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
450183 2pxg 6797 cing 4-filtered-FRED Wattos check violation distance


data_2pxg


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              822
    _Distance_constraint_stats_list.Viol_count                    4488
    _Distance_constraint_stats_list.Viol_total                    9329.879
    _Distance_constraint_stats_list.Viol_max                      3.390
    _Distance_constraint_stats_list.Viol_rms                      0.1097
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0284
    _Distance_constraint_stats_list.Viol_average_violations_only  0.1039
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       
;
Description of the tags in this list:
*  1 * Administrative tag
*  2 * Administrative tag
*  3 * Administrative tag
*  4 * ID of the restraint list.                                                              
*  5 * Number of restraints in list.                                                          
*  6 * Number of violated restraints (each model violation is used).                          
*  7 * Sum of violations in Angstrom.                                                         
*  8 * Maximum violation of a restraint without averaging in any way.                         
*  9 * Rms of violations over all restraints.                                                 
*  10 * Average violation over all restraints.                                                 
*  11 * Average violation over violated restraints.                                            
           This violation is averaged over only those models in which the restraint is violated.   
           These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).     
*  12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
*  13 * This tag                                                                               

Description of the tags in the per residue table below:
*  1 * Chain identifier (can be absent if none defined)                   
*  2 * Residue number                                                     
*  3 * Residue name                                                       
*  4 * Maximum violation in ensemble of models (without any averaging)
*  5 * Model number with the maximum violation
*  6 * Number of models with a violation above cutoff
*  7 * List of models (1 character per model) with a violation above cutoff.
           An '*' marks a violation above the cutoff. A '+' indicates the largest
           violation above the cutoff and a '-' marks the smallest violation over cutoff.
           For models  5, 15, 25,... a ' ' is replaced by a '.'.
           For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
*  8 * Administrative tag
*  9 * Administrative tag

Description of the tags in the per restraint table below:
*  1 * Restraint ID within restraint list.                                
           First node, FIRST member, first atom's:                              
*  2 * Chain identifier (can be absent if none defined)                   
*  3 * Residue number                                                     
*  4 * Residue name                                                       
*  5 * Name of (pseudo-)atom                                              
           First node, SECOND member, first atom's:                             
*  6 * Chain identifier (can be absent if none defined)                   
*  7 * Residue number                                                     
*  8 * Residue name                                                       
*  9 * Name of (pseudo-)atom                                              
           FIRST node's:
*  10 * Target distance value (Angstrom)
*  11 * Lower bound distance (Angstrom)
*  12 * Upper bound distance (Angstrom)
*  13 * Average distance in ensemble of models
*  14 * Minimum distance in ensemble of models
*  15 * Maximum distance in ensemble of models
*  16 * Maximum violation (without any averaging)
*  17 * Model number with the maximum violation
*  18 * Number of models with a violation above cutoff
*  19 * List of models with a violation above cutoff. See description above.
*  20 * Administrative tag
*  21 * Administrative tag
;


    loop_
       _Distance_constraint_stats_per_res.Atom_entity_assembly_ID
       _Distance_constraint_stats_per_res.Atom_comp_index_ID
       _Distance_constraint_stats_per_res.Atom_comp_ID
       _Distance_constraint_stats_per_res.Total_violation
       _Distance_constraint_stats_per_res.Max_violation
       _Distance_constraint_stats_per_res.Max_violation_model_number
       _Distance_constraint_stats_per_res.Over_cutoff_viol_count
       _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model

       1   1 MET  2.422 0.559 20  1 "[    .    1    .    +]" 
       1   2 ALA  3.422 0.559 20  1 "[    .    1    .    +]" 
       1   3 GLY  1.072 0.189 12  0 "[    .    1    .    2]" 
       1   4 SER  0.492 0.118  6  0 "[    .    1    .    2]" 
       1   5 GLY  1.128 0.278  5  0 "[    .    1    .    2]" 
       1   6 ILE  3.115 0.310  3  0 "[    .    1    .    2]" 
       1   7 ILE  2.835 0.455  8  0 "[    .    1    .    2]" 
       1   8 TYR  4.334 0.270 19  0 "[    .    1    .    2]" 
       1   9 LYS  3.783 0.243 15  0 "[    .    1    .    2]" 
       1  10 GLN  3.113 0.233  3  0 "[    .    1    .    2]" 
       1  11 PRO  2.189 0.265 17  0 "[    .    1    .    2]" 
       1  12 ILE  4.496 0.265 17  0 "[    .    1    .    2]" 
       1  13 TYR  6.359 0.455 15  0 "[    .    1    .    2]" 
       1  14 GLN 11.284 0.455 15  0 "[    .    1    .    2]" 
       1  15 GLY  5.849 0.598 19  1 "[    .    1    .   +2]" 
       1  16 ASN 26.009 1.919  5 15 "[ * *+***** * **** *-]" 
       1  17 LEU  4.176 0.738  9  4 "[    .   +1 *  .   -*]" 
       1  18 ILE 27.338 1.919  5 16 "[ ***+***** * **** *-]" 
       1  19 LYS 16.336 0.954  3  8 "[  +**  * 1**  .- * 2]" 
       1  20 GLN 10.163 0.748 11  6 "[   **  * 1+   .- * 2]" 
       1  21 ASN  8.629 0.540 16  1 "[    .    1    .+   2]" 
       1  22 ALA  5.259 0.954  3  2 "[  + .    1 -  .    2]" 
       1  23 VAL  5.037 0.241  3  0 "[    .    1    .    2]" 
       1  24 GLU  6.497 0.342  3  0 "[    .    1    .    2]" 
       1  25 GLN  5.042 0.218  8  0 "[    .    1    .    2]" 
       1  26 LEU 18.702 0.989 18  7 "[  * .* * 1-  **  + 2]" 
       1  27 GLN  3.864 0.280 19  0 "[    .    1    .    2]" 
       1  28 VAL  3.991 0.175 14  0 "[    .    1    .    2]" 
       1  29 GLY  3.496 0.237  5  0 "[    .    1    .    2]" 
       1  30 GLN  4.578 1.160 17  1 "[    .    1    . +  2]" 
       1  31 SER  7.623 0.447  5  0 "[    .    1    .    2]" 
       1  32 LYS  3.165 0.217  1  0 "[    .    1    .    2]" 
       1  33 GLN  5.678 0.217  1  0 "[    .    1    .    2]" 
       1  34 GLN  7.259 0.188  3  0 "[    .    1    .    2]" 
       1  35 VAL  8.333 0.180  8  0 "[    .    1    .    2]" 
       1  36 SER 13.021 0.191  6  0 "[    .    1    .    2]" 
       1  37 ALA  8.140 0.260  6  0 "[    .    1    .    2]" 
       1  38 LEU  8.905 0.206 15  0 "[    .    1    .    2]" 
       1  39 LEU 47.898 3.390  2 17 "[ +********* **.****-]" 
       1  40 GLY  9.402 0.252  8  0 "[    .    1    .    2]" 
       1  41 THR  5.151 0.260  6  0 "[    .    1    .    2]" 
       1  42 PRO  1.780 0.110  7  0 "[    .    1    .    2]" 
       1  43 SER  7.448 0.431 14  0 "[    .    1    .    2]" 
       1  44 ILE  6.457 0.431 14  0 "[    .    1    .    2]" 
       1  45 PRO  2.984 0.226  5  0 "[    .    1    .    2]" 
       1  46 ASP  5.198 0.344 19  0 "[    .    1    .    2]" 
       1  47 PRO  2.998 0.332 16  0 "[    .    1    .    2]" 
       1  48 PHE  7.181 0.344 19  0 "[    .    1    .    2]" 
       1  49 HIS  3.269 0.340 15  0 "[    .    1    .    2]" 
       1  50 ALA  2.576 0.332 16  0 "[    .    1    .    2]" 
       1  51 GLN  4.957 0.355 14  0 "[    .    1    .    2]" 
       1  52 ARG  8.677 0.362 19  0 "[    .    1    .    2]" 
       1  53 TRP  5.655 0.218 14  0 "[    .    1    .    2]" 
       1  54 ASP  2.737 0.351 14  0 "[    .    1    .    2]" 
       1  55 TYR  3.594 0.351 14  0 "[    .    1    .    2]" 
       1  56 THR  3.769 0.435 19  0 "[    .    1    .    2]" 
       1  57 SER 15.778 0.724 12 11 "[**  *  ****+* .-  *2]" 
       1  58 THR 25.062 1.578 10 11 "[    * * *+**- *** *2]" 
       1  59 GLN 17.375 1.015  5 12 "[ ***+*- *1 ***.   **]" 
       1  60 ARG  2.556 0.592 14  1 "[    .    1   +.    2]" 
       1  61 VAL  7.111 0.562 11  1 "[    .    1+   .    2]" 
       1  62 ASP  4.476 0.562 11  1 "[    .    1+   .    2]" 
       1  63 ARG  1.378 0.368 14  0 "[    .    1    .    2]" 
       1  64 LEU  2.750 0.246  6  0 "[    .    1    .    2]" 
       1  65 ALA  0.915 0.128 16  0 "[    .    1    .    2]" 
       1  66 ARG  3.315 0.351 20  0 "[    .    1    .    2]" 
       1  67 THR  5.463 0.351 20  0 "[    .    1    .    2]" 
       1  68 GLU 13.947 1.015  5 12 "[ ***+*- *1 ***.   **]" 
       1  69 ILE 24.434 1.578 10 11 "[    * * *+*-* *** *2]" 
       1  70 LYS  3.966 0.313 12  0 "[    .    1    .    2]" 
       1  71 ASN 26.126 1.451 14 15 "[*** ** ******+.-  **]" 
       1  72 PHE  3.347 0.433  9  0 "[    .    1    .    2]" 
       1  73 THR  9.486 0.246 15  0 "[    .    1    .    2]" 
       1  74 VAL  6.683 0.387  8  0 "[    .    1    .    2]" 
       1  75 PHE  3.535 0.152 13  0 "[    .    1    .    2]" 
       1  76 PHE 11.309 0.362 19  0 "[    .    1    .    2]" 
       1  77 GLU  6.698 0.272  6  0 "[    .    1    .    2]" 
       1  78 ASN  2.868 0.173  8  0 "[    .    1    .    2]" 
       1  79 GLU  1.805 0.144 15  0 "[    .    1    .    2]" 
       1  80 GLN 11.262 0.447  5  0 "[    .    1    .    2]" 
       1  81 VAL 10.695 1.160 17  1 "[    .    1    . +  2]" 
       1  82 VAL  2.022 0.166 18  0 "[    .    1    .    2]" 
       1  83 ARG  6.585 0.471  1  0 "[    .    1    .    2]" 
       1  84 TRP 16.430 0.989 18  7 "[  * .* * 1-  **  + 2]" 
       1  85 GLU  5.640 0.387  8  0 "[    .    1    .    2]" 
       1  86 GLY  1.935 0.242 12  0 "[    .    1    .    2]" 
       1  87 ASP  1.094 0.299 12  0 "[    .    1    .    2]" 
       1  88 TYR 10.061 1.451 14  5 "[  - .* * 1   +.    *]" 
       1  89 PHE 34.210 3.390  2 17 "[ +********* **.****-]" 
       1  90 PRO  4.172 0.239  6  0 "[    .    1    .    2]" 
       1  91 SER  4.683 0.521  8  1 "[    .  + 1    .    2]" 
       1  92 GLN  5.755 0.536  7  2 "[    . +- 1    .    2]" 
       1  93 ASP 18.605 0.728 18 16 "[*-*** *  *****.**+**]" 
       1  94 GLU  9.506 0.580 12  3 "[  * -    1 +  .    2]" 
       1  95 GLN  9.354 0.651  4  5 "[  *+-    1 *  .*   2]" 
       1  96 LEU  5.393 0.651  4  2 "[   +.    1    .-   2]" 
       1  97 ALA  1.846 0.421  5  0 "[    .    1    .    2]" 
       1  98 LYS  1.480 0.421  5  0 "[    .    1    .    2]" 
       1  99 ALA  2.591 0.275  7  0 "[    .    1    .    2]" 
       1 100 ALA  1.962 0.275  7  0 "[    .    1    .    2]" 
       1 101 PRO  0.828 0.219 13  0 "[    .    1    .    2]" 
       1 102 LYS  0.878 0.105  1  0 "[    .    1    .    2]" 
       1 103 GLN  2.315 0.491  6  0 "[    .    1    .    2]" 
       1 104 PHE  6.336 0.491  6  0 "[    .    1    .    2]" 
       1 105 GLY  4.884 0.377 19  0 "[    .    1    .    2]" 
       1 106 ARG  0.946 0.143 12  0 "[    .    1    .    2]" 
       1 107 ASN  1.521 0.143 12  0 "[    .    1    .    2]" 
       1 108 LEU  3.358 0.337 20  0 "[    .    1    .    2]" 
       1 109 ALA  4.479 0.519 17  3 "[    .    1*   . + -2]" 
       1 110 ARG  3.883 0.519 17  3 "[    .    1*   . + -2]" 
       1 111 ASP  4.531 0.322 13  0 "[    .    1    .    2]" 
       1 112 LYS  6.189 0.370 13  0 "[    .    1    .    2]" 
       1 113 LYS  4.526 0.370 13  0 "[    .    1    .    2]" 
       1 114 LYS  2.997 0.537  1  1 "[+   .    1    .    2]" 
       1 115 GLN  7.760 0.537  1  1 "[+   .    1    .    2]" 
       1 116 ARG  7.026 0.495 10  0 "[    .    1    .    2]" 
       1 117 GLY  7.068 0.495 10  0 "[    .    1    .    2]" 
       1 118 ARG  1.360 0.412  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   1 MET HA  1   2 ALA MB   4.540 . 4.540 4.382 3.929 5.099 0.559 20  1 "[    .    1    .    +]" 1 
         2 1   2 ALA H   1   3 GLY H    4.350 . 4.350 4.294 3.179 4.539 0.189 12  0 "[    .    1    .    2]" 1 
         3 1   2 ALA HA  1   2 ALA MB   2.490 . 2.490 2.173 2.159 2.195     .  0  0 "[    .    1    .    2]" 1 
         4 1   2 ALA HA  1   3 GLY H    2.270 . 2.270 2.171 2.096 2.287 0.017  4  0 "[    .    1    .    2]" 1 
         5 1   3 GLY H   1   3 GLY QA   2.560 . 2.560 2.398 2.291 2.592 0.032 11  0 "[    .    1    .    2]" 1 
         6 1   3 GLY H   1   4 SER H    3.930 . 3.930 3.338 2.657 3.961 0.031 19  0 "[    .    1    .    2]" 1 
         7 1   3 GLY QA  1   4 SER H    2.970 . 2.970 2.419 2.166 2.733     .  0  0 "[    .    1    .    2]" 1 
         8 1   4 SER H   1   5 GLY H    4.120 . 4.120 3.997 3.351 4.238 0.118  6  0 "[    .    1    .    2]" 1 
         9 1   4 SER HA  1   5 GLY H    2.250 . 2.250 2.206 2.100 2.338 0.088  4  0 "[    .    1    .    2]" 1 
        10 1   4 SER HA  1   5 GLY HA2  4.630 . 4.630 4.536 4.261 4.638 0.008 17  0 "[    .    1    .    2]" 1 
        11 1   4 SER HA  1   5 GLY HA3  4.630 . 4.630 4.528 4.045 4.646 0.016  4  0 "[    .    1    .    2]" 1 
        12 1   5 GLY H   1   5 GLY QA   2.550 . 2.550 2.371 2.264 2.587 0.037 11  0 "[    .    1    .    2]" 1 
        13 1   5 GLY H   1   6 ILE H    3.840 . 3.840 3.583 2.869 4.118 0.278  5  0 "[    .    1    .    2]" 1 
        14 1   5 GLY QA  1   6 ILE H    2.990 . 2.990 2.384 2.140 2.751     .  0  0 "[    .    1    .    2]" 1 
        15 1   6 ILE H   1   6 ILE HB   3.760 . 3.760 2.863 2.456 3.770 0.010 13  0 "[    .    1    .    2]" 1 
        16 1   6 ILE H   1   6 ILE MG   2.680 . 2.680 2.145 2.043 2.793 0.113 13  0 "[    .    1    .    2]" 1 
        17 1   6 ILE H   1   7 ILE H    3.900 . 3.900 3.897 3.454 4.210 0.310  3  0 "[    .    1    .    2]" 1 
        18 1   6 ILE HA  1   6 ILE HB   2.480 . 2.480 2.363 2.320 2.458     .  0  0 "[    .    1    .    2]" 1 
        19 1   6 ILE HA  1   6 ILE MG   3.390 . 3.390 3.228 2.232 3.290     .  0  0 "[    .    1    .    2]" 1 
        20 1   6 ILE HA  1   7 ILE H    2.320 . 2.320 2.264 2.070 2.477 0.157  8  0 "[    .    1    .    2]" 1 
        21 1   6 ILE HA  1   8 TYR H    4.600 . 4.600 4.595 4.241 4.870 0.270 19  0 "[    .    1    .    2]" 1 
        22 1   7 ILE H   1   7 ILE HB   2.650 . 2.650 2.684 2.447 3.105 0.455  8  0 "[    .    1    .    2]" 1 
        23 1   7 ILE H   1   7 ILE MG   3.470 . 3.470 2.182 2.099 2.407     .  0  0 "[    .    1    .    2]" 1 
        24 1   7 ILE H   1   8 TYR H    3.940 . 3.940 3.900 3.670 4.010 0.070 11  0 "[    .    1    .    2]" 1 
        25 1   7 ILE HA  1   7 ILE HB   2.400 . 2.400 2.399 2.370 2.424 0.024  7  0 "[    .    1    .    2]" 1 
        26 1   7 ILE HA  1   7 ILE MG   3.950 . 3.950 3.337 3.322 3.351     .  0  0 "[    .    1    .    2]" 1 
        27 1   7 ILE HA  1   8 TYR H    2.280 . 2.280 2.256 2.093 2.330 0.050  9  0 "[    .    1    .    2]" 1 
        28 1   7 ILE MD  1   8 TYR H    3.810 . 3.810 3.617 3.098 3.744     .  0  0 "[    .    1    .    2]" 1 
        29 1   8 TYR H   1   8 TYR HA   2.920 . 2.920 2.962 2.697 3.066 0.146 14  0 "[    .    1    .    2]" 1 
        30 1   8 TYR H   1   8 TYR QB   3.350 . 3.350 2.549 2.139 2.977     .  0  0 "[    .    1    .    2]" 1 
        31 1   8 TYR H   1   9 LYS H    4.390 . 4.390 4.364 3.920 4.633 0.243 15  0 "[    .    1    .    2]" 1 
        32 1   8 TYR HA  1   9 LYS H    2.240 . 2.240 2.177 2.082 2.301 0.061  4  0 "[    .    1    .    2]" 1 
        33 1   9 LYS H   1  10 GLN HA   4.520 . 4.520 4.579 3.882 4.753 0.233  3  0 "[    .    1    .    2]" 1 
        34 1   9 LYS HA  1   9 LYS QD   6.080 . 6.080 3.813 2.278 4.601     .  0  0 "[    .    1    .    2]" 1 
        35 1   9 LYS HA  1   9 LYS QG   3.980 . 3.980 2.665 2.262 3.464     .  0  0 "[    .    1    .    2]" 1 
        36 1   9 LYS HA  1  10 GLN H    2.190 . 2.190 2.173 2.089 2.309 0.119 20  0 "[    .    1    .    2]" 1 
        37 1   9 LYS QB  1  10 GLN H    5.400 . 5.400 3.720 2.913 4.090     .  0  0 "[    .    1    .    2]" 1 
        38 1  10 GLN H   1  10 GLN QB   3.860 . 3.860 2.559 2.300 3.102     .  0  0 "[    .    1    .    2]" 1 
        39 1  10 GLN H   1  10 GLN QG   4.750 . 4.750 2.781 2.301 4.106     .  0  0 "[    .    1    .    2]" 1 
        40 1  10 GLN HA  1  10 GLN QB   2.600 . 2.600 2.381 2.106 2.495     .  0  0 "[    .    1    .    2]" 1 
        41 1  10 GLN HA  1  11 PRO HD2  2.460 . 2.460 2.415 2.294 2.546 0.086  4  0 "[    .    1    .    2]" 1 
        42 1  10 GLN HA  1  11 PRO QD   2.220 . 2.220 2.150 2.088 2.218     .  0  0 "[    .    1    .    2]" 1 
        43 1  10 GLN HA  1  11 PRO HD3  2.460 . 2.460 2.429 2.228 2.568 0.108  3  0 "[    .    1    .    2]" 1 
        44 1  10 GLN QB  1  12 ILE H    5.360 . 5.360 3.802 3.332 4.306     .  0  0 "[    .    1    .    2]" 1 
        45 1  11 PRO HA  1  12 ILE H    2.380 . 2.380 2.439 2.287 2.645 0.265 17  0 "[    .    1    .    2]" 1 
        46 1  12 ILE H   1  12 ILE HA   2.930 . 2.930 2.993 2.858 3.065 0.135 19  0 "[    .    1    .    2]" 1 
        47 1  12 ILE H   1  12 ILE QG   5.550 . 5.550 4.362 4.122 4.673     .  0  0 "[    .    1    .    2]" 1 
        48 1  12 ILE H   1  13 TYR H    3.830 . 3.830 3.701 3.010 4.071 0.241 13  0 "[    .    1    .    2]" 1 
        49 1  12 ILE HA  1  12 ILE HB   2.410 . 2.410 2.408 2.365 2.465 0.055 13  0 "[    .    1    .    2]" 1 
        50 1  12 ILE HA  1  12 ILE MD   3.810 . 3.810 2.851 2.199 3.605     .  0  0 "[    .    1    .    2]" 1 
        51 1  12 ILE HA  1  12 ILE QG   3.640 . 3.640 2.606 2.250 3.042     .  0  0 "[    .    1    .    2]" 1 
        52 1  12 ILE HA  1  13 TYR H    2.250 . 2.250 2.214 2.058 2.343 0.093 18  0 "[    .    1    .    2]" 1 
        53 1  12 ILE HB  1  13 TYR H    4.470 . 4.470 4.473 4.282 4.545 0.075  1  0 "[    .    1    .    2]" 1 
        54 1  12 ILE QG  1  13 TYR H    5.350 . 5.350 3.929 3.294 4.353     .  0  0 "[    .    1    .    2]" 1 
        55 1  12 ILE MG  1  13 TYR H    4.980 . 4.980 4.361 4.120 4.470     .  0  0 "[    .    1    .    2]" 1 
        56 1  13 TYR H   1  13 TYR HA   2.930 . 2.930 2.984 2.884 3.073 0.143  2  0 "[    .    1    .    2]" 1 
        57 1  13 TYR H   1  13 TYR HD1  5.190 . 5.190 4.610 2.410 5.250 0.060 15  0 "[    .    1    .    2]" 1 
        58 1  13 TYR H   1  14 GLN H    4.010 . 4.010 4.002 2.852 4.465 0.455 15  0 "[    .    1    .    2]" 1 
        59 1  13 TYR HA  1  13 TYR HD1  4.340 . 4.340 2.927 2.324 4.341 0.001  7  0 "[    .    1    .    2]" 1 
        60 1  13 TYR HA  1  14 GLN H    2.200 . 2.200 2.187 2.032 2.463 0.263 12  0 "[    .    1    .    2]" 1 
        61 1  14 GLN H   1  14 GLN HA   2.800 . 2.800 2.877 2.782 3.002 0.202 12  0 "[    .    1    .    2]" 1 
        62 1  14 GLN H   1  14 GLN HB3  2.460 . 2.460 2.553 2.368 2.914 0.454 15  0 "[    .    1    .    2]" 1 
        63 1  14 GLN H   1  14 GLN QG   4.710 . 4.710 3.250 2.260 3.654     .  0  0 "[    .    1    .    2]" 1 
        64 1  14 GLN H   1  15 GLY H    3.130 . 3.130 3.016 2.547 3.485 0.355 12  0 "[    .    1    .    2]" 1 
        65 1  14 GLN HA  1  14 GLN HB3  2.410 . 2.410 2.401 2.161 2.508 0.098  3  0 "[    .    1    .    2]" 1 
        66 1  14 GLN HA  1  14 GLN QG   4.000 . 4.000 3.561 3.470 3.609     .  0  0 "[    .    1    .    2]" 1 
        67 1  14 GLN HA  1  15 GLY H    3.440 . 3.440 3.406 2.075 3.593 0.153  2  0 "[    .    1    .    2]" 1 
        68 1  14 GLN HA  1  16 ASN H    4.770 . 4.770 4.342 3.483 4.949 0.179  1  0 "[    .    1    .    2]" 1 
        69 1  14 GLN HB3 1  15 GLY H    4.150 . 4.150 4.118 3.940 4.412 0.262  9  0 "[    .    1    .    2]" 1 
        70 1  14 GLN QG  1  94 GLU H    4.450 . 4.450 3.499 2.261 4.297     .  0  0 "[    .    1    .    2]" 1 
        71 1  14 GLN HG2 1  94 GLU H    4.830 . 4.830 3.934 2.318 5.031 0.201 12  0 "[    .    1    .    2]" 1 
        72 1  14 GLN HG3 1  94 GLU H    4.830 . 4.830 4.179 2.489 4.966 0.136  4  0 "[    .    1    .    2]" 1 
        73 1  15 GLY H   1  16 ASN H    3.610 . 3.610 3.564 2.865 4.208 0.598 19  1 "[    .    1    .   +2]" 1 
        74 1  15 GLY QA  1  16 ASN H    2.980 . 2.980 2.400 2.117 2.837     .  0  0 "[    .    1    .    2]" 1 
        75 1  16 ASN H   1  16 ASN HA   2.780 . 2.780 2.918 2.757 3.058 0.278  1  0 "[    .    1    .    2]" 1 
        76 1  16 ASN H   1  16 ASN QB   3.360 . 3.360 2.598 2.139 3.300     .  0  0 "[    .    1    .    2]" 1 
        77 1  16 ASN H   1  17 LEU H    3.230 . 3.230 2.888 2.120 3.335 0.105  1  0 "[    .    1    .    2]" 1 
        78 1  16 ASN HA  1  17 LEU H    3.580 . 3.580 3.545 3.413 3.613 0.033  8  0 "[    .    1    .    2]" 1 
        79 1  16 ASN HA  1  18 ILE H    4.800 . 4.800 5.710 4.217 6.719 1.919  5 15 "[ * *+***** * **** *-]" 1 
        80 1  16 ASN QB  1  17 LEU H    4.010 . 4.010 2.691 2.122 3.330     .  0  0 "[    .    1    .    2]" 1 
        81 1  17 LEU H   1  17 LEU HB2  3.760 . 3.760 2.955 2.251 3.883 0.123  6  0 "[    .    1    .    2]" 1 
        82 1  17 LEU H   1  17 LEU QB   3.270 . 3.270 2.621 2.228 3.022     .  0  0 "[    .    1    .    2]" 1 
        83 1  17 LEU H   1  17 LEU HB3  3.760 . 3.760 3.441 2.681 3.816 0.056  5  0 "[    .    1    .    2]" 1 
        84 1  17 LEU H   1  17 LEU MD1  4.340 . 4.340 3.508 2.402 4.265     .  0  0 "[    .    1    .    2]" 1 
        85 1  17 LEU H   1  17 LEU MD2  3.690 . 3.690 3.256 1.831 4.428 0.738  9  4 "[    .   +1 *  .   -*]" 1 
        86 1  17 LEU HA  1  18 ILE H    3.600 . 3.600 3.581 3.433 3.707 0.107 19  0 "[    .    1    .    2]" 1 
        87 1  17 LEU QB  1  17 LEU MD2  3.980 . 3.980 2.292 2.074 2.570     .  0  0 "[    .    1    .    2]" 1 
        88 1  18 ILE H   1  18 ILE HB   2.360 . 2.360 2.358 2.157 2.501 0.141 14  0 "[    .    1    .    2]" 1 
        89 1  18 ILE H   1  18 ILE MD   4.970 . 4.970 3.877 2.939 4.345     .  0  0 "[    .    1    .    2]" 1 
        90 1  18 ILE H   1  18 ILE HG12 3.860 . 3.860 2.758 2.174 3.118     .  0  0 "[    .    1    .    2]" 1 
        91 1  18 ILE H   1  18 ILE QG   3.180 . 3.180 2.699 2.158 3.007     .  0  0 "[    .    1    .    2]" 1 
        92 1  18 ILE H   1  18 ILE HG13 3.860 . 3.860 3.899 3.627 4.122 0.262  8  0 "[    .    1    .    2]" 1 
        93 1  18 ILE H   1  18 ILE MG       . . 4.390 3.808 3.666 3.895     .  0  0 "[    .    1    .    2]" 1 
        94 1  18 ILE HA  1  18 ILE MD   3.010 . 3.010 2.206 2.018 2.429     .  0  0 "[    .    1    .    2]" 1 
        95 1  18 ILE HA  1  18 ILE QG   3.910 . 3.910 2.834 2.550 3.150     .  0  0 "[    .    1    .    2]" 1 
        96 1  18 ILE HA  1  18 ILE MG   2.890 . 2.890 2.716 2.529 2.877     .  0  0 "[    .    1    .    2]" 1 
        97 1  18 ILE HA  1  19 LYS H    3.580 . 3.580 2.284 2.061 3.601 0.021  3  0 "[    .    1    .    2]" 1 
        98 1  18 ILE HA  1  23 VAL QG       . . 3.310 2.635 2.181 3.124     .  0  0 "[    .    1    .    2]" 1 
        99 1  18 ILE HA  1  39 LEU QD       . . 2.580 2.834 2.330 3.164 0.584  6  4 "[  * .+ * 1    .    -]" 1 
       100 1  18 ILE MD  1  18 ILE QG   2.690 . 2.690 1.949 1.934 1.969     .  0  0 "[    .    1    .    2]" 1 
       101 1  18 ILE MD  1  23 VAL QG   4.060 . 4.060 2.742 2.020 3.090     .  0  0 "[    .    1    .    2]" 1 
       102 1  18 ILE MD  1  39 LEU QD   4.870 . 4.870 1.935 1.814 2.059 0.086  8  0 "[    .    1    .    2]" 1 
       103 1  18 ILE MD  1  88 TYR QD   4.550 . 4.550 2.518 2.009 3.216     .  0  0 "[    .    1    .    2]" 1 
       104 1  19 LYS H   1  20 GLN H    3.600 . 3.600 3.875 2.058 4.348 0.748 11  6 "[   **  * 1+   .- * 2]" 1 
       105 1  19 LYS HA  1  19 LYS QB   2.530 . 2.530 2.338 2.115 2.491     .  0  0 "[    .    1    .    2]" 1 
       106 1  19 LYS HA  1  20 GLN H    3.450 . 3.450 2.297 2.133 3.459 0.009  3  0 "[    .    1    .    2]" 1 
       107 1  19 LYS HA  1  21 ASN H    4.200 . 4.200 4.422 3.970 4.740 0.540 16  1 "[    .    1    .+   2]" 1 
       108 1  19 LYS HA  1  22 ALA H    4.820 . 4.820 4.901 3.841 5.774 0.954  3  2 "[  + .    1 -  .    2]" 1 
       109 1  19 LYS QG  1  39 LEU QD   8.040 . 8.040 5.581 3.030 6.288     .  0  0 "[    .    1    .    2]" 1 
       110 1  20 GLN H   1  20 GLN HA   2.840 . 2.840 2.875 2.727 3.034 0.194 11  0 "[    .    1    .    2]" 1 
       111 1  20 GLN H   1  20 GLN HB2  2.930 . 2.930 2.402 2.177 2.869     .  0  0 "[    .    1    .    2]" 1 
       112 1  20 GLN H   1  20 GLN QB   2.420 . 2.420 2.226 2.129 2.383     .  0  0 "[    .    1    .    2]" 1 
       113 1  20 GLN H   1  20 GLN HB3  2.930 . 2.930 2.711 2.423 3.012 0.082 17  0 "[    .    1    .    2]" 1 
       114 1  20 GLN H   1  20 GLN QG   5.340 . 5.340 4.081 3.774 4.218     .  0  0 "[    .    1    .    2]" 1 
       115 1  20 GLN H   1  21 ASN H    3.480 . 3.480 3.256 2.401 3.620 0.140  7  0 "[    .    1    .    2]" 1 
       116 1  20 GLN HA  1  20 GLN QG   3.910 . 3.910 2.555 2.294 3.102     .  0  0 "[    .    1    .    2]" 1 
       117 1  20 GLN HA  1  21 ASN H    3.530 . 3.530 3.156 2.313 3.590 0.060 14  0 "[    .    1    .    2]" 1 
       118 1  20 GLN QB  1  23 VAL H    7.580 . 7.580 5.413 4.794 5.925     .  0  0 "[    .    1    .    2]" 1 
       119 1  21 ASN H   1  22 ALA H    2.740 . 2.740 2.530 2.108 2.808 0.068 19  0 "[    .    1    .    2]" 1 
       120 1  21 ASN H   1  23 VAL H    4.130 . 4.130 3.609 2.533 4.329 0.199  1  0 "[    .    1    .    2]" 1 
       121 1  21 ASN H   1  24 GLU H    4.920 . 4.920 4.149 2.650 5.076 0.156  1  0 "[    .    1    .    2]" 1 
       122 1  21 ASN HA  1  24 GLU H    3.590 . 3.590 3.501 2.983 3.932 0.342  3  0 "[    .    1    .    2]" 1 
       123 1  21 ASN HA  1  24 GLU HB2  4.120 . 4.120 3.622 3.033 4.191 0.071  1  0 "[    .    1    .    2]" 1 
       124 1  21 ASN HA  1  24 GLU QB   3.540 . 3.540 2.531 2.094 3.289     .  0  0 "[    .    1    .    2]" 1 
       125 1  21 ASN HA  1  24 GLU HB3  4.120 . 4.120 2.595 2.123 3.509     .  0  0 "[    .    1    .    2]" 1 
       126 1  21 ASN HA  1  25 GLN H    4.050 . 4.050 3.869 3.525 4.220 0.170 11  0 "[    .    1    .    2]" 1 
       127 1  22 ALA H   1  23 VAL H    2.780 . 2.780 2.679 2.296 3.021 0.241  3  0 "[    .    1    .    2]" 1 
       128 1  22 ALA H   1  24 GLU H    4.520 . 4.520 4.064 2.695 4.390     .  0  0 "[    .    1    .    2]" 1 
       129 1  22 ALA H   1  25 GLN H    4.900 . 4.900 4.551 3.140 4.802     .  0  0 "[    .    1    .    2]" 1 
       130 1  22 ALA HA  1  24 GLU H    4.810 . 4.810 4.467 4.081 4.671     .  0  0 "[    .    1    .    2]" 1 
       131 1  22 ALA HA  1  25 GLN H    3.630 . 3.630 3.317 2.888 3.664 0.034 19  0 "[    .    1    .    2]" 1 
       132 1  22 ALA HA  1  25 GLN HB2  4.450 . 4.450 3.419 2.174 4.446     .  0  0 "[    .    1    .    2]" 1 
       133 1  22 ALA HA  1  25 GLN QB   3.620 . 3.620 2.538 2.161 3.207     .  0  0 "[    .    1    .    2]" 1 
       134 1  22 ALA HA  1  25 GLN HB3  4.450 . 4.450 2.986 2.228 4.450     .  0  0 "[    .    1    .    2]" 1 
       135 1  22 ALA HA  1  26 LEU H    3.850 . 3.850 3.776 3.437 4.021 0.171 16  0 "[    .    1    .    2]" 1 
       136 1  23 VAL H   1  23 VAL HA   2.940 . 2.940 2.963 2.934 3.005 0.065  5  0 "[    .    1    .    2]" 1 
       137 1  23 VAL H   1  23 VAL HB   2.710 . 2.710 2.681 2.464 2.817 0.107 19  0 "[    .    1    .    2]" 1 
       138 1  23 VAL H   1  23 VAL QG       . . 2.320 2.305 2.227 2.410 0.090 11  0 "[    .    1    .    2]" 1 
       139 1  23 VAL H   1  24 GLU H    2.920 . 2.920 2.755 2.630 2.917     .  0  0 "[    .    1    .    2]" 1 
       140 1  23 VAL H   1  25 GLN H    4.240 . 4.240 4.200 3.971 4.304 0.064 19  0 "[    .    1    .    2]" 1 
       141 1  23 VAL H   1  26 LEU H    4.740 . 4.740 4.781 4.706 4.850 0.110 13  0 "[    .    1    .    2]" 1 
       142 1  23 VAL HA  1  23 VAL QG   2.590 . 2.590 2.187 2.141 2.250     .  0  0 "[    .    1    .    2]" 1 
       143 1  23 VAL HA  1  24 GLU H    3.530 . 3.530 3.563 3.539 3.598 0.068 13  0 "[    .    1    .    2]" 1 
       144 1  23 VAL HA  1  26 LEU H    3.630 . 3.630 3.465 3.172 3.693 0.063  6  0 "[    .    1    .    2]" 1 
       145 1  23 VAL HA  1  26 LEU MD1  4.040 . 4.040 3.608 3.455 3.720     .  0  0 "[    .    1    .    2]" 1 
       146 1  23 VAL HA  1  26 LEU MD2      . . 2.300 2.144 2.073 2.191     .  0  0 "[    .    1    .    2]" 1 
       147 1  23 VAL HB  1  23 VAL QG   2.530 . 2.530 1.957 1.943 1.969     .  0  0 "[    .    1    .    2]" 1 
       148 1  23 VAL HB  1  24 GLU H    2.990 . 2.990 2.944 2.776 3.178 0.188  3  0 "[    .    1    .    2]" 1 
       149 1  23 VAL QG  1  24 GLU H    3.990 . 3.990 3.463 3.375 3.581     .  0  0 "[    .    1    .    2]" 1 
       150 1  23 VAL QG  1  24 GLU HA   4.150 . 4.150 3.967 3.795 4.078     .  0  0 "[    .    1    .    2]" 1 
       151 1  23 VAL QG  1  26 LEU MD1  5.550 . 5.550 3.193 2.931 3.390     .  0  0 "[    .    1    .    2]" 1 
       152 1  23 VAL QG  1  26 LEU MD2  4.380 . 4.380 2.341 2.110 2.458     .  0  0 "[    .    1    .    2]" 1 
       153 1  23 VAL QG  1  72 PHE HD1  4.570 . 4.570 4.047 3.641 4.319     .  0  0 "[    .    1    .    2]" 1 
       154 1  23 VAL QG  1  72 PHE HE1  5.100 . 5.100 2.489 2.175 2.813     .  0  0 "[    .    1    .    2]" 1 
       155 1  23 VAL QG  1  84 TRP HD1  4.380 . 4.380 3.182 2.842 3.755     .  0  0 "[    .    1    .    2]" 1 
       156 1  23 VAL QG  1  88 TYR QE   4.530 . 4.530 2.794 1.966 4.331     .  0  0 "[    .    1    .    2]" 1 
       157 1  24 GLU H   1  24 GLU HB2  2.630 . 2.630 2.552 2.291 2.743 0.113 18  0 "[    .    1    .    2]" 1 
       158 1  24 GLU H   1  24 GLU HB3  2.630 . 2.630 2.439 2.121 2.870 0.240 13  0 "[    .    1    .    2]" 1 
       159 1  24 GLU H   1  25 GLN H    2.780 . 2.780 2.722 2.422 2.870 0.090 17  0 "[    .    1    .    2]" 1 
       160 1  24 GLU H   1  26 LEU H    4.400 . 4.400 4.337 4.251 4.433 0.033 16  0 "[    .    1    .    2]" 1 
       161 1  24 GLU HA  1  24 GLU QG   3.340 . 3.340 2.637 2.370 2.850     .  0  0 "[    .    1    .    2]" 1 
       162 1  24 GLU HA  1  25 GLN H    3.500 . 3.500 3.560 3.516 3.589 0.089 20  0 "[    .    1    .    2]" 1 
       163 1  24 GLU HA  1  26 LEU H    4.680 . 4.680 4.703 4.568 4.779 0.099 18  0 "[    .    1    .    2]" 1 
       164 1  25 GLN H   1  26 LEU H    2.780 . 2.780 2.880 2.783 2.998 0.218  8  0 "[    .    1    .    2]" 1 
       165 1  25 GLN HA  1  25 GLN QB   2.670 . 2.670 2.418 2.100 2.588     .  0  0 "[    .    1    .    2]" 1 
       166 1  25 GLN HA  1  25 GLN QG   3.970 . 3.970 2.679 2.284 3.535     .  0  0 "[    .    1    .    2]" 1 
       167 1  25 GLN HA  1  26 LEU H    3.540 . 3.540 3.557 3.439 3.613 0.073 13  0 "[    .    1    .    2]" 1 
       168 1  25 GLN HA  1  27 GLN H    4.250 . 4.250 3.972 3.368 4.370 0.120  7  0 "[    .    1    .    2]" 1 
       169 1  26 LEU H   1  26 LEU HA   2.740 . 2.740 2.812 2.697 2.909 0.169  8  0 "[    .    1    .    2]" 1 
       170 1  26 LEU H   1  26 LEU HB2  3.690 . 3.690 3.735 3.719 3.758 0.068  3  0 "[    .    1    .    2]" 1 
       171 1  26 LEU H   1  26 LEU HB3  2.520 . 2.520 2.586 2.549 2.642 0.122 15  0 "[    .    1    .    2]" 1 
       172 1  26 LEU H   1  26 LEU MD1  4.880 . 4.880 3.805 3.628 3.946     .  0  0 "[    .    1    .    2]" 1 
       173 1  26 LEU H   1  26 LEU MD2  4.720 . 4.720 3.571 3.494 3.654     .  0  0 "[    .    1    .    2]" 1 
       174 1  26 LEU H   1  26 LEU HG   2.510 . 2.510 2.436 2.272 2.540 0.030 12  0 "[    .    1    .    2]" 1 
       175 1  26 LEU H   1  27 GLN H    3.260 . 3.260 3.102 2.807 3.341 0.081  7  0 "[    .    1    .    2]" 1 
       176 1  26 LEU HA  1  26 LEU HB3  2.300 . 2.300 2.292 2.239 2.326 0.026 14  0 "[    .    1    .    2]" 1 
       177 1  26 LEU HA  1  26 LEU MD1  4.580 . 4.580 3.808 3.783 3.837     .  0  0 "[    .    1    .    2]" 1 
       178 1  26 LEU HA  1  26 LEU MD2  4.820 . 4.820 4.074 4.045 4.099     .  0  0 "[    .    1    .    2]" 1 
       179 1  26 LEU HA  1  26 LEU HG   3.830 . 3.830 3.793 3.771 3.823     .  0  0 "[    .    1    .    2]" 1 
       180 1  26 LEU HA  1  27 GLN H    3.440 . 3.440 3.428 3.363 3.495 0.055 14  0 "[    .    1    .    2]" 1 
       181 1  26 LEU HA  1  28 VAL H    4.940 . 4.940 4.982 4.876 5.098 0.158  7  0 "[    .    1    .    2]" 1 
       182 1  26 LEU HB3 1  26 LEU MD1  3.790 . 3.790 3.315 3.290 3.329     .  0  0 "[    .    1    .    2]" 1 
       183 1  26 LEU HB3 1  26 LEU MD2  3.620 . 3.620 2.261 2.233 2.285     .  0  0 "[    .    1    .    2]" 1 
       184 1  26 LEU HB3 1  26 LEU HG   2.590 . 2.590 2.571 2.536 2.627 0.037 19  0 "[    .    1    .    2]" 1 
       185 1  26 LEU HB3 1  27 GLN H    4.360 . 4.360 4.288 4.063 4.390 0.030 12  0 "[    .    1    .    2]" 1 
       186 1  26 LEU HB3 1  84 TRP HZ2  5.440 . 5.440 5.792 5.083 6.429 0.989 18  7 "[  * .* * 1-  **  + 2]" 1 
       187 1  26 LEU QD  1  72 PHE HE2  7.340 . 7.340 5.146 4.695 5.490     .  0  0 "[    .    1    .    2]" 1 
       188 1  26 LEU MD1 1  84 TRP HD1  6.390 . 6.390 5.846 5.660 6.065     .  0  0 "[    .    1    .    2]" 1 
       189 1  26 LEU MD1 1  84 TRP HE3  5.250 . 5.250 4.780 4.104 4.946     .  0  0 "[    .    1    .    2]" 1 
       190 1  26 LEU MD2 1  28 VAL MG2      . . 4.130 3.496 3.353 3.570     .  0  0 "[    .    1    .    2]" 1 
       191 1  26 LEU HG  1  27 GLN H    3.430 . 3.430 3.276 2.741 3.544 0.114 20  0 "[    .    1    .    2]" 1 
       192 1  27 GLN H   1  27 GLN HA   2.380 . 2.380 2.392 2.348 2.453 0.073 19  0 "[    .    1    .    2]" 1 
       193 1  27 GLN H   1  27 GLN HB2  2.650 . 2.650 2.611 2.493 2.884 0.234 19  0 "[    .    1    .    2]" 1 
       194 1  27 GLN H   1  27 GLN HB3  3.460 . 3.460 3.480 3.326 3.740 0.280 19  0 "[    .    1    .    2]" 1 
       195 1  27 GLN H   1  27 GLN QE   5.880 . 5.880 4.638 3.089 5.396     .  0  0 "[    .    1    .    2]" 1 
       196 1  27 GLN H   1  27 GLN QG   5.820 . 5.820 4.065 2.011 4.441     .  0  0 "[    .    1    .    2]" 1 
       197 1  27 GLN H   1  28 VAL H    3.250 . 3.250 3.280 3.174 3.425 0.175 14  0 "[    .    1    .    2]" 1 
       198 1  27 GLN HA  1  27 GLN QG   3.670 . 3.670 2.634 2.256 3.149     .  0  0 "[    .    1    .    2]" 1 
       199 1  27 GLN HA  1  28 VAL H    2.620 . 2.620 2.564 2.284 2.664 0.044  5  0 "[    .    1    .    2]" 1 
       200 1  27 GLN HB3 1  27 GLN QG   2.660 . 2.660 2.304 2.176 2.457     .  0  0 "[    .    1    .    2]" 1 
       201 1  27 GLN HB3 1  28 VAL H    4.390 . 4.390 4.392 4.340 4.449 0.059  7  0 "[    .    1    .    2]" 1 
       202 1  28 VAL H   1  28 VAL HB   2.490 . 2.490 2.521 2.460 2.591 0.101  7  0 "[    .    1    .    2]" 1 
       203 1  28 VAL H   1  84 TRP HH2  2.230 . 2.230 2.199 2.077 2.319 0.089  3  0 "[    .    1    .    2]" 1 
       204 1  28 VAL H   1  84 TRP HZ3  3.860 . 3.860 3.763 3.404 3.917 0.057 13  0 "[    .    1    .    2]" 1 
       205 1  28 VAL HA  1  29 GLY H    2.230 . 2.230 2.120 2.030 2.182     .  0  0 "[    .    1    .    2]" 1 
       206 1  28 VAL HA  1  30 GLN H    4.470 . 4.470 4.202 3.870 4.586 0.116 12  0 "[    .    1    .    2]" 1 
       207 1  28 VAL HA  1  84 TRP HH2  4.850 . 4.850 4.815 4.683 4.915 0.065 20  0 "[    .    1    .    2]" 1 
       208 1  28 VAL HB  1  28 VAL MG1  2.810 . 2.810 2.193 2.164 2.204     .  0  0 "[    .    1    .    2]" 1 
       209 1  28 VAL HB  1  28 VAL MG2  2.510 . 2.510 2.200 2.192 2.211     .  0  0 "[    .    1    .    2]" 1 
       210 1  28 VAL MG1 1  29 GLY H        . . 3.100 2.838 2.124 2.989     .  0  0 "[    .    1    .    2]" 1 
       211 1  29 GLY H   1  30 GLN H    3.130 . 3.130 2.916 2.237 3.268 0.138 13  0 "[    .    1    .    2]" 1 
       212 1  29 GLY H   1  81 VAL H    4.880 . 4.880 5.035 4.899 5.117 0.237  5  0 "[    .    1    .    2]" 1 
       213 1  29 GLY QA  1  30 GLN H    3.010 . 3.010 2.585 2.433 2.795     .  0  0 "[    .    1    .    2]" 1 
       214 1  29 GLY QA  1  80 GLN HB2  4.750 . 4.750 3.749 2.490 4.380     .  0  0 "[    .    1    .    2]" 1 
       215 1  30 GLN H   1  30 GLN HB2  2.950 . 2.950 2.967 2.617 3.144 0.194 19  0 "[    .    1    .    2]" 1 
       216 1  30 GLN H   1  30 GLN HB3  2.950 . 2.950 2.717 2.467 2.996 0.046  5  0 "[    .    1    .    2]" 1 
       217 1  30 GLN H   1  31 SER H    2.370 . 2.370 2.417 2.228 2.565 0.195 12  0 "[    .    1    .    2]" 1 
       218 1  30 GLN H   1  81 VAL H    3.040 . 3.040 3.003 2.657 4.200 1.160 17  1 "[    .    1    . +  2]" 1 
       219 1  30 GLN HA  1  30 GLN QG   3.870 . 3.870 2.783 2.383 3.251     .  0  0 "[    .    1    .    2]" 1 
       220 1  30 GLN HA  1  31 SER H    3.620 . 3.620 3.575 2.946 3.638 0.018  1  0 "[    .    1    .    2]" 1 
       221 1  30 GLN QG  1  80 GLN HA   6.400 . 6.400 5.101 4.206 5.461     .  0  0 "[    .    1    .    2]" 1 
       222 1  31 SER H   1  32 LYS H    4.490 . 4.490 4.261 3.867 4.451     .  0  0 "[    .    1    .    2]" 1 
       223 1  31 SER H   1  81 VAL H    3.790 . 3.790 3.803 2.736 3.928 0.138 10  0 "[    .    1    .    2]" 1 
       224 1  31 SER HA  1  31 SER QB   2.690 . 2.690 2.386 2.184 2.473     .  0  0 "[    .    1    .    2]" 1 
       225 1  31 SER HA  1  32 LYS H    2.300 . 2.300 2.106 1.983 2.204     .  0  0 "[    .    1    .    2]" 1 
       226 1  31 SER HA  1  33 GLN H    4.270 . 4.270 4.148 3.752 4.376 0.106  4  0 "[    .    1    .    2]" 1 
       227 1  31 SER HA  1  34 GLN H    4.720 . 4.720 4.622 4.375 4.908 0.188  3  0 "[    .    1    .    2]" 1 
       228 1  31 SER HA  1  80 GLN HA   3.560 . 3.560 3.666 2.840 4.007 0.447  5  0 "[    .    1    .    2]" 1 
       229 1  31 SER QB  1  33 GLN H    5.390 . 5.390 3.711 2.854 4.427     .  0  0 "[    .    1    .    2]" 1 
       230 1  31 SER QB  1  80 GLN HA   6.050 . 6.050 5.106 4.677 5.492     .  0  0 "[    .    1    .    2]" 1 
       231 1  32 LYS H   1  32 LYS HA   2.910 . 2.910 2.918 2.780 3.032 0.122  2  0 "[    .    1    .    2]" 1 
       232 1  32 LYS H   1  33 GLN H    2.930 . 2.930 2.782 2.274 3.087 0.157 12  0 "[    .    1    .    2]" 1 
       233 1  32 LYS H   1  34 GLN H    4.340 . 4.340 4.244 3.890 4.460 0.120 17  0 "[    .    1    .    2]" 1 
       234 1  32 LYS HA  1  32 LYS QB   2.610 . 2.610 2.115 2.053 2.171     .  0  0 "[    .    1    .    2]" 1 
       235 1  32 LYS HA  1  35 VAL H    3.830 . 3.830 3.841 3.668 3.982 0.152 18  0 "[    .    1    .    2]" 1 
       236 1  32 LYS HA  1  76 PHE HE1  2.790 . 2.790 2.670 2.527 2.821 0.031 18  0 "[    .    1    .    2]" 1 
       237 1  32 LYS QG  1  33 GLN H    2.880 . 2.880 2.339 2.101 2.663     .  0  0 "[    .    1    .    2]" 1 
       238 1  32 LYS HG2 1  33 GLN H    3.620 . 3.620 2.795 2.156 3.359     .  0  0 "[    .    1    .    2]" 1 
       239 1  32 LYS HG3 1  33 GLN H    3.620 . 3.620 2.712 2.123 3.837 0.217  1  0 "[    .    1    .    2]" 1 
       240 1  33 GLN H   1  33 GLN HB2  3.770 . 3.770 3.293 2.494 3.802 0.032 18  0 "[    .    1    .    2]" 1 
       241 1  33 GLN H   1  33 GLN QB   3.260 . 3.260 2.531 2.216 2.865     .  0  0 "[    .    1    .    2]" 1 
       242 1  33 GLN H   1  33 GLN HB3  3.770 . 3.770 2.663 2.396 2.969     .  0  0 "[    .    1    .    2]" 1 
       243 1  33 GLN H   1  34 GLN H    2.700 . 2.700 2.710 2.613 2.815 0.115  1  0 "[    .    1    .    2]" 1 
       244 1  33 GLN H   1  35 VAL H    4.560 . 4.560 4.535 4.349 4.677 0.117 17  0 "[    .    1    .    2]" 1 
       245 1  33 GLN HA  1  33 GLN QB   2.560 . 2.560 2.230 2.113 2.431     .  0  0 "[    .    1    .    2]" 1 
       246 1  33 GLN HA  1  34 GLN H    3.490 . 3.490 3.492 3.461 3.523 0.033  8  0 "[    .    1    .    2]" 1 
       247 1  33 GLN HA  1  35 VAL H    4.680 . 4.680 4.691 4.585 4.760 0.080 16  0 "[    .    1    .    2]" 1 
       248 1  33 GLN HA  1  36 SER H    3.530 . 3.530 3.587 3.400 3.689 0.159  9  0 "[    .    1    .    2]" 1 
       249 1  33 GLN HA  1  37 ALA H    3.500 . 3.500 3.553 3.437 3.706 0.206 16  0 "[    .    1    .    2]" 1 
       250 1  33 GLN QB  1  34 GLN HA   5.720 . 5.720 4.658 4.502 4.826     .  0  0 "[    .    1    .    2]" 1 
       251 1  33 GLN QB  1  36 SER QB   6.550 . 6.550 4.502 4.027 5.143     .  0  0 "[    .    1    .    2]" 1 
       252 1  33 GLN QG  1  34 GLN H    3.930 . 3.930 3.290 2.534 3.866     .  0  0 "[    .    1    .    2]" 1 
       253 1  34 GLN H   1  34 GLN HB2  2.570 . 2.570 2.579 2.488 2.611 0.041  7  0 "[    .    1    .    2]" 1 
       254 1  34 GLN H   1  34 GLN HB3  3.750 . 3.750 3.756 3.731 3.772 0.022  4  0 "[    .    1    .    2]" 1 
       255 1  34 GLN H   1  34 GLN HG2  3.870 . 3.870 3.072 2.528 3.900 0.030 20  0 "[    .    1    .    2]" 1 
       256 1  34 GLN H   1  34 GLN QG   3.220 . 3.220 2.652 2.494 2.865     .  0  0 "[    .    1    .    2]" 1 
       257 1  34 GLN H   1  34 GLN HG3  3.870 . 3.870 3.496 2.624 3.945 0.075 16  0 "[    .    1    .    2]" 1 
       258 1  34 GLN H   1  35 VAL H    2.680 . 2.680 2.738 2.618 2.860 0.180  8  0 "[    .    1    .    2]" 1 
       259 1  34 GLN H   1  36 SER H    4.010 . 4.010 4.091 4.020 4.166 0.156  6  0 "[    .    1    .    2]" 1 
       260 1  34 GLN H   1  37 ALA H    4.660 . 4.660 4.645 4.541 4.706 0.046  6  0 "[    .    1    .    2]" 1 
       261 1  34 GLN HA  1  34 GLN HB3  2.550 . 2.550 2.550 2.509 2.604 0.054  3  0 "[    .    1    .    2]" 1 
       262 1  34 GLN HA  1  34 GLN QG   3.610 . 3.610 2.786 2.327 3.064     .  0  0 "[    .    1    .    2]" 1 
       263 1  34 GLN HA  1  35 VAL H    3.600 . 3.600 3.627 3.602 3.643 0.043 15  0 "[    .    1    .    2]" 1 
       264 1  34 GLN HA  1  36 SER H    4.670 . 4.670 4.670 4.603 4.713 0.043 20  0 "[    .    1    .    2]" 1 
       265 1  34 GLN HA  1  37 ALA H    3.770 . 3.770 3.724 3.435 3.833 0.063 20  0 "[    .    1    .    2]" 1 
       266 1  34 GLN HA  1  37 ALA MB   3.000 . 3.000 2.815 2.524 2.922     .  0  0 "[    .    1    .    2]" 1 
       267 1  34 GLN HB3 1  35 VAL H    3.490 . 3.490 3.504 3.314 3.609 0.119 16  0 "[    .    1    .    2]" 1 
       268 1  34 GLN HB3 1  37 ALA MB   5.200 . 5.200 4.851 4.391 4.962     .  0  0 "[    .    1    .    2]" 1 
       269 1  35 VAL H   1  35 VAL HB   2.590 . 2.590 2.600 2.561 2.640 0.050 14  0 "[    .    1    .    2]" 1 
       270 1  35 VAL H   1  35 VAL MG1  3.620 . 3.620 2.363 2.321 2.396     .  0  0 "[    .    1    .    2]" 1 
       271 1  35 VAL H   1  35 VAL MG2      . . 4.550 3.918 3.902 3.932     .  0  0 "[    .    1    .    2]" 1 
       272 1  35 VAL H   1  36 SER H    2.700 . 2.700 2.722 2.669 2.777 0.077 16  0 "[    .    1    .    2]" 1 
       273 1  35 VAL HA  1  35 VAL MG2      . . 2.410 2.310 2.298 2.336     .  0  0 "[    .    1    .    2]" 1 
       274 1  35 VAL HA  1  36 SER H    3.510 . 3.510 3.554 3.535 3.584 0.074 16  0 "[    .    1    .    2]" 1 
       275 1  35 VAL HA  1  37 ALA H    4.490 . 4.490 4.544 4.331 4.605 0.115  5  0 "[    .    1    .    2]" 1 
       276 1  35 VAL HA  1  38 LEU H    3.550 . 3.550 3.568 3.299 3.654 0.104 17  0 "[    .    1    .    2]" 1 
       277 1  35 VAL HA  1  38 LEU HB2  2.780 . 2.780 2.706 2.511 2.822 0.042 17  0 "[    .    1    .    2]" 1 
       278 1  35 VAL HA  1  38 LEU HB3  4.240 . 4.240 4.138 3.919 4.247 0.007 17  0 "[    .    1    .    2]" 1 
       279 1  35 VAL HA  1  38 LEU MD1  4.250 . 4.250 3.961 3.622 4.073     .  0  0 "[    .    1    .    2]" 1 
       280 1  35 VAL HA  1  38 LEU MD2  3.900 . 3.900 3.606 3.302 3.731     .  0  0 "[    .    1    .    2]" 1 
       281 1  35 VAL HA  1  39 LEU H    3.870 . 3.870 3.829 3.645 3.967 0.097 17  0 "[    .    1    .    2]" 1 
       282 1  35 VAL HA  1  39 LEU QD   4.490 . 4.490 3.983 3.847 4.067     .  0  0 "[    .    1    .    2]" 1 
       283 1  35 VAL HB  1  76 PHE HE1  4.830 . 4.830 4.617 4.098 4.975 0.145  5  0 "[    .    1    .    2]" 1 
       284 1  35 VAL MG1 1  39 LEU QD   5.090 . 5.090 3.236 3.107 3.377     .  0  0 "[    .    1    .    2]" 1 
       285 1  35 VAL MG1 1  84 TRP HE3  5.690 . 5.690 4.797 4.268 5.249     .  0  0 "[    .    1    .    2]" 1 
       286 1  35 VAL MG1 1  84 TRP HZ3  5.520 . 5.520 4.868 4.278 5.268     .  0  0 "[    .    1    .    2]" 1 
       287 1  35 VAL MG2 1  36 SER HA   4.420 . 4.420 4.203 4.096 4.271     .  0  0 "[    .    1    .    2]" 1 
       288 1  35 VAL MG2 1  39 LEU QD   3.990 . 3.990 2.106 1.987 2.240     .  0  0 "[    .    1    .    2]" 1 
       289 1  35 VAL MG2 1  53 TRP HZ3  3.650 . 3.650 3.382 3.036 3.613     .  0  0 "[    .    1    .    2]" 1 
       290 1  35 VAL MG2 1  76 PHE HE1  4.950 . 4.950 4.443 4.276 4.610     .  0  0 "[    .    1    .    2]" 1 
       291 1  35 VAL MG2 1  81 VAL MG2  5.470 . 5.470 3.421 2.913 3.991     .  0  0 "[    .    1    .    2]" 1 
       292 1  36 SER H   1  37 ALA H    2.770 . 2.770 2.763 2.680 2.796 0.026 16  0 "[    .    1    .    2]" 1 
       293 1  36 SER HA  1  37 ALA H    3.510 . 3.510 3.580 3.560 3.598 0.088  1  0 "[    .    1    .    2]" 1 
       294 1  36 SER HA  1  38 LEU H    4.480 . 4.480 4.540 4.516 4.580 0.100 15  0 "[    .    1    .    2]" 1 
       295 1  36 SER HA  1  39 LEU H    3.520 . 3.520 3.556 3.451 3.649 0.129  6  0 "[    .    1    .    2]" 1 
       296 1  36 SER HA  1  39 LEU HB2  2.530 . 2.530 2.589 2.438 2.685 0.155  6  0 "[    .    1    .    2]" 1 
       297 1  36 SER HA  1  39 LEU HB3  4.070 . 4.070 4.129 3.996 4.213 0.143  6  0 "[    .    1    .    2]" 1 
       298 1  36 SER HA  1  40 GLY H    3.670 . 3.670 3.701 3.499 3.861 0.191  6  0 "[    .    1    .    2]" 1 
       299 1  36 SER HA  1  53 TRP HZ2  4.540 . 4.540 4.593 4.356 4.688 0.148 16  0 "[    .    1    .    2]" 1 
       300 1  36 SER QB  1  37 ALA H    3.850 . 3.850 3.001 2.627 3.600     .  0  0 "[    .    1    .    2]" 1 
       301 1  36 SER QB  1  53 TRP HH2  5.910 . 5.910 4.007 3.238 4.437     .  0  0 "[    .    1    .    2]" 1 
       302 1  37 ALA H   1  37 ALA MB   2.530 . 2.530 2.300 2.279 2.328     .  0  0 "[    .    1    .    2]" 1 
       303 1  37 ALA H   1  38 LEU H    2.720 . 2.720 2.762 2.671 2.818 0.098 14  0 "[    .    1    .    2]" 1 
       304 1  37 ALA H   1  39 LEU H    4.420 . 4.420 4.372 4.258 4.430 0.010 16  0 "[    .    1    .    2]" 1 
       305 1  37 ALA HA  1  38 LEU H    3.530 . 3.530 3.581 3.553 3.624 0.094  3  0 "[    .    1    .    2]" 1 
       306 1  37 ALA HA  1  39 LEU H    4.890 . 4.890 4.749 4.545 4.891 0.001 16  0 "[    .    1    .    2]" 1 
       307 1  37 ALA HA  1  40 GLY H    3.680 . 3.680 3.518 3.195 3.727 0.047  6  0 "[    .    1    .    2]" 1 
       308 1  37 ALA HA  1  41 THR H    3.140 . 3.140 3.213 2.941 3.400 0.260  6  0 "[    .    1    .    2]" 1 
       309 1  37 ALA MB  1  38 LEU H    2.700 . 2.700 2.612 2.561 2.650     .  0  0 "[    .    1    .    2]" 1 
       310 1  38 LEU H   1  38 LEU HB2  2.340 . 2.340 2.339 2.288 2.365 0.025  3  0 "[    .    1    .    2]" 1 
       311 1  38 LEU H   1  38 LEU HB3  3.630 . 3.630 3.621 3.575 3.636 0.006  3  0 "[    .    1    .    2]" 1 
       312 1  38 LEU H   1  38 LEU MD1  2.950 . 2.950 2.642 2.460 2.706     .  0  0 "[    .    1    .    2]" 1 
       313 1  38 LEU H   1  38 LEU MD2  4.450 . 4.450 4.087 4.011 4.119     .  0  0 "[    .    1    .    2]" 1 
       314 1  38 LEU H   1  39 LEU H    2.860 . 2.860 2.820 2.762 2.913 0.053  3  0 "[    .    1    .    2]" 1 
       315 1  38 LEU H   1  40 GLY H    4.040 . 4.040 4.069 4.027 4.134 0.094  6  0 "[    .    1    .    2]" 1 
       316 1  38 LEU HA  1  38 LEU HB3  2.740 . 2.740 2.731 2.702 2.768 0.028  8  0 "[    .    1    .    2]" 1 
       317 1  38 LEU HA  1  38 LEU HG   3.960 . 3.960 2.497 2.441 2.561     .  0  0 "[    .    1    .    2]" 1 
       318 1  38 LEU HA  1  39 LEU H    3.540 . 3.540 3.578 3.554 3.611 0.071  6  0 "[    .    1    .    2]" 1 
       319 1  38 LEU HA  1  40 GLY H    4.280 . 4.280 4.416 4.366 4.486 0.206 15  0 "[    .    1    .    2]" 1 
       320 1  38 LEU HB3 1  38 LEU HG   2.440 . 2.440 2.469 2.438 2.500 0.060  3  0 "[    .    1    .    2]" 1 
       321 1  38 LEU HB3 1  39 LEU H    3.310 . 3.310 3.232 2.953 3.336 0.026  2  0 "[    .    1    .    2]" 1 
       322 1  39 LEU H   1  39 LEU HB2  2.350 . 2.350 2.359 2.295 2.403 0.053  4  0 "[    .    1    .    2]" 1 
       323 1  39 LEU H   1  39 LEU HB3  3.590 . 3.590 3.621 3.598 3.639 0.049  3  0 "[    .    1    .    2]" 1 
       324 1  39 LEU H   1  39 LEU HG   2.520 . 2.520 2.537 2.412 2.658 0.138  1  0 "[    .    1    .    2]" 1 
       325 1  39 LEU H   1  40 GLY H    2.690 . 2.690 2.702 2.673 2.745 0.055  6  0 "[    .    1    .    2]" 1 
       326 1  39 LEU HA  1  39 LEU HB3  2.630 . 2.630 2.635 2.599 2.671 0.041  1  0 "[    .    1    .    2]" 1 
       327 1  39 LEU HA  1  39 LEU QD       . . 3.830 2.194 2.076 2.549     .  0  0 "[    .    1    .    2]" 1 
       328 1  39 LEU HA  1  40 GLY H    3.520 . 3.520 3.499 3.428 3.559 0.039  3  0 "[    .    1    .    2]" 1 
       329 1  39 LEU HB2 1  39 LEU QD       . . 2.450 2.272 2.182 2.316     .  0  0 "[    .    1    .    2]" 1 
       330 1  39 LEU HB2 1  40 GLY H    2.670 . 2.670 2.795 2.688 2.922 0.252  8  0 "[    .    1    .    2]" 1 
       331 1  39 LEU HB3 1  40 GLY H    3.510 . 3.510 3.597 3.477 3.714 0.204  8  0 "[    .    1    .    2]" 1 
       332 1  39 LEU QD  1  53 TRP HH2  2.390 . 2.390 2.169 2.129 2.246     .  0  0 "[    .    1    .    2]" 1 
       333 1  39 LEU QD  1  88 TYR QE   4.720 . 4.720 2.951 2.098 3.810     .  0  0 "[    .    1    .    2]" 1 
       334 1  39 LEU QD  1  89 PHE QD   6.350 . 6.350 7.904 6.432 9.740 3.390  2 17 "[ +********* **.****-]" 1 
       335 1  40 GLY H   1  40 GLY QA   2.600 . 2.600 2.407 2.366 2.453     .  0  0 "[    .    1    .    2]" 1 
       336 1  40 GLY H   1  41 THR H    2.580 . 2.580 2.570 2.370 2.720 0.140 15  0 "[    .    1    .    2]" 1 
       337 1  41 THR H   1  41 THR HB   2.980 . 2.980 2.904 2.595 3.010 0.030 13  0 "[    .    1    .    2]" 1 
       338 1  41 THR H   1  41 THR HG1  3.190 . 3.190 3.226 2.955 3.353 0.163  3  0 "[    .    1    .    2]" 1 
       339 1  41 THR H   1  41 THR MG   4.770 . 4.770 4.094 3.935 4.156     .  0  0 "[    .    1    .    2]" 1 
       340 1  41 THR H   1  42 PRO HD2  4.950 . 4.950 4.934 4.885 4.982 0.032 19  0 "[    .    1    .    2]" 1 
       341 1  41 THR H   1  42 PRO QD   4.690 . 4.690 4.319 4.042 4.427     .  0  0 "[    .    1    .    2]" 1 
       342 1  41 THR H   1  42 PRO HD3  4.950 . 4.950 4.778 4.311 5.023 0.073  6  0 "[    .    1    .    2]" 1 
       343 1  41 THR HA  1  41 THR HG1  2.340 . 2.340 2.383 2.268 2.579 0.239  6  0 "[    .    1    .    2]" 1 
       344 1  41 THR HA  1  42 PRO HD2  2.560 . 2.560 2.283 2.169 2.333     .  0  0 "[    .    1    .    2]" 1 
       345 1  41 THR HA  1  42 PRO QD   2.220 . 2.220 2.139 2.069 2.169     .  0  0 "[    .    1    .    2]" 1 
       346 1  41 THR HA  1  42 PRO HD3  2.560 . 2.560 2.584 2.520 2.658 0.098 12  0 "[    .    1    .    2]" 1 
       347 1  41 THR HB  1  41 THR HG1  2.590 . 2.590 2.546 2.402 2.619 0.029 20  0 "[    .    1    .    2]" 1 
       348 1  41 THR HB  1  41 THR MG   2.520 . 2.520 2.185 2.162 2.207     .  0  0 "[    .    1    .    2]" 1 
       349 1  41 THR HB  1  42 PRO QD   5.400 . 5.400 4.096 3.933 4.378     .  0  0 "[    .    1    .    2]" 1 
       350 1  41 THR MG  1  53 TRP HD1  5.860 . 5.860 4.270 3.769 4.848     .  0  0 "[    .    1    .    2]" 1 
       351 1  41 THR MG  1  53 TRP HH2  4.700 . 4.700 4.062 3.471 4.437     .  0  0 "[    .    1    .    2]" 1 
       352 1  42 PRO HA  1  43 SER H    2.360 . 2.360 2.294 2.138 2.470 0.110  7  0 "[    .    1    .    2]" 1 
       353 1  42 PRO HG2 1  43 SER H    4.810 . 4.810 4.699 4.336 4.917 0.107 16  0 "[    .    1    .    2]" 1 
       354 1  43 SER H   1  43 SER HA   2.900 . 2.900 2.984 2.842 3.048 0.148 18  0 "[    .    1    .    2]" 1 
       355 1  43 SER H   1  43 SER HB2  3.700 . 3.700 3.350 2.383 3.793 0.093 12  0 "[    .    1    .    2]" 1 
       356 1  43 SER H   1  43 SER QB   3.080 . 3.080 2.584 2.353 2.822     .  0  0 "[    .    1    .    2]" 1 
       357 1  43 SER H   1  43 SER HB3  3.700 . 3.700 2.952 2.498 3.704 0.004 19  0 "[    .    1    .    2]" 1 
       358 1  43 SER H   1  44 ILE H    4.050 . 4.050 4.199 3.357 4.481 0.431 14  0 "[    .    1    .    2]" 1 
       359 1  43 SER HA  1  43 SER QB   2.650 . 2.650 2.259 2.132 2.480     .  0  0 "[    .    1    .    2]" 1 
       360 1  43 SER HA  1  44 ILE H    3.500 . 3.500 2.801 2.115 3.561 0.061  2  0 "[    .    1    .    2]" 1 
       361 1  43 SER QB  1  44 ILE H    3.380 . 3.380 2.169 1.769 2.967 0.131  3  0 "[    .    1    .    2]" 1 
       362 1  44 ILE H   1  44 ILE QG   4.000 . 4.000 3.075 2.434 3.492     .  0  0 "[    .    1    .    2]" 1 
       363 1  44 ILE H   1  44 ILE MG   4.980 . 4.980 3.991 3.178 4.133     .  0  0 "[    .    1    .    2]" 1 
       364 1  44 ILE H   1  45 PRO HD2  4.530 . 4.530 4.556 4.366 4.596 0.066 17  0 "[    .    1    .    2]" 1 
       365 1  44 ILE H   1  45 PRO QD   3.920 . 3.920 3.440 3.132 3.625     .  0  0 "[    .    1    .    2]" 1 
       366 1  44 ILE H   1  45 PRO HD3  4.530 . 4.530 3.562 3.209 3.801     .  0  0 "[    .    1    .    2]" 1 
       367 1  44 ILE HA  1  44 ILE MD   4.880 . 4.880 3.989 3.911 4.197     .  0  0 "[    .    1    .    2]" 1 
       368 1  44 ILE HA  1  44 ILE QG   3.690 . 3.690 2.585 2.390 3.428     .  0  0 "[    .    1    .    2]" 1 
       369 1  44 ILE HA  1  44 ILE MG   2.530 . 2.530 2.426 2.251 2.500     .  0  0 "[    .    1    .    2]" 1 
       370 1  44 ILE HA  1  45 PRO HD2  2.620 . 2.620 2.298 2.190 2.426     .  0  0 "[    .    1    .    2]" 1 
       371 1  44 ILE HA  1  45 PRO QD   2.340 . 2.340 2.168 2.088 2.225     .  0  0 "[    .    1    .    2]" 1 
       372 1  44 ILE HA  1  45 PRO HD3  2.620 . 2.620 2.668 2.570 2.772 0.152 11  0 "[    .    1    .    2]" 1 
       373 1  44 ILE HA  1  46 ASP H    4.680 . 4.680 4.579 4.009 4.736 0.056  2  0 "[    .    1    .    2]" 1 
       374 1  44 ILE HB  1  44 ILE MD   2.520 . 2.520 2.395 2.279 2.462     .  0  0 "[    .    1    .    2]" 1 
       375 1  44 ILE HB  1  44 ILE QG   2.670 . 2.670 2.467 2.430 2.529     .  0  0 "[    .    1    .    2]" 1 
       376 1  44 ILE MD  1  44 ILE MG   3.510 . 3.510 2.129 2.092 2.208     .  0  0 "[    .    1    .    2]" 1 
       377 1  44 ILE MD  1  53 TRP HA       . . 3.400 2.534 2.157 3.143     .  0  0 "[    .    1    .    2]" 1 
       378 1  44 ILE QG  1  44 ILE MG   3.390 . 3.390 2.338 2.267 2.398     .  0  0 "[    .    1    .    2]" 1 
       379 1  45 PRO HA  1  46 ASP H    2.400 . 2.400 2.460 2.379 2.626 0.226  5  0 "[    .    1    .    2]" 1 
       380 1  46 ASP H   1  46 ASP QB   3.700 . 3.700 2.586 2.303 2.944     .  0  0 "[    .    1    .    2]" 1 
       381 1  46 ASP H   1  47 PRO HD2  4.930 . 4.930 4.973 4.934 5.040 0.110 16  0 "[    .    1    .    2]" 1 
       382 1  46 ASP H   1  47 PRO QD   4.610 . 4.610 4.284 4.051 4.427     .  0  0 "[    .    1    .    2]" 1 
       383 1  46 ASP H   1  47 PRO HD3  4.930 . 4.930 4.682 4.297 4.938 0.008  4  0 "[    .    1    .    2]" 1 
       384 1  46 ASP HA  1  47 PRO HD2  2.580 . 2.580 2.175 2.122 2.255     .  0  0 "[    .    1    .    2]" 1 
       385 1  46 ASP HA  1  47 PRO QD   2.230 . 2.230 2.059 2.030 2.115     .  0  0 "[    .    1    .    2]" 1 
       386 1  46 ASP HA  1  47 PRO HD3  2.580 . 2.580 2.554 2.343 2.625 0.045 15  0 "[    .    1    .    2]" 1 
       387 1  46 ASP HA  1  48 PHE H    3.600 . 3.600 3.736 3.586 3.944 0.344 19  0 "[    .    1    .    2]" 1 
       388 1  47 PRO HA  1  50 ALA H    4.860 . 4.860 4.916 4.595 5.192 0.332 16  0 "[    .    1    .    2]" 1 
       389 1  47 PRO HG2 1  48 PHE H    3.140 . 3.140 3.116 2.939 3.179 0.039  6  0 "[    .    1    .    2]" 1 
       390 1  47 PRO HG3 1  48 PHE H    4.530 . 4.530 4.536 4.382 4.603 0.073  6  0 "[    .    1    .    2]" 1 
       391 1  48 PHE H   1  48 PHE HB2  2.630 . 2.630 2.626 2.462 2.780 0.150 19  0 "[    .    1    .    2]" 1 
       392 1  48 PHE H   1  48 PHE HB3  2.550 . 2.550 2.608 2.519 2.742 0.192  3  0 "[    .    1    .    2]" 1 
       393 1  48 PHE H   1  49 HIS H    2.890 . 2.890 2.800 2.497 3.002 0.112  6  0 "[    .    1    .    2]" 1 
       394 1  48 PHE HA  1  48 PHE HD1  2.880 . 2.880 2.940 2.832 3.079 0.199  3  0 "[    .    1    .    2]" 1 
       395 1  48 PHE HA  1  48 PHE HD2  4.220 . 4.220 4.153 3.985 4.251 0.031  1  0 "[    .    1    .    2]" 1 
       396 1  48 PHE HA  1  49 HIS H    3.630 . 3.630 3.627 3.566 3.667 0.037  8  0 "[    .    1    .    2]" 1 
       397 1  48 PHE HB3 1  49 HIS H    2.420 . 2.420 2.299 2.159 2.403     .  0  0 "[    .    1    .    2]" 1 
       398 1  49 HIS H   1  49 HIS HB2  3.520 . 3.520 3.481 3.343 3.569 0.049  6  0 "[    .    1    .    2]" 1 
       399 1  49 HIS H   1  49 HIS QB   3.250 . 3.250 2.951 2.624 3.093     .  0  0 "[    .    1    .    2]" 1 
       400 1  49 HIS H   1  49 HIS HB3  3.520 . 3.520 3.195 2.726 3.467     .  0  0 "[    .    1    .    2]" 1 
       401 1  49 HIS H   1  50 ALA H    3.720 . 3.720 3.275 2.777 3.740 0.020 19  0 "[    .    1    .    2]" 1 
       402 1  49 HIS HA  1  49 HIS HD2  4.400 . 4.400 3.973 2.505 4.740 0.340 15  0 "[    .    1    .    2]" 1 
       403 1  49 HIS HA  1  50 ALA H    2.280 . 2.280 2.297 2.172 2.400 0.120  4  0 "[    .    1    .    2]" 1 
       404 1  49 HIS QB  1  50 ALA H    5.380 . 5.380 4.065 4.010 4.103     .  0  0 "[    .    1    .    2]" 1 
       405 1  49 HIS HD2 1  51 GLN QE   4.410 . 4.410 3.476 2.450 4.028     .  0  0 "[    .    1    .    2]" 1 
       406 1  50 ALA H   1  50 ALA MB   3.380 . 3.380 2.203 2.110 2.296     .  0  0 "[    .    1    .    2]" 1 
       407 1  50 ALA H   1  51 GLN H    4.320 . 4.320 4.232 4.027 4.391 0.071 11  0 "[    .    1    .    2]" 1 
       408 1  50 ALA HA  1  50 ALA MB   2.400 . 2.400 2.142 2.122 2.161     .  0  0 "[    .    1    .    2]" 1 
       409 1  50 ALA HA  1  51 GLN H    2.260 . 2.260 2.149 2.013 2.296 0.036 10  0 "[    .    1    .    2]" 1 
       410 1  50 ALA MB  1  51 GLN H    4.100 . 4.100 3.525 3.307 3.671     .  0  0 "[    .    1    .    2]" 1 
       411 1  51 GLN H   1  51 GLN HB2  2.400 . 2.400 2.412 2.271 2.556 0.156 14  0 "[    .    1    .    2]" 1 
       412 1  51 GLN H   1  51 GLN HB3  3.630 . 3.630 3.630 3.553 3.764 0.134 14  0 "[    .    1    .    2]" 1 
       413 1  51 GLN H   1  51 GLN QG   4.630 . 4.630 2.567 2.254 3.283     .  0  0 "[    .    1    .    2]" 1 
       414 1  51 GLN HA  1  51 GLN HB3  2.590 . 2.590 2.615 2.476 2.690 0.100 11  0 "[    .    1    .    2]" 1 
       415 1  51 GLN HA  1  52 ARG H    2.680 . 2.680 2.719 2.475 3.035 0.355 14  0 "[    .    1    .    2]" 1 
       416 1  51 GLN HB2 1  52 ARG H    3.100 . 3.100 3.094 2.425 3.393 0.293 19  0 "[    .    1    .    2]" 1 
       417 1  51 GLN QG  1  52 ARG H    4.180 . 4.180 3.612 3.292 3.897     .  0  0 "[    .    1    .    2]" 1 
       418 1  51 GLN HG2 1  52 ARG H    4.630 . 4.630 3.800 3.413 4.281     .  0  0 "[    .    1    .    2]" 1 
       419 1  51 GLN HG3 1  52 ARG H    4.630 . 4.630 4.538 4.321 4.645 0.015 13  0 "[    .    1    .    2]" 1 
       420 1  52 ARG H   1  52 ARG HA   2.780 . 2.780 2.814 2.720 2.919 0.139  9  0 "[    .    1    .    2]" 1 
       421 1  52 ARG H   1  52 ARG QB       . . 2.330 2.316 2.233 2.388 0.058 19  0 "[    .    1    .    2]" 1 
       422 1  52 ARG H   1  52 ARG HG2  4.060 . 4.060 3.839 2.792 4.106 0.046 13  0 "[    .    1    .    2]" 1 
       423 1  52 ARG H   1  52 ARG QG   3.910 . 3.910 3.469 2.743 3.645     .  0  0 "[    .    1    .    2]" 1 
       424 1  52 ARG H   1  52 ARG HG3  4.060 . 4.060 4.046 3.989 4.111 0.051 10  0 "[    .    1    .    2]" 1 
       425 1  52 ARG H   1  53 TRP H    4.680 . 4.680 4.662 4.632 4.696 0.016  8  0 "[    .    1    .    2]" 1 
       426 1  52 ARG H   1  75 PHE QD   4.690 . 4.690 4.443 3.987 4.708 0.018 11  0 "[    .    1    .    2]" 1 
       427 1  52 ARG HA  1  52 ARG QB   2.520 . 2.520 2.144 2.114 2.186     .  0  0 "[    .    1    .    2]" 1 
       428 1  52 ARG HA  1  53 TRP H    2.310 . 2.310 2.223 2.162 2.313 0.003  9  0 "[    .    1    .    2]" 1 
       429 1  52 ARG HA  1  74 VAL H    5.080 . 5.080 5.059 4.934 5.164 0.084  7  0 "[    .    1    .    2]" 1 
       430 1  52 ARG HA  1  75 PHE HA   2.670 . 2.670 2.620 2.422 2.753 0.083 12  0 "[    .    1    .    2]" 1 
       431 1  52 ARG HA  1  76 PHE H    2.590 . 2.590 2.465 2.115 2.628 0.038  8  0 "[    .    1    .    2]" 1 
       432 1  52 ARG HA  1  76 PHE HA   4.850 . 4.850 4.997 4.763 5.212 0.362 19  0 "[    .    1    .    2]" 1 
       433 1  52 ARG QB  1  52 ARG QG   2.650 . 2.650 1.980 1.933 2.119     .  0  0 "[    .    1    .    2]" 1 
       434 1  52 ARG QB  1  53 TRP H    3.950 . 3.950 2.667 2.472 2.844     .  0  0 "[    .    1    .    2]" 1 
       435 1  52 ARG QB  1  73 THR MG   4.560 . 4.560 3.593 3.044 3.973     .  0  0 "[    .    1    .    2]" 1 
       436 1  52 ARG QB  1  75 PHE HA   2.250 . 2.250 2.045 1.957 2.134     .  0  0 "[    .    1    .    2]" 1 
       437 1  52 ARG QB  1  75 PHE QD   2.710 . 2.710 2.529 2.423 2.647     .  0  0 "[    .    1    .    2]" 1 
       438 1  52 ARG QB  1  75 PHE QE       . . 4.240 3.467 3.208 3.632     .  0  0 "[    .    1    .    2]" 1 
       439 1  52 ARG HE  1  52 ARG QG   3.590 . 3.590 2.549 2.115 3.318     .  0  0 "[    .    1    .    2]" 1 
       440 1  52 ARG QG  1  53 TRP H    4.060 . 4.060 3.459 3.306 3.549     .  0  0 "[    .    1    .    2]" 1 
       441 1  52 ARG HG2 1  53 TRP H    4.610 . 4.610 3.686 3.496 4.325     .  0  0 "[    .    1    .    2]" 1 
       442 1  52 ARG HG2 1  73 THR MG   4.500 . 4.500 3.602 2.621 4.389     .  0  0 "[    .    1    .    2]" 1 
       443 1  52 ARG HG3 1  53 TRP H    4.610 . 4.610 4.453 3.431 4.723 0.113 11  0 "[    .    1    .    2]" 1 
       444 1  52 ARG HG3 1  73 THR MG   4.500 . 4.500 3.349 2.517 4.123     .  0  0 "[    .    1    .    2]" 1 
       445 1  53 TRP H   1  53 TRP HB2  3.300 . 3.300 3.231 3.113 3.309 0.009 12  0 "[    .    1    .    2]" 1 
       446 1  53 TRP H   1  53 TRP QB   2.680 . 2.680 2.338 2.215 2.437     .  0  0 "[    .    1    .    2]" 1 
       447 1  53 TRP H   1  53 TRP HB3  3.300 . 3.300 2.400 2.265 2.510     .  0  0 "[    .    1    .    2]" 1 
       448 1  53 TRP H   1  73 THR HA   4.690 . 4.690 4.786 4.680 4.908 0.218 14  0 "[    .    1    .    2]" 1 
       449 1  53 TRP H   1  74 VAL H    3.230 . 3.230 3.238 3.067 3.323 0.093 15  0 "[    .    1    .    2]" 1 
       450 1  53 TRP H   1  74 VAL HB   5.360 . 5.360 5.339 5.216 5.445 0.085 16  0 "[    .    1    .    2]" 1 
       451 1  53 TRP H   1  75 PHE HA   3.730 . 3.730 3.707 3.575 3.822 0.092 19  0 "[    .    1    .    2]" 1 
       452 1  53 TRP H   1  75 PHE QD   6.000 . 6.000 5.515 5.332 5.614     .  0  0 "[    .    1    .    2]" 1 
       453 1  53 TRP HA  1  54 ASP H    2.290 . 2.290 2.219 2.098 2.374 0.084  7  0 "[    .    1    .    2]" 1 
       454 1  53 TRP QB  1  74 VAL H    5.690 . 5.690 3.394 2.957 3.645     .  0  0 "[    .    1    .    2]" 1 
       455 1  53 TRP HE3 1  74 VAL MG2  4.550 . 4.550 4.096 3.966 4.256     .  0  0 "[    .    1    .    2]" 1 
       456 1  53 TRP HH2 1  72 PHE HE2  4.270 . 4.270 4.078 3.424 4.477 0.207  5  0 "[    .    1    .    2]" 1 
       457 1  54 ASP H   1  54 ASP HB2  3.690 . 3.690 3.026 2.296 3.722 0.032  4  0 "[    .    1    .    2]" 1 
       458 1  54 ASP H   1  54 ASP QB   3.040 . 3.040 2.525 2.185 2.934     .  0  0 "[    .    1    .    2]" 1 
       459 1  54 ASP H   1  54 ASP HB3  3.690 . 3.690 2.838 2.406 3.723 0.033 16  0 "[    .    1    .    2]" 1 
       460 1  54 ASP H   1  55 TYR H    3.500 . 3.500 3.378 2.860 3.600 0.100  6  0 "[    .    1    .    2]" 1 
       461 1  54 ASP HA  1  55 TYR H    2.770 . 2.770 2.652 2.402 3.121 0.351 14  0 "[    .    1    .    2]" 1 
       462 1  54 ASP HA  1  73 THR HA   2.760 . 2.760 2.286 2.035 2.927 0.167 16  0 "[    .    1    .    2]" 1 
       463 1  54 ASP HA  1  73 THR HG1  3.780 . 3.780 2.665 2.335 3.664     .  0  0 "[    .    1    .    2]" 1 
       464 1  54 ASP HA  1  73 THR MG       . . 2.510 2.534 2.099 2.756 0.246 15  0 "[    .    1    .    2]" 1 
       465 1  54 ASP HA  1  74 VAL H    4.140 . 4.140 3.644 3.041 4.217 0.077  7  0 "[    .    1    .    2]" 1 
       466 1  55 TYR H   1  55 TYR HB2  3.780 . 3.780 2.862 2.343 3.859 0.079 16  0 "[    .    1    .    2]" 1 
       467 1  55 TYR H   1  55 TYR QB   3.130 . 3.130 2.685 2.315 3.087     .  0  0 "[    .    1    .    2]" 1 
       468 1  55 TYR H   1  55 TYR HB3  3.780 . 3.780 3.700 2.764 3.896 0.116  7  0 "[    .    1    .    2]" 1 
       469 1  55 TYR H   1  55 TYR QE   5.010 . 5.010 4.759 4.285 5.010     .  0  0 "[    .    1    .    2]" 1 
       470 1  55 TYR H   1  56 THR H    4.500 . 4.500 4.422 3.958 4.648 0.148 14  0 "[    .    1    .    2]" 1 
       471 1  55 TYR H   1  73 THR HA   3.810 . 3.810 3.783 3.173 4.010 0.200  8  0 "[    .    1    .    2]" 1 
       472 1  55 TYR HA  1  56 THR H    2.260 . 2.260 2.143 2.012 2.319 0.059 19  0 "[    .    1    .    2]" 1 
       473 1  56 THR H   1  56 THR HB   2.620 . 2.620 2.621 2.491 2.726 0.106 13  0 "[    .    1    .    2]" 1 
       474 1  56 THR H   1  57 SER H    4.250 . 4.250 4.172 3.673 4.517 0.267 13  0 "[    .    1    .    2]" 1 
       475 1  56 THR HA  1  56 THR HG1  2.710 . 2.710 2.680 2.346 3.145 0.435 19  0 "[    .    1    .    2]" 1 
       476 1  56 THR HA  1  56 THR MG   3.160 . 3.160 2.457 2.376 2.567     .  0  0 "[    .    1    .    2]" 1 
       477 1  56 THR HA  1  57 SER H    2.310 . 2.310 2.199 2.102 2.298     .  0  0 "[    .    1    .    2]" 1 
       478 1  56 THR HA  1  71 ASN HA   2.280 . 2.280 2.249 2.123 2.367 0.087  1  0 "[    .    1    .    2]" 1 
       479 1  56 THR HG1 1  71 ASN HA   4.410 . 4.410 3.756 3.040 4.463 0.053  3  0 "[    .    1    .    2]" 1 
       480 1  56 THR MG  1  69 ILE MG   6.390 . 6.390 3.538 2.220 5.138     .  0  0 "[    .    1    .    2]" 1 
       481 1  56 THR MG  1  71 ASN HA       . . 4.070 3.501 2.270 3.853     .  0  0 "[    .    1    .    2]" 1 
       482 1  57 SER H   1  57 SER HB2  3.700 . 3.700 3.447 2.440 3.900 0.200 19  0 "[    .    1    .    2]" 1 
       483 1  57 SER H   1  57 SER QB   3.020 . 3.020 2.679 2.408 2.998     .  0  0 "[    .    1    .    2]" 1 
       484 1  57 SER H   1  57 SER HB3  3.700 . 3.700 3.046 2.495 3.850 0.150  2  0 "[    .    1    .    2]" 1 
       485 1  57 SER H   1  58 THR H    4.610 . 4.610 4.531 3.896 4.716 0.106 15  0 "[    .    1    .    2]" 1 
       486 1  57 SER H   1  71 ASN H    4.470 . 4.470 4.678 4.373 4.987 0.517 10  3 "[    .   *+    .-   2]" 1 
       487 1  57 SER H   1  71 ASN HA   2.750 . 2.750 3.085 2.762 3.474 0.724 12  8 "[**  *  - 1*+* .   *2]" 1 
       488 1  57 SER HA  1  57 SER QB   2.680 . 2.680 2.236 2.090 2.471     .  0  0 "[    .    1    .    2]" 1 
       489 1  57 SER HA  1  58 THR H    2.290 . 2.290 2.255 1.996 2.750 0.460 19  0 "[    .    1    .    2]" 1 
       490 1  57 SER HA  1  58 THR HB   4.680 . 4.680 4.552 3.955 4.851 0.171 18  0 "[    .    1    .    2]" 1 
       491 1  57 SER QB  1  58 THR H    3.500 . 3.500 2.812 2.063 3.552 0.052 12  0 "[    .    1    .    2]" 1 
       492 1  57 SER HB2 1  58 THR H    4.120 . 4.120 3.156 2.077 4.168 0.048  2  0 "[    .    1    .    2]" 1 
       493 1  57 SER HB3 1  58 THR H    4.120 . 4.120 3.730 2.355 4.334 0.214 12  0 "[    .    1    .    2]" 1 
       494 1  58 THR H   1  58 THR MG   3.730 . 3.730 2.764 2.170 3.096     .  0  0 "[    .    1    .    2]" 1 
       495 1  58 THR H   1  59 GLN H    4.270 . 4.270 4.351 4.207 4.433 0.163  5  0 "[    .    1    .    2]" 1 
       496 1  58 THR HA  1  58 THR HB   2.420 . 2.420 2.416 2.314 2.484 0.064 17  0 "[    .    1    .    2]" 1 
       497 1  58 THR HA  1  58 THR MG       . . 3.910 3.324 3.308 3.340     .  0  0 "[    .    1    .    2]" 1 
       498 1  58 THR HA  1  59 GLN H    2.230 . 2.230 2.193 1.998 2.549 0.319 13  0 "[    .    1    .    2]" 1 
       499 1  58 THR HB  1  59 GLN H    3.990 . 3.990 3.823 3.386 4.171 0.181 18  0 "[    .    1    .    2]" 1 
       500 1  58 THR HB  1  69 ILE QG       . . 3.870 3.763 2.517 5.365 1.495  5  5 "[    +    1 *- . * *2]" 1 
       501 1  58 THR HB  1  69 ILE MG       . . 2.820 3.322 2.414 4.398 1.578 10  8 "[    . * *+*   *** -2]" 1 
       502 1  58 THR HG1 1  59 GLN H    2.310 . 2.310 2.400 2.215 2.594 0.284 12  0 "[    .    1    .    2]" 1 
       503 1  58 THR MG  1  59 GLN H    4.950 . 4.950 3.615 2.791 4.023     .  0  0 "[    .    1    .    2]" 1 
       504 1  59 GLN H   1  60 ARG H    4.480 . 4.480 4.143 2.540 4.616 0.136 13  0 "[    .    1    .    2]" 1 
       505 1  59 GLN H   1  68 GLU H    3.060 . 3.060 3.598 2.546 4.075 1.015  5 12 "[ ***+*- *1 ***.   **]" 1 
       506 1  59 GLN HA  1  59 GLN QB   2.620 . 2.620 2.378 2.096 2.597     .  0  0 "[    .    1    .    2]" 1 
       507 1  59 GLN HA  1  60 ARG H    2.480 . 2.480 2.299 2.046 3.072 0.592 14  1 "[    .    1   +.    2]" 1 
       508 1  59 GLN HA  1  60 ARG QB   5.510 . 5.510 4.383 3.952 4.999     .  0  0 "[    .    1    .    2]" 1 
       509 1  60 ARG H   1  60 ARG HB2  3.920 . 3.920 3.045 2.384 3.956 0.036  2  0 "[    .    1    .    2]" 1 
       510 1  60 ARG H   1  60 ARG QB   3.310 . 3.310 2.652 2.167 3.127     .  0  0 "[    .    1    .    2]" 1 
       511 1  60 ARG H   1  60 ARG HB3  3.920 . 3.920 3.280 2.254 3.988 0.068  7  0 "[    .    1    .    2]" 1 
       512 1  60 ARG H   1  61 VAL H    4.490 . 4.490 3.787 3.044 4.649 0.159 17  0 "[    .    1    .    2]" 1 
       513 1  60 ARG HA  1  60 ARG QB   2.680 . 2.680 2.349 2.043 2.517     .  0  0 "[    .    1    .    2]" 1 
       514 1  60 ARG HA  1  61 VAL H    2.450 . 2.450 2.343 2.125 2.620 0.170 14  0 "[    .    1    .    2]" 1 
       515 1  60 ARG HA  1  62 ASP H    4.470 . 4.470 4.033 3.044 4.611 0.141 10  0 "[    .    1    .    2]" 1 
       516 1  60 ARG HA  1  67 THR MG   4.880 . 4.880 3.836 2.241 4.935 0.055  7  0 "[    .    1    .    2]" 1 
       517 1  60 ARG QG  1  61 VAL H    5.650 . 5.650 4.170 2.470 4.889     .  0  0 "[    .    1    .    2]" 1 
       518 1  61 VAL H   1  61 VAL HA   2.830 . 2.830 2.940 2.835 3.007 0.177 16  0 "[    .    1    .    2]" 1 
       519 1  61 VAL H   1  61 VAL HB   2.550 . 2.550 2.574 2.419 2.782 0.232 16  0 "[    .    1    .    2]" 1 
       520 1  61 VAL H   1  61 VAL MG1  2.520 . 2.520 2.296 2.115 2.459     .  0  0 "[    .    1    .    2]" 1 
       521 1  61 VAL H   1  61 VAL MG2  4.390 . 4.390 3.876 3.839 3.930     .  0  0 "[    .    1    .    2]" 1 
       522 1  61 VAL H   1  62 ASP H    2.980 . 2.980 2.957 2.600 3.542 0.562 11  1 "[    .    1+   .    2]" 1 
       523 1  61 VAL H   1  67 THR HA   5.250 . 5.250 4.469 2.712 5.406 0.156 14  0 "[    .    1    .    2]" 1 
       524 1  61 VAL HA  1  61 VAL HB   2.500 . 2.500 2.451 2.392 2.491     .  0  0 "[    .    1    .    2]" 1 
       525 1  61 VAL HA  1  61 VAL MG2  2.500 . 2.500 2.294 2.256 2.337     .  0  0 "[    .    1    .    2]" 1 
       526 1  61 VAL HA  1  62 ASP H    3.490 . 3.490 3.296 2.181 3.607 0.117 19  0 "[    .    1    .    2]" 1 
       527 1  61 VAL HB  1  61 VAL MG1  2.540 . 2.540 2.172 2.156 2.184     .  0  0 "[    .    1    .    2]" 1 
       528 1  61 VAL HB  1  61 VAL MG2  2.470 . 2.470 2.152 2.137 2.159     .  0  0 "[    .    1    .    2]" 1 
       529 1  62 ASP H   1  62 ASP HB2  2.930 . 2.930 2.620 2.159 2.998 0.068  5  0 "[    .    1    .    2]" 1 
       530 1  62 ASP H   1  62 ASP QB   2.650 . 2.650 2.314 2.042 2.644     .  0  0 "[    .    1    .    2]" 1 
       531 1  62 ASP H   1  62 ASP HB3  2.930 . 2.930 2.630 2.444 2.947 0.017 10  0 "[    .    1    .    2]" 1 
       532 1  62 ASP H   1  63 ARG H    4.500 . 4.500 4.288 2.668 4.585 0.085  2  0 "[    .    1    .    2]" 1 
       533 1  62 ASP HA  1  63 ARG H    2.610 . 2.610 2.461 2.059 2.978 0.368 14  0 "[    .    1    .    2]" 1 
       534 1  62 ASP QB  1  63 ARG H    4.390 . 4.390 3.180 2.635 4.039     .  0  0 "[    .    1    .    2]" 1 
       535 1  62 ASP HB2 1  63 ARG H    4.640 . 4.640 3.871 3.593 4.582     .  0  0 "[    .    1    .    2]" 1 
       536 1  62 ASP HB3 1  63 ARG H    4.640 . 4.640 3.401 2.702 4.504     .  0  0 "[    .    1    .    2]" 1 
       537 1  63 ARG H   1  64 LEU H    4.070 . 4.070 2.746 1.875 3.977 0.025  1  0 "[    .    1    .    2]" 1 
       538 1  63 ARG HA  1  63 ARG QB   2.610 . 2.610 2.280 2.079 2.489     .  0  0 "[    .    1    .    2]" 1 
       539 1  63 ARG HA  1  63 ARG QG   3.960 . 3.960 3.094 2.423 3.587     .  0  0 "[    .    1    .    2]" 1 
       540 1  63 ARG HA  1  64 LEU H    3.580 . 3.580 3.226 2.177 3.626 0.046 12  0 "[    .    1    .    2]" 1 
       541 1  64 LEU H   1  64 LEU HA   2.930 . 2.930 2.986 2.819 3.058 0.128  9  0 "[    .    1    .    2]" 1 
       542 1  64 LEU H   1  64 LEU MD1  5.180 . 5.180 3.882 1.982 4.552     .  0  0 "[    .    1    .    2]" 1 
       543 1  64 LEU H   1  64 LEU MD2  3.890 . 3.890 3.062 1.978 3.853     .  0  0 "[    .    1    .    2]" 1 
       544 1  64 LEU H   1  64 LEU HG   4.260 . 4.260 3.526 2.334 4.506 0.246  6  0 "[    .    1    .    2]" 1 
       545 1  64 LEU H   1  65 ALA H    4.470 . 4.470 3.256 1.972 4.598 0.128 16  0 "[    .    1    .    2]" 1 
       546 1  64 LEU HA  1  65 ALA H    3.580 . 3.580 3.228 2.078 3.626 0.046 20  0 "[    .    1    .    2]" 1 
       547 1  64 LEU QB  1  64 LEU MD1  3.760 . 3.760 2.255 2.104 2.494     .  0  0 "[    .    1    .    2]" 1 
       548 1  64 LEU QB  1  65 ALA H    4.710 . 4.710 2.822 2.040 3.941     .  0  0 "[    .    1    .    2]" 1 
       549 1  64 LEU MD1 1  65 ALA H    5.040 . 5.040 3.699 2.767 4.658     .  0  0 "[    .    1    .    2]" 1 
       550 1  65 ALA H   1  65 ALA MB       . . 3.190 2.453 2.249 2.912     .  0  0 "[    .    1    .    2]" 1 
       551 1  65 ALA HA  1  65 ALA MB   2.450 . 2.450 2.163 2.129 2.194     .  0  0 "[    .    1    .    2]" 1 
       552 1  65 ALA HA  1  66 ARG H    3.520 . 3.520 2.679 2.144 3.616 0.096  1  0 "[    .    1    .    2]" 1 
       553 1  65 ALA MB  1  66 ARG H    4.350 . 4.350 3.193 2.372 3.767     .  0  0 "[    .    1    .    2]" 1 
       554 1  66 ARG H   1  67 THR H    3.010 . 3.010 3.123 2.780 3.361 0.351 20  0 "[    .    1    .    2]" 1 
       555 1  66 ARG HA  1  66 ARG QG   3.400 . 3.400 2.568 2.222 3.078     .  0  0 "[    .    1    .    2]" 1 
       556 1  66 ARG HA  1  67 THR H    3.530 . 3.530 2.647 2.197 3.573 0.043 11  0 "[    .    1    .    2]" 1 
       557 1  67 THR H   1  67 THR HB   3.670 . 3.670 3.437 2.555 4.004 0.334  6  0 "[    .    1    .    2]" 1 
       558 1  67 THR H   1  68 GLU H    4.580 . 4.580 4.302 3.859 4.638 0.058 17  0 "[    .    1    .    2]" 1 
       559 1  67 THR HA  1  67 THR MG   3.800 . 3.800 2.471 2.265 3.309     .  0  0 "[    .    1    .    2]" 1 
       560 1  67 THR HA  1  68 GLU H    2.230 . 2.230 2.183 2.087 2.295 0.065  1  0 "[    .    1    .    2]" 1 
       561 1  67 THR HB  1  68 GLU H    4.470 . 4.470 3.880 2.391 4.494 0.024 18  0 "[    .    1    .    2]" 1 
       562 1  68 GLU H   1  68 GLU HB2  3.370 . 3.370 2.786 2.217 3.419 0.049 19  0 "[    .    1    .    2]" 1 
       563 1  68 GLU H   1  68 GLU QB   3.120 . 3.120 2.443 2.166 2.809     .  0  0 "[    .    1    .    2]" 1 
       564 1  68 GLU H   1  68 GLU HB3  3.370 . 3.370 2.924 2.429 3.633 0.263 17  0 "[    .    1    .    2]" 1 
       565 1  68 GLU H   1  69 ILE H    4.300 . 4.300 4.175 3.512 4.473 0.173 16  0 "[    .    1    .    2]" 1 
       566 1  68 GLU HA  1  68 GLU QG   3.480 . 3.480 2.648 2.257 3.315     .  0  0 "[    .    1    .    2]" 1 
       567 1  68 GLU HA  1  69 ILE H    2.270 . 2.270 2.183 2.056 2.454 0.184 13  0 "[    .    1    .    2]" 1 
       568 1  69 ILE H   1  69 ILE HB   2.920 . 2.920 2.898 2.504 3.837 0.917 12  2 "[    .    1 +  .   -2]" 1 
       569 1  69 ILE H   1  69 ILE MD   4.110 . 4.110 2.558 1.844 4.511 0.401 19  0 "[    .    1    .    2]" 1 
       570 1  69 ILE H   1  69 ILE QG   4.060 . 4.060 3.470 2.644 4.581 0.521 19  2 "[    .    1 -  .   +2]" 1 
       571 1  69 ILE H   1  69 ILE MG   4.690 . 4.690 3.793 2.351 4.143     .  0  0 "[    .    1    .    2]" 1 
       572 1  69 ILE HA  1  69 ILE QG       . . 2.810 2.656 2.432 3.079 0.269 12  0 "[    .    1    .    2]" 1 
       573 1  69 ILE HA  1  69 ILE MG   3.710 . 3.710 2.543 2.256 3.323     .  0  0 "[    .    1    .    2]" 1 
       574 1  69 ILE HA  1  70 LYS H    2.250 . 2.250 2.153 1.999 2.232     .  0  0 "[    .    1    .    2]" 1 
       575 1  69 ILE HB  1  69 ILE MD   3.680 . 3.680 2.390 2.250 2.481     .  0  0 "[    .    1    .    2]" 1 
       576 1  69 ILE HB  1  69 ILE MG   2.490 . 2.490 2.180 2.152 2.213     .  0  0 "[    .    1    .    2]" 1 
       577 1  69 ILE QG  1  69 ILE MG   2.830 . 2.830 2.075 2.033 2.135     .  0  0 "[    .    1    .    2]" 1 
       578 1  69 ILE QG  1  89 PHE QD   5.800 . 5.800 4.810 4.069 5.705     .  0  0 "[    .    1    .    2]" 1 
       579 1  69 ILE MG  1  70 LYS H    4.720 . 4.720 3.000 2.561 4.060     .  0  0 "[    .    1    .    2]" 1 
       580 1  70 LYS H   1  70 LYS QG   4.450 . 4.450 3.186 2.194 4.028     .  0  0 "[    .    1    .    2]" 1 
       581 1  70 LYS H   1  71 ASN H    3.400 . 3.400 3.481 2.428 3.685 0.285 11  0 "[    .    1    .    2]" 1 
       582 1  70 LYS HA  1  70 LYS QB   2.640 . 2.640 2.353 2.081 2.495     .  0  0 "[    .    1    .    2]" 1 
       583 1  70 LYS HA  1  70 LYS QG   3.720 . 3.720 2.691 2.232 3.473     .  0  0 "[    .    1    .    2]" 1 
       584 1  70 LYS HA  1  71 ASN H    2.360 . 2.360 2.267 2.058 2.440 0.080 12  0 "[    .    1    .    2]" 1 
       585 1  70 LYS HA  1  88 TYR HA   3.910 . 3.910 2.905 2.033 4.062 0.152 16  0 "[    .    1    .    2]" 1 
       586 1  70 LYS HA  1  89 PHE H    4.870 . 4.870 4.005 2.740 5.183 0.313 12  0 "[    .    1    .    2]" 1 
       587 1  71 ASN H   1  71 ASN HB2  3.870 . 3.870 2.960 2.481 3.851     .  0  0 "[    .    1    .    2]" 1 
       588 1  71 ASN H   1  71 ASN QB   3.270 . 3.270 2.593 2.278 2.930     .  0  0 "[    .    1    .    2]" 1 
       589 1  71 ASN H   1  71 ASN HB3  3.870 . 3.870 3.191 2.527 3.818     .  0  0 "[    .    1    .    2]" 1 
       590 1  71 ASN H   1  72 PHE H    3.920 . 3.920 3.976 3.725 4.353 0.433  9  0 "[    .    1    .    2]" 1 
       591 1  71 ASN H   1  88 TYR HA   2.590 . 2.590 2.570 1.924 2.841 0.251 15  0 "[    .    1    .    2]" 1 
       592 1  71 ASN H   1  88 TYR QB       . . 3.040 3.268 2.244 4.491 1.451 14  5 "[  - .* * 1   +.    *]" 1 
       593 1  71 ASN HA  1  72 PHE H    2.350 . 2.350 2.219 1.977 2.368 0.018  8  0 "[    .    1    .    2]" 1 
       594 1  72 PHE H   1  73 THR H    4.530 . 4.530 4.197 3.778 4.490     .  0  0 "[    .    1    .    2]" 1 
       595 1  72 PHE HA  1  73 THR H    2.290 . 2.290 2.179 2.109 2.305 0.015 19  0 "[    .    1    .    2]" 1 
       596 1  72 PHE HA  1  87 ASP H    3.620 . 3.620 3.513 3.076 3.919 0.299 12  0 "[    .    1    .    2]" 1 
       597 1  72 PHE HE2 1  74 VAL MG2  3.040 . 3.040 2.865 2.609 3.085 0.045 18  0 "[    .    1    .    2]" 1 
       598 1  73 THR H   1  73 THR HB   2.650 . 2.650 2.649 2.526 2.788 0.138 18  0 "[    .    1    .    2]" 1 
       599 1  73 THR H   1  74 VAL H    4.380 . 4.380 4.216 4.095 4.367     .  0  0 "[    .    1    .    2]" 1 
       600 1  73 THR H   1  86 GLY QA   4.510 . 4.510 3.324 2.195 3.993     .  0  0 "[    .    1    .    2]" 1 
       601 1  73 THR HA  1  73 THR HG1  2.560 . 2.560 2.661 2.418 2.794 0.234 11  0 "[    .    1    .    2]" 1 
       602 1  73 THR HA  1  73 THR MG   3.170 . 3.170 2.430 2.319 2.640     .  0  0 "[    .    1    .    2]" 1 
       603 1  73 THR HA  1  74 VAL H    2.240 . 2.240 2.124 2.077 2.200     .  0  0 "[    .    1    .    2]" 1 
       604 1  73 THR HB  1  85 GLU H    3.940 . 3.940 3.738 3.404 4.029 0.089  3  0 "[    .    1    .    2]" 1 
       605 1  73 THR HG1 1  74 VAL H    4.570 . 4.570 4.647 4.405 4.749 0.179  1  0 "[    .    1    .    2]" 1 
       606 1  73 THR MG  1  74 VAL H    4.060 . 4.060 3.281 3.043 3.577     .  0  0 "[    .    1    .    2]" 1 
       607 1  73 THR MG  1  75 PHE QD   4.430 . 4.430 3.630 3.158 3.959     .  0  0 "[    .    1    .    2]" 1 
       608 1  73 THR MG  1  75 PHE QE   4.680 . 4.680 2.623 2.219 2.845     .  0  0 "[    .    1    .    2]" 1 
       609 1  74 VAL H   1  74 VAL HB   3.450 . 3.450 3.257 3.121 3.452 0.002 16  0 "[    .    1    .    2]" 1 
       610 1  74 VAL H   1  74 VAL MG1  3.170 . 3.170 2.352 2.266 2.493     .  0  0 "[    .    1    .    2]" 1 
       611 1  74 VAL H   1  74 VAL MG2  4.660 . 4.660 4.056 4.024 4.105     .  0  0 "[    .    1    .    2]" 1 
       612 1  74 VAL H   1  75 PHE H    4.480 . 4.480 4.437 4.395 4.488 0.008  9  0 "[    .    1    .    2]" 1 
       613 1  74 VAL HA  1  74 VAL MG1  3.870 . 3.870 3.302 3.292 3.314     .  0  0 "[    .    1    .    2]" 1 
       614 1  74 VAL HA  1  74 VAL MG2  3.310 . 3.310 2.430 2.392 2.491     .  0  0 "[    .    1    .    2]" 1 
       615 1  74 VAL HA  1  75 PHE H    2.230 . 2.230 2.047 1.982 2.102     .  0  0 "[    .    1    .    2]" 1 
       616 1  74 VAL HA  1  84 TRP HA   2.150 . 2.150 2.121 2.070 2.197 0.047 16  0 "[    .    1    .    2]" 1 
       617 1  74 VAL HA  1  85 GLU H    3.110 . 3.110 3.257 2.927 3.497 0.387  8  0 "[    .    1    .    2]" 1 
       618 1  74 VAL HB  1  85 GLU H    3.920 . 3.920 3.898 3.745 4.082 0.162 19  0 "[    .    1    .    2]" 1 
       619 1  74 VAL MG1 1  75 PHE H    4.550 . 4.550 4.092 4.057 4.123     .  0  0 "[    .    1    .    2]" 1 
       620 1  74 VAL MG1 1  84 TRP HE3  5.390 . 5.390 4.800 4.528 4.945     .  0  0 "[    .    1    .    2]" 1 
       621 1  74 VAL MG2 1  75 PHE H    3.180 . 3.180 2.550 2.419 2.619     .  0  0 "[    .    1    .    2]" 1 
       622 1  74 VAL MG2 1  81 VAL HA   4.450 . 4.450 3.996 3.830 4.203     .  0  0 "[    .    1    .    2]" 1 
       623 1  74 VAL MG2 1  84 TRP HZ3  4.730 . 4.730 4.028 3.759 4.165     .  0  0 "[    .    1    .    2]" 1 
       624 1  75 PHE H   1  75 PHE HB2  2.450 . 2.450 2.436 2.400 2.459 0.009  3  0 "[    .    1    .    2]" 1 
       625 1  75 PHE H   1  75 PHE HB3  3.670 . 3.670 3.677 3.655 3.693 0.023  5  0 "[    .    1    .    2]" 1 
       626 1  75 PHE H   1  76 PHE H    4.520 . 4.520 4.572 4.464 4.605 0.085  8  0 "[    .    1    .    2]" 1 
       627 1  75 PHE H   1  84 TRP HA   3.390 . 3.390 3.376 3.265 3.504 0.114 19  0 "[    .    1    .    2]" 1 
       628 1  75 PHE H   1  84 TRP QB   5.600 . 5.600 4.101 3.571 4.405     .  0  0 "[    .    1    .    2]" 1 
       629 1  75 PHE HA  1  75 PHE QD       . . 2.970 2.870 2.797 2.922     .  0  0 "[    .    1    .    2]" 1 
       630 1  75 PHE HA  1  76 PHE H    2.210 . 2.210 2.096 2.060 2.132     .  0  0 "[    .    1    .    2]" 1 
       631 1  75 PHE HB2 1  83 ARG H    2.590 . 2.590 2.395 2.175 2.600 0.010  1  0 "[    .    1    .    2]" 1 
       632 1  75 PHE HB3 1  76 PHE H    3.520 . 3.520 3.267 3.049 3.531 0.011 17  0 "[    .    1    .    2]" 1 
       633 1  75 PHE HB3 1  83 ARG H    3.820 . 3.820 3.783 3.624 3.917 0.097  4  0 "[    .    1    .    2]" 1 
       634 1  75 PHE QD  1  83 ARG QG   4.620 . 4.620 3.367 2.134 4.257     .  0  0 "[    .    1    .    2]" 1 
       635 1  75 PHE QD  1  84 TRP HA   3.970 . 3.970 3.817 2.978 4.122 0.152 13  0 "[    .    1    .    2]" 1 
       636 1  76 PHE H   1  76 PHE HB2  3.870 . 3.870 2.827 2.723 2.919     .  0  0 "[    .    1    .    2]" 1 
       637 1  76 PHE H   1  76 PHE QB   3.270 . 3.270 2.764 2.671 2.846     .  0  0 "[    .    1    .    2]" 1 
       638 1  76 PHE H   1  76 PHE HB3  3.870 . 3.870 3.906 3.857 3.946 0.076  3  0 "[    .    1    .    2]" 1 
       639 1  76 PHE H   1  77 GLU H    4.500 . 4.500 4.514 4.449 4.582 0.082 19  0 "[    .    1    .    2]" 1 
       640 1  76 PHE HA  1  76 PHE HD1  2.890 . 2.890 2.653 2.373 2.941 0.051 10  0 "[    .    1    .    2]" 1 
       641 1  76 PHE HA  1  76 PHE HD2  4.470 . 4.470 4.542 4.410 4.722 0.252 18  0 "[    .    1    .    2]" 1 
       642 1  76 PHE HA  1  77 GLU H    2.230 . 2.230 2.240 2.195 2.291 0.061 10  0 "[    .    1    .    2]" 1 
       643 1  76 PHE HA  1  78 ASN H    4.750 . 4.750 4.778 4.476 4.923 0.173  8  0 "[    .    1    .    2]" 1 
       644 1  76 PHE HA  1  80 GLN HA   5.510 . 5.510 5.396 5.103 5.533 0.023  1  0 "[    .    1    .    2]" 1 
       645 1  76 PHE HA  1  81 VAL HA   2.680 . 2.680 2.719 2.519 2.842 0.162  7  0 "[    .    1    .    2]" 1 
       646 1  76 PHE HA  1  82 VAL H    2.950 . 2.950 2.960 2.682 3.116 0.166 18  0 "[    .    1    .    2]" 1 
       647 1  76 PHE HA  1  82 VAL MG2  3.290 . 3.290 2.976 2.627 3.238     .  0  0 "[    .    1    .    2]" 1 
       648 1  76 PHE HD1 1  77 GLU H    4.320 . 4.320 4.108 3.863 4.341 0.021  3  0 "[    .    1    .    2]" 1 
       649 1  76 PHE HD1 1  80 GLN H    5.290 . 5.290 4.947 4.485 5.352 0.062  4  0 "[    .    1    .    2]" 1 
       650 1  76 PHE HD1 1  81 VAL HA   2.320 . 2.320 2.205 2.081 2.302     .  0  0 "[    .    1    .    2]" 1 
       651 1  76 PHE HD1 1  81 VAL MG1      . . 3.160 2.969 2.750 3.095     .  0  0 "[    .    1    .    2]" 1 
       652 1  76 PHE HE1 1  81 VAL HA   3.650 . 3.650 3.552 3.357 3.675 0.025 18  0 "[    .    1    .    2]" 1 
       653 1  76 PHE HE1 1  81 VAL HB   4.420 . 4.420 4.441 4.385 4.488 0.068  5  0 "[    .    1    .    2]" 1 
       654 1  76 PHE HE1 1  81 VAL MG1  2.630 . 2.630 2.387 2.291 2.526     .  0  0 "[    .    1    .    2]" 1 
       655 1  76 PHE HE1 1  81 VAL MG2  3.680 . 3.680 2.059 2.027 2.103     .  0  0 "[    .    1    .    2]" 1 
       656 1  77 GLU H   1  78 ASN H    2.760 . 2.760 2.789 2.515 2.863 0.103  8  0 "[    .    1    .    2]" 1 
       657 1  77 GLU H   1  80 GLN H    3.300 . 3.300 3.502 3.319 3.572 0.272  6  0 "[    .    1    .    2]" 1 
       658 1  77 GLU H   1  81 VAL HA   4.220 . 4.220 4.134 3.711 4.395 0.175  7  0 "[    .    1    .    2]" 1 
       659 1  77 GLU H   1  82 VAL MG2      . . 3.330 3.013 2.578 3.291     .  0  0 "[    .    1    .    2]" 1 
       660 1  77 GLU HA  1  77 GLU QB   2.720 . 2.720 2.310 2.060 2.549     .  0  0 "[    .    1    .    2]" 1 
       661 1  77 GLU HA  1  78 ASN H    3.500 . 3.500 3.497 3.446 3.566 0.066 18  0 "[    .    1    .    2]" 1 
       662 1  77 GLU QG  1  82 VAL MG2  7.230 . 7.230 4.177 3.146 4.893     .  0  0 "[    .    1    .    2]" 1 
       663 1  78 ASN H   1  78 ASN QB   3.450 . 3.450 2.841 2.454 3.139     .  0  0 "[    .    1    .    2]" 1 
       664 1  78 ASN HA  1  79 GLU H    3.550 . 3.550 3.583 3.558 3.618 0.068  7  0 "[    .    1    .    2]" 1 
       665 1  79 GLU H   1  80 GLN H    2.360 . 2.360 2.355 2.018 2.504 0.144 15  0 "[    .    1    .    2]" 1 
       666 1  79 GLU HA  1  79 GLU QG   3.910 . 3.910 2.976 2.332 3.600     .  0  0 "[    .    1    .    2]" 1 
       667 1  80 GLN H   1  80 GLN HB3  2.960 . 2.960 2.865 2.707 2.981 0.021 14  0 "[    .    1    .    2]" 1 
       668 1  80 GLN H   1  81 VAL H    4.660 . 4.660 4.637 4.527 4.702 0.042 19  0 "[    .    1    .    2]" 1 
       669 1  80 GLN HA  1  80 GLN HB3  2.550 . 2.550 2.402 2.319 2.556 0.006  9  0 "[    .    1    .    2]" 1 
       670 1  80 GLN HA  1  80 GLN QG   3.940 . 3.940 3.464 3.381 3.585     .  0  0 "[    .    1    .    2]" 1 
       671 1  80 GLN HA  1  81 VAL H    2.230 . 2.230 2.150 2.051 2.293 0.063  5  0 "[    .    1    .    2]" 1 
       672 1  80 GLN HB2 1  81 VAL H    2.780 . 2.780 2.846 2.718 2.998 0.218 18  0 "[    .    1    .    2]" 1 
       673 1  81 VAL H   1  81 VAL HB   3.050 . 3.050 2.922 2.727 3.028     .  0  0 "[    .    1    .    2]" 1 
       674 1  81 VAL H   1  81 VAL MG1  4.510 . 4.510 3.927 3.877 3.962     .  0  0 "[    .    1    .    2]" 1 
       675 1  81 VAL H   1  81 VAL MG2  2.370 . 2.370 2.218 2.093 2.369     .  0  0 "[    .    1    .    2]" 1 
       676 1  81 VAL H   1  82 VAL H    4.570 . 4.570 4.577 4.508 4.617 0.047 14  0 "[    .    1    .    2]" 1 
       677 1  81 VAL HA  1  81 VAL MG1  3.660 . 3.660 2.283 2.244 2.334     .  0  0 "[    .    1    .    2]" 1 
       678 1  81 VAL HA  1  81 VAL MG2  3.790 . 3.790 2.724 2.608 2.833     .  0  0 "[    .    1    .    2]" 1 
       679 1  81 VAL HA  1  82 VAL H    2.280 . 2.280 2.098 2.058 2.144     .  0  0 "[    .    1    .    2]" 1 
       680 1  81 VAL HB  1  81 VAL MG1  2.530 . 2.530 2.177 2.167 2.193     .  0  0 "[    .    1    .    2]" 1 
       681 1  81 VAL HB  1  81 VAL MG2  2.350 . 2.350 2.155 2.148 2.164     .  0  0 "[    .    1    .    2]" 1 
       682 1  81 VAL MG1 1  82 VAL HA   4.520 . 4.520 4.312 4.256 4.373     .  0  0 "[    .    1    .    2]" 1 
       683 1  82 VAL H   1  83 ARG H    2.660 . 2.660 2.697 2.543 2.811 0.151  4  0 "[    .    1    .    2]" 1 
       684 1  82 VAL HA  1  82 VAL MG1  3.830 . 3.830 2.518 2.458 2.588     .  0  0 "[    .    1    .    2]" 1 
       685 1  82 VAL HA  1  82 VAL MG2  2.630 . 2.630 2.483 2.456 2.512     .  0  0 "[    .    1    .    2]" 1 
       686 1  82 VAL HA  1  83 ARG H    3.630 . 3.630 3.608 3.564 3.630 0.000 20  0 "[    .    1    .    2]" 1 
       687 1  82 VAL HB  1  82 VAL MG1  2.510 . 2.510 2.190 2.175 2.202     .  0  0 "[    .    1    .    2]" 1 
       688 1  82 VAL HB  1  83 ARG H    2.430 . 2.430 2.373 2.225 2.430 0.000  1  0 "[    .    1    .    2]" 1 
       689 1  83 ARG H   1  83 ARG HE   5.750 . 5.750 5.319 3.786 5.951 0.201 18  0 "[    .    1    .    2]" 1 
       690 1  83 ARG H   1  83 ARG QG   4.430 . 4.430 3.074 2.632 3.320     .  0  0 "[    .    1    .    2]" 1 
       691 1  83 ARG HA  1  83 ARG HB3  2.510 . 2.510 2.411 2.286 2.509     .  0  0 "[    .    1    .    2]" 1 
       692 1  83 ARG HA  1  83 ARG QG   3.950 . 3.950 3.527 3.407 3.610     .  0  0 "[    .    1    .    2]" 1 
       693 1  83 ARG HA  1  84 TRP H    2.260 . 2.260 2.332 2.192 2.464 0.204  4  0 "[    .    1    .    2]" 1 
       694 1  83 ARG HB2 1  84 TRP H    2.660 . 2.660 2.460 2.030 2.720 0.060 14  0 "[    .    1    .    2]" 1 
       695 1  83 ARG HE  1  84 TRP H    3.360 . 3.360 3.445 2.953 3.831 0.471  1  0 "[    .    1    .    2]" 1 
       696 1  84 TRP H   1  84 TRP HB2  3.820 . 3.820 3.905 3.789 4.150 0.330  1  0 "[    .    1    .    2]" 1 
       697 1  84 TRP H   1  84 TRP QB   3.480 . 3.480 3.209 3.098 3.462     .  0  0 "[    .    1    .    2]" 1 
       698 1  84 TRP H   1  84 TRP HB3  3.820 . 3.820 3.414 3.252 3.708     .  0  0 "[    .    1    .    2]" 1 
       699 1  84 TRP H   1  85 GLU H    4.530 . 4.530 4.418 3.946 4.600 0.070  3  0 "[    .    1    .    2]" 1 
       700 1  84 TRP HA  1  85 GLU H    2.280 . 2.280 2.063 1.966 2.167     .  0  0 "[    .    1    .    2]" 1 
       701 1  84 TRP QB  1  85 GLU H    4.080 . 4.080 2.904 2.548 3.528     .  0  0 "[    .    1    .    2]" 1 
       702 1  85 GLU H   1  86 GLY H    4.170 . 4.170 4.195 3.634 4.412 0.242 12  0 "[    .    1    .    2]" 1 
       703 1  85 GLU HA  1  85 GLU QB   2.700 . 2.700 2.400 2.074 2.584     .  0  0 "[    .    1    .    2]" 1 
       704 1  85 GLU HA  1  85 GLU QG   3.580 . 3.580 2.915 2.276 3.471     .  0  0 "[    .    1    .    2]" 1 
       705 1  85 GLU HA  1  86 GLY H    2.300 . 2.300 2.130 2.049 2.203     .  0  0 "[    .    1    .    2]" 1 
       706 1  86 GLY H   1  86 GLY QA   2.570 . 2.570 2.441 2.314 2.591 0.021  3  0 "[    .    1    .    2]" 1 
       707 1  86 GLY H   1  87 ASP H    4.530 . 4.530 4.098 3.272 4.581 0.051 17  0 "[    .    1    .    2]" 1 
       708 1  86 GLY QA  1  87 ASP H    2.780 . 2.780 2.186 2.061 2.364     .  0  0 "[    .    1    .    2]" 1 
       709 1  86 GLY HA2 1  87 ASP H    3.450 . 3.450 2.560 2.117 3.373     .  0  0 "[    .    1    .    2]" 1 
       710 1  86 GLY HA3 1  87 ASP H    3.450 . 3.450 2.922 2.092 3.500 0.050  2  0 "[    .    1    .    2]" 1 
       711 1  87 ASP H   1  88 TYR QB   5.350 . 5.350 4.223 3.344 5.095     .  0  0 "[    .    1    .    2]" 1 
       712 1  88 TYR H   1  88 TYR QB       . . 3.300 3.002 2.523 3.546 0.246 20  0 "[    .    1    .    2]" 1 
       713 1  88 TYR H   1  89 PHE H    4.670 . 4.670 3.924 2.462 4.707 0.037 19  0 "[    .    1    .    2]" 1 
       714 1  88 TYR HA  1  88 TYR QD       . . 4.330 3.567 2.697 3.830     .  0  0 "[    .    1    .    2]" 1 
       715 1  88 TYR HA  1  89 PHE H    3.430 . 3.430 2.520 2.056 3.534 0.104  9  0 "[    .    1    .    2]" 1 
       716 1  89 PHE HA  1  89 PHE QB   2.740 . 2.740 2.406 2.062 2.561     .  0  0 "[    .    1    .    2]" 1 
       717 1  89 PHE HA  1  90 PRO HD2  2.200 . 2.200 2.292 2.210 2.439 0.239  6  0 "[    .    1    .    2]" 1 
       718 1  89 PHE HA  1  90 PRO HD3  2.740 . 2.740 2.661 2.442 2.835 0.095 20  0 "[    .    1    .    2]" 1 
       719 1  90 PRO HA  1  91 SER H    2.430 . 2.430 2.467 2.237 2.604 0.174  9  0 "[    .    1    .    2]" 1 
       720 1  90 PRO HD2 1  91 SER H    4.590 . 4.590 4.492 4.224 4.729 0.139  8  0 "[    .    1    .    2]" 1 
       721 1  90 PRO HD3 1  91 SER H    4.910 . 4.910 4.850 4.626 5.016 0.106 12  0 "[    .    1    .    2]" 1 
       722 1  91 SER H   1  92 GLN H    3.280 . 3.280 3.276 2.438 3.801 0.521  8  1 "[    .  + 1    .    2]" 1 
       723 1  91 SER HA  1  91 SER QB   2.680 . 2.680 2.376 2.147 2.492     .  0  0 "[    .    1    .    2]" 1 
       724 1  91 SER HA  1  92 GLN H    2.490 . 2.490 2.362 2.093 2.666 0.176  4  0 "[    .    1    .    2]" 1 
       725 1  92 GLN H   1  93 ASP H    3.990 . 3.990 3.606 3.005 4.163 0.173  3  0 "[    .    1    .    2]" 1 
       726 1  92 GLN HA  1  92 GLN QB   2.590 . 2.590 2.242 2.083 2.444     .  0  0 "[    .    1    .    2]" 1 
       727 1  92 GLN HA  1  92 GLN QG   4.000 . 4.000 3.139 2.304 3.613     .  0  0 "[    .    1    .    2]" 1 
       728 1  92 GLN HA  1  93 ASP H    2.250 . 2.250 2.345 2.054 2.786 0.536  7  1 "[    . +  1    .    2]" 1 
       729 1  93 ASP H   1  93 ASP HA   2.340 . 2.340 2.916 2.307 3.068 0.728 18 15 "[*-***    *****.**+**]" 1 
       730 1  93 ASP H   1  94 GLU H    3.320 . 3.320 3.194 2.329 3.693 0.373  1  0 "[    .    1    .    2]" 1 
       731 1  93 ASP HA  1  93 ASP QB   2.650 . 2.650 2.335 2.087 2.586     .  0  0 "[    .    1    .    2]" 1 
       732 1  93 ASP HA  1  94 GLU H    2.520 . 2.520 2.361 1.994 2.938 0.418 19  0 "[    .    1    .    2]" 1 
       733 1  93 ASP HA  1  95 GLN H    4.510 . 4.510 4.158 3.151 4.706 0.196 16  0 "[    .    1    .    2]" 1 
       734 1  94 GLU H   1  94 GLU HA   2.900 . 2.900 2.905 2.375 3.054 0.154  7  0 "[    .    1    .    2]" 1 
       735 1  94 GLU H   1  94 GLU QG   5.430 . 5.430 3.529 2.184 4.575     .  0  0 "[    .    1    .    2]" 1 
       736 1  94 GLU H   1  95 GLN H    3.600 . 3.600 3.415 2.209 3.892 0.292  1  0 "[    .    1    .    2]" 1 
       737 1  94 GLU HA  1  95 GLN H    2.600 . 2.600 2.543 2.100 3.180 0.580 12  3 "[  * -    1 +  .    2]" 1 
       738 1  95 GLN H   1  95 GLN QB   3.560 . 3.560 2.692 2.149 3.134     .  0  0 "[    .    1    .    2]" 1 
       739 1  95 GLN H   1  95 GLN QG   5.600 . 5.600 4.063 2.646 4.622     .  0  0 "[    .    1    .    2]" 1 
       740 1  95 GLN H   1  96 LEU H    3.380 . 3.380 3.515 2.863 4.031 0.651  4  2 "[   +.    1    .-   2]" 1 
       741 1  95 GLN HA  1  96 LEU H    2.250 . 2.250 2.238 2.069 2.445 0.195 10  0 "[    .    1    .    2]" 1 
       742 1  96 LEU H   1  96 LEU HA   2.890 . 2.890 2.841 2.269 3.052 0.162 11  0 "[    .    1    .    2]" 1 
       743 1  96 LEU H   1  96 LEU QB   3.070 . 3.070 2.318 2.075 2.883     .  0  0 "[    .    1    .    2]" 1 
       744 1  96 LEU HA  1  97 ALA H    2.390 . 2.390 2.230 2.071 2.475 0.085  6  0 "[    .    1    .    2]" 1 
       745 1  96 LEU QB  1  97 ALA H    5.520 . 5.520 3.779 2.463 4.066     .  0  0 "[    .    1    .    2]" 1 
       746 1  97 ALA H   1  97 ALA HA   2.900 . 2.900 2.917 2.336 3.083 0.183  5  0 "[    .    1    .    2]" 1 
       747 1  97 ALA H   1  97 ALA MB   2.820 . 2.820 2.364 2.189 2.822 0.002  9  0 "[    .    1    .    2]" 1 
       748 1  97 ALA HA  1  97 ALA MB   2.500 . 2.500 2.172 2.134 2.222     .  0  0 "[    .    1    .    2]" 1 
       749 1  97 ALA HA  1  98 LYS H    2.480 . 2.480 2.308 2.102 2.901 0.421  5  0 "[    .    1    .    2]" 1 
       750 1  98 LYS HA  1  99 ALA H    2.260 . 2.260 2.271 2.119 2.429 0.169 12  0 "[    .    1    .    2]" 1 
       751 1  98 LYS QB  1  99 ALA H    5.280 . 5.280 3.763 2.368 4.045     .  0  0 "[    .    1    .    2]" 1 
       752 1  99 ALA H   1  99 ALA HA   2.940 . 2.940 2.932 2.762 3.051 0.111 12  0 "[    .    1    .    2]" 1 
       753 1  99 ALA H   1  99 ALA MB   3.640 . 3.640 2.378 2.194 3.005     .  0  0 "[    .    1    .    2]" 1 
       754 1  99 ALA H   1 100 ALA H    4.320 . 4.320 3.844 2.610 4.595 0.275  7  0 "[    .    1    .    2]" 1 
       755 1  99 ALA HA  1  99 ALA MB   2.490 . 2.490 2.170 2.152 2.189     .  0  0 "[    .    1    .    2]" 1 
       756 1  99 ALA MB  1 100 ALA H    4.520 . 4.520 3.075 2.076 3.731     .  0  0 "[    .    1    .    2]" 1 
       757 1 100 ALA H   1 100 ALA MB   2.560 . 2.560 2.380 2.181 2.592 0.032  1  0 "[    .    1    .    2]" 1 
       758 1 100 ALA H   1 102 LYS H    5.470 . 5.470 5.133 4.141 5.572 0.102  8  0 "[    .    1    .    2]" 1 
       759 1 100 ALA HA  1 101 PRO HD2  2.530 . 2.530 2.377 2.187 2.556 0.026  9  0 "[    .    1    .    2]" 1 
       760 1 100 ALA HA  1 101 PRO QD   2.270 . 2.270 2.160 2.106 2.237     .  0  0 "[    .    1    .    2]" 1 
       761 1 100 ALA HA  1 101 PRO HD3  2.530 . 2.530 2.513 2.310 2.749 0.219 13  0 "[    .    1    .    2]" 1 
       762 1 101 PRO HA  1 102 LYS H    2.460 . 2.460 2.338 2.155 2.493 0.033 10  0 "[    .    1    .    2]" 1 
       763 1 102 LYS HA  1 102 LYS QB   2.570 . 2.570 2.331 2.084 2.478     .  0  0 "[    .    1    .    2]" 1 
       764 1 102 LYS HA  1 103 GLN H    2.230 . 2.230 2.234 2.106 2.335 0.105  1  0 "[    .    1    .    2]" 1 
       765 1 103 GLN H   1 104 PHE H    3.870 . 3.870 3.866 3.332 4.361 0.491  6  0 "[    .    1    .    2]" 1 
       766 1 103 GLN HA  1 104 PHE H    2.500 . 2.500 2.262 1.972 2.540 0.040 14  0 "[    .    1    .    2]" 1 
       767 1 104 PHE H   1 105 GLY H    2.920 . 2.920 2.962 1.962 3.237 0.317  6  0 "[    .    1    .    2]" 1 
       768 1 104 PHE HA  1 104 PHE QB   2.590 . 2.590 2.246 2.057 2.586     .  0  0 "[    .    1    .    2]" 1 
       769 1 104 PHE HA  1 105 GLY H    3.140 . 3.140 2.756 2.187 3.517 0.377 19  0 "[    .    1    .    2]" 1 
       770 1 105 GLY H   1 105 GLY QA   2.610 . 2.610 2.391 2.305 2.542     .  0  0 "[    .    1    .    2]" 1 
       771 1 105 GLY H   1 106 ARG H    4.140 . 4.140 3.742 2.760 4.257 0.117  9  0 "[    .    1    .    2]" 1 
       772 1 105 GLY QA  1 106 ARG H    2.950 . 2.950 2.343 2.177 2.636     .  0  0 "[    .    1    .    2]" 1 
       773 1 105 GLY HA2 1 106 ARG H    3.500 . 3.500 2.720 2.207 3.528 0.028 15  0 "[    .    1    .    2]" 1 
       774 1 105 GLY HA3 1 106 ARG H    3.500 . 3.500 3.119 2.295 3.522 0.022  6  0 "[    .    1    .    2]" 1 
       775 1 106 ARG H   1 106 ARG QB   3.740 . 3.740 2.569 2.197 3.315     .  0  0 "[    .    1    .    2]" 1 
       776 1 106 ARG H   1 107 ASN H    4.340 . 4.340 3.964 3.118 4.483 0.143 12  0 "[    .    1    .    2]" 1 
       777 1 106 ARG HA  1 107 ASN H    2.250 . 2.250 2.218 2.051 2.369 0.119 15  0 "[    .    1    .    2]" 1 
       778 1 107 ASN H   1 107 ASN QB   3.380 . 3.380 2.533 2.205 3.069     .  0  0 "[    .    1    .    2]" 1 
       779 1 107 ASN H   1 107 ASN QD   5.550 . 5.550 4.038 2.393 4.949     .  0  0 "[    .    1    .    2]" 1 
       780 1 107 ASN H   1 108 LEU H    4.160 . 4.160 3.987 3.529 4.277 0.117  4  0 "[    .    1    .    2]" 1 
       781 1 107 ASN HA  1 108 LEU H    2.260 . 2.260 2.232 2.014 2.384 0.124 13  0 "[    .    1    .    2]" 1 
       782 1 108 LEU H   1 108 LEU HA   2.910 . 2.910 2.967 2.854 3.061 0.151  6  0 "[    .    1    .    2]" 1 
       783 1 108 LEU H   1 108 LEU QB   3.680 . 3.680 2.682 2.114 3.455     .  0  0 "[    .    1    .    2]" 1 
       784 1 108 LEU H   1 109 ALA H    3.940 . 3.940 3.855 3.010 4.277 0.337 20  0 "[    .    1    .    2]" 1 
       785 1 108 LEU HA  1 109 ALA H    2.380 . 2.380 2.250 2.129 2.556 0.176  6  0 "[    .    1    .    2]" 1 
       786 1 109 ALA H   1 109 ALA MB   2.560 . 2.560 2.371 2.191 2.663 0.103  6  0 "[    .    1    .    2]" 1 
       787 1 109 ALA H   1 110 ARG H    3.970 . 3.970 3.684 2.294 4.489 0.519 17  3 "[    .    1*   . + -2]" 1 
       788 1 109 ALA HA  1 110 ARG H    3.600 . 3.600 2.652 1.980 3.662 0.062  1  0 "[    .    1    .    2]" 1 
       789 1 109 ALA MB  1 110 ARG H        . . 3.770 2.770 2.051 3.492     .  0  0 "[    .    1    .    2]" 1 
       790 1 110 ARG H   1 110 ARG QB   3.910 . 3.910 2.807 2.342 3.331     .  0  0 "[    .    1    .    2]" 1 
       791 1 110 ARG H   1 111 ASP H    4.340 . 4.340 3.997 2.851 4.482 0.142 17  0 "[    .    1    .    2]" 1 
       792 1 110 ARG HA  1 110 ARG QB   2.680 . 2.680 2.385 2.098 2.623     .  0  0 "[    .    1    .    2]" 1 
       793 1 110 ARG HA  1 111 ASP H    2.230 . 2.230 2.198 2.104 2.339 0.109 12  0 "[    .    1    .    2]" 1 
       794 1 111 ASP H   1 111 ASP HA   2.830 . 2.830 2.946 2.804 3.040 0.210  4  0 "[    .    1    .    2]" 1 
       795 1 111 ASP H   1 111 ASP QB   3.260 . 3.260 2.518 2.114 3.100     .  0  0 "[    .    1    .    2]" 1 
       796 1 111 ASP H   1 112 LYS H    4.520 . 4.520 4.489 4.280 4.594 0.074  5  0 "[    .    1    .    2]" 1 
       797 1 111 ASP HA  1 111 ASP QB   2.630 . 2.630 2.337 2.128 2.554     .  0  0 "[    .    1    .    2]" 1 
       798 1 111 ASP HA  1 112 LYS H    2.400 . 2.400 2.359 2.088 2.722 0.322 13  0 "[    .    1    .    2]" 1 
       799 1 111 ASP QB  1 112 LYS H    2.990 . 2.990 2.446 1.902 3.014 0.024 19  0 "[    .    1    .    2]" 1 
       800 1 112 LYS H   1 112 LYS HA   2.920 . 2.920 2.982 2.801 3.063 0.143  5  0 "[    .    1    .    2]" 1 
       801 1 112 LYS H   1 112 LYS QB   3.670 . 3.670 2.881 2.451 3.444     .  0  0 "[    .    1    .    2]" 1 
       802 1 112 LYS H   1 113 LYS H    2.940 . 2.940 3.059 2.832 3.310 0.370 13  0 "[    .    1    .    2]" 1 
       803 1 112 LYS HA  1 113 LYS H    2.300 . 2.300 2.314 2.061 2.448 0.148  1  0 "[    .    1    .    2]" 1 
       804 1 113 LYS H   1 114 LYS H    4.580 . 4.580 4.131 3.090 4.664 0.084  1  0 "[    .    1    .    2]" 1 
       805 1 113 LYS HA  1 114 LYS H    2.250 . 2.250 2.268 2.115 2.402 0.152 15  0 "[    .    1    .    2]" 1 
       806 1 114 LYS H   1 115 GLN H    3.690 . 3.690 3.644 2.650 4.227 0.537  1  1 "[+   .    1    .    2]" 1 
       807 1 114 LYS HA  1 115 GLN H    3.550 . 3.550 2.543 2.067 3.623 0.073  4  0 "[    .    1    .    2]" 1 
       808 1 115 GLN H   1 115 GLN HA   2.840 . 2.840 2.964 2.776 3.077 0.237  8  0 "[    .    1    .    2]" 1 
       809 1 115 GLN H   1 115 GLN QB   3.360 . 3.360 2.664 2.233 3.108     .  0  0 "[    .    1    .    2]" 1 
       810 1 115 GLN H   1 116 ARG H    3.750 . 3.750 3.374 1.979 4.019 0.269  4  0 "[    .    1    .    2]" 1 
       811 1 115 GLN HA  1 116 ARG H    3.260 . 3.260 3.045 2.073 3.562 0.302  6  0 "[    .    1    .    2]" 1 
       812 1 116 ARG H   1 116 ARG QB   3.650 . 3.650 2.905 2.306 3.511     .  0  0 "[    .    1    .    2]" 1 
       813 1 116 ARG H   1 117 GLY H    3.490 . 3.490 3.613 2.693 3.985 0.495 10  0 "[    .    1    .    2]" 1 
       814 1 116 ARG HA  1 117 GLY H    2.310 . 2.310 2.194 2.039 2.421 0.111 14  0 "[    .    1    .    2]" 1 
       815 1 116 ARG QG  1 117 GLY H    5.340 . 5.340 3.986 2.783 4.777     .  0  0 "[    .    1    .    2]" 1 
       816 1 117 GLY H   1 117 GLY HA2  2.820 . 2.820 2.843 2.403 3.045 0.225 12  0 "[    .    1    .    2]" 1 
       817 1 117 GLY H   1 117 GLY QA   2.450 . 2.450 2.315 2.242 2.573 0.123 15  0 "[    .    1    .    2]" 1 
       818 1 117 GLY H   1 117 GLY HA3  2.820 . 2.820 2.488 2.366 2.975 0.155 14  0 "[    .    1    .    2]" 1 
       819 1 117 GLY H   1 118 ARG H    4.050 . 4.050 3.631 2.702 4.462 0.412  7  0 "[    .    1    .    2]" 1 
       820 1 117 GLY QA  1 118 ARG H    2.800 . 2.800 2.329 2.034 2.530     .  0  0 "[    .    1    .    2]" 1 
       821 1 117 GLY HA2 1 118 ARG H    3.470 . 3.470 3.029 2.058 3.520 0.050  8  0 "[    .    1    .    2]" 1 
       822 1 117 GLY HA3 1 118 ARG H    3.470 . 3.470 2.771 2.238 3.502 0.032 17  0 "[    .    1    .    2]" 1 
    stop_

save_



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