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
437999 2k42 16824 cing 4-filtered-FRED Wattos check violation distance


data_2k42


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              1473
    _Distance_constraint_stats_list.Viol_count                    2494
    _Distance_constraint_stats_list.Viol_total                    6798.265
    _Distance_constraint_stats_list.Viol_max                      0.912
    _Distance_constraint_stats_list.Viol_rms                      0.0587
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0115
    _Distance_constraint_stats_list.Viol_average_violations_only  0.1363
    _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  4 SER  1.859 0.237  6  0 "[    .    1    .    2]" 
       1  5 GLY  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  6 PHE  1.520 0.266  3  0 "[    .    1    .    2]" 
       1  7 LYS  1.367 0.173  4  0 "[    .    1    .    2]" 
       1  8 HIS  3.777 0.250 19  0 "[    .    1    .    2]" 
       1  9 VAL 11.392 0.758 10  9 "[ ** .* -*+    * ** 2]" 
       1 10 SER  5.225 0.912 20  2 "[-   .    1    .    +]" 
       1 11 HIS  7.649 0.388 19  0 "[    .    1    .    2]" 
       1 12 VAL 11.708 0.912 20  2 "[-   .    1    .    +]" 
       1 13 GLY  0.839 0.149 17  0 "[    .    1    .    2]" 
       1 14 TRP  6.696 0.571 16  2 "[    .    1  - .+   2]" 
       1 15 ASP  6.671 0.633  5  3 "[    +-   1    *    2]" 
       1 16 PRO  5.613 0.633  5  3 "[    +-   1    *    2]" 
       1 17 GLN  4.095 0.165 18  0 "[    .    1    .    2]" 
       1 18 ASN  3.418 0.563  9  4 "[  * .  -+*    .    2]" 
       1 19 GLY  5.038 0.571 16  2 "[    .    1  - .+   2]" 
       1 20 PHE  3.184 0.174  2  0 "[    .    1    .    2]" 
       1 21 ASP  0.849 0.293 20  0 "[    .    1    .    2]" 
       1 22 VAL  4.834 0.287 16  0 "[    .    1    .    2]" 
       1 23 ASN  1.242 0.487  7  0 "[    .    1    .    2]" 
       1 24 ASN  2.655 0.487  7  0 "[    .    1    .    2]" 
       1 25 LEU  8.193 0.392 13  0 "[    .    1    .    2]" 
       1 26 ASP  1.040 0.178  1  0 "[    .    1    .    2]" 
       1 27 PRO  1.449 0.567 10  1 "[    .    +    .    2]" 
       1 28 ASP  5.893 0.345  9  0 "[    .    1    .    2]" 
       1 29 LEU  6.144 0.280  1  0 "[    .    1    .    2]" 
       1 30 ARG 12.121 0.888 15 12 "[   *.  ***** *+***-2]" 
       1 31 SER  7.044 0.408 20  0 "[    .    1    .    2]" 
       1 32 LEU 21.067 0.606 20  3 "[-   .*   1    .    +]" 
       1 33 PHE  6.779 0.321  7  0 "[    .    1    .    2]" 
       1 34 SER  0.756 0.078  7  0 "[    .    1    .    2]" 
       1 35 ARG 10.594 0.485  5  0 "[    .    1    .    2]" 
       1 36 ALA  2.612 0.169 14  0 "[    .    1    .    2]" 
       1 37 GLY  0.878 0.136  1  0 "[    .    1    .    2]" 
       1 38 ILE  6.141 0.384  5  0 "[    .    1    .    2]" 
       1 39 SER  6.887 0.570 12  1 "[    .    1 +  .    2]" 
       1 40 GLU  1.034 0.122 15  0 "[    .    1    .    2]" 
       1 41 ALA  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 42 GLN 10.035 0.638  4  3 "[   +.    1 -  .    *]" 
       1 43 LEU  5.094 0.392 13  0 "[    .    1    .    2]" 
       1 44 THR  7.520 0.859 12  7 "[ *  .    **+**. -  2]" 
       1 45 ASP 12.366 0.859 12  7 "[ *  .    **+**. -  2]" 
       1 46 ALA  1.159 0.140 16  0 "[    .    1    .    2]" 
       1 47 GLU  1.597 0.824 12  1 "[    .    1 +  .    2]" 
       1 48 THR 11.979 0.638  4  1 "[   +.    1    .    2]" 
       1 49 SER  2.394 0.510 17  1 "[    .    1    . +  2]" 
       1 50 LYS  5.966 0.533 19  1 "[    .    1    .   +2]" 
       1 51 LEU 10.931 0.673  3  4 "[ *+ .    1  - .    *]" 
       1 52 ILE  7.214 0.233 13  0 "[    .    1    .    2]" 
       1 53 TYR  2.393 0.238 11  0 "[    .    1    .    2]" 
       1 54 ASP  0.691 0.099 17  0 "[    .    1    .    2]" 
       1 55 PHE 24.723 0.878  2 11 "[ +* * -* 1** ***   *]" 
       1 56 ILE  8.308 0.280  1  0 "[    .    1    .    2]" 
       1 57 GLU  3.617 0.368  5  0 "[    .    1    .    2]" 
       1 58 ASP  7.096 0.428  2  0 "[    .    1    .    2]" 
       1 59 GLN  3.957 0.715 16  2 "[-   .    1    .+   2]" 
       1 60 GLY  0.121 0.061 11  0 "[    .    1    .    2]" 
       1 61 GLY  1.212 0.153 14  0 "[    .    1    .    2]" 
       1 62 LEU  7.524 0.280  1  0 "[    .    1    .    2]" 
       1 63 GLU  9.052 0.853 19  3 "[    .    1* - .   +2]" 
       1 64 ALA  1.226 0.853 19  1 "[    .    1    .   +2]" 
       1 65 VAL  3.586 0.312 11  0 "[    .    1    .    2]" 
       1 66 ARG  8.896 0.613 11  2 "[    .    1+ - .    2]" 
       1 67 GLN  9.339 0.712 19  5 "[*  *.   -1    . * +2]" 
       1 68 GLU 13.947 0.784  6  6 "[*   .+  *- ** .    2]" 
       1 69 MET 14.199 0.472  8  0 "[    .    1    .    2]" 
       1 70 ARG  8.298 0.808 12  8 "[* **.* *-1 +  .*   2]" 
       1 71 ARG 12.334 0.783 19  9 "[  * *- * 1 *  .** +*]" 
       1 72 GLN  3.276 0.225  5  0 "[    .    1    .    2]" 
       2  2 HIS  2.699 0.184 15  0 "[    .    1    .    2]" 
       2  3 MET  0.937 0.227 11  0 "[    .    1    .    2]" 
       2  4 LEU  5.342 0.280 11  0 "[    .    1    .    2]" 
       2  5 PRO  4.788 0.321  7  0 "[    .    1    .    2]" 
       2  6 ASP  4.542 0.321  7  0 "[    .    1    .    2]" 
       2  7 VAL 31.595 0.784  6  7 "[-   .+  ** ** .    *]" 
       2  8 ALA 11.326 0.397  7  0 "[    .    1    .    2]" 
       2  9 GLN  2.330 0.199  7  0 "[    .    1    .    2]" 
       2 10 ARG 14.268 0.878  2 10 "[ +* * -* 1** **    *]" 
       2 11 LEU 13.404 0.715 16  1 "[    .    1    .+   2]" 
       2 12 MET  3.256 0.285  9  0 "[    .    1    .    2]" 
       2 13 GLN  3.946 0.531  5  1 "[    +    1    .    2]" 
       2 14 HIS  4.792 0.531  5  1 "[    +    1    .    2]" 
       2 15 LEU  4.383 0.445 20  0 "[    .    1    .    2]" 
       2 16 ALA  1.993 0.130  2  0 "[    .    1    .    2]" 
       2 17 GLU  3.011 0.531  5  1 "[    +    1    .    2]" 
       2 18 HIS  2.846 0.228  5  0 "[    .    1    .    2]" 
       2 19 GLY  1.330 0.824 12  1 "[    .    1 +  .    2]" 
       2 20 ILE 18.582 0.673  3  4 "[ *+ .    1  - .    *]" 
       2 21 GLN  8.229 0.824 12  1 "[    .    1 +  .    2]" 
       2 22 PRO  5.820 0.391 13  0 "[    .    1    .    2]" 
       2 23 ALA  4.287 0.570 12  1 "[    .    1 +  .    2]" 
       2 24 ARG  6.225 0.330 14  0 "[    .    1    .    2]" 
       2 25 ASN  3.002 0.412 18  0 "[    .    1    .    2]" 
       2 26 MET  0.375 0.179 20  0 "[    .    1    .    2]" 
       2 27 ALA  0.375 0.179 20  0 "[    .    1    .    2]" 
       2 28 GLU  0.243 0.200  9  0 "[    .    1    .    2]" 
       2 29 HIS  3.650 0.248  5  0 "[    .    1    .    2]" 
       2 30 ILE  0.518 0.185  3  0 "[    .    1    .    2]" 
       2 31 PRO  0.105 0.075  4  0 "[    .    1    .    2]" 
       2 32 PRO  0.412 0.095  6  0 "[    .    1    .    2]" 
       2 33 ALA  3.332 0.567 16  2 "[    .    1    .+  -2]" 
       2 34 PRO  3.336 0.567 16  2 "[    .    1    .+  -2]" 
       2 35 ASN  0.288 0.067 16  0 "[    .    1    .    2]" 
       2 36 TRP  0.001 0.001  7  0 "[    .    1    .    2]" 
    stop_

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

          1 1  4 SER HA   1  4 SER HB2  2.193 .  2.794 2.751 2.469  3.031 0.237  6  0 "[    .    1    .    2]" 1 
          2 1  5 GLY H    1  5 GLY HA3  2.603 .  3.450 2.263 2.042  2.578     .  0  0 "[    .    1    .    2]" 1 
          3 1  5 GLY HA2  1  6 PHE H    3.160 .  4.408 2.881 2.137  3.558     .  0  0 "[    .    1    .    2]" 1 
          4 1  5 GLY HA2  1  6 PHE HD1  7.405 . 14.259 6.009 3.335  7.235     .  0  0 "[    .    1    .    2]" 1 
          5 1  5 GLY HA2  1  6 PHE QD   4.366 .  6.748 5.157 3.329  6.612     .  0  0 "[    .    1    .    2]" 1 
          6 1  6 PHE H    1  6 PHE HB3  3.253 .  4.576 3.039 2.371  3.734     .  0  0 "[    .    1    .    2]" 1 
          7 1  6 PHE HA   1  6 PHE HB2  2.174 .  2.765 2.692 2.423  3.031 0.266  3  0 "[    .    1    .    2]" 1 
          8 1  6 PHE HA   1  6 PHE HB3  2.424 .  3.159 2.734 2.295  3.029     .  0  0 "[    .    1    .    2]" 1 
          9 1  6 PHE HA   1  7 LYS H    2.800 .  3.780 2.463 2.108  3.523     .  0  0 "[    .    1    .    2]" 1 
         10 1  6 PHE HB2  1  6 PHE QD   3.787 .  5.580 2.447 2.281  2.672     .  0  0 "[    .    1    .    2]" 1 
         11 1  6 PHE HB2  1  6 PHE QE   4.184 .  6.372 4.418 4.370  4.479     .  0  0 "[    .    1    .    2]" 1 
         12 1  6 PHE HB3  1  6 PHE QE   4.559 .  7.157 4.408 4.371  4.492     .  0  0 "[    .    1    .    2]" 1 
         13 1  6 PHE QD   1  7 LYS HA   5.107 .  8.367 5.239 4.200  6.205     .  0  0 "[    .    1    .    2]" 1 
         14 1  6 PHE QD   1  7 LYS QG   4.896 .  7.893 5.504 3.242  6.472     .  0  0 "[    .    1    .    2]" 1 
         15 1  6 PHE HD2  1  9 VAL QG   6.295 . 11.249 4.362 2.290  7.730     .  0  0 "[    .    1    .    2]" 1 
         16 1  6 PHE HD2  1 10 SER QB   7.498 . 14.526 8.765 2.961 12.335     .  0  0 "[    .    1    .    2]" 1 
         17 1  6 PHE HD2  1 11 HIS HA   7.055 . 13.277 9.714 5.413 12.422     .  0  0 "[    .    1    .    2]" 1 
         18 1  6 PHE QE   1  9 VAL QG   4.471 .  6.970 3.653 1.957  6.759 0.015  5  0 "[    .    1    .    2]" 1 
         19 1  6 PHE QE   1 14 TRP HE3  5.365 .  8.963 7.782 4.292  8.981 0.018 17  0 "[    .    1    .    2]" 1 
         20 1  7 LYS H    1  7 LYS HB3  3.482 .  4.998 3.309 2.504  3.785     .  0  0 "[    .    1    .    2]" 1 
         21 1  7 LYS HA   1  7 LYS HB2  2.234 .  2.858 2.705 2.421  3.031 0.173  4  0 "[    .    1    .    2]" 1 
         22 1  7 LYS HA   1  7 LYS QB   2.232 .  2.855 2.312 2.154  2.439     .  0  0 "[    .    1    .    2]" 1 
         23 1  7 LYS HA   1  7 LYS QD   3.386 .  4.819 3.534 1.898  4.517 0.055  5  0 "[    .    1    .    2]" 1 
         24 1  7 LYS HA   1  7 LYS QG   2.621 .  3.480 2.855 2.308  3.366     .  0  0 "[    .    1    .    2]" 1 
         25 1  7 LYS HA   1  8 HIS HD2  5.278 .  8.760 6.180 4.182  6.963     .  0  0 "[    .    1    .    2]" 1 
         26 1  7 LYS HD2  1  7 LYS HE2  2.468 .  3.229 2.159 2.024  2.296     .  0  0 "[    .    1    .    2]" 1 
         27 1  7 LYS QD   1  7 LYS HE2  2.513 .  3.302 2.316 2.172  2.415     .  0  0 "[    .    1    .    2]" 1 
         28 1  7 LYS QE   1  7 LYS HG2  2.600 .  3.445 2.414 2.253  2.854     .  0  0 "[    .    1    .    2]" 1 
         29 1  8 HIS H    1 62 LEU H    3.601 .  5.222 5.002 4.220  5.371 0.149 14  0 "[    .    1    .    2]" 1 
         30 1  8 HIS HA   1  8 HIS HB2  1.857 .  2.288 2.135 2.036  2.332 0.044  4  0 "[    .    1    .    2]" 1 
         31 1  8 HIS HA   1  8 HIS HB3  1.784 .  2.182 2.183 2.013  2.351 0.169  7  0 "[    .    1    .    2]" 1 
         32 1  8 HIS HA   1  9 VAL H    2.127 .  2.692 2.442 2.195  2.750 0.058 18  0 "[    .    1    .    2]" 1 
         33 1  8 HIS HB3  1  9 VAL H    3.405 .  4.854 4.187 2.318  4.667     .  0  0 "[    .    1    .    2]" 1 
         34 1  8 HIS HD2  1  9 VAL HA   5.025 .  8.181 5.294 3.359  7.800     .  0  0 "[    .    1    .    2]" 1 
         35 1  8 HIS HD2  1 10 SER HB2  4.570 .  7.180 6.580 4.922  7.325 0.145  8  0 "[    .    1    .    2]" 1 
         36 1  8 HIS HD2  1 10 SER QB   4.338 .  6.691 5.941 4.404  6.839 0.148 12  0 "[    .    1    .    2]" 1 
         37 1  8 HIS HD2  1 12 VAL QG   2.914 .  3.976 3.404 2.098  4.075 0.099  3  0 "[    .    1    .    2]" 1 
         38 1  8 HIS HD2  1 56 ILE MG   3.276 .  4.618 4.468 3.798  4.783 0.165  4  0 "[    .    1    .    2]" 1 
         39 1  8 HIS HE1  1  9 VAL QG   4.337 .  6.688 5.578 3.702  6.689 0.001  1  0 "[    .    1    .    2]" 1 
         40 1  8 HIS HE1  1 10 SER QB   5.381 .  9.001 8.110 4.626  9.251 0.250 19  0 "[    .    1    .    2]" 1 
         41 1  9 VAL H    1  9 VAL HA   2.977 .  4.085 2.822 2.264  2.951     .  0  0 "[    .    1    .    2]" 1 
         42 1  9 VAL H    1  9 VAL HB   2.669 .  3.559 3.296 2.539  3.749 0.190  9  0 "[    .    1    .    2]" 1 
         43 1  9 VAL H    1  9 VAL MG1  2.560 .  3.379 2.975 1.908  4.137 0.758 10  3 "[    .* - +    .    2]" 1 
         44 1  9 VAL H    1 12 VAL H    3.277 .  4.619 4.703 3.959  4.882 0.263 19  0 "[    .    1    .    2]" 1 
         45 1  9 VAL HA   1  9 VAL HB   2.364 .  3.062 2.650 2.434  3.034     .  0  0 "[    .    1    .    2]" 1 
         46 1  9 VAL HA   1  9 VAL MG2  2.017 .  2.525 2.627 2.280  3.218 0.693 17  6 "[ ** .   -1    * +* 2]" 1 
         47 1  9 VAL HA   1 11 HIS HE1  5.932 . 10.331 6.179 5.043  7.449     .  0  0 "[    .    1    .    2]" 1 
         48 1  9 VAL HA   1 53 TYR QE   4.422 .  6.866 5.844 3.485  6.831     .  0  0 "[    .    1    .    2]" 1 
         49 1  9 VAL HB   1  9 VAL QG   1.861 .  2.294 1.895 1.892  1.900     .  0  0 "[    .    1    .    2]" 1 
         50 1  9 VAL QG   1 10 SER H    3.330 .  4.716 2.831 2.096  3.749     .  0  0 "[    .    1    .    2]" 1 
         51 1  9 VAL QG   1 11 HIS HE1  3.853 .  5.709 5.183 3.477  5.850 0.141 13  0 "[    .    1    .    2]" 1 
         52 1  9 VAL MG1  1 12 VAL H    4.709 .  7.481 3.443 2.301  4.360     .  0  0 "[    .    1    .    2]" 1 
         53 1 10 SER HB2  1 12 VAL MG1  2.832 .  3.835 4.008 3.541  4.747 0.912 20  2 "[-   .    1    .    +]" 1 
         54 1 10 SER QB   1 20 PHE QD   5.262 .  8.724 7.954 7.105  8.787 0.063 17  0 "[    .    1    .    2]" 1 
         55 1 10 SER QB   1 53 TYR QD   4.691 .  7.441 6.167 4.433  7.267     .  0  0 "[    .    1    .    2]" 1 
         56 1 11 HIS HA   1 11 HIS HB2  2.092 .  2.639 2.946 2.464  3.027 0.388 19  0 "[    .    1    .    2]" 1 
         57 1 11 HIS HA   1 11 HIS HB3  2.323 .  2.997 2.607 2.467  3.028 0.031 17  0 "[    .    1    .    2]" 1 
         58 1 11 HIS HA   1 12 VAL QG   3.280 .  4.625 3.483 3.017  4.042     .  0  0 "[    .    1    .    2]" 1 
         59 1 11 HIS HD2  1 12 VAL QG   2.790 .  3.763 3.710 3.369  3.904 0.141 17  0 "[    .    1    .    2]" 1 
         60 1 11 HIS HD2  1 13 GLY HA2  4.348 .  6.712 5.288 4.661  6.052     .  0  0 "[    .    1    .    2]" 1 
         61 1 11 HIS HD2  1 14 TRP HB2  5.347 .  8.921 6.038 5.535  6.571     .  0  0 "[    .    1    .    2]" 1 
         62 1 11 HIS HD2  1 14 TRP HE3  4.164 .  6.331 4.988 3.126  6.285     .  0  0 "[    .    1    .    2]" 1 
         63 1 11 HIS HD2  1 14 TRP HZ3  4.717 .  7.498 6.071 3.594  7.521 0.023  5  0 "[    .    1    .    2]" 1 
         64 1 11 HIS HD2  1 15 ASP HA   4.370 .  6.757 5.333 3.788  5.859     .  0  0 "[    .    1    .    2]" 1 
         65 1 11 HIS HE1  1 12 VAL QG   4.886 .  7.870 7.455 6.529  7.995 0.125 12  0 "[    .    1    .    2]" 1 
         66 1 12 VAL H    1 12 VAL HA   2.997 .  4.120 2.310 2.207  2.837     .  0  0 "[    .    1    .    2]" 1 
         67 1 12 VAL H    1 12 VAL HB   3.182 .  4.448 3.383 2.593  3.982     .  0  0 "[    .    1    .    2]" 1 
         68 1 12 VAL H    1 12 VAL QG   3.017 .  4.155 2.671 1.807  3.299 0.072 10  0 "[    .    1    .    2]" 1 
         69 1 12 VAL HA   1 12 VAL HB   2.269 .  2.912 2.792 2.372  3.012 0.100 17  0 "[    .    1    .    2]" 1 
         70 1 12 VAL HA   1 12 VAL QG   1.972 .  2.458 2.176 2.092  2.326     .  0  0 "[    .    1    .    2]" 1 
         71 1 12 VAL HA   1 53 TYR QE   4.294 .  6.599 5.238 4.755  6.027     .  0  0 "[    .    1    .    2]" 1 
         72 1 12 VAL HA   1 20 PHE QD   4.628 .  7.306 5.522 2.924  6.532     .  0  0 "[    .    1    .    2]" 1 
         73 1 12 VAL HA   1 20 PHE QE   4.473 .  6.974 5.301 4.728  5.929     .  0  0 "[    .    1    .    2]" 1 
         74 1 12 VAL HA   1 29 LEU QD   2.549 .  3.361 2.784 2.099  3.432 0.071  3  0 "[    .    1    .    2]" 1 
         75 1 12 VAL HB   1 12 VAL QG   1.906 .  2.360 1.891 1.884  1.897     .  0  0 "[    .    1    .    2]" 1 
         76 1 12 VAL HB   1 13 GLY H    3.963 .  5.926 3.245 1.851  4.215 0.149 17  0 "[    .    1    .    2]" 1 
         77 1 12 VAL HB   1 20 PHE QD   4.145 .  6.293 4.719 3.329  6.100     .  0  0 "[    .    1    .    2]" 1 
         78 1 12 VAL HB   1 20 PHE QE   3.399 .  4.843 3.788 2.667  4.885 0.042 19  0 "[    .    1    .    2]" 1 
         79 1 12 VAL HB   1 29 LEU QD   3.038 .  4.191 2.863 1.730  3.695 0.155  7  0 "[    .    1    .    2]" 1 
         80 1 12 VAL QG   1 13 GLY H    3.415 .  4.873 3.145 1.869  3.735 0.088 19  0 "[    .    1    .    2]" 1 
         81 1 12 VAL QG   1 14 TRP H    3.171 .  4.428 3.396 2.553  3.995     .  0  0 "[    .    1    .    2]" 1 
         82 1 12 VAL QG   1 14 TRP HD1  4.353 .  6.721 5.089 3.934  6.380     .  0  0 "[    .    1    .    2]" 1 
         83 1 12 VAL QG   1 20 PHE QD   3.144 .  4.380 3.018 2.584  3.929     .  0  0 "[    .    1    .    2]" 1 
         84 1 12 VAL QG   1 20 PHE QE   2.556 .  3.372 2.216 1.721  3.380 0.061  4  0 "[    .    1    .    2]" 1 
         85 1 12 VAL QG   1 29 LEU QD   2.685 .  3.586 2.122 1.637  2.797 0.147  7  0 "[    .    1    .    2]" 1 
         86 1 12 VAL QG   1 29 LEU QD   2.129 .  2.695 1.518 1.359  1.732 0.204  6  0 "[    .    1    .    2]" 1 
         87 1 12 VAL QG   1 33 PHE QD   3.769 .  5.545 5.016 4.780  5.201     .  0  0 "[    .    1    .    2]" 1 
         88 1 12 VAL QG   1 33 PHE QE   2.982 .  4.093 3.449 3.115  3.670     .  0  0 "[    .    1    .    2]" 1 
         89 1 12 VAL QG   1 33 PHE HZ   3.307 .  4.674 3.717 3.409  3.982     .  0  0 "[    .    1    .    2]" 1 
         90 1 12 VAL QG   1 53 TYR QD   2.572 .  3.399 2.560 1.966  3.317     .  0  0 "[    .    1    .    2]" 1 
         91 1 12 VAL QG   1 56 ILE MD   2.764 .  3.719 2.947 2.295  3.474     .  0  0 "[    .    1    .    2]" 1 
         92 1 12 VAL QG   1 57 GLU H    3.765 .  5.537 4.678 4.432  4.834     .  0  0 "[    .    1    .    2]" 1 
         93 1 12 VAL QG   1 56 ILE MG   2.576 .  3.405 3.335 2.849  3.507 0.102 19  0 "[    .    1    .    2]" 1 
         94 1 12 VAL QG   1 62 LEU H    3.897 .  5.795 4.763 4.155  5.543     .  0  0 "[    .    1    .    2]" 1 
         95 1 12 VAL QG   1 62 LEU HG   3.305 .  4.670 3.075 2.374  4.482     .  0  0 "[    .    1    .    2]" 1 
         96 1 13 GLY H    1 13 GLY HA3  2.487 .  3.260 2.851 2.732  2.954     .  0  0 "[    .    1    .    2]" 1 
         97 1 13 GLY H    1 14 TRP H    2.917 .  3.981 2.229 1.782  2.774 0.071  6  0 "[    .    1    .    2]" 1 
         98 1 13 GLY HA2  1 14 TRP H    2.372 .  3.075 2.930 2.721  3.134 0.059  3  0 "[    .    1    .    2]" 1 
         99 1 13 GLY HA2  1 14 TRP HD1  4.935 .  7.979 5.666 5.111  6.188     .  0  0 "[    .    1    .    2]" 1 
        100 1 13 GLY HA3  1 14 TRP H    2.858 .  3.879 3.460 3.354  3.510     .  0  0 "[    .    1    .    2]" 1 
        101 1 13 GLY HA3  1 20 PHE QD   4.400 .  6.820 4.408 3.569  5.528     .  0  0 "[    .    1    .    2]" 1 
        102 1 14 TRP H    1 14 TRP HB2  2.845 .  3.857 3.073 2.808  3.310     .  0  0 "[    .    1    .    2]" 1 
        103 1 14 TRP H    1 14 TRP HB3  2.846 .  3.859 2.456 2.273  2.582     .  0  0 "[    .    1    .    2]" 1 
        104 1 14 TRP H    1 14 TRP HE3  3.802 .  5.608 4.215 3.930  4.450     .  0  0 "[    .    1    .    2]" 1 
        105 1 14 TRP H    1 15 ASP H    3.948 .  5.897 4.416 4.277  4.503     .  0  0 "[    .    1    .    2]" 1 
        106 1 14 TRP H    1 21 ASP H    3.305 .  4.670 4.193 3.911  4.575     .  0  0 "[    .    1    .    2]" 1 
        107 1 14 TRP HA   1 14 TRP HB3  2.424 .  3.159 3.021 3.008  3.030     .  0  0 "[    .    1    .    2]" 1 
        108 1 14 TRP HA   1 14 TRP HD1  3.568 .  5.160 3.057 2.885  3.217     .  0  0 "[    .    1    .    2]" 1 
        109 1 14 TRP HA   1 14 TRP HE3  3.853 .  5.709 4.800 4.669  4.884     .  0  0 "[    .    1    .    2]" 1 
        110 1 14 TRP HA   1 15 ASP H    2.440 .  3.184 2.159 2.109  2.217     .  0  0 "[    .    1    .    2]" 1 
        111 1 14 TRP HA   1 20 PHE HA   2.241 .  2.869 2.126 1.753  2.586     .  0  0 "[    .    1    .    2]" 1 
        112 1 14 TRP HA   1 20 PHE QD   4.322 .  6.657 3.763 3.360  4.258     .  0  0 "[    .    1    .    2]" 1 
        113 1 14 TRP HA   1 20 PHE QE   5.122 .  8.402 4.847 4.482  5.110     .  0  0 "[    .    1    .    2]" 1 
        114 1 14 TRP HA   1 21 ASP H    2.848 .  3.862 3.270 2.566  3.935 0.073  5  0 "[    .    1    .    2]" 1 
        115 1 14 TRP HB2  1 14 TRP HD1  3.471 .  4.977 2.754 2.702  2.809     .  0  0 "[    .    1    .    2]" 1 
        116 1 14 TRP HB2  1 15 ASP H    3.632 .  5.281 4.067 3.916  4.166     .  0  0 "[    .    1    .    2]" 1 
        117 1 14 TRP HB2  1 20 PHE QD   3.842 .  5.687 2.974 2.321  3.882     .  0  0 "[    .    1    .    2]" 1 
        118 1 14 TRP HB2  1 20 PHE QE   3.905 .  5.811 2.993 2.593  3.694     .  0  0 "[    .    1    .    2]" 1 
        119 1 14 TRP HB3  1 14 TRP HD1  3.215 .  4.507 3.859 3.836  3.879     .  0  0 "[    .    1    .    2]" 1 
        120 1 14 TRP HD1  1 19 GLY HA2  3.056 .  4.223 2.770 2.316  3.329     .  0  0 "[    .    1    .    2]" 1 
        121 1 14 TRP HD1  1 20 PHE HB3  4.437 .  6.898 4.646 4.217  5.290     .  0  0 "[    .    1    .    2]" 1 
        122 1 14 TRP HD1  1 20 PHE QD   3.567 .  5.157 3.081 2.813  3.479     .  0  0 "[    .    1    .    2]" 1 
        123 1 14 TRP HD1  1 20 PHE QE   3.754 .  5.516 3.528 3.218  3.838     .  0  0 "[    .    1    .    2]" 1 
        124 1 14 TRP HD1  1 20 PHE HZ   5.103 .  8.358 4.419 3.894  4.727     .  0  0 "[    .    1    .    2]" 1 
        125 1 14 TRP HD1  1 22 VAL QG   5.651 .  9.643 5.110 4.768  5.386     .  0  0 "[    .    1    .    2]" 1 
        126 1 14 TRP HD1  1 25 LEU QD   6.437 . 11.617 5.248 4.777  5.782     .  0  0 "[    .    1    .    2]" 1 
        127 1 14 TRP HD1  1 43 LEU HB2  4.682 .  7.422 5.187 4.950  5.379     .  0  0 "[    .    1    .    2]" 1 
        128 1 14 TRP HD1  1 43 LEU QD   6.450 . 11.650 4.945 4.435  5.385     .  0  0 "[    .    1    .    2]" 1 
        129 1 14 TRP HD1  1 49 SER HB3  4.342 .  6.699 3.421 2.026  4.575     .  0  0 "[    .    1    .    2]" 1 
        130 1 14 TRP HD1  1 52 ILE MG   6.421 . 11.574 5.652 5.210  6.036     .  0  0 "[    .    1    .    2]" 1 
        131 1 14 TRP HD1  1 53 TYR HB2  4.366 .  6.749 4.154 3.504  4.887     .  0  0 "[    .    1    .    2]" 1 
        132 1 14 TRP HD1  1 53 TYR HB3  4.170 .  6.343 5.320 4.870  5.972     .  0  0 "[    .    1    .    2]" 1 
        133 1 14 TRP HD1  1 53 TYR QE   5.643 .  9.624 6.972 5.865  8.098     .  0  0 "[    .    1    .    2]" 1 
        134 1 14 TRP HE1  1 19 GLY H    4.040 .  6.081 4.204 3.695  4.983     .  0  0 "[    .    1    .    2]" 1 
        135 1 14 TRP HE1  1 19 GLY HA2  2.775 .  3.738 2.610 2.352  2.864     .  0  0 "[    .    1    .    2]" 1 
        136 1 14 TRP HE1  1 19 GLY HA3  2.984 .  4.097 4.252 3.757  4.668 0.571 16  2 "[    .    1  - .+   2]" 1 
        137 1 14 TRP HE1  1 20 PHE QD   5.286 .  8.778 4.558 4.222  5.144     .  0  0 "[    .    1    .    2]" 1 
        138 1 14 TRP HE1  1 49 SER H    4.031 .  6.062 4.107 4.030  4.264     .  0  0 "[    .    1    .    2]" 1 
        139 1 14 TRP HE1  1 49 SER HB3  3.538 .  5.103 3.177 2.360  4.039     .  0  0 "[    .    1    .    2]" 1 
        140 1 14 TRP HE1  1 50 LYS H    3.698 .  5.407 3.180 2.718  3.806     .  0  0 "[    .    1    .    2]" 1 
        141 1 14 TRP HE1  1 50 LYS HA   3.275 .  4.615 2.852 2.310  3.291     .  0  0 "[    .    1    .    2]" 1 
        142 1 14 TRP HE1  1 50 LYS HB3  3.629 .  5.276 4.899 4.424  5.588 0.312 14  0 "[    .    1    .    2]" 1 
        143 1 14 TRP HE3  1 16 PRO HD3  3.124 .  4.344 3.488 3.138  3.780     .  0  0 "[    .    1    .    2]" 1 
        144 1 14 TRP HE3  1 15 ASP HA   3.184 .  4.451 4.324 3.911  4.542 0.091  1  0 "[    .    1    .    2]" 1 
        145 1 14 TRP HE3  1 20 PHE QD   4.067 .  6.135 5.070 4.280  5.575     .  0  0 "[    .    1    .    2]" 1 
        146 1 14 TRP HE3  1 43 LEU QD   4.700 .  7.462 5.957 5.595  6.238     .  0  0 "[    .    1    .    2]" 1 
        147 1 14 TRP HE3  1 50 LYS HG3  3.270 .  4.607 4.199 2.732  4.683 0.076  1  0 "[    .    1    .    2]" 1 
        148 1 14 TRP HH2  1 15 ASP HA   4.910 .  7.924 6.053 5.709  6.403     .  0  0 "[    .    1    .    2]" 1 
        149 1 14 TRP HH2  1 16 PRO HD2  4.798 .  7.676 5.913 5.353  6.211     .  0  0 "[    .    1    .    2]" 1 
        150 1 14 TRP HH2  1 50 LYS HA   3.555 .  5.135 3.991 3.545  4.782     .  0  0 "[    .    1    .    2]" 1 
        151 1 14 TRP HH2  1 50 LYS HD2  3.066 .  4.241 2.749 2.375  3.179     .  0  0 "[    .    1    .    2]" 1 
        152 1 14 TRP HH2  1 50 LYS HE3  3.280 .  4.624 3.964 2.773  5.071 0.447 19  0 "[    .    1    .    2]" 1 
        153 1 14 TRP HH2  1 50 LYS HG2  3.469 .  4.973 4.415 3.979  5.156 0.183  5  0 "[    .    1    .    2]" 1 
        154 1 14 TRP HZ2  1 15 ASP HA   4.077 .  6.155 5.368 5.154  5.600     .  0  0 "[    .    1    .    2]" 1 
        155 1 14 TRP HZ2  1 16 PRO HA   2.647 .  3.523 2.605 2.155  3.538 0.015  8  0 "[    .    1    .    2]" 1 
        156 1 14 TRP HZ2  1 50 LYS HA   2.679 .  3.576 2.238 1.712  3.049 0.070 16  0 "[    .    1    .    2]" 1 
        157 1 14 TRP HZ2  1 50 LYS HD2  2.691 .  3.596 2.307 1.751  2.553 0.035 16  0 "[    .    1    .    2]" 1 
        158 1 14 TRP HZ2  1 50 LYS HG2  3.121 .  4.339 3.836 3.225  4.256     .  0  0 "[    .    1    .    2]" 1 
        159 1 15 ASP H    1 15 ASP HB3  3.208 .  4.495 2.802 2.434  3.722     .  0  0 "[    .    1    .    2]" 1 
        160 1 15 ASP H    1 16 PRO HD2  5.286 .  8.778 4.805 4.637  5.196     .  0  0 "[    .    1    .    2]" 1 
        161 1 15 ASP H    1 16 PRO HD3  4.693 .  7.446 4.655 4.387  4.884     .  0  0 "[    .    1    .    2]" 1 
        162 1 15 ASP H    1 19 GLY H    2.914 .  3.976 3.255 2.896  3.664     .  0  0 "[    .    1    .    2]" 1 
        163 1 15 ASP H    1 19 GLY HA3  4.121 .  6.243 4.490 4.227  4.627     .  0  0 "[    .    1    .    2]" 1 
        164 1 15 ASP H    1 20 PHE HA   3.397 .  4.839 3.430 2.965  3.696     .  0  0 "[    .    1    .    2]" 1 
        165 1 15 ASP HA   1 15 ASP HB2  2.428 .  3.165 2.579 2.390  3.022     .  0  0 "[    .    1    .    2]" 1 
        166 1 15 ASP HA   1 15 ASP HB3  2.308 .  2.974 2.951 2.541  3.037 0.063  4  0 "[    .    1    .    2]" 1 
        167 1 15 ASP HA   1 16 PRO HD2  2.284 .  2.936 2.170 1.881  2.589     .  0  0 "[    .    1    .    2]" 1 
        168 1 15 ASP HA   1 16 PRO HD3  2.172 .  2.762 2.317 1.834  2.623     .  0  0 "[    .    1    .    2]" 1 
        169 1 15 ASP HA   1 16 PRO QG   2.925 .  3.994 3.840 3.717  4.001 0.007 19  0 "[    .    1    .    2]" 1 
        170 1 15 ASP HB2  1 19 GLY H    3.406 .  4.856 4.307 2.773  4.814     .  0  0 "[    .    1    .    2]" 1 
        171 1 15 ASP HB3  1 16 PRO HD2  2.670 .  3.561 3.705 2.130  4.194 0.633  5  3 "[    +-   1    *    2]" 1 
        172 1 15 ASP HB3  1 16 PRO HD3  3.559 .  5.142 4.743 3.653  5.144 0.002  1  0 "[    .    1    .    2]" 1 
        173 1 15 ASP HB3  1 17 GLN H    3.372 .  4.793 3.768 2.923  4.549     .  0  0 "[    .    1    .    2]" 1 
        174 1 15 ASP HB3  1 19 GLY H    3.078 .  4.263 2.811 1.798  3.963 0.095  6  0 "[    .    1    .    2]" 1 
        175 1 16 PRO HA   1 16 PRO QG   2.613 .  3.466 3.244 2.781  3.484 0.018  6  0 "[    .    1    .    2]" 1 
        176 1 16 PRO HA   1 17 GLN H    3.475 .  4.984 3.552 3.494  3.595     .  0  0 "[    .    1    .    2]" 1 
        177 1 16 PRO HA   1 18 ASN H    3.970 .  5.940 4.436 4.025  4.677     .  0  0 "[    .    1    .    2]" 1 
        178 1 16 PRO HD2  1 16 PRO QG   2.272 .  2.917 2.196 2.180  2.237     .  0  0 "[    .    1    .    2]" 1 
        179 1 16 PRO HD2  1 17 GLN H    3.386 .  4.819 3.385 2.921  4.041     .  0  0 "[    .    1    .    2]" 1 
        180 1 16 PRO HD3  1 16 PRO QG   2.297 .  2.956 2.224 2.174  2.255     .  0  0 "[    .    1    .    2]" 1 
        181 1 16 PRO HD3  1 17 GLN H    4.524 .  7.082 4.329 4.058  4.840     .  0  0 "[    .    1    .    2]" 1 
        182 1 17 GLN H    1 17 GLN HA   2.802 .  3.783 2.939 2.921  2.947     .  0  0 "[    .    1    .    2]" 1 
        183 1 17 GLN H    1 17 GLN QB   2.427 .  3.163 2.462 2.277  2.589     .  0  0 "[    .    1    .    2]" 1 
        184 1 17 GLN H    1 17 GLN QG   2.947 .  4.033 3.208 2.360  4.102 0.069 18  0 "[    .    1    .    2]" 1 
        185 1 17 GLN H    1 18 ASN H    2.350 .  3.040 2.183 2.076  2.307     .  0  0 "[    .    1    .    2]" 1 
        186 1 17 GLN H    1 18 ASN HA   4.321 .  6.655 4.846 4.727  4.977     .  0  0 "[    .    1    .    2]" 1 
        187 1 17 GLN HA   1 17 GLN QB   1.807 .  2.215 2.334 2.299  2.380 0.165 18  0 "[    .    1    .    2]" 1 
        188 1 17 GLN HA   1 17 GLN QG   2.234 .  2.858 2.566 2.296  2.987 0.129 19  0 "[    .    1    .    2]" 1 
        189 1 17 GLN HA   1 18 ASN H    3.188 .  4.458 3.487 3.270  3.593     .  0  0 "[    .    1    .    2]" 1 
        190 1 17 GLN HA   1 46 ALA MB   2.430 .  3.168 3.198 2.946  3.295 0.127  6  0 "[    .    1    .    2]" 1 
        191 1 17 GLN QB   1 18 ASN H    2.724 .  3.652 2.791 2.428  3.449     .  0  0 "[    .    1    .    2]" 1 
        192 1 17 GLN QB   1 18 ASN HD21 4.167 .  6.338 4.555 2.763  6.459 0.121  3  0 "[    .    1    .    2]" 1 
        193 1 17 GLN QB   1 19 GLY H    3.907 .  5.815 4.708 4.364  5.334     .  0  0 "[    .    1    .    2]" 1 
        194 1 17 GLN HE21 1 46 ALA MB   4.402 .  6.824 4.666 2.238  5.448     .  0  0 "[    .    1    .    2]" 1 
        195 1 17 GLN QG   1 18 ASN HD21 5.486 .  9.248 5.768 3.910  7.807     .  0  0 "[    .    1    .    2]" 1 
        196 1 18 ASN H    1 18 ASN HB2  2.770 .  3.729 2.531 2.316  3.698     .  0  0 "[    .    1    .    2]" 1 
        197 1 18 ASN H    1 18 ASN HB3  3.060 .  4.231 3.372 2.399  3.706     .  0  0 "[    .    1    .    2]" 1 
        198 1 18 ASN H    1 18 ASN HD21 4.442 .  6.909 3.676 2.229  4.916     .  0  0 "[    .    1    .    2]" 1 
        199 1 18 ASN H    1 18 ASN HD22 4.250 .  6.508 4.622 3.673  5.828     .  0  0 "[    .    1    .    2]" 1 
        200 1 18 ASN H    1 19 GLY H    2.479 .  3.247 2.390 1.985  2.953     .  0  0 "[    .    1    .    2]" 1 
        201 1 18 ASN HA   1 18 ASN HB2  2.354 .  3.047 2.872 2.411  3.021     .  0  0 "[    .    1    .    2]" 1 
        202 1 18 ASN HA   1 18 ASN HB3  1.975 .  2.463 2.617 2.461  3.026 0.563  9  4 "[  * .  -+*    .    2]" 1 
        203 1 18 ASN HA   1 19 GLY H    2.991 .  4.109 3.409 3.168  3.533     .  0  0 "[    .    1    .    2]" 1 
        204 1 18 ASN HB2  1 18 ASN HD21 3.214 .  4.505 2.753 2.211  3.509     .  0  0 "[    .    1    .    2]" 1 
        205 1 18 ASN HB3  1 18 ASN HD22 3.070 .  4.248 3.827 3.457  4.076     .  0  0 "[    .    1    .    2]" 1 
        206 1 19 GLY H    1 19 GLY HA2  2.623 .  3.483 2.357 2.295  2.714     .  0  0 "[    .    1    .    2]" 1 
        207 1 19 GLY H    1 19 GLY HA3  2.455 .  3.208 2.900 2.848  2.944     .  0  0 "[    .    1    .    2]" 1 
        208 1 19 GLY H    1 20 PHE H    3.208 .  4.495 4.535 4.274  4.587 0.092  2  0 "[    .    1    .    2]" 1 
        209 1 19 GLY H    1 46 ALA MB   3.437 .  4.914 4.304 4.073  4.567     .  0  0 "[    .    1    .    2]" 1 
        210 1 19 GLY HA2  1 20 PHE H    2.565 .  3.387 2.818 2.684  3.134     .  0  0 "[    .    1    .    2]" 1 
        211 1 19 GLY HA3  1 20 PHE H    2.879 .  3.915 2.298 2.104  2.387     .  0  0 "[    .    1    .    2]" 1 
        212 1 19 GLY HA3  1 20 PHE QD   5.467 .  9.204 4.255 3.543  4.836     .  0  0 "[    .    1    .    2]" 1 
        213 1 20 PHE H    1 20 PHE HB2  2.514 .  3.304 2.378 2.270  2.451     .  0  0 "[    .    1    .    2]" 1 
        214 1 20 PHE H    1 20 PHE QD   3.208 .  4.495 2.473 2.104  2.861     .  0  0 "[    .    1    .    2]" 1 
        215 1 20 PHE H    1 21 ASP H    4.042 .  6.084 4.546 4.467  4.614     .  0  0 "[    .    1    .    2]" 1 
        216 1 20 PHE H    1 44 THR MG   3.209 .  4.496 3.788 2.896  4.464     .  0  0 "[    .    1    .    2]" 1 
        217 1 20 PHE H    1 49 SER HB3  3.921 .  5.843 3.106 2.412  4.339     .  0  0 "[    .    1    .    2]" 1 
        218 1 20 PHE HA   1 20 PHE QB   2.389 .  3.102 2.414 2.387  2.459     .  0  0 "[    .    1    .    2]" 1 
        219 1 20 PHE HA   1 20 PHE HB3  2.478 .  3.246 2.539 2.499  2.609     .  0  0 "[    .    1    .    2]" 1 
        220 1 20 PHE HA   1 20 PHE QD   2.876 .  3.910 2.925 2.714  3.131     .  0  0 "[    .    1    .    2]" 1 
        221 1 20 PHE HA   1 21 ASP H    2.207 .  2.816 2.193 2.143  2.297     .  0  0 "[    .    1    .    2]" 1 
        222 1 20 PHE HB2  1 43 LEU H    4.316 .  6.644 5.061 4.599  5.783     .  0  0 "[    .    1    .    2]" 1 
        223 1 20 PHE HB3  1 21 ASP H    2.405 .  3.128 2.400 2.160  2.644     .  0  0 "[    .    1    .    2]" 1 
        224 1 20 PHE QD   1 22 VAL HA   4.313 .  6.639 5.284 5.107  5.474     .  0  0 "[    .    1    .    2]" 1 
        225 1 20 PHE QD   1 25 LEU HA   4.702 .  7.466 4.989 4.390  5.468     .  0  0 "[    .    1    .    2]" 1 
        226 1 20 PHE QD   1 25 LEU QD   2.705 .  3.620 2.987 2.556  3.294     .  0  0 "[    .    1    .    2]" 1 
        227 1 20 PHE QD   1 29 LEU QD   2.660 .  3.544 3.415 2.738  3.587 0.043 17  0 "[    .    1    .    2]" 1 
        228 1 20 PHE QD   1 30 ARG HA   5.621 .  9.570 5.934 5.654  6.219     .  0  0 "[    .    1    .    2]" 1 
        229 1 20 PHE QD   1 33 PHE QD   4.766 .  7.605 4.808 4.405  5.119     .  0  0 "[    .    1    .    2]" 1 
        230 1 20 PHE QD   1 33 PHE QE   3.714 .  5.438 3.572 3.090  4.106     .  0  0 "[    .    1    .    2]" 1 
        231 1 20 PHE QD   1 33 PHE HZ   4.222 .  6.450 4.508 4.178  4.881     .  0  0 "[    .    1    .    2]" 1 
        232 1 20 PHE QD   1 38 ILE MG   2.969 .  4.071 2.395 1.745  2.941 0.122  9  0 "[    .    1    .    2]" 1 
        233 1 20 PHE QD   1 40 GLU HA   4.015 .  6.030 5.605 5.286  5.809     .  0  0 "[    .    1    .    2]" 1 
        234 1 20 PHE QD   1 43 LEU HA   2.734 .  3.668 3.083 2.575  3.695 0.027 11  0 "[    .    1    .    2]" 1 
        235 1 20 PHE QD   1 43 LEU HB2  2.894 .  3.941 3.767 3.532  3.989 0.048  2  0 "[    .    1    .    2]" 1 
        236 1 20 PHE QD   1 43 LEU HB3  2.888 .  3.930 3.366 2.657  4.104 0.174  2  0 "[    .    1    .    2]" 1 
        237 1 20 PHE QD   1 43 LEU QD   2.689 .  3.593 2.404 1.746  2.960 0.039  9  0 "[    .    1    .    2]" 1 
        238 1 20 PHE QD   1 49 SER H    4.709 .  7.481 4.321 4.089  4.587     .  0  0 "[    .    1    .    2]" 1 
        239 1 20 PHE QD   1 49 SER HA   2.800 .  3.780 3.070 2.399  3.466     .  0  0 "[    .    1    .    2]" 1 
        240 1 20 PHE QD   1 49 SER HB3  3.740 .  5.489 2.997 2.133  4.698     .  0  0 "[    .    1    .    2]" 1 
        241 1 20 PHE QD   1 52 ILE MD   3.546 .  5.117 3.247 2.798  3.690     .  0  0 "[    .    1    .    2]" 1 
        242 1 20 PHE QD   1 52 ILE HG12 3.747 .  5.502 5.215 5.042  5.382     .  0  0 "[    .    1    .    2]" 1 
        243 1 20 PHE QD   1 52 ILE MG   3.288 .  4.639 3.997 3.845  4.315     .  0  0 "[    .    1    .    2]" 1 
        244 1 20 PHE QD   1 53 TYR QE   5.158 .  8.484 6.587 5.260  7.665     .  0  0 "[    .    1    .    2]" 1 
        245 1 20 PHE QD   2 11 LEU QD   4.138 .  6.278 5.815 5.605  5.916     .  0  0 "[    .    1    .    2]" 1 
        246 1 20 PHE QE   1 29 LEU QD   2.785 .  3.755 3.159 2.776  3.586     .  0  0 "[    .    1    .    2]" 1 
        247 1 20 PHE QE   1 29 LEU QD   3.153 .  4.395 3.123 2.762  3.527     .  0  0 "[    .    1    .    2]" 1 
        248 1 20 PHE QE   1 33 PHE QD   4.403 .  6.827 5.187 4.896  5.511     .  0  0 "[    .    1    .    2]" 1 
        249 1 20 PHE QE   1 33 PHE QE   3.450 .  4.938 3.767 3.219  4.241     .  0  0 "[    .    1    .    2]" 1 
        250 1 20 PHE QE   1 33 PHE HZ   3.380 .  4.808 3.508 2.975  4.095     .  0  0 "[    .    1    .    2]" 1 
        251 1 20 PHE QE   1 38 ILE MG   3.119 .  4.335 3.212 2.864  3.498     .  0  0 "[    .    1    .    2]" 1 
        252 1 20 PHE QE   1 43 LEU HA   3.479 .  4.992 4.591 4.126  4.978     .  0  0 "[    .    1    .    2]" 1 
        253 1 20 PHE QE   1 43 LEU QD   3.150 .  4.391 3.288 2.900  3.617     .  0  0 "[    .    1    .    2]" 1 
        254 1 20 PHE QE   1 49 SER HA   2.718 .  3.641 2.463 1.870  2.920     .  0  0 "[    .    1    .    2]" 1 
        255 1 20 PHE QE   1 50 LYS HA   4.763 .  7.598 5.051 4.554  5.529     .  0  0 "[    .    1    .    2]" 1 
        256 1 20 PHE QE   1 52 ILE MD   2.892 .  3.937 2.729 2.341  3.177     .  0  0 "[    .    1    .    2]" 1 
        257 1 20 PHE QE   1 52 ILE HG12 3.313 .  4.685 4.191 4.043  4.439     .  0  0 "[    .    1    .    2]" 1 
        258 1 20 PHE QE   1 52 ILE MG   2.424 .  3.158 2.659 2.370  2.996     .  0  0 "[    .    1    .    2]" 1 
        259 1 20 PHE QE   1 53 TYR H    3.619 .  5.256 3.139 2.779  3.657     .  0  0 "[    .    1    .    2]" 1 
        260 1 20 PHE QE   1 53 TYR HA   3.369 .  4.788 3.867 3.483  4.221     .  0  0 "[    .    1    .    2]" 1 
        261 1 20 PHE QE   1 53 TYR HB2  3.419 .  4.880 3.466 3.142  3.929     .  0  0 "[    .    1    .    2]" 1 
        262 1 20 PHE QE   1 53 TYR QD   3.313 .  4.685 3.371 2.346  4.290     .  0  0 "[    .    1    .    2]" 1 
        263 1 20 PHE QE   1 55 PHE QD   6.064 . 10.660 6.346 6.090  6.558     .  0  0 "[    .    1    .    2]" 1 
        264 1 20 PHE QE   1 56 ILE MD   2.781 .  3.748 3.008 2.568  3.467     .  0  0 "[    .    1    .    2]" 1 
        265 1 20 PHE QE   2 11 LEU QD   4.547 .  7.132 4.926 4.694  5.054     .  0  0 "[    .    1    .    2]" 1 
        266 1 20 PHE HZ   1 29 LEU QD   3.998 .  5.996 4.293 3.658  4.791     .  0  0 "[    .    1    .    2]" 1 
        267 1 20 PHE HZ   1 33 PHE QE   3.271 .  4.609 4.316 4.084  4.650 0.041 11  0 "[    .    1    .    2]" 1 
        268 1 20 PHE HZ   1 33 PHE HZ   3.196 .  4.473 3.642 3.255  4.104     .  0  0 "[    .    1    .    2]" 1 
        269 1 20 PHE HZ   1 43 LEU QD   4.729 .  7.524 4.567 4.170  4.919     .  0  0 "[    .    1    .    2]" 1 
        270 1 20 PHE HZ   1 49 SER HA   4.195 .  6.395 3.493 2.367  4.955     .  0  0 "[    .    1    .    2]" 1 
        271 1 20 PHE HZ   1 52 ILE MD   3.691 .  5.394 4.434 3.955  4.939     .  0  0 "[    .    1    .    2]" 1 
        272 1 20 PHE HZ   1 52 ILE MG   2.480 .  3.249 2.542 2.124  3.289 0.040  3  0 "[    .    1    .    2]" 1 
        273 1 20 PHE HZ   1 53 TYR H    4.042 .  6.084 3.204 2.915  3.595     .  0  0 "[    .    1    .    2]" 1 
        274 1 20 PHE HZ   1 53 TYR HA   2.728 .  3.658 2.645 2.092  3.063     .  0  0 "[    .    1    .    2]" 1 
        275 1 20 PHE HZ   1 53 TYR QD   3.075 .  4.257 3.315 2.514  4.100     .  0  0 "[    .    1    .    2]" 1 
        276 1 20 PHE HZ   1 56 ILE MD   2.684 .  3.585 2.532 2.233  2.893     .  0  0 "[    .    1    .    2]" 1 
        277 1 20 PHE HZ   2 11 LEU QD   5.099 .  8.349 5.139 4.729  5.383     .  0  0 "[    .    1    .    2]" 1 
        278 1 21 ASP H    1 21 ASP HB3  2.512 .  3.301 2.754 2.438  3.594 0.293 20  0 "[    .    1    .    2]" 1 
        279 1 21 ASP H    1 25 LEU QD   3.531 .  5.089 3.962 3.720  4.515     .  0  0 "[    .    1    .    2]" 1 
        280 1 21 ASP HA   1 21 ASP HB2  2.467 .  3.228 2.592 2.417  3.018     .  0  0 "[    .    1    .    2]" 1 
        281 1 21 ASP HA   1 22 VAL H    2.121 .  2.683 2.172 2.101  2.286     .  0  0 "[    .    1    .    2]" 1 
        282 1 21 ASP HB3  1 22 VAL H    3.516 .  5.061 4.271 3.870  4.400     .  0  0 "[    .    1    .    2]" 1 
        283 1 21 ASP HB3  1 24 ASN H    3.172 .  4.429 3.105 2.518  3.507     .  0  0 "[    .    1    .    2]" 1 
        284 1 22 VAL H    1 22 VAL HA   2.930 .  4.003 2.827 2.770  2.909     .  0  0 "[    .    1    .    2]" 1 
        285 1 22 VAL H    1 22 VAL HB   2.751 .  3.697 3.342 2.500  3.668     .  0  0 "[    .    1    .    2]" 1 
        286 1 22 VAL H    1 22 VAL QG   2.303 .  2.966 1.869 1.772  2.052     .  0  0 "[    .    1    .    2]" 1 
        287 1 22 VAL H    1 23 ASN H    2.378 .  3.085 2.669 2.402  2.866     .  0  0 "[    .    1    .    2]" 1 
        288 1 22 VAL H    1 24 ASN H    3.921 .  5.843 4.259 3.900  4.627     .  0  0 "[    .    1    .    2]" 1 
        289 1 22 VAL H    1 44 THR MG   3.921 .  5.843 3.373 3.067  3.808     .  0  0 "[    .    1    .    2]" 1 
        290 1 22 VAL HA   1 22 VAL HB   1.953 .  2.430 2.478 2.409  2.543 0.113  3  0 "[    .    1    .    2]" 1 
        291 1 22 VAL HA   1 22 VAL QG   2.150 .  2.728 2.254 2.186  2.398     .  0  0 "[    .    1    .    2]" 1 
        292 1 22 VAL HA   1 23 ASN H    3.082 .  4.269 3.407 3.287  3.506     .  0  0 "[    .    1    .    2]" 1 
        293 1 22 VAL HA   1 24 ASN H    3.846 .  5.695 4.085 3.536  4.533     .  0  0 "[    .    1    .    2]" 1 
        294 1 22 VAL HA   1 25 LEU H    3.196 .  4.473 3.627 3.400  3.902     .  0  0 "[    .    1    .    2]" 1 
        295 1 22 VAL HA   1 25 LEU HB2  2.465 .  3.225 3.124 2.151  3.332 0.107  5  0 "[    .    1    .    2]" 1 
        296 1 22 VAL HA   1 25 LEU HB3  3.171 .  4.428 3.891 1.635  4.351 0.279 20  0 "[    .    1    .    2]" 1 
        297 1 22 VAL HA   1 25 LEU QD   2.436 .  3.169 2.015 1.792  2.214     .  0  0 "[    .    1    .    2]" 1 
        298 1 22 VAL HA   1 25 LEU HG   2.505 .  3.289 1.964 1.635  3.576 0.287 16  0 "[    .    1    .    2]" 1 
        299 1 22 VAL HA   1 26 ASP H    4.009 .  6.019 4.483 4.303  4.686     .  0  0 "[    .    1    .    2]" 1 
        300 1 22 VAL HA   1 33 PHE QE   3.696 .  5.403 4.759 4.206  5.043     .  0  0 "[    .    1    .    2]" 1 
        301 1 22 VAL HB   1 22 VAL QG   1.826 .  2.243 1.896 1.889  1.901     .  0  0 "[    .    1    .    2]" 1 
        302 1 22 VAL HB   1 22 VAL QG   1.805 .  2.212 1.685 1.681  1.688     .  0  0 "[    .    1    .    2]" 1 
        303 1 22 VAL HB   1 23 ASN H    3.020 .  4.160 4.107 3.896  4.203 0.043 10  0 "[    .    1    .    2]" 1 
        304 1 22 VAL QG   1 23 ASN H    2.759 .  3.710 2.634 2.365  2.899     .  0  0 "[    .    1    .    2]" 1 
        305 1 22 VAL QG   1 24 ASN H    3.619 .  5.256 3.908 3.633  4.193     .  0  0 "[    .    1    .    2]" 1 
        306 1 22 VAL QG   1 43 LEU H    3.817 .  5.638 4.205 3.738  4.818     .  0  0 "[    .    1    .    2]" 1 
        307 1 22 VAL QG   1 44 THR H    4.480 .  6.989 4.242 3.705  5.020     .  0  0 "[    .    1    .    2]" 1 
        308 1 22 VAL QG   1 40 GLU HA   3.271 .  3.843 2.615 1.811  3.358 0.122 15  0 "[    .    1    .    2]" 1 
        309 1 22 VAL QG   1 40 GLU QB   2.728 .  3.659 2.726 1.801  3.557     .  0  0 "[    .    1    .    2]" 1 
        310 1 22 VAL QG   1 40 GLU HG2  3.051 .  4.215 2.676 1.807  3.688 0.080  8  0 "[    .    1    .    2]" 1 
        311 1 22 VAL QG   1 40 GLU HG3  2.890 .  3.934 2.711 1.740  3.958 0.112  3  0 "[    .    1    .    2]" 1 
        312 1 22 VAL QG   1 43 LEU HB2  3.204 .  4.487 3.072 2.196  4.223     .  0  0 "[    .    1    .    2]" 1 
        313 1 22 VAL QG   1 43 LEU QD   2.351 .  3.042 2.358 1.744  3.005     .  0  0 "[    .    1    .    2]" 1 
        314 1 22 VAL QG   1 44 THR MG   2.171 .  2.760 2.350 1.936  2.798 0.038 10  0 "[    .    1    .    2]" 1 
        315 1 23 ASN H    1 23 ASN HA   2.578 .  3.409 2.897 2.843  2.928     .  0  0 "[    .    1    .    2]" 1 
        316 1 23 ASN H    1 23 ASN QB   2.371 .  3.074 2.474 2.138  2.880     .  0  0 "[    .    1    .    2]" 1 
        317 1 23 ASN H    1 23 ASN QD   4.635 .  4.782 3.700 2.127  4.331     .  0  0 "[    .    1    .    2]" 1 
        318 1 23 ASN H    1 24 ASN H    2.494 .  3.271 2.352 2.159  2.552     .  0  0 "[    .    1    .    2]" 1 
        319 1 23 ASN H    1 24 ASN HA   5.356 .  8.941 5.033 4.863  5.207     .  0  0 "[    .    1    .    2]" 1 
        320 1 23 ASN H    1 25 LEU H    4.067 .  6.135 4.007 3.683  4.431     .  0  0 "[    .    1    .    2]" 1 
        321 1 23 ASN HA   1 23 ASN QB   2.020 .  2.530 2.263 2.165  2.354     .  0  0 "[    .    1    .    2]" 1 
        322 1 23 ASN HA   1 23 ASN QD   5.062 .  8.265 3.285 2.201  3.839     .  0  0 "[    .    1    .    2]" 1 
        323 1 23 ASN HA   1 24 ASN H    3.156 .  4.401 3.450 3.207  3.562     .  0  0 "[    .    1    .    2]" 1 
        324 1 23 ASN HA   1 25 LEU H    3.677 .  5.367 3.864 3.424  4.141     .  0  0 "[    .    1    .    2]" 1 
        325 1 23 ASN QB   1 23 ASN QD   2.935 .  4.012 2.152 2.120  2.188     .  0  0 "[    .    1    .    2]" 1 
        326 1 23 ASN QB   1 24 ASN H    3.112 .  4.323 3.123 2.469  3.917     .  0  0 "[    .    1    .    2]" 1 
        327 1 23 ASN QD   1 24 ASN HD21 3.269 .  4.605 3.009 1.848  3.861 0.085 11  0 "[    .    1    .    2]" 1 
        328 1 23 ASN QD   1 24 ASN HD22 2.870 .  3.899 2.800 1.869  4.386 0.487  7  0 "[    .    1    .    2]" 1 
        329 1 24 ASN H    1 24 ASN HA   2.917 .  3.981 2.944 2.928  2.954     .  0  0 "[    .    1    .    2]" 1 
        330 1 24 ASN H    1 24 ASN HB2  2.594 .  3.435 2.681 2.367  3.765 0.330 11  0 "[    .    1    .    2]" 1 
        331 1 24 ASN H    1 24 ASN HB3  2.754 .  3.702 3.605 3.128  3.747 0.045  8  0 "[    .    1    .    2]" 1 
        332 1 24 ASN H    1 24 ASN HD21 4.289 .  6.588 3.460 2.291  4.827     .  0  0 "[    .    1    .    2]" 1 
        333 1 24 ASN H    1 24 ASN HD22 4.607 .  7.260 4.437 3.208  5.241     .  0  0 "[    .    1    .    2]" 1 
        334 1 24 ASN H    1 25 LEU H    2.453 .  3.205 2.619 2.201  3.117     .  0  0 "[    .    1    .    2]" 1 
        335 1 24 ASN H    1 25 LEU HA   4.855 .  7.802 4.455 4.152  4.794     .  0  0 "[    .    1    .    2]" 1 
        336 1 24 ASN H    1 25 LEU HB2  3.462 .  4.960 4.521 3.962  4.974 0.014  3  0 "[    .    1    .    2]" 1 
        337 1 24 ASN H    1 25 LEU HG   3.933 .  5.866 4.282 3.477  5.962 0.096  1  0 "[    .    1    .    2]" 1 
        338 1 24 ASN H    1 44 THR MG   4.447 .  6.919 6.816 6.385  7.026 0.107  5  0 "[    .    1    .    2]" 1 
        339 1 24 ASN HA   1 24 ASN HB2  2.373 .  3.077 2.940 2.480  3.032     .  0  0 "[    .    1    .    2]" 1 
        340 1 24 ASN HA   1 24 ASN HB3  2.152 .  2.731 2.532 2.373  2.598     .  0  0 "[    .    1    .    2]" 1 
        341 1 24 ASN HA   1 25 LEU H    2.856 .  3.876 2.908 2.607  3.113     .  0  0 "[    .    1    .    2]" 1 
        342 1 24 ASN HB2  1 24 ASN HD21 3.041 .  4.197 2.792 2.196  3.510     .  0  0 "[    .    1    .    2]" 1 
        343 1 24 ASN HB2  1 25 LEU H    3.341 .  4.736 4.143 3.851  4.442     .  0  0 "[    .    1    .    2]" 1 
        344 1 24 ASN HB2  1 25 LEU H    3.379 .  4.806 3.899 3.566  4.201     .  0  0 "[    .    1    .    2]" 1 
        345 1 24 ASN HB3  1 24 ASN HD21 3.211 .  4.500 2.981 2.135  3.506     .  0  0 "[    .    1    .    2]" 1 
        346 1 24 ASN HB3  1 25 LEU H    3.665 .  5.344 4.402 4.288  4.644     .  0  0 "[    .    1    .    2]" 1 
        347 1 25 LEU H    1 25 LEU HA   2.925 .  3.995 2.845 2.816  2.915     .  0  0 "[    .    1    .    2]" 1 
        348 1 25 LEU H    1 25 LEU HB2  2.503 .  3.286 2.372 2.081  3.341 0.055 16  0 "[    .    1    .    2]" 1 
        349 1 25 LEU H    1 25 LEU QD   2.921 .  3.988 3.418 3.306  3.648     .  0  0 "[    .    1    .    2]" 1 
        350 1 25 LEU H    1 25 LEU HG   2.529 .  3.328 3.033 2.724  3.700 0.372  1  0 "[    .    1    .    2]" 1 
        351 1 25 LEU H    1 26 ASP H    4.436 .  6.896 4.502 4.364  4.599     .  0  0 "[    .    1    .    2]" 1 
        352 1 25 LEU HA   1 25 LEU HB2  2.403 .  3.125 2.866 2.225  3.003     .  0  0 "[    .    1    .    2]" 1 
        353 1 25 LEU HA   1 25 LEU HB3  2.379 .  3.086 2.688 2.596  2.935     .  0  0 "[    .    1    .    2]" 1 
        354 1 25 LEU HA   1 25 LEU QD   2.106 .  2.661 1.999 1.801  2.725 0.064 16  0 "[    .    1    .    2]" 1 
        355 1 25 LEU HA   1 26 ASP H    2.361 .  3.058 2.135 2.104  2.217     .  0  0 "[    .    1    .    2]" 1 
        356 1 25 LEU HB2  1 25 LEU QD   2.413 .  2.867 2.222 2.071  2.284     .  0  0 "[    .    1    .    2]" 1 
        357 1 25 LEU HB2  1 25 LEU HG   2.553 .  3.368 2.540 2.440  2.966     .  0  0 "[    .    1    .    2]" 1 
        358 1 25 LEU HB3  1 25 LEU QD   2.122 .  2.685 2.129 2.098  2.239     .  0  0 "[    .    1    .    2]" 1 
        359 1 25 LEU HB3  1 25 LEU HG   2.868 .  3.896 2.941 2.466  3.021     .  0  0 "[    .    1    .    2]" 1 
        360 1 25 LEU HB3  1 26 ASP H    3.090 .  4.284 3.465 2.858  4.462 0.178  1  0 "[    .    1    .    2]" 1 
        361 1 25 LEU QD   1 30 ARG H    2.862 .  3.886 3.049 2.572  3.287     .  0  0 "[    .    1    .    2]" 1 
        362 1 25 LEU QD   1 31 SER H    3.750 .  5.507 4.694 4.242  4.982     .  0  0 "[    .    1    .    2]" 1 
        363 1 25 LEU QD   1 30 ARG HA   2.324 .  2.999 2.669 2.049  3.054 0.055 12  0 "[    .    1    .    2]" 1 
        364 1 25 LEU QD   1 33 PHE QD   2.205 .  2.813 2.610 2.445  2.695     .  0  0 "[    .    1    .    2]" 1 
        365 1 25 LEU QD   1 33 PHE QE   2.210 .  2.821 2.208 1.995  2.377     .  0  0 "[    .    1    .    2]" 1 
        366 1 25 LEU QD   1 43 LEU QD   3.405 .  4.855 1.824 1.588  2.241 0.392 13  0 "[    .    1    .    2]" 1 
        367 1 25 LEU HG   1 26 ASP H    3.609 .  5.237 4.578 3.470  4.935     .  0  0 "[    .    1    .    2]" 1 
        368 1 26 ASP H    1 26 ASP HB2  2.692 .  3.598 2.517 2.105  2.743     .  0  0 "[    .    1    .    2]" 1 
        369 1 26 ASP H    1 26 ASP HB3  2.780 .  3.746 2.577 2.339  3.530     .  0  0 "[    .    1    .    2]" 1 
        370 1 26 ASP H    1 27 PRO HD2  3.942 .  5.884 5.077 4.962  5.136     .  0  0 "[    .    1    .    2]" 1 
        371 1 26 ASP H    1 29 LEU HB2  3.159 .  4.406 3.180 2.604  3.652     .  0  0 "[    .    1    .    2]" 1 
        372 1 26 ASP H    1 29 LEU QD   2.774 .  3.736 2.615 2.190  3.117     .  0  0 "[    .    1    .    2]" 1 
        373 1 26 ASP HA   1 26 ASP HB2  2.353 .  3.045 2.499 2.376  2.989     .  0  0 "[    .    1    .    2]" 1 
        374 1 26 ASP HA   1 26 ASP HB3  2.643 .  3.516 2.997 2.639  3.036     .  0  0 "[    .    1    .    2]" 1 
        375 1 26 ASP HA   1 27 PRO HD2  1.961 .  2.442 2.470 2.448  2.498 0.056  4  0 "[    .    1    .    2]" 1 
        376 1 26 ASP HA   1 27 PRO HD3  2.119 .  2.680 1.944 1.826  2.156     .  0  0 "[    .    1    .    2]" 1 
        377 1 26 ASP HB2  1 29 LEU H    3.689 .  5.390 4.303 3.498  4.513     .  0  0 "[    .    1    .    2]" 1 
        378 1 26 ASP HB2  1 29 LEU QD   2.642 .  3.515 2.733 2.050  3.049     .  0  0 "[    .    1    .    2]" 1 
        379 1 26 ASP HB3  1 28 ASP H    2.344 .  3.031 2.586 2.181  2.806     .  0  0 "[    .    1    .    2]" 1 
        380 1 26 ASP HB3  1 29 LEU QD   2.610 .  3.461 2.112 1.693  3.478 0.066  3  0 "[    .    1    .    2]" 1 
        381 1 27 PRO HA   1 30 ARG H    3.217 .  4.510 3.677 3.321  3.884     .  0  0 "[    .    1    .    2]" 1 
        382 1 27 PRO HA   1 30 ARG HB2  2.633 .  3.499 3.264 2.274  3.570 0.071  4  0 "[    .    1    .    2]" 1 
        383 1 27 PRO HA   1 30 ARG HB3  2.340 .  3.024 2.735 2.325  3.591 0.567 10  1 "[    .    +    .    2]" 1 
        384 1 27 PRO HD2  1 28 ASP H    2.668 .  3.557 3.068 2.832  3.311     .  0  0 "[    .    1    .    2]" 1 
        385 1 27 PRO HD3  1 28 ASP H    2.649 .  3.526 3.283 2.893  3.517     .  0  0 "[    .    1    .    2]" 1 
        386 1 27 PRO HD3  1 29 LEU H    4.195 .  6.395 4.870 4.753  5.000     .  0  0 "[    .    1    .    2]" 1 
        387 1 28 ASP H    1 28 ASP HA   2.742 .  3.682 2.874 2.819  2.913     .  0  0 "[    .    1    .    2]" 1 
        388 1 28 ASP H    1 28 ASP HB3  2.511 .  3.299 3.336 2.448  3.644 0.345  9  0 "[    .    1    .    2]" 1 
        389 1 28 ASP H    1 29 LEU H    2.514 .  3.304 2.546 2.375  2.789     .  0  0 "[    .    1    .    2]" 1 
        390 1 28 ASP H    1 29 LEU QD   3.041 .  4.197 3.644 3.272  4.009     .  0  0 "[    .    1    .    2]" 1 
        391 1 28 ASP H    1 29 LEU HG   2.909 .  3.967 3.921 3.673  4.188 0.221 13  0 "[    .    1    .    2]" 1 
        392 1 28 ASP H    1 66 ARG QD   4.002 .  6.004 4.568 4.120  5.232     .  0  0 "[    .    1    .    2]" 1 
        393 1 28 ASP HA   1 28 ASP HB2  2.359 .  3.054 2.880 2.452  3.031     .  0  0 "[    .    1    .    2]" 1 
        394 1 28 ASP HA   1 28 ASP HB3  2.514 .  3.304 2.627 2.302  3.028     .  0  0 "[    .    1    .    2]" 1 
        395 1 28 ASP HA   1 29 LEU H    3.590 .  5.201 3.563 3.527  3.587     .  0  0 "[    .    1    .    2]" 1 
        396 1 28 ASP HA   1 31 SER H    3.300 .  4.661 3.303 3.148  3.499     .  0  0 "[    .    1    .    2]" 1 
        397 1 28 ASP HA   1 31 SER HB2  2.311 .  2.979 2.996 2.661  3.078 0.099  8  0 "[    .    1    .    2]" 1 
        398 1 28 ASP HA   1 31 SER HB3  2.316 .  2.986 2.939 2.721  3.043 0.057  2  0 "[    .    1    .    2]" 1 
        399 1 28 ASP HA   1 69 MET ME   2.914 .  3.976 3.089 2.753  3.710     .  0  0 "[    .    1    .    2]" 1 
        400 1 28 ASP HB3  1 29 LEU H    2.964 .  4.062 3.318 2.295  3.990     .  0  0 "[    .    1    .    2]" 1 
        401 1 29 LEU H    1 29 LEU HB2  2.392 .  3.107 2.429 2.151  2.565     .  0  0 "[    .    1    .    2]" 1 
        402 1 29 LEU H    1 29 LEU QD   2.617 .  3.473 2.799 2.077  3.096     .  0  0 "[    .    1    .    2]" 1 
        403 1 29 LEU H    1 29 LEU HG   2.748 .  3.692 2.654 2.115  3.961 0.269 13  0 "[    .    1    .    2]" 1 
        404 1 29 LEU H    1 30 ARG H    2.754 .  3.702 2.728 2.604  2.939     .  0  0 "[    .    1    .    2]" 1 
        405 1 29 LEU H    1 30 ARG H    2.449 .  3.198 2.428 2.372  2.531     .  0  0 "[    .    1    .    2]" 1 
        406 1 29 LEU HA   1 29 LEU HB2  2.356 .  3.050 2.510 2.260  2.724     .  0  0 "[    .    1    .    2]" 1 
        407 1 29 LEU HA   1 29 LEU HB3  2.527 .  3.325 2.522 2.452  2.690     .  0  0 "[    .    1    .    2]" 1 
        408 1 29 LEU HA   1 29 LEU QD       . .  2.776 2.084 1.983  2.319     .  0  0 "[    .    1    .    2]" 1 
        409 1 29 LEU HA   1 32 LEU H    3.054 .  4.220 3.375 3.103  3.525     .  0  0 "[    .    1    .    2]" 1 
        410 1 29 LEU HA   1 32 LEU HB3  2.385 .  3.096 2.700 2.335  3.103 0.007 12  0 "[    .    1    .    2]" 1 
        411 1 29 LEU HA   1 32 LEU QD   2.897 .  3.946 3.625 3.158  3.865     .  0  0 "[    .    1    .    2]" 1 
        412 1 29 LEU HA   1 32 LEU QD   3.583 .  5.188 3.370 3.038  3.562     .  0  0 "[    .    1    .    2]" 1 
        413 1 29 LEU HA   1 33 PHE H    3.315 .  4.688 3.746 3.364  4.127     .  0  0 "[    .    1    .    2]" 1 
        414 1 29 LEU HB2  1 29 LEU QD   2.536 .  2.831 2.226 2.100  2.292     .  0  0 "[    .    1    .    2]" 1 
        415 1 29 LEU HB2  1 29 LEU HG   2.431 .  3.170 2.597 2.443  3.009     .  0  0 "[    .    1    .    2]" 1 
        416 1 29 LEU HB3  1 29 LEU QD   2.545 .  3.355 2.151 2.080  2.345     .  0  0 "[    .    1    .    2]" 1 
        417 1 29 LEU MD1  1 29 LEU MD2  1.722 .  2.093 2.082 2.072  2.093     .  0  0 "[    .    1    .    2]" 1 
        418 1 29 LEU QD   1 29 LEU HG   2.150 .  2.728 1.892 1.884  1.898     .  0  0 "[    .    1    .    2]" 1 
        419 1 29 LEU QD   1 30 ARG H    4.635 .  7.320 3.931 3.768  4.049     .  0  0 "[    .    1    .    2]" 1 
        420 1 29 LEU QD   1 33 PHE QE   2.240 .  2.867 2.575 2.198  2.752     .  0  0 "[    .    1    .    2]" 1 
        421 1 29 LEU QD   1 33 PHE QE   2.515 .  3.306 2.544 2.183  2.727     .  0  0 "[    .    1    .    2]" 1 
        422 1 29 LEU QD   1 33 PHE HZ   2.577 .  3.407 2.329 1.897  3.084     .  0  0 "[    .    1    .    2]" 1 
        423 1 29 LEU QD   1 55 PHE QE   3.831 .  5.666 4.925 4.489  5.296     .  0  0 "[    .    1    .    2]" 1 
        424 1 29 LEU QD   1 55 PHE HZ   4.272 .  6.553 6.159 5.787  6.521     .  0  0 "[    .    1    .    2]" 1 
        425 1 29 LEU QD   1 53 TYR QD   4.690 .  7.439 4.949 4.062  5.765     .  0  0 "[    .    1    .    2]" 1 
        426 1 29 LEU QD   1 53 TYR QD   2.776 .  3.739 3.693 3.235  3.977 0.238 11  0 "[    .    1    .    2]" 1 
        427 1 29 LEU QD   1 56 ILE MG   2.942 .  4.024 1.907 1.580  2.292 0.280  1  0 "[    .    1    .    2]" 1 
        428 1 29 LEU QD   1 69 MET ME   3.424 .  4.889 4.534 4.266  4.855     .  0  0 "[    .    1    .    2]" 1 
        429 1 29 LEU HG   1 55 PHE QE   4.006 .  6.012 5.774 5.438  6.020 0.008  2  0 "[    .    1    .    2]" 1 
        430 1 30 ARG H    1 30 ARG HA   2.739 .  3.677 2.786 2.763  2.806     .  0  0 "[    .    1    .    2]" 1 
        431 1 30 ARG H    1 31 SER H    2.797 .  3.775 2.731 2.623  2.847     .  0  0 "[    .    1    .    2]" 1 
        432 1 30 ARG HA   1 30 ARG HB2  1.974 .  2.461 2.538 2.442  3.016 0.555 10  1 "[    .    +    .    2]" 1 
        433 1 30 ARG HA   1 30 ARG HB2  2.345 .  3.032 2.403 2.226  2.693     .  0  0 "[    .    1    .    2]" 1 
        434 1 30 ARG HA   1 30 ARG HD2  2.753 .  3.701 3.559 2.102  4.589 0.888 15  7 "[    .    * * *+*-* 2]" 1 
        435 1 30 ARG HA   1 30 ARG HG2  2.478 .  3.246 2.892 2.266  3.853 0.607  8  5 "[   *.  +*1*   .   -2]" 1 
        436 1 30 ARG HA   1 30 ARG HG2  2.123 .  2.687 2.343 2.148  2.934 0.247  9  0 "[    .    1    .    2]" 1 
        437 1 30 ARG HA   1 31 SER H    3.131 .  4.356 3.527 3.442  3.554     .  0  0 "[    .    1    .    2]" 1 
        438 1 30 ARG HA   1 33 PHE H    3.306 .  4.672 3.943 3.493  4.475     .  0  0 "[    .    1    .    2]" 1 
        439 1 30 ARG HA   1 33 PHE QD   2.869 .  3.898 3.470 2.696  3.995 0.097  8  0 "[    .    1    .    2]" 1 
        440 1 30 ARG HA   1 34 SER H    3.598 .  5.216 4.096 3.635  4.617     .  0  0 "[    .    1    .    2]" 1 
        441 1 30 ARG HB3  1 31 SER H    2.714 .  3.634 2.634 2.382  3.378     .  0  0 "[    .    1    .    2]" 1 
        442 1 30 ARG HD2  1 31 SER H    4.447 .  6.919 4.348 3.664  5.304     .  0  0 "[    .    1    .    2]" 1 
        443 1 30 ARG HG2  1 34 SER H    3.435 .  4.910 4.076 3.808  4.253     .  0  0 "[    .    1    .    2]" 1 
        444 1 30 ARG HG3  1 34 SER H    3.478 .  4.990 4.567 4.125  4.917     .  0  0 "[    .    1    .    2]" 1 
        445 1 31 SER H    1 31 SER HA   2.638 .  3.508 2.817 2.779  2.909     .  0  0 "[    .    1    .    2]" 1 
        446 1 31 SER H    1 31 SER QB   2.399 .  3.119 2.218 2.144  2.298     .  0  0 "[    .    1    .    2]" 1 
        447 1 31 SER H    1 34 SER H    3.677 .  5.367 4.013 3.771  4.295     .  0  0 "[    .    1    .    2]" 1 
        448 1 31 SER HA   1 32 LEU H    3.279 .  4.623 3.540 3.514  3.563     .  0  0 "[    .    1    .    2]" 1 
        449 1 31 SER HB2  1 69 MET ME   2.333 .  3.013 3.308 3.244  3.421 0.408 20  0 "[    .    1    .    2]" 1 
        450 1 31 SER HB3  1 69 MET ME   2.453 .  3.205 1.819 1.655  2.027 0.046 15  0 "[    .    1    .    2]" 1 
        451 1 32 LEU H    1 32 LEU HA   2.383 .  3.093 2.799 2.774  2.824     .  0  0 "[    .    1    .    2]" 1 
        452 1 32 LEU H    1 32 LEU HB2  2.391 .  3.106 2.481 2.232  2.700     .  0  0 "[    .    1    .    2]" 1 
        453 1 32 LEU H    1 32 LEU HB3  2.443 .  3.189 2.495 2.284  2.662     .  0  0 "[    .    1    .    2]" 1 
        454 1 32 LEU H    1 32 LEU QD   3.008 .  4.139 3.674 3.580  3.751     .  0  0 "[    .    1    .    2]" 1 
        455 1 32 LEU H    1 32 LEU HG   3.135 .  4.363 4.408 4.312  4.454 0.091  8  0 "[    .    1    .    2]" 1 
        456 1 32 LEU H    1 33 PHE H    2.537 .  3.342 2.775 2.666  2.897     .  0  0 "[    .    1    .    2]" 1 
        457 1 32 LEU H    1 33 PHE HB2  4.947 .  8.006 4.495 4.100  4.888     .  0  0 "[    .    1    .    2]" 1 
        458 1 32 LEU H    1 35 ARG H    4.709 .  7.481 4.780 4.571  4.959     .  0  0 "[    .    1    .    2]" 1 
        459 1 32 LEU H    1 69 MET ME   3.109 .  4.317 2.580 2.358  2.796     .  0  0 "[    .    1    .    2]" 1 
        460 1 32 LEU HA   1 32 LEU HB2  2.480 .  3.249 2.449 2.344  2.552     .  0  0 "[    .    1    .    2]" 1 
        461 1 32 LEU HA   1 32 LEU HB3  2.371 .  3.074 3.009 2.997  3.017     .  0  0 "[    .    1    .    2]" 1 
        462 1 32 LEU HA   1 32 LEU QD   2.065 .  2.598 1.966 1.777  2.167 0.077  7  0 "[    .    1    .    2]" 1 
        463 1 32 LEU HA   1 32 LEU HG   3.036 .  4.188 3.323 3.035  3.610     .  0  0 "[    .    1    .    2]" 1 
        464 1 32 LEU HA   1 33 PHE H    3.199 .  4.478 3.538 3.524  3.559     .  0  0 "[    .    1    .    2]" 1 
        465 1 32 LEU HA   1 33 PHE QD   3.547 .  5.120 4.996 4.735  5.154 0.034 13  0 "[    .    1    .    2]" 1 
        466 1 32 LEU HA   1 33 PHE QE   4.478 .  6.984 6.066 5.865  6.229     .  0  0 "[    .    1    .    2]" 1 
        467 1 32 LEU HA   1 36 ALA H    3.921 .  5.843 4.381 4.134  4.630     .  0  0 "[    .    1    .    2]" 1 
        468 1 32 LEU HA   1 69 MET ME   2.658 .  3.541 2.536 2.168  3.011     .  0  0 "[    .    1    .    2]" 1 
        469 1 32 LEU HA   2  8 ALA MB   3.028 .  4.174 3.454 2.916  4.115     .  0  0 "[    .    1    .    2]" 1 
        470 1 32 LEU HB2  1 32 LEU QD   2.403 .  3.125 2.249 2.075  2.553     .  0  0 "[    .    1    .    2]" 1 
        471 1 32 LEU HB2  1 32 LEU HG   2.442 .  3.188 2.747 2.220  3.019     .  0  0 "[    .    1    .    2]" 1 
        472 1 32 LEU HB2  1 33 PHE H    2.624 .  3.484 3.524 3.366  3.622 0.138 19  0 "[    .    1    .    2]" 1 
        473 1 32 LEU HB2  1 69 MET ME   3.069 .  4.247 1.957 1.774  2.240 0.117 20  0 "[    .    1    .    2]" 1 
        474 1 32 LEU HB3  1 32 LEU QD   2.360 .  3.056 2.260 2.118  2.402     .  0  0 "[    .    1    .    2]" 1 
        475 1 32 LEU HB3  1 32 LEU HG   2.650 .  3.528 2.503 2.400  2.678     .  0  0 "[    .    1    .    2]" 1 
        476 1 32 LEU HB3  1 33 PHE H    2.668 .  3.558 2.297 2.136  2.477     .  0  0 "[    .    1    .    2]" 1 
        477 1 32 LEU HB3  1 35 ARG H    2.747 .  3.690 3.567 2.970  3.970 0.280 11  0 "[    .    1    .    2]" 1 
        478 1 32 LEU MD1  1 32 LEU MD2  1.834 .  2.254 2.071 2.033  2.094     .  0  0 "[    .    1    .    2]" 1 
        479 1 32 LEU QD   1 32 LEU HG   2.011 .  2.516 1.888 1.882  1.891     .  0  0 "[    .    1    .    2]" 1 
        480 1 32 LEU QD   1 32 LEU HG   2.011 .  2.516 1.841 1.785  1.879     .  0  0 "[    .    1    .    2]" 1 
        481 1 32 LEU QD   1 33 PHE H    3.071 .  4.250 3.419 2.965  3.796     .  0  0 "[    .    1    .    2]" 1 
        482 1 32 LEU QD   1 33 PHE QD   2.473 .  3.238 2.684 2.143  3.192     .  0  0 "[    .    1    .    2]" 1 
        483 1 32 LEU QD   1 33 PHE QE   2.476 .  3.242 2.411 2.022  2.760     .  0  0 "[    .    1    .    2]" 1 
        484 1 32 LEU QD   1 33 PHE HZ   2.953 .  4.043 3.912 3.727  4.067 0.024  7  0 "[    .    1    .    2]" 1 
        485 1 32 LEU QD   1 35 ARG H    4.042 .  6.084 3.582 3.251  3.976     .  0  0 "[    .    1    .    2]" 1 
        486 1 32 LEU QD   1 36 ALA H    3.380 .  4.808 3.709 3.290  4.280     .  0  0 "[    .    1    .    2]" 1 
        487 1 32 LEU QD   2  7 VAL QG   2.594 .  3.435 1.569 1.308  1.737 0.445 20  0 "[    .    1    .    2]" 1 
        488 1 32 LEU QD   1 55 PHE HZ   2.841 .  3.850 2.463 1.806  3.018 0.026 17  0 "[    .    1    .    2]" 1 
        489 1 32 LEU QD   1 55 PHE QD   2.591 .  3.430 3.498 3.264  3.663 0.233 13  0 "[    .    1    .    2]" 1 
        490 1 32 LEU QD   1 55 PHE QE   2.610 .  3.462 2.442 2.104  2.961     .  0  0 "[    .    1    .    2]" 1 
        491 1 32 LEU QD   1 65 VAL QG   2.292 .  2.949 2.223 1.797  2.830     .  0  0 "[    .    1    .    2]" 1 
        492 1 32 LEU QD   2  7 VAL HB   3.218 .  4.513 2.707 1.611  3.620 0.312 11  0 "[    .    1    .    2]" 1 
        493 1 32 LEU QD   1 69 MET ME   2.870 .  3.123 2.521 2.021  2.933     .  0  0 "[    .    1    .    2]" 1 
        494 1 32 LEU QD   2  9 GLN H    3.466 .  4.968 3.259 2.058  4.265     .  0  0 "[    .    1    .    2]" 1 
        495 1 32 LEU QD   2 12 MET ME   3.406 .  4.856 2.228 1.825  4.012 0.131  1  0 "[    .    1    .    2]" 1 
        496 1 32 LEU QD   2  7 VAL QG   2.243 .  2.872 1.593 1.314  1.781 0.606 20  3 "[-   .*   1    .    +]" 1 
        497 1 32 LEU QD   2  8 ALA HA   2.174 .  2.765 2.097 1.840  2.566 0.159  1  0 "[    .    1    .    2]" 1 
        498 1 32 LEU QD   2  8 ALA HA   2.900 .  3.951 2.072 1.828  2.515 0.021  1  0 "[    .    1    .    2]" 1 
        499 1 32 LEU QD   2  8 ALA MB   2.007 .  2.511 2.106 1.698  2.559 0.277 14  0 "[    .    1    .    2]" 1 
        500 1 32 LEU QD   2 11 LEU H    2.700 .  3.611 3.565 3.421  3.711 0.100  8  0 "[    .    1    .    2]" 1 
        501 1 32 LEU QD   2 11 LEU HB3  3.625 .  5.268 3.920 3.074  4.613     .  0  0 "[    .    1    .    2]" 1 
        502 1 32 LEU HG   1 33 PHE H    3.162 .  4.412 3.772 2.942  4.672 0.260  8  0 "[    .    1    .    2]" 1 
        503 1 32 LEU HG   2 11 LEU QD   2.942 .  4.024 2.532 2.049  3.356     .  0  0 "[    .    1    .    2]" 1 
        504 1 32 LEU HG   1 55 PHE QE   3.893 .  5.787 4.485 4.173  4.950     .  0  0 "[    .    1    .    2]" 1 
        505 1 32 LEU HG   1 55 PHE HZ   4.424 .  6.871 5.526 5.020  5.846     .  0  0 "[    .    1    .    2]" 1 
        506 1 33 PHE H    1 33 PHE HA   2.976 .  4.083 2.799 2.770  2.821     .  0  0 "[    .    1    .    2]" 1 
        507 1 33 PHE H    1 33 PHE HB2  2.596 .  3.438 2.571 2.512  2.647     .  0  0 "[    .    1    .    2]" 1 
        508 1 33 PHE H    1 33 PHE QD   3.149 .  4.389 2.911 2.715  3.066     .  0  0 "[    .    1    .    2]" 1 
        509 1 33 PHE H    1 34 SER H    2.205 .  2.813 2.369 2.331  2.430     .  0  0 "[    .    1    .    2]" 1 
        510 1 33 PHE H    1 34 SER QB   3.355 .  4.762 4.486 4.366  4.726     .  0  0 "[    .    1    .    2]" 1 
        511 1 33 PHE HA   1 33 PHE HB2  2.517 .  3.309 3.023 3.018  3.028     .  0  0 "[    .    1    .    2]" 1 
        512 1 33 PHE HA   1 33 PHE HB3  2.590 .  3.429 2.450 2.426  2.487     .  0  0 "[    .    1    .    2]" 1 
        513 1 33 PHE HA   1 33 PHE QD   2.354 .  3.047 1.996 1.893  2.150     .  0  0 "[    .    1    .    2]" 1 
        514 1 33 PHE HA   1 33 PHE QE   3.191 .  4.464 4.351 4.260  4.477 0.013 15  0 "[    .    1    .    2]" 1 
        515 1 33 PHE HA   1 35 ARG H    2.342 .  3.027 3.050 2.694  3.348 0.321  7  0 "[    .    1    .    2]" 1 
        516 1 33 PHE HA   1 36 ALA H    2.705 .  3.619 2.682 2.621  2.739     .  0  0 "[    .    1    .    2]" 1 
        517 1 33 PHE HA   1 36 ALA MB   2.566 .  3.389 2.455 2.277  2.677     .  0  0 "[    .    1    .    2]" 1 
        518 1 33 PHE HA   1 38 ILE MD   2.664 .  3.551 2.091 1.791  2.592     .  0  0 "[    .    1    .    2]" 1 
        519 1 33 PHE HA   2 11 LEU QD   3.909 .  5.820 2.757 2.494  2.943     .  0  0 "[    .    1    .    2]" 1 
        520 1 33 PHE QB   1 36 ALA H    4.119 .  6.240 4.351 4.222  4.571     .  0  0 "[    .    1    .    2]" 1 
        521 1 33 PHE QB   1 37 GLY H    4.493 .  7.016 5.250 4.782  5.678     .  0  0 "[    .    1    .    2]" 1 
        522 1 33 PHE HB2  1 34 SER H    2.736 .  3.672 2.654 2.474  2.853     .  0  0 "[    .    1    .    2]" 1 
        523 1 33 PHE HB2  1 35 ARG H    3.161 .  4.410 3.663 3.242  4.203     .  0  0 "[    .    1    .    2]" 1 
        524 1 33 PHE HB3  1 38 ILE H    3.220 .  4.516 4.264 3.698  4.583 0.067  2  0 "[    .    1    .    2]" 1 
        525 1 33 PHE HB3  1 38 ILE HB   2.522 .  3.317 2.051 1.701  2.539 0.026 13  0 "[    .    1    .    2]" 1 
        526 1 33 PHE QD   1 34 SER H    4.523 .  7.080 4.383 4.311  4.439     .  0  0 "[    .    1    .    2]" 1 
        527 1 33 PHE QD   1 36 ALA MB   2.786 .  3.757 3.497 3.172  3.820 0.063 20  0 "[    .    1    .    2]" 1 
        528 1 33 PHE QD   1 38 ILE MD   2.395 .  3.112 2.574 2.143  3.148 0.036 11  0 "[    .    1    .    2]" 1 
        529 1 33 PHE QD   1 40 GLU HA   4.536 .  7.108 5.966 5.559  6.323     .  0  0 "[    .    1    .    2]" 1 
        530 1 33 PHE QD   1 43 LEU HA   4.370 .  6.758 4.894 4.641  5.172     .  0  0 "[    .    1    .    2]" 1 
        531 1 33 PHE QD   1 43 LEU QD   2.298 .  2.958 1.993 1.792  2.223 0.050  9  0 "[    .    1    .    2]" 1 
        532 1 33 PHE QD   1 52 ILE MD   2.775 .  3.738 3.674 3.229  3.857 0.119  3  0 "[    .    1    .    2]" 1 
        533 1 33 PHE QD   2  7 VAL QG   3.867 .  5.736 5.265 5.070  5.392     .  0  0 "[    .    1    .    2]" 1 
        534 1 33 PHE QD   2 11 LEU QD       . .  2.772 2.238 2.039  2.457     .  0  0 "[    .    1    .    2]" 1 
        535 1 33 PHE QE   1 43 LEU HA   4.677 .  7.412 5.664 5.348  6.104     .  0  0 "[    .    1    .    2]" 1 
        536 1 33 PHE QE   1 43 LEU QD   2.658 .  3.541 2.923 2.575  3.180     .  0  0 "[    .    1    .    2]" 1 
        537 1 33 PHE QE   1 52 ILE MD   2.995 .  4.116 4.007 3.834  4.131 0.015  7  0 "[    .    1    .    2]" 1 
        538 1 33 PHE QE   1 52 ILE MG   2.304 .  2.967 2.511 2.412  2.675     .  0  0 "[    .    1    .    2]" 1 
        539 1 33 PHE QE   1 55 PHE HZ   4.544 .  7.125 6.514 5.896  6.991     .  0  0 "[    .    1    .    2]" 1 
        540 1 33 PHE QE   2 11 LEU QD       . .  3.192 2.621 2.266  3.012     .  0  0 "[    .    1    .    2]" 1 
        541 1 33 PHE HZ   1 43 LEU QD   3.520 .  5.068 4.086 3.685  4.359     .  0  0 "[    .    1    .    2]" 1 
        542 1 33 PHE HZ   1 52 ILE MD   3.312 .  4.683 4.731 4.549  4.802 0.119  8  0 "[    .    1    .    2]" 1 
        543 1 33 PHE HZ   1 52 ILE MG   2.496 .  3.275 2.932 2.771  3.085     .  0  0 "[    .    1    .    2]" 1 
        544 1 33 PHE HZ   1 55 PHE QE   5.403 .  9.052 6.329 5.736  6.778     .  0  0 "[    .    1    .    2]" 1 
        545 1 33 PHE HZ   1 56 ILE MD   2.487 .  3.260 1.962 1.691  2.264 0.023 11  0 "[    .    1    .    2]" 1 
        546 1 33 PHE HZ   2 11 LEU QD   3.986 .  5.972 4.494 4.148  4.741     .  0  0 "[    .    1    .    2]" 1 
        547 1 34 SER H    1 34 SER HA   2.657 .  3.539 2.814 2.798  2.839     .  0  0 "[    .    1    .    2]" 1 
        548 1 34 SER H    1 34 SER QB   2.375 .  3.080 2.277 2.210  2.489     .  0  0 "[    .    1    .    2]" 1 
        549 1 34 SER H    1 35 ARG H    2.128 .  2.694 2.625 2.529  2.694     .  0  0 "[    .    1    .    2]" 1 
        550 1 34 SER H    1 35 ARG QB   3.498 .  5.027 4.130 3.963  4.299     .  0  0 "[    .    1    .    2]" 1 
        551 1 34 SER H    1 43 LEU QD   4.346 .  6.707 4.492 4.004  5.341     .  0  0 "[    .    1    .    2]" 1 
        552 1 34 SER HA   1 34 SER QB   1.881 .  2.323 2.333 2.315  2.361 0.038  2  0 "[    .    1    .    2]" 1 
        553 1 34 SER HA   1 37 GLY H    2.695 .  3.603 3.599 3.431  3.681 0.078  7  0 "[    .    1    .    2]" 1 
        554 1 34 SER HA   1 38 ILE H    3.158 .  4.404 4.090 3.644  4.434 0.030  4  0 "[    .    1    .    2]" 1 
        555 1 34 SER QB   1 35 ARG H    2.453 .  3.205 2.713 2.501  3.003     .  0  0 "[    .    1    .    2]" 1 
        556 1 35 ARG H    1 35 ARG QB   2.276 .  2.924 2.317 2.097  2.474     .  0  0 "[    .    1    .    2]" 1 
        557 1 35 ARG H    1 36 ALA H    2.426 .  3.161 2.462 2.204  2.617     .  0  0 "[    .    1    .    2]" 1 
        558 1 35 ARG H    1 37 GLY H    4.041 .  6.082 3.983 3.837  4.154     .  0  0 "[    .    1    .    2]" 1 
        559 1 35 ARG HA   1 35 ARG HG2  2.196 .  2.799 2.674 2.529  3.020 0.221  9  0 "[    .    1    .    2]" 1 
        560 1 35 ARG HA   1 35 ARG HG3  2.008 .  2.512 2.736 2.354  2.997 0.485  5  0 "[    .    1    .    2]" 1 
        561 1 35 ARG HA   1 36 ALA H    2.576 .  3.406 3.351 3.209  3.396     .  0  0 "[    .    1    .    2]" 1 
        562 1 35 ARG HA   2  8 ALA MB   4.191 .  6.387 4.040 3.752  4.707     .  0  0 "[    .    1    .    2]" 1 
        563 1 35 ARG HA   2  8 ALA MB   2.661 .  3.546 3.489 3.308  3.674 0.128 11  0 "[    .    1    .    2]" 1 
        564 1 35 ARG QB   2  8 ALA MB   2.493 .  3.270 2.112 1.803  2.932     .  0  0 "[    .    1    .    2]" 1 
        565 1 35 ARG HB3  2  8 ALA H    3.772 .  5.550 4.726 4.350  5.270     .  0  0 "[    .    1    .    2]" 1 
        566 1 35 ARG HB3  2  8 ALA MB   2.286 .  2.939 2.334 1.908  2.982 0.043 11  0 "[    .    1    .    2]" 1 
        567 1 35 ARG QD   1 35 ARG HG3  2.028 .  2.542 2.293 2.159  2.429     .  0  0 "[    .    1    .    2]" 1 
        568 1 35 ARG QD   1 35 ARG HG3  1.806 .  2.214 2.012 1.932  2.158     .  0  0 "[    .    1    .    2]" 1 
        569 1 35 ARG QD   1 69 MET ME   2.678 .  3.574 3.093 2.417  3.720 0.146  2  0 "[    .    1    .    2]" 1 
        570 1 35 ARG QD   2  8 ALA MB   2.593 .  3.433 2.830 2.062  3.630 0.197  2  0 "[    .    1    .    2]" 1 
        571 1 35 ARG HG2  2  8 ALA MB   2.821 .  3.816 3.681 2.479  4.194 0.378 18  0 "[    .    1    .    2]" 1 
        572 1 35 ARG HG3  2  8 ALA MB   3.516 .  5.062 4.102 3.810  4.430     .  0  0 "[    .    1    .    2]" 1 
        573 1 36 ALA H    1 36 ALA MB   2.227 .  2.847 2.242 2.163  2.306     .  0  0 "[    .    1    .    2]" 1 
        574 1 36 ALA H    1 37 GLY H    2.625 .  3.486 2.520 2.345  2.620     .  0  0 "[    .    1    .    2]" 1 
        575 1 36 ALA H    1 37 GLY QA   4.195 .  6.395 4.461 4.282  4.554     .  0  0 "[    .    1    .    2]" 1 
        576 1 36 ALA HA   1 36 ALA MB   1.935 .  2.403 2.128 2.122  2.134     .  0  0 "[    .    1    .    2]" 1 
        577 1 36 ALA HA   2  8 ALA HA   4.169 .  6.342 3.587 2.923  4.215     .  0  0 "[    .    1    .    2]" 1 
        578 1 36 ALA HA   2  8 ALA MB   2.116 .  2.675 2.591 2.391  2.739 0.064 17  0 "[    .    1    .    2]" 1 
        579 1 36 ALA HA   2 11 LEU HB2  4.503 .  7.037 4.962 3.977  6.269     .  0  0 "[    .    1    .    2]" 1 
        580 1 36 ALA HA   2 12 MET ME   2.700 .  3.611 2.270 1.873  3.356 0.107  3  0 "[    .    1    .    2]" 1 
        581 1 36 ALA HA   2 12 MET HG2  3.490 .  5.012 3.303 2.254  4.573     .  0  0 "[    .    1    .    2]" 1 
        582 1 36 ALA HA   2 12 MET HG3  3.475 .  4.985 2.872 2.477  3.207     .  0  0 "[    .    1    .    2]" 1 
        583 1 36 ALA MB   1 37 GLY H    2.789 .  3.761 3.143 2.795  3.501     .  0  0 "[    .    1    .    2]" 1 
        584 1 36 ALA MB   1 38 ILE MD   2.230 .  2.851 2.170 1.740  2.427     .  0  0 "[    .    1    .    2]" 1 
        585 1 36 ALA MB   1 38 ILE QG   2.918 .  3.982 2.377 1.976  3.680     .  0  0 "[    .    1    .    2]" 1 
        586 1 36 ALA MB   1 55 PHE HZ   3.784 .  5.574 5.100 4.794  5.406     .  0  0 "[    .    1    .    2]" 1 
        587 1 36 ALA MB   2  8 ALA HA   2.765 .  3.721 2.438 2.107  2.892     .  0  0 "[    .    1    .    2]" 1 
        588 1 36 ALA MB   2 11 LEU HB2  2.993 .  4.113 2.932 2.229  3.965     .  0  0 "[    .    1    .    2]" 1 
        589 1 36 ALA MB   2 11 LEU HB3  3.263 .  4.594 2.177 1.763  2.689 0.169 14  0 "[    .    1    .    2]" 1 
        590 1 36 ALA MB   2 11 LEU QD   2.356 .  3.050 2.142 1.914  2.406 0.085  2  0 "[    .    1    .    2]" 1 
        591 1 36 ALA MB   2 11 LEU HG   3.106 .  4.312 3.430 2.418  3.980     .  0  0 "[    .    1    .    2]" 1 
        592 1 36 ALA MB   2 12 MET HB3  3.872 .  5.746 5.080 4.383  5.403     .  0  0 "[    .    1    .    2]" 1 
        593 1 36 ALA MB   2 12 MET ME   2.705 .  3.620 3.514 3.203  3.695 0.075 20  0 "[    .    1    .    2]" 1 
        594 1 36 ALA MB   2 12 MET HG2  3.059 .  3.898 3.378 2.682  3.816     .  0  0 "[    .    1    .    2]" 1 
        595 1 36 ALA MB   2 12 MET HG3  3.284 .  3.974 3.042 2.136  3.280     .  0  0 "[    .    1    .    2]" 1 
        596 1 36 ALA MB   2 13 GLN H    3.269 .  4.605 4.438 4.348  4.607 0.002  2  0 "[    .    1    .    2]" 1 
        597 1 36 ALA MB   2 14 HIS HD2  4.471 .  6.970 6.061 5.188  6.614     .  0  0 "[    .    1    .    2]" 1 
        598 1 37 GLY H    1 37 GLY QA   2.483 .  3.083 2.288 2.237  2.348     .  0  0 "[    .    1    .    2]" 1 
        599 1 37 GLY H    1 38 ILE H    2.335 .  3.017 2.437 2.113  2.826     .  0  0 "[    .    1    .    2]" 1 
        600 1 37 GLY H    1 38 ILE MD   4.442 .  6.908 4.367 3.180  4.857     .  0  0 "[    .    1    .    2]" 1 
        601 1 37 GLY H    1 38 ILE QG   4.709 .  7.481 3.955 3.507  5.112     .  0  0 "[    .    1    .    2]" 1 
        602 1 37 GLY QA   1 38 ILE H    2.913 .  3.974 2.884 2.836  2.923     .  0  0 "[    .    1    .    2]" 1 
        603 1 37 GLY QA   2 24 ARG H    3.835 .  5.674 5.462 4.907  5.810 0.136  1  0 "[    .    1    .    2]" 1 
        604 1 37 GLY QA   2 22 PRO HA   4.612 .  7.271 5.823 3.078  7.359 0.088 14  0 "[    .    1    .    2]" 1 
        605 1 37 GLY QA   2 22 PRO HB3  4.947 .  8.006 6.624 5.270  7.566     .  0  0 "[    .    1    .    2]" 1 
        606 1 38 ILE H    1 38 ILE HB   2.305 .  2.969 2.644 2.578  2.728     .  0  0 "[    .    1    .    2]" 1 
        607 1 38 ILE H    1 38 ILE MD   2.708 .  3.625 2.929 1.805  3.155     .  0  0 "[    .    1    .    2]" 1 
        608 1 38 ILE H    1 38 ILE QG   2.405 .  3.128 1.911 1.686  3.032     .  0  0 "[    .    1    .    2]" 1 
        609 1 38 ILE HA   1 38 ILE HB   2.859 .  3.881 3.016 3.004  3.024     .  0  0 "[    .    1    .    2]" 1 
        610 1 38 ILE HA   1 38 ILE QG   2.902 .  3.535 2.556 2.415  2.629     .  0  0 "[    .    1    .    2]" 1 
        611 1 38 ILE HA   1 38 ILE MG   2.179 .  2.773 2.296 2.246  2.354     .  0  0 "[    .    1    .    2]" 1 
        612 1 38 ILE HA   1 39 SER H    2.355 .  3.048 2.162 2.139  2.196     .  0  0 "[    .    1    .    2]" 1 
        613 1 38 ILE HA   2 23 ALA MB   4.172 .  6.347 4.005 2.421  5.294     .  0  0 "[    .    1    .    2]" 1 
        614 1 38 ILE HB   1 38 ILE MD   2.452 .  3.203 2.312 2.237  2.383     .  0  0 "[    .    1    .    2]" 1 
        615 1 38 ILE HB   1 38 ILE QG   2.981 .  3.729 2.437 2.403  2.468     .  0  0 "[    .    1    .    2]" 1 
        616 1 38 ILE HB   1 38 ILE MG   2.123 .  2.687 2.127 2.119  2.132     .  0  0 "[    .    1    .    2]" 1 
        617 1 38 ILE MD   1 38 ILE QG   2.210 .  2.820 1.883 1.878  1.888     .  0  0 "[    .    1    .    2]" 1 
        618 1 38 ILE MD   2 11 LEU HB3  3.560 .  5.145 3.236 2.361  4.365     .  0  0 "[    .    1    .    2]" 1 
        619 1 38 ILE MD   2 11 LEU QD       . .  2.632 1.633 1.498  1.975 0.384  5  0 "[    .    1    .    2]" 1 
        620 1 38 ILE MD   2 11 LEU HG   3.008 .  4.139 3.271 2.125  3.975     .  0  0 "[    .    1    .    2]" 1 
        621 1 38 ILE MD   2 15 LEU QD   2.345 .  3.033 2.387 1.982  2.649     .  0  0 "[    .    1    .    2]" 1 
        622 1 38 ILE QG   1 38 ILE MG   2.666 .  3.504 2.209 2.048  2.272     .  0  0 "[    .    1    .    2]" 1 
        623 1 38 ILE QG   1 42 GLN HE22 4.391 .  6.801 3.431 2.331  4.928     .  0  0 "[    .    1    .    2]" 1 
        624 1 38 ILE QG   1 52 ILE H    4.163 .  6.329 6.234 5.442  6.491 0.162 12  0 "[    .    1    .    2]" 1 
        625 1 38 ILE QG   2 14 HIS HE1  6.437 . 11.617 8.930 8.246  9.334     .  0  0 "[    .    1    .    2]" 1 
        626 1 38 ILE QG   2 15 LEU QD   3.818 .  4.596 2.617 2.209  3.225     .  0  0 "[    .    1    .    2]" 1 
        627 1 38 ILE MG   1 39 SER H    2.718 .  3.641 3.086 2.831  3.269     .  0  0 "[    .    1    .    2]" 1 
        628 1 38 ILE MG   1 42 GLN H    3.355 .  4.762 3.912 3.608  4.184     .  0  0 "[    .    1    .    2]" 1 
        629 1 38 ILE MG   1 42 GLN HB2  2.618 .  3.475 2.718 2.030  3.571 0.096  2  0 "[    .    1    .    2]" 1 
        630 1 38 ILE MG   1 42 GLN HB3  2.772 .  3.733 2.037 1.788  2.463 0.023 16  0 "[    .    1    .    2]" 1 
        631 1 38 ILE MG   1 43 LEU H    2.846 .  3.858 2.901 2.648  3.117     .  0  0 "[    .    1    .    2]" 1 
        632 1 38 ILE MG   1 43 LEU QD   2.160 .  2.743 1.970 1.768  2.136     .  0  0 "[    .    1    .    2]" 1 
        633 1 38 ILE MG   1 44 THR H    4.325 .  6.664 3.989 3.791  4.108     .  0  0 "[    .    1    .    2]" 1 
        634 1 38 ILE MG   1 48 THR MG   3.207 .  4.493 2.563 2.170  3.013     .  0  0 "[    .    1    .    2]" 1 
        635 1 38 ILE MG   2 23 ALA H    4.103 .  6.207 5.477 4.995  6.230 0.023  4  0 "[    .    1    .    2]" 1 
        636 1 39 SER H    1 39 SER HB2  2.868 .  3.896 2.783 2.437  3.669     .  0  0 "[    .    1    .    2]" 1 
        637 1 39 SER H    1 42 GLN H    4.033 .  6.066 3.629 3.186  4.085     .  0  0 "[    .    1    .    2]" 1 
        638 1 39 SER H    1 42 GLN HB2  2.904 .  3.958 2.588 1.838  3.042 0.012 16  0 "[    .    1    .    2]" 1 
        639 1 39 SER H    1 42 GLN HB3  3.114 .  4.326 3.319 2.300  4.189     .  0  0 "[    .    1    .    2]" 1 
        640 1 39 SER H    1 42 GLN HG3  3.399 .  4.843 3.818 2.928  4.846 0.003  3  0 "[    .    1    .    2]" 1 
        641 1 39 SER H    2 23 ALA MB   3.020 .  4.160 2.713 1.877  3.808 0.003 20  0 "[    .    1    .    2]" 1 
        642 1 39 SER HA   1 39 SER HB2  2.253 .  2.888 2.603 2.408  3.009 0.121  3  0 "[    .    1    .    2]" 1 
        643 1 39 SER HA   1 39 SER HB3  2.111 .  2.668 2.783 2.392  3.016 0.348 20  0 "[    .    1    .    2]" 1 
        644 1 39 SER HA   1 40 GLU H    2.998 .  4.122 2.529 2.334  2.671     .  0  0 "[    .    1    .    2]" 1 
        645 1 39 SER HA   2 23 ALA MB   3.102 .  4.304 4.202 3.779  4.443 0.139 16  0 "[    .    1    .    2]" 1 
        646 1 39 SER HB2  1 40 GLU H    3.021 .  4.162 2.608 2.114  2.736     .  0  0 "[    .    1    .    2]" 1 
        647 1 39 SER HB2  1 41 ALA H    2.963 .  4.060 3.245 2.714  3.500     .  0  0 "[    .    1    .    2]" 1 
        648 1 39 SER HB2  1 42 GLN H    3.685 .  5.383 4.120 2.630  5.114     .  0  0 "[    .    1    .    2]" 1 
        649 1 39 SER HB2  2 23 ALA MB   2.308 .  2.974 2.574 1.861  3.544 0.570 12  1 "[    .    1 +  .    2]" 1 
        650 1 39 SER HB3  1 40 GLU H    3.063 .  4.236 3.167 2.095  3.851     .  0  0 "[    .    1    .    2]" 1 
        651 1 39 SER HB3  1 42 GLN H    3.869 .  5.740 3.530 2.596  4.646     .  0  0 "[    .    1    .    2]" 1 
        652 1 39 SER HB3  2 23 ALA MB   2.891 .  3.935 2.374 1.762  3.275 0.087  8  0 "[    .    1    .    2]" 1 
        653 1 40 GLU H    1 40 GLU QB   2.795 .  3.772 2.339 2.155  2.668     .  0  0 "[    .    1    .    2]" 1 
        654 1 40 GLU H    1 41 ALA H    3.665 .  5.344 2.816 2.621  3.028     .  0  0 "[    .    1    .    2]" 1 
        655 1 40 GLU HA   1 40 GLU QB   2.063 .  2.595 2.372 2.306  2.505     .  0  0 "[    .    1    .    2]" 1 
        656 1 40 GLU HA   1 40 GLU HG2  2.676 .  3.571 2.961 2.285  3.677 0.106 15  0 "[    .    1    .    2]" 1 
        657 1 40 GLU HA   1 40 GLU HG3  2.723 .  3.650 2.725 2.438  3.254     .  0  0 "[    .    1    .    2]" 1 
        658 1 40 GLU HA   1 43 LEU H    2.871 .  3.902 3.476 2.994  3.669     .  0  0 "[    .    1    .    2]" 1 
        659 1 40 GLU HA   1 43 LEU HB2  2.806 .  3.790 2.906 2.161  3.630     .  0  0 "[    .    1    .    2]" 1 
        660 1 40 GLU HA   1 43 LEU QD   2.363 .  3.061 2.748 2.163  3.137 0.076  6  0 "[    .    1    .    2]" 1 
        661 1 40 GLU QB   1 42 GLN H    3.467 .  4.970 4.181 3.872  4.392     .  0  0 "[    .    1    .    2]" 1 
        662 1 40 GLU HG3  1 43 LEU H    3.578 .  5.179 4.548 4.244  4.913     .  0  0 "[    .    1    .    2]" 1 
        663 1 41 ALA H    1 41 ALA MB   2.405 .  3.128 2.234 2.218  2.266     .  0  0 "[    .    1    .    2]" 1 
        664 1 41 ALA H    1 42 GLN H    2.647 .  3.523 2.721 2.533  2.911     .  0  0 "[    .    1    .    2]" 1 
        665 1 41 ALA MB   1 42 GLN H    2.781 .  3.748 2.536 2.248  3.011     .  0  0 "[    .    1    .    2]" 1 
        666 1 41 ALA MB   1 45 ASP H    3.399 .  4.843 4.148 4.074  4.204     .  0  0 "[    .    1    .    2]" 1 
        667 1 42 GLN H    1 42 GLN HA   2.806 .  3.791 2.827 2.752  2.918     .  0  0 "[    .    1    .    2]" 1 
        668 1 42 GLN H    1 42 GLN HB3  2.883 .  3.922 3.232 2.670  3.632     .  0  0 "[    .    1    .    2]" 1 
        669 1 42 GLN H    1 48 THR MG   4.984 .  8.089 4.965 4.578  5.288     .  0  0 "[    .    1    .    2]" 1 
        670 1 42 GLN H    2 29 HIS HE1  3.196 .  4.472 4.568 4.460  4.720 0.248  5  0 "[    .    1    .    2]" 1 
        671 1 42 GLN HA   1 42 GLN HB2  2.922 .  3.990 2.827 2.549  3.023     .  0  0 "[    .    1    .    2]" 1 
        672 1 42 GLN HA   1 42 GLN HB3  2.526 .  3.324 2.756 2.469  3.015     .  0  0 "[    .    1    .    2]" 1 
        673 1 42 GLN HA   1 42 GLN HG2  2.358 .  3.053 2.692 2.340  3.635 0.582 20  1 "[    .    1    .    +]" 1 
        674 1 42 GLN HA   1 43 LEU H    2.764 .  3.719 2.727 2.699  2.746     .  0  0 "[    .    1    .    2]" 1 
        675 1 42 GLN HA   1 45 ASP H    3.007 .  4.137 3.093 2.816  3.312     .  0  0 "[    .    1    .    2]" 1 
        676 1 42 GLN HA   1 44 THR H    2.790 .  3.763 3.745 3.450  3.865 0.102  3  0 "[    .    1    .    2]" 1 
        677 1 42 GLN HA   1 45 ASP QB   2.998 .  4.121 2.365 2.017  3.265     .  0  0 "[    .    1    .    2]" 1 
        678 1 42 GLN HA   1 45 ASP HB3  3.046 .  4.206 3.396 2.525  4.757 0.551 12  1 "[    .    1 +  .    2]" 1 
        679 1 42 GLN HA   1 48 THR MG   2.834 .  3.838 3.341 2.885  3.865 0.027 20  0 "[    .    1    .    2]" 1 
        680 1 42 GLN HB2  1 42 GLN HG2  2.687 .  3.589 2.947 2.393  3.010     .  0  0 "[    .    1    .    2]" 1 
        681 1 42 GLN HB2  1 43 LEU H    3.062 .  4.234 3.154 2.638  3.744     .  0  0 "[    .    1    .    2]" 1 
        682 1 42 GLN HB2  1 48 THR MG   3.035 .  4.187 3.645 3.221  4.309 0.122  6  0 "[    .    1    .    2]" 1 
        683 1 42 GLN HB3  1 42 GLN HG2  2.951 .  4.040 2.459 2.379  2.526     .  0  0 "[    .    1    .    2]" 1 
        684 1 42 GLN HB3  1 42 GLN HG3  2.736 .  3.672 2.948 2.395  3.008     .  0  0 "[    .    1    .    2]" 1 
        685 1 42 GLN HB3  1 43 LEU H    2.563 .  3.384 2.562 2.238  3.443 0.059  9  0 "[    .    1    .    2]" 1 
        686 1 42 GLN HB3  1 44 THR H    3.721 .  5.452 4.281 4.068  4.724     .  0  0 "[    .    1    .    2]" 1 
        687 1 42 GLN HB3  1 48 THR MG   2.546 .  3.356 2.407 1.670  3.462 0.106  6  0 "[    .    1    .    2]" 1 
        688 1 42 GLN HE21 1 42 GLN HG2  2.879 .  3.915 2.521 2.211  3.494     .  0  0 "[    .    1    .    2]" 1 
        689 1 42 GLN HE21 1 42 GLN HG3  2.713 .  3.633 3.052 2.225  3.486     .  0  0 "[    .    1    .    2]" 1 
        690 1 42 GLN HE21 1 48 THR MG   4.525 .  7.084 2.862 1.944  4.558 0.022 10  0 "[    .    1    .    2]" 1 
        691 1 42 GLN HE21 2 20 ILE MG   3.214 .  4.505 2.942 2.006  4.998 0.493 18  0 "[    .    1    .    2]" 1 
        692 1 42 GLN HE21 2 22 PRO HA   4.505 .  7.042 3.166 1.931  4.772 0.037 13  0 "[    .    1    .    2]" 1 
        693 1 42 GLN HE21 2 23 ALA H    3.940 .  5.880 3.826 2.009  5.259     .  0  0 "[    .    1    .    2]" 1 
        694 1 42 GLN HE22 2 15 LEU QD   3.193 .  4.467 3.279 2.636  4.540 0.073 20  0 "[    .    1    .    2]" 1 
        695 1 42 GLN HE22 2 22 PRO HA   3.365 .  4.781 3.115 2.170  5.116 0.335 15  0 "[    .    1    .    2]" 1 
        696 1 42 GLN HE22 2 23 ALA H    3.394 .  4.834 3.791 2.196  5.240 0.406 15  0 "[    .    1    .    2]" 1 
        697 1 42 GLN HG2  2 23 ALA MB   4.210 .  6.426 3.717 2.096  4.892     .  0  0 "[    .    1    .    2]" 1 
        698 1 42 GLN HG3  1 48 THR MG   2.816 .  3.807 3.330 1.510  4.445 0.638  4  1 "[   +.    1    .    2]" 1 
        699 1 42 GLN HG3  1 48 THR MG   2.538 .  3.343 2.404 1.491  3.054 0.242 15  0 "[    .    1    .    2]" 1 
        700 1 43 LEU H    1 43 LEU HB2  2.708 .  3.625 2.377 2.267  2.536     .  0  0 "[    .    1    .    2]" 1 
        701 1 43 LEU H    1 43 LEU HB3  2.776 .  3.739 3.248 2.452  3.463     .  0  0 "[    .    1    .    2]" 1 
        702 1 43 LEU H    1 43 LEU QD   3.386 .  4.819 3.264 2.438  3.647     .  0  0 "[    .    1    .    2]" 1 
        703 1 43 LEU HA   1 43 LEU HB3  2.878 .  3.913 2.634 2.451  3.018     .  0  0 "[    .    1    .    2]" 1 
        704 1 43 LEU HA   1 43 LEU QD   2.093 .  2.641 1.923 1.735  2.112     .  0  0 "[    .    1    .    2]" 1 
        705 1 43 LEU HA   1 52 ILE MD   3.125 .  4.345 2.984 2.468  3.301     .  0  0 "[    .    1    .    2]" 1 
        706 1 43 LEU HB2  1 43 LEU QD   2.378 .  3.085 2.226 2.094  2.316     .  0  0 "[    .    1    .    2]" 1 
        707 1 43 LEU HB2  1 43 LEU QD   2.423 .  3.157 1.979 1.897  2.046     .  0  0 "[    .    1    .    2]" 1 
        708 1 43 LEU HB2  1 43 LEU HG   2.710 .  3.628 2.593 2.429  3.019     .  0  0 "[    .    1    .    2]" 1 
        709 1 43 LEU HB2  1 44 THR H    3.221 .  4.518 3.369 3.049  4.217     .  0  0 "[    .    1    .    2]" 1 
        710 1 43 LEU HB3  1 43 LEU QD   2.620 .  3.478 2.152 2.098  2.564     .  0  0 "[    .    1    .    2]" 1 
        711 1 43 LEU MD1  1 43 LEU MD2  2.148 .  2.725 2.081 2.071  2.088     .  0  0 "[    .    1    .    2]" 1 
        712 1 43 LEU QD   1 52 ILE MD   2.223 .  2.841 2.008 1.856  2.403     .  0  0 "[    .    1    .    2]" 1 
        713 1 43 LEU QD   1 52 ILE MG   2.795 .  3.771 2.970 2.569  3.383     .  0  0 "[    .    1    .    2]" 1 
        714 1 44 THR H    1 44 THR MG   2.597 .  3.440 2.934 2.653  3.144     .  0  0 "[    .    1    .    2]" 1 
        715 1 44 THR H    1 45 ASP H    2.380 .  3.088 2.305 2.108  2.458     .  0  0 "[    .    1    .    2]" 1 
        716 1 44 THR H    1 45 ASP HB3  3.477 .  4.989 4.960 4.289  5.848 0.859 12  7 "[ *  .    **+**. -  2]" 1 
        717 1 44 THR H    2 29 HIS HE1  2.982 .  4.094 3.811 3.196  4.297 0.203 15  0 "[    .    1    .    2]" 1 
        718 1 44 THR HA   1 44 THR HB   2.132 .  2.700 2.552 2.496  2.599     .  0  0 "[    .    1    .    2]" 1 
        719 1 44 THR HA   1 44 THR MG   2.108 .  2.664 2.272 2.227  2.331     .  0  0 "[    .    1    .    2]" 1 
        720 1 44 THR HA   1 45 ASP H    2.632 .  3.498 2.668 2.627  2.692     .  0  0 "[    .    1    .    2]" 1 
        721 1 44 THR HB   1 44 THR MG   1.937 .  2.406 2.137 2.133  2.142     .  0  0 "[    .    1    .    2]" 1 
        722 1 44 THR MG   2 29 HIS HD2  4.234 .  6.475 5.240 2.634  6.660 0.185  3  0 "[    .    1    .    2]" 1 
        723 1 45 ASP H    1 45 ASP HB3  2.358 .  3.053 2.927 2.423  3.602 0.549 14  2 "[    .    1 - +.    2]" 1 
        724 1 45 ASP H    1 46 ALA H    4.709 .  7.481 4.580 4.526  4.627     .  0  0 "[    .    1    .    2]" 1 
        725 1 45 ASP H    1 48 THR HB   3.043 .  4.201 3.502 3.031  3.731     .  0  0 "[    .    1    .    2]" 1 
        726 1 45 ASP H    1 48 THR MG   4.709 .  7.481 4.368 3.889  4.588     .  0  0 "[    .    1    .    2]" 1 
        727 1 45 ASP H    1 49 SER H    3.760 .  5.527 3.900 3.525  4.183     .  0  0 "[    .    1    .    2]" 1 
        728 1 45 ASP H    1 49 SER HB3  3.416 .  4.875 4.120 3.257  5.385 0.510 17  1 "[    .    1    . +  2]" 1 
        729 1 45 ASP HA   1 46 ALA H    2.858 .  3.879 2.294 2.198  2.470     .  0  0 "[    .    1    .    2]" 1 
        730 1 45 ASP HB2  1 48 THR HB   2.469 .  3.231 2.977 2.146  3.411 0.180 16  0 "[    .    1    .    2]" 1 
        731 1 45 ASP HB3  1 46 ALA H    3.888 .  5.778 3.452 2.706  4.077     .  0  0 "[    .    1    .    2]" 1 
        732 1 45 ASP HB3  1 47 GLU H    4.893 .  7.886 4.188 3.447  4.834     .  0  0 "[    .    1    .    2]" 1 
        733 1 45 ASP HB3  1 48 THR H    3.055 .  4.222 3.038 2.509  3.298     .  0  0 "[    .    1    .    2]" 1 
        734 1 45 ASP HB3  1 48 THR HB   2.520 .  3.314 2.297 1.666  3.268 0.060  6  0 "[    .    1    .    2]" 1 
        735 1 45 ASP HB3  1 49 SER H    3.275 .  4.616 3.494 2.883  4.322     .  0  0 "[    .    1    .    2]" 1 
        736 1 46 ALA H    1 46 ALA MB   2.745 .  3.687 2.227 2.157  2.279     .  0  0 "[    .    1    .    2]" 1 
        737 1 46 ALA H    1 47 GLU H    3.432 .  4.904 2.963 2.770  3.125     .  0  0 "[    .    1    .    2]" 1 
        738 1 46 ALA HA   1 46 ALA MB   1.868 .  2.304 2.120 2.110  2.124     .  0  0 "[    .    1    .    2]" 1 
        739 1 46 ALA HA   1 47 GLU H    3.330 .  4.716 3.585 3.528  3.607     .  0  0 "[    .    1    .    2]" 1 
        740 1 46 ALA MB   1 47 GLU H    2.416 .  3.146 2.120 2.022  2.273     .  0  0 "[    .    1    .    2]" 1 
        741 1 46 ALA MB   1 47 GLU QG   3.145 .  4.382 4.191 4.031  4.522 0.140 16  0 "[    .    1    .    2]" 1 
        742 1 47 GLU H    1 47 GLU HA   2.547 .  3.358 2.848 2.807  2.884     .  0  0 "[    .    1    .    2]" 1 
        743 1 47 GLU H    1 48 THR H    2.579 .  3.410 2.579 2.401  2.775     .  0  0 "[    .    1    .    2]" 1 
        744 1 47 GLU HA   1 47 GLU QG   2.216 .  2.739 2.497 2.133  2.637     .  0  0 "[    .    1    .    2]" 1 
        745 1 47 GLU HA   1 48 THR H    3.405 .  4.854 3.392 3.350  3.452     .  0  0 "[    .    1    .    2]" 1 
        746 1 47 GLU HA   2 21 GLN HE21 4.012 .  6.024 5.192 3.709  6.848 0.824 12  1 "[    .    1 +  .    2]" 1 
        747 1 47 GLU QB   1 48 THR H    2.598 .  3.442 3.346 2.198  3.478 0.036 11  0 "[    .    1    .    2]" 1 
        748 1 47 GLU QG   2 15 LEU HB3  4.468 .  6.963 6.007 5.361  6.464     .  0  0 "[    .    1    .    2]" 1 
        749 1 48 THR H    1 48 THR HA   2.897 .  3.946 2.768 2.735  2.797     .  0  0 "[    .    1    .    2]" 1 
        750 1 48 THR H    1 48 THR HB   2.667 .  3.556 2.693 2.579  2.828     .  0  0 "[    .    1    .    2]" 1 
        751 1 48 THR H    1 48 THR MG   3.249 .  4.569 3.743 3.694  3.772     .  0  0 "[    .    1    .    2]" 1 
        752 1 48 THR H    1 51 LEU H    3.770 .  5.547 3.590 3.446  3.724     .  0  0 "[    .    1    .    2]" 1 
        753 1 48 THR H    1 51 LEU QD   4.709 .  7.481 4.205 4.016  4.414     .  0  0 "[    .    1    .    2]" 1 
        754 1 48 THR H    2 21 GLN H    3.042 .  4.199 4.275 3.871  4.374 0.175 15  0 "[    .    1    .    2]" 1 
        755 1 48 THR HA   1 48 THR MG   2.231 .  2.853 2.303 2.216  2.390     .  0  0 "[    .    1    .    2]" 1 
        756 1 48 THR HA   1 49 SER H    3.165 .  4.417 3.576 3.554  3.596     .  0  0 "[    .    1    .    2]" 1 
        757 1 48 THR HA   1 51 LEU QD   2.696 .  3.605 3.540 3.349  3.652 0.047 16  0 "[    .    1    .    2]" 1 
        758 1 48 THR HA   1 52 ILE H    3.689 .  5.390 4.279 4.019  4.769     .  0  0 "[    .    1    .    2]" 1 
        759 1 48 THR HA   2 20 ILE MD   3.123 .  4.342 2.688 1.809  3.055 0.095 13  0 "[    .    1    .    2]" 1 
        760 1 48 THR HA   2 20 ILE MD   3.118 .  4.333 2.380 1.787  2.770 0.116 13  0 "[    .    1    .    2]" 1 
        761 1 48 THR HB   1 48 THR MG   2.144 .  2.719 2.137 2.133  2.141     .  0  0 "[    .    1    .    2]" 1 
        762 1 48 THR HB   1 49 SER H    2.612 .  3.465 2.315 2.207  2.520     .  0  0 "[    .    1    .    2]" 1 
        763 1 48 THR HB   2 20 ILE MG   4.211 .  6.428 3.638 3.566  3.748     .  0  0 "[    .    1    .    2]" 1 
        764 1 48 THR MG   1 49 SER H    3.438 .  4.915 3.363 3.230  3.536     .  0  0 "[    .    1    .    2]" 1 
        765 1 48 THR MG   1 52 ILE MD   2.304 .  2.968 2.120 1.638  2.466 0.002 16  0 "[    .    1    .    2]" 1 
        766 1 48 THR MG   2 15 LEU QD   2.507 .  2.816 2.471 2.064  2.788     .  0  0 "[    .    1    .    2]" 1 
        767 1 48 THR MG   2 20 ILE MD   2.855 .  3.874 3.792 2.960  3.968 0.094  9  0 "[    .    1    .    2]" 1 
        768 1 48 THR MG   2 21 GLN H    4.117 .  6.236 4.029 3.719  4.290     .  0  0 "[    .    1    .    2]" 1 
        769 1 48 THR MG   2 20 ILE MG   2.239 .  2.866 1.960 1.826  2.092     .  0  0 "[    .    1    .    2]" 1 
        770 1 49 SER H    1 49 SER HA   2.617 .  3.473 2.815 2.786  2.848     .  0  0 "[    .    1    .    2]" 1 
        771 1 49 SER H    1 49 SER HB3  2.592 .  3.432 2.873 2.490  3.576 0.144 19  0 "[    .    1    .    2]" 1 
        772 1 49 SER H    1 50 LYS H    2.927 .  3.998 2.668 2.577  2.774     .  0  0 "[    .    1    .    2]" 1 
        773 1 49 SER H    1 51 LEU H    4.709 .  7.481 4.209 4.027  4.346     .  0  0 "[    .    1    .    2]" 1 
        774 1 49 SER HA   1 50 LYS H    2.967 .  4.067 3.531 3.499  3.589     .  0  0 "[    .    1    .    2]" 1 
        775 1 49 SER HA   1 52 ILE H    3.351 .  4.755 3.314 3.113  3.463     .  0  0 "[    .    1    .    2]" 1 
        776 1 49 SER HA   1 52 ILE HB   2.829 .  3.830 2.621 2.304  3.086     .  0  0 "[    .    1    .    2]" 1 
        777 1 49 SER HA   1 52 ILE MD   2.449 .  3.199 2.315 1.801  2.735     .  0  0 "[    .    1    .    2]" 1 
        778 1 49 SER HA   1 53 TYR H    3.982 .  5.964 3.906 3.706  4.171     .  0  0 "[    .    1    .    2]" 1 
        779 1 50 LYS H    1 50 LYS HA   2.857 .  3.877 2.803 2.775  2.830     .  0  0 "[    .    1    .    2]" 1 
        780 1 50 LYS H    1 51 LEU H    2.715 .  3.636 2.686 2.592  2.759     .  0  0 "[    .    1    .    2]" 1 
        781 1 50 LYS H    1 52 ILE H    2.966 .  4.066 3.763 3.691  3.848     .  0  0 "[    .    1    .    2]" 1 
        782 1 50 LYS HA   1 50 LYS HG2  2.665 .  3.553 3.094 2.812  3.278     .  0  0 "[    .    1    .    2]" 1 
        783 1 50 LYS HA   1 51 LEU H    3.169 .  4.425 3.527 3.476  3.554     .  0  0 "[    .    1    .    2]" 1 
        784 1 50 LYS HA   1 53 TYR H    3.737 .  5.483 3.579 3.258  3.946     .  0  0 "[    .    1    .    2]" 1 
        785 1 50 LYS HA   1 53 TYR HB2  3.412 .  4.867 3.801 3.210  4.662     .  0  0 "[    .    1    .    2]" 1 
        786 1 50 LYS HA   1 53 TYR HB3  2.658 .  3.541 2.988 2.367  3.423     .  0  0 "[    .    1    .    2]" 1 
        787 1 50 LYS HA   1 53 TYR QD   3.170 .  4.426 4.233 3.489  4.509 0.083  3  0 "[    .    1    .    2]" 1 
        788 1 50 LYS HA   1 53 TYR QE   4.143 .  6.289 5.633 4.984  6.025     .  0  0 "[    .    1    .    2]" 1 
        789 1 50 LYS HA   1 54 ASP H    3.737 .  5.483 4.092 3.809  4.378     .  0  0 "[    .    1    .    2]" 1 
        790 1 50 LYS HD2  1 50 LYS HE3  2.203 .  2.810 2.608 2.383  3.008 0.198  4  0 "[    .    1    .    2]" 1 
        791 1 50 LYS HD3  1 50 LYS HE3  2.299 .  2.959 2.801 2.419  3.014 0.055 18  0 "[    .    1    .    2]" 1 
        792 1 50 LYS HE3  1 50 LYS HG2  2.560 .  3.379 3.050 2.399  3.792 0.413  6  0 "[    .    1    .    2]" 1 
        793 1 50 LYS HE3  1 50 LYS HG3  2.426 .  3.161 2.731 2.287  3.694 0.533 19  1 "[    .    1    .   +2]" 1 
        794 1 50 LYS HG2  1 53 TYR QD   3.841 .  5.685 5.006 3.606  5.684     .  0  0 "[    .    1    .    2]" 1 
        795 1 50 LYS HG3  1 51 LEU H    3.427 .  4.895 4.822 4.715  4.958 0.063  1  0 "[    .    1    .    2]" 1 
        796 1 51 LEU H    1 51 LEU HA   2.883 .  3.922 2.866 2.822  2.898     .  0  0 "[    .    1    .    2]" 1 
        797 1 51 LEU H    1 51 LEU HB3  2.955 .  4.047 3.568 3.412  3.612     .  0  0 "[    .    1    .    2]" 1 
        798 1 51 LEU H    1 51 LEU QD   3.298 .  4.658 3.087 2.327  3.323     .  0  0 "[    .    1    .    2]" 1 
        799 1 51 LEU H    1 51 LEU QD   3.020 .  4.160 2.947 2.307  3.193     .  0  0 "[    .    1    .    2]" 1 
        800 1 51 LEU H    1 52 ILE H    2.742 .  3.682 2.512 2.377  2.667     .  0  0 "[    .    1    .    2]" 1 
        801 1 51 LEU H    1 53 TYR H    3.948 .  5.896 4.093 3.875  4.325     .  0  0 "[    .    1    .    2]" 1 
        802 1 51 LEU HA   1 51 LEU HB2  2.600 .  3.445 2.993 2.925  3.011     .  0  0 "[    .    1    .    2]" 1 
        803 1 51 LEU HA   1 51 LEU HB3  2.406 .  3.129 2.556 2.476  2.734     .  0  0 "[    .    1    .    2]" 1 
        804 1 51 LEU HA   1 51 LEU QD       . .  2.607 1.942 1.597  2.190 0.357  5  0 "[    .    1    .    2]" 1 
        805 1 51 LEU HA   1 51 LEU HG   2.483 .  3.254 2.967 2.510  3.510 0.256 10  0 "[    .    1    .    2]" 1 
        806 1 51 LEU HA   1 52 ILE H    3.679 .  5.370 3.532 3.496  3.567     .  0  0 "[    .    1    .    2]" 1 
        807 1 51 LEU HA   1 53 TYR H    4.709 .  7.481 4.303 4.079  4.533     .  0  0 "[    .    1    .    2]" 1 
        808 1 51 LEU HA   1 54 ASP H    3.090 .  4.284 3.079 2.726  3.511     .  0  0 "[    .    1    .    2]" 1 
        809 1 51 LEU HA   1 54 ASP HB2  3.199 .  4.478 3.032 2.348  3.786     .  0  0 "[    .    1    .    2]" 1 
        810 1 51 LEU HA   2 14 HIS HD2  4.305 .  6.621 4.163 3.708  4.815     .  0  0 "[    .    1    .    2]" 1 
        811 1 51 LEU HA   2 14 HIS HE1  4.535 .  7.106 6.144 5.309  6.570     .  0  0 "[    .    1    .    2]" 1 
        812 1 51 LEU HB2  1 51 LEU QD   2.749 .  2.779 2.226 2.100  2.319     .  0  0 "[    .    1    .    2]" 1 
        813 1 51 LEU HB2  1 52 ILE H    2.242 .  2.870 2.084 1.852  2.354     .  0  0 "[    .    1    .    2]" 1 
        814 1 51 LEU HB2  2 14 HIS HE1  5.756 .  9.897 7.444 6.710  7.742     .  0  0 "[    .    1    .    2]" 1 
        815 1 51 LEU HB2  2 15 LEU QD   3.094 .  3.472 2.350 1.869  2.779 0.028 15  0 "[    .    1    .    2]" 1 
        816 1 51 LEU HB3  1 51 LEU QD   2.475 .  3.241 2.156 2.078  2.472     .  0  0 "[    .    1    .    2]" 1 
        817 1 51 LEU HB3  1 52 ILE H    3.112 .  4.322 3.699 3.037  3.943     .  0  0 "[    .    1    .    2]" 1 
        818 1 51 LEU HB3  1 55 PHE H    5.286 .  8.778 4.490 4.375  4.668     .  0  0 "[    .    1    .    2]" 1 
        819 1 51 LEU HB3  2 14 HIS HE1  4.843 .  7.775 5.746 5.018  6.119     .  0  0 "[    .    1    .    2]" 1 
        820 1 51 LEU HB3  2 15 LEU QD   2.929 .  3.705 2.547 2.003  2.857     .  0  0 "[    .    1    .    2]" 1 
        821 1 51 LEU MD1  1 51 LEU MD2  1.879 .  2.320 2.077 2.053  2.096     .  0  0 "[    .    1    .    2]" 1 
        822 1 51 LEU QD   1 51 LEU HG   2.142 .  2.654 1.890 1.878  1.894     .  0  0 "[    .    1    .    2]" 1 
        823 1 51 LEU QD   1 53 TYR H    4.058 .  6.117 4.262 4.089  4.402     .  0  0 "[    .    1    .    2]" 1 
        824 1 51 LEU QD   1 53 TYR H    3.387 .  4.821 4.195 4.002  4.312     .  0  0 "[    .    1    .    2]" 1 
        825 1 51 LEU QD   1 55 PHE H    3.922 .  5.845 4.017 3.752  4.316     .  0  0 "[    .    1    .    2]" 1 
        826 1 51 LEU QD   1 55 PHE H    4.033 .  6.066 3.980 3.741  4.217     .  0  0 "[    .    1    .    2]" 1 
        827 1 51 LEU QD   2 18 HIS HD2  2.914 .  3.975 2.486 1.807  3.052 0.046 17  0 "[    .    1    .    2]" 1 
        828 1 51 LEU QD   2 14 HIS HE1  3.456 .  4.949 4.502 3.915  4.837     .  0  0 "[    .    1    .    2]" 1 
        829 1 51 LEU QD   2 14 HIS HE1  4.063 .  6.127 4.379 3.859  4.676     .  0  0 "[    .    1    .    2]" 1 
        830 1 51 LEU QD   2 15 LEU HA   3.975 .  5.580 3.247 2.045  4.009     .  0  0 "[    .    1    .    2]" 1 
        831 1 51 LEU QD   2 15 LEU QD   2.536 .  3.340 2.834 1.921  3.195 0.002 19  0 "[    .    1    .    2]" 1 
        832 1 51 LEU QD   2 17 GLU H    4.709 .  7.481 4.543 3.938  5.039     .  0  0 "[    .    1    .    2]" 1 
        833 1 51 LEU QD   2 18 HIS H    3.476 .  4.986 3.952 3.409  4.355     .  0  0 "[    .    1    .    2]" 1 
        834 1 51 LEU QD   2 19 GLY H    4.661 .  7.377 4.210 3.075  5.192     .  0  0 "[    .    1    .    2]" 1 
        835 1 51 LEU QD   2 18 HIS HB2  2.957 .  4.050 2.320 1.830  3.040 0.166 17  0 "[    .    1    .    2]" 1 
        836 1 51 LEU QD   2 18 HIS HB3  3.062 .  4.234 2.638 2.260  2.970     .  0  0 "[    .    1    .    2]" 1 
        837 1 51 LEU QD   2 18 HIS HD2  3.643 .  5.302 2.532 1.811  3.210 0.189 17  0 "[    .    1    .    2]" 1 
        838 1 51 LEU QD   2 18 HIS HE1  4.076 .  4.889 3.682 3.025  4.410     .  0  0 "[    .    1    .    2]" 1 
        839 1 51 LEU QD   2 20 ILE H    2.750 .  3.695 3.476 3.422  3.635     .  0  0 "[    .    1    .    2]" 1 
        840 1 51 LEU QD   2 20 ILE MD   3.597 .  3.877 1.614 1.307  1.959 0.673  3  4 "[ *+ .    1  - .    *]" 1 
        841 1 51 LEU QD   2 20 ILE HG12 3.764 .  5.535 3.236 2.289  3.673     .  0  0 "[    .    1    .    2]" 1 
        842 1 51 LEU QD   2 20 ILE HG13 4.217 .  6.440 2.910 1.628  3.399 0.366 17  0 "[    .    1    .    2]" 1 
        843 1 51 LEU HG   2 14 HIS HE1  5.994 . 10.485 7.455 3.923  8.140     .  0  0 "[    .    1    .    2]" 1 
        844 1 52 ILE H    1 52 ILE HA   2.918 .  3.983 2.811 2.773  2.872     .  0  0 "[    .    1    .    2]" 1 
        845 1 52 ILE H    1 52 ILE MD   2.818 .  3.811 3.602 3.431  3.732     .  0  0 "[    .    1    .    2]" 1 
        846 1 52 ILE H    1 52 ILE MG   3.033 .  4.183 3.767 3.744  3.786     .  0  0 "[    .    1    .    2]" 1 
        847 1 52 ILE H    1 53 TYR H    2.909 .  3.967 2.728 2.495  2.853     .  0  0 "[    .    1    .    2]" 1 
        848 1 52 ILE H    2 15 LEU QD   2.541 .  3.348 2.950 2.593  3.295     .  0  0 "[    .    1    .    2]" 1 
        849 1 52 ILE HA   1 52 ILE MD   2.891 .  3.936 3.802 3.745  3.869     .  0  0 "[    .    1    .    2]" 1 
        850 1 52 ILE HA   1 52 ILE HG13 2.821 .  3.816 3.021 2.869  3.181     .  0  0 "[    .    1    .    2]" 1 
        851 1 52 ILE HA   1 52 ILE MG   2.369 .  3.071 2.392 2.296  2.476     .  0  0 "[    .    1    .    2]" 1 
        852 1 52 ILE HA   1 53 TYR H    4.183 .  6.370 3.556 3.531  3.581     .  0  0 "[    .    1    .    2]" 1 
        853 1 52 ILE HA   1 55 PHE H    3.475 .  4.984 3.290 2.999  3.446     .  0  0 "[    .    1    .    2]" 1 
        854 1 52 ILE HA   1 56 ILE H    4.117 .  6.235 4.120 3.847  4.283     .  0  0 "[    .    1    .    2]" 1 
        855 1 52 ILE HA   2 11 LEU QD   2.536 .  3.340 2.316 2.101  2.735     .  0  0 "[    .    1    .    2]" 1 
        856 1 52 ILE HA   2 14 HIS HD2  3.806 .  5.616 3.702 3.513  3.820     .  0  0 "[    .    1    .    2]" 1 
        857 1 52 ILE HA   2 15 LEU QD   3.326 .  4.709 3.035 2.444  3.532     .  0  0 "[    .    1    .    2]" 1 
        858 1 52 ILE HB   1 52 ILE MD   2.531 .  3.332 2.396 2.334  2.439     .  0  0 "[    .    1    .    2]" 1 
        859 1 52 ILE HB   1 52 ILE MG   2.293 .  2.950 2.127 2.123  2.130     .  0  0 "[    .    1    .    2]" 1 
        860 1 52 ILE HB   1 55 PHE H    3.422 .  4.886 4.145 3.935  4.295     .  0  0 "[    .    1    .    2]" 1 
        861 1 52 ILE MD   1 52 ILE HG12 2.286 .  2.939 2.108 2.096  2.115     .  0  0 "[    .    1    .    2]" 1 
        862 1 52 ILE MD   1 52 ILE HG13 2.326 .  3.002 2.110 2.099  2.117     .  0  0 "[    .    1    .    2]" 1 
        863 1 52 ILE MD   1 52 ILE MG   2.131 .  2.699 1.951 1.853  2.040     .  0  0 "[    .    1    .    2]" 1 
        864 1 52 ILE MD   2 11 LEU QD   3.219 .  3.854 2.889 2.460  3.078     .  0  0 "[    .    1    .    2]" 1 
        865 1 52 ILE MD   2 15 LEU QD   2.537 .  3.341 2.804 2.609  3.047     .  0  0 "[    .    1    .    2]" 1 
        866 1 52 ILE HG12 1 52 ILE MG   3.425 .  4.891 2.397 2.307  2.455     .  0  0 "[    .    1    .    2]" 1 
        867 1 52 ILE HG12 2 11 LEU QD   4.116 .  6.233 2.129 1.787  2.436 0.212 12  0 "[    .    1    .    2]" 1 
        868 1 52 ILE HG12 2 15 LEU QD   3.190 .  4.462 2.173 2.011  2.536     .  0  0 "[    .    1    .    2]" 1 
        869 1 52 ILE HG13 2 11 LEU QD   3.978 .  5.956 3.450 3.072  3.738     .  0  0 "[    .    1    .    2]" 1 
        870 1 52 ILE HG13 2 15 LEU QD   3.116 .  4.125 2.327 2.032  2.569     .  0  0 "[    .    1    .    2]" 1 
        871 1 52 ILE MG   1 53 TYR H    3.390 .  4.827 3.308 3.139  3.558     .  0  0 "[    .    1    .    2]" 1 
        872 1 52 ILE MG   1 53 TYR HA   3.256 .  4.581 3.368 3.164  3.640     .  0  0 "[    .    1    .    2]" 1 
        873 1 52 ILE MG   1 53 TYR QD   3.385 .  4.817 4.871 4.663  4.986 0.169 18  0 "[    .    1    .    2]" 1 
        874 1 52 ILE MG   1 55 PHE H    5.286 .  8.778 4.487 4.280  4.698     .  0  0 "[    .    1    .    2]" 1 
        875 1 52 ILE MG   1 55 PHE QD   2.900 .  3.951 3.170 2.830  3.521     .  0  0 "[    .    1    .    2]" 1 
        876 1 52 ILE MG   1 56 ILE MD   2.510 .  3.298 2.395 2.128  2.620     .  0  0 "[    .    1    .    2]" 1 
        877 1 52 ILE MG   2 11 LEU QD   2.638 .  3.355 2.053 1.764  2.307 0.004  4  0 "[    .    1    .    2]" 1 
        878 1 52 ILE MG   2 14 HIS HD2  3.685 .  5.382 5.417 5.235  5.486 0.104  3  0 "[    .    1    .    2]" 1 
        879 1 53 TYR H    1 53 TYR QD   3.756 .  5.519 4.177 4.094  4.227     .  0  0 "[    .    1    .    2]" 1 
        880 1 53 TYR HA   1 53 TYR HB2  2.746 .  3.688 2.454 2.357  2.561     .  0  0 "[    .    1    .    2]" 1 
        881 1 53 TYR HA   1 53 TYR HB3  2.610 .  3.462 3.024 3.011  3.030     .  0  0 "[    .    1    .    2]" 1 
        882 1 53 TYR HA   1 53 TYR QD   2.639 .  3.510 2.473 2.153  2.623     .  0  0 "[    .    1    .    2]" 1 
        883 1 53 TYR HA   1 53 TYR QE   3.386 .  4.819 4.515 4.328  4.641     .  0  0 "[    .    1    .    2]" 1 
        884 1 53 TYR HA   1 54 ASP H    3.770 .  5.546 3.533 3.516  3.553     .  0  0 "[    .    1    .    2]" 1 
        885 1 53 TYR HA   1 56 ILE H    3.077 .  4.261 3.256 2.945  3.538     .  0  0 "[    .    1    .    2]" 1 
        886 1 53 TYR HA   1 56 ILE HB   2.713 .  3.633 2.762 2.368  3.286     .  0  0 "[    .    1    .    2]" 1 
        887 1 53 TYR HA   1 56 ILE MD   2.609 .  3.460 2.428 2.154  2.831     .  0  0 "[    .    1    .    2]" 1 
        888 1 53 TYR HB2  1 53 TYR QD   2.588 .  3.425 2.582 2.509  2.700     .  0  0 "[    .    1    .    2]" 1 
        889 1 53 TYR HB2  2 14 HIS HE1  5.617 .  9.561 6.834 5.786  8.256     .  0  0 "[    .    1    .    2]" 1 
        890 1 53 TYR HB3  1 53 TYR QD   2.602 .  3.448 2.286 2.260  2.309     .  0  0 "[    .    1    .    2]" 1 
        891 1 53 TYR HB3  1 54 ASP H    2.769 .  3.728 2.523 2.331  2.724     .  0  0 "[    .    1    .    2]" 1 
        892 1 53 TYR QD   1 54 ASP H    3.520 .  5.069 3.644 3.251  4.078     .  0  0 "[    .    1    .    2]" 1 
        893 1 53 TYR QD   1 54 ASP HA   3.253 .  4.576 4.012 3.577  4.577 0.001 19  0 "[    .    1    .    2]" 1 
        894 1 53 TYR QD   1 56 ILE MD   3.058 .  4.227 3.100 2.455  3.676     .  0  0 "[    .    1    .    2]" 1 
        895 1 53 TYR QD   1 56 ILE MG   3.640 .  5.296 4.107 3.261  4.988     .  0  0 "[    .    1    .    2]" 1 
        896 1 53 TYR QD   1 65 VAL QG   4.643 .  7.337 5.734 5.291  6.048     .  0  0 "[    .    1    .    2]" 1 
        897 1 53 TYR QE   1 54 ASP HA   3.906 .  5.814 5.141 4.415  5.839 0.025  2  0 "[    .    1    .    2]" 1 
        898 1 53 TYR QE   1 57 GLU HA   4.254 .  6.516 4.989 4.526  5.460     .  0  0 "[    .    1    .    2]" 1 
        899 1 54 ASP H    1 54 ASP HA   2.815 .  3.806 2.792 2.759  2.836     .  0  0 "[    .    1    .    2]" 1 
        900 1 54 ASP H    1 54 ASP HB2  2.657 .  3.539 2.630 2.310  2.796     .  0  0 "[    .    1    .    2]" 1 
        901 1 54 ASP H    1 54 ASP HB3  2.725 .  3.653 2.389 2.202  2.732     .  0  0 "[    .    1    .    2]" 1 
        902 1 54 ASP H    1 55 PHE H    3.069 .  4.246 2.691 2.489  2.774     .  0  0 "[    .    1    .    2]" 1 
        903 1 54 ASP H    1 56 ILE H    4.709 .  7.481 4.286 4.134  4.593     .  0  0 "[    .    1    .    2]" 1 
        904 1 54 ASP HA   1 54 ASP HB2  2.593 .  3.433 2.400 2.326  2.594     .  0  0 "[    .    1    .    2]" 1 
        905 1 54 ASP HA   1 54 ASP HB3  2.466 .  3.226 3.020 3.001  3.033     .  0  0 "[    .    1    .    2]" 1 
        906 1 54 ASP HA   1 55 PHE H    3.505 .  5.040 3.504 3.453  3.534     .  0  0 "[    .    1    .    2]" 1 
        907 1 54 ASP HA   1 57 GLU HB2  2.619 .  3.476 3.091 2.098  3.575 0.099 17  0 "[    .    1    .    2]" 1 
        908 1 54 ASP HA   1 57 GLU HB3  3.291 .  4.644 3.326 2.622  4.081     .  0  0 "[    .    1    .    2]" 1 
        909 1 54 ASP HA   1 58 ASP H    3.601 .  5.222 4.057 3.730  4.584     .  0  0 "[    .    1    .    2]" 1 
        910 1 54 ASP HB2  1 55 PHE H    3.004 .  4.132 3.929 3.767  4.051     .  0  0 "[    .    1    .    2]" 1 
        911 1 54 ASP HB2  2 14 HIS HE1  4.638 .  7.327 6.241 5.751  7.196     .  0  0 "[    .    1    .    2]" 1 
        912 1 54 ASP HB3  1 55 PHE H    2.732 .  3.665 2.639 2.463  2.826     .  0  0 "[    .    1    .    2]" 1 
        913 1 54 ASP HB3  2 14 HIS HE1  4.185 .  6.374 5.174 4.637  5.571     .  0  0 "[    .    1    .    2]" 1 
        914 1 55 PHE H    1 55 PHE HA   2.952 .  4.042 2.794 2.761  2.837     .  0  0 "[    .    1    .    2]" 1 
        915 1 55 PHE H    1 55 PHE HB2  2.701 .  3.613 2.679 2.593  2.783     .  0  0 "[    .    1    .    2]" 1 
        916 1 55 PHE H    1 55 PHE HB3  2.641 .  3.513 2.303 2.230  2.384     .  0  0 "[    .    1    .    2]" 1 
        917 1 55 PHE H    1 55 PHE QD   3.619 .  5.256 4.103 4.039  4.148     .  0  0 "[    .    1    .    2]" 1 
        918 1 55 PHE H    1 56 ILE H    2.903 .  3.956 2.762 2.578  2.891     .  0  0 "[    .    1    .    2]" 1 
        919 1 55 PHE H    1 57 GLU H    3.208 .  4.495 4.004 3.871  4.264     .  0  0 "[    .    1    .    2]" 1 
        920 1 55 PHE H    1 57 GLU HB3  4.148 .  6.298 5.793 5.167  6.463 0.165  5  0 "[    .    1    .    2]" 1 
        921 1 55 PHE H    1 58 ASP H    3.579 .  5.180 3.755 3.622  3.862     .  0  0 "[    .    1    .    2]" 1 
        922 1 55 PHE HA   1 55 PHE HB2  2.486 .  3.259 2.366 2.348  2.400     .  0  0 "[    .    1    .    2]" 1 
        923 1 55 PHE HA   1 55 PHE QD   2.468 .  3.229 2.874 2.716  3.018     .  0  0 "[    .    1    .    2]" 1 
        924 1 55 PHE HA   1 55 PHE QE   3.580 .  5.182 4.801 4.706  4.888     .  0  0 "[    .    1    .    2]" 1 
        925 1 55 PHE HA   1 58 ASP H    2.981 .  4.092 3.474 3.312  3.618     .  0  0 "[    .    1    .    2]" 1 
        926 1 55 PHE HA   1 58 ASP HB2  2.452 .  3.204 3.225 2.780  3.604 0.400 13  0 "[    .    1    .    2]" 1 
        927 1 55 PHE HA   1 58 ASP HB3  2.687 .  3.590 2.610 2.293  3.181     .  0  0 "[    .    1    .    2]" 1 
        928 1 55 PHE HA   1 59 GLN HE22 5.123 .  8.404 3.683 3.136  4.067     .  0  0 "[    .    1    .    2]" 1 
        929 1 55 PHE HA   2 14 HIS HD2  3.742 .  5.492 3.732 3.063  4.491     .  0  0 "[    .    1    .    2]" 1 
        930 1 55 PHE HA   2 14 HIS HE1  4.386 .  6.791 3.968 2.968  5.172     .  0  0 "[    .    1    .    2]" 1 
        931 1 55 PHE HB2  1 55 PHE QD   2.636 .  3.504 2.443 2.386  2.510     .  0  0 "[    .    1    .    2]" 1 
        932 1 55 PHE HB2  1 56 ILE H    3.208 .  4.495 3.842 3.749  3.917     .  0  0 "[    .    1    .    2]" 1 
        933 1 55 PHE HB2  2 11 LEU QD   3.356 .  4.764 2.877 2.596  3.166     .  0  0 "[    .    1    .    2]" 1 
        934 1 55 PHE HB2  2 14 HIS HD2  2.928 .  3.999 2.178 1.826  2.752 0.031  1  0 "[    .    1    .    2]" 1 
        935 1 55 PHE HB2  2 14 HIS HE1  4.366 .  6.749 4.803 3.898  5.549     .  0  0 "[    .    1    .    2]" 1 
        936 1 55 PHE HB2  2 18 HIS HE1  5.519 .  9.326 6.845 5.894  7.609     .  0  0 "[    .    1    .    2]" 1 
        937 1 55 PHE HB3  1 56 ILE H    2.694 .  3.601 2.443 2.296  2.553     .  0  0 "[    .    1    .    2]" 1 
        938 1 55 PHE HB3  2 11 LEU QD   3.144 .  4.380 2.772 2.487  3.133     .  0  0 "[    .    1    .    2]" 1 
        939 1 55 PHE HB3  2 14 HIS HD2  3.929 .  5.858 3.577 3.209  4.029     .  0  0 "[    .    1    .    2]" 1 
        940 1 55 PHE QD   2 14 HIS HB2  4.110 .  6.221 2.520 2.254  2.880     .  0  0 "[    .    1    .    2]" 1 
        941 1 55 PHE QD   1 56 ILE H    3.601 .  5.222 2.843 2.541  3.041     .  0  0 "[    .    1    .    2]" 1 
        942 1 55 PHE QD   1 56 ILE MD   2.672 .  3.564 3.656 3.576  3.702 0.138 15  0 "[    .    1    .    2]" 1 
        943 1 55 PHE QD   2 11 LEU HA   2.974 .  4.080 3.279 2.999  3.661     .  0  0 "[    .    1    .    2]" 1 
        944 1 55 PHE QD   2 11 LEU QD       . .  3.320 2.605 2.249  2.912     .  0  0 "[    .    1    .    2]" 1 
        945 1 55 PHE QD   2 14 HIS HA   5.269 .  8.739 4.924 4.660  5.356     .  0  0 "[    .    1    .    2]" 1 
        946 1 55 PHE QD   2 14 HIS HD2  4.943 .  7.997 3.693 2.808  4.265     .  0  0 "[    .    1    .    2]" 1 
        947 1 55 PHE QD   2 14 HIS HE1  4.230 .  6.466 4.734 3.752  5.601     .  0  0 "[    .    1    .    2]" 1 
        948 1 55 PHE QE   2 10 ARG HB3  4.881 .  7.859 2.678 1.934  3.600     .  0  0 "[    .    1    .    2]" 1 
        949 1 55 PHE QE   1 56 ILE HA   2.995 .  4.117 4.028 3.693  4.152 0.035  3  0 "[    .    1    .    2]" 1 
        950 1 55 PHE QE   1 59 GLN HA   3.894 .  5.789 4.891 4.579  5.219     .  0  0 "[    .    1    .    2]" 1 
        951 1 55 PHE QE   1 59 GLN HE21 4.112 .  6.225 3.351 2.594  4.946     .  0  0 "[    .    1    .    2]" 1 
        952 1 55 PHE QE   2  7 VAL HA   3.500 .  5.031 4.427 3.488  5.069 0.038 16  0 "[    .    1    .    2]" 1 
        953 1 55 PHE QE   2  7 VAL QG       . .  3.158 2.291 2.026  2.475     .  0  0 "[    .    1    .    2]" 1 
        954 1 55 PHE QE   2 10 ARG H    4.058 .  6.116 4.690 4.291  5.314     .  0  0 "[    .    1    .    2]" 1 
        955 1 55 PHE QE   2 10 ARG HA   3.700 .  5.411 4.121 3.685  4.469     .  0  0 "[    .    1    .    2]" 1 
        956 1 55 PHE QE   2 10 ARG HB2  3.705 .  5.421 1.599 1.111  3.163 0.878  2 10 "[ +* * -* 1** **    *]" 1 
        957 1 55 PHE QE   2 10 ARG HD3  3.850 .  5.703 3.758 2.556  4.539     .  0  0 "[    .    1    .    2]" 1 
        958 1 55 PHE QE   2 11 LEU HA   2.791 .  3.765 3.076 2.720  3.491     .  0  0 "[    .    1    .    2]" 1 
        959 1 55 PHE QE   2 11 LEU HB2  3.854 .  5.710 3.576 2.644  4.465     .  0  0 "[    .    1    .    2]" 1 
        960 1 55 PHE QE   2 11 LEU QD       . .  4.066 2.904 2.740  3.139     .  0  0 "[    .    1    .    2]" 1 
        961 1 55 PHE HZ   1 59 GLN HE21 3.449 .  4.936 4.311 3.392  5.029 0.093 13  0 "[    .    1    .    2]" 1 
        962 1 55 PHE HZ   1 59 GLN HE21 4.191 .  6.386 3.914 3.301  4.448     .  0  0 "[    .    1    .    2]" 1 
        963 1 55 PHE HZ   1 59 GLN HE22 3.433 .  4.906 4.671 3.882  4.995 0.089  2  0 "[    .    1    .    2]" 1 
        964 1 55 PHE HZ   1 59 GLN HG3  2.900 .  3.951 3.256 2.831  4.666 0.715 16  1 "[    .    1    .+   2]" 1 
        965 1 55 PHE HZ   1 65 VAL QG   3.269 .  4.605 3.385 3.177  3.574     .  0  0 "[    .    1    .    2]" 1 
        966 1 55 PHE HZ   2  7 VAL HA   3.078 .  4.262 3.281 2.055  4.101     .  0  0 "[    .    1    .    2]" 1 
        967 1 55 PHE HZ   2  7 VAL QG   2.584 .  3.419 1.699 1.635  1.861 0.364 10  0 "[    .    1    .    2]" 1 
        968 1 55 PHE HZ   2  8 ALA HA   4.199 .  6.403 4.925 4.276  5.578     .  0  0 "[    .    1    .    2]" 1 
        969 1 55 PHE HZ   2 10 ARG HA   3.454 .  4.946 5.000 4.842  5.076 0.130  2  0 "[    .    1    .    2]" 1 
        970 1 55 PHE HZ   2 10 ARG HB2  4.350 .  6.715 3.008 2.456  3.643     .  0  0 "[    .    1    .    2]" 1 
        971 1 55 PHE HZ   2 10 ARG HB3  3.956 .  5.913 2.641 2.185  3.117     .  0  0 "[    .    1    .    2]" 1 
        972 1 55 PHE HZ   2 10 ARG HD3  3.859 .  5.721 4.905 2.747  5.925 0.204  4  0 "[    .    1    .    2]" 1 
        973 1 55 PHE HZ   2 10 ARG QG   3.046 .  4.206 3.137 2.466  4.067     .  0  0 "[    .    1    .    2]" 1 
        974 1 55 PHE HZ   2 11 LEU HA   3.325 .  4.707 3.949 3.603  4.231     .  0  0 "[    .    1    .    2]" 1 
        975 1 56 ILE H    1 56 ILE HA   2.668 .  3.558 2.798 2.778  2.821     .  0  0 "[    .    1    .    2]" 1 
        976 1 56 ILE H    1 56 ILE MD   3.158 .  4.404 3.472 3.423  3.533     .  0  0 "[    .    1    .    2]" 1 
        977 1 56 ILE H    1 56 ILE HG12 2.851 .  3.867 3.346 3.183  3.544     .  0  0 "[    .    1    .    2]" 1 
        978 1 56 ILE H    1 56 ILE HG13 2.172 .  2.762 2.036 1.906  2.192     .  0  0 "[    .    1    .    2]" 1 
        979 1 56 ILE H    1 56 ILE MG   3.004 .  4.132 3.739 3.721  3.752     .  0  0 "[    .    1    .    2]" 1 
        980 1 56 ILE HA   1 56 ILE HB   2.933 .  4.008 3.021 3.012  3.027     .  0  0 "[    .    1    .    2]" 1 
        981 1 56 ILE HA   1 56 ILE MD   2.791 .  3.765 3.812 3.794  3.833 0.068  7  0 "[    .    1    .    2]" 1 
        982 1 56 ILE HA   1 56 ILE HG12 2.776 .  3.740 2.503 2.470  2.562     .  0  0 "[    .    1    .    2]" 1 
        983 1 56 ILE HA   1 56 ILE MG   2.327 .  3.004 2.432 2.347  2.515     .  0  0 "[    .    1    .    2]" 1 
        984 1 56 ILE HA   1 57 GLU H    3.839 .  5.682 3.532 3.499  3.559     .  0  0 "[    .    1    .    2]" 1 
        985 1 56 ILE HA   1 59 GLN H    3.784 .  5.574 3.508 3.369  3.834     .  0  0 "[    .    1    .    2]" 1 
        986 1 56 ILE HA   1 65 VAL QG   3.004 .  4.132 2.240 1.942  2.714     .  0  0 "[    .    1    .    2]" 1 
        987 1 56 ILE HB   1 56 ILE MD   2.400 .  3.120 2.412 2.382  2.447     .  0  0 "[    .    1    .    2]" 1 
        988 1 56 ILE HB   1 56 ILE MG   2.164 .  2.749 2.129 2.125  2.134     .  0  0 "[    .    1    .    2]" 1 
        989 1 56 ILE MD   1 56 ILE HG12 2.172 .  2.762 2.111 2.107  2.116     .  0  0 "[    .    1    .    2]" 1 
        990 1 56 ILE MD   1 56 ILE HG13 2.315 .  2.985 2.114 2.112  2.119     .  0  0 "[    .    1    .    2]" 1 
        991 1 56 ILE HG12 1 56 ILE MG   2.605 .  3.453 2.356 2.331  2.385     .  0  0 "[    .    1    .    2]" 1 
        992 1 56 ILE HG13 1 56 ILE MG   2.646 .  3.521 3.200 3.192  3.208     .  0  0 "[    .    1    .    2]" 1 
        993 1 56 ILE MG   1 57 GLU H    3.023 .  4.165 3.398 3.184  3.612     .  0  0 "[    .    1    .    2]" 1 
        994 1 56 ILE MG   1 59 GLN H    4.709 .  7.481 4.609 4.497  4.747     .  0  0 "[    .    1    .    2]" 1 
        995 1 56 ILE MG   1 61 GLY H    3.305 .  4.670 3.502 3.013  3.863     .  0  0 "[    .    1    .    2]" 1 
        996 1 56 ILE MG   1 61 GLY HA2  2.716 .  3.638 2.841 2.105  3.524     .  0  0 "[    .    1    .    2]" 1 
        997 1 56 ILE MG   1 61 GLY HA3  3.096 .  4.294 4.028 3.523  4.393 0.099 12  0 "[    .    1    .    2]" 1 
        998 1 56 ILE MG   1 62 LEU H    2.998 .  4.121 3.306 2.870  3.738     .  0  0 "[    .    1    .    2]" 1 
        999 1 56 ILE MG   1 62 LEU HA   2.464 .  3.223 2.222 1.813  2.502     .  0  0 "[    .    1    .    2]" 1 
       1000 1 56 ILE MG   1 62 LEU HB3  3.024 .  4.167 4.018 3.419  4.322 0.155 13  0 "[    .    1    .    2]" 1 
       1001 1 56 ILE MG   1 62 LEU QD   2.219 .  2.835 1.714 1.530  2.018 0.073  1  0 "[    .    1    .    2]" 1 
       1002 1 56 ILE MG   1 65 VAL HB   3.400 .  4.845 3.709 2.791  4.861 0.016  2  0 "[    .    1    .    2]" 1 
       1003 1 57 GLU H    1 58 ASP H    2.703 .  3.616 2.611 2.438  2.826     .  0  0 "[    .    1    .    2]" 1 
       1004 1 57 GLU H    1 59 GLN H    3.074 .  4.256 4.129 3.984  4.328 0.072  1  0 "[    .    1    .    2]" 1 
       1005 1 57 GLU HA   1 57 GLU HG2  2.885 .  3.925 2.996 2.277  3.775     .  0  0 "[    .    1    .    2]" 1 
       1006 1 57 GLU HA   1 57 GLU HG3  2.856 .  3.876 2.996 2.363  3.753     .  0  0 "[    .    1    .    2]" 1 
       1007 1 57 GLU HA   1 58 ASP H    3.079 .  4.264 3.508 3.407  3.550     .  0  0 "[    .    1    .    2]" 1 
       1008 1 57 GLU HA   1 61 GLY H    2.760 .  3.712 3.166 2.532  3.647     .  0  0 "[    .    1    .    2]" 1 
       1009 1 57 GLU HA   1 61 GLY HA2  2.816 .  3.807 2.729 2.188  3.069     .  0  0 "[    .    1    .    2]" 1 
       1010 1 57 GLU HA   1 61 GLY HA3  3.030 .  4.177 4.207 3.863  4.330 0.153 14  0 "[    .    1    .    2]" 1 
       1011 1 57 GLU HB3  1 60 GLY H    3.848 .  5.699 4.130 3.867  4.459     .  0  0 "[    .    1    .    2]" 1 
       1012 1 57 GLU HB3  1 61 GLY H    3.716 .  5.442 4.518 4.254  5.147     .  0  0 "[    .    1    .    2]" 1 
       1013 1 57 GLU HB3  1 58 ASP H    2.383 .  3.093 2.940 2.508  3.461 0.368  5  0 "[    .    1    .    2]" 1 
       1014 1 58 ASP H    1 58 ASP HA   2.658 .  3.541 2.795 2.752  2.845     .  0  0 "[    .    1    .    2]" 1 
       1015 1 58 ASP H    1 58 ASP HB2  2.508 .  3.294 2.544 2.424  2.671     .  0  0 "[    .    1    .    2]" 1 
       1016 1 58 ASP H    1 58 ASP HB3  2.633 .  3.499 2.487 2.391  2.635     .  0  0 "[    .    1    .    2]" 1 
       1017 1 58 ASP H    1 59 GLN H    2.961 .  4.057 2.709 2.575  2.836     .  0  0 "[    .    1    .    2]" 1 
       1018 1 58 ASP HA   1 58 ASP HB2  2.322 .  2.996 2.436 2.384  2.507     .  0  0 "[    .    1    .    2]" 1 
       1019 1 58 ASP HA   1 58 ASP HB3  2.215 .  2.828 3.020 3.005  3.026 0.198  3  0 "[    .    1    .    2]" 1 
       1020 1 58 ASP HA   1 59 GLN H    3.396 .  4.838 3.514 3.492  3.544     .  0  0 "[    .    1    .    2]" 1 
       1021 1 58 ASP HA   1 60 GLY H    2.584 .  3.419 2.861 2.817  2.896     .  0  0 "[    .    1    .    2]" 1 
       1022 1 58 ASP HB2  1 59 GLN H    3.405 .  4.854 3.999 3.796  4.130     .  0  0 "[    .    1    .    2]" 1 
       1023 1 58 ASP HB2  1 59 GLN HE21 4.265 .  6.538 5.013 4.081  6.966 0.428  2  0 "[    .    1    .    2]" 1 
       1024 1 58 ASP HB2  1 59 GLN HE22 4.451 .  6.927 5.427 3.915  6.636     .  0  0 "[    .    1    .    2]" 1 
       1025 1 58 ASP HB2  2 14 HIS HD2  5.047 .  8.231 6.347 5.678  7.412     .  0  0 "[    .    1    .    2]" 1 
       1026 1 58 ASP HB3  1 59 GLN H    3.392 .  4.830 2.773 2.577  2.916     .  0  0 "[    .    1    .    2]" 1 
       1027 1 58 ASP HB3  1 59 GLN HE21 4.698 .  7.457 3.366 2.420  5.308     .  0  0 "[    .    1    .    2]" 1 
       1028 1 58 ASP HB3  1 59 GLN HE22 4.226 .  6.459 3.933 2.261  5.074     .  0  0 "[    .    1    .    2]" 1 
       1029 1 59 GLN H    1 59 GLN HA   2.945 .  4.029 2.871 2.830  2.904     .  0  0 "[    .    1    .    2]" 1 
       1030 1 59 GLN H    1 59 GLN HB2  2.910 .  3.969 2.508 2.177  2.673     .  0  0 "[    .    1    .    2]" 1 
       1031 1 59 GLN H    1 59 GLN HB3  2.860 .  3.883 3.615 3.484  3.659     .  0  0 "[    .    1    .    2]" 1 
       1032 1 59 GLN H    1 59 GLN HE21 3.522 .  5.072 3.638 2.664  4.441     .  0  0 "[    .    1    .    2]" 1 
       1033 1 59 GLN H    1 59 GLN HE22 3.941 .  5.883 4.519 3.216  5.258     .  0  0 "[    .    1    .    2]" 1 
       1034 1 59 GLN H    1 59 GLN HG2  2.752 .  3.699 2.631 2.021  4.255 0.556  1  1 "[+   .    1    .    2]" 1 
       1035 1 59 GLN H    1 59 GLN HG3  3.115 .  4.328 3.763 3.566  4.333 0.005  8  0 "[    .    1    .    2]" 1 
       1036 1 59 GLN H    1 60 GLY H    2.391 .  3.106 2.505 2.374  2.639     .  0  0 "[    .    1    .    2]" 1 
       1037 1 59 GLN H    1 60 GLY HA2  4.013 .  6.026 4.942 4.816  5.070     .  0  0 "[    .    1    .    2]" 1 
       1038 1 59 GLN H    1 61 GLY H    3.199 .  4.478 3.579 3.400  3.810     .  0  0 "[    .    1    .    2]" 1 
       1039 1 59 GLN H    1 65 VAL QG   3.761 .  5.529 4.048 3.628  4.556     .  0  0 "[    .    1    .    2]" 1 
       1040 1 59 GLN HA   1 59 GLN HE21 4.602 .  7.249 3.767 2.395  4.448     .  0  0 "[    .    1    .    2]" 1 
       1041 1 59 GLN HA   1 60 GLY H    2.947 .  4.032 3.366 3.254  3.449     .  0  0 "[    .    1    .    2]" 1 
       1042 1 59 GLN HB2  1 59 GLN HE21 4.604 .  7.253 3.196 1.642  4.033 0.313  1  0 "[    .    1    .    2]" 1 
       1043 1 59 GLN HB2  1 59 GLN HG3  2.568 .  3.392 2.566 2.405  3.004     .  0  0 "[    .    1    .    2]" 1 
       1044 1 59 GLN HB2  1 60 GLY H    3.680 .  5.372 3.320 2.930  3.683     .  0  0 "[    .    1    .    2]" 1 
       1045 1 59 GLN HB2  1 61 GLY H    3.800 .  5.605 3.193 2.573  3.632     .  0  0 "[    .    1    .    2]" 1 
       1046 1 59 GLN HB2  1 65 VAL QG   2.618 .  3.475 2.442 1.911  2.952     .  0  0 "[    .    1    .    2]" 1 
       1047 1 59 GLN HB3  1 59 GLN HG3  2.758 .  3.709 2.406 2.248  2.612     .  0  0 "[    .    1    .    2]" 1 
       1048 1 59 GLN HB3  1 60 GLY H    3.960 .  5.920 4.145 3.869  4.372     .  0  0 "[    .    1    .    2]" 1 
       1049 1 59 GLN HB3  1 61 GLY H    3.751 .  5.510 4.343 3.847  4.950     .  0  0 "[    .    1    .    2]" 1 
       1050 1 59 GLN HE21 1 59 GLN HG2  3.102 .  4.305 2.405 2.177  3.504     .  0  0 "[    .    1    .    2]" 1 
       1051 1 59 GLN HG3  1 65 VAL QG   3.217 .  4.510 2.651 1.845  4.330 0.079 12  0 "[    .    1    .    2]" 1 
       1052 1 59 GLN HG3  2  7 VAL QG   3.839 .  5.681 3.005 2.293  4.984     .  0  0 "[    .    1    .    2]" 1 
       1053 1 60 GLY H    1 60 GLY HA2  2.392 .  3.107 2.470 2.437  2.479     .  0  0 "[    .    1    .    2]" 1 
       1054 1 60 GLY H    1 61 GLY H    2.540 .  3.346 2.177 1.969  2.603     .  0  0 "[    .    1    .    2]" 1 
       1055 1 60 GLY H    1 61 GLY HA3  4.709 .  7.481 4.731 4.655  4.913     .  0  0 "[    .    1    .    2]" 1 
       1056 1 60 GLY H    1 64 ALA MB   3.705 .  5.421 3.883 3.613  4.127     .  0  0 "[    .    1    .    2]" 1 
       1057 1 60 GLY HA2  1 64 ALA MB   3.097 .  4.296 4.113 3.791  4.357 0.061 11  0 "[    .    1    .    2]" 1 
       1058 1 60 GLY HA3  1 61 GLY H    3.153 .  4.396 3.225 2.965  3.442     .  0  0 "[    .    1    .    2]" 1 
       1059 1 60 GLY HA3  1 64 ALA MB   2.595 .  3.437 2.831 2.490  3.055     .  0  0 "[    .    1    .    2]" 1 
       1060 1 61 GLY H    1 61 GLY HA2  2.507 .  3.293 2.518 2.402  2.659     .  0  0 "[    .    1    .    2]" 1 
       1061 1 61 GLY H    1 61 GLY HA3  2.785 .  3.754 2.942 2.910  2.951     .  0  0 "[    .    1    .    2]" 1 
       1062 1 61 GLY H    1 62 LEU H    3.493 .  5.018 4.449 4.395  4.517     .  0  0 "[    .    1    .    2]" 1 
       1063 1 61 GLY H    1 62 LEU QD   3.546 .  5.118 3.691 3.098  4.141     .  0  0 "[    .    1    .    2]" 1 
       1064 1 61 GLY H    1 64 ALA MB   3.515 .  5.060 2.924 2.302  3.435     .  0  0 "[    .    1    .    2]" 1 
       1065 1 61 GLY HA2  1 62 LEU H    2.749 .  3.694 2.652 2.495  2.846     .  0  0 "[    .    1    .    2]" 1 
       1066 1 61 GLY HA2  1 63 GLU H    4.710 .  7.484 4.741 4.390  5.101     .  0  0 "[    .    1    .    2]" 1 
       1067 1 61 GLY HA3  1 62 LEU H    2.796 .  3.773 2.456 2.301  2.599     .  0  0 "[    .    1    .    2]" 1 
       1068 1 61 GLY HA3  1 63 GLU H    4.058 .  6.116 3.722 3.365  4.132     .  0  0 "[    .    1    .    2]" 1 
       1069 1 62 LEU H    1 62 LEU HA   2.760 .  3.713 2.815 2.762  2.877     .  0  0 "[    .    1    .    2]" 1 
       1070 1 62 LEU H    1 62 LEU HB2  2.735 .  3.670 2.432 2.274  2.629     .  0  0 "[    .    1    .    2]" 1 
       1071 1 62 LEU H    1 62 LEU HB3  2.568 .  3.392 2.639 2.001  3.318     .  0  0 "[    .    1    .    2]" 1 
       1072 1 62 LEU H    1 62 LEU QD   2.978 .  4.086 2.653 1.878  3.632     .  0  0 "[    .    1    .    2]" 1 
       1073 1 62 LEU HA   1 62 LEU HB2  2.552 .  3.366 2.958 2.500  3.017     .  0  0 "[    .    1    .    2]" 1 
       1074 1 62 LEU HA   1 62 LEU HB3  2.507 .  3.292 2.556 2.384  3.010     .  0  0 "[    .    1    .    2]" 1 
       1075 1 62 LEU HA   1 62 LEU QD       . .  2.586 2.205 1.805  2.609 0.023  6  0 "[    .    1    .    2]" 1 
       1076 1 62 LEU HA   1 62 LEU HG   2.676 .  3.571 2.944 2.450  3.657 0.086  4  0 "[    .    1    .    2]" 1 
       1077 1 62 LEU HA   1 63 GLU H    3.449 .  4.936 3.529 3.495  3.566     .  0  0 "[    .    1    .    2]" 1 
       1078 1 62 LEU HB2  1 62 LEU QD   1.980 .  2.470 2.210 2.118  2.297     .  0  0 "[    .    1    .    2]" 1 
       1079 1 62 LEU HB2  1 62 LEU HG   2.207 .  2.816 2.712 2.443  3.026 0.210 11  0 "[    .    1    .    2]" 1 
       1080 1 62 LEU HB2  1 63 GLU H    2.778 .  3.742 2.688 2.153  3.922 0.180 19  0 "[    .    1    .    2]" 1 
       1081 1 62 LEU HB2  1 65 VAL H    3.091 .  4.285 3.877 3.579  4.187     .  0  0 "[    .    1    .    2]" 1 
       1082 1 62 LEU HB3  1 63 GLU H    2.876 .  3.910 3.427 2.695  3.818     .  0  0 "[    .    1    .    2]" 1 
       1083 1 62 LEU QD   1 62 LEU HG   2.118 .  2.679 1.894 1.890  1.897     .  0  0 "[    .    1    .    2]" 1 
       1084 1 62 LEU QD   1 63 GLU H    3.346 .  4.745 3.899 3.641  4.144     .  0  0 "[    .    1    .    2]" 1 
       1085 1 62 LEU QD   1 64 ALA H    2.915 .  3.977 3.768 3.471  3.955     .  0  0 "[    .    1    .    2]" 1 
       1086 1 63 GLU H    1 63 GLU HA   2.849 .  3.864 2.813 2.773  2.866     .  0  0 "[    .    1    .    2]" 1 
       1087 1 63 GLU H    1 63 GLU HB2  2.428 .  3.165 2.561 2.286  3.070     .  0  0 "[    .    1    .    2]" 1 
       1088 1 63 GLU H    1 63 GLU HG3  2.721 .  3.647 3.135 1.995  4.471 0.824 19  1 "[    .    1    .   +2]" 1 
       1089 1 63 GLU H    1 64 ALA H    2.688 .  3.591 2.625 2.478  2.825     .  0  0 "[    .    1    .    2]" 1 
       1090 1 63 GLU H    1 65 VAL H    3.568 .  5.159 4.506 4.084  5.177 0.018 12  0 "[    .    1    .    2]" 1 
       1091 1 63 GLU HA   1 64 ALA H    2.657 .  3.540 2.708 2.672  2.742     .  0  0 "[    .    1    .    2]" 1 
       1092 1 63 GLU HA   1 67 GLN H    3.112 .  4.323 3.387 3.216  3.547     .  0  0 "[    .    1    .    2]" 1 
       1093 1 63 GLU HA   1 66 ARG H    2.881 .  3.919 3.561 3.233  3.843     .  0  0 "[    .    1    .    2]" 1 
       1094 1 63 GLU HA   1 66 ARG QD   2.250 .  2.883 2.332 1.653  2.880     .  0  0 "[    .    1    .    2]" 1 
       1095 1 63 GLU HA   1 66 ARG QD   2.679 .  3.576 2.196 1.646  2.600 0.136 10  0 "[    .    1    .    2]" 1 
       1096 1 63 GLU HA   1 66 ARG HG2  3.171 .  4.428 4.514 3.742  5.041 0.613 11  2 "[    .    1+ - .    2]" 1 
       1097 1 63 GLU QB   1 63 GLU HG2  1.659 .  2.003 2.132 1.989  2.290 0.287 13  0 "[    .    1    .    2]" 1 
       1098 1 63 GLU HB2  1 64 ALA H    2.504 .  3.288 2.981 2.657  4.141 0.853 19  1 "[    .    1    .   +2]" 1 
       1099 1 64 ALA H    1 64 ALA MB   2.255 .  2.891 2.237 2.221  2.265     .  0  0 "[    .    1    .    2]" 1 
       1100 1 64 ALA H    1 65 VAL H    2.398 .  3.117 2.693 2.392  2.980     .  0  0 "[    .    1    .    2]" 1 
       1101 1 64 ALA H    1 66 ARG H    3.737 .  5.483 3.972 3.660  4.194     .  0  0 "[    .    1    .    2]" 1 
       1102 1 64 ALA HA   1 65 VAL H    2.751 .  3.697 3.554 3.501  3.601     .  0  0 "[    .    1    .    2]" 1 
       1103 1 64 ALA HA   1 67 GLN QB   2.374 .  3.078 2.994 2.650  3.140 0.062 17  0 "[    .    1    .    2]" 1 
       1104 1 64 ALA MB   1 65 VAL H    2.607 .  3.456 2.430 2.240  2.564     .  0  0 "[    .    1    .    2]" 1 
       1105 1 64 ALA MB   1 67 GLN H    4.393 .  6.805 4.481 4.377  4.604     .  0  0 "[    .    1    .    2]" 1 
       1106 1 65 VAL H    1 65 VAL HA   2.539 .  3.345 2.831 2.791  2.874     .  0  0 "[    .    1    .    2]" 1 
       1107 1 65 VAL H    1 66 ARG H    2.736 .  3.672 2.567 2.311  2.719     .  0  0 "[    .    1    .    2]" 1 
       1108 1 65 VAL HA   1 65 VAL HB   2.561 .  3.381 2.745 2.263  3.030     .  0  0 "[    .    1    .    2]" 1 
       1109 1 65 VAL HA   1 65 VAL QG   2.056 .  2.584 2.254 2.116  2.519     .  0  0 "[    .    1    .    2]" 1 
       1110 1 65 VAL HA   1 68 GLU H    2.733 .  3.667 3.132 2.836  3.470     .  0  0 "[    .    1    .    2]" 1 
       1111 1 65 VAL HA   1 68 GLU HB2  2.336 .  3.018 2.917 2.539  3.079 0.061  7  0 "[    .    1    .    2]" 1 
       1112 1 65 VAL HA   2  7 VAL QG   2.553 .  3.368 2.579 2.144  3.041     .  0  0 "[    .    1    .    2]" 1 
       1113 1 65 VAL HB   1 65 VAL QG   2.009 .  2.514 1.892 1.878  1.899     .  0  0 "[    .    1    .    2]" 1 
       1114 1 65 VAL QG   1 66 ARG H    2.813 .  3.802 2.868 2.263  3.321     .  0  0 "[    .    1    .    2]" 1 
       1115 1 65 VAL QG   1 69 MET H    4.421 .  6.864 4.589 3.909  5.079     .  0  0 "[    .    1    .    2]" 1 
       1116 1 65 VAL QG   1 69 MET ME   2.876 .  3.910 3.659 3.026  4.027 0.117  6  0 "[    .    1    .    2]" 1 
       1117 1 65 VAL QG   2  7 VAL QG   2.354 .  3.046 1.969 1.537  2.521 0.281 15  0 "[    .    1    .    2]" 1 
       1118 1 66 ARG H    1 66 ARG HA   2.671 .  3.563 2.820 2.791  2.856     .  0  0 "[    .    1    .    2]" 1 
       1119 1 66 ARG H    1 66 ARG QD   3.893 .  5.787 3.775 3.550  4.199     .  0  0 "[    .    1    .    2]" 1 
       1120 1 66 ARG H    1 67 GLN H    2.671 .  3.563 2.572 2.406  2.701     .  0  0 "[    .    1    .    2]" 1 
       1121 1 66 ARG HA   1 66 ARG HG2  2.587 .  3.423 2.588 2.455  3.054     .  0  0 "[    .    1    .    2]" 1 
       1122 1 66 ARG HA   1 66 ARG HG3  2.285 .  2.938 3.038 2.578  3.361 0.423 12  0 "[    .    1    .    2]" 1 
       1123 1 66 ARG HA   1 67 GLN H    3.295 .  4.652 3.477 3.424  3.509     .  0  0 "[    .    1    .    2]" 1 
       1124 1 66 ARG HA   1 69 MET H    3.241 .  4.554 3.868 3.438  4.557 0.003 14  0 "[    .    1    .    2]" 1 
       1125 1 66 ARG HA   1 69 MET ME   3.288 .  4.639 3.966 3.593  4.509     .  0  0 "[    .    1    .    2]" 1 
       1126 1 66 ARG HA   1 70 ARG H    4.709 .  7.481 5.817 5.078  6.704     .  0  0 "[    .    1    .    2]" 1 
       1127 1 66 ARG HB2  1 67 GLN H    2.558 .  3.376 2.924 2.659  3.840 0.464  9  0 "[    .    1    .    2]" 1 
       1128 1 66 ARG HB3  1 68 GLU H    2.920 .  3.986 4.026 3.728  4.283 0.297 12  0 "[    .    1    .    2]" 1 
       1129 1 66 ARG QD   1 67 GLN H    4.590 .  7.223 4.690 4.293  4.942     .  0  0 "[    .    1    .    2]" 1 
       1130 1 66 ARG HG2  1 67 GLN H    3.620 .  5.258 5.009 4.277  5.225     .  0  0 "[    .    1    .    2]" 1 
       1131 1 67 GLN H    1 67 GLN HA   2.732 .  3.665 2.879 2.838  2.916     .  0  0 "[    .    1    .    2]" 1 
       1132 1 67 GLN H    1 67 GLN QB   2.349 .  3.039 2.401 2.284  2.480     .  0  0 "[    .    1    .    2]" 1 
       1133 1 67 GLN H    1 67 GLN HG3  2.562 .  3.382 2.819 2.194  3.894 0.512  9  1 "[    .   +1    .    2]" 1 
       1134 1 67 GLN H    1 69 MET H    2.923 .  3.991 3.997 3.843  4.108 0.117 11  0 "[    .    1    .    2]" 1 
       1135 1 67 GLN H    1 70 ARG H    3.191 .  4.464 4.287 3.946  4.566 0.102 11  0 "[    .    1    .    2]" 1 
       1136 1 67 GLN HA   1 67 GLN QB   1.855 .  2.285 2.373 2.341  2.421 0.136  9  0 "[    .    1    .    2]" 1 
       1137 1 67 GLN HA   1 67 GLN QG   2.245 .  2.875 2.528 2.340  2.936 0.061  4  0 "[    .    1    .    2]" 1 
       1138 1 67 GLN HA   1 67 GLN HG3  2.373 .  3.077 3.199 2.777  3.789 0.712 19  5 "[*  -.   *1    . * +2]" 1 
       1139 1 67 GLN HA   1 69 MET H    4.709 .  7.481 3.884 3.546  4.214     .  0  0 "[    .    1    .    2]" 1 
       1140 1 67 GLN HA   1 70 ARG H    3.279 .  4.623 3.576 3.204  3.938     .  0  0 "[    .    1    .    2]" 1 
       1141 1 67 GLN HA   1 70 ARG QD   2.723 .  3.650 3.279 2.345  3.714 0.064  3  0 "[    .    1    .    2]" 1 
       1142 1 67 GLN HB2  1 68 GLU H    2.134 .  2.703 2.408 2.265  2.534     .  0  0 "[    .    1    .    2]" 1 
       1143 1 67 GLN HE21 1 67 GLN HG3  3.486 .  5.005 2.854 2.201  3.490     .  0  0 "[    .    1    .    2]" 1 
       1144 1 67 GLN HE22 1 67 GLN QG   2.822 .  3.818 2.488 2.140  3.098     .  0  0 "[    .    1    .    2]" 1 
       1145 1 68 GLU H    1 68 GLU HA   2.535 .  3.338 2.795 2.737  2.838     .  0  0 "[    .    1    .    2]" 1 
       1146 1 68 GLU H    1 68 GLU HG2  2.348 .  3.037 2.365 1.655  3.132 0.095  8  0 "[    .    1    .    2]" 1 
       1147 1 68 GLU H    1 69 MET H    2.451 .  3.202 2.671 2.552  2.822     .  0  0 "[    .    1    .    2]" 1 
       1148 1 68 GLU HA   1 69 MET H    2.915 .  3.977 3.464 3.404  3.520     .  0  0 "[    .    1    .    2]" 1 
       1149 1 68 GLU HA   1 70 ARG H    3.515 .  5.060 3.760 3.348  4.210     .  0  0 "[    .    1    .    2]" 1 
       1150 1 68 GLU HA   1 71 ARG H    3.217 .  4.510 2.938 2.472  3.381     .  0  0 "[    .    1    .    2]" 1 
       1151 1 68 GLU HA   1 71 ARG QD   2.301 .  2.963 2.867 2.358  3.088 0.125 11  0 "[    .    1    .    2]" 1 
       1152 1 68 GLU HA   1 72 GLN H    3.265 .  4.597 2.464 1.888  3.142 0.045  1  0 "[    .    1    .    2]" 1 
       1153 1 68 GLU QB   1 72 GLN H    3.221 .  4.518 3.292 2.781  3.867     .  0  0 "[    .    1    .    2]" 1 
       1154 1 68 GLU HB2  1 69 MET H    2.253 .  2.888 2.234 2.170  2.408     .  0  0 "[    .    1    .    2]" 1 
       1155 1 68 GLU HB2  2  7 VAL QG   2.292 .  2.948 2.002 1.617  2.345 0.292 11  0 "[    .    1    .    2]" 1 
       1156 1 68 GLU HB2  2  7 VAL QG   2.096 .  2.645 1.947 1.612  2.232     .  0  0 "[    .    1    .    2]" 1 
       1157 1 68 GLU QG   1 72 GLN H    3.174 .  4.434 4.480 4.154  4.659 0.225  5  0 "[    .    1    .    2]" 1 
       1158 1 68 GLU QG   2  7 VAL QG   2.730 .  3.662 2.609 1.851  3.203 0.010  5  0 "[    .    1    .    2]" 1 
       1159 1 68 GLU HG2  1 69 MET H    3.176 .  4.437 4.446 3.838  4.909 0.472  8  0 "[    .    1    .    2]" 1 
       1160 1 68 GLU HG2  2  7 VAL QG   2.618 .  3.475 3.682 2.950  4.259 0.784  6  6 "[*   .+  *- ** .    2]" 1 
       1161 1 69 MET H    1 69 MET HA   2.691 .  3.596 2.783 2.748  2.814     .  0  0 "[    .    1    .    2]" 1 
       1162 1 69 MET H    1 69 MET HG2  2.772 .  3.732 3.272 2.448  3.681     .  0  0 "[    .    1    .    2]" 1 
       1163 1 69 MET H    1 69 MET HG3  2.754 .  3.702 2.763 1.907  3.765 0.063 19  0 "[    .    1    .    2]" 1 
       1164 1 69 MET H    1 70 ARG H    2.451 .  3.202 2.707 2.554  2.814     .  0  0 "[    .    1    .    2]" 1 
       1165 1 69 MET H    1 71 ARG H    2.858 .  3.879 3.903 3.652  4.028 0.149 17  0 "[    .    1    .    2]" 1 
       1166 1 69 MET H    2  7 VAL QG   3.830 .  5.664 3.276 2.875  3.682     .  0  0 "[    .    1    .    2]" 1 
       1167 1 69 MET HA   1 69 MET ME   2.979 .  4.088 4.203 3.891  4.347 0.259 11  0 "[    .    1    .    2]" 1 
       1168 1 69 MET HA   1 70 ARG H    2.614 .  3.468 2.791 2.776  2.805     .  0  0 "[    .    1    .    2]" 1 
       1169 1 69 MET HA   2  7 VAL QG   3.002 .  4.129 3.304 2.789  3.925     .  0  0 "[    .    1    .    2]" 1 
       1170 1 69 MET QB   1 70 ARG H    2.671 .  3.563 2.799 2.605  3.012     .  0  0 "[    .    1    .    2]" 1 
       1171 1 69 MET ME   2  7 VAL QG   2.856 .  3.875 3.294 2.877  3.610     .  0  0 "[    .    1    .    2]" 1 
       1172 1 69 MET HG2  2  7 VAL QG   3.482 .  4.998 3.113 2.329  3.517     .  0  0 "[    .    1    .    2]" 1 
       1173 1 69 MET HG3  2  7 VAL QG   3.839 .  5.681 3.299 2.448  4.710     .  0  0 "[    .    1    .    2]" 1 
       1174 1 70 ARG H    1 70 ARG HB2  2.552 .  3.366 3.073 2.489  3.469 0.103 10  0 "[    .    1    .    2]" 1 
       1175 1 70 ARG H    1 70 ARG HB3  2.315 .  2.985 3.343 2.996  3.793 0.808 12  8 "[* **.* *-1 +  .*   2]" 1 
       1176 1 70 ARG H    1 70 ARG QD   3.890 .  5.782 3.380 1.904  4.219 0.094 19  0 "[    .    1    .    2]" 1 
       1177 1 70 ARG HA   1 70 ARG HB3  1.895 .  2.344 2.259 2.160  2.373 0.029  8  0 "[    .    1    .    2]" 1 
       1178 1 70 ARG HA   1 71 ARG H    2.602 .  3.448 2.661 2.570  2.718     .  0  0 "[    .    1    .    2]" 1 
       1179 1 71 ARG H    1 72 GLN H    2.752 .  3.699 2.598 2.155  3.284     .  0  0 "[    .    1    .    2]" 1 
       1180 1 71 ARG HA   1 71 ARG QD   3.151 .  4.392 3.869 3.539  4.195     .  0  0 "[    .    1    .    2]" 1 
       1181 1 71 ARG HA   1 71 ARG HG2  1.913 .  2.370 2.722 2.379  3.153 0.783 19  9 "[  * *- * 1 *  .** +*]" 1 
       1182 1 71 ARG HA   1 71 ARG QG   2.178 .  2.771 2.399 2.323  2.474     .  0  0 "[    .    1    .    2]" 1 
       1183 1 71 ARG HA   1 72 GLN H    2.604 .  3.451 3.520 3.446  3.548 0.097 20  0 "[    .    1    .    2]" 1 
       1184 1 71 ARG HB2  1 72 GLN H    2.720 .  3.645 3.485 3.186  3.731 0.086  4  0 "[    .    1    .    2]" 1 
       1185 1 71 ARG HG2  1 72 GLN H    3.044 .  4.202 3.332 2.199  4.221 0.019 13  0 "[    .    1    .    2]" 1 
       1186 2  2 HIS HD2  2 10 ARG H    4.409 .  6.838 4.195 2.590  5.467     .  0  0 "[    .    1    .    2]" 1 
       1187 2  2 HIS HD2  2 11 LEU H    3.396 .  4.838 4.973 4.867  5.022 0.184 15  0 "[    .    1    .    2]" 1 
       1188 2  3 MET HA   2  4 LEU H    2.503 .  3.286 2.810 2.103  3.513 0.227 11  0 "[    .    1    .    2]" 1 
       1189 2  3 MET HB3  2  4 LEU H    3.328 .  4.712 3.950 1.873  4.540 0.071 11  0 "[    .    1    .    2]" 1 
       1190 2  4 LEU H    2  4 LEU HA   2.954 .  4.044 2.883 2.269  2.946     .  0  0 "[    .    1    .    2]" 1 
       1191 2  4 LEU H    2  4 LEU QB   2.513 .  3.302 2.514 2.159  3.035     .  0  0 "[    .    1    .    2]" 1 
       1192 2  4 LEU H    2  4 LEU QD   3.515 .  5.060 3.162 2.291  3.996     .  0  0 "[    .    1    .    2]" 1 
       1193 2  4 LEU H    2  5 PRO HD2  4.656 .  7.366 4.975 2.509  5.312     .  0  0 "[    .    1    .    2]" 1 
       1194 2  4 LEU HA   2  4 LEU QB   2.308 .  2.974 2.438 2.232  2.503     .  0  0 "[    .    1    .    2]" 1 
       1195 2  4 LEU HA   2  4 LEU QD   2.265 .  2.907 1.894 1.801  2.255 0.022 11  0 "[    .    1    .    2]" 1 
       1196 2  4 LEU HA   2  4 LEU HG   2.944 .  4.027 3.321 2.816  3.721     .  0  0 "[    .    1    .    2]" 1 
       1197 2  4 LEU HA   2  5 PRO HD2  1.988 .  2.482 1.961 1.773  2.397     .  0  0 "[    .    1    .    2]" 1 
       1198 2  4 LEU QB   2  5 PRO HD2  2.519 .  3.312 2.729 2.085  3.348 0.036  6  0 "[    .    1    .    2]" 1 
       1199 2  4 LEU QB   2  5 PRO HD3  2.954 .  4.045 3.366 1.914  3.972     .  0  0 "[    .    1    .    2]" 1 
       1200 2  4 LEU HB2  2  9 GLN HE21 3.764 .  5.535 4.364 3.226  5.358     .  0  0 "[    .    1    .    2]" 1 
       1201 2  4 LEU HB3  2 10 ARG H    2.719 .  3.643 3.760 3.522  3.917 0.274  4  0 "[    .    1    .    2]" 1 
       1202 2  4 LEU QD   2  4 LEU HG   2.121 .  2.683 1.893 1.888  1.896     .  0  0 "[    .    1    .    2]" 1 
       1203 2  4 LEU QD   2  5 PRO HD2  2.964 .  4.062 2.653 2.002  3.507     .  0  0 "[    .    1    .    2]" 1 
       1204 2  4 LEU QD   2  5 PRO HD3  3.157 .  4.403 2.587 2.111  3.123     .  0  0 "[    .    1    .    2]" 1 
       1205 2  4 LEU QD   2 12 MET ME   3.127 .  4.349 2.259 1.825  4.352 0.080  1  0 "[    .    1    .    2]" 1 
       1206 2  5 PRO HA   2  5 PRO HB2  2.416 .  3.145 2.679 2.641  2.942     .  0  0 "[    .    1    .    2]" 1 
       1207 2  5 PRO HA   2  5 PRO HB3  2.736 .  3.672 2.317 2.272  2.347     .  0  0 "[    .    1    .    2]" 1 
       1208 2  5 PRO HA   2  5 PRO QG   2.605 .  3.453 3.485 2.953  3.528 0.075  5  0 "[    .    1    .    2]" 1 
       1209 2  5 PRO HD2  2  8 ALA MB   3.012 .  4.146 4.238 3.934  4.434 0.288 17  0 "[    .    1    .    2]" 1 
       1210 2  6 ASP H    2  6 ASP HB2  3.081 .  4.267 3.701 2.589  4.052     .  0  0 "[    .    1    .    2]" 1 
       1211 2  6 ASP H    2  6 ASP HB3  2.786 .  3.756 3.347 2.808  3.910 0.154 10  0 "[    .    1    .    2]" 1 
       1212 2  6 ASP H    2  7 VAL H    3.059 .  4.229 4.295 4.267  4.356 0.127 20  0 "[    .    1    .    2]" 1 
       1213 2  6 ASP HA   2  6 ASP HB2  2.299 .  2.959 2.523 2.386  3.023 0.064 20  0 "[    .    1    .    2]" 1 
       1214 2  6 ASP HA   2  6 ASP HB3  2.309 .  2.975 2.529 2.424  3.024 0.049 17  0 "[    .    1    .    2]" 1 
       1215 2  6 ASP HA   2  7 VAL H    2.583 .  3.417 2.636 2.287  2.743     .  0  0 "[    .    1    .    2]" 1 
       1216 2  6 ASP HA   2  9 GLN H    4.135 .  6.272 5.310 4.915  5.517     .  0  0 "[    .    1    .    2]" 1 
       1217 2  6 ASP HB2  2  7 VAL H    2.837 .  3.843 2.238 1.784  4.028 0.185  6  0 "[    .    1    .    2]" 1 
       1218 2  6 ASP HB2  2  9 GLN H    4.915 .  7.935 5.382 4.013  5.735     .  0  0 "[    .    1    .    2]" 1 
       1219 2  6 ASP HB3  2  7 VAL H    3.133 .  4.360 3.222 1.787  3.683 0.119 18  0 "[    .    1    .    2]" 1 
       1220 2  6 ASP HB3  2  9 GLN H    4.363 .  6.743 5.604 3.273  6.193     .  0  0 "[    .    1    .    2]" 1 
       1221 2  7 VAL H    2  7 VAL QG   2.773 .  3.734 1.769 1.705  1.911 0.107 16  0 "[    .    1    .    2]" 1 
       1222 2  7 VAL H    2  8 ALA H    3.039 .  4.194 2.817 2.621  3.129     .  0  0 "[    .    1    .    2]" 1 
       1223 2  7 VAL HA   2  7 VAL HB   1.962 .  2.443 2.531 2.339  2.754 0.311 19  0 "[    .    1    .    2]" 1 
       1224 2  7 VAL HA   2  7 VAL QG   2.091 .  2.637 2.275 2.077  2.445     .  0  0 "[    .    1    .    2]" 1 
       1225 2  7 VAL HA   2  8 ALA H    3.819 .  5.642 3.465 3.320  3.555     .  0  0 "[    .    1    .    2]" 1 
       1226 2  7 VAL HA   2  9 GLN H    4.456 .  6.938 4.360 3.545  4.918     .  0  0 "[    .    1    .    2]" 1 
       1227 2  7 VAL HB   2  7 VAL QG   1.748 .  2.130 1.885 1.879  1.889     .  0  0 "[    .    1    .    2]" 1 
       1228 2  7 VAL HB   2  8 ALA H    3.405 .  4.854 3.687 3.104  4.229     .  0  0 "[    .    1    .    2]" 1 
       1229 2  7 VAL QG   2  8 ALA H    2.693 .  3.599 2.547 2.330  2.854     .  0  0 "[    .    1    .    2]" 1 
       1230 2  7 VAL QG   2  8 ALA HA   3.317 .  4.692 3.547 3.043  4.047     .  0  0 "[    .    1    .    2]" 1 
       1231 2  7 VAL QG   2  8 ALA MB   2.728 .  3.658 3.516 3.323  3.677 0.019 11  0 "[    .    1    .    2]" 1 
       1232 2  8 ALA H    2  8 ALA HA   2.886 .  3.927 2.762 2.706  2.834     .  0  0 "[    .    1    .    2]" 1 
       1233 2  8 ALA H    2  8 ALA MB   2.326 .  3.002 2.212 2.186  2.230     .  0  0 "[    .    1    .    2]" 1 
       1234 2  8 ALA HA   2  8 ALA MB   1.677 .  2.029 2.110 2.099  2.122 0.093  7  0 "[    .    1    .    2]" 1 
       1235 2  8 ALA HA   2 11 LEU HB3  2.928 .  4.000 3.618 2.523  4.397 0.397  7  0 "[    .    1    .    2]" 1 
       1236 2  8 ALA HA   2 11 LEU QD   3.122 .  4.340 3.279 2.817  3.858     .  0  0 "[    .    1    .    2]" 1 
       1237 2  8 ALA MB   2  9 GLN H    2.655 .  3.536 2.505 2.033  2.868     .  0  0 "[    .    1    .    2]" 1 
       1238 2  8 ALA MB   2 12 MET ME   2.510 .  3.298 2.971 2.332  3.375 0.077 10  0 "[    .    1    .    2]" 1 
       1239 2  9 GLN H    2  9 GLN HA   2.711 .  3.630 2.849 2.822  2.868     .  0  0 "[    .    1    .    2]" 1 
       1240 2  9 GLN H    2  9 GLN QB   2.295 .  2.953 2.342 2.047  2.557     .  0  0 "[    .    1    .    2]" 1 
       1241 2  9 GLN H    2  9 GLN HG2  2.744 .  3.685 2.912 2.138  3.884 0.199  7  0 "[    .    1    .    2]" 1 
       1242 2  9 GLN H    2 10 ARG H    2.624 .  3.485 2.480 2.371  2.617     .  0  0 "[    .    1    .    2]" 1 
       1243 2  9 GLN HA   2 12 MET H    2.540 .  3.346 3.301 2.926  3.519 0.173 14  0 "[    .    1    .    2]" 1 
       1244 2  9 GLN HA   2 12 MET ME   2.427 .  3.163 2.867 1.674  3.240 0.077  1  0 "[    .    1    .    2]" 1 
       1245 2  9 GLN HE21 2  9 GLN HG3  2.754 .  3.702 3.005 2.762  3.306     .  0  0 "[    .    1    .    2]" 1 
       1246 2 10 ARG H    2 10 ARG HA   2.456 .  3.210 2.832 2.772  2.867     .  0  0 "[    .    1    .    2]" 1 
       1247 2 10 ARG H    2 10 ARG HB2  2.197 .  2.800 2.533 1.986  2.803 0.003 12  0 "[    .    1    .    2]" 1 
       1248 2 10 ARG H    2 10 ARG HB3  2.178 .  2.771 2.412 2.108  2.948 0.177 13  0 "[    .    1    .    2]" 1 
       1249 2 10 ARG H    2 10 ARG HD3  4.179 .  6.362 5.003 4.348  5.917     .  0  0 "[    .    1    .    2]" 1 
       1250 2 10 ARG H    2 11 LEU H    2.544 .  3.353 2.470 2.284  2.687     .  0  0 "[    .    1    .    2]" 1 
       1251 2 10 ARG H    2 12 MET H    3.993 .  5.986 4.164 3.936  4.410     .  0  0 "[    .    1    .    2]" 1 
       1252 2 10 ARG HA   2 10 ARG QG   2.415 .  3.144 2.731 2.103  3.096     .  0  0 "[    .    1    .    2]" 1 
       1253 2 10 ARG HA   2 11 LEU H    2.389 .  3.102 2.597 2.537  2.657     .  0  0 "[    .    1    .    2]" 1 
       1254 2 10 ARG HB3  2 11 LEU H    2.665 .  3.553 2.943 2.610  3.155     .  0  0 "[    .    1    .    2]" 1 
       1255 2 10 ARG HD2  2 10 ARG QG   2.275 .  2.922 2.313 2.154  2.487     .  0  0 "[    .    1    .    2]" 1 
       1256 2 10 ARG HD3  2 10 ARG QG   2.602 .  2.862 2.327 2.140  2.498     .  0  0 "[    .    1    .    2]" 1 
       1257 2 11 LEU H    2 11 LEU HA   2.976 .  4.083 2.883 2.842  2.917     .  0  0 "[    .    1    .    2]" 1 
       1258 2 11 LEU H    2 11 LEU HB2  2.617 .  3.473 2.387 2.063  2.904     .  0  0 "[    .    1    .    2]" 1 
       1259 2 11 LEU H    2 11 LEU HB3  2.365 .  3.064 2.402 2.108  2.750     .  0  0 "[    .    1    .    2]" 1 
       1260 2 11 LEU H    2 11 LEU QD   3.610 .  5.239 3.724 3.590  3.812     .  0  0 "[    .    1    .    2]" 1 
       1261 2 11 LEU H    2 11 LEU HG   3.117 .  4.332 4.009 3.428  4.427 0.095 15  0 "[    .    1    .    2]" 1 
       1262 2 11 LEU HA   2 11 LEU HB2  2.760 .  3.712 2.670 2.371  2.906     .  0  0 "[    .    1    .    2]" 1 
       1263 2 11 LEU HA   2 11 LEU QD   2.144 .  2.718 2.068 1.869  2.235     .  0  0 "[    .    1    .    2]" 1 
       1264 2 11 LEU HA   2 14 HIS H    2.549 .  3.361 3.256 3.000  3.407 0.046  3  0 "[    .    1    .    2]" 1 
       1265 2 11 LEU HA   2 14 HIS QB   2.648 .  3.525 2.567 2.275  2.800     .  0  0 "[    .    1    .    2]" 1 
       1266 2 11 LEU HA   2 14 HIS HD2  3.634 .  5.285 4.897 4.471  5.238     .  0  0 "[    .    1    .    2]" 1 
       1267 2 11 LEU HB2  2 11 LEU QD   3.000 .  4.125 2.203 2.064  2.313     .  0  0 "[    .    1    .    2]" 1 
       1268 2 11 LEU HB2  2 12 MET H    2.909 .  3.967 3.463 2.912  3.993 0.026 16  0 "[    .    1    .    2]" 1 
       1269 2 11 LEU HB3  2 11 LEU QD   2.775 .  3.186 2.196 2.121  2.411     .  0  0 "[    .    1    .    2]" 1 
       1270 2 11 LEU HB3  2 11 LEU HG   2.919 .  3.984 2.770 2.367  3.009     .  0  0 "[    .    1    .    2]" 1 
       1271 2 11 LEU MD1  2 11 LEU MD2  2.053 .  2.580 2.078 2.052  2.092     .  0  0 "[    .    1    .    2]" 1 
       1272 2 11 LEU QD   2 11 LEU HG   2.180 .  2.774 1.888 1.884  1.893     .  0  0 "[    .    1    .    2]" 1 
       1273 2 11 LEU QD   2 12 MET H    3.466 .  4.968 3.945 3.814  4.130     .  0  0 "[    .    1    .    2]" 1 
       1274 2 11 LEU QD   2 12 MET H    3.407 .  4.858 3.450 3.285  3.585     .  0  0 "[    .    1    .    2]" 1 
       1275 2 11 LEU QD   2 14 HIS H    4.195 .  6.395 4.041 3.749  4.328     .  0  0 "[    .    1    .    2]" 1 
       1276 2 11 LEU QD   2 14 HIS QB   2.929 .  4.001 2.531 2.011  2.852     .  0  0 "[    .    1    .    2]" 1 
       1277 2 11 LEU QD   2 14 HIS HD2  2.684 .  3.585 3.467 3.203  3.646 0.061 10  0 "[    .    1    .    2]" 1 
       1278 2 11 LEU QD   2 15 LEU QD   1.941 .  2.412 1.968 1.760  2.206     .  0  0 "[    .    1    .    2]" 1 
       1279 2 11 LEU HG   2 14 HIS HD2  3.989 .  5.978 5.831 4.880  6.061 0.083 16  0 "[    .    1    .    2]" 1 
       1280 2 12 MET H    2 12 MET HA   2.516 .  3.307 2.776 2.735  2.815     .  0  0 "[    .    1    .    2]" 1 
       1281 2 12 MET H    2 12 MET HG2  2.681 .  3.579 3.322 3.138  3.864 0.285  9  0 "[    .    1    .    2]" 1 
       1282 2 12 MET H    2 12 MET HG3  2.867 .  3.894 2.112 1.936  2.716     .  0  0 "[    .    1    .    2]" 1 
       1283 2 12 MET HA   2 12 MET HB3  2.250 .  2.883 2.473 2.429  2.629     .  0  0 "[    .    1    .    2]" 1 
       1284 2 12 MET HA   2 13 GLN H    2.782 .  3.749 3.528 3.495  3.550     .  0  0 "[    .    1    .    2]" 1 
       1285 2 12 MET HA   2 15 LEU QD   2.450 .  3.200 3.034 2.418  3.221 0.021 17  0 "[    .    1    .    2]" 1 
       1286 2 12 MET HB2  2 13 GLN H    2.110 .  2.667 2.146 1.973  2.285     .  0  0 "[    .    1    .    2]" 1 
       1287 2 12 MET HG2  2 13 GLN H    3.805 .  5.614 4.904 4.769  5.093     .  0  0 "[    .    1    .    2]" 1 
       1288 2 13 GLN H    2 13 GLN HA   2.415 .  3.144 2.826 2.788  2.858     .  0  0 "[    .    1    .    2]" 1 
       1289 2 13 GLN H    2 13 GLN HG2  2.730 .  3.661 2.695 2.021  3.863 0.202 16  0 "[    .    1    .    2]" 1 
       1290 2 13 GLN H    2 14 HIS HB3  3.480 .  4.994 5.032 4.724  5.316 0.322  7  0 "[    .    1    .    2]" 1 
       1291 2 13 GLN HA   2 16 ALA MB   2.113 .  2.671 2.586 2.282  2.729 0.058 13  0 "[    .    1    .    2]" 1 
       1292 2 13 GLN QB   2 13 GLN HE21 4.117 .  6.235 3.205 1.882  4.004 0.117 10  0 "[    .    1    .    2]" 1 
       1293 2 13 GLN QB   2 14 HIS H    2.265 .  2.906 2.694 2.358  2.891     .  0  0 "[    .    1    .    2]" 1 
       1294 2 13 GLN HE21 2 13 GLN HG3  3.153 .  4.396 2.663 2.217  3.495     .  0  0 "[    .    1    .    2]" 1 
       1295 2 13 GLN HG3  2 14 HIS H    3.078 .  4.262 4.200 3.846  4.793 0.531  5  1 "[    +    1    .    2]" 1 
       1296 2 14 HIS H    2 14 HIS HA   2.567 .  3.391 2.832 2.782  2.890     .  0  0 "[    .    1    .    2]" 1 
       1297 2 14 HIS H    2 14 HIS QB   2.199 .  2.803 2.254 2.197  2.312     .  0  0 "[    .    1    .    2]" 1 
       1298 2 14 HIS H    2 15 LEU QD   3.607 .  5.234 4.043 3.544  4.763     .  0  0 "[    .    1    .    2]" 1 
       1299 2 14 HIS HA   2 14 HIS QB   2.346 .  3.034 2.401 2.371  2.428     .  0  0 "[    .    1    .    2]" 1 
       1300 2 14 HIS HA   2 14 HIS HD2  4.413 .  6.848 4.415 4.148  4.666     .  0  0 "[    .    1    .    2]" 1 
       1301 2 14 HIS HA   2 14 HIS HE1  5.601 .  9.523 4.819 4.553  5.046     .  0  0 "[    .    1    .    2]" 1 
       1302 2 14 HIS HA   2 15 LEU H    3.504 .  5.039 3.500 3.450  3.570     .  0  0 "[    .    1    .    2]" 1 
       1303 2 14 HIS HA   2 17 GLU H    3.208 .  4.495 3.720 3.344  4.170     .  0  0 "[    .    1    .    2]" 1 
       1304 2 14 HIS HA   2 17 GLU QB   3.018 .  4.156 3.580 3.177  4.060     .  0  0 "[    .    1    .    2]" 1 
       1305 2 14 HIS HA   2 18 HIS HD2  3.463 .  4.962 3.750 3.468  4.188     .  0  0 "[    .    1    .    2]" 1 
       1306 2 14 HIS QB   2 14 HIS HE1  4.520 .  7.073 4.483 4.434  4.550     .  0  0 "[    .    1    .    2]" 1 
       1307 2 14 HIS QB   2 15 LEU H    2.628 .  3.492 2.857 2.650  3.067     .  0  0 "[    .    1    .    2]" 1 
       1308 2 14 HIS HD2  2 15 LEU HA   3.608 .  5.235 4.433 3.668  5.216     .  0  0 "[    .    1    .    2]" 1 
       1309 2 14 HIS HD2  2 15 LEU QD   2.533 .  3.335 3.022 2.397  3.378 0.043  8  0 "[    .    1    .    2]" 1 
       1310 2 15 LEU H    2 15 LEU HA   2.657 .  3.539 2.894 2.852  2.920     .  0  0 "[    .    1    .    2]" 1 
       1311 2 15 LEU H    2 15 LEU QD   2.671 .  3.562 2.615 2.093  3.193     .  0  0 "[    .    1    .    2]" 1 
       1312 2 15 LEU HA   2 15 LEU HB2  2.942 .  4.024 3.011 2.994  3.019     .  0  0 "[    .    1    .    2]" 1 
       1313 2 15 LEU HA   2 15 LEU HB3  2.908 .  3.965 2.529 2.400  2.617     .  0  0 "[    .    1    .    2]" 1 
       1314 2 15 LEU HA   2 15 LEU QD   2.067 .  2.601 1.916 1.730  2.111     .  0  0 "[    .    1    .    2]" 1 
       1315 2 15 LEU HA   2 16 ALA H    3.124 .  4.344 3.515 3.468  3.541     .  0  0 "[    .    1    .    2]" 1 
       1316 2 15 LEU HA   2 17 GLU H    3.747 .  5.502 4.063 3.635  4.423     .  0  0 "[    .    1    .    2]" 1 
       1317 2 15 LEU HA   2 18 HIS H    3.113 .  4.324 3.551 3.422  3.811     .  0  0 "[    .    1    .    2]" 1 
       1318 2 15 LEU HA   2 18 HIS HD2  3.011 .  4.144 3.516 3.002  3.973     .  0  0 "[    .    1    .    2]" 1 
       1319 2 15 LEU HA   2 20 ILE HB   3.311 .  4.681 3.580 2.981  4.108     .  0  0 "[    .    1    .    2]" 1 
       1320 2 15 LEU HB2  2 15 LEU QD   2.761 .  3.125 2.169 2.088  2.271     .  0  0 "[    .    1    .    2]" 1 
       1321 2 15 LEU HB2  2 16 ALA H    2.375 .  3.080 2.649 2.323  2.913     .  0  0 "[    .    1    .    2]" 1 
       1322 2 15 LEU HB2  2 20 ILE MG   2.948 .  4.034 3.566 3.170  4.044 0.010 14  0 "[    .    1    .    2]" 1 
       1323 2 15 LEU HB3  2 15 LEU QD   2.519 .  3.312 2.387 2.106  2.609     .  0  0 "[    .    1    .    2]" 1 
       1324 2 15 LEU HB3  2 15 LEU HG   2.923 .  3.991 2.525 2.216  3.021     .  0  0 "[    .    1    .    2]" 1 
       1325 2 15 LEU HB3  2 18 HIS H    3.454 .  4.946 4.141 4.051  4.240     .  0  0 "[    .    1    .    2]" 1 
       1326 2 15 LEU HB3  2 20 ILE MG   2.948 .  4.035 2.415 2.020  2.905     .  0  0 "[    .    1    .    2]" 1 
       1327 2 15 LEU QD   2 15 LEU HG   2.073 .  2.610 1.890 1.885  1.895     .  0  0 "[    .    1    .    2]" 1 
       1328 2 15 LEU QD   2 20 ILE HB   2.811 .  3.798 3.333 2.958  3.672     .  0  0 "[    .    1    .    2]" 1 
       1329 2 16 ALA H    2 16 ALA MB   2.234 .  2.858 2.229 2.203  2.243     .  0  0 "[    .    1    .    2]" 1 
       1330 2 16 ALA HA   2 16 ALA MB   1.816 .  2.228 2.125 2.119  2.128     .  0  0 "[    .    1    .    2]" 1 
       1331 2 16 ALA HA   2 20 ILE H    2.434 .  3.174 2.650 2.352  2.789     .  0  0 "[    .    1    .    2]" 1 
       1332 2 16 ALA MB   2 17 GLU H    2.532 .  3.333 2.824 2.590  3.072     .  0  0 "[    .    1    .    2]" 1 
       1333 2 17 GLU H    2 17 GLU HA   2.719 .  3.643 2.838 2.789  2.912     .  0  0 "[    .    1    .    2]" 1 
       1334 2 17 GLU H    2 17 GLU QB   2.277 .  2.925 2.499 2.378  2.748     .  0  0 "[    .    1    .    2]" 1 
       1335 2 17 GLU H    2 17 GLU HG2  2.516 .  3.307 2.437 1.975  3.593 0.286 14  0 "[    .    1    .    2]" 1 
       1336 2 17 GLU H    2 18 HIS H    2.647 .  3.523 2.670 2.433  2.769     .  0  0 "[    .    1    .    2]" 1 
       1337 2 17 GLU HA   2 17 GLU QB   1.902 .  2.354 2.281 2.161  2.379 0.025  4  0 "[    .    1    .    2]" 1 
       1338 2 17 GLU HA   2 18 HIS H    3.025 .  4.169 3.399 3.255  3.489     .  0  0 "[    .    1    .    2]" 1 
       1339 2 17 GLU QB   2 18 HIS H    3.098 .  4.298 3.384 2.826  3.884     .  0  0 "[    .    1    .    2]" 1 
       1340 2 17 GLU QB   2 18 HIS HE1  4.290 .  6.590 5.092 4.379  6.274     .  0  0 "[    .    1    .    2]" 1 
       1341 2 17 GLU HG3  2 18 HIS HE1  4.549 .  7.135 6.128 4.342  7.363 0.228  5  0 "[    .    1    .    2]" 1 
       1342 2 18 HIS H    2 18 HIS HA   2.941 .  4.022 2.943 2.920  2.955     .  0  0 "[    .    1    .    2]" 1 
       1343 2 18 HIS H    2 18 HIS HB2  2.586 .  3.422 2.581 2.393  2.726     .  0  0 "[    .    1    .    2]" 1 
       1344 2 18 HIS H    2 18 HIS HB3  2.898 .  3.948 3.745 3.625  3.841     .  0  0 "[    .    1    .    2]" 1 
       1345 2 18 HIS H    2 18 HIS HD2  3.413 .  4.869 3.417 2.812  3.880     .  0  0 "[    .    1    .    2]" 1 
       1346 2 18 HIS H    2 19 GLY H    2.537 .  3.342 2.385 1.932  3.167     .  0  0 "[    .    1    .    2]" 1 
       1347 2 18 HIS H    2 20 ILE H    3.145 .  4.382 3.673 3.193  4.410 0.028 13  0 "[    .    1    .    2]" 1 
       1348 2 18 HIS HA   2 18 HIS HB2  2.516 .  3.307 3.015 2.996  3.025     .  0  0 "[    .    1    .    2]" 1 
       1349 2 18 HIS HA   2 18 HIS HB3  2.403 .  3.125 2.514 2.463  2.595     .  0  0 "[    .    1    .    2]" 1 
       1350 2 18 HIS HA   2 18 HIS HE1  4.521 .  7.076 4.905 4.744  5.087     .  0  0 "[    .    1    .    2]" 1 
       1351 2 18 HIS HA   2 19 GLY H    2.965 .  4.064 3.394 2.996  3.585     .  0  0 "[    .    1    .    2]" 1 
       1352 2 18 HIS HB2  2 19 GLY H    3.245 .  4.562 2.967 1.905  4.054 0.023 19  0 "[    .    1    .    2]" 1 
       1353 2 18 HIS HB2  2 20 ILE H    3.601 .  5.222 3.738 3.265  4.543     .  0  0 "[    .    1    .    2]" 1 
       1354 2 18 HIS HB3  2 20 ILE H    3.601 .  5.222 4.674 3.990  5.307 0.085  2  0 "[    .    1    .    2]" 1 
       1355 2 19 GLY H    2 19 GLY QA   2.623 .  3.170 2.348 2.197  2.494     .  0  0 "[    .    1    .    2]" 1 
       1356 2 19 GLY H    2 20 ILE H    2.348 .  3.037 2.273 1.753  2.799     .  0  0 "[    .    1    .    2]" 1 
       1357 2 19 GLY QA   2 20 ILE H    2.930 .  4.003 2.712 2.386  2.864     .  0  0 "[    .    1    .    2]" 1 
       1358 2 20 ILE H    2 20 ILE HB   2.411 .  3.138 2.236 2.104  2.434     .  0  0 "[    .    1    .    2]" 1 
       1359 2 20 ILE H    2 20 ILE HG13 2.654 .  3.535 3.744 3.516  4.146 0.611  2  2 "[ +  .    1  - .    2]" 1 
       1360 2 20 ILE HA   2 20 ILE HB   2.863 .  3.888 2.985 2.957  3.021     .  0  0 "[    .    1    .    2]" 1 
       1361 2 20 ILE HA   2 20 ILE MD   2.394 .  3.110 2.293 1.770  2.622     .  0  0 "[    .    1    .    2]" 1 
       1362 2 20 ILE HA   2 20 ILE HG12 2.646 .  3.521 3.342 2.932  3.536 0.015  6  0 "[    .    1    .    2]" 1 
       1363 2 20 ILE HA   2 20 ILE HG13 2.483 .  3.254 2.696 2.151  3.645 0.391 17  0 "[    .    1    .    2]" 1 
       1364 2 20 ILE HA   2 20 ILE MG   2.155 .  2.736 2.651 2.452  2.781 0.045  4  0 "[    .    1    .    2]" 1 
       1365 2 20 ILE HA   2 21 GLN H    2.227 .  2.847 2.229 2.133  2.298     .  0  0 "[    .    1    .    2]" 1 
       1366 2 20 ILE HB   2 20 ILE MD   2.460 .  3.217 2.649 2.316  3.225 0.008 17  0 "[    .    1    .    2]" 1 
       1367 2 20 ILE HB   2 20 ILE HG12 2.656 .  3.538 2.482 2.357  2.556     .  0  0 "[    .    1    .    2]" 1 
       1368 2 20 ILE HB   2 20 ILE HG13 2.609 .  3.460 2.826 2.466  3.007     .  0  0 "[    .    1    .    2]" 1 
       1369 2 20 ILE HB   2 20 ILE MG   2.058 .  2.587 2.123 2.116  2.127     .  0  0 "[    .    1    .    2]" 1 
       1370 2 20 ILE HG12 2 20 ILE MG   2.299 .  2.960 2.593 2.247  3.202 0.242 17  0 "[    .    1    .    2]" 1 
       1371 2 20 ILE HG13 2 20 ILE MG   2.795 .  3.771 2.434 2.255  2.549     .  0  0 "[    .    1    .    2]" 1 
       1372 2 20 ILE MG   2 21 GLN H    2.622 .  3.481 2.368 2.181  2.702     .  0  0 "[    .    1    .    2]" 1 
       1373 2 21 GLN H    2 21 GLN HA   2.985 .  4.099 2.897 2.813  2.939     .  0  0 "[    .    1    .    2]" 1 
       1374 2 21 GLN H    2 21 GLN HB2  2.515 .  3.306 2.429 2.211  2.690     .  0  0 "[    .    1    .    2]" 1 
       1375 2 21 GLN H    2 21 GLN HB3  2.822 .  3.817 3.507 2.593  3.703     .  0  0 "[    .    1    .    2]" 1 
       1376 2 21 GLN H    2 21 GLN QG   2.972 .  4.076 3.157 2.298  4.091 0.015  1  0 "[    .    1    .    2]" 1 
       1377 2 21 GLN HA   2 21 GLN HB2  2.659 .  3.543 2.969 2.521  3.033     .  0  0 "[    .    1    .    2]" 1 
       1378 2 21 GLN HA   2 21 GLN HB3  2.259 .  2.897 2.580 2.448  3.025 0.128  9  0 "[    .    1    .    2]" 1 
       1379 2 21 GLN HA   2 21 GLN QG   2.434 .  3.175 2.570 2.304  2.993     .  0  0 "[    .    1    .    2]" 1 
       1380 2 21 GLN HA   2 22 PRO HD2  1.764 .  2.153 2.369 1.999  2.544 0.391 13  0 "[    .    1    .    2]" 1 
       1381 2 21 GLN HA   2 22 PRO HD3  1.975 .  2.463 2.022 1.786  2.413     .  0  0 "[    .    1    .    2]" 1 
       1382 2 21 GLN HB2  2 21 GLN QG   1.959 .  2.439 2.331 2.158  2.448 0.009  7  0 "[    .    1    .    2]" 1 
       1383 2 21 GLN QG   2 22 PRO HD3  3.377 .  4.803 4.215 3.495  4.929 0.126 16  0 "[    .    1    .    2]" 1 
       1384 2 22 PRO HA   2 22 PRO HB3  2.274 .  2.921 2.288 2.265  2.309     .  0  0 "[    .    1    .    2]" 1 
       1385 2 22 PRO HA   2 22 PRO HG2  2.928 .  4.000 3.948 3.859  4.042 0.042 13  0 "[    .    1    .    2]" 1 
       1386 2 22 PRO HA   2 22 PRO HG3  3.081 .  4.267 3.569 2.988  4.023     .  0  0 "[    .    1    .    2]" 1 
       1387 2 22 PRO HA   2 23 ALA H    2.516 .  3.307 2.269 2.146  2.494     .  0  0 "[    .    1    .    2]" 1 
       1388 2 22 PRO HB2  2 24 ARG H    3.005 .  4.134 3.360 2.109  4.365 0.231  5  0 "[    .    1    .    2]" 1 
       1389 2 22 PRO HB3  2 23 ALA H    3.142 .  4.376 3.502 2.658  4.345     .  0  0 "[    .    1    .    2]" 1 
       1390 2 22 PRO HB3  2 24 ARG H    3.899 .  5.799 4.627 3.244  5.654     .  0  0 "[    .    1    .    2]" 1 
       1391 2 22 PRO HD2  2 22 PRO HG2  2.397 .  3.115 2.298 2.255  2.326     .  0  0 "[    .    1    .    2]" 1 
       1392 2 22 PRO HD2  2 22 PRO HG3  2.395 .  3.112 2.884 2.715  2.997     .  0  0 "[    .    1    .    2]" 1 
       1393 2 22 PRO HD3  2 24 ARG H    4.711 .  7.485 6.207 5.443  7.555 0.070 16  0 "[    .    1    .    2]" 1 
       1394 2 23 ALA H    2 23 ALA HA   2.516 .  3.307 2.817 2.239  2.939     .  0  0 "[    .    1    .    2]" 1 
       1395 2 23 ALA H    2 23 ALA MB   2.516 .  3.307 2.358 2.218  2.901     .  0  0 "[    .    1    .    2]" 1 
       1396 2 23 ALA HA   2 23 ALA MB   1.815 .  2.227 2.123 2.083  2.137     .  0  0 "[    .    1    .    2]" 1 
       1397 2 23 ALA HA   2 24 ARG H    2.422 .  3.156 2.846 2.259  3.486 0.330 14  0 "[    .    1    .    2]" 1 
       1398 2 23 ALA MB   2 24 ARG H    2.676 .  3.571 3.426 2.091  3.681 0.110  8  0 "[    .    1    .    2]" 1 
       1399 2 24 ARG HA   2 24 ARG HB2  2.130 .  2.697 2.763 2.408  3.023 0.326 13  0 "[    .    1    .    2]" 1 
       1400 2 24 ARG HA   2 24 ARG QD   2.405 .  3.128 2.187 1.731  3.162 0.034 11  0 "[    .    1    .    2]" 1 
       1401 2 24 ARG HA   2 24 ARG QG   2.242 .  2.870 2.829 2.388  3.059 0.189  5  0 "[    .    1    .    2]" 1 
       1402 2 24 ARG HA   2 25 ASN H    2.812 .  3.801 3.045 2.107  3.544     .  0  0 "[    .    1    .    2]" 1 
       1403 2 25 ASN H    2 25 ASN HB2  2.785 .  3.755 3.740 3.249  4.123 0.368 15  0 "[    .    1    .    2]" 1 
       1404 2 25 ASN HA   2 25 ASN HB2  2.035 .  2.553 2.487 2.335  2.946 0.393 11  0 "[    .    1    .    2]" 1 
       1405 2 25 ASN HA   2 25 ASN HB2  2.174 .  2.765 2.299 2.143  2.661     .  0  0 "[    .    1    .    2]" 1 
       1406 2 25 ASN HA   2 25 ASN HB3  2.037 .  2.556 2.507 2.366  2.968 0.412 18  0 "[    .    1    .    2]" 1 
       1407 2 25 ASN HA   2 26 MET H    3.208 .  4.495 2.780 2.116  3.579     .  0  0 "[    .    1    .    2]" 1 
       1408 2 25 ASN HB2  2 25 ASN HD21 3.258 .  4.585 2.784 2.177  3.496     .  0  0 "[    .    1    .    2]" 1 
       1409 2 26 MET H    2 26 MET HB2  3.515 .  5.059 3.042 2.414  3.981     .  0  0 "[    .    1    .    2]" 1 
       1410 2 26 MET H    2 26 MET HB3  3.158 .  4.404 3.425 2.549  4.132     .  0  0 "[    .    1    .    2]" 1 
       1411 2 26 MET H    2 26 MET HG3  4.128 .  6.258 3.881 2.346  4.817     .  0  0 "[    .    1    .    2]" 1 
       1412 2 26 MET HA   2 27 ALA H    2.535 .  3.338 2.571 2.118  3.517 0.179 20  0 "[    .    1    .    2]" 1 
       1413 2 26 MET HB2  2 27 ALA H    3.975 .  5.950 4.084 3.281  4.600     .  0  0 "[    .    1    .    2]" 1 
       1414 2 26 MET HB3  2 27 ALA H    3.616 .  5.251 3.734 1.951  4.523 0.030 20  0 "[    .    1    .    2]" 1 
       1415 2 27 ALA H    2 27 ALA HA   2.727 .  3.657 2.796 2.258  2.947     .  0  0 "[    .    1    .    2]" 1 
       1416 2 27 ALA H    2 27 ALA MB   2.599 .  3.444 2.457 2.222  2.915     .  0  0 "[    .    1    .    2]" 1 
       1417 2 27 ALA HA   2 27 ALA MB   1.822 .  2.237 2.128 2.122  2.136     .  0  0 "[    .    1    .    2]" 1 
       1418 2 27 ALA MB   2 29 HIS HD2  7.740 . 15.228 6.318 3.729  9.300     .  0  0 "[    .    1    .    2]" 1 
       1419 2 27 ALA MB   2 29 HIS HE1  6.850 . 12.715 6.631 2.196  9.406     .  0  0 "[    .    1    .    2]" 1 
       1420 2 28 GLU H    2 28 GLU HA   2.417 .  3.147 2.737 2.247  2.941     .  0  0 "[    .    1    .    2]" 1 
       1421 2 28 GLU HA   2 28 GLU HG2  2.482 .  3.252 2.842 2.336  3.452 0.200  9  0 "[    .    1    .    2]" 1 
       1422 2 28 GLU HA   2 28 GLU HG3  2.495 .  3.273 2.784 2.190  3.202     .  0  0 "[    .    1    .    2]" 1 
       1423 2 29 HIS HA   2 30 ILE H    2.537 .  3.342 2.553 2.144  3.450 0.108 18  0 "[    .    1    .    2]" 1 
       1424 2 29 HIS QB   2 30 ILE H    3.666 .  5.346 3.471 2.292  4.033     .  0  0 "[    .    1    .    2]" 1 
       1425 2 29 HIS HD2  2 30 ILE HA   4.989 .  8.100 5.878 3.102  7.346     .  0  0 "[    .    1    .    2]" 1 
       1426 2 30 ILE H    2 30 ILE HB   3.116 .  4.330 2.830 2.481  3.813     .  0  0 "[    .    1    .    2]" 1 
       1427 2 30 ILE H    2 30 ILE HG12 3.630 .  5.277 3.133 1.999  4.638     .  0  0 "[    .    1    .    2]" 1 
       1428 2 30 ILE H    2 30 ILE HG13 3.662 .  5.338 3.111 2.074  4.626     .  0  0 "[    .    1    .    2]" 1 
       1429 2 30 ILE H    2 30 ILE MG   3.892 .  5.786 3.493 2.162  3.925     .  0  0 "[    .    1    .    2]" 1 
       1430 2 30 ILE HA   2 30 ILE HB   2.732 .  3.665 2.891 2.457  3.035     .  0  0 "[    .    1    .    2]" 1 
       1431 2 30 ILE HA   2 30 ILE MD   3.412 .  4.867 3.399 1.989  4.199     .  0  0 "[    .    1    .    2]" 1 
       1432 2 30 ILE HA   2 30 ILE MG   2.503 .  3.286 2.414 2.289  3.213     .  0  0 "[    .    1    .    2]" 1 
       1433 2 30 ILE HA   2 31 PRO HD2  2.253 .  2.888 2.353 1.944  2.898 0.010  1  0 "[    .    1    .    2]" 1 
       1434 2 30 ILE HA   2 31 PRO HD3  2.130 .  2.697 2.102 1.830  2.617     .  0  0 "[    .    1    .    2]" 1 
       1435 2 30 ILE HB   2 30 ILE MD   2.843 .  3.853 2.616 2.278  3.244     .  0  0 "[    .    1    .    2]" 1 
       1436 2 30 ILE HB   2 30 ILE HG12 2.558 .  3.376 2.842 2.419  3.032     .  0  0 "[    .    1    .    2]" 1 
       1437 2 30 ILE HB   2 30 ILE MG   2.253 .  2.888 2.127 2.122  2.132     .  0  0 "[    .    1    .    2]" 1 
       1438 2 30 ILE MD   2 30 ILE HG13 1.899 .  2.350 2.120 2.117  2.123     .  0  0 "[    .    1    .    2]" 1 
       1439 2 30 ILE HG12 2 30 ILE MG   2.875 .  3.908 2.570 2.138  3.207     .  0  0 "[    .    1    .    2]" 1 
       1440 2 30 ILE HG13 2 30 ILE MG   2.637 .  3.506 2.930 2.313  3.210     .  0  0 "[    .    1    .    2]" 1 
       1441 2 30 ILE MG   2 31 PRO HD2  2.771 .  3.731 2.843 2.196  3.806 0.075  4  0 "[    .    1    .    2]" 1 
       1442 2 30 ILE MG   2 31 PRO HD3  3.348 .  4.749 3.644 3.239  4.709     .  0  0 "[    .    1    .    2]" 1 
       1443 2 31 PRO HA   2 31 PRO HB3  2.354 .  3.046 2.289 2.270  2.322     .  0  0 "[    .    1    .    2]" 1 
       1444 2 31 PRO HA   2 31 PRO QG   2.989 .  4.106 3.273 2.900  3.535     .  0  0 "[    .    1    .    2]" 1 
       1445 2 31 PRO HA   2 32 PRO HD2  2.174 .  2.765 2.383 1.840  2.785 0.020  8  0 "[    .    1    .    2]" 1 
       1446 2 31 PRO HA   2 32 PRO HD3  2.198 .  2.802 2.089 1.818  2.582     .  0  0 "[    .    1    .    2]" 1 
       1447 2 31 PRO HB3  2 31 PRO HD2  2.912 .  3.972 3.542 3.223  3.739     .  0  0 "[    .    1    .    2]" 1 
       1448 2 32 PRO HA   2 32 PRO HG2  2.899 .  3.949 3.938 3.862  4.044 0.095  6  0 "[    .    1    .    2]" 1 
       1449 2 32 PRO HA   2 33 ALA H    2.410 .  3.136 2.164 2.132  2.399     .  0  0 "[    .    1    .    2]" 1 
       1450 2 32 PRO HB2  2 33 ALA H    4.809 .  7.700 3.776 3.007  4.134     .  0  0 "[    .    1    .    2]" 1 
       1451 2 32 PRO HB3  2 33 ALA H    3.366 .  4.782 3.778 3.022  4.166     .  0  0 "[    .    1    .    2]" 1 
       1452 2 33 ALA H    2 33 ALA HA   2.794 .  3.770 2.882 2.799  2.944     .  0  0 "[    .    1    .    2]" 1 
       1453 2 33 ALA H    2 33 ALA MB   2.792 .  3.766 2.282 2.234  2.509     .  0  0 "[    .    1    .    2]" 1 
       1454 2 33 ALA HA   2 33 ALA MB   2.274 .  2.920 2.131 2.128  2.135     .  0  0 "[    .    1    .    2]" 1 
       1455 2 33 ALA HA   2 34 PRO HD2  2.230 .  2.851 2.467 1.872  2.974 0.123  5  0 "[    .    1    .    2]" 1 
       1456 2 33 ALA HA   2 34 PRO HD3  2.303 .  2.966 1.992 1.761  2.594     .  0  0 "[    .    1    .    2]" 1 
       1457 2 33 ALA MB   2 34 PRO HD2  3.257 .  4.583 2.985 2.526  3.436     .  0  0 "[    .    1    .    2]" 1 
       1458 2 33 ALA MB   2 34 PRO HD3  2.586 .  3.422 3.494 2.881  3.989 0.567 16  2 "[    .    1    .+  -2]" 1 
       1459 2 34 PRO HA   2 34 PRO HB2  2.456 .  3.210 2.854 2.680  2.987     .  0  0 "[    .    1    .    2]" 1 
       1460 2 34 PRO HA   2 34 PRO QG   3.311 .  4.681 3.231 2.852  3.535     .  0  0 "[    .    1    .    2]" 1 
       1461 2 34 PRO HA   2 35 ASN H    2.662 .  3.548 2.663 2.132  3.552 0.004 16  0 "[    .    1    .    2]" 1 
       1462 2 34 PRO HD2  2 34 PRO QG   2.196 .  2.799 2.221 2.174  2.256     .  0  0 "[    .    1    .    2]" 1 
       1463 2 34 PRO HD3  2 34 PRO QG   2.343 .  3.029 2.200 2.183  2.250     .  0  0 "[    .    1    .    2]" 1 
       1464 2 35 ASN HA   2 35 ASN HB2  2.304 .  2.968 2.618 2.432  3.035 0.067 16  0 "[    .    1    .    2]" 1 
       1465 2 35 ASN HA   2 36 TRP H    2.915 .  3.977 2.632 2.147  3.562     .  0  0 "[    .    1    .    2]" 1 
       1466 2 35 ASN QB   2 36 TRP H    4.709 .  7.481 3.226 1.936  4.026 0.001  7  0 "[    .    1    .    2]" 1 
       1467 2 36 TRP H    2 36 TRP HB2  3.653 .  5.321 2.897 2.463  3.866     .  0  0 "[    .    1    .    2]" 1 
       1468 2 36 TRP H    2 36 TRP HB3  3.287 .  4.638 3.303 2.437  4.068     .  0  0 "[    .    1    .    2]" 1 
       1469 2 36 TRP HA   2 36 TRP HB2  2.714 .  3.635 2.784 2.423  3.032     .  0  0 "[    .    1    .    2]" 1 
       1470 2 36 TRP HA   2 36 TRP HB3  2.645 .  3.520 2.648 2.367  3.035     .  0  0 "[    .    1    .    2]" 1 
       1471 2 36 TRP HA   2 36 TRP HD1  4.569 .  7.178 3.606 2.478  4.597     .  0  0 "[    .    1    .    2]" 1 
       1472 2 36 TRP HA   2 36 TRP HE3  4.133 .  6.268 3.995 2.291  5.178     .  0  0 "[    .    1    .    2]" 1 
       1473 2 36 TRP HB3  2 36 TRP HD1  3.805 .  5.615 3.169 2.544  3.893     .  0  0 "[    .    1    .    2]" 1 
    stop_

save_



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