    1    .    2]" 1 
       328 1  5 GLU HA   2 16 THR MG   3.325 . 4.850 4.336 3.395 4.930 0.080 10 0 "[    .    1    .    2]" 1 
       329 1  7 VAL HA   2 16 THR MG   3.745 . 5.690 3.323 2.861 3.843     .  0 0 "[    .    1    .    2]" 1 
       330 1 13 ARG HA   1 16 VAL MG1  2.940 . 4.080 4.027 3.676 4.111 0.031  8 0 "[    .    1    .    2]" 1 
       331 2  9 LYS HA   2 13 VAL MG1  3.235 . 4.670 4.509 3.527 4.700 0.030 13 0 "[    .    1    .    2]" 1 
       332 1 15 LEU MD1  2  7 ALA HA   2.955 . 4.110 2.758 1.829 3.992     .  0 0 "[    .    1    .    2]" 1 
       333 2  6 LEU MD2  2 20 LEU HB2  2.910 . 4.020 4.087 4.026 4.186 0.166 11 0 "[    .    1    .    2]" 1 
       334 1 10 LEU HB2  1 15 LEU MD2  3.250 . 4.700 3.359 2.104 4.722 0.022  1 0 "[    .    1    .    2]" 1 
       335 1 15 LEU MD2  1 18 ALA MB   4.230 . 6.660 4.399 3.387 5.360     .  0 0 "[    .    1    .    2]" 1 
       336 1 10 LEU MD2  1 15 LEU HA   3.080 . 4.360 3.077 2.624 3.637     .  0 0 "[    .    1    .    2]" 1 
       337 1  7 VAL MG2  2 14 GLY HA2  2.970 . 4.140 4.159 3.930 4.231 0.091 10 0 "[    .    1    .    2]" 1 
       338 1  7 VAL MG2  2 14 GLY HA3  3.530 . 5.260 3.115 2.781 3.324     .  0 0 "[    .    1    .    2]" 1 
       339 1 13 ARG HA   1 16 VAL MG2  3.635 . 5.470 2.552 2.194 3.135     .  0 0 "[    .    1    .    2]" 1 
       340 1 11 CYS HB2  1 15 LEU MD2  3.480 . 5.160 4.895 3.866 5.239 0.079 12 0 "[    .    1    .    2]" 1 
       341 1 11 CYS HB2  1 15 LEU MD1  3.155 . 4.510 4.561 4.150 4.751 0.241 17 0 "[    .    1    .    2]" 1 
       342 1 11 CYS HB3  1 15 LEU MD2  3.325 . 4.850 4.825 4.422 4.945 0.095  9 0 "[    .    1    .    2]" 1 
       343 2  4 SER HA   2  7 ALA MB   3.205 . 4.610 2.601 2.122 3.653     .  0 0 "[    .    1    .    2]" 1 
       344 2 16 THR MG   2 18 ARG H    3.575 . 5.350 4.275 3.886 4.723     .  0 0 "[    .    1    .    2]" 1 
       345 1  8 ILE MD   2 17 LYS HA   3.855 . 5.910 3.660 2.678 4.931     .  0 0 "[    .    1    .    2]" 1 
       346 1 10 LEU MD2  1 18 ALA H    3.825 . 5.850 3.793 3.215 5.540     .  0 0 "[    .    1    .    2]" 1 
       347 1 10 LEU MD2  1 18 ALA MB   3.750 . 5.700 2.439 1.964 3.656     .  0 0 "[    .    1    .    2]" 1 
       348 1  6 GLU HB2  1  8 ILE MG   3.915 . 6.030 4.974 4.127 5.599     .  0 0 "[    .    1    .    2]" 1 
       349 2  6 LEU MD2  2 20 LEU HG   2.675 . 3.550 2.488 1.991 3.675 0.125 17 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              30
    _Distance_constraint_stats_list.Viol_count                    77
    _Distance_constraint_stats_list.Viol_total                    45.856
    _Distance_constraint_stats_list.Viol_max                      0.093
    _Distance_constraint_stats_list.Viol_rms                      0.0134
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0038
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0298
    _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 11 CYS 0.233 0.057 10 0 "[    .    1    .    2]" 
       1 12 GLY 0.952 0.093 18 0 "[    .    1    .    2]" 
       1 13 ARG 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 14 GLU 0.024 0.024  2 0 "[    .    1    .    2]" 
       1 15 LEU 0.233 0.057 10 0 "[    .    1    .    2]" 
       1 16 VAL 0.952 0.093 18 0 "[    .    1    .    2]" 
       1 17 ARG 0.093 0.045  2 0 "[    .    1    .    2]" 
       1 18 ALA 0.042 0.024  2 0 "[    .    1    .    2]" 
       1 20 ILE 0.034 0.017 10 0 "[    .    1    .    2]" 
       1 21 ALA 0.093 0.045  2 0 "[    .    1    .    2]" 
       1 22 ILE 0.018 0.017  8 0 "[    .    1    .    2]" 
       1 24 GLY 0.034 0.017 10 0 "[    .    1    .    2]" 
       2  2 LEU 0.011 0.007 19 0 "[    .    1    .    2]" 
       2  5 ALA 0.018 0.018  6 0 "[    .    1    .    2]" 
       2  6 LEU 0.011 0.007 19 0 "[    .    1    .    2]" 
       2  7 ALA 0.288 0.065  8 0 "[    .    1    .    2]" 
       2  8 ASN 0.000 0.000  . 0 "[    .    1    .    2]" 
       2  9 LYS 0.018 0.018  6 0 "[    .    1    .    2]" 
       2 11 CYS 0.288 0.065  8 0 "[    .    1    .    2]" 
       2 12 HIS 0.000 0.000  . 0 "[    .    1    .    2]" 
       2 16 THR 0.480 0.086 12 0 "[    .    1    .    2]" 
       2 18 ARG 0.143 0.049 20 0 "[    .    1    .    2]" 
       2 20 LEU 0.480 0.086 12 0 "[    .    1    .    2]" 
       2 22 ARG 0.143 0.049 20 0 "[    .    1    .    2]" 
       2 24 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 2  2 LEU O 2  6 LEU H 1.600 . 2.300 2.074 1.821 2.307 0.007 19 0 "[    .    1    .    2]" 2 
        2 2  2 LEU O 2  6 LEU N 2.400 . 3.300 2.999 2.797 3.243     .  0 0 "[    .    1    .    2]" 2 
        3 2  5 ALA O 2  9 LYS H 1.600 . 2.300 1.897 1.713 2.318 0.018  6 0 "[    .    1    .    2]" 2 
        4 2  5 ALA O 2  9 LYS N 2.400 . 3.300 2.833 2.668 3.282     .  0 0 "[    .    1    .    2]" 2 
        5 2  7 ALA O 2 11 CYS H 1.600 . 2.300 2.219 1.956 2.365 0.065  8 0 "[    .    1    .    2]" 2 
        6 2  7 ALA O 2 11 CYS N 2.400 . 3.300 3.044 2.812 3.189     .  0 0 "[    .    1    .    2]" 2 
        7 2  8 ASN O 2 12 HIS H 1.600 . 2.300 1.969 1.779 2.248     .  0 0 "[    .    1    .    2]" 2 
        8 2  8 ASN O 2 12 HIS N 2.400 . 3.300 2.830 2.685 2.980     .  0 0 "[    .    1    .    2]" 2 
        9 2 16 THR O 2 20 LEU H 1.600 . 2.300 2.288 2.157 2.386 0.086 12 0 "[    .    1    .    2]" 2 
       10 2 16 THR O 2 20 LEU N 2.400 . 3.300 3.190 3.064 3.286     .  0 0 "[    .    1    .    2]" 2 
       11 2 18 ARG O 2 22 ARG H 1.600 . 2.300 2.215 2.034 2.349 0.049 20 0 "[    .    1    .    2]" 2 
       12 2 18 ARG O 2 22 ARG N 2.400 . 3.300 3.013 2.814 3.224     .  0 0 "[    .    1    .    2]" 2 
       13 2 20 LEU O 2 24 CYS H 1.600 . 2.300 1.835 1.651 2.214     .  0 0 "[    .    1    .    2]" 2 
       14 2 20 LEU O 2 24 CYS N 2.400 . 3.300 2.717 2.612 2.873     .  0 0 "[    .    1    .    2]" 2 
       15 1 11 CYS O 1 15 LEU H 1.600 . 2.300 2.236 2.005 2.357 0.057 10 0 "[    .    1    .    2]" 2 
       16 1 11 CYS O 1 15 LEU N 2.400 . 3.300 3.114 2.873 3.233     .  0 0 "[    .    1    .    2]" 2 
       17 1 12 GLY O 1 16 VAL H 1.600 . 2.300 2.331 2.202 2.393 0.093 18 0 "[    .    1    .    2]" 2 
       18 1 12 GLY O 1 16 VAL N 2.400 . 3.300 3.247 3.111 3.326 0.026  5 0 "[    .    1    .    2]" 2 
       19 1 13 ARG O 1 17 ARG H 1.600 . 2.300 1.884 1.794 2.015     .  0 0 "[    .    1    .    2]" 2 
       20 1 13 ARG O 1 17 ARG N 2.400 . 3.300 2.806 2.732 2.931     .  0 0 "[    .    1    .    2]" 2 
       21 1 14 GLU O 1 18 ALA H 1.600 . 2.300 2.028 1.852 2.324 0.024  2 0 "[    .    1    .    2]" 2 
       22 1 14 GLU O 1 18 ALA N 2.400 . 3.300 2.962 2.802 3.273     .  0 0 "[    .    1    .    2]" 2 
       23 1 16 VAL O 1 20 ILE H 1.600 . 2.300 1.800 1.715 1.928     .  0 0 "[    .    1    .    2]" 2 
       24 1 16 VAL O 1 20 ILE N 2.400 . 3.300 2.779 2.697 2.875     .  0 0 "[    .    1    .    2]" 2 
       25 1 17 ARG O 1 21 ALA H 1.600 . 2.300 2.125 1.847 2.345 0.045  2 0 "[    .    1    .    2]" 2 
       26 1 17 ARG O 1 21 ALA N 2.400 . 3.300 3.005 2.753 3.251     .  0 0 "[    .    1    .    2]" 2 
       27 1 18 ALA O 1 22 ILE H 1.600 . 2.300 2.067 1.828 2.317 0.017  8 0 "[    .    1    .    2]" 2 
       28 1 18 ALA O 1 22 ILE N 2.400 . 3.300 2.915 2.763 3.123     .  0 0 "[    .    1    .    2]" 2 
       29 1 20 ILE O 1 24 GLY H 1.600 . 2.300 2.101 1.877 2.317 0.017 10 0 "[    .    1    .    2]" 2 
       30 1 20 ILE O 1 24 GLY N 2.400 . 3.300 2.914 2.727 3.061     .  0 0 "[    .    1    .    2]" 2 
    stop_

save_



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