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
605104 2n3l 25650 cing 4-filtered-FRED Wattos check violation distance


data_2n3l


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              701
    _Distance_constraint_stats_list.Viol_count                    2938
    _Distance_constraint_stats_list.Viol_total                    32491.229
    _Distance_constraint_stats_list.Viol_max                      3.045
    _Distance_constraint_stats_list.Viol_rms                      0.3300
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.1159
    _Distance_constraint_stats_list.Viol_average_violations_only  0.5529
    _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  5 VAL   0.414 0.414 12  0 "[    .    1    .    2]" 
       1  6 ILE   0.000 0.000  .  0 "[    .    1    .    2]" 
       1  7 ARG   1.157 0.414 12  0 "[    .    1    .    2]" 
       1  8 GLU   2.179 0.358  4  0 "[    .    1    .    2]" 
       1  9 SER  10.987 0.943 18  4 "[    .*-  1    .  +*2]" 
       1 10 VAL  11.655 0.722 18  3 "[*   .   *1    .  + 2]" 
       1 11 SER  14.053 0.943 18  4 "[    .**  1    .  +*2]" 
       1 12 ARG   9.488 0.687  1  2 "[+   .   -1    .    2]" 
       1 13 ILE  26.486 1.724  1 15 "[+* ** ******* **-  *]" 
       1 14 TYR   9.470 0.529  5  2 "[-   +    1    .    2]" 
       1 15 VAL   1.000 0.235  8  0 "[    .    1    .    2]" 
       1 16 GLY   8.585 0.529  5  2 "[-   +    1    .    2]" 
       1 17 ASN   5.204 0.505  4  1 "[   +.    1    .    2]" 
       1 18 LEU  11.986 0.800  3 12 "[**+ *******  -.*   2]" 
       1 19 PRO   6.428 0.902 20  5 "[   -.   **   *.    +]" 
       1 20 SER   5.377 0.902 20  4 "[   -.   *1   *.    +]" 
       1 21 HIS   1.573 0.516 19  2 "[    .  - 1    .   +2]" 
       1 22 VAL  15.313 1.082 14 11 "[- **.  ***  *+*   **]" 
       1 23 SER  30.385 1.687 12 20  [**-********+********]  
       1 24 SER  19.177 0.901 13 16 "[*********-**+*.   **]" 
       1 25 ARG  55.733 1.687 12 20  [*********-*+********]  
       1 26 ASP  17.135 0.730  3 13 "[**+*******-   .*   *]" 
       1 27 VAL  38.944 1.154 12 20  [***-*******+********]  
       1 28 GLU  30.050 1.055 16 16 "[* ***-***** ***+ * *]" 
       1 29 ASN  16.474 0.729  9  8 "[*   ** *+1    .-  **]" 
       1 30 GLU  26.769 1.651  6 20  [*****+******-*******]  
       1 31 PHE  57.227 1.724  1 19 "[+**-************** *]" 
       1 32 ARG  38.947 1.651  6 20  [*****+************-*]  
       1 33 LYS 187.791 3.045 16 20  [*****-*********+****]  
       1 34 TYR  39.584 1.283 13 16 "[ **-.****** +*** ***]" 
       1 35 GLY  13.333 1.523 12  5 "[ *  .   -1 +  . *  *]" 
       1 36 ASN   4.262 0.857 11  2 "[    .    1+ - .    2]" 
       1 37 ILE  87.247 2.465 16 20  [*****-*********+****]  
       1 38 LEU  36.540 2.664  9 20  [******-*+***********]  
       1 39 LYS  33.860 1.071 12 20  [***********+*****-**]  
       1 40 CYS  22.072 1.331 15 17 "[** ******* * *+**-**]" 
       1 41 ASP  12.394 0.850 14  7 "[  **.   *1- *+.*   2]" 
       1 42 VAL  45.689 1.695  4 20  [***+***-************]  
       1 43 LYS 103.105 2.142 17 20  [*****-**********+***]  
       1 44 LYS 103.847 2.142 17 20  [***************-+***]  
       1 45 THR  57.351 1.677 19 20  [***************-**+*]  
       1 46 VAL  14.524 1.250 19 10 "[    .* * 1  **-***+*]" 
       1 47 SER   0.321 0.142  5  0 "[    .    1    .    2]" 
       1 48 GLY   1.114 0.446  6  0 "[    .    1    .    2]" 
       1 49 ALA  15.184 0.800  3 12 "[**+-*******   .*   2]" 
       1 50 ALA  23.715 0.905 14 16 "[*****-*  ****+**** 2]" 
       1 51 PHE  97.704 1.260  1 20  [+*********-*********]  
       1 52 ALA  46.777 1.695  4 20  [***+********-*******]  
       1 53 PHE  29.688 1.331 15 16 "[**  *****- * *+*****]" 
       1 54 ILE 128.664 2.685 17 20  [************-***+***]  
       1 55 GLU  13.613 0.723 15  5 "[ *  *  - 1*   +    2]" 
       1 56 PHE  56.979 2.734  6 20  [*****+*********-****]  
       1 57 GLU   3.639 0.593 13  2 "[    . -  1  + .    2]" 
       1 58 ASP  36.187 2.664  9 20  [***-****+***********]  
       1 59 ALA  19.297 0.752 12  8 "[ *  . -****+  .  * 2]" 
       1 60 ARG  22.655 1.050 18 20  [******-**********+**]  
       1 61 ASP   2.998 0.387  3  0 "[    .    1    .    2]" 
       1 62 ALA 124.826 3.045 16 20  [***-***********+****]  
       1 63 ALA  21.951 0.943 14 18 "[****** ******+*** -*]" 
       1 64 ASP  30.702 2.343 13 20  [*****-******+*******]  
       1 65 ALA 112.137 2.734  6 20  [*****+****-*********]  
       1 66 ILE 119.204 1.954  8 20  [*****-*+************]  
       1 67 LYS  81.415 1.641 10 20  [******-**+**********]  
       1 68 GLU  47.232 1.560 14 20  [*********-***+******]  
       1 69 LYS  60.219 1.520 17 20  [*********-******+***]  
       1 70 ASP  73.594 2.150 14 20  [*************+******]  
       1 71 GLY  10.382 1.154 20  9 "[    .    1 *-******+]" 
       1 72 CYS 161.372 2.806 13 20  [*****-******+*******]  
       1 73 ASP   4.811 0.559 20  1 "[    .    1    .    +]" 
       1 74 PHE  63.063 1.594 20 20  [*****************-*+]  
       1 75 GLU  10.894 0.979 14  8 "[****. *  1   +.* - 2]" 
       1 76 GLY  30.655 1.222 16 19 "[****-***** ****+****]" 
       1 77 ASN  13.126 0.846  6  8 "[****.+** 1    .   -2]" 
       1 78 LYS  33.716 1.594 20 20  [****-**************+]  
       1 79 LEU  61.301 2.806 13 20  [******-*****+*******]  
       1 80 ARG  55.513 2.369 20 20  [*********-*********+]  
       1 81 VAL  73.217 2.150 14 17 "[ * **-**** **+******]" 
       1 82 GLU  83.711 2.767 18 20  [*****-***********+**]  
       1 83 VAL   2.199 0.547 16  1 "[    .    1    .+   2]" 
       1 84 PRO   2.052 0.254 19  0 "[    .    1    .    2]" 
       1 85 PHE  85.373 2.685 17 20  [************-***+***]  
       1 86 ASN  18.336 1.008 18 12 "[    *-*  1 ******+**]" 
       1 87 ALA  11.568 0.713  1  6 "[+   **   -    **   2]" 
       1 88 ARG  20.163 0.752 12 11 "[** *. ***-*+  .* * 2]" 
       1 89 GLU   7.086 0.713  1  3 "[+  -.*   1    .    2]" 
    stop_

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

         1 1 59 ALA H   1 61 ASP H   . . 5.500 4.694 4.108 5.407     .  0  0 "[    .    1    .    2]" 1 
         2 1 43 LYS H   1 51 PHE H   . . 4.210 3.747 3.492 3.937     .  0  0 "[    .    1    .    2]" 1 
         3 1 43 LYS H   1 44 LYS H   . . 5.000 4.596 4.470 4.698     .  0  0 "[    .    1    .    2]" 1 
         4 1 43 LYS H   1 50 ALA MB  . . 5.000 5.352 5.023 5.557 0.557 10  6 "[  * .-*  +*   . *  2]" 1 
         5 1 59 ALA H   1 88 ARG QG  . . 3.760 3.731 2.697 4.512 0.752 12  3 "[    . * -1 +  .    2]" 1 
         6 1 41 ASP H   1 53 PHE H   . . 4.130 3.498 3.280 3.673     .  0  0 "[    .    1    .    2]" 1 
         7 1 40 CYS H   1 41 ASP H   . . 4.230 4.093 3.842 4.347 0.117 18  0 "[    .    1    .    2]" 1 
         8 1 41 ASP H   1 42 VAL HA  . . 5.500 4.923 4.708 5.316     .  0  0 "[    .    1    .    2]" 1 
         9 1 40 CYS QB  1 41 ASP H   . . 4.610 3.518 3.180 3.803     .  0  0 "[    .    1    .    2]" 1 
        10 1 74 PHE H   1 76 GLY H   . . 4.740 5.589 5.065 5.962 1.222 16 18 "[*****-***1 ****+****]" 1 
        11 1 73 ASP H   1 74 PHE H   . . 4.980 4.418 4.284 4.526     .  0  0 "[    .    1    .    2]" 1 
        12 1 74 PHE H   1 77 ASN QB  . . 4.720 3.900 3.407 4.291     .  0  0 "[    .    1    .    2]" 1 
        13 1 74 PHE H   1 78 LYS QE  . . 5.000 5.770 5.532 6.594 1.594 20 20  [*-*****************+]  1 
        14 1 72 CYS QB  1 74 PHE H   . . 5.000 6.004 4.897 6.585 1.585  9 18 "[**-*****+1 *********]" 1 
        15 1 74 PHE H   1 75 GLU H   . . 4.640 4.258 4.130 4.377     .  0  0 "[    .    1    .    2]" 1 
        16 1 79 LEU H   1 79 LEU QB  . . 3.830 2.885 2.772 2.999     .  0  0 "[    .    1    .    2]" 1 
        17 1 78 LYS QG  1 79 LEU H   . . 4.650 4.164 3.870 4.871 0.221 20  0 "[    .    1    .    2]" 1 
        18 1 79 LEU H   1 79 LEU HG  . . 4.000 4.471 4.295 4.714 0.714 17  7 "[ *  .*-  1 *  * +* 2]" 1 
        19 1 78 LYS H   1 79 LEU H   . . 5.200 4.350 4.249 4.515     .  0  0 "[    .    1    .    2]" 1 
        20 1 79 LEU H   1 80 ARG HA  . . 5.500 4.251 3.955 4.511     .  0  0 "[    .    1    .    2]" 1 
        21 1 71 GLY H   1 81 VAL H   . . 4.860 5.375 4.777 6.014 1.154 20  9 "[    .    1 *-******+]" 1 
        22 1 70 ASP HA  1 81 VAL H   . . 4.870 4.854 4.347 5.579 0.709 14  2 "[    .    1   +.  - 2]" 1 
        23 1 81 VAL H   1 82 GLU QB  . . 5.500 4.207 3.794 4.418     .  0  0 "[    .    1    .    2]" 1 
        24 1 80 ARG QD  1 81 VAL H   . . 5.500 3.073 2.462 3.787     .  0  0 "[    .    1    .    2]" 1 
        25 1 70 ASP QB  1 81 VAL H   . . 5.000 5.964 5.237 7.150 2.150 14 12 "[   **    - **+******]" 1 
        26 1 38 LEU H   1 56 PHE HA  . . 5.070 2.699 1.833 3.735     .  0  0 "[    .    1    .    2]" 1 
        27 1 38 LEU H   1 55 GLU H   . . 5.030 4.620 4.273 4.967     .  0  0 "[    .    1    .    2]" 1 
        28 1 38 LEU H   1 58 ASP H   . . 5.000 6.677 5.820 7.664 2.664  9 20  [***-****+***********]  1 
        29 1 38 LEU H   1 39 LYS H   . . 3.590 2.182 1.890 2.791     .  0  0 "[    .    1    .    2]" 1 
        30 1 38 LEU H   1 38 LEU QB  . . 3.820 2.613 2.210 3.100     .  0  0 "[    .    1    .    2]" 1 
        31 1 38 LEU H   1 38 LEU QD  . . 5.150 2.750 1.920 3.235     .  0  0 "[    .    1    .    2]" 1 
        32 1 37 ILE H   1 38 LEU QD  . . 5.500 4.651 4.185 5.708 0.208  4  0 "[    .    1    .    2]" 1 
        33 1 35 GLY QA  1 37 ILE H   . . 4.750 5.005 4.618 5.463 0.713 20  4 "[    .   -1 *  . *  +]" 1 
        34 1 28 GLU HA  1 37 ILE H   . . 5.440 5.975 5.345 6.495 1.055 16 13 "[*  **-*  ** ***+ * *]" 1 
        35 1 33 LYS HA  1 37 ILE H   . . 5.000 6.786 5.988 7.465 2.465 16 20  [***-***********+****]  1 
        36 1 37 ILE H   1 38 LEU H   . . 5.370 4.593 4.415 4.764     .  0  0 "[    .    1    .    2]" 1 
        37 1  6 ILE HB  1  7 ARG H   . . 4.860 3.873 2.023 4.595     .  0  0 "[    .    1    .    2]" 1 
        38 1  6 ILE MG  1  7 ARG H   . . 4.700 3.717 2.351 4.488     .  0  0 "[    .    1    .    2]" 1 
        39 1  5 VAL QG  1  7 ARG H   . . 5.000 4.336 2.929 5.414 0.414 12  0 "[    .    1    .    2]" 1 
        40 1 15 VAL H   1 15 VAL QG  . . 4.090 2.432 2.180 2.997     .  0  0 "[    .    1    .    2]" 1 
        41 1  7 ARG H   1  8 GLU QB  . . 5.110 4.649 3.576 5.404 0.294  3  0 "[    .    1    .    2]" 1 
        42 1 56 PHE H   1 57 GLU H   . . 5.500 4.590 4.490 4.664     .  0  0 "[    .    1    .    2]" 1 
        43 1 39 LYS QE  1 40 CYS H   . . 4.660 4.820 4.147 5.465 0.805  4  2 "[   +.    1    .  - 2]" 1 
        44 1 39 LYS H   1 40 CYS H   . . 5.050 4.291 4.168 4.439     .  0  0 "[    .    1    .    2]" 1 
        45 1 39 LYS QG  1 40 CYS H   . . 5.500 3.275 2.604 4.500     .  0  0 "[    .    1    .    2]" 1 
        46 1 14 TYR H   1 15 VAL H   . . 5.390 4.407 4.203 4.587     .  0  0 "[    .    1    .    2]" 1 
        47 1 49 ALA H   1 50 ALA H   . . 5.040 4.575 4.503 4.635     .  0  0 "[    .    1    .    2]" 1 
        48 1 45 THR H   1 49 ALA H   . . 4.450 4.311 3.847 4.890 0.440  3  0 "[    .    1    .    2]" 1 
        49 1 48 GLY H   1 49 ALA H   . . 3.590 2.673 2.366 2.959     .  0  0 "[    .    1    .    2]" 1 
        50 1 13 ILE HB  1 14 TYR H   . . 4.590 4.088 3.888 4.276     .  0  0 "[    .    1    .    2]" 1 
        51 1 12 ARG H   1 13 ILE H   . . 5.500 4.538 4.400 4.653     .  0  0 "[    .    1    .    2]" 1 
        52 1 12 ARG H   1 13 ILE QG  . . 5.500 4.759 4.507 5.092     .  0  0 "[    .    1    .    2]" 1 
        53 1 10 VAL QG  1 12 ARG H   . . 5.500 4.853 4.162 5.305     .  0  0 "[    .    1    .    2]" 1 
        54 1 53 PHE QB  1 54 ILE H   . . 4.600 3.819 3.501 4.018     .  0  0 "[    .    1    .    2]" 1 
        55 1 73 ASP H   1 74 PHE QD  . . 5.500 5.152 4.443 5.980 0.480  6  0 "[    .    1    .    2]" 1 
        56 1 79 LEU HG  1 80 ARG H   . . 4.770 4.710 4.204 5.055 0.285  8  0 "[    .    1    .    2]" 1 
        57 1 78 LYS QG  1 80 ARG H   . . 5.000 5.475 5.019 6.184 1.184 20 10 "[    .   *-******  *+]" 1 
        58 1 79 LEU MD2 1 80 ARG H   . . 4.860 4.658 3.941 5.545 0.685 18  4 "[ -  . *  1 *  .  + 2]" 1 
        59 1 79 LEU H   1 80 ARG H   . . 5.280 3.262 3.004 3.920     .  0  0 "[    .    1    .    2]" 1 
        60 1 79 LEU HA  1 80 ARG H   . . 3.510 2.636 2.383 2.795     .  0  0 "[    .    1    .    2]" 1 
        61 1 72 CYS QB  1 73 ASP H   . . 4.260 3.288 2.830 3.679     .  0  0 "[    .    1    .    2]" 1 
        62 1 64 ASP H   1 65 ALA H   . . 3.540 2.941 2.608 3.351     .  0  0 "[    .    1    .    2]" 1 
        63 1 65 ALA H   1 66 ILE H   . . 5.000 2.750 2.476 3.016     .  0  0 "[    .    1    .    2]" 1 
        64 1 34 TYR QD  1 65 ALA H   . . 5.460 3.649 2.652 5.245     .  0  0 "[    .    1    .    2]" 1 
        65 1 33 LYS QE  1 65 ALA H   . . 4.430 5.076 3.858 6.050 1.620 13 14 "[* *** ** -* +*** **2]" 1 
        66 1 65 ALA H   1 66 ILE HA  . . 5.500 5.253 5.079 5.460     .  0  0 "[    .    1    .    2]" 1 
        67 1 34 TYR QE  1 65 ALA H   . . 5.500 4.308 3.164 5.599 0.099 20  0 "[    .    1    .    2]" 1 
        68 1 62 ALA H   1 65 ALA H   . . 5.000 5.682 5.291 5.940 0.940  1 17 "[+**-********* .*** *]" 1 
        69 1 81 VAL HB  1 82 GLU H   . . 5.300 4.277 3.505 4.625     .  0  0 "[    .    1    .    2]" 1 
        70 1 82 GLU H   1 82 GLU HG3 . . 5.000 4.310 2.474 4.855     .  0  0 "[    .    1    .    2]" 1 
        71 1 66 ILE MD  1 82 GLU H   . . 5.500 3.627 2.877 4.794     .  0  0 "[    .    1    .    2]" 1 
        72 1 81 VAL QG  1 82 GLU H   . . 4.680 2.968 2.703 3.598     .  0  0 "[    .    1    .    2]" 1 
        73 1 66 ILE MG  1 82 GLU H   . . 5.000 6.125 5.493 6.954 1.954  8 19 "[-******+ ***********]" 1 
        74 1 31 PHE H   1 32 ARG H   . . 3.560 2.642 2.455 2.866     .  0  0 "[    .    1    .    2]" 1 
        75 1 30 GLU H   1 32 ARG H   . . 5.330 4.257 3.822 4.734     .  0  0 "[    .    1    .    2]" 1 
        76 1 32 ARG H   1 34 TYR H   . . 5.000 4.315 3.984 4.661     .  0  0 "[    .    1    .    2]" 1 
        77 1 32 ARG H   1 35 GLY H   . . 5.500 5.165 4.693 6.132 0.632  9  1 "[    .   +1    .    2]" 1 
        78 1 32 ARG H   1 34 TYR QD  . . 5.000 5.273 4.824 5.723 0.723  3  4 "[  + .   *-*   .    2]" 1 
        79 1 32 ARG H   1 32 ARG HB3 . . 3.830 2.760 2.368 3.943 0.113  6  0 "[    .    1    .    2]" 1 
        80 1 32 ARG H   1 33 LYS QG  . . 5.500 5.578 4.546 6.451 0.951  1  7 "[+*  *- ***    .    2]" 1 
        81 1 27 VAL H   1 28 GLU H   . . 3.570 2.758 2.408 3.054     .  0  0 "[    .    1    .    2]" 1 
        82 1 28 GLU H   1 30 GLU H   . . 5.220 4.883 4.354 5.494 0.274  1  0 "[    .    1    .    2]" 1 
        83 1 28 GLU H   1 28 GLU QG  . . 3.890 3.809 3.069 4.206 0.316  8  0 "[    .    1    .    2]" 1 
        84 1 25 ARG HA  1 28 GLU H   . . 5.500 3.563 3.289 4.043     .  0  0 "[    .    1    .    2]" 1 
        85 1 78 LYS H   1 78 LYS QE  . . 5.110 3.850 2.328 4.798     .  0  0 "[    .    1    .    2]" 1 
        86 1 77 ASN QB  1 78 LYS H   . . 4.610 3.438 3.215 3.877     .  0  0 "[    .    1    .    2]" 1 
        87 1 78 LYS H   1 78 LYS HB2 . . 3.640 2.580 2.209 3.831 0.191 11  0 "[    .    1    .    2]" 1 
        88 1 78 LYS H   1 78 LYS QD  . . 4.000 3.195 2.041 4.491 0.491  6  0 "[    .    1    .    2]" 1 
        89 1 85 PHE H   1 86 ASN HA  . . 3.820 4.329 4.003 4.828 1.008 18 11 "[    .-*  1 ******+**]" 1 
        90 1 23 SER HA  1 25 ARG H   . . 4.170 4.757 4.331 5.087 0.917 14 13 "[***********  +-    2]" 1 
        91 1 23 SER HB3 1 25 ARG H   . . 4.230 3.947 3.036 4.774 0.544  2  2 "[ +  -    1    .    2]" 1 
        92 1 25 ARG QG  1 28 GLU H   . . 5.500 5.342 4.968 6.083 0.583  9  1 "[    .   +1    .    2]" 1 
        93 1 74 PHE H   1 77 ASN H   . . 4.050 4.104 3.391 4.510 0.460 15  0 "[    .    1    .    2]" 1 
        94 1 77 ASN H   1 77 ASN QB  . . 3.820 2.680 2.447 3.054     .  0  0 "[    .    1    .    2]" 1 
        95 1 77 ASN H   1 78 LYS QE  . . 4.320 4.048 3.310 4.707 0.387  3  0 "[    .    1    .    2]" 1 
        96 1 82 GLU H   1 83 VAL H   . . 4.820 4.276 4.190 4.382     .  0  0 "[    .    1    .    2]" 1 
        97 1 82 GLU QB  1 83 VAL H   . . 4.050 3.470 2.412 3.981     .  0  0 "[    .    1    .    2]" 1 
        98 1 82 GLU HG2 1 83 VAL H   . . 4.840 3.814 2.427 5.387 0.547 16  1 "[    .    1    .+   2]" 1 
        99 1 66 ILE MG  1 83 VAL H   . . 4.370 3.918 3.585 4.251     .  0  0 "[    .    1    .    2]" 1 
       100 1 82 GLU HG3 1 83 VAL H   . . 4.240 3.650 2.973 4.761 0.521 16  1 "[    .    1    .+   2]" 1 
       101 1 61 ASP H   1 63 ALA MB  . . 5.220 4.692 4.204 5.136     .  0  0 "[    .    1    .    2]" 1 
       102 1 60 ARG H   1 61 ASP H   . . 3.640 2.694 2.492 3.074     .  0  0 "[    .    1    .    2]" 1 
       103 1 61 ASP H   1 62 ALA H   . . 3.730 2.758 2.364 3.175     .  0  0 "[    .    1    .    2]" 1 
       104 1 57 GLU H   1 58 ASP H   . . 4.370 2.658 2.456 3.100     .  0  0 "[    .    1    .    2]" 1 
       105 1 38 LEU H   1 57 GLU H   . . 5.200 4.235 3.326 5.042     .  0  0 "[    .    1    .    2]" 1 
       106 1 86 ASN H   1 87 ALA H   . . 3.780 3.371 2.635 4.092 0.312 15  0 "[    .    1    .    2]" 1 
       107 1 45 THR HA  1 46 VAL H   . . 3.570 2.513 2.401 2.735     .  0  0 "[    .    1    .    2]" 1 
       108 1 44 LYS QD  1 46 VAL H   . . 5.500 6.001 5.364 6.750 1.250 19 10 "[    .* * 1  **-***+*]" 1 
       109 1 44 LYS QG  1 46 VAL H   . . 5.500 5.330 4.926 5.815 0.315  8  0 "[    .    1    .    2]" 1 
       110 1 52 ALA H   1 53 PHE H   . . 5.280 4.394 4.240 4.533     .  0  0 "[    .    1    .    2]" 1 
       111 1 51 PHE H   1 52 ALA H   . . 5.060 4.448 4.346 4.562     .  0  0 "[    .    1    .    2]" 1 
       112 1 45 THR HB  1 46 VAL H   . . 3.730 3.814 3.746 3.957 0.227  6  0 "[    .    1    .    2]" 1 
       113 1 46 VAL H   1 46 VAL MG2 . . 4.640 1.954 1.856 2.095     .  0  0 "[    .    1    .    2]" 1 
       114 1 88 ARG H   1 89 GLU H   . . 4.740 3.433 1.868 4.695     .  0  0 "[    .    1    .    2]" 1 
       115 1 63 ALA H   1 64 ASP H   . . 3.970 3.103 2.822 3.384     .  0  0 "[    .    1    .    2]" 1 
       116 1 33 LYS QE  1 64 ASP H   . . 4.860 6.260 5.400 7.203 2.343 13 20  [*****-******+*******]  1 
       117 1 87 ALA MB  1 88 ARG H   . . 5.500 2.772 1.955 3.768     .  0  0 "[    .    1    .    2]" 1 
       118 1 10 VAL H   1 11 SER HA  . . 4.770 4.780 4.210 5.492 0.722 18  1 "[    .    1    .  + 2]" 1 
       119 1 10 VAL H   1 11 SER QB  . . 5.500 5.467 5.046 6.003 0.503 18  1 "[    .    1    .  + 2]" 1 
       120 1 62 ALA H   1 63 ALA MB  . . 4.370 4.376 4.127 4.757 0.387  6  0 "[    .    1    .    2]" 1 
       121 1 33 LYS QE  1 62 ALA H   . . 5.500 6.875 5.546 8.281 2.781 16 17 "[- *** ** ******+****]" 1 
       122 1 27 VAL H   1 29 ASN H   . . 4.890 4.510 4.206 4.700     .  0  0 "[    .    1    .    2]" 1 
       123 1 25 ARG QD  1 27 VAL H   . . 5.260 5.237 4.921 5.884 0.624  9  1 "[    .   +1    .    2]" 1 
       124 1 26 ASP QB  1 27 VAL H   . . 5.000 2.748 2.219 3.934     .  0  0 "[    .    1    .    2]" 1 
       125 1 23 SER H   1 27 VAL H   . . 5.500 4.525 3.883 4.867     .  0  0 "[    .    1    .    2]" 1 
       126 1 25 ARG H   1 27 VAL H   . . 5.500 4.381 3.982 4.902     .  0  0 "[    .    1    .    2]" 1 
       127 1 27 VAL H   1 28 GLU HA  . . 5.500 5.280 5.004 5.489     .  0  0 "[    .    1    .    2]" 1 
       128 1 72 CYS H   1 82 GLU QB  . . 5.150 5.852 5.605 6.472 1.322 14 18 "[** **-*******+** ***]" 1 
       129 1 72 CYS H   1 73 ASP H   . . 5.060 4.559 4.491 4.612     .  0  0 "[    .    1    .    2]" 1 
       130 1 60 ARG H   1 88 ARG QG  . . 5.020 3.696 2.003 5.109 0.089  1  0 "[    .    1    .    2]" 1 
       131 1 59 ALA H   1 60 ARG H   . . 3.780 2.782 2.547 3.080     .  0  0 "[    .    1    .    2]" 1 
       132 1 60 ARG H   1 62 ALA H   . . 5.270 4.377 3.924 4.729     .  0  0 "[    .    1    .    2]" 1 
       133 1 22 VAL H   1 23 SER H   . . 5.210 4.531 4.323 4.650     .  0  0 "[    .    1    .    2]" 1 
       134 1 23 SER H   1 23 SER HB2 . . 4.110 2.763 2.472 3.349     .  0  0 "[    .    1    .    2]" 1 
       135 1 22 VAL QG  1 23 SER H   . . 5.500 3.432 2.509 3.927     .  0  0 "[    .    1    .    2]" 1 
       136 1 72 CYS H   1 82 GLU H   . . 5.070 7.280 6.785 7.837 2.767 18 20  [**-**************+**]  1 
       137 1 72 CYS H   1 79 LEU H   . . 5.000 7.315 5.761 7.806 2.806 13 20  [**********-*+*******]  1 
       138 1 71 GLY H   1 72 CYS H   . . 3.820 2.074 1.917 2.246     .  0  0 "[    .    1    .    2]" 1 
       139 1 72 CYS H   1 80 ARG H   . . 5.390 7.223 6.774 7.759 2.369 20 20  [*********-*********+]  1 
       140 1 23 SER H   1 23 SER HB3 . . 3.740 3.535 3.275 3.658     .  0  0 "[    .    1    .    2]" 1 
       141 1 23 SER H   1 25 ARG QD  . . 4.810 5.603 5.212 6.497 1.687 12 19  [**-******1*+********]  1 
       142 1 70 ASP H   1 71 GLY H   . . 5.110 4.683 4.630 4.746     .  0  0 "[    .    1    .    2]" 1 
       143 1 69 LYS H   1 70 ASP H   . . 3.640 2.693 2.333 3.006     .  0  0 "[    .    1    .    2]" 1 
       144 1 69 LYS QB  1 70 ASP H   . . 4.990 3.883 3.327 4.202     .  0  0 "[    .    1    .    2]" 1 
       145 1 70 ASP H   1 81 VAL HB  . . 5.000 5.075 4.646 5.336 0.336 14  0 "[    .    1    .    2]" 1 
       146 1 66 ILE MD  1 70 ASP H   . . 5.500 5.021 3.705 6.145 0.645  7  4 "[    * +* 1-   .    2]" 1 
       147 1 70 ASP H   1 81 VAL QG  . . 5.000 4.382 3.780 4.833     .  0  0 "[    .    1    .    2]" 1 
       148 1 25 ARG HB3 1 26 ASP H   . . 3.860 3.240 2.439 4.225 0.365  6  0 "[    .    1    .    2]" 1 
       149 1 30 GLU H   1 31 PHE H   . . 3.780 2.829 2.489 3.138     .  0  0 "[    .    1    .    2]" 1 
       150 1 27 VAL HA  1 30 GLU H   . . 5.030 4.067 3.399 4.477     .  0  0 "[    .    1    .    2]" 1 
       151 1 30 GLU H   1 31 PHE QB  . . 5.000 4.856 4.314 5.315 0.315  7  0 "[    .    1    .    2]" 1 
       152 1 30 GLU H   1 30 GLU QG  . . 4.430 4.055 3.889 4.159     .  0  0 "[    .    1    .    2]" 1 
       153 1 23 SER H   1 26 ASP H   . . 4.650 4.046 3.637 4.388     .  0  0 "[    .    1    .    2]" 1 
       154 1 26 ASP H   1 28 GLU H   . . 5.170 4.148 3.608 4.503     .  0  0 "[    .    1    .    2]" 1 
       155 1 25 ARG QD  1 26 ASP H   . . 4.540 3.000 2.525 3.906     .  0  0 "[    .    1    .    2]" 1 
       156 1 25 ARG HB2 1 26 ASP H   . . 3.750 3.921 2.647 4.480 0.730  3  9 "[*-+** ** **   .    2]" 1 
       157 1 25 ARG H   1 26 ASP H   . . 3.790 2.885 2.392 3.242     .  0  0 "[    .    1    .    2]" 1 
       158 1 50 ALA H   1 51 PHE H   . . 5.050 4.543 4.434 4.639     .  0  0 "[    .    1    .    2]" 1 
       159 1 43 LYS QB  1 51 PHE H   . . 4.070 4.238 3.756 4.528 0.458 11  0 "[    .    1    .    2]" 1 
       160 1 43 LYS QG  1 51 PHE H   . . 5.000 5.756 5.180 6.260 1.260  1 16 "[+********** *-.* * *]" 1 
       161 1 45 THR H   1 51 PHE H   . . 5.000 4.674 4.454 5.022 0.022 14  0 "[    .    1    .    2]" 1 
       162 1 44 LYS H   1 45 THR H   . . 5.080 4.470 4.268 4.551     .  0  0 "[    .    1    .    2]" 1 
       163 1 43 LYS QB  1 44 LYS H   . . 3.940 2.958 2.453 3.412     .  0  0 "[    .    1    .    2]" 1 
       164 1 43 LYS QG  1 44 LYS H   . . 5.000 4.369 4.062 4.760     .  0  0 "[    .    1    .    2]" 1 
       165 1 24 SER H   1 42 VAL HB  . . 5.440 5.012 3.485 6.047 0.607 12  1 "[    .    1 +  .    2]" 1 
       166 1 24 SER H   1 25 ARG H   . . 3.890 3.023 2.676 3.265     .  0  0 "[    .    1    .    2]" 1 
       167 1 24 SER H   1 26 ASP H   . . 5.500 4.585 4.223 4.876     .  0  0 "[    .    1    .    2]" 1 
       168 1 23 SER HA  1 24 SER H   . . 3.440 2.530 2.409 2.741     .  0  0 "[    .    1    .    2]" 1 
       169 1 23 SER HB2 1 24 SER H   . . 3.710 3.428 2.693 3.833 0.123  8  0 "[    .    1    .    2]" 1 
       170 1 24 SER H   1 25 ARG HA  . . 5.000 5.530 5.274 5.687 0.687  2 12 "[*+*******-*  *.    2]" 1 
       171 1 23 SER HB3 1 24 SER H   . . 3.780 2.830 2.298 3.332     .  0  0 "[    .    1    .    2]" 1 
       172 1 10 VAL H   1 11 SER H   . . 4.410 4.212 3.873 4.521 0.111 19  0 "[    .    1    .    2]" 1 
       173 1  9 SER QB  1 11 SER H   . . 5.030 5.090 4.518 5.973 0.943 18  3 "[    . -  1    .  +*2]" 1 
       174 1 67 LYS H   1 67 LYS QD  . . 4.000 3.930 3.730 4.168 0.168 14  0 "[    .    1    .    2]" 1 
       175 1 66 ILE MD  1 67 LYS H   . . 4.200 4.412 4.105 4.749 0.549  6  2 "[    .+  -1    .    2]" 1 
       176 1 66 ILE MG  1 67 LYS H   . . 5.000 2.350 2.010 2.824     .  0  0 "[    .    1    .    2]" 1 
       177 1 67 LYS H   1 68 GLU H   . . 3.990 2.877 2.535 3.261     .  0  0 "[    .    1    .    2]" 1 
       178 1 61 ASP H   1 63 ALA H   . . 5.270 4.129 3.618 4.473     .  0  0 "[    .    1    .    2]" 1 
       179 1 62 ALA H   1 63 ALA H   . . 3.860 2.753 2.482 3.163     .  0  0 "[    .    1    .    2]" 1 
       180 1 60 ARG H   1 63 ALA H   . . 5.500 5.081 4.658 5.601 0.101  6  0 "[    .    1    .    2]" 1 
       181 1 33 LYS H   1 34 TYR H   . . 4.290 2.888 2.588 3.373     .  0  0 "[    .    1    .    2]" 1 
       182 1 64 ASP HA  1 67 LYS H   . . 5.000 3.853 3.302 4.493     .  0  0 "[    .    1    .    2]" 1 
       183 1 67 LYS H   1 70 ASP HA  . . 5.000 6.319 5.968 6.641 1.641 10 20  [***-*****+**********]  1 
       184 1 32 ARG H   1 33 LYS H   . . 4.250 2.956 2.618 3.500     .  0  0 "[    .    1    .    2]" 1 
       185 1 66 ILE H   1 66 ILE MD  . . 4.000 4.537 4.040 4.753 0.753 11 12 "[******** *+  -*    2]" 1 
       186 1 39 LYS H   1 55 GLU QG  . . 4.860 4.151 3.561 4.925 0.065  8  0 "[    .    1    .    2]" 1 
       187 1 56 PHE HA  1 58 ASP H   . . 5.500 4.323 3.869 4.685     .  0  0 "[    .    1    .    2]" 1 
       188 1  9 SER H   1 10 VAL H   . . 4.630 4.209 1.980 4.673 0.043 12  0 "[    .    1    .    2]" 1 
       189 1  8 GLU QG  1  9 SER H   . . 5.500 3.760 1.824 4.993     .  0  0 "[    .    1    .    2]" 1 
       190 1 34 TYR H   1 34 TYR QD  . . 2.750 2.654 1.937 3.043 0.293  7  0 "[    .    1    .    2]" 1 
       191 1 34 TYR H   1 35 GLY H   . . 3.520 2.639 2.272 2.973     .  0  0 "[    .    1    .    2]" 1 
       192 1 31 PHE HA  1 34 TYR H   . . 5.500 3.163 2.581 3.592     .  0  0 "[    .    1    .    2]" 1 
       193 1 39 LYS H   1 55 GLU H   . . 4.180 3.579 3.324 3.879     .  0  0 "[    .    1    .    2]" 1 
       194 1 38 LEU QB  1 39 LYS H   . . 4.780 2.946 2.357 3.573     .  0  0 "[    .    1    .    2]" 1 
       195 1 37 ILE MG  1 39 LYS H   . . 5.000 4.808 4.616 5.147 0.147  4  0 "[    .    1    .    2]" 1 
       196 1 66 ILE H   1 67 LYS H   . . 3.620 2.876 2.630 3.091     .  0  0 "[    .    1    .    2]" 1 
       197 1 42 VAL H   1 53 PHE H   . . 5.000 5.068 4.830 5.325 0.325  8  0 "[    .    1    .    2]" 1 
       198 1 18 LEU H   1 50 ALA H   . . 4.820 4.271 3.585 4.814     .  0  0 "[    .    1    .    2]" 1 
       199 1 18 LEU H   1 50 ALA MB  . . 5.500 4.375 3.316 5.049     .  0  0 "[    .    1    .    2]" 1 
       200 1 20 SER H   1 20 SER QB  . . 3.250 3.139 2.695 3.448 0.198  3  0 "[    .    1    .    2]" 1 
       201 1 35 GLY QA  1 36 ASN H   . . 3.450 2.417 2.143 2.768     .  0  0 "[    .    1    .    2]" 1 
       202 1 28 GLU H   1 29 ASN H   . . 3.930 3.127 2.825 3.430     .  0  0 "[    .    1    .    2]" 1 
       203 1 26 ASP H   1 29 ASN H   . . 5.000 4.834 4.563 5.079 0.079 11  0 "[    .    1    .    2]" 1 
       204 1 29 ASN H   1 30 GLU H   . . 3.850 2.893 2.589 3.241     .  0  0 "[    .    1    .    2]" 1 
       205 1 27 VAL HA  1 29 ASN H   . . 5.290 4.698 4.238 5.258     .  0  0 "[    .    1    .    2]" 1 
       206 1 28 GLU QG  1 29 ASN H   . . 5.100 3.584 1.964 4.429     .  0  0 "[    .    1    .    2]" 1 
       207 1 28 GLU QB  1 29 ASN H   . . 3.930 2.755 2.395 3.538     .  0  0 "[    .    1    .    2]" 1 
       208 1 29 ASN H   1 30 GLU QB  . . 5.000 4.674 4.291 5.050 0.050  1  0 "[    .    1    .    2]" 1 
       209 1 27 VAL QG  1 29 ASN H   . . 5.500 4.813 4.431 5.335     .  0  0 "[    .    1    .    2]" 1 
       210 1 13 ILE H   1 14 TYR HA  . . 5.500 4.940 4.768 5.049     .  0  0 "[    .    1    .    2]" 1 
       211 1 67 LYS H   1 69 LYS H   . . 5.470 4.356 3.917 4.719     .  0  0 "[    .    1    .    2]" 1 
       212 1 69 LYS H   1 69 LYS QE  . . 5.500 3.836 2.931 4.639     .  0  0 "[    .    1    .    2]" 1 
       213 1 68 GLU QG  1 69 LYS H   . . 4.510 2.612 2.022 3.005     .  0  0 "[    .    1    .    2]" 1 
       214 1 67 LYS QD  1 69 LYS H   . . 5.500 4.955 4.533 5.652 0.152 14  0 "[    .    1    .    2]" 1 
       215 1 16 GLY H   1 17 ASN H   . . 5.440 4.531 4.407 4.626     .  0  0 "[    .    1    .    2]" 1 
       216 1 17 ASN H   1 18 LEU H   . . 3.910 2.932 2.680 3.137     .  0  0 "[    .    1    .    2]" 1 
       217 1 30 GLU QG  1 31 PHE H   . . 5.170 4.102 3.499 4.503     .  0  0 "[    .    1    .    2]" 1 
       218 1 27 VAL HB  1 31 PHE H   . . 5.000 5.092 4.064 5.698 0.698 14  5 "[   -.    1   +* ** 2]" 1 
       219 1 30 GLU QB  1 31 PHE H   . . 4.570 2.798 2.404 3.170     .  0  0 "[    .    1    .    2]" 1 
       220 1 68 GLU H   1 69 LYS H   . . 3.700 2.671 2.462 3.060     .  0  0 "[    .    1    .    2]" 1 
       221 1 68 GLU H   1 69 LYS QE  . . 4.730 5.174 4.648 5.697 0.967 19  9 "[* * * ** *-   .   +*]" 1 
       222 1 68 GLU H   1 69 LYS QB  . . 4.240 5.091 4.740 5.724 1.484  2 19  [*+**.*************-*]  1 
       223 1 67 LYS QD  1 68 GLU H   . . 4.400 2.749 1.970 3.581     .  0  0 "[    .    1    .    2]" 1 
       224 1 46 VAL H   1 47 SER H   . . 3.910 2.677 2.489 3.133     .  0  0 "[    .    1    .    2]" 1 
       225 1 45 THR H   1 50 ALA HA  . . 3.600 3.396 3.117 3.941 0.341 17  0 "[    .    1    .    2]" 1 
       226 1 44 LYS QD  1 45 THR H   . . 4.270 4.215 2.530 4.834 0.564 14  3 "[    .    1   +.- * 2]" 1 
       227 1 44 LYS QG  1 45 THR H   . . 4.160 3.535 3.093 3.677     .  0  0 "[    .    1    .    2]" 1 
       228 1 15 VAL HB  1 16 GLY H   . . 5.500 4.313 3.653 4.595     .  0  0 "[    .    1    .    2]" 1 
       229 1 45 THR H   1 48 GLY H   . . 4.810 4.610 4.122 5.256 0.446  6  0 "[    .    1    .    2]" 1 
       230 1 76 GLY H   1 77 ASN H   . . 3.820 2.896 2.681 3.119     .  0  0 "[    .    1    .    2]" 1 
       231 1 75 GLU H   1 76 GLY H   . . 4.070 2.849 2.760 3.004     .  0  0 "[    .    1    .    2]" 1 
       232 1 35 GLY H   1 36 ASN H   . . 5.140 3.727 1.841 4.520     .  0  0 "[    .    1    .    2]" 1 
       233 1 32 ARG HA  1 35 GLY H   . . 5.500 3.472 2.679 4.471     .  0  0 "[    .    1    .    2]" 1 
       234 1 27 VAL HA  1 30 GLU QB  . . 4.540 3.502 2.430 4.161     .  0  0 "[    .    1    .    2]" 1 
       235 1 27 VAL HA  1 28 GLU QB  . . 5.000 5.265 5.174 5.356 0.356  5  0 "[    .    1    .    2]" 1 
       236 1 23 SER HB2 1 25 ARG H   . . 4.030 3.421 3.036 3.842     .  0  0 "[    .    1    .    2]" 1 
       237 1 66 ILE HA  1 66 ILE MG  . . 3.350 3.155 2.739 3.227     .  0  0 "[    .    1    .    2]" 1 
       238 1 66 ILE HA  1 66 ILE MD  . . 3.520 3.048 2.164 3.837 0.317  8  0 "[    .    1    .    2]" 1 
       239 1 46 VAL HA  1 46 VAL MG2 . . 3.300 2.783 2.492 3.271     .  0  0 "[    .    1    .    2]" 1 
       240 1  9 SER QB  1 10 VAL HA  . . 4.520 4.355 3.975 4.825 0.305 18  0 "[    .    1    .    2]" 1 
       241 1  9 SER QB  1 11 SER HA  . . 5.000 5.202 4.759 5.735 0.735 18  3 "[    .*   1    .  +-2]" 1 
       242 1 11 SER QB  1 12 ARG H   . . 4.270 3.424 2.927 3.846     .  0  0 "[    .    1    .    2]" 1 
       243 1 47 SER H   1 47 SER QB  . . 3.840 2.458 2.245 2.951     .  0  0 "[    .    1    .    2]" 1 
       244 1 19 PRO QG  1 20 SER QB  . . 4.580 4.798 4.356 5.482 0.902 20  4 "[   -.   *1   *.    +]" 1 
       245 1 84 PRO HA  1 85 PHE H   . . 3.080 3.161 2.880 3.334 0.254 19  0 "[    .    1    .    2]" 1 
       246 1 19 PRO HA  1 20 SER H   . . 3.040 2.228 2.108 2.318     .  0  0 "[    .    1    .    2]" 1 
       247 1 24 SER HA  1 27 VAL HB  . . 4.070 3.954 2.519 4.971 0.901 13  6 "[  - .   **  + .   **]" 1 
       248 1 24 SER HA  1 42 VAL QG  . . 3.560 3.229 2.278 3.931 0.371  2  0 "[    .    1    .    2]" 1 
       249 1 24 SER HA  1 27 VAL QG  . . 4.540 2.256 1.934 3.152     .  0  0 "[    .    1    .    2]" 1 
       250 1 22 VAL HA  1 23 SER H   . . 2.850 2.247 2.065 2.440     .  0  0 "[    .    1    .    2]" 1 
       251 1 22 VAL HA  1 26 ASP QB  . . 4.210 3.537 2.154 4.028     .  0  0 "[    .    1    .    2]" 1 
       252 1 42 VAL HA  1 53 PHE H   . . 4.090 3.360 2.970 3.717     .  0  0 "[    .    1    .    2]" 1 
       253 1 42 VAL HA  1 43 LYS H   . . 3.020 2.136 2.020 2.262     .  0  0 "[    .    1    .    2]" 1 
       254 1 37 ILE HA  1 38 LEU H   . . 3.190 2.181 2.034 2.371     .  0  0 "[    .    1    .    2]" 1 
       255 1 37 ILE HA  1 56 PHE HA  . . 3.540 2.317 1.870 2.862     .  0  0 "[    .    1    .    2]" 1 
       256 1 81 VAL HA  1 82 GLU H   . . 3.170 2.329 2.216 2.438     .  0  0 "[    .    1    .    2]" 1 
       257 1 66 ILE MD  1 81 VAL HA  . . 3.840 4.359 3.903 5.370 1.530  8  6 "[    *- +*1    *   *2]" 1 
       258 1 28 GLU HA  1 28 GLU QG  . . 3.890 2.598 2.207 3.613     .  0  0 "[    .    1    .    2]" 1 
       259 1 27 VAL QG  1 28 GLU HA  . . 4.620 3.749 3.128 4.111     .  0  0 "[    .    1    .    2]" 1 
       260 1 34 TYR HA  1 34 TYR QD  . . 3.200 2.847 2.331 3.038     .  0  0 "[    .    1    .    2]" 1 
       261 1 34 TYR HA  1 35 GLY H   . . 5.000 3.613 3.360 3.759     .  0  0 "[    .    1    .    2]" 1 
       262 1 38 LEU QD  1 57 GLU HA  . . 3.420 3.097 2.471 3.641 0.221  1  0 "[    .    1    .    2]" 1 
       263 1 60 ARG HA  1 63 ALA H   . . 4.420 3.545 3.163 3.996     .  0  0 "[    .    1    .    2]" 1 
       264 1 25 ARG HA  1 28 GLU QB  . . 3.630 2.751 2.280 3.116     .  0  0 "[    .    1    .    2]" 1 
       265 1 25 ARG HA  1 25 ARG QG  . . 3.530 2.721 2.391 3.038     .  0  0 "[    .    1    .    2]" 1 
       266 1 60 ARG HA  1 60 ARG QG  . . 3.290 3.349 2.436 3.571 0.281  8  0 "[    .    1    .    2]" 1 
       267 1 32 ARG HA  1 32 ARG QD  . . 4.340 4.079 3.626 4.621 0.281 10  0 "[    .    1    .    2]" 1 
       268 1 70 ASP HA  1 81 VAL QG  . . 5.000 3.513 2.511 4.175     .  0  0 "[    .    1    .    2]" 1 
       269 1  9 SER HA  1 10 VAL H   . . 2.830 2.671 2.301 3.306 0.476  7  0 "[    .    1    .    2]" 1 
       270 1 85 PHE HA  1 86 ASN H   . . 3.190 3.306 2.355 3.561 0.371 17  0 "[    .    1    .    2]" 1 
       271 1 10 VAL QG  1 11 SER HA  . . 4.870 4.318 3.809 4.602     .  0  0 "[    .    1    .    2]" 1 
       272 1 66 ILE MD  1 70 ASP HA  . . 5.000 4.140 3.191 4.892     .  0  0 "[    .    1    .    2]" 1 
       273 1 70 ASP HA  1 81 VAL HB  . . 3.740 3.262 2.624 4.243 0.503 14  1 "[    .    1   +.    2]" 1 
       274 1 67 LYS QD  1 68 GLU HA  . . 3.840 3.071 2.830 3.409     .  0  0 "[    .    1    .    2]" 1 
       275 1 85 PHE HA  1 85 PHE QD  . . 4.180 3.510 2.241 3.790     .  0  0 "[    .    1    .    2]" 1 
       276 1 26 ASP HA  1 29 ASN HB2 . . 3.820 4.040 3.246 4.549 0.729  9  7 "[*   ** *+1    .-   *]" 1 
       277 1 30 GLU HA  1 30 GLU QG  . . 3.510 2.620 2.226 2.948     .  0  0 "[    .    1    .    2]" 1 
       278 1 26 ASP HA  1 29 ASN H   . . 4.190 3.460 2.409 3.691     .  0  0 "[    .    1    .    2]" 1 
       279 1 30 GLU HA  1 32 ARG H   . . 4.700 4.605 4.326 5.010 0.310  3  0 "[    .    1    .    2]" 1 
       280 1 64 ASP HA  1 65 ALA H   . . 3.530 3.575 3.497 3.663 0.133  3  0 "[    .    1    .    2]" 1 
       281 1 75 GLU HA  1 75 GLU HG2 . . 3.600 2.809 2.288 3.417     .  0  0 "[    .    1    .    2]" 1 
       282 1 75 GLU HA  1 75 GLU HG3 . . 4.000 3.224 2.438 3.927     .  0  0 "[    .    1    .    2]" 1 
       283 1 53 PHE HA  1 53 PHE QE  . . 4.310 4.410 4.158 4.712 0.402 10  0 "[    .    1    .    2]" 1 
       284 1 53 PHE HA  1 54 ILE H   . . 3.250 2.273 2.155 2.429     .  0  0 "[    .    1    .    2]" 1 
       285 1  8 GLU HA  1  9 SER H   . . 2.900 2.540 2.112 3.207 0.307  7  0 "[    .    1    .    2]" 1 
       286 1 29 ASN HA  1 32 ARG QG  . . 4.470 2.375 1.863 3.392     .  0  0 "[    .    1    .    2]" 1 
       287 1 14 TYR HA  1 15 VAL H   . . 3.130 2.313 2.082 2.461     .  0  0 "[    .    1    .    2]" 1 
       288 1 39 LYS HA  1 40 CYS H   . . 2.850 2.310 2.161 2.410     .  0  0 "[    .    1    .    2]" 1 
       289 1  7 ARG HA  1  8 GLU H   . . 2.920 2.458 2.112 3.170 0.250 16  0 "[    .    1    .    2]" 1 
       290 1 88 ARG HA  1 89 GLU H   . . 3.280 2.753 2.084 3.633 0.353  2  0 "[    .    1    .    2]" 1 
       291 1 18 LEU QD  1 51 PHE HA  . . 3.940 3.334 2.605 4.460 0.520 14  1 "[    .    1   +.    2]" 1 
       292 1 21 HIS HA  1 21 HIS HB2 . . 2.500 2.508 2.234 3.016 0.516 19  2 "[    .  - 1    .   +2]" 1 
       293 1 78 LYS HA  1 79 LEU H   . . 2.940 2.318 2.154 2.427     .  0  0 "[    .    1    .    2]" 1 
       294 1 59 ALA HA  1 62 ALA H   . . 4.000 4.075 3.777 4.396 0.396  4  0 "[    .    1    .    2]" 1 
       295 1 59 ALA HA  1 61 ASP H   . . 4.620 4.714 4.426 5.007 0.387  3  0 "[    .    1    .    2]" 1 
       296 1 55 GLU HA  1 56 PHE H   . . 2.880 2.186 2.097 2.290     .  0  0 "[    .    1    .    2]" 1 
       297 1 63 ALA HA  1 67 LYS H   . . 4.130 3.798 3.534 4.023     .  0  0 "[    .    1    .    2]" 1 
       298 1 63 ALA HA  1 65 ALA H   . . 5.000 4.536 4.253 4.863     .  0  0 "[    .    1    .    2]" 1 
       299 1 63 ALA HA  1 66 ILE MG  . . 4.410 2.283 1.924 3.906     .  0  0 "[    .    1    .    2]" 1 
       300 1 63 ALA HA  1 66 ILE MD  . . 4.780 4.825 4.436 5.472 0.692  9  1 "[    .   +1    .    2]" 1 
       301 1 44 LYS HA  1 45 THR H   . . 3.110 2.366 2.163 2.501     .  0  0 "[    .    1    .    2]" 1 
       302 1 73 ASP HA  1 74 PHE H   . . 3.200 2.266 2.048 2.464     .  0  0 "[    .    1    .    2]" 1 
       303 1 65 ALA HA  1 67 LYS QD  . . 4.560 5.013 4.061 5.954 1.394 14  9 "[    .    1 **+****-*]" 1 
       304 1 12 ARG HA  1 13 ILE MG  . . 5.320 5.588 5.475 5.754 0.434  2  0 "[    .    1    .    2]" 1 
       305 1 10 VAL QG  1 12 ARG HA  . . 5.000 4.988 4.165 5.687 0.687  1  2 "[+   .   -1    .    2]" 1 
       306 1 12 ARG HA  1 13 ILE H   . . 3.110 2.427 2.257 2.546     .  0  0 "[    .    1    .    2]" 1 
       307 1 62 ALA HA  1 64 ASP H   . . 4.810 4.081 3.570 4.686     .  0  0 "[    .    1    .    2]" 1 
       308 1 62 ALA HA  1 66 ILE H   . . 5.000 4.596 4.339 4.874     .  0  0 "[    .    1    .    2]" 1 
       309 1 62 ALA HA  1 63 ALA MB  . . 5.010 4.968 4.818 5.082 0.072  6  0 "[    .    1    .    2]" 1 
       310 1 62 ALA HA  1 65 ALA H   . . 4.400 3.496 3.019 3.824     .  0  0 "[    .    1    .    2]" 1 
       311 1 36 ASN HA  1 37 ILE H   . . 2.800 2.174 2.086 2.267     .  0  0 "[    .    1    .    2]" 1 
       312 1 80 ARG HA  1 80 ARG QG  . . 3.440 3.195 2.463 3.432     .  0  0 "[    .    1    .    2]" 1 
       313 1 80 ARG HA  1 81 VAL H   . . 3.110 2.277 2.077 2.423     .  0  0 "[    .    1    .    2]" 1 
       314 1 43 LYS HA  1 44 LYS H   . . 2.990 2.454 2.225 2.638     .  0  0 "[    .    1    .    2]" 1 
       315 1 43 LYS HA  1 43 LYS QD  . . 4.040 3.273 2.218 4.116 0.076  3  0 "[    .    1    .    2]" 1 
       316 1 43 LYS HA  1 44 LYS QD  . . 5.000 4.493 3.680 5.886 0.886 17  4 "[    .- * 1    . + *2]" 1 
       317 1 43 LYS HA  1 44 LYS QB  . . 5.000 4.183 3.937 4.389     .  0  0 "[    .    1    .    2]" 1 
       318 1 17 ASN HA  1 18 LEU H   . . 3.540 2.996 2.870 3.143     .  0  0 "[    .    1    .    2]" 1 
       319 1 17 ASN HA  1 50 ALA H   . . 4.270 3.575 2.965 3.970     .  0  0 "[    .    1    .    2]" 1 
       320 1 41 ASP HA  1 42 VAL H   . . 2.690 2.237 2.131 2.366     .  0  0 "[    .    1    .    2]" 1 
       321 1 86 ASN HA  1 87 ALA MB  . . 4.290 4.150 3.798 4.537 0.247 17  0 "[    .    1    .    2]" 1 
       322 1 86 ASN HA  1 87 ALA H   . . 3.050 2.619 2.124 3.609 0.559 15  2 "[    -    1    +    2]" 1 
       323 1 58 ASP HA  1 59 ALA H   . . 2.990 2.183 1.986 2.392     .  0  0 "[    .    1    .    2]" 1 
       324 1 58 ASP HA  1 59 ALA MB  . . 4.360 4.038 3.740 4.373 0.013  1  0 "[    .    1    .    2]" 1 
       325 1 87 ALA HA  1 88 ARG H   . . 3.100 2.824 2.161 3.527 0.427 11  0 "[    .    1    .    2]" 1 
       326 1 49 ALA HA  1 50 ALA H   . . 2.820 2.233 2.132 2.297     .  0  0 "[    .    1    .    2]" 1 
       327 1 17 ASN HA  1 49 ALA HA  . . 3.480 3.723 3.342 3.985 0.505  4  1 "[   +.    1    .    2]" 1 
       328 1 44 LYS QB  1 50 ALA HA  . . 4.780 3.201 2.000 4.803 0.023  6  0 "[    .    1    .    2]" 1 
       329 1 44 LYS QD  1 50 ALA HA  . . 5.000 4.975 2.018 5.905 0.905 14 14 "[****- *  ****+** * 2]" 1 
       330 1 45 THR MG  1 50 ALA HA  . . 4.900 4.310 4.103 4.492     .  0  0 "[    .    1    .    2]" 1 
       331 1 50 ALA HA  1 51 PHE H   . . 2.900 2.346 2.217 2.432     .  0  0 "[    .    1    .    2]" 1 
       332 1 44 LYS HA  1 50 ALA HA  . . 3.150 2.624 2.282 3.228 0.078  6  0 "[    .    1    .    2]" 1 
       333 1 18 LEU HB2 1 19 PRO HD2 . . 4.630 2.834 2.201 4.155     .  0  0 "[    .    1    .    2]" 1 
       334 1 18 LEU HB2 1 19 PRO HD3 . . 4.280 3.953 3.268 5.022 0.742 10  2 "[    .    +   -.    2]" 1 
       335 1 51 PHE H   1 52 ALA HA  . . 4.840 4.800 4.641 4.996 0.156 11  0 "[    .    1    .    2]" 1 
       336 1 52 ALA HA  1 54 ILE H   . . 5.000 5.968 5.814 6.177 1.177  2 20  [*+***************-**]  1 
       337 1 43 LYS H   1 52 ALA HA  . . 3.740 3.317 2.784 4.043 0.303  4  0 "[    .    1    .    2]" 1 
       338 1 52 ALA HA  1 53 PHE H   . . 2.950 2.197 2.092 2.385     .  0  0 "[    .    1    .    2]" 1 
       339 1 42 VAL HA  1 52 ALA HA  . . 3.170 2.492 2.164 3.030     .  0  0 "[    .    1    .    2]" 1 
       340 1 42 VAL QG  1 52 ALA HA  . . 4.230 3.131 2.649 3.616     .  0  0 "[    .    1    .    2]" 1 
       341 1 58 ASP QB  1 59 ALA H   . . 4.440 3.487 3.101 3.767     .  0  0 "[    .    1    .    2]" 1 
       342 1 58 ASP QB  1 60 ARG H   . . 4.470 3.516 3.024 3.992     .  0  0 "[    .    1    .    2]" 1 
       343 1 58 ASP QB  1 61 ASP H   . . 4.370 2.981 2.616 3.341     .  0  0 "[    .    1    .    2]" 1 
       344 1 39 LYS QD  1 41 ASP QB  . . 4.700 2.711 2.184 4.579     .  0  0 "[    .    1    .    2]" 1 
       345 1 39 LYS HB3 1 41 ASP QB  . . 5.000 5.431 5.148 5.850 0.850 14  5 "[  * .    1- *+.*   2]" 1 
       346 1 39 LYS QG  1 41 ASP QB  . . 4.900 4.081 3.103 4.630     .  0  0 "[    .    1    .    2]" 1 
       347 1 40 CYS HA  1 41 ASP QB  . . 4.770 4.138 3.981 4.307     .  0  0 "[    .    1    .    2]" 1 
       348 1 41 ASP QB  1 53 PHE QB  . . 4.450 2.842 2.396 4.006     .  0  0 "[    .    1    .    2]" 1 
       349 1 40 CYS QB  1 41 ASP QB  . . 5.000 4.936 4.800 5.106 0.106  3  0 "[    .    1    .    2]" 1 
       350 1 57 GLU QG  1 58 ASP QB  . . 4.990 3.278 2.333 4.551     .  0  0 "[    .    1    .    2]" 1 
       351 1 41 ASP H   1 41 ASP QB  . . 3.430 2.607 2.520 2.894     .  0  0 "[    .    1    .    2]" 1 
       352 1 41 ASP QB  1 42 VAL H   . . 4.000 3.503 2.832 3.759     .  0  0 "[    .    1    .    2]" 1 
       353 1 80 ARG HA  1 80 ARG QD  . . 4.420 2.805 2.314 3.579     .  0  0 "[    .    1    .    2]" 1 
       354 1 60 ARG HA  1 60 ARG QD  . . 4.610 4.010 3.680 4.470     .  0  0 "[    .    1    .    2]" 1 
       355 1 58 ASP QB  1 60 ARG QD  . . 4.790 4.149 2.810 5.840 1.050 18  1 "[    .    1    .  + 2]" 1 
       356 1 14 TYR QE  1 16 GLY HA3 . . 4.230 3.462 2.589 3.873     .  0  0 "[    .    1    .    2]" 1 
       357 1 60 ARG QB  1 60 ARG QD  . . 3.430 2.289 2.040 2.610     .  0  0 "[    .    1    .    2]" 1 
       358 1 88 ARG HA  1 88 ARG QD  . . 4.560 3.264 2.204 4.136     .  0  0 "[    .    1    .    2]" 1 
       359 1 25 ARG HA  1 25 ARG QD  . . 3.950 3.834 3.539 4.081 0.131 14  0 "[    .    1    .    2]" 1 
       360 1 73 ASP HB2 1 74 PHE H   . . 4.650 4.113 3.844 4.410     .  0  0 "[    .    1    .    2]" 1 
       361 1 73 ASP H   1 73 ASP HB2 . . 3.200 2.702 2.569 2.830     .  0  0 "[    .    1    .    2]" 1 
       362 1 73 ASP H   1 73 ASP HB3 . . 3.170 3.208 2.558 3.729 0.559 20  1 "[    .    1    .    +]" 1 
       363 1 53 PHE H   1 53 PHE QB  . . 3.840 2.434 2.178 2.667     .  0  0 "[    .    1    .    2]" 1 
       364 1 42 VAL QG  1 53 PHE QB  . . 4.760 4.949 4.741 5.370 0.610 15  1 "[    .    1    +    2]" 1 
       365 1 53 PHE QB  1 54 ILE QG  . . 5.000 4.774 4.297 5.294 0.294  4  0 "[    .    1    .    2]" 1 
       366 1 42 VAL QG  1 44 LYS QE  . . 5.000 3.586 2.229 4.301     .  0  0 "[    .    1    .    2]" 1 
       367 1 53 PHE QB  1 55 GLU H   . . 5.000 5.259 4.726 5.723 0.723 15  4 "[ *  *  - 1    +    2]" 1 
       368 1 67 LYS QE  1 68 GLU QB  . . 4.950 3.350 3.103 3.674     .  0  0 "[    .    1    .    2]" 1 
       369 1 67 LYS QE  1 68 GLU QG  . . 5.000 4.781 3.872 5.163 0.163 14  0 "[    .    1    .    2]" 1 
       370 1 40 CYS HA  1 53 PHE QB  . . 3.850 4.537 4.174 5.181 1.331 15 16 "[**  *****- * *+*****]" 1 
       371 1 44 LYS QE  1 45 THR HA  . . 5.000 6.048 5.629 6.677 1.677 19 20  [**-***************+*]  1 
       372 1 39 LYS QE  1 40 CYS HA  . . 5.000 4.812 3.506 5.584 0.584  6  1 "[    .+   1    .    2]" 1 
       373 1 76 GLY HA3 1 78 LYS QE  . . 4.520 4.653 4.023 5.148 0.628  9  5 "[  **-   +*    .    2]" 1 
       374 1 39 LYS QE  1 41 ASP QB  . . 4.660 2.578 2.089 3.112     .  0  0 "[    .    1    .    2]" 1 
       375 1 34 TYR QE  1 69 LYS QE  . . 4.190 4.087 3.018 5.021 0.831 13  3 "[    .    1  +*.-   2]" 1 
       376 1 69 LYS HA  1 69 LYS QE  . . 4.390 4.215 3.739 4.646 0.256  1  0 "[    .    1    .    2]" 1 
       377 1 33 LYS QE  1 62 ALA MB  . . 4.140 5.934 4.912 7.185 3.045 16 20  [********-******+****]  1 
       378 1 33 LYS QE  1 34 TYR QE  . . 3.880 3.536 2.733 4.514 0.634  6  3 "[ -  .+  *1    .    2]" 1 
       379 1 68 GLU QG  1 69 LYS QE  . . 2.720 2.554 2.269 3.286 0.566 19  1 "[    .    1    .   +2]" 1 
       380 1 70 ASP H   1 70 ASP QB  . . 3.510 2.484 2.128 2.723     .  0  0 "[    .    1    .    2]" 1 
       381 1 70 ASP QB  1 81 VAL QG  . . 5.000 4.251 3.546 4.949     .  0  0 "[    .    1    .    2]" 1 
       382 1 51 PHE HB2 1 52 ALA H   . . 4.410 3.685 3.253 3.932     .  0  0 "[    .    1    .    2]" 1 
       383 1 51 PHE HB3 1 52 ALA H   . . 4.430 2.937 2.478 3.291     .  0  0 "[    .    1    .    2]" 1 
       384 1 70 ASP QB  1 81 VAL HB  . . 3.590 4.500 3.914 5.449 1.859 14 14 "[ *  *-** 1 **+******]" 1 
       385 1 56 PHE HB2 1 57 GLU H   . . 4.170 3.210 2.256 4.314 0.144  1  0 "[    .    1    .    2]" 1 
       386 1 31 PHE QB  1 54 ILE MD  . . 4.910 4.015 3.013 4.646     .  0  0 "[    .    1    .    2]" 1 
       387 1 23 SER H   1 26 ASP QB  . . 3.890 3.061 2.213 4.095 0.205 11  0 "[    .    1    .    2]" 1 
       388 1 26 ASP H   1 26 ASP QB  . . 3.640 2.590 2.101 2.932     .  0  0 "[    .    1    .    2]" 1 
       389 1 22 VAL HB  1 26 ASP QB  . . 4.170 3.527 2.639 4.402 0.232 19  0 "[    .    1    .    2]" 1 
       390 1 26 ASP QB  1 27 VAL QG  . . 3.930 3.567 2.996 4.450 0.520  4  2 "[   +.    1-   .    2]" 1 
       391 1 14 TYR QB  1 15 VAL H   . . 4.760 3.963 3.838 4.070     .  0  0 "[    .    1    .    2]" 1 
       392 1 14 TYR H   1 14 TYR QB  . . 3.580 2.392 2.297 2.466     .  0  0 "[    .    1    .    2]" 1 
       393 1 54 ILE HB  1 85 PHE QE  . . 4.820 5.584 5.063 6.382 1.562 17 16 "[* * ******  -***+***]" 1 
       394 1 54 ILE H   1 54 ILE HB  . . 4.000 3.207 2.743 3.674     .  0  0 "[    .    1    .    2]" 1 
       395 1 13 ILE MD  1 54 ILE HB  . . 4.330 3.289 1.942 4.704 0.374  2  0 "[    .    1    .    2]" 1 
       396 1 27 VAL QG  1 54 ILE HB  . . 5.000 4.308 3.879 4.984     .  0  0 "[    .    1    .    2]" 1 
       397 1 64 ASP H   1 64 ASP HB2 . . 3.560 2.465 2.039 2.838     .  0  0 "[    .    1    .    2]" 1 
       398 1 64 ASP H   1 64 ASP HB3 . . 3.540 3.556 3.027 3.726 0.186  1  0 "[    .    1    .    2]" 1 
       399 1 64 ASP HB3 1 65 ALA H   . . 3.910 3.289 2.573 3.529     .  0  0 "[    .    1    .    2]" 1 
       400 1 61 ASP HB2 1 62 ALA H   . . 4.230 3.302 2.578 3.828     .  0  0 "[    .    1    .    2]" 1 
       401 1 61 ASP H   1 61 ASP HB3 . . 4.200 3.347 2.702 3.711     .  0  0 "[    .    1    .    2]" 1 
       402 1 37 ILE HB  1 54 ILE HA  . . 4.530 5.463 4.806 6.456 1.926 19 16 "[*  *- ** *********+*]" 1 
       403 1 36 ASN HA  1 37 ILE HB  . . 5.000 5.047 4.529 5.857 0.857 11  1 "[    .    1+   .    2]" 1 
       404 1 37 ILE HB  1 37 ILE MD  . . 3.610 3.188 2.449 3.300     .  0  0 "[    .    1    .    2]" 1 
       405 1 76 GLY HA3 1 77 ASN QB  . . 4.600 4.986 4.361 5.446 0.846  6  8 "[****.+** 1    .   -2]" 1 
       406 1 61 ASP H   1 61 ASP HB2 . . 3.930 2.373 2.096 2.831     .  0  0 "[    .    1    .    2]" 1 
       407 1 61 ASP HB3 1 62 ALA H   . . 4.390 3.311 2.400 3.905     .  0  0 "[    .    1    .    2]" 1 
       408 1 85 PHE H   1 85 PHE HB2 . . 3.840 3.610 2.537 3.931 0.091  2  0 "[    .    1    .    2]" 1 
       409 1 85 PHE H   1 85 PHE HB3 . . 3.860 3.337 2.941 3.957 0.097  7  0 "[    .    1    .    2]" 1 
       410 1 66 ILE H   1 66 ILE HB  . . 3.550 2.383 2.139 2.814     .  0  0 "[    .    1    .    2]" 1 
       411 1 66 ILE HB  1 69 LYS QG  . . 4.970 5.601 5.058 6.477 1.507 19 15 "[* ******** *  ***-+2]" 1 
       412 1 66 ILE HB  1 67 LYS QG  . . 5.000 5.596 4.842 5.924 0.924 19 15 "[   **-** *********+2]" 1 
       413 1 63 ALA MB  1 66 ILE HB  . . 5.000 4.641 4.115 5.378 0.378  8  0 "[    .    1    .    2]" 1 
       414 1 86 ASN H   1 86 ASN HB2 . . 4.030 3.163 2.446 3.668     .  0  0 "[    .    1    .    2]" 1 
       415 1 86 ASN H   1 86 ASN HB3 . . 4.060 3.865 2.724 4.192 0.132  9  0 "[    .    1    .    2]" 1 
       416 1 86 ASN HB3 1 87 ALA H   . . 4.360 4.138 2.399 4.561 0.201  4  0 "[    .    1    .    2]" 1 
       417 1 36 ASN QB  1 57 GLU QB  . . 4.090 3.352 2.337 4.046     .  0  0 "[    .    1    .    2]" 1 
       418 1 36 ASN H   1 36 ASN QB  . . 3.450 2.515 2.035 3.018     .  0  0 "[    .    1    .    2]" 1 
       419 1 36 ASN QB  1 37 ILE H   . . 4.310 3.726 3.285 3.994     .  0  0 "[    .    1    .    2]" 1 
       420 1 36 ASN QB  1 57 GLU QG  . . 4.060 2.599 1.941 4.653 0.593 13  1 "[    .    1  + .    2]" 1 
       421 1 29 ASN H   1 29 ASN HB2 . . 3.450 2.496 2.122 2.825     .  0  0 "[    .    1    .    2]" 1 
       422 1 29 ASN HB2 1 30 GLU H   . . 4.760 3.557 2.444 4.059     .  0  0 "[    .    1    .    2]" 1 
       423 1 29 ASN H   1 29 ASN HB3 . . 3.340 2.951 2.511 3.721 0.381 10  0 "[    .    1    .    2]" 1 
       424 1 34 TYR QB  1 65 ALA MB  . . 4.140 3.044 2.311 4.072     .  0  0 "[    .    1    .    2]" 1 
       425 1 34 TYR QE  1 68 GLU QG  . . 4.540 4.397 3.154 4.897 0.357 11  0 "[    .    1    .    2]" 1 
       426 1 68 GLU HA  1 68 GLU QG  . . 3.870 3.303 2.793 3.543     .  0  0 "[    .    1    .    2]" 1 
       427 1 68 GLU H   1 68 GLU QG  . . 3.960 2.860 2.215 3.478     .  0  0 "[    .    1    .    2]" 1 
       428 1 68 GLU QG  1 69 LYS QB  . . 3.640 3.834 2.946 4.245 0.605  3  6 "[  + . *  -* * .  * 2]" 1 
       429 1 67 LYS QD  1 68 GLU QG  . . 4.010 4.437 3.930 5.570 1.560 14  5 "[    .    1 * +. *- *]" 1 
       430 1 67 LYS QG  1 68 GLU QG  . . 4.930 4.873 4.020 5.377 0.447  3  0 "[    .    1    .    2]" 1 
       431 1 68 GLU QG  1 69 LYS QG  . . 5.000 3.268 2.068 4.607     .  0  0 "[    .    1    .    2]" 1 
       432 1 28 GLU QG  1 37 ILE MD  . . 4.720 2.819 1.954 4.462     .  0  0 "[    .    1    .    2]" 1 
       433 1 39 LYS HB2 1 40 CYS H   . . 4.480 4.051 2.707 4.640 0.160  8  0 "[    .    1    .    2]" 1 
       434 1 38 LEU QD  1 57 GLU QG  . . 5.050 3.606 3.070 4.070     .  0  0 "[    .    1    .    2]" 1 
       435 1 39 LYS HB3 1 40 CYS H   . . 4.580 4.125 3.913 4.525     .  0  0 "[    .    1    .    2]" 1 
       436 1 57 GLU H   1 57 GLU QG  . . 4.600 2.873 1.931 3.984     .  0  0 "[    .    1    .    2]" 1 
       437 1 89 GLU H   1 89 GLU QG  . . 4.710 3.629 2.619 4.207     .  0  0 "[    .    1    .    2]" 1 
       438 1 89 GLU QB  1 89 GLU QG  . . 2.470 2.053 1.997 2.113     .  0  0 "[    .    1    .    2]" 1 
       439 1  8 GLU H   1  8 GLU QG  . . 4.280 3.662 1.935 4.638 0.358  4  0 "[    .    1    .    2]" 1 
       440 1 43 LYS QB  1 51 PHE QD  . . 4.560 3.016 2.152 3.611     .  0  0 "[    .    1    .    2]" 1 
       441 1 44 LYS QB  1 45 THR H   . . 4.100 3.208 2.797 3.765     .  0  0 "[    .    1    .    2]" 1 
       442 1 44 LYS H   1 44 LYS QB  . . 3.920 2.922 2.504 3.047     .  0  0 "[    .    1    .    2]" 1 
       443 1 43 LYS H   1 44 LYS QB  . . 5.000 5.156 4.770 5.599 0.599  6  1 "[    .+   1    .    2]" 1 
       444 1 75 GLU H   1 75 GLU HG2 . . 4.290 3.921 3.092 4.857 0.567  1  4 "[+   . -  1   *.*   2]" 1 
       445 1 75 GLU H   1 75 GLU HG3 . . 4.230 3.937 3.159 4.809 0.579  3  2 "[ -+ .    1    .    2]" 1 
       446 1 82 GLU H   1 82 GLU HG2 . . 4.910 4.298 2.569 4.973 0.063  1  0 "[    .    1    .    2]" 1 
       447 1 69 LYS H   1 69 LYS QB  . . 3.860 2.770 2.558 3.099     .  0  0 "[    .    1    .    2]" 1 
       448 1 69 LYS QB  1 69 LYS QD  . . 3.440 2.583 2.202 2.866     .  0  0 "[    .    1    .    2]" 1 
       449 1 66 ILE MD  1 81 VAL HB  . . 3.760 3.491 2.417 4.330 0.570  8  1 "[    .  + 1    .    2]" 1 
       450 1 81 VAL H   1 81 VAL HB  . . 4.000 2.972 2.723 3.724     .  0  0 "[    .    1    .    2]" 1 
       451 1 15 VAL H   1 15 VAL HB  . . 4.050 3.208 2.649 3.916     .  0  0 "[    .    1    .    2]" 1 
       452 1 42 VAL HB  1 43 LYS H   . . 4.810 4.252 4.112 4.514     .  0  0 "[    .    1    .    2]" 1 
       453 1 42 VAL H   1 42 VAL HB  . . 3.350 2.984 2.546 3.608 0.258 10  0 "[    .    1    .    2]" 1 
       454 1 10 VAL HB  1 11 SER H   . . 3.870 3.565 2.809 4.255 0.385 20  0 "[    .    1    .    2]" 1 
       455 1 10 VAL H   1 10 VAL HB  . . 3.800 3.556 2.793 4.031 0.231  7  0 "[    .    1    .    2]" 1 
       456 1 22 VAL HB  1 27 VAL H   . . 4.810 4.248 2.819 5.727 0.917 20  6 "[  * .  -*1  * .   *+]" 1 
       457 1 22 VAL HB  1 27 VAL QG  . . 4.290 3.011 2.008 3.899     .  0  0 "[    .    1    .    2]" 1 
       458 1 67 LYS H   1 67 LYS QB  . . 3.320 2.637 2.510 2.720     .  0  0 "[    .    1    .    2]" 1 
       459 1 67 LYS QB  1 68 GLU H   . . 3.840 3.720 3.627 3.818     .  0  0 "[    .    1    .    2]" 1 
       460 1 22 VAL HB  1 23 SER H   . . 4.800 3.823 3.123 4.429     .  0  0 "[    .    1    .    2]" 1 
       461 1 80 ARG QB  1 81 VAL H   . . 4.490 3.989 3.826 4.116     .  0  0 "[    .    1    .    2]" 1 
       462 1 19 PRO HB2 1 20 SER H   . . 4.140 3.450 2.896 3.827     .  0  0 "[    .    1    .    2]" 1 
       463 1 78 LYS HB2 1 78 LYS QE  . . 4.680 3.520 2.241 4.069     .  0  0 "[    .    1    .    2]" 1 
       464 1 78 LYS H   1 78 LYS HB3 . . 3.770 3.440 3.119 3.723     .  0  0 "[    .    1    .    2]" 1 
       465 1 46 VAL H   1 46 VAL HB  . . 3.360 3.001 2.623 3.650 0.290 15  0 "[    .    1    .    2]" 1 
       466 1 46 VAL HB  1 47 SER H   . . 4.290 3.684 3.211 4.432 0.142  5  0 "[    .    1    .    2]" 1 
       467 1 39 LYS H   1 55 GLU QB  . . 4.320 2.836 1.934 3.685     .  0  0 "[    .    1    .    2]" 1 
       468 1 27 VAL HB  1 28 GLU H   . . 3.600 3.252 2.441 4.219 0.619  1  2 "[+   .-   1    .    2]" 1 
       469 1 27 VAL H   1 27 VAL HB  . . 3.380 3.097 2.467 3.701 0.321 20  0 "[    .    1    .    2]" 1 
       470 1  7 ARG QB  1  7 ARG HG2 . . 2.760 2.281 2.133 2.528     .  0  0 "[    .    1    .    2]" 1 
       471 1 33 LYS H   1 33 LYS HB2 . . 3.880 3.497 3.233 3.960 0.080  4  0 "[    .    1    .    2]" 1 
       472 1 33 LYS H   1 33 LYS HB3 . . 3.880 2.415 2.091 3.043     .  0  0 "[    .    1    .    2]" 1 
       473 1 38 LEU HG  1 57 GLU QB  . . 4.320 4.097 3.147 4.833 0.513  7  1 "[    . +  1    .    2]" 1 
       474 1 38 LEU QD  1 57 GLU QB  . . 4.480 2.224 1.996 2.761     .  0  0 "[    .    1    .    2]" 1 
       475 1 57 GLU H   1 57 GLU QB  . . 3.810 2.498 2.134 2.752     .  0  0 "[    .    1    .    2]" 1 
       476 1 88 ARG HB2 1 89 GLU H   . . 4.230 4.117 2.349 4.811 0.581  4  1 "[   +.    1    .    2]" 1 
       477 1 88 ARG H   1 88 ARG HB3 . . 4.140 3.289 2.613 3.984     .  0  0 "[    .    1    .    2]" 1 
       478 1  8 GLU QB  1  9 SER H   . . 4.360 3.561 1.815 4.155     .  0  0 "[    .    1    .    2]" 1 
       479 1  8 GLU H   1  8 GLU QB  . . 3.890 3.091 2.471 3.436     .  0  0 "[    .    1    .    2]" 1 
       480 1 33 LYS H   1 33 LYS QD  . . 4.750 4.668 4.509 4.801 0.051  4  0 "[    .    1    .    2]" 1 
       481 1 25 ARG H   1 25 ARG HB2 . . 3.580 2.850 2.465 3.186     .  0  0 "[    .    1    .    2]" 1 
       482 1 25 ARG H   1 25 ARG HB3 . . 3.630 2.616 2.130 3.744 0.114  9  0 "[    .    1    .    2]" 1 
       483 1 28 GLU QB  1 37 ILE MD  . . 4.720 3.476 2.689 4.267     .  0  0 "[    .    1    .    2]" 1 
       484 1 28 GLU H   1 28 GLU QB  . . 3.610 2.227 2.026 2.475     .  0  0 "[    .    1    .    2]" 1 
       485 1 32 ARG H   1 32 ARG HB2 . . 3.950 3.608 2.419 3.912     .  0  0 "[    .    1    .    2]" 1 
       486 1 30 GLU H   1 30 GLU QB  . . 3.640 2.255 2.149 2.331     .  0  0 "[    .    1    .    2]" 1 
       487 1 25 ARG QG  1 28 GLU QB  . . 4.680 4.280 3.383 5.126 0.446 10  0 "[    .    1    .    2]" 1 
       488 1 28 GLU QB  1 32 ARG QG  . . 5.000 4.875 3.861 5.719 0.719  3  2 "[  + .  - 1    .    2]" 1 
       489 1 30 GLU QB  1 32 ARG QG  . . 5.000 5.861 5.579 6.651 1.651  6 20  [*****+******-*******]  1 
       490 1 32 ARG HB3 1 33 LYS H   . . 4.760 4.090 3.440 4.449     .  0  0 "[    .    1    .    2]" 1 
       491 1 60 ARG H   1 60 ARG QB  . . 3.430 2.589 2.265 2.770     .  0  0 "[    .    1    .    2]" 1 
       492 1 60 ARG QB  1 61 ASP H   . . 4.420 3.661 2.869 3.914     .  0  0 "[    .    1    .    2]" 1 
       493 1 59 ALA H   1 60 ARG QB  . . 4.810 4.871 4.332 5.216 0.406 10  0 "[    .    1    .    2]" 1 
       494 1 67 LYS HA  1 67 LYS QD  . . 4.460 3.849 3.722 3.995     .  0  0 "[    .    1    .    2]" 1 
       495 1 29 ASN HA  1 32 ARG HB2 . . 4.710 4.596 2.528 5.399 0.689  9  2 "[    .   +1    .   -2]" 1 
       496 1 29 ASN HA  1 30 GLU QB  . . 5.000 5.289 5.181 5.431 0.431  6  0 "[    .    1    .    2]" 1 
       497 1 78 LYS HA  1 78 LYS QD  . . 4.800 3.300 1.993 4.154     .  0  0 "[    .    1    .    2]" 1 
       498 1 42 VAL H   1 43 LYS QD  . . 5.000 5.215 4.279 5.932 0.932 10 11 "[ ******-*+*   *    2]" 1 
       499 1 44 LYS H   1 44 LYS QD  . . 4.830 2.687 2.004 4.615     .  0  0 "[    .    1    .    2]" 1 
       500 1 72 CYS QB  1 82 GLU QB  . . 4.570 3.756 3.454 4.112     .  0  0 "[    .    1    .    2]" 1 
       501 1 72 CYS H   1 72 CYS QB  . . 3.410 2.559 2.130 2.819     .  0  0 "[    .    1    .    2]" 1 
       502 1 43 LYS H   1 43 LYS QD  . . 4.690 4.004 2.585 4.724 0.034  8  0 "[    .    1    .    2]" 1 
       503 1 43 LYS QD  1 51 PHE QD  . . 4.990 5.197 3.748 5.787 0.797  9  7 "[*  ** **+1-   .    2]" 1 
       504 1 44 LYS QD  1 51 PHE QD  . . 5.000 5.619 4.698 6.247 1.247  2 16 "[*+*** * *****-** * *]" 1 
       505 1 44 LYS QD  1 45 THR HA  . . 4.320 4.499 3.931 5.445 1.125 19  5 "[    .* * 1   -. * +2]" 1 
       506 1 39 LYS QD  1 40 CYS HA  . . 5.000 3.756 3.050 5.557 0.557  2  1 "[ +  .    1    .    2]" 1 
       507 1 42 VAL HA  1 43 LYS QD  . . 5.000 5.081 3.260 5.943 0.943  4 10 "[ * +******-   *    2]" 1 
       508 1 69 LYS HA  1 69 LYS QD  . . 3.820 3.218 2.085 4.234 0.414  4  0 "[    .    1    .    2]" 1 
       509 1 12 ARG HG2 1 13 ILE H   . . 4.980 4.647 3.984 5.144 0.164 11  0 "[    .    1    .    2]" 1 
       510 1 12 ARG H   1 12 ARG HG2 . . 5.010 3.363 2.251 4.704     .  0  0 "[    .    1    .    2]" 1 
       511 1 12 ARG HG3 1 13 ILE H   . . 4.890 4.476 3.551 5.201 0.311  7  0 "[    .    1    .    2]" 1 
       512 1 52 ALA MB  1 54 ILE QG  . . 3.700 3.213 2.638 3.998 0.298  3  0 "[    .    1    .    2]" 1 
       513 1 40 CYS H   1 40 CYS QB  . . 3.850 2.922 2.412 3.286     .  0  0 "[    .    1    .    2]" 1 
       514 1 32 ARG H   1 32 ARG QG  . . 4.650 2.906 2.502 3.374     .  0  0 "[    .    1    .    2]" 1 
       515 1 38 LEU H   1 38 LEU HG  . . 4.670 3.608 2.290 4.583     .  0  0 "[    .    1    .    2]" 1 
       516 1 54 ILE H   1 54 ILE QG  . . 4.510 2.864 2.048 3.731     .  0  0 "[    .    1    .    2]" 1 
       517 1 54 ILE QG  1 55 GLU H   . . 5.000 4.560 4.364 4.747     .  0  0 "[    .    1    .    2]" 1 
       518 1 27 VAL QG  1 54 ILE QG  . . 4.060 2.554 1.811 3.560     .  0  0 "[    .    1    .    2]" 1 
       519 1 37 ILE MD  1 40 CYS QB  . . 3.900 2.921 2.015 3.845     .  0  0 "[    .    1    .    2]" 1 
       520 1 60 ARG QG  1 61 ASP H   . . 4.800 2.975 2.222 4.208     .  0  0 "[    .    1    .    2]" 1 
       521 1 80 ARG QG  1 81 VAL H   . . 4.340 3.898 3.500 4.121     .  0  0 "[    .    1    .    2]" 1 
       522 1 80 ARG QB  1 80 ARG QG  . . 2.460 2.011 1.999 2.034     .  0  0 "[    .    1    .    2]" 1 
       523 1 80 ARG H   1 80 ARG QG  . . 3.970 3.857 3.493 4.196 0.226 10  0 "[    .    1    .    2]" 1 
       524 1 88 ARG H   1 88 ARG QG  . . 4.630 4.087 3.046 4.464     .  0  0 "[    .    1    .    2]" 1 
       525 1 60 ARG H   1 60 ARG QG  . . 3.590 3.176 1.789 4.142 0.552  7  1 "[    . +  1    .    2]" 1 
       526 1 25 ARG QG  1 26 ASP H   . . 4.200 3.967 3.562 4.695 0.495  9  0 "[    .    1    .    2]" 1 
       527 1 25 ARG H   1 25 ARG QG  . . 4.000 3.819 2.581 4.190 0.190  8  0 "[    .    1    .    2]" 1 
       528 1 18 LEU QD  1 52 ALA H   . . 5.240 3.665 3.059 4.567     .  0  0 "[    .    1    .    2]" 1 
       529 1 18 LEU H   1 18 LEU QD  . . 5.050 2.122 1.710 3.683     .  0  0 "[    .    1    .    2]" 1 
       530 1 13 ILE H   1 13 ILE QG  . . 4.710 3.124 2.560 3.761     .  0  0 "[    .    1    .    2]" 1 
       531 1 44 LYS H   1 44 LYS QG  . . 4.600 3.773 3.391 4.409     .  0  0 "[    .    1    .    2]" 1 
       532 1 43 LYS QG  1 44 LYS QE  . . 4.130 5.364 4.657 6.272 2.142 17 20  [*-**************+***]  1 
       533 1 43 LYS QG  1 53 PHE QB  . . 5.000 3.806 2.864 4.292     .  0  0 "[    .    1    .    2]" 1 
       534 1 39 LYS QE  1 43 LYS QG  . . 5.000 5.865 5.689 6.071 1.071 12 20  [***-*******+********]  1 
       535 1 43 LYS H   1 43 LYS QG  . . 4.160 2.867 2.399 3.392     .  0  0 "[    .    1    .    2]" 1 
       536 1 27 VAL QG  1 28 GLU H   . . 4.530 2.721 2.004 3.445     .  0  0 "[    .    1    .    2]" 1 
       537 1 27 VAL QG  1 28 GLU QB  . . 5.000 3.851 3.214 4.590     .  0  0 "[    .    1    .    2]" 1 
       538 1 22 VAL QG  1 27 VAL QG  . . 4.270 2.097 1.689 2.567     .  0  0 "[    .    1    .    2]" 1 
       539 1 27 VAL H   1 27 VAL QG  . . 3.420 2.050 1.747 2.399     .  0  0 "[    .    1    .    2]" 1 
       540 1 69 LYS H   1 69 LYS QG  . . 4.740 2.704 2.264 3.225     .  0  0 "[    .    1    .    2]" 1 
       541 1 43 LYS H   1 52 ALA MB  . . 4.920 4.593 4.111 5.388 0.468  4  0 "[    .    1    .    2]" 1 
       542 1 42 VAL H   1 52 ALA MB  . . 4.430 5.393 5.030 6.125 1.695  4 20  [***+********-*******]  1 
       543 1 41 ASP H   1 52 ALA MB  . . 5.000 4.986 4.408 5.669 0.669  4  2 "[   +.   -1    .    2]" 1 
       544 1 52 ALA MB  1 53 PHE H   . . 3.670 2.782 2.519 2.942     .  0  0 "[    .    1    .    2]" 1 
       545 1 51 PHE HA  1 52 ALA MB  . . 4.820 4.067 3.958 4.198     .  0  0 "[    .    1    .    2]" 1 
       546 1 42 VAL HA  1 52 ALA MB  . . 3.760 3.528 3.204 4.233 0.473  4  0 "[    .    1    .    2]" 1 
       547 1 52 ALA MB  1 53 PHE QB  . . 5.010 4.421 4.272 4.593     .  0  0 "[    .    1    .    2]" 1 
       548 1 42 VAL QG  1 52 ALA MB  . . 3.330 2.782 2.130 3.194     .  0  0 "[    .    1    .    2]" 1 
       549 1 18 LEU QD  1 52 ALA MB  . . 3.660 3.177 2.704 3.819 0.159  3  0 "[    .    1    .    2]" 1 
       550 1 52 ALA MB  1 54 ILE H   . . 5.080 4.963 4.577 5.387 0.307  1  0 "[    .    1    .    2]" 1 
       551 1 51 PHE H   1 52 ALA MB  . . 5.000 4.940 4.731 5.200 0.200  4  0 "[    .    1    .    2]" 1 
       552 1 33 LYS QG  1 34 TYR H   . . 4.870 2.895 2.302 3.963     .  0  0 "[    .    1    .    2]" 1 
       553 1 33 LYS QG  1 34 TYR QE  . . 5.070 3.287 2.699 3.928     .  0  0 "[    .    1    .    2]" 1 
       554 1 33 LYS QG  1 62 ALA MB  . . 4.500 6.351 5.366 7.303 2.803 15 20  [**-***********+*****]  1 
       555 1 33 LYS H   1 33 LYS QG  . . 4.170 3.368 2.487 3.969     .  0  0 "[    .    1    .    2]" 1 
       556 1 15 VAL QG  1 16 GLY H   . . 4.290 3.190 2.639 3.759     .  0  0 "[    .    1    .    2]" 1 
       557 1 42 VAL QG  1 43 LYS H   . . 3.730 2.967 2.627 3.356     .  0  0 "[    .    1    .    2]" 1 
       558 1 80 ARG HA  1 81 VAL QG  . . 4.810 3.862 3.327 4.173     .  0  0 "[    .    1    .    2]" 1 
       559 1 15 VAL QG  1 16 GLY HA2 . . 4.280 3.746 3.409 4.338 0.058 10  0 "[    .    1    .    2]" 1 
       560 1 41 ASP HA  1 42 VAL QG  . . 5.100 3.583 3.287 4.022     .  0  0 "[    .    1    .    2]" 1 
       561 1 24 SER H   1 42 VAL QG  . . 4.870 3.038 2.271 4.234     .  0  0 "[    .    1    .    2]" 1 
       562 1 42 VAL H   1 42 VAL QG  . . 3.810 2.537 2.155 3.105     .  0  0 "[    .    1    .    2]" 1 
       563 1 23 SER HA  1 42 VAL QG  . . 4.850 3.340 2.425 4.708     .  0  0 "[    .    1    .    2]" 1 
       564 1 27 VAL QG  1 31 PHE QE  . . 4.600 3.001 2.054 4.062     .  0  0 "[    .    1    .    2]" 1 
       565 1 27 VAL QG  1 54 ILE MD  . . 3.810 2.602 1.981 3.147     .  0  0 "[    .    1    .    2]" 1 
       566 1 45 THR MG  1 51 PHE H   . . 4.790 5.499 5.188 5.646 0.856  7 18 "[******+-******** * *]" 1 
       567 1 44 LYS HA  1 45 THR MG  . . 4.660 4.221 3.801 4.565     .  0  0 "[    .    1    .    2]" 1 
       568 1 45 THR MG  1 49 ALA H   . . 4.770 2.490 2.124 3.058     .  0  0 "[    .    1    .    2]" 1 
       569 1 80 ARG QG  1 81 VAL QG  . . 4.530 4.437 4.189 5.022 0.492 10  0 "[    .    1    .    2]" 1 
       570 1 80 ARG QD  1 81 VAL QG  . . 4.360 4.300 3.848 4.990 0.630  7  1 "[    . +  1    .    2]" 1 
       571 1 81 VAL H   1 81 VAL QG  . . 4.040 2.697 2.080 3.137     .  0  0 "[    .    1    .    2]" 1 
       572 1 38 LEU HA  1 38 LEU QD  . . 3.750 2.522 2.171 3.282     .  0  0 "[    .    1    .    2]" 1 
       573 1 45 THR H   1 45 THR MG  . . 3.420 2.308 2.065 2.634     .  0  0 "[    .    1    .    2]" 1 
       574 1 45 THR HA  1 45 THR MG  . . 3.200 3.248 3.228 3.276 0.076 11  0 "[    .    1    .    2]" 1 
       575 1 45 THR MG  1 47 SER H   . . 5.000 1.873 1.720 2.102     .  0  0 "[    .    1    .    2]" 1 
       576 1 45 THR H   1 50 ALA MB  . . 4.730 4.688 4.357 5.246 0.516 17  1 "[    .    1    . +  2]" 1 
       577 1 50 ALA MB  1 51 PHE H   . . 3.550 2.843 2.613 3.048     .  0  0 "[    .    1    .    2]" 1 
       578 1 50 ALA H   1 50 ALA MB  . . 3.400 2.474 2.338 2.604     .  0  0 "[    .    1    .    2]" 1 
       579 1 44 LYS HA  1 50 ALA MB  . . 3.890 3.789 3.422 4.473 0.583 17  1 "[    .    1    . +  2]" 1 
       580 1 49 ALA HA  1 50 ALA MB  . . 4.320 3.991 3.826 4.184     .  0  0 "[    .    1    .    2]" 1 
       581 1 44 LYS QE  1 50 ALA MB  . . 4.850 4.259 2.093 5.072 0.222 12  0 "[    .    1    .    2]" 1 
       582 1 42 VAL QG  1 50 ALA MB  . . 4.050 3.371 2.869 3.692     .  0  0 "[    .    1    .    2]" 1 
       583 1 18 LEU QD  1 50 ALA MB  . . 4.220 3.048 2.238 4.605 0.385 10  0 "[    .    1    .    2]" 1 
       584 1 22 VAL QG  1 27 VAL H   . . 5.000 3.605 2.474 4.502     .  0  0 "[    .    1    .    2]" 1 
       585 1 42 VAL QG  1 43 LYS HA  . . 5.000 3.836 3.513 4.139     .  0  0 "[    .    1    .    2]" 1 
       586 1 46 VAL MG2 1 47 SER H   . . 4.440 3.747 2.827 3.988     .  0  0 "[    .    1    .    2]" 1 
       587 1 18 LEU H   1 49 ALA MB  . . 4.690 5.068 4.206 5.490 0.800  3 11 "[**+ ****-**   .*   2]" 1 
       588 1 49 ALA MB  1 50 ALA HA  . . 5.290 4.237 4.078 4.360     .  0  0 "[    .    1    .    2]" 1 
       589 1 10 VAL QG  1 11 SER H   . . 4.720 3.190 2.469 3.653     .  0  0 "[    .    1    .    2]" 1 
       590 1 17 ASN H   1 49 ALA MB  . . 5.260 2.999 2.763 3.241     .  0  0 "[    .    1    .    2]" 1 
       591 1 49 ALA MB  1 50 ALA H   . . 3.430 2.929 2.558 3.074     .  0  0 "[    .    1    .    2]" 1 
       592 1 49 ALA H   1 49 ALA MB  . . 3.240 2.307 2.208 2.348     .  0  0 "[    .    1    .    2]" 1 
       593 1 17 ASN HA  1 49 ALA MB  . . 3.920 3.044 2.291 3.418     .  0  0 "[    .    1    .    2]" 1 
       594 1 48 GLY H   1 49 ALA MB  . . 5.120 4.472 4.209 4.724     .  0  0 "[    .    1    .    2]" 1 
       595 1 45 THR MG  1 49 ALA MB  . . 2.780 2.308 2.102 2.711     .  0  0 "[    .    1    .    2]" 1 
       596 1  9 SER HA  1 10 VAL QG  . . 5.000 3.417 3.088 3.785     .  0  0 "[    .    1    .    2]" 1 
       597 1 87 ALA MB  1 88 ARG HB2 . . 4.390 4.399 3.729 4.981 0.591  1  3 "[+   .    -    .*   2]" 1 
       598 1 87 ALA MB  1 88 ARG HA  . . 4.820 4.418 3.883 5.187 0.367  9  0 "[    .    1    .    2]" 1 
       599 1 87 ALA H   1 87 ALA MB  . . 3.440 2.821 2.261 2.977     .  0  0 "[    .    1    .    2]" 1 
       600 1 87 ALA MB  1 89 GLU H   . . 4.980 4.470 2.174 5.693 0.713  1  2 "[+   .-   1    .    2]" 1 
       601 1 59 ALA MB  1 88 ARG H   . . 5.090 3.807 2.359 5.796 0.706 18  2 "[    . -  1    .  + 2]" 1 
       602 1 59 ALA MB  1 60 ARG HA  . . 4.170 3.692 3.510 3.881     .  0  0 "[    .    1    .    2]" 1 
       603 1 59 ALA MB  1 88 ARG QG  . . 3.850 3.101 1.855 4.081 0.231  1  0 "[    .    1    .    2]" 1 
       604 1 59 ALA MB  1 60 ARG H   . . 4.040 2.889 2.524 3.342     .  0  0 "[    .    1    .    2]" 1 
       605 1 59 ALA H   1 59 ALA MB  . . 3.210 2.253 2.065 2.390     .  0  0 "[    .    1    .    2]" 1 
       606 1 59 ALA MB  1 88 ARG HA  . . 5.090 3.257 2.055 5.479 0.389  7  0 "[    .    1    .    2]" 1 
       607 1 59 ALA MB  1 88 ARG HB3 . . 4.010 3.914 2.781 4.694 0.684  8  5 "[ *  .  + -**  .    2]" 1 
       608 1 65 ALA MB  1 66 ILE H   . . 3.760 2.742 2.391 3.087     .  0  0 "[    .    1    .    2]" 1 
       609 1 65 ALA H   1 65 ALA MB  . . 3.170 2.325 2.176 2.448     .  0  0 "[    .    1    .    2]" 1 
       610 1 65 ALA MB  1 66 ILE HA  . . 5.260 3.791 3.592 3.991     .  0  0 "[    .    1    .    2]" 1 
       611 1 62 ALA HA  1 65 ALA MB  . . 3.660 3.444 3.024 3.875 0.215 10  0 "[    .    1    .    2]" 1 
       612 1 62 ALA MB  1 65 ALA MB  . . 4.210 3.610 3.146 4.082     .  0  0 "[    .    1    .    2]" 1 
       613 1 65 ALA MB  1 66 ILE MG  . . 4.330 4.728 4.235 5.354 1.024  9  8 "[*** .** +*-   .    2]" 1 
       614 1 65 ALA MB  1 66 ILE MD  . . 5.000 5.444 4.336 5.766 0.766  5 10 "[ *  +*** **   * - *2]" 1 
       615 1 13 ILE H   1 13 ILE MG  . . 4.220 3.868 3.698 4.041     .  0  0 "[    .    1    .    2]" 1 
       616 1 13 ILE HA  1 13 ILE MG  . . 3.710 2.581 2.372 2.938     .  0  0 "[    .    1    .    2]" 1 
       617 1 66 ILE MG  1 82 GLU HA  . . 4.940 4.641 4.050 5.047 0.107  4  0 "[    .    1    .    2]" 1 
       618 1 13 ILE MG  1 14 TYR H   . . 4.400 2.496 2.313 2.709     .  0  0 "[    .    1    .    2]" 1 
       619 1 13 ILE MG  1 85 PHE QE  . . 4.440 4.498 4.069 4.955 0.515 17  1 "[    .    1    . +  2]" 1 
       620 1 62 ALA MB  1 65 ALA H   . . 5.120 4.450 4.063 4.742     .  0  0 "[    .    1    .    2]" 1 
       621 1 62 ALA MB  1 63 ALA H   . . 3.650 2.968 2.786 3.179     .  0  0 "[    .    1    .    2]" 1 
       622 1 34 TYR H   1 62 ALA MB  . . 5.000 5.033 3.582 5.811 0.811 15  5 "[    .  - 1    +*  **]" 1 
       623 1 62 ALA H   1 62 ALA MB  . . 3.320 2.200 2.082 2.276     .  0  0 "[    .    1    .    2]" 1 
       624 1 59 ALA HA  1 62 ALA MB  . . 3.570 3.171 2.757 3.815 0.245  3  0 "[    .    1    .    2]" 1 
       625 1 62 ALA MB  1 63 ALA HA  . . 5.000 4.105 3.735 4.572     .  0  0 "[    .    1    .    2]" 1 
       626 1 13 ILE MG  1 54 ILE HB  . . 4.860 4.099 3.766 4.661     .  0  0 "[    .    1    .    2]" 1 
       627 1 22 VAL QG  1 54 ILE QG  . . 4.580 4.531 4.006 5.205 0.625 15  1 "[    .    1    +    2]" 1 
       628 1 18 LEU HB2 1 22 VAL QG  . . 5.000 4.369 2.509 5.297 0.297 14  0 "[    .    1    .    2]" 1 
       629 1 22 VAL QG  1 23 SER HA  . . 5.070 4.243 3.771 4.508     .  0  0 "[    .    1    .    2]" 1 
       630 1 63 ALA MB  1 64 ASP H   . . 3.510 2.856 2.672 2.995     .  0  0 "[    .    1    .    2]" 1 
       631 1 63 ALA H   1 63 ALA MB  . . 3.110 2.256 2.205 2.319     .  0  0 "[    .    1    .    2]" 1 
       632 1 60 ARG HA  1 63 ALA MB  . . 3.500 2.787 2.263 3.379     .  0  0 "[    .    1    .    2]" 1 
       633 1 63 ALA MB  1 65 ALA H   . . 4.720 4.886 4.664 5.163 0.443  3  0 "[    .    1    .    2]" 1 
       634 1 63 ALA MB  1 67 LYS H   . . 5.000 4.318 4.037 4.542     .  0  0 "[    .    1    .    2]" 1 
       635 1 63 ALA MB  1 64 ASP HA  . . 5.020 4.154 3.848 4.342     .  0  0 "[    .    1    .    2]" 1 
       636 1 60 ARG QG  1 63 ALA MB  . . 3.920 4.531 3.258 4.863 0.943 14 18 "[****** ******+*** -*]" 1 
       637 1 37 ILE MD  1 54 ILE HA  . . 5.050 5.294 4.601 5.938 0.888  5  8 "[*** +  ***-   .    2]" 1 
       638 1 37 ILE MD  1 38 LEU HA  . . 5.210 3.487 3.180 3.880     .  0  0 "[    .    1    .    2]" 1 
       639 1 37 ILE MD  1 38 LEU H   . . 4.030 3.631 3.224 3.951     .  0  0 "[    .    1    .    2]" 1 
       640 1 37 ILE MD  1 40 CYS H   . . 4.450 3.286 2.194 4.032     .  0  0 "[    .    1    .    2]" 1 
       641 1 37 ILE MD  1 55 GLU H   . . 5.000 4.811 4.025 5.642 0.642  8  1 "[    .  + 1    .    2]" 1 
       642 1 28 GLU H   1 37 ILE MD  . . 5.000 5.042 4.487 5.709 0.709 15  3 "[  * -    1    +    2]" 1 
       643 1 37 ILE H   1 37 ILE MD  . . 4.590 3.992 3.725 4.261     .  0  0 "[    .    1    .    2]" 1 
       644 1 37 ILE MD  1 39 LYS H   . . 3.670 3.230 2.838 3.589     .  0  0 "[    .    1    .    2]" 1 
       645 1 37 ILE MD  1 39 LYS HA  . . 4.930 3.227 2.364 4.066     .  0  0 "[    .    1    .    2]" 1 
       646 1 37 ILE HA  1 37 ILE MD  . . 3.900 3.729 3.515 3.863     .  0  0 "[    .    1    .    2]" 1 
       647 1 37 ILE MD  1 37 ILE MG  . . 4.000 2.018 1.908 3.214     .  0  0 "[    .    1    .    2]" 1 
       648 1 37 ILE MD  1 38 LEU QD  . . 5.250 4.499 4.134 4.965     .  0  0 "[    .    1    .    2]" 1 
       649 1 66 ILE MD  1 82 GLU HA  . . 4.110 2.631 1.975 4.632 0.522  9  1 "[    .   +1    .    2]" 1 
       650 1 66 ILE HB  1 66 ILE MD  . . 3.290 3.067 2.647 3.280     .  0  0 "[    .    1    .    2]" 1 
       651 1 66 ILE MD  1 67 LYS HA  . . 4.230 4.509 3.604 5.394 1.164  6  9 "[****.+*-*1*   .    2]" 1 
       652 1 66 ILE MD  1 70 ASP QB  . . 5.000 3.618 2.708 4.236     .  0  0 "[    .    1    .    2]" 1 
       653 1 66 ILE MD  1 67 LYS QB  . . 5.000 5.249 4.457 6.094 1.094  9  8 "[****.*- +1*   .    2]" 1 
       654 1 66 ILE MD  1 81 VAL QG  . . 2.990 2.414 1.866 3.338 0.348  8  0 "[    .    1    .    2]" 1 
       655 1 66 ILE MD  1 81 VAL H   . . 5.180 5.153 4.499 5.792 0.612  9  1 "[    .   +1    .    2]" 1 
       656 1 66 ILE MD  1 83 VAL H   . . 4.830 2.683 1.888 4.588     .  0  0 "[    .    1    .    2]" 1 
       657 1 13 ILE H   1 13 ILE MD  . . 4.840 3.956 2.548 4.513     .  0  0 "[    .    1    .    2]" 1 
       658 1 13 ILE MD  1 31 PHE QD  . . 4.810 3.523 2.615 4.285     .  0  0 "[    .    1    .    2]" 1 
       659 1 13 ILE MD  1 85 PHE QE  . . 3.940 2.961 1.948 3.554     .  0  0 "[    .    1    .    2]" 1 
       660 1 13 ILE MD  1 85 PHE QD  . . 5.000 4.423 3.025 5.298 0.298  3  0 "[    .    1    .    2]" 1 
       661 1 13 ILE MD  1 31 PHE QE  . . 3.730 3.048 1.981 4.437 0.707  8  3 "[    *  + 1    -    2]" 1 
       662 1 13 ILE HB  1 13 ILE MD  . . 3.750 2.527 2.225 2.932     .  0  0 "[    .    1    .    2]" 1 
       663 1 13 ILE MD  1 13 ILE MG  . . 3.530 2.214 1.866 3.146     .  0  0 "[    .    1    .    2]" 1 
       664 1 54 ILE H   1 54 ILE MD  . . 4.770 3.052 2.170 3.977     .  0  0 "[    .    1    .    2]" 1 
       665 1 54 ILE MD  1 55 GLU H   . . 5.000 5.243 4.893 5.538 0.538  5  3 "[    +  - 1*   .    2]" 1 
       666 1 31 PHE QD  1 54 ILE MD  . . 4.440 3.413 2.635 4.070     .  0  0 "[    .    1    .    2]" 1 
       667 1 54 ILE MD  1 85 PHE QE  . . 5.250 5.749 4.662 6.504 1.254 17 14 "[  **.** ** ***.-+***]" 1 
       668 1 54 ILE MD  1 85 PHE QD  . . 5.000 6.974 5.940 7.685 2.685 17 20  [*-**************+***]  1 
       669 1 31 PHE QE  1 54 ILE MD  . . 5.450 3.005 2.321 3.477     .  0  0 "[    .    1    .    2]" 1 
       670 1 52 ALA MB  1 54 ILE MD  . . 4.540 3.007 2.196 4.031     .  0  0 "[    .    1    .    2]" 1 
       671 1 22 VAL QG  1 54 ILE MD  . . 3.490 3.887 3.403 4.572 1.082 14  5 "[-  *.  * *   +.    2]" 1 
       672 1 14 TYR QD  1 15 VAL H   . . 3.900 3.858 3.508 4.135 0.235  8  0 "[    .    1    .    2]" 1 
       673 1 14 TYR QD  1 16 GLY HA3 . . 4.160 4.186 3.505 4.626 0.466  7  0 "[    .    1    .    2]" 1 
       674 1 31 PHE HA  1 34 TYR QD  . . 3.120 2.498 1.967 3.112     .  0  0 "[    .    1    .    2]" 1 
       675 1 34 TYR QD  1 65 ALA MB  . . 3.520 2.746 2.049 3.184     .  0  0 "[    .    1    .    2]" 1 
       676 1 51 PHE H   1 51 PHE QE  . . 3.840 4.550 4.315 4.906 1.066 17 18 "[-**** * ********+***]" 1 
       677 1 44 LYS HA  1 51 PHE QE  . . 3.760 3.738 3.272 4.279 0.519  8  3 "[    .* + 1    .   -2]" 1 
       678 1 51 PHE HA  1 51 PHE QE  . . 4.000 4.830 4.640 5.045 1.045 15 20  [**-***********+*****]  1 
       679 1 45 THR MG  1 51 PHE QE  . . 3.410 2.650 1.971 3.001     .  0  0 "[    .    1    .    2]" 1 
       680 1 27 VAL QG  1 31 PHE QD  . . 3.290 2.563 1.941 3.180     .  0  0 "[    .    1    .    2]" 1 
       681 1 31 PHE QD  1 34 TYR QD  . . 3.650 3.917 3.144 4.715 1.065 14  5 "[  **.    1  *+.-   2]" 1 
       682 1 31 PHE QD  1 35 GLY H   . . 5.000 5.069 4.192 6.523 1.523 12  5 "[ *  .   -1 +  . *  *]" 1 
       683 1 31 PHE H   1 31 PHE QD  . . 3.830 2.998 2.459 3.512     .  0  0 "[    .    1    .    2]" 1 
       684 1 31 PHE HA  1 31 PHE QD  . . 3.700 2.926 2.508 3.172     .  0  0 "[    .    1    .    2]" 1 
       685 1 27 VAL HB  1 31 PHE QD  . . 3.670 4.029 2.362 4.824 1.154 12 11 "[ * -***  1 + ***** 2]" 1 
       686 1 30 GLU QG  1 31 PHE QD  . . 5.000 4.328 3.250 5.311 0.311 10  0 "[    .    1    .    2]" 1 
       687 1 74 PHE QD  1 75 GLU HG3 . . 3.630 3.488 2.329 4.609 0.979 14  6 "[*  *. *  1   +.* - 2]" 1 
       688 1 45 THR MG  1 51 PHE QD  . . 4.130 4.278 3.853 4.465 0.335  8  0 "[    .    1    .    2]" 1 
       689 1 43 LYS QG  1 51 PHE QD  . . 5.000 4.897 3.870 5.605 0.605  2  5 "[*+* .    *-   .    2]" 1 
       690 1 13 ILE QG  1 31 PHE QE  . . 3.740 4.377 2.328 5.464 1.724  1 11 "[+* *. * ***** .*   -]" 1 
       691 1 34 TYR H   1 34 TYR QE  . . 4.360 4.674 4.250 5.042 0.682 11  6 "[  *-. *  *+ * .    2]" 1 
       692 1 34 TYR QE  1 65 ALA MB  . . 3.890 3.004 2.156 3.458     .  0  0 "[    .    1    .    2]" 1 
       693 1 14 TYR QE  1 16 GLY H   . . 4.090 4.373 4.025 4.619 0.529  5  2 "[-   +    1    .    2]" 1 
       694 1 31 PHE QE  1 56 PHE QE  . . 4.520 3.853 2.545 4.475     .  0  0 "[    .    1    .    2]" 1 
       695 1 31 PHE HA  1 56 PHE QE  . . 5.500 4.867 4.164 6.222 0.722  6  1 "[    .+   1    .    2]" 1 
       696 1 31 PHE QB  1 56 PHE QE  . . 4.230 3.191 2.311 4.870 0.640  6  1 "[    .+   1    .    2]" 1 
       697 1 56 PHE QD  1 65 ALA MB  . . 4.500 6.069 5.363 7.234 2.734  6 20  [*****+********-*****]  1 
       698 1 56 PHE QE  1 65 ALA MB  . . 4.000 4.925 3.755 6.657 2.657  6 14 "[*** .+* ***** .-** *]" 1 
       699 1 34 TYR QB  1 56 PHE QE  . . 4.740 4.036 2.874 6.023 1.283 13  3 "[    .    1  +*.  - 2]" 1 
       700 1 34 TYR QB  1 56 PHE QD  . . 5.060 4.586 2.988 6.153 1.093 13  2 "[    .    1  +-.    2]" 1 
       701 1 31 PHE QD  1 69 LYS QG  . . 5.480 5.771 4.875 7.000 1.520 17  8 "[ * *.*  *1 * -. +  *]" 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              47
    _Distance_constraint_stats_list.Viol_count                    940
    _Distance_constraint_stats_list.Viol_total                    7894.241
    _Distance_constraint_stats_list.Viol_max                      3.087
    _Distance_constraint_stats_list.Viol_rms                      0.1950
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.4199
    _Distance_constraint_stats_list.Viol_average_violations_only  0.4199
    _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 SER 16.005 0.543  4  8 "[  *+.*   *- **.  * 2]" 
       1 13 ILE 33.315 0.654  3 20  [*-+*****************]  
       1 14 TYR 33.601 0.621  3 20  [**+-****************]  
       1 15 VAL 30.964 0.597  1 20  [+********-**********]  
       1 16 GLY 31.043 0.530  3 11 "[ *+ .***-*  * . ***2]" 
       1 24 SER 16.058 0.644  4 17 "[***+******* *****- 2]" 
       1 25 ARG 17.138 0.678  2 20  [*+**********-*******]  
       1 26 ASP 16.990 0.632  3 18 "[ -+*.***************]" 
       1 27 VAL 16.774 0.601  4 16 "[***+***  **-****** 2]" 
       1 28 GLU 32.243 0.644  4 19 "[***+**-**** ********]" 
       1 29 ASN 40.368 1.356  6 20  [*****+******-*******]  
       1 30 GLU 16.990 0.632  3 18 "[ -+*.***************]" 
       1 31 PHE 16.774 0.601  4 16 "[***+***  **-****** 2]" 
       1 32 ARG 16.185 0.583  9 13 "[*** **-*+1*   **  **]" 
       1 33 LYS 23.230 1.356  6 20  [*****+********-*****]  
       1 38 LEU 15.470 0.608  8 17 "[*** ***+***** - ****]" 
       1 39 LYS 15.230 0.569  5 18 "[****+******* **** -*]" 
       1 41 ASP 17.204 0.651  6 20  [*****+*********-****]  
       1 52 ALA 30.964 0.597  1 20  [+********-**********]  
       1 53 PHE 17.204 0.651  6 20  [*****+*********-****]  
       1 54 ILE 33.315 0.654  3 20  [*-+*****************]  
       1 55 GLU 30.700 0.608  8 20  [*******+**********-*]  
       1 56 PHE 16.005 0.543  4  8 "[  *+.*   *- **.  * 2]" 
       1 62 ALA 17.403 0.689  4 18 "[* *+* **********-***]" 
       1 63 ALA 16.146 0.596 10 17 "[*********+** ** * *-]" 
       1 64 ASP 17.525 0.644  6 20  [*****+*******-******]  
       1 65 ALA 17.627 0.676  4 20  [***+*****-**********]  
       1 66 ILE 17.403 0.689  4 18 "[* *+* **********-***]" 
       1 67 LYS 16.146 0.596 10 17 "[*********+** ** * *-]" 
       1 68 GLU 17.525 0.644  6 20  [*****+*******-******]  
       1 69 LYS 17.627 0.676  4 20  [***+*****-**********]  
       1 73 ASP 26.807 3.087 10 17 "[*********+* **.** **]" 
       1 79 LEU 26.807 3.087 10 17 "[*********+* **.** **]" 
       1 80 ARG 31.043 0.530  3 11 "[ *+ .***-*  * . ***2]" 
       1 82 GLU 33.601 0.621  3 20  [**+-****************]  
    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 41 ASP H 1 53 PHE O . . 1.800 2.071 1.997 2.143 0.343 11  0 "[    .    1    .    2]" 2 
        2 1 41 ASP N 1 53 PHE O . . 2.400 2.989 2.967 3.051 0.651  6 20  [*****+*********-****]  2 
        3 1 39 LYS O 1 55 GLU H . . 1.800 2.023 1.980 2.074 0.274 11  0 "[    .    1    .    2]" 2 
        4 1 39 LYS O 1 55 GLU N . . 2.400 2.939 2.881 2.969 0.569  5 18 "[****+******* **** -*]" 2 
        5 1 38 LEU H 1 55 GLU O . . 1.800 2.029 1.937 2.097 0.297  3  0 "[    .    1    .    2]" 2 
        6 1 38 LEU N 1 55 GLU O . . 2.400 2.945 2.884 3.008 0.608  8 17 "[*** ***+***** - ****]" 2 
        7 1 15 VAL H 1 52 ALA O . . 1.800 2.047 2.012 2.099 0.299  4  0 "[    .    1    .    2]" 2 
        8 1 15 VAL N 1 52 ALA O . . 2.400 2.963 2.886 2.997 0.597  1 19 "[+** **-*************]" 2 
        9 1 15 VAL O 1 52 ALA H . . 1.800 2.025 1.963 2.059 0.259  7  0 "[    .    1    .    2]" 2 
       10 1 15 VAL O 1 52 ALA N . . 2.400 2.913 2.850 2.951 0.551  6 14 "[*****+***-** *.  * 2]" 2 
       11 1 13 ILE O 1 54 ILE H . . 1.800 2.097 2.035 2.163 0.363  2  0 "[    .    1    .    2]" 2 
       12 1 13 ILE O 1 54 ILE N . . 2.400 3.007 2.967 3.054 0.654  3 20  [-*+*****************]  2 
       13 1 13 ILE H 1 54 ILE O . . 1.800 2.094 2.048 2.147 0.347  3  0 "[    .    1    .    2]" 2 
       14 1 13 ILE N 1 54 ILE O . . 2.400 2.868 2.826 2.911 0.511 17  2 "[ -  .    1    . +  2]" 2 
       15 1 14 TYR O 1 82 GLU H . . 1.800 2.042 2.009 2.101 0.301  4  0 "[    .    1    .    2]" 2 
       16 1 14 TYR O 1 82 GLU N . . 2.400 2.977 2.944 3.007 0.607 10 20  [*********+***-******]  2 
       17 1 14 TYR H 1 82 GLU O . . 1.800 2.084 2.044 2.118 0.318  7  0 "[    .    1    .    2]" 2 
       18 1 14 TYR N 1 82 GLU O . . 2.400 2.978 2.932 3.021 0.621  3 20  [**+-****************]  2 
       19 1 16 GLY H 1 80 ARG O . . 1.800 2.091 1.978 2.184 0.384  5  0 "[    .    1    .    2]" 2 
       20 1 16 GLY N 1 80 ARG O . . 2.400 2.859 2.813 2.901 0.501  9  1 "[    .   +1    .    2]" 2 
       21 1 16 GLY O 1 80 ARG H . . 1.800 2.102 2.037 2.140 0.340 19  0 "[    .    1    .    2]" 2 
       22 1 16 GLY O 1 80 ARG N . . 2.400 2.901 2.869 2.930 0.530  3 11 "[ *+ .*****  * . **-2]" 2 
       23 1 24 SER O 1 28 GLU H . . 1.800 2.056 2.014 2.102 0.302 17  0 "[    .    1    .    2]" 2 
       24 1 24 SER O 1 28 GLU N . . 2.400 2.947 2.880 3.044 0.644  4 17 "[***+******* *****- 2]" 2 
       25 1 25 ARG O 1 29 ASN H . . 1.800 2.061 2.017 2.120 0.320  2  0 "[    .    1    .    2]" 2 
       26 1 25 ARG O 1 29 ASN N . . 2.400 2.996 2.922 3.078 0.678  2 20  [*+**********-*******]  2 
       27 1 26 ASP O 1 30 GLU H . . 1.800 2.103 2.004 2.239 0.439  2  0 "[    .    1    .    2]" 2 
       28 1 26 ASP O 1 30 GLU N . . 2.400 2.946 2.883 3.032 0.632  3 18 "[ -+*.***************]" 2 
       29 1 27 VAL O 1 31 PHE H . . 1.800 2.104 2.026 2.221 0.421  2  0 "[    .    1    .    2]" 2 
       30 1 27 VAL O 1 31 PHE N . . 2.400 2.935 2.881 3.001 0.601  4 16 "[***+***  **-****** 2]" 2 
       31 1 28 GLU O 1 32 ARG H . . 1.800 2.092 2.000 2.153 0.353  8  0 "[    .    1    .    2]" 2 
       32 1 28 GLU O 1 32 ARG N . . 2.400 2.917 2.858 2.983 0.583  9 13 "[*** **-*+1*   **  **]" 2 
       33 1 29 ASN O 1 33 LYS H . . 1.800 2.218 2.115 2.775 0.975  6  3 "[    .+ *-1    .    2]" 2 
       34 1 29 ASN O 1 33 LYS N . . 2.400 3.143 2.983 3.756 1.356  6 20  [*****+********-*****]  2 
       35 1 62 ALA O 1 66 ILE H . . 1.800 2.080 1.987 2.166 0.366  7  0 "[    .    1    .    2]" 2 
       36 1 62 ALA O 1 66 ILE N . . 2.400 2.990 2.898 3.089 0.689  4 18 "[* *+* **********-***]" 2 
       37 1 63 ALA O 1 67 LYS H . . 1.800 2.072 2.047 2.139 0.339  8  0 "[    .    1    .    2]" 2 
       38 1 63 ALA O 1 67 LYS N . . 2.400 2.935 2.858 2.996 0.596 10 17 "[*********+** ** * *-]" 2 
       39 1 64 ASP O 1 68 GLU H . . 1.800 2.114 2.067 2.154 0.354 10  0 "[    .    1    .    2]" 2 
       40 1 64 ASP O 1 68 GLU N . . 2.400 2.963 2.904 3.044 0.644  6 20  [*****+*******-******]  2 
       41 1 65 ALA O 1 69 LYS H . . 1.800 2.104 2.057 2.156 0.356 17  0 "[    .    1    .    2]" 2 
       42 1 65 ALA O 1 69 LYS N . . 2.400 2.977 2.917 3.076 0.676  4 20  [***+*****-**********]  2 
       43 1 11 SER O 1 56 PHE H . . 1.800 2.098 2.053 2.143 0.343  4  0 "[    .    1    .    2]" 2 
       44 1 11 SER O 1 56 PHE N . . 2.400 2.903 2.878 2.943 0.543  4  8 "[  *+.*   *- **.  * 2]" 2 
       45 1 73 ASP H 1 79 LEU O . . 1.800 2.076 1.993 2.319 0.519 11  2 "[    .    -+   .    2]" 2 
       46 1 73 ASP N 1 79 LEU O . . 2.400 2.909 2.859 2.955 0.555  8 15 "[*******+*1  -*.** **]" 2 
       47 1 73 ASP O 1 79 LEU H . . 1.800 2.355 2.049 4.887 3.087 10  2 "[    .    +-   .    2]" 2 
    stop_

save_



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