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
570573 2mcd 19436 cing 4-filtered-FRED Wattos check violation distance


data_2mcd


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              759
    _Distance_constraint_stats_list.Viol_count                    1377
    _Distance_constraint_stats_list.Viol_total                    2981.465
    _Distance_constraint_stats_list.Viol_max                      1.023
    _Distance_constraint_stats_list.Viol_rms                      0.0561
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0098
    _Distance_constraint_stats_list.Viol_average_violations_only  0.1083
    _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 25 SER  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 26 GLU  0.647 0.113  8  0 "[    .    1    .    2]" 
       1 27 ASP  2.012 0.160  1  0 "[    .    1    .    2]" 
       1 28 GLU  2.592 0.160  1  0 "[    .    1    .    2]" 
       1 29 ILE  1.410 0.140  9  0 "[    .    1    .    2]" 
       1 30 ASN  0.051 0.050  4  0 "[    .    1    .    2]" 
       1 31 TYR  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 32 MET  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 33 THR  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 35 PRO  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 36 GLU  0.408 0.074 17  0 "[    .    1    .    2]" 
       1 37 GLN  0.501 0.083 14  0 "[    .    1    .    2]" 
       1 38 GLU  0.970 0.102 12  0 "[    .    1    .    2]" 
       1 39 ALA  0.892 0.107  1  0 "[    .    1    .    2]" 
       1 40 GLN  1.631 0.131 17  0 "[    .    1    .    2]" 
       1 41 PRO  1.453 0.131 17  0 "[    .    1    .    2]" 
       1 42 GLY  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 43 ALA  4.832 0.696  7  3 "[*   .-+  1    .    2]" 
       1 44 LEU  9.065 0.696  7  3 "[*   .-+  1    .    2]" 
       1 45 ALA  5.395 0.448  8  0 "[    .    1    .    2]" 
       1 46 ALA  0.644 0.126  1  0 "[    .    1    .    2]" 
       1 47 LEU  1.066 0.148 13  0 "[    .    1    .    2]" 
       1 48 HIS 13.130 0.578  2 10 "[ +  .- **1* * . ****]" 
       1 49 ALA  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 50 GLU  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 51 GLY  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 52 PRO  0.157 0.070 20  0 "[    .    1    .    2]" 
       1 53 LEU  1.410 0.093 20  0 "[    .    1    .    2]" 
       1 54 ALA  4.122 0.102 17  0 "[    .    1    .    2]" 
       1 55 GLY  1.359 0.086 14  0 "[    .    1    .    2]" 
       1 56 LEU 22.221 0.732 15 20  [*****-********+*****]  
       1 57 PRO  1.479 0.554 10  1 "[    .    +    .    2]" 
       1 58 VAL 25.714 1.023 20 20  [*********-*********+]  
       1 59 THR  2.121 0.113  8  0 "[    .    1    .    2]" 
       1 60 ARG  0.641 0.079 16  0 "[    .    1    .    2]" 
       1 61 SER  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 62 ASP  1.498 0.104 16  0 "[    .    1    .    2]" 
       1 63 ALA  4.065 0.220 20  0 "[    .    1    .    2]" 
       1 64 ARG  0.012 0.006  4  0 "[    .    1    .    2]" 
       1 65 VAL  3.291 0.149 15  0 "[    .    1    .    2]" 
       1 66 LEU  5.688 0.554 10  1 "[    .    +    .    2]" 
       1 67 ILE  2.749 0.132 20  0 "[    .    1    .    2]" 
       1 68 PHE  3.236 0.092 17  0 "[    .    1    .    2]" 
       1 69 ASN  0.310 0.046 20  0 "[    .    1    .    2]" 
       1 70 GLU  0.001 0.001 15  0 "[    .    1    .    2]" 
       1 71 TRP 19.095 0.240  4  0 "[    .    1    .    2]" 
       1 72 GLU  2.651 0.088 20  0 "[    .    1    .    2]" 
       1 73 GLU  1.107 0.205 10  0 "[    .    1    .    2]" 
       1 74 ARG  4.704 0.291 12  0 "[    .    1    .    2]" 
       1 75 LYS  7.008 0.291 12  0 "[    .    1    .    2]" 
       1 76 LYS  0.566 0.077  5  0 "[    .    1    .    2]" 
       1 77 SER  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 78 GLU  2.851 0.226 19  0 "[    .    1    .    2]" 
       1 79 PRO  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 80 TRP  0.162 0.102 12  0 "[    .    1    .    2]" 
       1 81 LEU  6.594 0.204 19  0 "[    .    1    .    2]" 
       1 82 ARG  1.246 0.095 18  0 "[    .    1    .    2]" 
       1 83 LEU 21.310 0.240  4  0 "[    .    1    .    2]" 
       1 84 ASP  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 85 MET  4.085 0.218  2  0 "[    .    1    .    2]" 
       1 86 SER  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 87 ASP  0.427 0.157  2  0 "[    .    1    .    2]" 
       1 88 LYS  0.403 0.043  6  0 "[    .    1    .    2]" 
       1 89 ALA  2.800 0.171  2  0 "[    .    1    .    2]" 
       1 90 ILE  4.642 0.171  2  0 "[    .    1    .    2]" 
       1 91 PHE  3.097 0.103  5  0 "[    .    1    .    2]" 
       1 92 ARG  3.906 0.129 11  0 "[    .    1    .    2]" 
       1 93 ARG  0.040 0.015 18  0 "[    .    1    .    2]" 
       1 94 TYR 10.358 0.604  7 12 "[**  * + *1** *.-* **]" 
       1 95 PRO  0.038 0.031 12  0 "[    .    1    .    2]" 
       1 96 HIS 38.806 1.023 20 20  [*****-*************+]  
       1 97 LEU 18.206 0.604  7 12 "[**  * + *1** *.-* **]" 
       1 98 ARG  0.000 0.000  .  0 "[    .    1    .    2]" 
    stop_

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

         1 1 25 SER QB  1 26 GLU H    . . 5.300 3.426 2.361 4.071     .  0  0 "[    .    1    .    2]" 1 
         2 1 26 GLU H   1 26 GLU QG   . . 4.840 2.886 2.025 4.395     .  0  0 "[    .    1    .    2]" 1 
         3 1 26 GLU H   1 27 ASP H    . . 4.760 2.814 1.997 3.269     .  0  0 "[    .    1    .    2]" 1 
         4 1 26 GLU HA  1 29 ILE H    . . 3.210 3.206 2.799 3.323 0.113  8  0 "[    .    1    .    2]" 1 
         5 1 26 GLU HB2 1 27 ASP H    . . 4.720 4.150 2.889 4.649     .  0  0 "[    .    1    .    2]" 1 
         6 1 26 GLU HB3 1 27 ASP H    . . 4.720 4.409 3.922 4.653     .  0  0 "[    .    1    .    2]" 1 
         7 1 26 GLU QG  1 27 ASP H    . . 4.990 4.263 3.072 4.702     .  0  0 "[    .    1    .    2]" 1 
         8 1 27 ASP H   1 27 ASP HB2  . . 4.170 2.551 2.341 3.580     .  0  0 "[    .    1    .    2]" 1 
         9 1 27 ASP H   1 27 ASP QB   . . 3.460 2.284 2.153 2.517     .  0  0 "[    .    1    .    2]" 1 
        10 1 27 ASP H   1 27 ASP HB3  . . 4.170 2.834 2.434 3.621     .  0  0 "[    .    1    .    2]" 1 
        11 1 27 ASP HA  1 28 GLU H    . . 3.270 3.159 2.167 3.430 0.160  1  0 "[    .    1    .    2]" 1 
        12 1 27 ASP HB2 1 28 GLU H    . . 4.630 4.095 2.916 4.561     .  0  0 "[    .    1    .    2]" 1 
        13 1 27 ASP HB3 1 28 GLU H    . . 4.630 3.576 2.911 4.537     .  0  0 "[    .    1    .    2]" 1 
        14 1 28 GLU H   1 28 GLU HB2  . . 4.080 3.436 2.701 3.968     .  0  0 "[    .    1    .    2]" 1 
        15 1 28 GLU H   1 28 GLU QB   . . 3.450 2.924 2.456 3.422     .  0  0 "[    .    1    .    2]" 1 
        16 1 28 GLU H   1 28 GLU HB3  . . 4.080 3.259 2.771 4.070     .  0  0 "[    .    1    .    2]" 1 
        17 1 28 GLU H   1 28 GLU QG   . . 4.270 3.189 2.081 4.303 0.033 18  0 "[    .    1    .    2]" 1 
        18 1 28 GLU HA  1 29 ILE H    . . 3.210 3.123 2.608 3.350 0.140  9  0 "[    .    1    .    2]" 1 
        19 1 28 GLU HB2 1 29 ILE H    . . 4.660 4.407 4.141 4.642     .  0  0 "[    .    1    .    2]" 1 
        20 1 28 GLU HB3 1 29 ILE H    . . 4.660 4.270 3.301 4.616     .  0  0 "[    .    1    .    2]" 1 
        21 1 28 GLU QG  1 29 ILE H    . . 5.060 4.087 3.050 4.817     .  0  0 "[    .    1    .    2]" 1 
        22 1 29 ILE H   1 29 ILE HB   . . 3.510 2.722 2.417 3.595 0.085 14  0 "[    .    1    .    2]" 1 
        23 1 29 ILE H   1 29 ILE MD   . . 5.020 3.645 2.757 4.283     .  0  0 "[    .    1    .    2]" 1 
        24 1 29 ILE H   1 29 ILE HG12 . . 4.120 3.069 2.292 4.122 0.002  5  0 "[    .    1    .    2]" 1 
        25 1 29 ILE H   1 29 ILE HG13 . . 4.120 3.185 1.991 3.929     .  0  0 "[    .    1    .    2]" 1 
        26 1 29 ILE H   1 29 ILE MG   . . 4.190 3.713 2.076 4.002     .  0  0 "[    .    1    .    2]" 1 
        27 1 29 ILE H   1 30 ASN H    . . 4.470 3.812 2.470 4.520 0.050  4  0 "[    .    1    .    2]" 1 
        28 1 29 ILE HB  1 30 ASN H    . . 5.090 4.316 2.927 4.532     .  0  0 "[    .    1    .    2]" 1 
        29 1 30 ASN HA  1 31 TYR H    . . 3.560 2.723 2.149 3.517     .  0  0 "[    .    1    .    2]" 1 
        30 1 31 TYR H   1 31 TYR HB2  . . 4.170 3.052 2.346 3.987     .  0  0 "[    .    1    .    2]" 1 
        31 1 31 TYR H   1 31 TYR QB   . . 3.640 2.655 2.187 3.358     .  0  0 "[    .    1    .    2]" 1 
        32 1 31 TYR H   1 31 TYR HB3  . . 4.170 3.204 2.320 3.880     .  0  0 "[    .    1    .    2]" 1 
        33 1 32 MET QB  1 33 THR H    . . 4.790 3.425 2.162 4.056     .  0  0 "[    .    1    .    2]" 1 
        34 1 33 THR H   1 33 THR HB   . . 4.030 3.633 2.863 3.851     .  0  0 "[    .    1    .    2]" 1 
        35 1 33 THR H   1 33 THR MG   . . 4.780 3.014 2.249 3.997     .  0  0 "[    .    1    .    2]" 1 
        36 1 35 PRO HA  1 36 GLU H    . . 3.190 2.302 2.144 3.190     .  0  0 "[    .    1    .    2]" 1 
        37 1 36 GLU H   1 36 GLU HB2  . . 3.910 3.153 2.359 3.982 0.072 19  0 "[    .    1    .    2]" 1 
        38 1 36 GLU H   1 36 GLU QB   . . 3.360 2.738 2.331 3.259     .  0  0 "[    .    1    .    2]" 1 
        39 1 36 GLU H   1 36 GLU HB3  . . 3.910 3.448 2.564 3.877     .  0  0 "[    .    1    .    2]" 1 
        40 1 36 GLU H   1 36 GLU QG   . . 3.910 2.688 2.065 3.288     .  0  0 "[    .    1    .    2]" 1 
        41 1 36 GLU H   1 37 GLN H    . . 4.480 3.208 2.009 4.554 0.074 17  0 "[    .    1    .    2]" 1 
        42 1 36 GLU HA  1 37 GLN H    . . 3.400 2.880 2.115 3.465 0.065  3  0 "[    .    1    .    2]" 1 
        43 1 37 GLN H   1 37 GLN HB2  . . 4.180 2.948 2.338 3.900     .  0  0 "[    .    1    .    2]" 1 
        44 1 37 GLN H   1 37 GLN QB   . . 3.480 2.620 2.172 3.082     .  0  0 "[    .    1    .    2]" 1 
        45 1 37 GLN H   1 37 GLN HB3  . . 4.180 3.181 2.511 3.840     .  0  0 "[    .    1    .    2]" 1 
        46 1 37 GLN H   1 37 GLN QG   . . 4.330 3.727 2.369 4.256     .  0  0 "[    .    1    .    2]" 1 
        47 1 37 GLN HA  1 38 GLU H    . . 3.470 2.806 2.130 3.553 0.083 14  0 "[    .    1    .    2]" 1 
        48 1 37 GLN QG  1 38 GLU H    . . 4.790 3.852 2.495 4.654     .  0  0 "[    .    1    .    2]" 1 
        49 1 38 GLU H   1 38 GLU HB2  . . 4.030 3.129 2.386 4.018     .  0  0 "[    .    1    .    2]" 1 
        50 1 38 GLU H   1 38 GLU QB   . . 3.480 2.801 2.189 3.389     .  0  0 "[    .    1    .    2]" 1 
        51 1 38 GLU H   1 38 GLU HB3  . . 4.030 3.446 2.546 4.041 0.011  5  0 "[    .    1    .    2]" 1 
        52 1 38 GLU H   1 38 GLU QG   . . 4.150 3.110 2.030 4.193 0.043 13  0 "[    .    1    .    2]" 1 
        53 1 38 GLU H   1 39 ALA H    . . 4.300 3.502 2.142 4.393 0.093  6  0 "[    .    1    .    2]" 1 
        54 1 38 GLU QB  1 39 ALA H    . . 3.910 3.093 2.359 4.012 0.102 12  0 "[    .    1    .    2]" 1 
        55 1 38 GLU HB2 1 39 ALA H    . . 4.590 3.680 2.384 4.566     .  0  0 "[    .    1    .    2]" 1 
        56 1 38 GLU HB3 1 39 ALA H    . . 4.590 3.651 2.453 4.520     .  0  0 "[    .    1    .    2]" 1 
        57 1 38 GLU QG  1 39 ALA H    . . 4.670 3.938 1.768 4.574     .  0  0 "[    .    1    .    2]" 1 
        58 1 39 ALA H   1 39 ALA MB   . . 3.290 2.601 2.241 2.782     .  0  0 "[    .    1    .    2]" 1 
        59 1 39 ALA H   1 40 GLN H    . . 3.690 3.007 1.876 3.743 0.053 18  0 "[    .    1    .    2]" 1 
        60 1 39 ALA HA  1 40 GLN H    . . 3.110 2.719 2.382 3.217 0.107  1  0 "[    .    1    .    2]" 1 
        61 1 39 ALA MB  1 40 GLN H    . . 3.930 3.735 3.441 3.795     .  0  0 "[    .    1    .    2]" 1 
        62 1 40 GLN H   1 40 GLN HB2  . . 4.000 3.489 3.085 3.985     .  0  0 "[    .    1    .    2]" 1 
        63 1 40 GLN H   1 40 GLN QB   . . 3.430 2.908 2.678 3.259     .  0  0 "[    .    1    .    2]" 1 
        64 1 40 GLN H   1 40 GLN HB3  . . 4.000 3.119 2.892 3.472     .  0  0 "[    .    1    .    2]" 1 
        65 1 40 GLN H   1 41 PRO QB   . . 4.080 4.153 4.102 4.211 0.131 17  0 "[    .    1    .    2]" 1 
        66 1 40 GLN H   1 41 PRO QD   . . 4.940 2.705 2.351 2.911     .  0  0 "[    .    1    .    2]" 1 
        67 1 41 PRO HA  1 42 GLY H    . . 3.550 2.540 2.171 3.522     .  0  0 "[    .    1    .    2]" 1 
        68 1 41 PRO QG  1 42 GLY H    . . 4.890 4.046 2.577 4.600     .  0  0 "[    .    1    .    2]" 1 
        69 1 42 GLY H   1 43 ALA H    . . 5.090 3.767 2.658 4.676     .  0  0 "[    .    1    .    2]" 1 
        70 1 43 ALA H   1 43 ALA MB   . . 3.460 2.625 2.195 2.809     .  0  0 "[    .    1    .    2]" 1 
        71 1 43 ALA H   1 44 LEU H    . . 4.310 3.816 2.398 4.433 0.123  7  0 "[    .    1    .    2]" 1 
        72 1 43 ALA HA  1 44 LEU H    . . 3.000 2.378 2.044 3.043 0.043 12  0 "[    .    1    .    2]" 1 
        73 1 43 ALA MB  1 44 LEU H    . . 3.480 3.125 2.461 3.663 0.183 17  0 "[    .    1    .    2]" 1 
        74 1 43 ALA MB  1 44 LEU QD   . . 3.780 3.839 3.055 4.476 0.696  7  3 "[*   .-+  1    .    2]" 1 
        75 1 43 ALA MB  1 65 VAL MG1  . . 3.510 3.021 2.256 3.537 0.027  3  0 "[    .    1    .    2]" 1 
        76 1 43 ALA MB  1 65 VAL MG2  . . 3.510 2.619 2.065 3.532 0.022  4  0 "[    .    1    .    2]" 1 
        77 1 44 LEU H   1 44 LEU HB2  . . 3.740 2.761 2.269 3.849 0.109  1  0 "[    .    1    .    2]" 1 
        78 1 44 LEU H   1 44 LEU QB   . . 3.070 2.539 2.244 3.069     .  0  0 "[    .    1    .    2]" 1 
        79 1 44 LEU H   1 44 LEU HB3  . . 3.740 3.532 2.735 3.807 0.067  8  0 "[    .    1    .    2]" 1 
        80 1 44 LEU H   1 44 LEU QD   . . 4.150 2.688 1.892 3.677     .  0  0 "[    .    1    .    2]" 1 
        81 1 44 LEU H   1 45 ALA H    . . 4.580 4.536 4.427 4.637 0.057  4  0 "[    .    1    .    2]" 1 
        82 1 44 LEU H   1 65 VAL QG   . . 4.750 3.359 2.505 4.128     .  0  0 "[    .    1    .    2]" 1 
        83 1 44 LEU HA  1 44 LEU QD   . . 3.170 2.590 2.050 3.450 0.280  1  0 "[    .    1    .    2]" 1 
        84 1 44 LEU HA  1 65 VAL QG   . . 3.900 3.035 2.375 3.631     .  0  0 "[    .    1    .    2]" 1 
        85 1 44 LEU QB  1 44 LEU QD   . . 2.830 2.010 1.922 2.100     .  0  0 "[    .    1    .    2]" 1 
        86 1 44 LEU HB2 1 45 ALA H    . . 4.040 3.607 2.446 4.057 0.017 18  0 "[    .    1    .    2]" 1 
        87 1 44 LEU HB3 1 45 ALA H    . . 4.040 2.876 2.359 3.926     .  0  0 "[    .    1    .    2]" 1 
        88 1 44 LEU QD  1 45 ALA H    . . 3.510 3.449 2.805 3.958 0.448  8  0 "[    .    1    .    2]" 1 
        89 1 45 ALA H   1 45 ALA HA   . . 2.860 2.946 2.923 2.966 0.106  3  0 "[    .    1    .    2]" 1 
        90 1 45 ALA H   1 45 ALA MB   . . 3.100 2.588 2.458 2.666     .  0  0 "[    .    1    .    2]" 1 
        91 1 45 ALA H   1 65 VAL MG1  . . 4.870 3.479 3.038 3.777     .  0  0 "[    .    1    .    2]" 1 
        92 1 45 ALA H   1 65 VAL QG   . . 3.730 3.400 2.993 3.660     .  0  0 "[    .    1    .    2]" 1 
        93 1 45 ALA H   1 65 VAL MG2  . . 4.870 4.800 4.508 4.913 0.043 11  0 "[    .    1    .    2]" 1 
        94 1 45 ALA HA  1 46 ALA H    . . 3.020 2.182 2.131 2.295     .  0  0 "[    .    1    .    2]" 1 
        95 1 45 ALA HA  1 65 VAL QG   . . 3.740 3.520 3.388 3.704     .  0  0 "[    .    1    .    2]" 1 
        96 1 45 ALA MB  1 46 ALA H    . . 3.520 2.930 2.572 3.232     .  0  0 "[    .    1    .    2]" 1 
        97 1 45 ALA MB  1 62 ASP HA   . . 3.670 2.354 2.209 2.526     .  0  0 "[    .    1    .    2]" 1 
        98 1 45 ALA MB  1 62 ASP HB2  . . 4.160 3.971 3.867 4.067     .  0  0 "[    .    1    .    2]" 1 
        99 1 45 ALA MB  1 62 ASP QB   . . 3.360 2.489 2.394 2.563     .  0  0 "[    .    1    .    2]" 1 
       100 1 45 ALA MB  1 62 ASP HB3  . . 4.160 2.515 2.417 2.596     .  0  0 "[    .    1    .    2]" 1 
       101 1 45 ALA MB  1 65 VAL H    . . 4.400 4.206 4.114 4.311     .  0  0 "[    .    1    .    2]" 1 
       102 1 45 ALA MB  1 65 VAL HB   . . 3.170 2.234 2.170 2.300     .  0  0 "[    .    1    .    2]" 1 
       103 1 45 ALA MB  1 65 VAL MG1  . . 3.410 2.281 2.134 2.439     .  0  0 "[    .    1    .    2]" 1 
       104 1 45 ALA MB  1 65 VAL QG   . . 2.670 2.233 2.061 2.390     .  0  0 "[    .    1    .    2]" 1 
       105 1 45 ALA MB  1 65 VAL MG2  . . 3.410 3.218 2.667 3.446 0.036  3  0 "[    .    1    .    2]" 1 
       106 1 45 ALA MB  1 66 LEU H    . . 3.860 3.306 3.000 3.631     .  0  0 "[    .    1    .    2]" 1 
       107 1 45 ALA MB  1 66 LEU QD   . . 3.140 2.268 1.949 2.779     .  0  0 "[    .    1    .    2]" 1 
       108 1 45 ALA MB  1 66 LEU HG   . . 4.200 3.096 2.216 4.246 0.046 16  0 "[    .    1    .    2]" 1 
       109 1 46 ALA H   1 46 ALA MB   . . 3.020 2.317 2.295 2.347     .  0  0 "[    .    1    .    2]" 1 
       110 1 46 ALA H   1 47 LEU H    . . 4.710 4.589 4.559 4.617     .  0  0 "[    .    1    .    2]" 1 
       111 1 46 ALA H   1 58 VAL QG   . . 4.470 4.458 4.374 4.596 0.126  1  0 "[    .    1    .    2]" 1 
       112 1 46 ALA H   1 62 ASP HB2  . . 4.690 4.313 4.185 4.405     .  0  0 "[    .    1    .    2]" 1 
       113 1 46 ALA H   1 62 ASP QB   . . 3.850 3.229 3.053 3.372     .  0  0 "[    .    1    .    2]" 1 
       114 1 46 ALA H   1 62 ASP HB3  . . 4.690 3.336 3.137 3.501     .  0  0 "[    .    1    .    2]" 1 
       115 1 46 ALA HA  1 47 LEU H    . . 2.900 2.303 2.236 2.406     .  0  0 "[    .    1    .    2]" 1 
       116 1 46 ALA MB  1 47 LEU H    . . 3.540 2.631 2.429 2.802     .  0  0 "[    .    1    .    2]" 1 
       117 1 46 ALA MB  1 58 VAL H    . . 4.250 3.716 3.631 3.798     .  0  0 "[    .    1    .    2]" 1 
       118 1 46 ALA MB  1 58 VAL QG   . . 3.140 2.693 2.573 2.856     .  0  0 "[    .    1    .    2]" 1 
       119 1 47 LEU H   1 47 LEU HB2  . . 4.170 2.692 2.668 2.703     .  0  0 "[    .    1    .    2]" 1 
       120 1 47 LEU H   1 47 LEU QB   . . 3.450 2.640 2.619 2.649     .  0  0 "[    .    1    .    2]" 1 
       121 1 47 LEU H   1 47 LEU HB3  . . 4.170 3.813 3.803 3.824     .  0  0 "[    .    1    .    2]" 1 
       122 1 47 LEU H   1 47 LEU MD1  . . 4.280 4.151 4.081 4.220     .  0  0 "[    .    1    .    2]" 1 
       123 1 47 LEU H   1 47 LEU MD2  . . 4.280 3.878 3.698 4.034     .  0  0 "[    .    1    .    2]" 1 
       124 1 47 LEU H   1 47 LEU HG   . . 3.500 3.097 2.895 3.293     .  0  0 "[    .    1    .    2]" 1 
       125 1 47 LEU H   1 48 HIS H    . . 5.010 4.486 4.452 4.518     .  0  0 "[    .    1    .    2]" 1 
       126 1 47 LEU H   1 58 VAL QG   . . 4.530 3.285 3.165 3.411     .  0  0 "[    .    1    .    2]" 1 
       127 1 47 LEU HA  1 47 LEU QD   . . 3.250 2.209 2.158 2.240     .  0  0 "[    .    1    .    2]" 1 
       128 1 47 LEU HA  1 48 HIS H    . . 3.400 2.289 2.265 2.314     .  0  0 "[    .    1    .    2]" 1 
       129 1 47 LEU HA  1 57 PRO HA   . . 3.500 2.727 2.509 2.905     .  0  0 "[    .    1    .    2]" 1 
       130 1 47 LEU HA  1 58 VAL H    . . 4.150 3.653 3.337 3.917     .  0  0 "[    .    1    .    2]" 1 
       131 1 47 LEU HA  1 58 VAL QG   . . 3.760 2.625 2.533 2.721     .  0  0 "[    .    1    .    2]" 1 
       132 1 47 LEU QB  1 48 HIS H    . . 3.590 2.559 2.528 2.593     .  0  0 "[    .    1    .    2]" 1 
       133 1 47 LEU QB  1 55 GLY H    . . 4.280 3.325 3.220 3.401     .  0  0 "[    .    1    .    2]" 1 
       134 1 47 LEU QB  1 55 GLY QA   . . 4.780 2.848 2.726 3.022     .  0  0 "[    .    1    .    2]" 1 
       135 1 47 LEU HB2 1 48 HIS H    . . 4.270 3.743 3.665 3.823     .  0  0 "[    .    1    .    2]" 1 
       136 1 47 LEU HB2 1 55 GLY H    . . 4.910 4.677 4.543 4.804     .  0  0 "[    .    1    .    2]" 1 
       137 1 47 LEU HB3 1 48 HIS H    . . 4.270 2.606 2.576 2.637     .  0  0 "[    .    1    .    2]" 1 
       138 1 47 LEU HB3 1 55 GLY H    . . 4.910 3.404 3.279 3.504     .  0  0 "[    .    1    .    2]" 1 
       139 1 47 LEU QD  1 48 HIS H    . . 3.810 3.405 3.277 3.517     .  0  0 "[    .    1    .    2]" 1 
       140 1 47 LEU QD  1 55 GLY H    . . 4.650 3.833 3.615 4.018     .  0  0 "[    .    1    .    2]" 1 
       141 1 47 LEU QD  1 55 GLY QA   . . 4.320 2.334 2.257 2.421     .  0  0 "[    .    1    .    2]" 1 
       142 1 47 LEU QD  1 58 VAL H    . . 4.150 4.011 3.677 4.298 0.148 13  0 "[    .    1    .    2]" 1 
       143 1 47 LEU QD  1 58 VAL QG   . . 3.930 3.864 3.782 3.947 0.017  2  0 "[    .    1    .    2]" 1 
       144 1 47 LEU QD  1 66 LEU QD   . . 2.920 1.895 1.864 1.955     .  0  0 "[    .    1    .    2]" 1 
       145 1 47 LEU MD1 1 48 HIS H    . . 4.510 4.528 4.522 4.535 0.025  2  0 "[    .    1    .    2]" 1 
       146 1 47 LEU MD1 1 56 LEU H    . . 4.790 4.641 4.526 4.800 0.010 17  0 "[    .    1    .    2]" 1 
       147 1 47 LEU MD2 1 48 HIS H    . . 4.510 3.522 3.363 3.666     .  0  0 "[    .    1    .    2]" 1 
       148 1 47 LEU MD2 1 56 LEU H    . . 4.790 3.811 3.492 4.086     .  0  0 "[    .    1    .    2]" 1 
       149 1 48 HIS H   1 48 HIS HB2  . . 3.920 2.294 2.259 2.321     .  0  0 "[    .    1    .    2]" 1 
       150 1 48 HIS H   1 48 HIS QB   . . 3.330 2.269 2.235 2.294     .  0  0 "[    .    1    .    2]" 1 
       151 1 48 HIS H   1 48 HIS HB3  . . 3.920 3.581 3.560 3.601     .  0  0 "[    .    1    .    2]" 1 
       152 1 48 HIS H   1 48 HIS HD2  . . 3.930 3.178 3.027 3.354     .  0  0 "[    .    1    .    2]" 1 
       153 1 48 HIS H   1 54 ALA HA   . . 4.500 4.577 4.556 4.602 0.102 17  0 "[    .    1    .    2]" 1 
       154 1 48 HIS H   1 55 GLY H    . . 4.680 3.664 3.577 3.716     .  0  0 "[    .    1    .    2]" 1 
       155 1 48 HIS H   1 56 LEU H    . . 4.150 3.267 3.174 3.363     .  0  0 "[    .    1    .    2]" 1 
       156 1 48 HIS H   1 58 VAL QG   . . 3.720 3.190 3.103 3.258     .  0  0 "[    .    1    .    2]" 1 
       157 1 48 HIS HA  1 48 HIS HD2  . . 4.700 4.395 4.362 4.424     .  0  0 "[    .    1    .    2]" 1 
       158 1 48 HIS HA  1 58 VAL QG   . . 4.040 3.323 3.217 3.412     .  0  0 "[    .    1    .    2]" 1 
       159 1 48 HIS QB  1 50 GLU H    . . 3.950 3.044 2.923 3.167     .  0  0 "[    .    1    .    2]" 1 
       160 1 48 HIS QB  1 54 ALA H    . . 4.540 4.135 4.073 4.223     .  0  0 "[    .    1    .    2]" 1 
       161 1 48 HIS QB  1 54 ALA HA   . . 3.520 3.061 2.899 3.254     .  0  0 "[    .    1    .    2]" 1 
       162 1 48 HIS QB  1 55 GLY H    . . 3.930 3.459 3.325 3.557     .  0  0 "[    .    1    .    2]" 1 
       163 1 48 HIS QB  1 56 LEU H    . . 3.840 3.059 3.003 3.167     .  0  0 "[    .    1    .    2]" 1 
       164 1 48 HIS QB  1 58 VAL QG   . . 4.530 3.787 3.659 3.920     .  0  0 "[    .    1    .    2]" 1 
       165 1 48 HIS HB2 1 50 GLU H    . . 4.720 4.472 4.332 4.616     .  0  0 "[    .    1    .    2]" 1 
       166 1 48 HIS HB2 1 54 ALA H    . . 5.190 4.666 4.560 4.843     .  0  0 "[    .    1    .    2]" 1 
       167 1 48 HIS HB2 1 54 ALA HA   . . 4.190 3.401 3.180 3.695     .  0  0 "[    .    1    .    2]" 1 
       168 1 48 HIS HB2 1 55 GLY H    . . 4.540 3.618 3.461 3.746     .  0  0 "[    .    1    .    2]" 1 
       169 1 48 HIS HB2 1 56 LEU H    . . 4.600 3.104 3.043 3.224     .  0  0 "[    .    1    .    2]" 1 
       170 1 48 HIS HB3 1 50 GLU H    . . 4.720 3.097 2.969 3.227     .  0  0 "[    .    1    .    2]" 1 
       171 1 48 HIS HB3 1 54 ALA H    . . 5.190 4.620 4.530 4.717     .  0  0 "[    .    1    .    2]" 1 
       172 1 48 HIS HB3 1 54 ALA HA   . . 4.190 3.476 3.343 3.613     .  0  0 "[    .    1    .    2]" 1 
       173 1 48 HIS HB3 1 55 GLY H    . . 4.540 4.399 4.303 4.483     .  0  0 "[    .    1    .    2]" 1 
       174 1 48 HIS HB3 1 56 LEU H    . . 4.600 4.623 4.610 4.642 0.042 11  0 "[    .    1    .    2]" 1 
       175 1 48 HIS HD2 1 53 LEU HB2  . . 3.980 3.770 3.537 3.951     .  0  0 "[    .    1    .    2]" 1 
       176 1 48 HIS HD2 1 53 LEU QB   . . 3.490 2.550 2.445 2.624     .  0  0 "[    .    1    .    2]" 1 
       177 1 48 HIS HD2 1 53 LEU HB3  . . 3.980 2.594 2.492 2.664     .  0  0 "[    .    1    .    2]" 1 
       178 1 48 HIS HD2 1 53 LEU MD1  . . 4.540 2.934 2.778 3.129     .  0  0 "[    .    1    .    2]" 1 
       179 1 48 HIS HD2 1 53 LEU QD   . . 3.710 2.819 2.649 3.007     .  0  0 "[    .    1    .    2]" 1 
       180 1 48 HIS HD2 1 53 LEU MD2  . . 4.540 3.661 3.254 3.930     .  0  0 "[    .    1    .    2]" 1 
       181 1 48 HIS HD2 1 56 LEU H    . . 4.700 4.288 4.081 4.582     .  0  0 "[    .    1    .    2]" 1 
       182 1 48 HIS HD2 1 56 LEU HB2  . . 4.300 3.454 3.243 3.757     .  0  0 "[    .    1    .    2]" 1 
       183 1 48 HIS HD2 1 56 LEU QB   . . 3.630 3.311 3.158 3.533     .  0  0 "[    .    1    .    2]" 1 
       184 1 48 HIS HD2 1 56 LEU HB3  . . 4.300 4.309 4.145 4.359 0.059  8  0 "[    .    1    .    2]" 1 
       185 1 48 HIS HD2 1 56 LEU QD   . . 4.260 4.750 4.676 4.838 0.578  2 10 "[ +  .- **1* * . ****]" 1 
       186 1 48 HIS HD2 1 58 VAL HA   . . 3.710 3.624 3.338 3.737 0.027  1  0 "[    .    1    .    2]" 1 
       187 1 48 HIS HD2 1 58 VAL QG   . . 3.950 3.224 3.078 3.443     .  0  0 "[    .    1    .    2]" 1 
       188 1 48 HIS HE1 1 53 LEU QD   . . 3.940 3.700 3.487 3.831     .  0  0 "[    .    1    .    2]" 1 
       189 1 48 HIS HE1 1 58 VAL HA   . . 4.240 4.211 4.055 4.273 0.033 17  0 "[    .    1    .    2]" 1 
       190 1 48 HIS HE1 1 58 VAL MG1  . . 3.980 3.062 2.802 3.502     .  0  0 "[    .    1    .    2]" 1 
       191 1 48 HIS HE1 1 58 VAL QG   . . 3.250 2.889 2.708 3.146     .  0  0 "[    .    1    .    2]" 1 
       192 1 48 HIS HE1 1 58 VAL MG2  . . 3.980 3.605 3.460 3.693     .  0  0 "[    .    1    .    2]" 1 
       193 1 49 ALA HA  1 55 GLY H    . . 4.810 3.584 3.510 3.682     .  0  0 "[    .    1    .    2]" 1 
       194 1 49 ALA MB  1 50 GLU H    . . 3.590 3.145 2.995 3.313     .  0  0 "[    .    1    .    2]" 1 
       195 1 49 ALA MB  1 50 GLU QG   . . 3.560 3.022 2.576 3.543     .  0  0 "[    .    1    .    2]" 1 
       196 1 50 GLU H   1 50 GLU QG   . . 3.740 2.783 2.462 3.242     .  0  0 "[    .    1    .    2]" 1 
       197 1 50 GLU H   1 54 ALA HA   . . 4.540 3.416 3.258 3.564     .  0  0 "[    .    1    .    2]" 1 
       198 1 50 GLU H   1 54 ALA MB   . . 4.300 3.502 3.318 3.627     .  0  0 "[    .    1    .    2]" 1 
       199 1 50 GLU HA  1 54 ALA MB   . . 3.410 2.505 2.434 2.572     .  0  0 "[    .    1    .    2]" 1 
       200 1 50 GLU QB  1 51 GLY H    . . 5.040 2.369 2.305 2.432     .  0  0 "[    .    1    .    2]" 1 
       201 1 50 GLU QG  1 51 GLY H    . . 5.090 3.670 3.453 4.222     .  0  0 "[    .    1    .    2]" 1 
       202 1 51 GLY QA  1 53 LEU H    . . 4.390 3.342 3.302 3.396     .  0  0 "[    .    1    .    2]" 1 
       203 1 52 PRO QB  1 53 LEU QD   . . 4.030 3.849 3.717 4.100 0.070 20  0 "[    .    1    .    2]" 1 
       204 1 52 PRO QD  1 53 LEU H    . . 3.870 2.876 2.865 2.888     .  0  0 "[    .    1    .    2]" 1 
       205 1 52 PRO HD2 1 53 LEU H    . . 4.540 2.944 2.932 2.957     .  0  0 "[    .    1    .    2]" 1 
       206 1 52 PRO HD3 1 53 LEU H    . . 4.540 4.038 4.029 4.048     .  0  0 "[    .    1    .    2]" 1 
       207 1 53 LEU H   1 53 LEU HB2  . . 4.000 2.456 2.389 2.492     .  0  0 "[    .    1    .    2]" 1 
       208 1 53 LEU H   1 53 LEU QB   . . 3.420 2.421 2.359 2.454     .  0  0 "[    .    1    .    2]" 1 
       209 1 53 LEU H   1 53 LEU HB3  . . 4.000 3.664 3.637 3.682     .  0  0 "[    .    1    .    2]" 1 
       210 1 53 LEU H   1 53 LEU MD1  . . 4.000 3.805 3.723 3.872     .  0  0 "[    .    1    .    2]" 1 
       211 1 53 LEU H   1 53 LEU MD2  . . 4.000 3.796 3.706 3.975     .  0  0 "[    .    1    .    2]" 1 
       212 1 53 LEU H   1 53 LEU HG   . . 3.500 2.775 2.703 2.898     .  0  0 "[    .    1    .    2]" 1 
       213 1 53 LEU H   1 54 ALA H    . . 3.210 2.680 2.667 2.689     .  0  0 "[    .    1    .    2]" 1 
       214 1 53 LEU HA  1 53 LEU MD1  . . 4.270 3.863 3.850 3.877     .  0  0 "[    .    1    .    2]" 1 
       215 1 53 LEU HA  1 53 LEU QD   . . 2.930 2.166 2.124 2.201     .  0  0 "[    .    1    .    2]" 1 
       216 1 53 LEU HA  1 53 LEU MD2  . . 4.270 2.178 2.134 2.214     .  0  0 "[    .    1    .    2]" 1 
       217 1 53 LEU QB  1 53 LEU QD   . . 2.730 1.943 1.933 1.952     .  0  0 "[    .    1    .    2]" 1 
       218 1 53 LEU QB  1 56 LEU QB   . . 4.770 2.534 2.451 2.626     .  0  0 "[    .    1    .    2]" 1 
       219 1 53 LEU HB2 1 53 LEU MD1  . . 3.610 2.282 2.257 2.307     .  0  0 "[    .    1    .    2]" 1 
       220 1 53 LEU HB2 1 53 LEU MD2  . . 3.610 3.263 3.255 3.268     .  0  0 "[    .    1    .    2]" 1 
       221 1 53 LEU HB2 1 54 ALA H    . . 4.830 3.873 3.830 3.925     .  0  0 "[    .    1    .    2]" 1 
       222 1 53 LEU HB3 1 53 LEU MD1  . . 3.610 2.392 2.361 2.446     .  0  0 "[    .    1    .    2]" 1 
       223 1 53 LEU HB3 1 53 LEU MD2  . . 3.610 2.392 2.347 2.424     .  0  0 "[    .    1    .    2]" 1 
       224 1 53 LEU HB3 1 54 ALA H    . . 4.830 4.430 4.386 4.456     .  0  0 "[    .    1    .    2]" 1 
       225 1 53 LEU QD  1 54 ALA H    . . 4.530 4.592 4.574 4.623 0.093 20  0 "[    .    1    .    2]" 1 
       226 1 53 LEU QD  1 56 LEU QD   . . 3.000 2.149 2.092 2.200     .  0  0 "[    .    1    .    2]" 1 
       227 1 53 LEU QD  1 57 PRO QD   . . 4.170 3.944 3.839 4.027     .  0  0 "[    .    1    .    2]" 1 
       228 1 53 LEU QD  1 94 TYR QD   . . 4.100 3.661 3.619 3.706     .  0  0 "[    .    1    .    2]" 1 
       229 1 53 LEU QD  1 96 HIS QB   . . 3.180 2.150 2.087 2.232     .  0  0 "[    .    1    .    2]" 1 
       230 1 53 LEU QD  1 96 HIS HD2  . . 3.180 2.800 2.583 3.029     .  0  0 "[    .    1    .    2]" 1 
       231 1 53 LEU MD1 1 96 HIS HB2  . . 4.390 2.820 2.516 3.085     .  0  0 "[    .    1    .    2]" 1 
       232 1 53 LEU MD1 1 96 HIS HB3  . . 4.390 2.407 2.244 2.593     .  0  0 "[    .    1    .    2]" 1 
       233 1 53 LEU MD2 1 96 HIS HB2  . . 4.390 3.996 3.536 4.402 0.012 12  0 "[    .    1    .    2]" 1 
       234 1 53 LEU MD2 1 96 HIS HB3  . . 4.390 2.766 2.475 3.099     .  0  0 "[    .    1    .    2]" 1 
       235 1 54 ALA H   1 54 ALA MB   . . 2.840 2.218 2.214 2.221     .  0  0 "[    .    1    .    2]" 1 
       236 1 54 ALA H   1 55 GLY H    . . 4.430 4.498 4.470 4.516 0.086 14  0 "[    .    1    .    2]" 1 
       237 1 54 ALA H   1 56 LEU QD   . . 4.980 4.160 3.485 4.523     .  0  0 "[    .    1    .    2]" 1 
       238 1 54 ALA HA  1 55 GLY H    . . 3.110 2.088 2.074 2.115     .  0  0 "[    .    1    .    2]" 1 
       239 1 54 ALA HA  1 55 GLY QA   . . 4.490 3.944 3.937 3.958     .  0  0 "[    .    1    .    2]" 1 
       240 1 54 ALA HA  1 56 LEU H    . . 4.050 3.516 3.470 3.581     .  0  0 "[    .    1    .    2]" 1 
       241 1 54 ALA MB  1 55 GLY H    . . 3.670 3.226 3.151 3.334     .  0  0 "[    .    1    .    2]" 1 
       242 1 55 GLY H   1 56 LEU H    . . 3.670 2.574 2.476 2.639     .  0  0 "[    .    1    .    2]" 1 
       243 1 56 LEU H   1 56 LEU HB2  . . 3.760 2.548 2.387 2.624     .  0  0 "[    .    1    .    2]" 1 
       244 1 56 LEU H   1 56 LEU QB   . . 3.280 2.503 2.353 2.572     .  0  0 "[    .    1    .    2]" 1 
       245 1 56 LEU H   1 56 LEU HB3  . . 3.760 3.672 3.577 3.711     .  0  0 "[    .    1    .    2]" 1 
       246 1 56 LEU H   1 56 LEU QD   . . 4.140 2.930 2.442 3.252     .  0  0 "[    .    1    .    2]" 1 
       247 1 56 LEU H   1 56 LEU HG   . . 3.600 3.042 2.629 3.747 0.147 17  0 "[    .    1    .    2]" 1 
       248 1 56 LEU HA  1 57 PRO QD   . . 3.920 2.255 2.208 2.302     .  0  0 "[    .    1    .    2]" 1 
       249 1 56 LEU QB  1 56 LEU QD   . . 2.590 1.979 1.964 1.998     .  0  0 "[    .    1    .    2]" 1 
       250 1 56 LEU QB  1 57 PRO QD   . . 3.320 1.954 1.920 1.988     .  0  0 "[    .    1    .    2]" 1 
       251 1 56 LEU QB  1 94 TYR QD   . . 4.320 2.831 2.601 3.026     .  0  0 "[    .    1    .    2]" 1 
       252 1 56 LEU QB  1 94 TYR QE   . . 4.330 3.037 2.731 3.343     .  0  0 "[    .    1    .    2]" 1 
       253 1 56 LEU QB  1 96 HIS HE1  . . 4.140 3.741 3.494 3.942     .  0  0 "[    .    1    .    2]" 1 
       254 1 56 LEU HB2 1 57 PRO QD   . . 4.960 3.289 3.080 3.490     .  0  0 "[    .    1    .    2]" 1 
       255 1 56 LEU HB2 1 96 HIS HE1  . . 4.720 4.717 4.555 4.778 0.058 17  0 "[    .    1    .    2]" 1 
       256 1 56 LEU HB3 1 57 PRO QD   . . 4.960 1.969 1.935 2.000     .  0  0 "[    .    1    .    2]" 1 
       257 1 56 LEU HB3 1 96 HIS HE1  . . 4.720 3.939 3.592 4.233     .  0  0 "[    .    1    .    2]" 1 
       258 1 56 LEU QD  1 57 PRO QD   . . 3.930 2.958 2.882 3.070     .  0  0 "[    .    1    .    2]" 1 
       259 1 56 LEU QD  1 96 HIS HE1  . . 3.990 4.498 4.201 4.722 0.732 15 12 "[* ***-*  * ***+*   2]" 1 
       260 1 57 PRO HA  1 58 VAL H    . . 3.320 2.373 2.311 2.426     .  0  0 "[    .    1    .    2]" 1 
       261 1 57 PRO HA  1 58 VAL QG   . . 3.680 3.404 3.239 3.545     .  0  0 "[    .    1    .    2]" 1 
       262 1 57 PRO HA  1 66 LEU QD   . . 4.190 2.969 2.659 3.516     .  0  0 "[    .    1    .    2]" 1 
       263 1 57 PRO QB  1 62 ASP QB   . . 3.790 1.973 1.919 2.035     .  0  0 "[    .    1    .    2]" 1 
       264 1 57 PRO QB  1 63 ALA HA   . . 3.970 2.633 2.524 2.733     .  0  0 "[    .    1    .    2]" 1 
       265 1 57 PRO QB  1 66 LEU QD   . . 4.130 2.176 2.068 2.508     .  0  0 "[    .    1    .    2]" 1 
       266 1 57 PRO HB2 1 63 ALA HA   . . 4.590 3.307 2.985 3.532     .  0  0 "[    .    1    .    2]" 1 
       267 1 57 PRO HB3 1 63 ALA HA   . . 4.590 2.774 2.624 3.030     .  0  0 "[    .    1    .    2]" 1 
       268 1 57 PRO QD  1 66 LEU QD   . . 3.440 2.484 2.094 3.994 0.554 10  1 "[    .    +    .    2]" 1 
       269 1 57 PRO QD  1 94 TYR QD   . . 4.140 2.661 2.532 2.768     .  0  0 "[    .    1    .    2]" 1 
       270 1 57 PRO QD  1 94 TYR QE   . . 4.250 2.528 2.412 2.704     .  0  0 "[    .    1    .    2]" 1 
       271 1 57 PRO QD  1 96 HIS HE1  . . 4.060 3.035 2.808 3.286     .  0  0 "[    .    1    .    2]" 1 
       272 1 57 PRO QG  1 63 ALA HA   . . 4.370 2.195 2.133 2.308     .  0  0 "[    .    1    .    2]" 1 
       273 1 57 PRO QG  1 63 ALA MB   . . 3.640 2.237 2.162 2.343     .  0  0 "[    .    1    .    2]" 1 
       274 1 57 PRO QG  1 96 HIS HE1  . . 4.180 2.491 2.242 2.845     .  0  0 "[    .    1    .    2]" 1 
       275 1 57 PRO HG2 1 96 HIS HE1  . . 4.760 2.510 2.254 2.876     .  0  0 "[    .    1    .    2]" 1 
       276 1 57 PRO HG3 1 96 HIS HE1  . . 4.760 4.171 3.969 4.500     .  0  0 "[    .    1    .    2]" 1 
       277 1 58 VAL H   1 58 VAL HB   . . 3.590 2.651 2.542 2.723     .  0  0 "[    .    1    .    2]" 1 
       278 1 58 VAL H   1 58 VAL MG1  . . 4.180 3.887 3.852 3.913     .  0  0 "[    .    1    .    2]" 1 
       279 1 58 VAL H   1 58 VAL QG   . . 2.950 2.418 2.350 2.466     .  0  0 "[    .    1    .    2]" 1 
       280 1 58 VAL H   1 58 VAL MG2  . . 4.180 2.442 2.370 2.492     .  0  0 "[    .    1    .    2]" 1 
       281 1 58 VAL H   1 59 THR H    . . 3.950 2.295 2.133 2.510     .  0  0 "[    .    1    .    2]" 1 
       282 1 58 VAL H   1 62 ASP HB2  . . 4.530 2.642 2.499 2.790     .  0  0 "[    .    1    .    2]" 1 
       283 1 58 VAL H   1 62 ASP HB3  . . 4.530 2.834 2.707 2.911     .  0  0 "[    .    1    .    2]" 1 
       284 1 58 VAL HA  1 58 VAL MG1  . . 3.300 2.332 2.300 2.394     .  0  0 "[    .    1    .    2]" 1 
       285 1 58 VAL HA  1 58 VAL MG2  . . 3.300 2.458 2.361 2.534     .  0  0 "[    .    1    .    2]" 1 
       286 1 58 VAL HB  1 59 THR H    . . 3.740 2.911 2.857 3.003     .  0  0 "[    .    1    .    2]" 1 
       287 1 58 VAL HB  1 59 THR MG   . . 3.850 2.792 2.643 2.933     .  0  0 "[    .    1    .    2]" 1 
       288 1 58 VAL QG  1 59 THR H    . . 3.660 3.440 3.375 3.500     .  0  0 "[    .    1    .    2]" 1 
       289 1 58 VAL QG  1 59 THR HA   . . 4.070 4.062 3.924 4.183 0.113  8  0 "[    .    1    .    2]" 1 
       290 1 58 VAL QG  1 59 THR MG   . . 2.880 2.714 2.483 2.894 0.014  8  0 "[    .    1    .    2]" 1 
       291 1 58 VAL QG  1 96 HIS HD2  . . 4.190 4.367 4.080 4.563 0.373 19  0 "[    .    1    .    2]" 1 
       292 1 58 VAL QG  1 96 HIS HE1  . . 4.340 5.323 5.261 5.363 1.023 20 20  [*********-*********+]  1 
       293 1 58 VAL MG1 1 59 THR H    . . 4.190 3.793 3.613 3.939     .  0  0 "[    .    1    .    2]" 1 
       294 1 58 VAL MG2 1 59 THR H    . . 4.190 3.951 3.855 4.050     .  0  0 "[    .    1    .    2]" 1 
       295 1 59 THR H   1 59 THR MG   . . 3.600 2.602 2.562 2.655     .  0  0 "[    .    1    .    2]" 1 
       296 1 59 THR H   1 62 ASP H    . . 4.160 3.294 3.241 3.411     .  0  0 "[    .    1    .    2]" 1 
       297 1 59 THR H   1 62 ASP HB2  . . 4.110 2.037 1.959 2.130     .  0  0 "[    .    1    .    2]" 1 
       298 1 59 THR H   1 62 ASP QB   . . 3.510 2.021 1.946 2.112     .  0  0 "[    .    1    .    2]" 1 
       299 1 59 THR H   1 62 ASP HB3  . . 4.110 3.389 3.331 3.479     .  0  0 "[    .    1    .    2]" 1 
       300 1 59 THR H   1 63 ALA H    . . 4.800 3.944 3.877 4.023     .  0  0 "[    .    1    .    2]" 1 
       301 1 59 THR HA  1 59 THR MG   . . 3.160 2.411 2.389 2.431     .  0  0 "[    .    1    .    2]" 1 
       302 1 59 THR HA  1 62 ASP H    . . 4.390 4.465 4.443 4.494 0.104 16  0 "[    .    1    .    2]" 1 
       303 1 59 THR HA  1 97 LEU QD   . . 3.510 2.324 2.185 2.448     .  0  0 "[    .    1    .    2]" 1 
       304 1 59 THR HB  1 60 ARG H    . . 5.020 2.260 2.188 2.342     .  0  0 "[    .    1    .    2]" 1 
       305 1 59 THR HB  1 61 SER H    . . 3.950 2.967 2.857 3.097     .  0  0 "[    .    1    .    2]" 1 
       306 1 59 THR HB  1 62 ASP H    . . 4.630 3.693 3.562 3.764     .  0  0 "[    .    1    .    2]" 1 
       307 1 59 THR MG  1 61 SER H    . . 4.660 4.330 4.221 4.441     .  0  0 "[    .    1    .    2]" 1 
       308 1 59 THR MG  1 62 ASP H    . . 4.390 3.919 3.863 3.960     .  0  0 "[    .    1    .    2]" 1 
       309 1 59 THR MG  1 97 LEU QD   . . 4.030 3.762 3.742 3.782     .  0  0 "[    .    1    .    2]" 1 
       310 1 60 ARG HA  1 63 ALA H    . . 4.160 3.376 3.212 3.519     .  0  0 "[    .    1    .    2]" 1 
       311 1 60 ARG HA  1 63 ALA MB   . . 3.480 2.518 2.402 2.670     .  0  0 "[    .    1    .    2]" 1 
       312 1 60 ARG HA  1 90 ILE MG   . . 4.310 3.005 2.741 3.723     .  0  0 "[    .    1    .    2]" 1 
       313 1 60 ARG HA  1 97 LEU QD   . . 4.520 2.461 2.270 2.784     .  0  0 "[    .    1    .    2]" 1 
       314 1 60 ARG HA  1 97 LEU HG   . . 3.380 3.373 3.100 3.459 0.079 16  0 "[    .    1    .    2]" 1 
       315 1 60 ARG QB  1 61 SER H    . . 4.550 2.849 2.490 3.585     .  0  0 "[    .    1    .    2]" 1 
       316 1 61 SER H   1 61 SER QB   . . 3.750 2.464 2.248 2.724     .  0  0 "[    .    1    .    2]" 1 
       317 1 61 SER H   1 62 ASP H    . . 3.910 2.799 2.693 2.854     .  0  0 "[    .    1    .    2]" 1 
       318 1 61 SER HA  1 64 ARG H    . . 4.220 3.554 3.378 3.745     .  0  0 "[    .    1    .    2]" 1 
       319 1 61 SER QB  1 62 ASP H    . . 3.830 2.610 2.394 3.419     .  0  0 "[    .    1    .    2]" 1 
       320 1 62 ASP H   1 62 ASP HB2  . . 3.970 2.564 2.527 2.605     .  0  0 "[    .    1    .    2]" 1 
       321 1 62 ASP H   1 62 ASP QB   . . 3.420 2.515 2.481 2.552     .  0  0 "[    .    1    .    2]" 1 
       322 1 62 ASP H   1 62 ASP HB3  . . 3.970 3.638 3.619 3.666     .  0  0 "[    .    1    .    2]" 1 
       323 1 62 ASP H   1 63 ALA H    . . 3.390 2.868 2.815 2.923     .  0  0 "[    .    1    .    2]" 1 
       324 1 62 ASP HA  1 65 VAL H    . . 4.330 3.661 3.516 3.827     .  0  0 "[    .    1    .    2]" 1 
       325 1 62 ASP HA  1 65 VAL HB   . . 3.190 2.755 2.641 2.958     .  0  0 "[    .    1    .    2]" 1 
       326 1 62 ASP HA  1 65 VAL QG   . . 3.610 3.304 3.160 3.493     .  0  0 "[    .    1    .    2]" 1 
       327 1 62 ASP QB  1 63 ALA H    . . 3.540 2.439 2.322 2.528     .  0  0 "[    .    1    .    2]" 1 
       328 1 62 ASP HB2 1 63 ALA H    . . 4.110 2.485 2.363 2.578     .  0  0 "[    .    1    .    2]" 1 
       329 1 62 ASP HB3 1 63 ALA H    . . 4.110 3.548 3.411 3.646     .  0  0 "[    .    1    .    2]" 1 
       330 1 63 ALA H   1 63 ALA MB   . . 3.170 2.203 2.185 2.216     .  0  0 "[    .    1    .    2]" 1 
       331 1 63 ALA H   1 64 ARG H    . . 3.530 2.903 2.848 2.946     .  0  0 "[    .    1    .    2]" 1 
       332 1 63 ALA H   1 97 LEU HG   . . 4.460 4.516 4.470 4.566 0.106  3  0 "[    .    1    .    2]" 1 
       333 1 63 ALA HA  1 66 LEU H    . . 4.220 3.603 3.539 3.716     .  0  0 "[    .    1    .    2]" 1 
       334 1 63 ALA HA  1 66 LEU QB   . . 4.260 2.613 2.491 2.737     .  0  0 "[    .    1    .    2]" 1 
       335 1 63 ALA HA  1 66 LEU QD   . . 3.550 3.098 2.719 3.770 0.220 20  0 "[    .    1    .    2]" 1 
       336 1 63 ALA MB  1 64 ARG H    . . 3.520 2.635 2.572 2.716     .  0  0 "[    .    1    .    2]" 1 
       337 1 63 ALA MB  1 67 ILE MD   . . 3.830 3.243 3.102 3.424     .  0  0 "[    .    1    .    2]" 1 
       338 1 63 ALA MB  1 90 ILE MD   . . 3.590 3.577 3.086 3.624 0.034 12  0 "[    .    1    .    2]" 1 
       339 1 63 ALA MB  1 90 ILE MG   . . 2.900 2.391 2.070 2.904 0.004 16  0 "[    .    1    .    2]" 1 
       340 1 63 ALA MB  1 94 TYR QD   . . 3.770 2.370 2.266 2.468     .  0  0 "[    .    1    .    2]" 1 
       341 1 63 ALA MB  1 94 TYR QE   . . 4.170 2.518 2.378 2.680     .  0  0 "[    .    1    .    2]" 1 
       342 1 63 ALA MB  1 96 HIS HE1  . . 4.230 4.331 4.301 4.362 0.132 19  0 "[    .    1    .    2]" 1 
       343 1 63 ALA MB  1 97 LEU HG   . . 2.970 2.804 2.642 2.946     .  0  0 "[    .    1    .    2]" 1 
       344 1 64 ARG H   1 64 ARG QB   . . 3.160 2.259 2.172 2.370     .  0  0 "[    .    1    .    2]" 1 
       345 1 64 ARG H   1 64 ARG QG   . . 4.010 3.544 2.409 4.016 0.006  4  0 "[    .    1    .    2]" 1 
       346 1 64 ARG H   1 65 VAL H    . . 3.560 2.794 2.748 2.858     .  0  0 "[    .    1    .    2]" 1 
       347 1 64 ARG HA  1 67 ILE H    . . 4.190 3.548 3.391 3.755     .  0  0 "[    .    1    .    2]" 1 
       348 1 64 ARG HA  1 67 ILE HB   . . 4.090 2.625 2.476 2.824     .  0  0 "[    .    1    .    2]" 1 
       349 1 64 ARG HA  1 67 ILE MD   . . 3.750 2.668 2.442 3.078     .  0  0 "[    .    1    .    2]" 1 
       350 1 64 ARG HA  1 67 ILE MG   . . 4.530 3.916 3.790 4.141     .  0  0 "[    .    1    .    2]" 1 
       351 1 64 ARG HA  1 85 MET HA   . . 5.500 4.863 4.517 5.122     .  0  0 "[    .    1    .    2]" 1 
       352 1 64 ARG QB  1 65 VAL H    . . 3.840 2.634 2.505 2.793     .  0  0 "[    .    1    .    2]" 1 
       353 1 65 VAL H   1 65 VAL HB   . . 3.330 2.431 2.384 2.466     .  0  0 "[    .    1    .    2]" 1 
       354 1 65 VAL H   1 65 VAL MG1  . . 3.940 3.809 3.779 3.821     .  0  0 "[    .    1    .    2]" 1 
       355 1 65 VAL H   1 65 VAL QG   . . 2.950 2.271 2.214 2.310     .  0  0 "[    .    1    .    2]" 1 
       356 1 65 VAL H   1 65 VAL MG2  . . 3.940 2.289 2.228 2.329     .  0  0 "[    .    1    .    2]" 1 
       357 1 65 VAL H   1 66 LEU H    . . 3.510 2.802 2.724 2.890     .  0  0 "[    .    1    .    2]" 1 
       358 1 65 VAL HA  1 65 VAL MG1  . . 3.400 2.505 2.459 2.541     .  0  0 "[    .    1    .    2]" 1 
       359 1 65 VAL HA  1 65 VAL QG   . . 2.850 2.140 2.118 2.155     .  0  0 "[    .    1    .    2]" 1 
       360 1 65 VAL HA  1 65 VAL MG2  . . 3.400 2.323 2.298 2.350     .  0  0 "[    .    1    .    2]" 1 
       361 1 65 VAL HA  1 68 PHE H    . . 4.150 3.551 3.387 3.766     .  0  0 "[    .    1    .    2]" 1 
       362 1 65 VAL HA  1 68 PHE HB2  . . 4.210 3.630 3.436 3.955     .  0  0 "[    .    1    .    2]" 1 
       363 1 65 VAL HA  1 68 PHE HB3  . . 4.210 2.872 2.693 3.005     .  0  0 "[    .    1    .    2]" 1 
       364 1 65 VAL HB  1 66 LEU H    . . 3.590 2.567 2.482 2.651     .  0  0 "[    .    1    .    2]" 1 
       365 1 65 VAL QG  1 66 LEU H    . . 3.310 3.081 2.984 3.167     .  0  0 "[    .    1    .    2]" 1 
       366 1 65 VAL MG1 1 66 LEU H    . . 3.820 3.216 3.087 3.329     .  0  0 "[    .    1    .    2]" 1 
       367 1 65 VAL MG2 1 66 LEU H    . . 3.820 3.951 3.932 3.969 0.149 15  0 "[    .    1    .    2]" 1 
       368 1 66 LEU H   1 66 LEU HB2  . . 3.790 2.355 2.201 2.491     .  0  0 "[    .    1    .    2]" 1 
       369 1 66 LEU H   1 66 LEU QB   . . 3.220 2.325 2.179 2.451     .  0  0 "[    .    1    .    2]" 1 
       370 1 66 LEU H   1 66 LEU HB3  . . 3.790 3.592 3.502 3.656     .  0  0 "[    .    1    .    2]" 1 
       371 1 66 LEU H   1 66 LEU QD   . . 3.730 2.922 2.331 3.354     .  0  0 "[    .    1    .    2]" 1 
       372 1 66 LEU H   1 66 LEU HG   . . 3.980 3.181 2.424 4.052 0.072 20  0 "[    .    1    .    2]" 1 
       373 1 66 LEU H   1 67 ILE H    . . 3.670 2.956 2.882 3.013     .  0  0 "[    .    1    .    2]" 1 
       374 1 66 LEU HA  1 66 LEU QD   . . 3.000 2.125 1.982 2.334     .  0  0 "[    .    1    .    2]" 1 
       375 1 66 LEU HA  1 69 ASN H    . . 3.980 3.569 3.320 3.701     .  0  0 "[    .    1    .    2]" 1 
       376 1 66 LEU HA  1 69 ASN HB2  . . 4.350 4.022 2.741 4.396 0.046 20  0 "[    .    1    .    2]" 1 
       377 1 66 LEU HA  1 69 ASN HB3  . . 4.350 3.195 2.641 4.389 0.039 12  0 "[    .    1    .    2]" 1 
       378 1 66 LEU QB  1 66 LEU QD   . . 2.880 1.969 1.905 2.119     .  0  0 "[    .    1    .    2]" 1 
       379 1 66 LEU QB  1 67 ILE H    . . 3.200 2.613 2.495 2.782     .  0  0 "[    .    1    .    2]" 1 
       380 1 67 ILE H   1 67 ILE HB   . . 3.320 2.384 2.348 2.422     .  0  0 "[    .    1    .    2]" 1 
       381 1 67 ILE H   1 67 ILE MD   . . 3.830 3.461 3.393 3.502     .  0  0 "[    .    1    .    2]" 1 
       382 1 67 ILE H   1 67 ILE HG12 . . 4.460 3.762 3.700 3.809     .  0  0 "[    .    1    .    2]" 1 
       383 1 67 ILE H   1 67 ILE QG   . . 3.750 2.375 2.301 2.437     .  0  0 "[    .    1    .    2]" 1 
       384 1 67 ILE H   1 67 ILE HG13 . . 4.460 2.401 2.324 2.467     .  0  0 "[    .    1    .    2]" 1 
       385 1 67 ILE H   1 67 ILE MG   . . 3.930 3.801 3.787 3.815     .  0  0 "[    .    1    .    2]" 1 
       386 1 67 ILE H   1 68 PHE H    . . 3.650 2.927 2.860 2.981     .  0  0 "[    .    1    .    2]" 1 
       387 1 67 ILE HA  1 67 ILE MD   . . 3.810 3.832 3.825 3.840 0.030  2  0 "[    .    1    .    2]" 1 
       388 1 67 ILE HA  1 67 ILE HG12 . . 4.070 2.527 2.496 2.570     .  0  0 "[    .    1    .    2]" 1 
       389 1 67 ILE HA  1 67 ILE QG   . . 3.520 2.310 2.294 2.327     .  0  0 "[    .    1    .    2]" 1 
       390 1 67 ILE HA  1 67 ILE HG13 . . 4.070 2.675 2.653 2.708     .  0  0 "[    .    1    .    2]" 1 
       391 1 67 ILE HA  1 67 ILE MG   . . 3.330 2.602 2.530 2.628     .  0  0 "[    .    1    .    2]" 1 
       392 1 67 ILE HA  1 70 GLU H    . . 4.320 4.127 4.045 4.257     .  0  0 "[    .    1    .    2]" 1 
       393 1 67 ILE HA  1 70 GLU QB   . . 3.530 3.219 2.908 3.461     .  0  0 "[    .    1    .    2]" 1 
       394 1 67 ILE HB  1 67 ILE MD   . . 3.360 2.361 2.327 2.385     .  0  0 "[    .    1    .    2]" 1 
       395 1 67 ILE HB  1 68 PHE H    . . 3.720 2.604 2.547 2.660     .  0  0 "[    .    1    .    2]" 1 
       396 1 67 ILE MD  1 85 MET HA   . . 3.860 3.078 2.585 3.506     .  0  0 "[    .    1    .    2]" 1 
       397 1 67 ILE MD  1 90 ILE HA   . . 3.610 3.306 3.057 3.540     .  0  0 "[    .    1    .    2]" 1 
       398 1 67 ILE MD  1 90 ILE QG   . . 3.850 2.790 2.558 3.889 0.039  2  0 "[    .    1    .    2]" 1 
       399 1 67 ILE MD  1 93 ARG HD2  . . 4.370 2.951 2.358 3.810     .  0  0 "[    .    1    .    2]" 1 
       400 1 67 ILE MD  1 93 ARG HD3  . . 4.370 3.472 2.332 4.385 0.015 18  0 "[    .    1    .    2]" 1 
       401 1 67 ILE MD  1 94 TYR QD   . . 4.270 3.831 3.477 4.124     .  0  0 "[    .    1    .    2]" 1 
       402 1 67 ILE MD  1 94 TYR QE   . . 4.780 2.692 2.397 2.951     .  0  0 "[    .    1    .    2]" 1 
       403 1 67 ILE QG  1 67 ILE MG   . . 3.300 2.320 2.301 2.336     .  0  0 "[    .    1    .    2]" 1 
       404 1 67 ILE QG  1 90 ILE MD   . . 4.000 3.934 3.760 4.007 0.007  4  0 "[    .    1    .    2]" 1 
       405 1 67 ILE MG  1 68 PHE H    . . 3.870 3.006 2.965 3.066     .  0  0 "[    .    1    .    2]" 1 
       406 1 67 ILE MG  1 83 LEU MD2  . . 3.260 2.102 2.079 2.130     .  0  0 "[    .    1    .    2]" 1 
       407 1 67 ILE MG  1 83 LEU HG   . . 4.390 4.499 4.478 4.522 0.132 20  0 "[    .    1    .    2]" 1 
       408 1 67 ILE MG  1 84 ASP H    . . 4.000 3.134 3.026 3.254     .  0  0 "[    .    1    .    2]" 1 
       409 1 67 ILE MG  1 85 MET HA   . . 3.720 3.427 3.172 3.637     .  0  0 "[    .    1    .    2]" 1 
       410 1 67 ILE MG  1 85 MET HG2  . . 3.830 2.534 2.383 2.806     .  0  0 "[    .    1    .    2]" 1 
       411 1 67 ILE MG  1 85 MET HG3  . . 3.830 3.118 2.943 3.867 0.037 11  0 "[    .    1    .    2]" 1 
       412 1 68 PHE H   1 68 PHE HB2  . . 3.450 2.341 2.317 2.362     .  0  0 "[    .    1    .    2]" 1 
       413 1 68 PHE H   1 68 PHE HB3  . . 3.450 2.660 2.601 2.685     .  0  0 "[    .    1    .    2]" 1 
       414 1 68 PHE H   1 68 PHE QD   . . 4.650 4.136 4.118 4.159     .  0  0 "[    .    1    .    2]" 1 
       415 1 68 PHE H   1 69 ASN H    . . 3.530 2.933 2.889 2.997     .  0  0 "[    .    1    .    2]" 1 
       416 1 68 PHE H   1 83 LEU MD2  . . 4.180 4.217 4.203 4.239 0.059 19  0 "[    .    1    .    2]" 1 
       417 1 68 PHE HA  1 68 PHE QD   . . 3.840 2.216 2.151 2.369     .  0  0 "[    .    1    .    2]" 1 
       418 1 68 PHE HA  1 71 TRP H    . . 4.280 3.855 3.779 3.954     .  0  0 "[    .    1    .    2]" 1 
       419 1 68 PHE HA  1 71 TRP HB2  . . 4.530 4.220 4.082 4.317     .  0  0 "[    .    1    .    2]" 1 
       420 1 68 PHE HA  1 71 TRP HB3  . . 4.530 2.854 2.734 2.927     .  0  0 "[    .    1    .    2]" 1 
       421 1 68 PHE HA  1 71 TRP HE3  . . 4.250 2.946 2.864 3.030     .  0  0 "[    .    1    .    2]" 1 
       422 1 68 PHE HA  1 83 LEU MD2  . . 3.250 2.536 2.409 2.592     .  0  0 "[    .    1    .    2]" 1 
       423 1 68 PHE QB  1 69 ASN H    . . 3.270 2.494 2.436 2.542     .  0  0 "[    .    1    .    2]" 1 
       424 1 68 PHE HB2 1 69 ASN H    . . 3.830 3.809 3.750 3.847 0.017 16  0 "[    .    1    .    2]" 1 
       425 1 68 PHE HB2 1 85 MET ME   . . 3.660 2.145 2.085 2.297     .  0  0 "[    .    1    .    2]" 1 
       426 1 68 PHE HB3 1 69 ASN H    . . 3.830 2.528 2.468 2.580     .  0  0 "[    .    1    .    2]" 1 
       427 1 68 PHE HB3 1 85 MET ME   . . 3.660 3.570 3.511 3.711 0.051 11  0 "[    .    1    .    2]" 1 
       428 1 68 PHE QD  1 69 ASN H    . . 4.270 4.022 3.871 4.073     .  0  0 "[    .    1    .    2]" 1 
       429 1 68 PHE QD  1 69 ASN HA   . . 4.360 4.300 3.947 4.366 0.006  6  0 "[    .    1    .    2]" 1 
       430 1 68 PHE QD  1 71 TRP HE3  . . 4.030 2.900 2.816 3.142     .  0  0 "[    .    1    .    2]" 1 
       431 1 68 PHE QD  1 83 LEU HG   . . 3.520 3.517 3.439 3.550 0.030  3  0 "[    .    1    .    2]" 1 
       432 1 68 PHE HD1 1 85 MET ME   . . 3.760 2.058 2.011 2.109     .  0  0 "[    .    1    .    2]" 1 
       433 1 68 PHE QE  1 71 TRP HE3  . . 3.620 3.656 3.620 3.682 0.062  2  0 "[    .    1    .    2]" 1 
       434 1 68 PHE QE  1 83 LEU HG   . . 3.890 3.966 3.940 3.982 0.092 17  0 "[    .    1    .    2]" 1 
       435 1 68 PHE HE1 1 71 TRP HE3  . . 4.060 3.685 3.643 3.729     .  0  0 "[    .    1    .    2]" 1 
       436 1 68 PHE HE1 1 85 MET ME   . . 3.860 3.382 3.175 3.601     .  0  0 "[    .    1    .    2]" 1 
       437 1 69 ASN H   1 69 ASN HB2  . . 3.680 2.497 2.362 2.583     .  0  0 "[    .    1    .    2]" 1 
       438 1 69 ASN H   1 69 ASN QB   . . 3.140 2.246 2.196 2.351     .  0  0 "[    .    1    .    2]" 1 
       439 1 69 ASN H   1 69 ASN HB3  . . 3.680 2.652 2.416 3.568     .  0  0 "[    .    1    .    2]" 1 
       440 1 69 ASN H   1 70 GLU H    . . 3.450 2.784 2.709 2.830     .  0  0 "[    .    1    .    2]" 1 
       441 1 69 ASN HA  1 72 GLU H    . . 3.940 3.428 2.991 3.571     .  0  0 "[    .    1    .    2]" 1 
       442 1 69 ASN HA  1 72 GLU HB2  . . 4.310 2.459 2.164 2.709     .  0  0 "[    .    1    .    2]" 1 
       443 1 69 ASN HA  1 72 GLU QB   . . 3.760 2.437 2.152 2.671     .  0  0 "[    .    1    .    2]" 1 
       444 1 69 ASN HA  1 72 GLU HB3  . . 4.310 4.015 3.795 4.249     .  0  0 "[    .    1    .    2]" 1 
       445 1 69 ASN QB  1 70 GLU H    . . 3.530 2.630 2.507 2.876     .  0  0 "[    .    1    .    2]" 1 
       446 1 69 ASN HB2 1 70 GLU H    . . 4.110 3.778 2.576 4.059     .  0  0 "[    .    1    .    2]" 1 
       447 1 69 ASN HB3 1 70 GLU H    . . 4.110 2.802 2.559 3.506     .  0  0 "[    .    1    .    2]" 1 
       448 1 70 GLU H   1 70 GLU HB2  . . 3.720 2.487 2.383 2.685     .  0  0 "[    .    1    .    2]" 1 
       449 1 70 GLU H   1 70 GLU HB3  . . 3.720 3.022 2.450 3.641     .  0  0 "[    .    1    .    2]" 1 
       450 1 70 GLU H   1 70 GLU QG   . . 4.090 3.350 2.433 4.001     .  0  0 "[    .    1    .    2]" 1 
       451 1 70 GLU HA  1 73 GLU H    . . 4.340 3.665 3.427 3.945     .  0  0 "[    .    1    .    2]" 1 
       452 1 70 GLU QB  1 71 TRP H    . . 3.450 2.546 2.287 2.757     .  0  0 "[    .    1    .    2]" 1 
       453 1 70 GLU HB2 1 71 TRP H    . . 4.110 3.353 2.598 4.111 0.001 15  0 "[    .    1    .    2]" 1 
       454 1 70 GLU HB3 1 71 TRP H    . . 4.110 2.957 2.307 3.648     .  0  0 "[    .    1    .    2]" 1 
       455 1 71 TRP H   1 71 TRP HB2  . . 3.380 2.630 2.573 2.674     .  0  0 "[    .    1    .    2]" 1 
       456 1 71 TRP H   1 71 TRP HB3  . . 3.380 2.355 2.321 2.381     .  0  0 "[    .    1    .    2]" 1 
       457 1 71 TRP H   1 71 TRP HD1  . . 5.280 5.092 5.010 5.152     .  0  0 "[    .    1    .    2]" 1 
       458 1 71 TRP H   1 71 TRP HE3  . . 4.580 4.451 4.397 4.525     .  0  0 "[    .    1    .    2]" 1 
       459 1 71 TRP H   1 72 GLU H    . . 3.500 2.921 2.869 2.979     .  0  0 "[    .    1    .    2]" 1 
       460 1 71 TRP H   1 83 LEU MD2  . . 4.110 4.187 4.157 4.211 0.101 18  0 "[    .    1    .    2]" 1 
       461 1 71 TRP HA  1 71 TRP HD1  . . 3.550 3.029 2.949 3.087     .  0  0 "[    .    1    .    2]" 1 
       462 1 71 TRP HA  1 71 TRP HE1  . . 5.310 5.207 5.169 5.246     .  0  0 "[    .    1    .    2]" 1 
       463 1 71 TRP HA  1 74 ARG H    . . 3.910 3.759 3.625 3.888     .  0  0 "[    .    1    .    2]" 1 
       464 1 71 TRP HA  1 81 LEU QD   . . 3.930 2.548 2.245 3.505     .  0  0 "[    .    1    .    2]" 1 
       465 1 71 TRP QB  1 71 TRP HD1  . . 3.420 2.746 2.723 2.774     .  0  0 "[    .    1    .    2]" 1 
       466 1 71 TRP QB  1 71 TRP HE1  . . 4.570 4.454 4.437 4.466     .  0  0 "[    .    1    .    2]" 1 
       467 1 71 TRP QB  1 71 TRP HE3  . . 3.420 2.424 2.407 2.442     .  0  0 "[    .    1    .    2]" 1 
       468 1 71 TRP QB  1 72 GLU H    . . 3.390 2.631 2.588 2.671     .  0  0 "[    .    1    .    2]" 1 
       469 1 71 TRP QB  1 83 LEU MD2  . . 3.070 2.283 2.261 2.308     .  0  0 "[    .    1    .    2]" 1 
       470 1 71 TRP HB2 1 71 TRP HE3  . . 4.000 4.006 3.995 4.026 0.026  2  0 "[    .    1    .    2]" 1 
       471 1 71 TRP HB2 1 72 GLU H    . . 4.010 4.048 4.010 4.068 0.058 19  0 "[    .    1    .    2]" 1 
       472 1 71 TRP HB2 1 83 LEU MD2  . . 3.520 2.586 2.535 2.653     .  0  0 "[    .    1    .    2]" 1 
       473 1 71 TRP HB3 1 71 TRP HE3  . . 4.000 2.444 2.427 2.464     .  0  0 "[    .    1    .    2]" 1 
       474 1 71 TRP HB3 1 72 GLU H    . . 4.010 2.665 2.620 2.709     .  0  0 "[    .    1    .    2]" 1 
       475 1 71 TRP HB3 1 83 LEU MD2  . . 3.520 2.542 2.508 2.606     .  0  0 "[    .    1    .    2]" 1 
       476 1 71 TRP HD1 1 81 LEU HB2  . . 4.270 4.319 4.018 4.413 0.143 20  0 "[    .    1    .    2]" 1 
       477 1 71 TRP HD1 1 81 LEU QB   . . 3.560 2.927 2.511 3.080     .  0  0 "[    .    1    .    2]" 1 
       478 1 71 TRP HD1 1 81 LEU HB3  . . 4.270 2.978 2.536 3.143     .  0  0 "[    .    1    .    2]" 1 
       479 1 71 TRP HD1 1 81 LEU MD1  . . 3.870 3.598 2.081 3.897 0.027  4  0 "[    .    1    .    2]" 1 
       480 1 71 TRP HD1 1 81 LEU QD   . . 3.130 2.237 2.075 2.292     .  0  0 "[    .    1    .    2]" 1 
       481 1 71 TRP HD1 1 81 LEU MD2  . . 3.870 2.540 2.248 4.074 0.204 19  0 "[    .    1    .    2]" 1 
       482 1 71 TRP HD1 1 81 LEU HG   . . 3.360 2.279 2.209 2.611     .  0  0 "[    .    1    .    2]" 1 
       483 1 71 TRP HD1 1 83 LEU HA   . . 3.920 3.965 3.936 3.995 0.075 19  0 "[    .    1    .    2]" 1 
       484 1 71 TRP HD1 1 83 LEU HB2  . . 4.980 3.635 3.546 3.768     .  0  0 "[    .    1    .    2]" 1 
       485 1 71 TRP HD1 1 83 LEU MD2  . . 4.280 3.637 3.575 3.750     .  0  0 "[    .    1    .    2]" 1 
       486 1 71 TRP HE1 1 75 LYS QB   . . 4.090 3.521 3.340 3.912     .  0  0 "[    .    1    .    2]" 1 
       487 1 71 TRP HE1 1 81 LEU H    . . 5.090 4.835 4.705 5.106 0.016  2  0 "[    .    1    .    2]" 1 
       488 1 71 TRP HE1 1 81 LEU HB2  . . 4.540 4.555 4.269 4.641 0.101  6  0 "[    .    1    .    2]" 1 
       489 1 71 TRP HE1 1 81 LEU QB   . . 3.730 2.853 2.590 2.939     .  0  0 "[    .    1    .    2]" 1 
       490 1 71 TRP HE1 1 81 LEU HB3  . . 4.540 2.883 2.612 2.972     .  0  0 "[    .    1    .    2]" 1 
       491 1 71 TRP HE1 1 81 LEU QD   . . 4.330 3.655 3.494 3.756     .  0  0 "[    .    1    .    2]" 1 
       492 1 71 TRP HE1 1 82 ARG HA   . . 3.920 3.336 3.123 3.579     .  0  0 "[    .    1    .    2]" 1 
       493 1 71 TRP HE1 1 82 ARG QB   . . 4.780 4.838 4.786 4.875 0.095 18  0 "[    .    1    .    2]" 1 
       494 1 71 TRP HE1 1 83 LEU H    . . 4.220 4.051 3.863 4.170     .  0  0 "[    .    1    .    2]" 1 
       495 1 71 TRP HE1 1 83 LEU HA   . . 4.890 4.322 4.175 4.455     .  0  0 "[    .    1    .    2]" 1 
       496 1 71 TRP HE1 1 83 LEU HB2  . . 4.760 2.745 2.697 2.813     .  0  0 "[    .    1    .    2]" 1 
       497 1 71 TRP HE1 1 83 LEU HB3  . . 4.360 4.028 3.975 4.094     .  0  0 "[    .    1    .    2]" 1 
       498 1 71 TRP HE1 1 83 LEU MD2  . . 4.830 4.199 4.090 4.339     .  0  0 "[    .    1    .    2]" 1 
       499 1 71 TRP HE1 1 83 LEU HG   . . 4.440 4.644 4.619 4.680 0.240  4  0 "[    .    1    .    2]" 1 
       500 1 71 TRP HE3 1 72 GLU H    . . 3.850 2.908 2.810 2.992     .  0  0 "[    .    1    .    2]" 1 
       501 1 71 TRP HE3 1 72 GLU HA   . . 3.970 3.627 3.502 3.777     .  0  0 "[    .    1    .    2]" 1 
       502 1 71 TRP HE3 1 72 GLU HB2  . . 5.010 4.290 3.879 4.469     .  0  0 "[    .    1    .    2]" 1 
       503 1 71 TRP HE3 1 72 GLU HB3  . . 5.010 5.055 5.021 5.091 0.081 14  0 "[    .    1    .    2]" 1 
       504 1 71 TRP HE3 1 72 GLU HG2  . . 4.310 2.740 2.254 3.616     .  0  0 "[    .    1    .    2]" 1 
       505 1 71 TRP HE3 1 72 GLU QG   . . 3.550 2.361 2.241 2.531     .  0  0 "[    .    1    .    2]" 1 
       506 1 71 TRP HE3 1 72 GLU HG3  . . 4.310 3.424 2.437 4.095     .  0  0 "[    .    1    .    2]" 1 
       507 1 71 TRP HE3 1 83 LEU HB2  . . 5.360 4.545 4.443 4.683     .  0  0 "[    .    1    .    2]" 1 
       508 1 71 TRP HE3 1 83 LEU MD2  . . 3.860 2.877 2.845 2.954     .  0  0 "[    .    1    .    2]" 1 
       509 1 71 TRP HE3 1 83 LEU HG   . . 3.940 3.528 3.417 3.714     .  0  0 "[    .    1    .    2]" 1 
       510 1 71 TRP HH2 1 83 LEU HB2  . . 5.210 4.490 4.364 4.587     .  0  0 "[    .    1    .    2]" 1 
       511 1 71 TRP HZ2 1 83 LEU H    . . 5.300 4.959 4.781 5.124     .  0  0 "[    .    1    .    2]" 1 
       512 1 71 TRP HZ2 1 83 LEU HG   . . 3.760 3.859 3.823 3.877 0.117 12  0 "[    .    1    .    2]" 1 
       513 1 71 TRP HZ3 1 83 LEU MD2  . . 3.700 3.878 3.869 3.892 0.192  3  0 "[    .    1    .    2]" 1 
       514 1 71 TRP HZ3 1 83 LEU HG   . . 3.520 3.429 3.341 3.539 0.019 14  0 "[    .    1    .    2]" 1 
       515 1 72 GLU H   1 72 GLU HB2  . . 3.500 2.306 2.207 2.419     .  0  0 "[    .    1    .    2]" 1 
       516 1 72 GLU H   1 72 GLU QB   . . 2.960 2.278 2.185 2.383     .  0  0 "[    .    1    .    2]" 1 
       517 1 72 GLU H   1 72 GLU HB3  . . 3.500 3.549 3.496 3.588 0.088 20  0 "[    .    1    .    2]" 1 
       518 1 72 GLU H   1 72 GLU QG   . . 3.670 2.658 2.547 3.052     .  0  0 "[    .    1    .    2]" 1 
       519 1 72 GLU H   1 73 GLU H    . . 3.510 3.042 2.998 3.102     .  0  0 "[    .    1    .    2]" 1 
       520 1 72 GLU HA  1 72 GLU HG2  . . 4.120 2.535 2.341 2.741     .  0  0 "[    .    1    .    2]" 1 
       521 1 72 GLU HA  1 72 GLU HG3  . . 4.120 3.433 2.965 3.703     .  0  0 "[    .    1    .    2]" 1 
       522 1 72 GLU HA  1 75 LYS H    . . 4.360 3.945 3.674 4.088     .  0  0 "[    .    1    .    2]" 1 
       523 1 72 GLU HB2 1 73 GLU H    . . 3.810 2.764 2.597 3.176     .  0  0 "[    .    1    .    2]" 1 
       524 1 72 GLU HB3 1 73 GLU H    . . 3.810 3.277 2.993 3.401     .  0  0 "[    .    1    .    2]" 1 
       525 1 73 GLU H   1 73 GLU QB   . . 3.040 2.382 2.135 2.507     .  0  0 "[    .    1    .    2]" 1 
       526 1 73 GLU H   1 73 GLU QG   . . 3.650 2.593 2.283 3.855 0.205 10  0 "[    .    1    .    2]" 1 
       527 1 73 GLU H   1 74 ARG H    . . 3.220 2.747 2.666 2.826     .  0  0 "[    .    1    .    2]" 1 
       528 1 73 GLU HA  1 76 LYS H    . . 4.720 3.404 3.209 3.563     .  0  0 "[    .    1    .    2]" 1 
       529 1 73 GLU QB  1 74 ARG H    . . 3.490 2.471 2.348 2.650     .  0  0 "[    .    1    .    2]" 1 
       530 1 73 GLU QG  1 74 ARG H    . . 4.100 4.043 3.512 4.148 0.048  1  0 "[    .    1    .    2]" 1 
       531 1 74 ARG H   1 74 ARG HB2  . . 3.770 2.499 2.442 2.579     .  0  0 "[    .    1    .    2]" 1 
       532 1 74 ARG H   1 74 ARG QB   . . 3.290 2.458 2.405 2.530     .  0  0 "[    .    1    .    2]" 1 
       533 1 74 ARG H   1 74 ARG HB3  . . 3.770 3.635 3.610 3.674     .  0  0 "[    .    1    .    2]" 1 
       534 1 74 ARG H   1 74 ARG QG   . . 3.260 2.216 2.100 2.337     .  0  0 "[    .    1    .    2]" 1 
       535 1 74 ARG HA  1 74 ARG QG   . . 3.640 2.796 2.192 2.898     .  0  0 "[    .    1    .    2]" 1 
       536 1 74 ARG QB  1 75 LYS H    . . 3.860 2.384 2.237 2.713     .  0  0 "[    .    1    .    2]" 1 
       537 1 74 ARG QB  1 81 LEU QD   . . 3.490 1.984 1.915 2.184     .  0  0 "[    .    1    .    2]" 1 
       538 1 74 ARG HB2 1 75 LYS H    . . 4.600 2.431 2.277 2.790     .  0  0 "[    .    1    .    2]" 1 
       539 1 74 ARG HB3 1 75 LYS H    . . 4.600 3.453 3.269 3.702     .  0  0 "[    .    1    .    2]" 1 
       540 1 74 ARG QG  1 75 LYS H    . . 3.740 3.951 3.909 4.031 0.291 12  0 "[    .    1    .    2]" 1 
       541 1 75 LYS H   1 75 LYS HB2  . . 4.100 2.498 2.430 2.575     .  0  0 "[    .    1    .    2]" 1 
       542 1 75 LYS H   1 75 LYS HB3  . . 4.100 2.583 2.451 2.708     .  0  0 "[    .    1    .    2]" 1 
       543 1 75 LYS H   1 76 LYS H    . . 3.570 2.867 2.776 2.931     .  0  0 "[    .    1    .    2]" 1 
       544 1 75 LYS HA  1 78 GLU QG   . . 4.080 4.220 4.182 4.306 0.226 19  0 "[    .    1    .    2]" 1 
       545 1 75 LYS HA  1 79 PRO HA   . . 4.180 3.720 3.518 4.159     .  0  0 "[    .    1    .    2]" 1 
       546 1 75 LYS HA  1 81 LEU H    . . 4.550 3.588 3.506 3.667     .  0  0 "[    .    1    .    2]" 1 
       547 1 76 LYS H   1 76 LYS QB   . . 3.290 2.281 2.204 2.391     .  0  0 "[    .    1    .    2]" 1 
       548 1 76 LYS H   1 76 LYS QG   . . 3.940 3.429 2.464 4.017 0.077  5  0 "[    .    1    .    2]" 1 
       549 1 76 LYS H   1 77 SER H    . . 3.680 2.773 2.724 2.813     .  0  0 "[    .    1    .    2]" 1 
       550 1 76 LYS H   1 78 GLU H    . . 4.500 3.886 3.826 3.980     .  0  0 "[    .    1    .    2]" 1 
       551 1 76 LYS QB  1 77 SER H    . . 4.050 2.800 2.666 3.051     .  0  0 "[    .    1    .    2]" 1 
       552 1 77 SER H   1 77 SER QB   . . 3.610 2.449 2.294 2.869     .  0  0 "[    .    1    .    2]" 1 
       553 1 77 SER H   1 78 GLU H    . . 3.220 2.593 2.500 2.648     .  0  0 "[    .    1    .    2]" 1 
       554 1 77 SER QB  1 78 GLU H    . . 4.140 3.050 2.759 3.865     .  0  0 "[    .    1    .    2]" 1 
       555 1 78 GLU H   1 78 GLU HB2  . . 4.080 2.659 2.587 2.734     .  0  0 "[    .    1    .    2]" 1 
       556 1 78 GLU H   1 78 GLU QB   . . 3.480 2.608 2.541 2.677     .  0  0 "[    .    1    .    2]" 1 
       557 1 78 GLU H   1 78 GLU HB3  . . 4.080 3.767 3.717 3.814     .  0  0 "[    .    1    .    2]" 1 
       558 1 78 GLU H   1 78 GLU HG2  . . 4.640 3.856 3.679 3.981     .  0  0 "[    .    1    .    2]" 1 
       559 1 78 GLU H   1 78 GLU QG   . . 3.780 2.810 2.674 2.905     .  0  0 "[    .    1    .    2]" 1 
       560 1 78 GLU H   1 78 GLU HG3  . . 4.640 2.887 2.746 2.989     .  0  0 "[    .    1    .    2]" 1 
       561 1 78 GLU H   1 79 PRO HD2  . . 4.730 4.246 4.130 4.377     .  0  0 "[    .    1    .    2]" 1 
       562 1 78 GLU H   1 79 PRO QD   . . 4.100 3.422 3.267 3.619     .  0  0 "[    .    1    .    2]" 1 
       563 1 78 GLU H   1 79 PRO HD3  . . 4.730 3.610 3.424 3.859     .  0  0 "[    .    1    .    2]" 1 
       564 1 78 GLU HA  1 78 GLU HG2  . . 4.130 2.566 2.498 2.616     .  0  0 "[    .    1    .    2]" 1 
       565 1 78 GLU HA  1 78 GLU HG3  . . 4.130 3.251 3.150 3.309     .  0  0 "[    .    1    .    2]" 1 
       566 1 78 GLU HA  1 79 PRO HD2  . . 3.560 2.181 2.116 2.231     .  0  0 "[    .    1    .    2]" 1 
       567 1 78 GLU HA  1 79 PRO QD   . . 3.070 2.133 2.071 2.180     .  0  0 "[    .    1    .    2]" 1 
       568 1 78 GLU HA  1 79 PRO HD3  . . 3.560 3.018 2.941 3.090     .  0  0 "[    .    1    .    2]" 1 
       569 1 78 GLU HA  1 80 TRP H    . . 4.350 3.693 3.563 3.800     .  0  0 "[    .    1    .    2]" 1 
       570 1 78 GLU HA  1 80 TRP HE3  . . 5.220 4.224 4.121 4.431     .  0  0 "[    .    1    .    2]" 1 
       571 1 78 GLU HA  1 80 TRP HH2  . . 4.850 3.325 3.230 3.510     .  0  0 "[    .    1    .    2]" 1 
       572 1 78 GLU HA  1 80 TRP HZ2  . . 4.740 3.666 3.534 3.817     .  0  0 "[    .    1    .    2]" 1 
       573 1 78 GLU HA  1 80 TRP HZ3  . . 4.760 3.642 3.526 3.936     .  0  0 "[    .    1    .    2]" 1 
       574 1 78 GLU QB  1 80 TRP H    . . 4.530 3.461 3.220 3.673     .  0  0 "[    .    1    .    2]" 1 
       575 1 78 GLU QB  1 80 TRP HD1  . . 4.140 4.097 3.816 4.150 0.010  1  0 "[    .    1    .    2]" 1 
       576 1 78 GLU QB  1 80 TRP HZ2  . . 4.650 3.115 3.006 3.331     .  0  0 "[    .    1    .    2]" 1 
       577 1 78 GLU QG  1 80 TRP HZ2  . . 3.890 2.790 2.602 2.966     .  0  0 "[    .    1    .    2]" 1 
       578 1 78 GLU HG2 1 80 TRP HZ2  . . 4.610 2.818 2.622 3.003     .  0  0 "[    .    1    .    2]" 1 
       579 1 78 GLU HG3 1 80 TRP HZ2  . . 4.610 4.486 4.348 4.608     .  0  0 "[    .    1    .    2]" 1 
       580 1 79 PRO HA  1 81 LEU H    . . 4.380 3.767 3.685 3.968     .  0  0 "[    .    1    .    2]" 1 
       581 1 79 PRO QD  1 80 TRP H    . . 3.890 3.364 3.204 3.542     .  0  0 "[    .    1    .    2]" 1 
       582 1 79 PRO QD  1 80 TRP HE3  . . 4.430 3.172 3.118 3.283     .  0  0 "[    .    1    .    2]" 1 
       583 1 79 PRO QD  1 80 TRP HZ3  . . 4.140 2.583 2.520 2.695     .  0  0 "[    .    1    .    2]" 1 
       584 1 79 PRO HD2 1 80 TRP H    . . 4.660 3.508 3.317 3.725     .  0  0 "[    .    1    .    2]" 1 
       585 1 79 PRO HD3 1 80 TRP H    . . 4.660 4.325 4.233 4.429     .  0  0 "[    .    1    .    2]" 1 
       586 1 79 PRO QG  1 80 TRP H    . . 3.820 3.313 2.918 3.654     .  0  0 "[    .    1    .    2]" 1 
       587 1 80 TRP H   1 80 TRP QB   . . 3.440 2.724 2.570 2.875     .  0  0 "[    .    1    .    2]" 1 
       588 1 80 TRP H   1 81 LEU H    . . 3.200 2.573 2.325 2.921     .  0  0 "[    .    1    .    2]" 1 
       589 1 80 TRP H   1 81 LEU QB   . . 4.610 4.080 3.797 4.430     .  0  0 "[    .    1    .    2]" 1 
       590 1 80 TRP HA  1 80 TRP HD1  . . 4.470 4.457 4.443 4.467     .  0  0 "[    .    1    .    2]" 1 
       591 1 80 TRP HA  1 80 TRP HE3  . . 4.600 4.310 4.272 4.335     .  0  0 "[    .    1    .    2]" 1 
       592 1 80 TRP QB  1 80 TRP HD1  . . 3.580 2.659 2.643 2.679     .  0  0 "[    .    1    .    2]" 1 
       593 1 80 TRP QB  1 80 TRP HE3  . . 3.700 2.585 2.557 2.598     .  0  0 "[    .    1    .    2]" 1 
       594 1 80 TRP QB  1 81 LEU H    . . 4.470 3.890 3.816 3.944     .  0  0 "[    .    1    .    2]" 1 
       595 1 80 TRP HD1 1 81 LEU HA   . . 3.540 3.175 2.829 3.546 0.006  2  0 "[    .    1    .    2]" 1 
       596 1 80 TRP HD1 1 81 LEU QD   . . 3.830 3.624 3.321 3.932 0.102 12  0 "[    .    1    .    2]" 1 
       597 1 81 LEU H   1 81 LEU HB2  . . 3.690 2.157 1.982 2.240     .  0  0 "[    .    1    .    2]" 1 
       598 1 81 LEU H   1 81 LEU QB   . . 3.040 2.074 1.959 2.136     .  0  0 "[    .    1    .    2]" 1 
       599 1 81 LEU H   1 81 LEU HB3  . . 3.690 2.739 2.625 3.121     .  0  0 "[    .    1    .    2]" 1 
       600 1 81 LEU H   1 81 LEU QD   . . 3.810 3.474 3.146 3.576     .  0  0 "[    .    1    .    2]" 1 
       601 1 81 LEU H   1 81 LEU HG   . . 4.300 4.458 4.414 4.477 0.177 20  0 "[    .    1    .    2]" 1 
       602 1 81 LEU H   1 82 ARG H    . . 4.700 4.629 4.606 4.683     .  0  0 "[    .    1    .    2]" 1 
       603 1 81 LEU HA  1 81 LEU MD1  . . 3.850 2.124 2.101 2.186     .  0  0 "[    .    1    .    2]" 1 
       604 1 81 LEU HA  1 81 LEU QD   . . 3.060 2.097 2.036 2.123     .  0  0 "[    .    1    .    2]" 1 
       605 1 81 LEU HA  1 81 LEU MD2  . . 3.850 3.644 2.426 3.854 0.004 12  0 "[    .    1    .    2]" 1 
       606 1 81 LEU HA  1 82 ARG H    . . 3.060 2.188 2.154 2.262     .  0  0 "[    .    1    .    2]" 1 
       607 1 81 LEU QB  1 82 ARG H    . . 3.970 3.646 3.444 3.731     .  0  0 "[    .    1    .    2]" 1 
       608 1 81 LEU HB2 1 82 ARG H    . . 4.760 4.311 4.243 4.479     .  0  0 "[    .    1    .    2]" 1 
       609 1 81 LEU HB3 1 82 ARG H    . . 4.760 3.942 3.595 4.072     .  0  0 "[    .    1    .    2]" 1 
       610 1 81 LEU QD  1 82 ARG H    . . 3.760 2.540 2.091 2.797     .  0  0 "[    .    1    .    2]" 1 
       611 1 82 ARG H   1 82 ARG QB   . . 3.220 2.443 2.151 2.681     .  0  0 "[    .    1    .    2]" 1 
       612 1 82 ARG H   1 82 ARG QG   . . 3.960 2.686 2.063 3.992 0.032 12  0 "[    .    1    .    2]" 1 
       613 1 82 ARG HA  1 83 LEU H    . . 3.070 2.278 2.179 2.326     .  0  0 "[    .    1    .    2]" 1 
       614 1 82 ARG QB  1 83 LEU H    . . 3.680 2.677 2.421 3.583     .  0  0 "[    .    1    .    2]" 1 
       615 1 82 ARG QG  1 83 LEU H    . . 4.760 3.831 2.253 4.444     .  0  0 "[    .    1    .    2]" 1 
       616 1 83 LEU H   1 83 LEU HB2  . . 3.680 3.011 2.909 3.063     .  0  0 "[    .    1    .    2]" 1 
       617 1 83 LEU H   1 83 LEU HB3  . . 3.400 2.586 2.529 2.641     .  0  0 "[    .    1    .    2]" 1 
       618 1 83 LEU H   1 83 LEU MD2  . . 4.390 4.423 4.399 4.443 0.053  3  0 "[    .    1    .    2]" 1 
       619 1 83 LEU H   1 84 ASP H    . . 5.200 4.328 4.256 4.415     .  0  0 "[    .    1    .    2]" 1 
       620 1 83 LEU HA  1 83 LEU MD1  . . 3.770 3.308 3.248 3.353     .  0  0 "[    .    1    .    2]" 1 
       621 1 83 LEU HA  1 83 LEU MD2  . . 3.100 2.316 2.276 2.361     .  0  0 "[    .    1    .    2]" 1 
       622 1 83 LEU HA  1 84 ASP H    . . 3.250 2.224 2.187 2.250     .  0  0 "[    .    1    .    2]" 1 
       623 1 83 LEU HB2 1 83 LEU MD2  . . 3.370 2.435 2.409 2.476     .  0  0 "[    .    1    .    2]" 1 
       624 1 83 LEU HB2 1 84 ASP H    . . 4.880 4.340 4.283 4.371     .  0  0 "[    .    1    .    2]" 1 
       625 1 83 LEU MD1 1 84 ASP QB   . . 4.390 4.272 4.212 4.335     .  0  0 "[    .    1    .    2]" 1 
       626 1 83 LEU MD1 1 85 MET ME   . . 3.340 1.974 1.940 1.991     .  0  0 "[    .    1    .    2]" 1 
       627 1 83 LEU MD2 1 84 ASP H    . . 3.600 2.631 2.530 2.688     .  0  0 "[    .    1    .    2]" 1 
       628 1 83 LEU MD2 1 85 MET ME   . . 3.340 2.059 2.015 2.150     .  0  0 "[    .    1    .    2]" 1 
       629 1 83 LEU MD2 1 85 MET HG2  . . 4.390 3.592 2.763 3.748     .  0  0 "[    .    1    .    2]" 1 
       630 1 83 LEU MD2 1 85 MET QG   . . 3.850 2.887 2.726 2.973     .  0  0 "[    .    1    .    2]" 1 
       631 1 83 LEU MD2 1 85 MET HG3  . . 4.390 3.098 2.899 4.165     .  0  0 "[    .    1    .    2]" 1 
       632 1 83 LEU HG  1 85 MET ME   . . 2.920 3.119 3.087 3.138 0.218  2  0 "[    .    1    .    2]" 1 
       633 1 84 ASP H   1 84 ASP HB2  . . 4.090 3.292 3.174 3.975     .  0  0 "[    .    1    .    2]" 1 
       634 1 84 ASP H   1 84 ASP HB3  . . 4.090 2.930 2.820 3.427     .  0  0 "[    .    1    .    2]" 1 
       635 1 84 ASP HA  1 85 MET H    . . 3.230 2.170 2.105 2.211     .  0  0 "[    .    1    .    2]" 1 
       636 1 85 MET H   1 85 MET HG2  . . 4.460 4.065 2.772 4.196     .  0  0 "[    .    1    .    2]" 1 
       637 1 85 MET H   1 85 MET QG   . . 3.850 2.994 2.495 3.128     .  0  0 "[    .    1    .    2]" 1 
       638 1 85 MET H   1 85 MET HG3  . . 4.460 3.091 2.833 3.228     .  0  0 "[    .    1    .    2]" 1 
       639 1 85 MET H   1 86 SER H    . . 3.410 2.215 2.113 2.378     .  0  0 "[    .    1    .    2]" 1 
       640 1 86 SER H   1 89 ALA MB   . . 3.690 3.271 2.948 3.586     .  0  0 "[    .    1    .    2]" 1 
       641 1 87 ASP H   1 87 ASP HB2  . . 4.160 2.572 2.035 3.586     .  0  0 "[    .    1    .    2]" 1 
       642 1 87 ASP H   1 87 ASP QB   . . 3.540 2.414 2.009 2.540     .  0  0 "[    .    1    .    2]" 1 
       643 1 87 ASP H   1 87 ASP HB3  . . 4.160 3.426 2.429 3.603     .  0  0 "[    .    1    .    2]" 1 
       644 1 87 ASP H   1 88 LYS H    . . 3.980 2.967 2.791 3.083     .  0  0 "[    .    1    .    2]" 1 
       645 1 87 ASP HA  1 90 ILE H    . . 4.040 3.288 2.982 3.539     .  0  0 "[    .    1    .    2]" 1 
       646 1 87 ASP HA  1 90 ILE HB   . . 3.920 2.832 2.459 3.236     .  0  0 "[    .    1    .    2]" 1 
       647 1 87 ASP HA  1 90 ILE MD   . . 3.460 2.981 2.407 3.617 0.157  2  0 "[    .    1    .    2]" 1 
       648 1 87 ASP QB  1 88 LYS H    . . 3.580 2.876 2.574 3.457     .  0  0 "[    .    1    .    2]" 1 
       649 1 87 ASP QB  1 91 PHE QE   . . 3.740 2.965 2.800 3.109     .  0  0 "[    .    1    .    2]" 1 
       650 1 87 ASP HB2 1 88 LYS H    . . 4.160 3.057 2.633 3.770     .  0  0 "[    .    1    .    2]" 1 
       651 1 87 ASP HB2 1 91 PHE QE   . . 4.390 3.746 3.059 4.438 0.048 10  0 "[    .    1    .    2]" 1 
       652 1 87 ASP HB3 1 88 LYS H    . . 4.160 3.718 3.031 4.019     .  0  0 "[    .    1    .    2]" 1 
       653 1 87 ASP HB3 1 91 PHE QE   . . 4.390 3.221 2.884 4.412 0.022  5  0 "[    .    1    .    2]" 1 
       654 1 88 LYS H   1 88 LYS HB2  . . 3.580 2.426 2.297 2.579     .  0  0 "[    .    1    .    2]" 1 
       655 1 88 LYS H   1 88 LYS QB   . . 3.040 2.378 2.174 2.526     .  0  0 "[    .    1    .    2]" 1 
       656 1 88 LYS H   1 88 LYS HB3  . . 3.580 3.503 2.575 3.611 0.031 13  0 "[    .    1    .    2]" 1 
       657 1 88 LYS H   1 89 ALA H    . . 3.600 2.845 2.779 3.003     .  0  0 "[    .    1    .    2]" 1 
       658 1 88 LYS HA  1 91 PHE H    . . 4.060 3.415 3.266 3.566     .  0  0 "[    .    1    .    2]" 1 
       659 1 88 LYS HA  1 91 PHE HB2  . . 4.770 2.685 2.518 2.930     .  0  0 "[    .    1    .    2]" 1 
       660 1 88 LYS HA  1 91 PHE QB   . . 4.180 2.657 2.495 2.892     .  0  0 "[    .    1    .    2]" 1 
       661 1 88 LYS HA  1 91 PHE HB3  . . 4.770 4.233 4.070 4.473     .  0  0 "[    .    1    .    2]" 1 
       662 1 88 LYS HA  1 91 PHE QD   . . 3.790 2.335 2.209 2.529     .  0  0 "[    .    1    .    2]" 1 
       663 1 88 LYS QB  1 89 ALA H    . . 3.380 2.819 2.643 2.984     .  0  0 "[    .    1    .    2]" 1 
       664 1 88 LYS HB2 1 89 ALA H    . . 3.890 3.037 2.802 3.933 0.043  6  0 "[    .    1    .    2]" 1 
       665 1 88 LYS HB3 1 89 ALA H    . . 3.890 3.645 2.688 3.865     .  0  0 "[    .    1    .    2]" 1 
       666 1 89 ALA H   1 89 ALA MB   . . 3.050 2.241 2.227 2.255     .  0  0 "[    .    1    .    2]" 1 
       667 1 89 ALA H   1 90 ILE H    . . 3.380 2.621 2.592 2.668     .  0  0 "[    .    1    .    2]" 1 
       668 1 89 ALA H   1 90 ILE MD   . . 4.750 3.613 3.461 4.019     .  0  0 "[    .    1    .    2]" 1 
       669 1 89 ALA HA  1 90 ILE MD   . . 4.120 4.256 4.227 4.291 0.171  2  0 "[    .    1    .    2]" 1 
       670 1 89 ALA HA  1 92 ARG H    . . 3.970 3.741 3.623 3.816     .  0  0 "[    .    1    .    2]" 1 
       671 1 89 ALA HA  1 92 ARG HB2  . . 4.160 4.079 3.857 4.175 0.015 20  0 "[    .    1    .    2]" 1 
       672 1 89 ALA HA  1 92 ARG QB   . . 3.580 2.949 2.772 3.093     .  0  0 "[    .    1    .    2]" 1 
       673 1 89 ALA HA  1 92 ARG HB3  . . 4.160 3.027 2.826 3.188     .  0  0 "[    .    1    .    2]" 1 
       674 1 89 ALA MB  1 90 ILE H    . . 3.510 2.660 2.574 2.747     .  0  0 "[    .    1    .    2]" 1 
       675 1 89 ALA MB  1 90 ILE MD   . . 4.090 2.269 2.209 2.316     .  0  0 "[    .    1    .    2]" 1 
       676 1 90 ILE H   1 90 ILE HB   . . 3.360 2.367 2.271 2.818     .  0  0 "[    .    1    .    2]" 1 
       677 1 90 ILE H   1 90 ILE MD   . . 3.820 2.226 2.121 2.618     .  0  0 "[    .    1    .    2]" 1 
       678 1 90 ILE H   1 90 ILE QG   . . 3.500 3.315 2.023 3.489     .  0  0 "[    .    1    .    2]" 1 
       679 1 90 ILE H   1 90 ILE MG   . . 4.050 3.751 3.717 3.796     .  0  0 "[    .    1    .    2]" 1 
       680 1 90 ILE H   1 91 PHE H    . . 3.520 2.645 2.558 2.716     .  0  0 "[    .    1    .    2]" 1 
       681 1 90 ILE HA  1 90 ILE MD   . . 3.910 2.690 2.428 2.835     .  0  0 "[    .    1    .    2]" 1 
       682 1 90 ILE HA  1 90 ILE MG   . . 3.500 2.550 2.263 2.624     .  0  0 "[    .    1    .    2]" 1 
       683 1 90 ILE HA  1 93 ARG H    . . 4.700 3.652 3.564 3.738     .  0  0 "[    .    1    .    2]" 1 
       684 1 90 ILE HA  1 93 ARG QB   . . 4.200 2.967 2.763 3.093     .  0  0 "[    .    1    .    2]" 1 
       685 1 90 ILE HB  1 90 ILE MD   . . 3.410 2.587 2.467 3.298     .  0  0 "[    .    1    .    2]" 1 
       686 1 90 ILE HB  1 91 PHE H    . . 3.520 2.715 2.607 2.767     .  0  0 "[    .    1    .    2]" 1 
       687 1 90 ILE QG  1 91 PHE H    . . 4.490 4.467 3.626 4.566 0.076 16  0 "[    .    1    .    2]" 1 
       688 1 90 ILE MG  1 91 PHE QD   . . 4.020 3.154 2.963 4.027 0.007  2  0 "[    .    1    .    2]" 1 
       689 1 90 ILE MG  1 94 TYR QB   . . 3.740 2.824 2.655 2.987     .  0  0 "[    .    1    .    2]" 1 
       690 1 90 ILE MG  1 94 TYR QD   . . 3.830 2.475 2.343 2.699     .  0  0 "[    .    1    .    2]" 1 
       691 1 90 ILE MG  1 97 LEU HB2  . . 4.690 3.555 3.347 4.091     .  0  0 "[    .    1    .    2]" 1 
       692 1 90 ILE MG  1 97 LEU QB   . . 4.100 2.489 2.223 3.025     .  0  0 "[    .    1    .    2]" 1 
       693 1 90 ILE MG  1 97 LEU HB3  . . 4.690 2.544 2.254 3.116     .  0  0 "[    .    1    .    2]" 1 
       694 1 90 ILE MG  1 97 LEU HG   . . 3.130 2.707 2.337 3.129     .  0  0 "[    .    1    .    2]" 1 
       695 1 91 PHE H   1 91 PHE HB2  . . 3.810 2.694 2.645 2.742     .  0  0 "[    .    1    .    2]" 1 
       696 1 91 PHE H   1 91 PHE QB   . . 3.290 2.625 2.584 2.666     .  0  0 "[    .    1    .    2]" 1 
       697 1 91 PHE H   1 91 PHE HB3  . . 3.810 3.631 3.604 3.647     .  0  0 "[    .    1    .    2]" 1 
       698 1 91 PHE H   1 92 ARG H    . . 3.470 2.928 2.833 2.964     .  0  0 "[    .    1    .    2]" 1 
       699 1 91 PHE HA  1 91 PHE QD   . . 3.160 2.331 2.270 2.398     .  0  0 "[    .    1    .    2]" 1 
       700 1 91 PHE HA  1 94 TYR H    . . 4.290 3.969 3.764 4.149     .  0  0 "[    .    1    .    2]" 1 
       701 1 91 PHE HB2 1 92 ARG H    . . 4.030 2.376 2.351 2.429     .  0  0 "[    .    1    .    2]" 1 
       702 1 91 PHE HB3 1 92 ARG H    . . 4.030 3.568 3.504 3.677     .  0  0 "[    .    1    .    2]" 1 
       703 1 91 PHE QD  1 92 ARG QB   . . 4.720 4.809 4.796 4.823 0.103  5  0 "[    .    1    .    2]" 1 
       704 1 91 PHE QD  1 97 LEU QB   . . 4.330 3.983 3.356 4.336 0.006 17  0 "[    .    1    .    2]" 1 
       705 1 92 ARG H   1 92 ARG HB2  . . 3.720 2.242 2.216 2.305     .  0  0 "[    .    1    .    2]" 1 
       706 1 92 ARG H   1 92 ARG HB3  . . 3.720 2.525 2.461 2.563     .  0  0 "[    .    1    .    2]" 1 
       707 1 92 ARG H   1 92 ARG QG   . . 3.760 3.865 3.852 3.889 0.129 11  0 "[    .    1    .    2]" 1 
       708 1 92 ARG H   1 93 ARG H    . . 3.320 2.754 2.709 2.803     .  0  0 "[    .    1    .    2]" 1 
       709 1 92 ARG QB  1 93 ARG H    . . 3.460 2.748 2.674 2.914     .  0  0 "[    .    1    .    2]" 1 
       710 1 92 ARG HB2 1 93 ARG H    . . 4.220 3.922 3.863 4.052     .  0  0 "[    .    1    .    2]" 1 
       711 1 92 ARG HB3 1 93 ARG H    . . 4.220 2.807 2.724 2.988     .  0  0 "[    .    1    .    2]" 1 
       712 1 93 ARG H   1 93 ARG HB2  . . 3.960 2.437 2.342 2.551     .  0  0 "[    .    1    .    2]" 1 
       713 1 93 ARG H   1 93 ARG QB   . . 3.260 2.303 2.237 2.377     .  0  0 "[    .    1    .    2]" 1 
       714 1 93 ARG H   1 93 ARG HB3  . . 3.960 3.134 2.495 3.639     .  0  0 "[    .    1    .    2]" 1 
       715 1 93 ARG H   1 93 ARG QG   . . 4.250 3.218 2.498 4.014     .  0  0 "[    .    1    .    2]" 1 
       716 1 93 ARG H   1 94 TYR H    . . 3.190 2.565 2.457 2.628     .  0  0 "[    .    1    .    2]" 1 
       717 1 93 ARG QB  1 94 TYR H    . . 3.740 2.686 2.587 2.783     .  0  0 "[    .    1    .    2]" 1 
       718 1 93 ARG HB2 1 94 TYR H    . . 4.490 3.282 2.672 3.993     .  0  0 "[    .    1    .    2]" 1 
       719 1 93 ARG HB3 1 94 TYR H    . . 4.490 3.214 2.688 3.753     .  0  0 "[    .    1    .    2]" 1 
       720 1 94 TYR H   1 94 TYR QB   . . 3.640 2.606 2.572 2.660     .  0  0 "[    .    1    .    2]" 1 
       721 1 94 TYR HA  1 94 TYR QD   . . 4.500 2.428 2.342 2.518     .  0  0 "[    .    1    .    2]" 1 
       722 1 94 TYR HA  1 95 PRO HD2  . . 3.820 2.164 2.135 2.213     .  0  0 "[    .    1    .    2]" 1 
       723 1 94 TYR HA  1 95 PRO QD   . . 3.290 2.107 2.074 2.167     .  0  0 "[    .    1    .    2]" 1 
       724 1 94 TYR HA  1 95 PRO HD3  . . 3.820 2.910 2.726 3.091     .  0  0 "[    .    1    .    2]" 1 
       725 1 94 TYR HA  1 96 HIS HE1  . . 4.450 4.058 3.895 4.218     .  0  0 "[    .    1    .    2]" 1 
       726 1 94 TYR QB  1 96 HIS HE1  . . 3.850 2.198 2.104 2.296     .  0  0 "[    .    1    .    2]" 1 
       727 1 94 TYR QB  1 97 LEU H    . . 4.700 3.141 3.070 3.227     .  0  0 "[    .    1    .    2]" 1 
       728 1 94 TYR QB  1 97 LEU MD1  . . 4.460 4.254 3.995 4.409     .  0  0 "[    .    1    .    2]" 1 
       729 1 94 TYR QB  1 97 LEU QD   . . 3.660 3.246 3.077 3.379     .  0  0 "[    .    1    .    2]" 1 
       730 1 94 TYR QB  1 97 LEU MD2  . . 4.460 3.375 3.155 3.539     .  0  0 "[    .    1    .    2]" 1 
       731 1 94 TYR QB  1 97 LEU HG   . . 3.420 3.268 3.075 3.437 0.017 14  0 "[    .    1    .    2]" 1 
       732 1 94 TYR QD  1 96 HIS HE1  . . 3.940 3.368 3.072 3.701     .  0  0 "[    .    1    .    2]" 1 
       733 1 94 TYR QD  1 97 LEU MD1  . . 5.200 5.092 4.884 5.218 0.018  8  0 "[    .    1    .    2]" 1 
       734 1 94 TYR QD  1 97 LEU QD   . . 3.800 4.294 4.044 4.404 0.604  7 12 "[**  * + *1** *.-* **]" 1 
       735 1 94 TYR QD  1 97 LEU MD2  . . 5.200 4.641 4.287 4.877     .  0  0 "[    .    1    .    2]" 1 
       736 1 94 TYR QD  1 97 LEU HG   . . 4.120 4.107 3.756 4.163 0.043 11  0 "[    .    1    .    2]" 1 
       737 1 95 PRO QB  1 96 HIS H    . . 3.700 3.628 3.559 3.731 0.031 12  0 "[    .    1    .    2]" 1 
       738 1 96 HIS H   1 96 HIS HB2  . . 3.690 3.582 3.563 3.617     .  0  0 "[    .    1    .    2]" 1 
       739 1 96 HIS H   1 96 HIS QB   . . 3.120 2.417 2.364 2.541     .  0  0 "[    .    1    .    2]" 1 
       740 1 96 HIS H   1 96 HIS HB3  . . 3.690 2.457 2.399 2.596     .  0  0 "[    .    1    .    2]" 1 
       741 1 96 HIS H   1 97 LEU H    . . 3.410 2.511 2.391 2.549     .  0  0 "[    .    1    .    2]" 1 
       742 1 96 HIS QB  1 96 HIS HD2  . . 3.300 2.485 2.468 2.503     .  0  0 "[    .    1    .    2]" 1 
       743 1 96 HIS HB2 1 96 HIS HD2  . . 3.890 2.531 2.518 2.546     .  0  0 "[    .    1    .    2]" 1 
       744 1 96 HIS HB3 1 96 HIS HD2  . . 3.890 3.617 3.519 3.704     .  0  0 "[    .    1    .    2]" 1 
       745 1 96 HIS HD2 1 97 LEU QD   . . 3.400 3.486 3.366 3.679 0.279  6  0 "[    .    1    .    2]" 1 
       746 1 96 HIS HE1 1 97 LEU MD1  . . 5.300 5.112 4.935 5.292     .  0  0 "[    .    1    .    2]" 1 
       747 1 96 HIS HE1 1 97 LEU QD   . . 4.270 2.627 2.310 3.015     .  0  0 "[    .    1    .    2]" 1 
       748 1 96 HIS HE1 1 97 LEU MD2  . . 5.300 2.636 2.315 3.034     .  0  0 "[    .    1    .    2]" 1 
       749 1 96 HIS HE1 1 97 LEU HG   . . 4.010 4.057 4.029 4.097 0.087 18  0 "[    .    1    .    2]" 1 
       750 1 97 LEU H   1 97 LEU HB2  . . 3.940 2.058 2.022 2.131     .  0  0 "[    .    1    .    2]" 1 
       751 1 97 LEU H   1 97 LEU QB   . . 3.310 2.004 1.977 2.034     .  0  0 "[    .    1    .    2]" 1 
       752 1 97 LEU H   1 97 LEU HB3  . . 3.940 2.792 2.552 2.979     .  0  0 "[    .    1    .    2]" 1 
       753 1 97 LEU H   1 97 LEU MD1  . . 4.180 4.230 4.193 4.260 0.080 20  0 "[    .    1    .    2]" 1 
       754 1 97 LEU H   1 97 LEU QD   . . 3.450 3.414 3.289 3.546 0.096 19  0 "[    .    1    .    2]" 1 
       755 1 97 LEU H   1 97 LEU MD2  . . 4.180 3.607 3.429 3.822     .  0  0 "[    .    1    .    2]" 1 
       756 1 97 LEU H   1 97 LEU HG   . . 4.260 4.355 4.331 4.390 0.130  8  0 "[    .    1    .    2]" 1 
       757 1 97 LEU H   1 98 ARG H    . . 3.250 2.613 2.482 2.767     .  0  0 "[    .    1    .    2]" 1 
       758 1 97 LEU HA  1 97 LEU QD   . . 2.940 2.006 1.925 2.085     .  0  0 "[    .    1    .    2]" 1 
       759 1 97 LEU QB  1 98 ARG H    . . 4.430 3.026 2.289 3.562     .  0  0 "[    .    1    .    2]" 1 
    stop_

save_



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