NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage program type subtype subsubtype
382015 1jau cing 4-filtered-FRED Wattos check violation distance


data_1jau


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              357
    _Distance_constraint_stats_list.Viol_count                    5238
    _Distance_constraint_stats_list.Viol_total                    124141.109
    _Distance_constraint_stats_list.Viol_max                      3.183
    _Distance_constraint_stats_list.Viol_rms                      0.4526
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.2173
    _Distance_constraint_stats_list.Viol_average_violations_only  0.5925
    _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 LYS  35.084 1.016 10 28 "[ * ******+*  ** * *2*  ***********.**- 4]" 
       1  2 TRP 179.156 1.020 29 40  [************************-***+***********]  
       1  3 ALA 136.538 0.977  8 38 "[*******+************ ***-* *************]" 
       1  4 SER 132.697 1.020 29 36 "[*******************-** ** **+3****** ***]" 
       1  5 LEU 366.297 2.914  8 40  [*******+***********-********************]  
       1  6 TRP 292.731 2.914  8 40  [*******+*-******************************]  
       1  7 ASN 300.293 3.183  7 40  [**-***+*********************************]  
       1  8 TRP 413.183 1.378 22 40  [*********************+**************-***]  
       1  9 PHE 295.725 2.640 17 40  [****************+*******************-***]  
       1 10 ASN 164.941 1.005  6 40  [**-**+**********************************]  
       1 11 ILE 461.947 3.183  7 40  [******+******************-**************]  
       1 12 THR 290.762 1.044 23 40  [***************-******+*****************]  
       1 13 ASN 345.657 2.837 30 40  [***************-*************+**********]  
       1 14 TRP 633.168 2.010 27 40  [****************-*********+*************]  
       1 15 LEU 272.760 2.143  9 40  [********+******-************************]  
       1 16 TRP 830.528 2.837 30 40  [*****************************+*-********]  
       1 17 TYR 389.886 2.557 14 40  [*************+*****************-********]  
       1 18 ILE 173.320 1.048 25 40  [*******-****************+***************]  
       1 19 LYS  58.964 0.964 10 40  [*********+***********************-******]  
    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 LYS HA  1  1 LYS QB  2.800 . 2.800 2.499 2.180 2.542     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
         2 1  1 LYS HA  1  1 LYS QD  5.000 . 5.000 3.212 2.180 4.347     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
         3 1  1 LYS QB  1  1 LYS QD  2.800 . 2.800 2.083 1.894 2.331     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
         4 1  1 LYS QB  1  2 TRP HD1 5.000 . 5.000 4.405 2.787 5.362 0.362 28  0 "[    .    1    .    2    .    3    .    4]" 1 
         5 1  1 LYS QD  1  2 TRP HE1 5.000 . 5.000 3.719 2.898 4.877     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
         6 1  1 LYS HA  1  2 TRP H   2.800 . 2.800 2.537 2.219 2.862 0.062 19  0 "[    .    1    .    2    .    3    .    4]" 1 
         7 1  1 LYS QB  1  2 TRP H   3.400 . 3.400 2.519 1.861 3.532 0.132 31  0 "[    .    1    .    2    .    3    .    4]" 1 
         8 1  1 LYS QD  1  2 TRP HZ2 5.000 . 5.000 5.319 4.145 6.016 1.016 10 17 "[ * ** ***+*   .   *2*   *  * **** .  - 4]" 1 
         9 1  1 LYS QE  1  2 TRP HZ2 5.000 . 5.000 5.151 3.798 5.966 0.966 26 18 "[   *.* * 1   ** *  2   *.+***3****.**- 4]" 1 
        10 1  2 TRP QB  1  2 TRP HD1 2.800 . 2.800 2.637 2.584 2.684     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        11 1  2 TRP QB  1  2 TRP HE3 2.800 . 2.800 2.526 2.468 2.611     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        12 1  2 TRP H   1  2 TRP QB  3.400 . 3.400 2.739 2.437 3.274     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        13 1  2 TRP H   1  2 TRP HD1 3.400 . 3.400 2.440 2.097 3.187     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        14 1  2 TRP H   1  2 TRP HE3 5.000 . 5.000 4.990 4.614 5.350 0.350 32  0 "[    .    1    .    2    .    3    .    4]" 1 
        15 1  2 TRP QB  1  2 TRP HZ3 5.000 . 5.000 4.773 4.728 4.836     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        16 1  1 LYS HA  1  3 ALA H   5.000 . 5.000 4.053 3.652 4.608     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        17 1  1 LYS QB  1  3 ALA H   5.000 . 5.000 2.239 1.991 3.090     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        18 1  1 LYS QG  1  3 ALA H   5.000 . 5.000 3.751 1.990 4.472     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        19 1  2 TRP QB  1  3 ALA MB  5.000 . 5.000 4.955 4.850 5.020 0.020 31  0 "[    .    1    .    2    .    3    .    4]" 1 
        20 1  2 TRP HD1 1  3 ALA MB  5.000 . 5.000 5.366 4.547 5.928 0.928 22 17 "[*   .*   1**  . * ** +* .    ** **. **-*]" 1 
        21 1  2 TRP HE3 1  3 ALA MB  5.000 . 5.000 4.931 4.479 5.315 0.315 35  0 "[    .    1    .    2    .    3    .    4]" 1 
        22 1  2 TRP H   1  3 ALA MB  5.000 . 5.000 3.907 3.435 4.225     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        23 1  2 TRP HZ3 1  3 ALA MB  5.000 . 5.000 5.408 4.766 5.907 0.907  2 14 "[ +**-  * 1    .* **2   **   *3**  *    4]" 1 
        24 1  2 TRP HA  1  3 ALA H   2.800 . 2.800 3.164 2.967 3.336 0.536 26  2 "[    .    1    .    2    .+   3    .-   4]" 1 
        25 1  2 TRP QB  1  3 ALA H   3.400 . 3.400 3.929 3.795 4.009 0.609 19 29 "[*** **** 1*** .***+* ***-  * ** *** ****]" 1 
        26 1  2 TRP HD1 1  3 ALA H   5.000 . 5.000 4.599 3.949 5.135 0.135 22  0 "[    .    1    .    2    .    3    .    4]" 1 
        27 1  2 TRP HE3 1  3 ALA H   5.000 . 5.000 4.827 4.304 5.186 0.186 25  0 "[    .    1    .    2    .    3    .    4]" 1 
        28 1  2 TRP H   1  3 ALA H   3.400 . 3.400 2.469 1.997 2.813     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        29 1  3 ALA H   1  3 ALA HA  2.800 . 2.800 2.868 2.832 2.885 0.085 19  0 "[    .    1    .    2    .    3    .    4]" 1 
        30 1  3 ALA H   1  3 ALA MB  2.800 . 2.800 2.144 2.039 2.272     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        31 1  1 LYS QB  1  4 SER H   5.000 . 5.000 4.684 3.877 5.724 0.724 24  1 "[    .    1    .    2   +.    3    .    4]" 1 
        32 1  2 TRP QB  1  4 SER QB  5.000 . 5.000 5.579 5.032 6.020 1.020 29 25 "[ ***.* **** * .- ***** ** * +3**  ** * *]" 1 
        33 1  2 TRP HA  1  4 SER H   2.800 . 2.800 3.076 2.983 3.133 0.333 35  0 "[    .    1    .    2    .    3    .    4]" 1 
        34 1  3 ALA MB  1  4 SER HA  5.000 . 5.000 4.118 3.979 4.226     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        35 1  3 ALA MB  1  4 SER QB  5.000 . 5.000 4.636 4.183 4.944     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        36 1  3 ALA HA  1  4 SER H   2.800 . 2.800 3.035 2.925 3.247 0.447 37  0 "[    .    1    .    2    .    3    .    4]" 1 
        37 1  3 ALA MB  1  4 SER H   3.400 . 3.400 3.561 3.361 3.641 0.241 33  0 "[    .    1    .    2    .    3    .    4]" 1 
        38 1  3 ALA H   1  4 SER H   3.400 . 3.400 2.926 2.662 3.061     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        39 1  4 SER H   1  4 SER QB  3.400 . 3.400 2.711 2.243 3.112     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        40 1  2 TRP QB  1  5 LEU QB  5.000 . 5.000 4.559 3.966 5.610 0.610 32  1 "[    .    1    .    2    .    3 +  .    4]" 1 
        41 1  2 TRP HE3 1  5 LEU QB  5.000 . 5.000 4.384 4.239 4.705     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        42 1  2 TRP HE3 1  5 LEU QD  5.000 . 5.000 1.895 1.833 2.007     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        43 1  2 TRP HH2 1  5 LEU QD  5.000 . 5.000 4.498 3.806 4.971     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        44 1  2 TRP HZ3 1  5 LEU QD  5.000 . 5.000 2.702 2.131 3.313     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        45 1  2 TRP QB  1  5 LEU QD  5.000 . 5.000 2.319 1.983 3.084     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        46 1  2 TRP HD1 1  5 LEU QD  5.000 . 5.000 5.320 5.036 5.847 0.847 14  9 "[    .    1*  +-    2**  .**  3 *  .*   4]" 1 
        47 1  2 TRP HZ2 1  5 LEU QD  5.000 . 5.000 5.514 5.095 5.709 0.709 13 21 "[*- *.   ** *+ .** *2******  *3    . ****]" 1 
        48 1  3 ALA HA  1  5 LEU H   5.000 . 5.000 3.401 3.129 4.012     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        49 1  3 ALA MB  1  5 LEU H   5.000 . 5.000 4.412 4.044 4.935     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        50 1  3 ALA H   1  5 LEU H   5.000 . 5.000 5.050 4.784 5.593 0.593 24  1 "[    .    1    .    2   +.    3    .    4]" 1 
        51 1  4 SER HA  1  5 LEU QD  5.000 . 5.000 5.081 4.946 5.223 0.223 37  0 "[    .    1    .    2    .    3    .    4]" 1 
        52 1  4 SER HA  1  5 LEU H   2.800 . 2.800 2.929 2.640 3.075 0.275 29  0 "[    .    1    .    2    .    3    .    4]" 1 
        53 1  4 SER QB  1  5 LEU H   3.400 . 3.400 3.864 3.692 4.058 0.658 31 13 "[    .*  *1*   .   *-** *. *  3+*  .*   *]" 1 
        54 1  4 SER H   1  5 LEU H   2.800 . 2.800 2.646 2.088 2.922 0.122 26  0 "[    .    1    .    2    .    3    .    4]" 1 
        55 1  5 LEU MD1 1  5 LEU MD2 2.800 . 2.800 2.012 1.898 2.085     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        56 1  5 LEU QB  1  5 LEU HG  2.800 . 2.800 2.493 2.480 2.506     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        57 1  5 LEU H   1  5 LEU QB  2.800 . 2.800 3.027 2.844 3.140 0.340 31  0 "[    .    1    .    2    .    3    .    4]" 1 
        58 1  5 LEU H   1  5 LEU QD  5.000 . 5.000 3.112 2.951 3.299     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        59 1  5 LEU H   1  5 LEU HG  3.400 . 3.400 2.174 1.962 2.451     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        60 1  3 ALA HA  1  6 TRP QB  5.000 . 5.000 4.146 3.655 5.190 0.190 24  0 "[    .    1    .    2    .    3    .    4]" 1 
        61 1  3 ALA HA  1  6 TRP HD1 3.400 . 3.400 2.883 2.210 3.591 0.191 26  0 "[    .    1    .    2    .    3    .    4]" 1 
        62 1  3 ALA MB  1  6 TRP HD1 5.000 . 5.000 3.047 2.357 4.267     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        63 1  3 ALA HA  1  6 TRP HE1 5.000 . 5.000 4.745 3.669 5.731 0.731 26  4 "[    .    1   **    2    .+   3 -  .    4]" 1 
        64 1  3 ALA HA  1  6 TRP H   5.000 . 5.000 4.023 3.533 4.730     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        65 1  3 ALA MB  1  6 TRP H   5.000 . 5.000 4.818 4.307 5.616 0.616 24  1 "[    .    1    .    2   +.    3    .    4]" 1 
        66 1  4 SER HA  1  6 TRP H   5.000 . 5.000 3.862 3.567 4.344     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        67 1  5 LEU QD  1  6 TRP HA  5.000 . 5.000 2.923 2.486 3.289     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        68 1  5 LEU HA  1  6 TRP H   3.400 . 3.400 3.371 3.217 3.505 0.105 19  0 "[    .    1    .    2    .    3    .    4]" 1 
        69 1  5 LEU QB  1  6 TRP H   3.400 . 3.400 3.740 3.500 3.919 0.519  8  3 "[    .  + -    .    2    .    *    .    4]" 1 
        70 1  5 LEU QD  1  6 TRP H   5.000 . 5.000 3.074 2.614 3.535     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        71 1  5 LEU HG  1  6 TRP H   3.400 . 3.400 2.773 2.164 3.323     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        72 1  5 LEU H   1  6 TRP H   2.800 . 2.800 1.814 1.621 2.055 0.179 24  0 "[    .    1    .    2    .    3    .    4]" 1 
        73 1  5 LEU QD  1  6 TRP HZ3 5.000 . 5.000 7.677 7.362 7.914 2.914  8 40  [*******+****************************-***]  1 
        74 1  6 TRP HA  1  6 TRP QB  2.800 . 2.800 2.168 2.156 2.182     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        75 1  6 TRP QB  1  6 TRP HD1 3.400 . 3.400 2.584 2.560 2.630     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        76 1  6 TRP QB  1  6 TRP HE3 3.400 . 3.400 2.614 2.536 2.666     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        77 1  6 TRP H   1  6 TRP QB      . . 2.800 2.431 2.191 2.634     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        78 1  6 TRP H   1  6 TRP HD1 3.400 . 3.400 2.855 2.608 3.208     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        79 1  6 TRP H   1  6 TRP HE1 5.000 . 5.000 4.983 4.579 5.339 0.339 12  0 "[    .    1    .    2    .    3    .    4]" 1 
        80 1  6 TRP QB  1  6 TRP HZ3 5.000 . 5.000 4.838 4.781 4.875     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        81 1  3 ALA MB  1  7 ASN QD  5.000 . 5.000 5.017 3.395 5.737 0.737 13 13 "[* ***   *1  + **   2    *    3   *. ** -]" 1 
        82 1  3 ALA HA  1  7 ASN H   5.000 . 5.000 5.522 4.935 5.977 0.977  8 22 "[*  *. *+**  **** **2   *.* *** ** -  * *]" 1 
        83 1  4 SER HA  1  7 ASN QB  5.000 . 5.000 4.339 2.977 4.786     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        84 1  4 SER QB  1  7 ASN QB  5.000 . 5.000 5.345 3.551 5.684 0.684 34 13 "[*  ** *  * *  ***  2    *  - 3  *+.    4]" 1 
        85 1  4 SER HA  1  7 ASN QD  5.000 . 5.000 2.217 1.793 4.132 0.007 39  0 "[    .    1    .    2    .    3    .    4]" 1 
        86 1  4 SER QB  1  7 ASN QD  5.000 . 5.000 3.281 2.750 4.963     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        87 1  4 SER HA  1  7 ASN H   3.400 . 3.400 3.883 3.176 4.104 0.704 19 21 "[* * **** *  ***** +2 *  .  * 3** **- * 4]" 1 
        88 1  4 SER QB  1  7 ASN H   5.000 . 5.000 5.448 4.619 5.603 0.603 16 13 "[*   ***  1    .+* *2   *.    3* ***   -4]" 1 
        89 1  5 LEU QD  1  7 ASN QD  5.000 . 5.000 4.939 4.505 6.802 1.802 29  4 "[    .  * 1    .  * 2    .   +3    -    4]" 1 
        90 1  5 LEU HA  1  7 ASN H   3.400 . 3.400 4.230 3.915 4.508 1.108 12 40  [***********+*********-******************]  1 
        91 1  5 LEU QD  1  7 ASN H   5.000 . 5.000 4.664 4.347 4.959     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        92 1  5 LEU HG  1  7 ASN H   5.000 . 5.000 4.997 4.657 5.476 0.476 15  0 "[    .    1    .    2    .    3    .    4]" 1 
        93 1  6 TRP HD1 1  7 ASN QD  5.000 . 5.000 4.528 3.442 5.133 0.133 37  0 "[    .    1    .    2    .    3    .    4]" 1 
        94 1  6 TRP QB  1  7 ASN H   3.400 . 3.400 3.512 3.412 3.587 0.187 39  0 "[    .    1    .    2    .    3    .    4]" 1 
        95 1  6 TRP HD1 1  7 ASN H   5.000 . 5.000 3.490 3.268 3.889     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        96 1  6 TRP H   1  7 ASN H   2.800 . 2.800 2.269 1.998 2.639     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        97 1  7 ASN HA  1  7 ASN QB  2.800 . 2.800 2.195 2.150 2.448     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        98 1  7 ASN H   1  7 ASN HA  2.800 . 2.800 2.771 2.748 2.794     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
        99 1  7 ASN H   1  7 ASN QB  2.800 . 2.800 2.793 2.294 2.939 0.139 14  0 "[    .    1    .    2    .    3    .    4]" 1 
       100 1  7 ASN H   1  7 ASN QD  5.000 . 5.000 2.500 1.962 3.973     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       101 1  5 LEU QD  1  8 TRP QB  5.000 . 5.000 5.886 5.529 6.143 1.143 12 40  [***********+-***************************]  1 
       102 1  5 LEU HA  1  8 TRP QB  3.400 . 3.400 4.443 4.140 4.778 1.378 22 40  [**************-******+******************]  1 
       103 1  5 LEU HA  1  8 TRP HE1 5.000 . 5.000 3.780 3.369 4.383     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       104 1  6 TRP HA  1  8 TRP H   3.400 . 3.400 3.744 3.532 4.626 1.226 39  5 "[    .    1    .  **2    .    3  * .  -+4]" 1 
       105 1  7 ASN QD  1  8 TRP HA  5.000 . 5.000 4.870 3.787 5.808 0.808 19 12 "[    .-** 1    .  *+2   *.   ***   **  *4]" 1 
       106 1  7 ASN H   1  8 TRP HA  5.000 . 5.000 5.355 5.307 5.471 0.471 33  0 "[    .    1    .    2    .    3    .    4]" 1 
       107 1  7 ASN H   1  8 TRP QB  5.000 . 5.000 4.687 4.570 4.898     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       108 1  7 ASN QB  1  8 TRP HD1 5.000 . 5.000 5.163 4.295 5.515 0.515  4  4 "[ - +.    1 *  .    2    . *  3    .    4]" 1 
       109 1  7 ASN HA  1  8 TRP H   3.400 . 3.400 3.450 3.406 3.534 0.134 18  0 "[    .    1    .    2    .    3    .    4]" 1 
       110 1  7 ASN QD  1  8 TRP H   5.000 . 5.000 2.925 1.855 5.093 0.093 29  0 "[    .    1    .    2    .    3    .    4]" 1 
       111 1  7 ASN H   1  8 TRP H   3.400 . 3.400 2.740 2.678 2.935     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       112 1  8 TRP QB  1  8 TRP HE3 3.400 . 3.400 2.529 2.475 2.558     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       113 1  8 TRP H   1  8 TRP QB  3.400 . 3.400 2.470 2.146 2.664     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       114 1  8 TRP HA  1  8 TRP HZ3 5.000 . 5.000 6.073 6.023 6.154 1.154 23 40  [************-*********+*****************]  1 
       115 1  8 TRP QB  1  8 TRP HZ3 5.000 . 5.000 4.765 4.719 4.790     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       116 1  5 LEU QD  1  9 PHE QB  5.000 . 5.000 3.130 2.435 3.981     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       117 1  5 LEU H   1  9 PHE QB  5.000 . 5.000 5.456 5.114 5.981 0.981 29 15 "[ * *.  **1 *  . *  -  **. * +** * .*   4]" 1 
       118 1  5 LEU QB  1  9 PHE QD  5.000 . 5.000 3.951 3.344 4.930     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       119 1  5 LEU QD  1  9 PHE QD  3.400 . 3.400 3.218 2.281 3.610 0.210  9  0 "[    .    1    .    2    .    3    .    4]" 1 
       120 1  5 LEU HG  1  9 PHE QD  5.000 . 5.000 5.743 4.630 5.989 0.989 15 34 "[************* +******* *-** ** * ** ****]" 1 
       121 1  5 LEU QD  1  9 PHE QE  5.000 . 5.000 3.962 2.388 4.328     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       122 1  5 LEU HA  1  9 PHE H   5.000 . 5.000 4.579 4.261 4.956     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       123 1  6 TRP HE3 1  9 PHE QB  5.000 . 5.000 4.217 3.762 4.825     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       124 1  6 TRP HE3 1  9 PHE QD  3.400 . 3.400 5.907 5.362 6.040 2.640 17 40  [****************+*******************-***]  1 
       125 1  8 TRP HE1 1  9 PHE HA  5.000 . 5.000 4.557 4.359 4.832     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       126 1  8 TRP HE3 1  9 PHE QB  5.000 . 5.000 5.996 5.758 6.049 1.049 24 40  [*********************-*+****************]  1 
       127 1  8 TRP HZ2 1  9 PHE QD  3.400 . 3.400 3.966 3.330 4.325 0.925 15 27 "[** *.**  *** *+*  *2  *** * ***** **-***]" 1 
       128 1  8 TRP HA  1  9 PHE H   5.000 . 5.000 3.458 3.424 3.492     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       129 1  8 TRP QB  1  9 PHE H   3.400 . 3.400 3.506 3.421 3.592 0.192 21  0 "[    .    1    .    2    .    3    .    4]" 1 
       130 1  8 TRP HE3 1  9 PHE H   5.000 . 5.000 5.096 4.933 5.184 0.184 19  0 "[    .    1    .    2    .    3    .    4]" 1 
       131 1  8 TRP H   1  9 PHE H   3.400 . 3.400 2.030 1.822 2.567     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       132 1  9 PHE H   1  9 PHE QB  3.400 . 3.400 2.112 2.040 2.225     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       133 1  6 TRP HA  1 10 ASN H   5.000 . 5.000 3.929 3.264 4.462     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       134 1  7 ASN QB  1 10 ASN QD  5.000 . 5.000 4.756 4.084 5.413 0.413 19  0 "[    .    1    .    2    .    3    .    4]" 1 
       135 1  7 ASN QB  1 10 ASN H   5.000 . 5.000 5.426 4.741 5.571 0.571 22 19 "[* - *   ******.**  2*+* .*   3 * *. *  *]" 1 
       136 1  8 TRP H   1 10 ASN QB  5.000 . 5.000 5.272 4.646 5.979 0.979 19 14 "[ * ***   1    **- +*  **.   *3 *  .    *]" 1 
       137 1  8 TRP HA  1 10 ASN H   5.000 . 5.000 3.710 3.597 3.818     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       138 1  8 TRP QB  1 10 ASN H   5.000 . 5.000 4.854 4.766 4.955     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       139 1  8 TRP HE3 1 10 ASN H   5.000 . 5.000 5.888 5.785 6.005 1.005  6 40  [*****+**************-*******************]  1 
       140 1  8 TRP H   1 10 ASN H   5.000 . 5.000 3.726 3.430 4.134     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       141 1  9 PHE HA  1 10 ASN H   2.800 . 2.800 3.448 3.415 3.479 0.679  6 40  [*****+******************************-***]  1 
       142 1  9 PHE QB  1 10 ASN H       . . 3.400 2.961 2.821 3.056     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       143 1  9 PHE QD  1 10 ASN H   5.000 . 5.000 4.595 4.284 4.763     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       144 1  9 PHE H   1 10 ASN H   2.800 . 2.800 2.576 2.532 2.650     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       145 1 10 ASN H   1 10 ASN QB  3.400 . 3.400 2.403 2.132 2.760     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       146 1 10 ASN H   1 10 ASN QD  5.000 . 5.000 3.134 1.986 4.062     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       147 1  6 TRP HZ3 1 11 ILE QG  5.000 . 5.000 6.024 5.884 6.047 1.047  2 40  [*+*******************-******************]  1 
       148 1  7 ASN QD  1 11 ILE MD  5.000 . 5.000 5.040 4.268 5.735 0.735  7 10 "[    .*+* 1    .   *2 - *.    **   **   4]" 1 
       149 1  7 ASN QD  1 11 ILE MG  5.000 . 5.000 7.443 6.626 8.183 3.183  7 40  [*-****+*********************************]  1 
       150 1  8 TRP HA  1 11 ILE HB  5.000 . 5.000 2.875 2.417 3.180     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       151 1  8 TRP HE3 1 11 ILE HB  5.000 . 5.000 3.161 2.872 3.603     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       152 1  8 TRP HA  1 11 ILE MD  5.000 . 5.000 1.936 1.776 2.064 0.024 25  0 "[    .    1    .    2    .    3    .    4]" 1 
       153 1  8 TRP HE3 1 11 ILE MD  5.000 . 5.000 3.741 3.306 4.333     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       154 1  8 TRP HD1 1 11 ILE QG  5.000 . 5.000 6.060 6.037 6.081 1.081 30 40  [**********************-******+**********]  1 
       155 1  8 TRP HA  1 11 ILE H   5.000 . 5.000 3.077 2.862 3.662     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       156 1  8 TRP QB  1 11 ILE H   5.000 . 5.000 4.508 4.374 4.808     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       157 1  9 PHE HA  1 11 ILE H   5.000 . 5.000 3.852 3.398 4.130     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       158 1  9 PHE H   1 11 ILE H   5.000 . 5.000 3.882 3.803 4.066     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       159 1 10 ASN H   1 11 ILE HA  5.000 . 5.000 4.836 4.720 4.917     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       160 1 10 ASN QB  1 11 ILE H   3.400 . 3.400 3.604 3.116 3.967 0.567 27  1 "[    .    1    .    2    . +  3    .    4]" 1 
       161 1 10 ASN H   1 11 ILE H   3.400 . 3.400 2.258 2.085 2.597     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       162 1 11 ILE HA  1 11 ILE HB  2.800 . 2.800 3.020 3.016 3.024 0.224 18  0 "[    .    1    .    2    .    3    .    4]" 1 
       163 1 11 ILE HA  1 11 ILE MD  3.400 . 3.400 3.805 3.751 3.836 0.436 37  0 "[    .    1    .    2    .    3    .    4]" 1 
       164 1 11 ILE HB  1 11 ILE MD  3.400 . 3.400 2.467 2.411 2.554     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       165 1 11 ILE HA  1 11 ILE QG  3.400 . 3.400 2.431 2.369 2.479     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       166 1 11 ILE H   1 11 ILE HA  2.800 . 2.800 2.873 2.844 2.944 0.144 27  0 "[    .    1    .    2    .    3    .    4]" 1 
       167 1 11 ILE H   1 11 ILE HB  2.800 . 2.800 2.587 2.520 2.657     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       168 1 11 ILE H   1 11 ILE MD  5.000 . 5.000 3.722 3.628 4.068     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       169 1 11 ILE H   1 11 ILE QG  3.400 . 3.400 2.138 1.989 2.597     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       170 1 11 ILE H   1 11 ILE MG  3.400 . 3.400 3.786 3.773 3.841 0.441 27  0 "[    .    1    .    2    .    3    .    4]" 1 
       171 1  8 TRP HE1 1 12 THR MG  5.000 . 5.000 5.995 5.872 6.044 1.044 23 40  [***************-******+*****************]  1 
       172 1  8 TRP HE3 1 12 THR MG  5.000 . 5.000 3.313 2.852 3.582     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       173 1  8 TRP HZ2 1 12 THR MG  5.000 . 5.000 4.506 4.317 4.734     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       174 1  9 PHE HA  1 12 THR H   5.000 . 5.000 3.722 3.552 3.955     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       175 1 10 ASN HA  1 12 THR H   5.000 . 5.000 4.005 3.901 4.097     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       176 1 10 ASN QB  1 12 THR H   5.000 . 5.000 5.114 4.922 5.348 0.348 27  0 "[    .    1    .    2    .    3    .    4]" 1 
       177 1 10 ASN H   1 12 THR H   5.000 . 5.000 4.102 3.943 4.359     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       178 1 11 ILE H   1 12 THR HA  5.000 . 5.000 5.046 4.653 5.176 0.176 26  0 "[    .    1    .    2    .    3    .    4]" 1 
       179 1 11 ILE HB  1 12 THR MG  5.000 . 5.000 4.056 3.743 4.443     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       180 1 11 ILE H   1 12 THR MG  5.000 . 5.000 4.774 4.443 5.000     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       181 1 11 ILE HA  1 12 THR H   3.400 . 3.400 3.490 3.469 3.514 0.114 38  0 "[    .    1    .    2    .    3    .    4]" 1 
       182 1 11 ILE HB  1 12 THR H   3.400 . 3.400 2.869 2.739 2.959     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       183 1 11 ILE MD  1 12 THR H   5.000 . 5.000 4.819 4.720 4.917     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       184 1 11 ILE QG  1 12 THR H   5.000 . 5.000 3.949 3.867 4.016     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       185 1 11 ILE H   1 12 THR H   2.800 . 2.800 2.411 1.972 2.542     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       186 1 12 THR HA  1 12 THR MG  2.800 . 2.800 2.068 1.911 2.214     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       187 1 12 THR H   1 12 THR HA  2.800 . 2.800 2.831 2.807 2.851 0.051  1  0 "[    .    1    .    2    .    3    .    4]" 1 
       188 1 12 THR H   1 12 THR HB  2.800 . 2.800 3.464 3.353 3.525 0.725 34 40  [****************************-****+******]  1 
       189 1 12 THR H   1 12 THR MG  3.400 . 3.400 3.017 2.801 3.266     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       190 1  9 PHE HA  1 13 ASN QD  5.000 . 5.000 5.171 4.566 5.729 0.729 31  8 "[   -. * *1    .    2 ** .    *+   .    *]" 1 
       191 1  9 PHE HA  1 13 ASN H   5.000 . 5.000 5.998 5.866 6.042 1.042 21 40  [********************+******-************]  1 
       192 1 10 ASN QD  1 13 ASN QB  5.000 . 5.000 4.927 4.201 5.766 0.766 27  1 "[    .    1    .    2    . +  3    .    4]" 1 
       193 1 10 ASN QB  1 13 ASN QD  5.000 . 5.000 3.799 2.698 5.098 0.098 22  0 "[    .    1    .    2    .    3    .    4]" 1 
       194 1 10 ASN HA  1 13 ASN H   3.400 . 3.400 4.004 3.830 4.302 0.902 27 32 "[ ********1******* -*****. +****** ***  *]" 1 
       195 1 10 ASN QB  1 13 ASN H   5.000 . 5.000 5.144 4.889 5.491 0.491 27  0 "[    .    1    .    2    .    3    .    4]" 1 
       196 1 10 ASN QD  1 13 ASN H   5.000 . 5.000 5.200 4.711 5.617 0.617 27  3 "[  - .    1    .    2    . +  3*   .    4]" 1 
       197 1 11 ILE HA  1 13 ASN H   5.000 . 5.000 3.320 3.277 3.370     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       198 1 12 THR MG  1 13 ASN HA  5.000 . 5.000 5.342 5.168 5.448 0.448 34  0 "[    .    1    .    2    .    3    .    4]" 1 
       199 1 12 THR H   1 13 ASN HA  5.000 . 5.000 5.153 5.077 5.219 0.219 27  0 "[    .    1    .    2    .    3    .    4]" 1 
       200 1 12 THR H   1 13 ASN QB  5.000 . 5.000 4.543 4.187 5.226 0.226 27  0 "[    .    1    .    2    .    3    .    4]" 1 
       201 1 12 THR HB  1 13 ASN H   3.400 . 3.400 3.958 3.781 4.047 0.647 34 32 "[*** ***********-** * ** ** * ** *+.*****]" 1 
       202 1 12 THR MG  1 13 ASN H   5.000 . 5.000 4.430 4.380 4.456     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       203 1 12 THR H   1 13 ASN H   2.800 . 2.800 2.703 2.654 2.744     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       204 1 13 ASN H   1 13 ASN QB  2.800 . 2.800 2.315 2.156 2.995 0.195 27  0 "[    .    1    .    2    .    3    .    4]" 1 
       205 1 13 ASN H   1 13 ASN QD  5.000 . 5.000 2.743 2.129 3.574     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       206 1  8 TRP HA  1 14 TRP HE1 5.000 . 5.000 6.025 5.914 6.057 1.057 16 40  [***************+*********************-**]  1 
       207 1 10 ASN HA  1 14 TRP HE1 5.000 . 5.000 4.707 4.531 4.961     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       208 1 10 ASN QB  1 14 TRP HE1 5.000 . 5.000 3.939 3.400 4.340     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       209 1 10 ASN H   1 14 TRP HE1 5.000 . 5.000 5.292 5.156 5.505 0.505 27  1 "[    .    1    .    2    . +  3    .    4]" 1 
       210 1 11 ILE HA  1 14 TRP QB  3.400 . 3.400 4.906 4.850 4.981 1.581 25 40  [************************+***********-***]  1 
       211 1 11 ILE HA  1 14 TRP HD1 3.400 . 3.400 3.530 3.318 3.729 0.329 26  0 "[    .    1    .    2    .    3    .    4]" 1 
       212 1 11 ILE QG  1 14 TRP HD1 5.000 . 5.000 5.260 5.041 5.358 0.358 26  0 "[    .    1    .    2    .    3    .    4]" 1 
       213 1 11 ILE HA  1 14 TRP HE3 3.400 . 3.400 5.208 5.074 5.410 2.010 27 40  [*************************-+*************]  1 
       214 1 11 ILE QG  1 14 TRP HE3 5.000 . 5.000 6.022 5.941 6.073 1.073 30 40  [*****************************+*********-]  1 
       215 1 11 ILE MD  1 14 TRP HH2 5.000 . 5.000 3.367 3.093 3.596     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       216 1 11 ILE HA  1 14 TRP H   3.400 . 3.400 3.444 3.376 3.543 0.143 38  0 "[    .    1    .    2    .    3    .    4]" 1 
       217 1 11 ILE MD  1 14 TRP HZ3 5.000 . 5.000 5.123 4.869 5.318 0.318 30  0 "[    .    1    .    2    .    3    .    4]" 1 
       218 1 12 THR HA  1 14 TRP H   5.000 . 5.000 4.581 4.361 4.739     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       219 1 12 THR MG  1 14 TRP H   5.000 . 5.000 5.888 5.717 6.012 1.012  4 40  [***+*****************************-******]  1 
       220 1 13 ASN QB  1 14 TRP HD1 3.400 . 3.400 2.491 2.276 2.981     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       221 1 13 ASN QB  1 14 TRP H   3.400 . 3.400 2.550 2.404 2.785     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       222 1 14 TRP QB  1 14 TRP HD1 2.800 . 2.800 2.752 2.683 2.779     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       223 1 14 TRP HA  1 14 TRP HE3 3.400 . 3.400 4.783 4.669 4.829 1.429 11 40  [**********+**************************-**]  1 
       224 1 14 TRP QB  1 14 TRP HE3 2.800 . 2.800 2.416 2.399 2.464     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       225 1 14 TRP H   1 14 TRP HD1 2.800 . 2.800 2.230 2.123 2.381     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       226 1 14 TRP H   1 14 TRP HE3 5.000 . 5.000 4.782 4.666 4.887     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       227 1 14 TRP QB  1 14 TRP HZ3 5.000 . 5.000 4.685 4.669 4.723     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       228 1  8 TRP HZ3 1 15 LEU QD  5.000 . 5.000 3.259 2.835 3.856     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       229 1 11 ILE HA  1 15 LEU QD  5.000 . 5.000 3.728 3.628 3.857     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       230 1 11 ILE HA  1 15 LEU H   5.000 . 5.000 3.663 3.546 3.805     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       231 1 11 ILE QG  1 15 LEU H   5.000 . 5.000 5.410 5.308 5.563 0.563  1  6 "[+   .**  1    .    2    *-   3   *.    4]" 1 
       232 1 12 THR HA  1 15 LEU QB  3.400 . 3.400 3.632 3.501 3.745 0.345 23  0 "[    .    1    .    2    .    3    .    4]" 1 
       233 1 12 THR HA  1 15 LEU QD  3.400 . 3.400 2.000 1.975 2.069     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       234 1 12 THR MG  1 15 LEU QD  5.000 . 5.000 2.120 1.961 2.469     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       235 1 12 THR H   1 15 LEU QD  5.000 . 5.000 3.126 3.010 3.267     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       236 1 12 THR HA  1 15 LEU HG  5.000 . 5.000 2.343 2.235 2.402     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       237 1 12 THR HA  1 15 LEU H   3.400 . 3.400 3.970 3.779 4.072 0.672  4 34 "[-  +******** *.*********.******** ******]" 1 
       238 1 12 THR MG  1 15 LEU H   5.000 . 5.000 5.422 5.250 5.538 0.538  4  5 "[   +.    1    .-   2* * . *  3    .    4]" 1 
       239 1 14 TRP HE3 1 15 LEU HA  5.000 . 5.000 3.471 3.066 3.593     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       240 1 14 TRP HD1 1 15 LEU QB  5.000 . 5.000 5.515 5.394 5.698 0.698  1 24 "[+******  ** *** -**2    ** * *   **  ***]" 1 
       241 1 14 TRP QB  1 15 LEU QB  5.000 . 5.000 4.554 4.504 4.589     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       242 1 14 TRP HE3 1 15 LEU QB  5.000 . 5.000 3.915 3.566 4.062     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       243 1 14 TRP H   1 15 LEU QB  5.000 . 5.000 4.073 3.963 4.159     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       244 1 14 TRP HE1 1 15 LEU QD  5.000 . 5.000 5.463 5.354 5.598 0.598  1  8 "[+   . *  1    .   *2    **   -   *.  * 4]" 1 
       245 1 14 TRP H   1 15 LEU QD  5.000 . 5.000 4.452 4.365 4.598     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       246 1 14 TRP HZ2 1 15 LEU QD  5.000 . 5.000 5.326 5.139 5.436 0.436 21  0 "[    .    1    .    2    .    3    .    4]" 1 
       247 1 14 TRP HE3 1 15 LEU QD  5.000 . 5.000 5.160 4.880 5.263 0.263 32  0 "[    .    1    .    2    .    3    .    4]" 1 
       248 1 14 TRP QB  1 15 LEU H   3.400 . 3.400 3.289 3.254 3.355     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       249 1 14 TRP HD1 1 15 LEU H   5.000 . 5.000 4.065 3.956 4.222     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       250 1 14 TRP HE3 1 15 LEU H   5.000 . 5.000 3.683 3.364 3.824     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       251 1 14 TRP H   1 15 LEU H   2.800 . 2.800 2.266 2.151 2.358     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       252 1 15 LEU HA  1 15 LEU QB  2.800 . 2.800 2.147 2.144 2.149     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       253 1 15 LEU HA  1 15 LEU HG  2.800 . 2.800 3.661 3.642 3.677 0.877 35 40  [***************************-******+*****]  1 
       254 1 15 LEU H   1 15 LEU HA  2.800 . 2.800 2.796 2.779 2.815 0.015 15  0 "[    .    1    .    2    .    3    .    4]" 1 
       255 1 15 LEU H   1 15 LEU QB  2.800 . 2.800 2.128 2.112 2.159     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       256 1 15 LEU H   1 15 LEU QD  5.000 . 5.000 3.276 3.242 3.322     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       257 1 15 LEU H   1 15 LEU HG  3.400 . 3.400 3.201 3.130 3.250     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       258 1 12 THR MG  1 16 TRP HD1 5.000 . 5.000 5.876 5.454 6.035 1.035 18 39 "[*************** *+*********-************]" 1 
       259 1 12 THR MG  1 16 TRP HE1 5.000 . 5.000 5.452 4.931 5.649 0.649  8 17 "[* *** *+*1-   . *  2 ** **   3* * . ** 4]" 1 
       260 1 12 THR MG  1 16 TRP HE3 5.000 . 5.000 2.829 2.570 3.120     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       261 1 12 THR HA  1 16 TRP HH2 5.000 . 5.000 5.805 5.557 6.018 1.018  1 40  [+**************-************************]  1 
       262 1 12 THR MG  1 16 TRP HH2 5.000 . 5.000 3.537 3.296 3.783     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       263 1 13 ASN HA  1 16 TRP QB  2.800 . 2.800 3.432 3.322 3.508 0.708 24 40  [******-****************+****************]  1 
       264 1 13 ASN QB  1 16 TRP QB  5.000 . 5.000 4.938 4.852 5.017 0.017 34  0 "[    .    1    .    2    .    3    .    4]" 1 
       265 1 13 ASN HA  1 16 TRP HD1 5.000 . 5.000 6.004 5.844 6.034 1.034 37 40  [***************-********************+***]  1 
       266 1 13 ASN HA  1 16 TRP HE1 5.000 . 5.000 7.668 7.486 7.837 2.837 30 40  [******************-**********+**********]  1 
       267 1 13 ASN HA  1 16 TRP HE3 5.000 . 5.000 5.905 5.734 6.005 1.005 29 40  [******************-*********+***********]  1 
       268 1 14 TRP H   1 16 TRP HA  5.000 . 5.000 6.562 6.463 6.679 1.679 38 40  [*******************-*****************+**]  1 
       269 1 15 LEU QD  1 16 TRP HA  5.000 . 5.000 2.837 2.622 2.937     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       270 1 15 LEU QD  1 16 TRP HD1 5.000 . 5.000 5.667 5.557 5.798 0.798 24 40  [***********************+*****-**********]  1 
       271 1 15 LEU HA  1 16 TRP HE3 3.400 . 3.400 5.319 5.175 5.543 2.143  9 40  [********+******-************************]  1 
       272 1 15 LEU QB  1 16 TRP HE3 5.000 . 5.000 4.085 3.984 4.276     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       273 1 15 LEU QD  1 16 TRP HE3 5.000 . 5.000 1.978 1.918 2.164     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       274 1 15 LEU QD  1 16 TRP HH2 5.000 . 5.000 4.117 3.988 4.357     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       275 1 15 LEU QB  1 16 TRP H   3.400 . 3.400 3.364 3.292 3.408 0.008 24  0 "[    .    1    .    2    .    3    .    4]" 1 
       276 1 15 LEU QD  1 16 TRP H   5.000 . 5.000 3.142 3.069 3.214     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       277 1 15 LEU QB  1 16 TRP HZ3 5.000 . 5.000 5.177 5.018 5.484 0.484  9  0 "[    .    1    .    2    .    3    .    4]" 1 
       278 1 16 TRP HA  1 16 TRP QB  2.800 . 2.800 2.542 2.538 2.546     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       279 1 16 TRP HA  1 16 TRP HD1 3.400 . 3.400 4.132 4.037 4.203 0.803 16 40  [***************+*************-**********]  1 
       280 1 16 TRP QB  1 16 TRP HD1 2.800 . 2.800 2.494 2.490 2.502     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       281 1 16 TRP HA  1 16 TRP HE3 3.400 . 3.400 2.726 2.586 2.899     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       282 1 16 TRP QB  1 16 TRP HE3 2.800 . 2.800 2.917 2.829 2.998 0.198 16  0 "[    .    1    .    2    .    3    .    4]" 1 
       283 1 16 TRP H   1 16 TRP HA  2.800 . 2.800 2.827 2.812 2.838 0.038  1  0 "[    .    1    .    2    .    3    .    4]" 1 
       284 1 16 TRP H   1 16 TRP HD1 3.400 . 3.400 5.419 5.410 5.430 2.030 27 40  [***************-**********+*************]  1 
       285 1 16 TRP H   1 16 TRP HE3 5.000 . 5.000 3.062 2.913 3.205     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       286 1 14 TRP HA  1 17 TYR QB  5.000 . 5.000 2.355 2.231 2.439     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       287 1 14 TRP HD1 1 17 TYR QB  5.000 . 5.000 6.059 6.025 6.084 1.084 32 40  [-******************************+********]  1 
       288 1 14 TRP HE3 1 17 TYR QB  5.000 . 5.000 5.749 5.542 5.940 0.940 11 40  [**********+**************************-**]  1 
       289 1 14 TRP HA  1 17 TYR QD  5.000 . 5.000 3.299 2.796 3.713     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       290 1 14 TRP HA  1 17 TYR QE  5.000 . 5.000 5.336 4.805 5.741 0.741 24  7 "[    .    1   *.*   2   +.    3 **-*    4]" 1 
       291 1 14 TRP HA  1 17 TYR H   5.000 . 5.000 3.181 3.095 3.281     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       292 1 15 LEU H   1 17 TYR H   5.000 . 5.000 3.971 3.872 4.117     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       293 1 16 TRP HD1 1 17 TYR HA  5.000 . 5.000 5.619 5.381 5.846 0.846 34 34 "[*** ***  ************** **** 3*-*+******]" 1 
       294 1 16 TRP QB  1 17 TYR QB  5.000 . 5.000 3.944 3.900 4.003     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       295 1 16 TRP HE3 1 17 TYR QB  5.000 . 5.000 6.734 6.626 6.841 1.841  9 40  [********+************************-******]  1 
       296 1 16 TRP H   1 17 TYR QD  5.000 . 5.000 5.501 5.266 5.712 0.712 33 24 "[  * . * *1 * **** -2 ***. * *3**+*******]" 1 
       297 1 16 TRP QB  1 17 TYR QE  5.000 . 5.000 7.478 7.395 7.557 2.557 14 40  [*************+**********-***************]  1 
       298 1 16 TRP QB  1 17 TYR H   3.400 . 3.400 2.866 2.731 3.007     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       299 1 16 TRP HD1 1 17 TYR H   5.000 . 5.000 5.560 5.374 5.759 0.759 15 30 "[*** ***  *****+**-** ** .*** **  *.*****]" 1 
       300 1 16 TRP HE3 1 17 TYR H   5.000 . 5.000 5.160 5.028 5.283 0.283  9  0 "[    .    1    .    2    .    3    .    4]" 1 
       301 1 16 TRP H   1 17 TYR H   2.800 . 2.800 2.513 2.461 2.556     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       302 1 17 TYR QB  1 17 TYR QD  2.800 . 2.800 2.137 2.135 2.139     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       303 1 17 TYR HA  1 17 TYR QE  5.000 . 5.000 5.106 5.000 5.216 0.216  4  0 "[    .    1    .    2    .    3    .    4]" 1 
       304 1 17 TYR H   1 17 TYR QB  2.800 . 2.800 2.078 2.050 2.106     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       305 1 17 TYR H   1 17 TYR QD  3.400 . 3.400 3.679 3.511 3.865 0.465 33  0 "[    .    1    .    2    .    3    .    4]" 1 
       306 1 17 TYR H   1 17 TYR QE  5.000 . 5.000 5.803 5.675 5.951 0.951 33 40  [***-****************************+*******]  1 
       307 1 14 TRP QB  1 18 ILE MD  5.000 . 5.000 3.019 2.555 3.254     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       308 1 14 TRP HD1 1 18 ILE MD  5.000 . 5.000 5.932 5.705 6.018 1.018 23 40  [**********************+**************-**]  1 
       309 1 14 TRP HE3 1 18 ILE MD  5.000 . 5.000 2.029 1.885 2.210     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       310 1 14 TRP HH2 1 18 ILE MD  5.000 . 5.000 5.016 4.852 5.131 0.131 34  0 "[    .    1    .    2    .    3    .    4]" 1 
       311 1 14 TRP HZ2 1 18 ILE MD  5.000 . 5.000 5.992 5.878 6.048 1.048 25 40  [************************+**************-]  1 
       312 1 14 TRP HZ3 1 18 ILE MD  5.000 . 5.000 3.151 2.982 3.280     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       313 1 14 TRP HE3 1 18 ILE QG  5.000 . 5.000 3.705 3.506 3.940     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       314 1 14 TRP HE3 1 18 ILE MG  5.000 . 5.000 5.191 5.024 5.440 0.440 32  0 "[    .    1    .    2    .    3    .    4]" 1 
       315 1 14 TRP HA  1 18 ILE H   5.000 . 5.000 4.503 4.377 4.661     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       316 1 15 LEU QD  1 18 ILE HB  5.000 . 5.000 3.784 3.769 3.806     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       317 1 15 LEU HA  1 18 ILE MD  3.400 . 3.400 1.741 1.501 1.968 0.299  2  0 "[    .    1    .    2    .    3    .    4]" 1 
       318 1 15 LEU H   1 18 ILE MD  5.000 . 5.000 3.567 3.383 3.753     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       319 1 15 LEU HA  1 18 ILE QG  5.000 . 5.000 2.884 2.561 3.347     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       320 1 16 TRP HA  1 18 ILE H   5.000 . 5.000 4.110 3.830 4.289     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       321 1 16 TRP QB  1 18 ILE H   5.000 . 5.000 4.608 4.462 4.726     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       322 1 16 TRP H   1 18 ILE H   5.000 . 5.000 3.917 3.837 4.018     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       323 1 17 TYR QD  1 18 ILE HA  3.400 . 3.400 3.757 3.575 4.023 0.623 38  2 "[    .    1    .    2    -    3    .  + 4]" 1 
       324 1 17 TYR QE  1 18 ILE HA  5.000 . 5.000 4.142 3.961 4.510     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       325 1 17 TYR QD  1 18 ILE HB  5.000 . 5.000 4.694 4.484 4.874     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       326 1 17 TYR QD  1 18 ILE MD  5.000 . 5.000 3.508 2.858 3.783     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       327 1 17 TYR QE  1 18 ILE MD  5.000 . 5.000 4.222 3.737 4.606     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       328 1 17 TYR QD  1 18 ILE QG  5.000 . 5.000 2.236 1.934 2.457     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       329 1 17 TYR QD  1 18 ILE MG  5.000 . 5.000 4.661 4.415 4.852     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       330 1 17 TYR QE  1 18 ILE MG  5.000 . 5.000 4.693 4.435 4.945     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       331 1 17 TYR QB  1 18 ILE H   3.400 . 3.400 3.065 2.856 3.239     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       332 1 17 TYR QD  1 18 ILE H   5.000 . 5.000 3.165 2.995 3.442     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       333 1 18 ILE HA  1 18 ILE HB  2.800 . 2.800 3.023 3.018 3.025 0.225 25  0 "[    .    1    .    2    .    3    .    4]" 1 
       334 1 18 ILE HA  1 18 ILE MD  3.400 . 3.400 3.897 3.839 3.938 0.538 24 17 "[    . *- 1    . ***2***+*  **3 * *** * 4]" 1 
       335 1 18 ILE HB  1 18 ILE MD  3.400 . 3.400 2.231 2.075 2.393     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       336 1 18 ILE HA  1 18 ILE QG  3.400 . 3.400 2.479 2.380 2.550     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       337 1 18 ILE H   1 18 ILE HA  2.800 . 2.800 2.860 2.823 2.925 0.125 38  0 "[    .    1    .    2    .    3    .    4]" 1 
       338 1 18 ILE H   1 18 ILE HB  2.800 . 2.800 2.538 2.420 2.633     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       339 1 18 ILE H   1 18 ILE MD  5.000 . 5.000 3.301 3.036 3.445     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       340 1 18 ILE H   1 18 ILE QG  3.400 . 3.400 2.140 1.968 2.416     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       341 1 15 LEU QD  1 19 LYS QE  5.000 . 5.000 2.732 2.046 3.491     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       342 1 15 LEU QD  1 19 LYS QG  5.000 . 5.000 2.943 1.970 3.597     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       343 1 15 LEU QD  1 19 LYS H   5.000 . 5.000 3.600 2.996 3.907     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       344 1 16 TRP HA  1 19 LYS HB2 5.000 . 5.000 3.448 2.530 5.884 0.884 34  1 "[    .    1    .    2    .    3   +.    4]" 1 
       345 1 16 TRP HA  1 19 LYS HB3 5.000 . 5.000 4.630 3.354 5.726 0.726 15  3 "[  - . *  1    +    2    .    3    .    4]" 1 
       346 1 18 ILE MD  1 19 LYS HA  5.000 . 5.000 5.818 5.596 5.964 0.964 10 40  [*********+***************************-**]  1 
       347 1 18 ILE HA  1 19 LYS H   3.400 . 3.400 3.539 3.440 3.572 0.172  3  0 "[    .    1    .    2    .    3    .    4]" 1 
       348 1 18 ILE MD  1 19 LYS H   5.000 . 5.000 4.212 3.568 4.715     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       349 1 18 ILE QG  1 19 LYS H   5.000 . 5.000 3.957 3.742 4.184     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       350 1 19 LYS HA  1 19 LYS HB2 2.800 . 2.800 2.914 2.364 3.025 0.225 13  0 "[    .    1    .    2    .    3    .    4]" 1 
       351 1 19 LYS HA  1 19 LYS HB3 2.800 . 2.800 2.620 2.273 3.024 0.224 38  0 "[    .    1    .    2    .    3    .    4]" 1 
       352 1 19 LYS HA  1 19 LYS QD  5.000 . 5.000 3.514 2.409 4.253     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       353 1 19 LYS HA  1 19 LYS QG  3.400 . 3.400 2.390 2.015 3.375     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       354 1 19 LYS H   1 19 LYS HA  2.800 . 2.800 2.858 2.764 2.932 0.132 24  0 "[    .    1    .    2    .    3    .    4]" 1 
       355 1 19 LYS H   1 19 LYS HB2 2.800 . 2.800 2.409 2.069 3.639 0.839 30  2 "[    .    1    .    2    .    +    . -  4]" 1 
       356 1 19 LYS H   1 19 LYS QD  5.000 . 5.000 3.878 2.083 4.736     .  0  0 "[    .    1    .    2    .    3    .    4]" 1 
       357 1 19 LYS H   1 19 LYS QG  3.400 . 3.400 2.885 1.963 3.977 0.577 24  3 "[    .    1    .    2   +.    3   -.  * 4]" 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              70
    _Distance_constraint_stats_list.Viol_count                    0
    _Distance_constraint_stats_list.Viol_total                    0.000
    _Distance_constraint_stats_list.Viol_max                      0.000
    _Distance_constraint_stats_list.Viol_rms                      0.0000
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0000
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0000
    _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 LYS 0.000 0.000 . 0 "[    .    1    .    2    .    3    .    4]" 
       1  2 TRP 0.000 0.000 . 0 "[    .    1    .    2    .    3    .    4]" 
       1  3 ALA 0.000 0.000 . 0 "[    .    1    .    2    .    3    .    4]" 
       1  4 SER 0.000 0.000 . 0 "[    .    1    .    2    .    3    .    4]" 
       1  5 LEU 0.000 0.000 . 0 "[    .    1    .    2    .    3    .    4]" 
       1  6 TRP 0.000 0.000 . 0 "[    .    1    .    2    .    3    .    4]" 
       1  7 ASN 0.000 0.000 . 0 "[    .    1    .    2    .    3    .    4]" 
       1  8 TRP 0.000 0.000 . 0 "[    .    1    .    2    .    3    .    4]" 
       1  9 PHE 0.000 0.000 . 0 "[    .    1    .    2    .    3    .    4]" 
       1 10 ASN 0.000 0.000 . 0 "[    .    1    .    2    .    3    .    4]" 
       1 11 ILE 0.000 0.000 . 0 "[    .    1    .    2    .    3    .    4]" 
       1 12 THR 0.000 0.000 . 0 "[    .    1    .    2    .    3    .    4]" 
       1 13 ASN 0.000 0.000 . 0 "[    .    1    .    2    .    3    .    4]" 
       1 14 TRP 0.000 0.000 . 0 "[    .    1    .    2    .    3    .    4]" 
       1 15 LEU 0.000 0.000 . 0 "[    .    1    .    2    .    3    .    4]" 
       1 16 TRP 0.000 0.000 . 0 "[    .    1    .    2    .    3    .    4]" 
       1 17 TYR 0.000 0.000 . 0 "[    .    1    .    2    .    3    .    4]" 
       1 18 ILE 0.000 0.000 . 0 "[    .    1    .    2    .    3    .    4]" 
       1 19 LYS 0.000 0.000 . 0 "[    .    1    .    2    .    3    .    4]" 
    stop_

    loop_
       _Distance_constraint_stats.Restraint_ID
       _Distance_constraint_stats.Atom_1_entity_assembly_ID
       _Distance_constraint_stats.Atom_1_comp_index_ID
       _Distance_constraint_stats.Atom_1_comp_ID
       _Distance_constraint_stats.Atom_1_ID
       _Distance_constraint_stats.Atom_2_entity_assembly_ID
       _Distance_constraint_stats.Atom_2_comp_index_ID
       _Distance_constraint_stats.Atom_2_comp_ID
       _Distance_constraint_stats.Atom_2_ID
       _Distance_constraint_stats.Node_1_distance_val
       _Distance_constraint_stats.Node_1_distance_lower_bound_val
       _Distance_constraint_stats.Node_1_distance_upper_bound_val
       _Distance_constraint_stats.Distance_average
       _Distance_constraint_stats.Distance_minimum
       _Distance_constraint_stats.Distance_maximum
       _Distance_constraint_stats.Max_violation
       _Distance_constraint_stats.Max_violation_model_number
       _Distance_constraint_stats.Over_cutoff_violation_count
       _Distance_constraint_stats.Over_cutoff_viol_per_model
       _Distance_constraint_stats.Distance_constraint_stats_ID

        1 1  2 TRP HH2 1  3 ALA MB  6.000 . 6.000 5.552 5.009 5.937 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
        2 1  1 LYS HA  1  4 SER H   6.000 . 6.000 3.998 3.806 4.218 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
        3 1  1 LYS HA  1  2 TRP QB  6.000 . 6.000 4.301 4.155 4.557 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
        4 1  1 LYS HA  1  2 TRP HD1 6.000 . 6.000 3.903 2.934 4.583 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
        5 1  2 TRP QB  1  5 LEU QD  6.000 . 6.000 2.180 1.932 2.707 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
        6 1  2 TRP QB  1  5 LEU HG  6.000 . 6.000 3.334 3.078 3.768 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
        7 1  4 SER H   1  5 LEU QD  6.000 . 6.000 3.305 3.056 3.525 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
        8 1  2 TRP HB2 1  3 ALA HA  6.000 . 6.000 3.907 3.542 4.476 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
        9 1  2 TRP HB2 1  4 SER H   6.000 . 6.000 4.219 3.986 4.514 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       10 1  5 LEU QD  1  6 TRP HZ3 6.000 . 6.000 5.352 5.078 5.663 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       11 1  5 LEU QD  1  8 TRP QB  6.000 . 6.000 2.604 2.343 2.811 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       12 1  5 LEU HA  1  8 TRP HD1 6.000 . 6.000 2.427 2.046 2.776 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       13 1  4 SER H   1  6 TRP H   6.000 . 6.000 3.685 3.470 3.915 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       14 1  4 SER H   1  7 ASN QB  6.000 . 6.000 3.157 2.123 3.535 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       15 1  8 TRP H   1  8 TRP HD1 6.000 . 6.000 2.911 2.718 3.031 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       16 1  2 TRP HD1 1  4 SER H   6.000 . 6.000 5.206 5.115 5.264 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       17 1  6 TRP HE3 1  9 PHE QB  6.000 . 6.000 3.985 3.623 4.601 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       18 1  6 TRP HA  1  9 PHE QB  6.000 . 6.000 1.931 1.829 2.143 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       19 1  6 TRP HA  1  9 PHE H   6.000 . 6.000 2.792 2.650 3.148 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       20 1  8 TRP HD1 1  9 PHE H   6.000 . 6.000 3.125 2.963 3.351 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       21 1  6 TRP HE3 1 10 ASN H   6.000 . 6.000 3.696 3.435 4.002 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       22 1 10 ASN QB  1 13 ASN QB  6.000 . 6.000 4.358 3.907 5.476 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       23 1  5 LEU QD  1  6 TRP HD1 6.000 . 6.000 4.417 3.776 4.913 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       24 1  6 TRP HZ3 1 11 ILE MG  6.000 . 6.000 3.221 2.816 3.798 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       25 1  7 ASN HA  1 11 ILE HB  6.000 . 6.000 4.808 4.759 4.844 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       26 1  7 ASN HA  1 11 ILE MG  6.000 . 6.000 5.222 5.174 5.284 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       27 1  7 ASN HA  1 11 ILE H   6.000 . 6.000 3.317 3.068 3.363 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       28 1  8 TRP HA  1 11 ILE MG  6.000 . 6.000 3.781 3.558 3.952 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       29 1  8 TRP HE3 1 11 ILE MG  6.000 . 6.000 2.683 2.544 2.845 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       30 1  8 TRP HH2 1 11 ILE MG  6.000 . 6.000 2.339 2.200 2.579 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       31 1  8 TRP HD1 1 11 ILE H   6.000 . 6.000 4.982 4.711 5.113 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       32 1  8 TRP HA  1 12 THR H   6.000 . 6.000 3.585 3.457 3.709 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       33 1  4 SER HB3 1  5 LEU QD  6.000 . 6.000 5.137 4.542 5.334 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       34 1 11 ILE MG  1 12 THR HA  6.000 . 6.000 1.993 1.968 2.060 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       35 1 11 ILE MG  1 12 THR HB  6.000 . 6.000 3.787 3.640 3.864 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       36 1  5 LEU QD  1 12 THR MG  6.000 . 6.000 5.224 4.984 5.552 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       37 1 11 ILE MG  1 12 THR MG  6.000 . 6.000 2.114 1.957 2.454 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       38 1 11 ILE MG  1 12 THR H   6.000 . 6.000 2.981 2.900 3.068 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       39 1 11 ILE MG  1 13 ASN H   6.000 . 6.000 3.616 3.545 3.687 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       40 1 12 THR HA  1 13 ASN H   6.000 . 6.000 2.946 2.844 3.027 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       41 1  9 PHE HD2 1 10 ASN QB  6.000 . 6.000 4.572 3.967 5.203 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       42 1 11 ILE MG  1 14 TRP QB  6.000 . 6.000 3.528 3.456 3.591 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       43 1  2 TRP HZ2 1  5 LEU QD  6.000 . 6.000 5.116 4.821 5.250 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       44 1 11 ILE MG  1 14 TRP HH2 6.000 . 6.000 2.825 2.624 2.993 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       45 1 11 ILE MG  1 14 TRP H   6.000 . 6.000 3.792 3.622 3.998 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       46 1 14 TRP QB  1 15 LEU QD  6.000 . 6.000 3.637 3.522 3.703 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       47 1 14 TRP HZ3 1 15 LEU QD  6.000 . 6.000 4.870 4.584 5.017 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       48 1 11 ILE MG  1 14 TRP HE1 6.000 . 6.000 3.737 3.550 3.912 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       49 1 11 ILE MG  1 14 TRP HZ3 6.000 . 6.000 3.603 3.504 3.680 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       50 1 13 ASN HA  1 15 LEU H   6.000 . 6.000 3.463 3.439 3.481 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       51 1 13 ASN H   1 14 TRP H   6.000 . 6.000 2.352 2.282 2.456 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       52 1 13 ASN H   1 15 LEU HG  6.000 . 6.000 2.156 2.020 2.269 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       53 1 13 ASN H   1 15 LEU H   6.000 . 6.000 2.589 2.523 2.637 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       54 1 11 ILE MG  1 17 TYR QD  6.000 . 6.000 5.752 5.638 5.810 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       55 1  6 TRP HA  1  9 PHE QB  6.000 . 6.000 1.849 1.775 1.993 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       56 1 14 TRP QB  1 17 TYR QD  6.000 . 6.000 3.196 2.919 3.432 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       57 1 16 TRP HA  1 17 TYR H   6.000 . 6.000 3.144 2.906 3.323 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       58 1 15 LEU HA  1 18 ILE HB  6.000 . 6.000 2.702 2.448 2.843 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       59 1 11 ILE MG  1 18 ILE H   6.000 . 6.000 4.257 4.047 4.361 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       60 1 15 LEU QD  1 17 TYR QB  6.000 . 6.000 4.983 4.907 5.052 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       61 1  9 PHE QB  1 15 LEU QD  6.000 . 6.000 4.855 4.790 4.928 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       62 1 15 LEU HA  1 18 ILE H   6.000 . 6.000 2.894 2.785 2.966 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       63 1 17 TYR H   1 18 ILE H   6.000 . 6.000 2.208 2.098 2.300 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       64 1 12 THR HB  1 15 LEU QD  6.000 . 6.000 3.259 2.979 3.466 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       65 1 15 LEU QD  1 19 LYS QE  6.000 . 6.000 2.708 2.044 3.479 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       66 1 15 LEU QD  1 19 LYS QG  6.000 . 6.000 2.769 1.938 3.506 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       67 1 17 TYR H   1 18 ILE HB  6.000 . 6.000 2.438 1.836 3.030 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       68 1 17 TYR H   1 18 ILE QG  6.000 . 6.000 3.452 3.271 3.699 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       69 1 15 LEU QD  1 19 LYS H   6.000 . 6.000 3.080 2.545 3.507 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
       70 1 10 ASN QB  1 12 THR HB  6.000 . 6.000 4.542 2.816 5.356 . 0 0 "[    .    1    .    2    .    3    .    4]" 2 
    stop_

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