NMR Restraints Grid

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

image mrblock_id pdb_id cing in_recoord in_dress stage program type subtype subsubtype
469364 1afi cing recoord dress 4-filtered-FRED Wattos check violation distance


data_1afi


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              753
    _Distance_constraint_stats_list.Viol_count                    1694
    _Distance_constraint_stats_list.Viol_total                    3077.963
    _Distance_constraint_stats_list.Viol_max                      0.440
    _Distance_constraint_stats_list.Viol_rms                      0.0369
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0102
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0908
    _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 ALA  0.318 0.096 10 0 "[    .    1    .    2]" 
       1  2 THR 11.284 0.440 18 0 "[    .    1    .    2]" 
       1  3 GLN  7.899 0.440 18 0 "[    .    1    .    2]" 
       1  4 THR  0.280 0.062  3 0 "[    .    1    .    2]" 
       1  5 VAL 10.666 0.286  2 0 "[    .    1    .    2]" 
       1  6 THR  8.088 0.278  2 0 "[    .    1    .    2]" 
       1  7 LEU  7.254 0.262 19 0 "[    .    1    .    2]" 
       1  8 ALA  0.296 0.034  2 0 "[    .    1    .    2]" 
       1  9 VAL  2.776 0.143  9 0 "[    .    1    .    2]" 
       1 11 GLY  2.510 0.220 19 0 "[    .    1    .    2]" 
       1 12 MET  3.076 0.198 17 0 "[    .    1    .    2]" 
       1 13 THR  2.408 0.140  7 0 "[    .    1    .    2]" 
       1 14 CYS  1.925 0.157 19 0 "[    .    1    .    2]" 
       1 15 ALA  0.540 0.142 14 0 "[    .    1    .    2]" 
       1 16 ALA  1.839 0.198 17 0 "[    .    1    .    2]" 
       1 17 CYS  4.740 0.220 19 0 "[    .    1    .    2]" 
       1 19 ILE  0.103 0.038  6 0 "[    .    1    .    2]" 
       1 20 THR  6.659 0.196  9 0 "[    .    1    .    2]" 
       1 21 VAL  4.101 0.196  9 0 "[    .    1    .    2]" 
       1 22 LYS  1.886 0.133  1 0 "[    .    1    .    2]" 
       1 23 LYS  2.819 0.181 18 0 "[    .    1    .    2]" 
       1 24 ALA 10.873 0.397 15 0 "[    .    1    .    2]" 
       1 25 LEU  9.460 0.397 15 0 "[    .    1    .    2]" 
       1 26 SER  6.709 0.224  9 0 "[    .    1    .    2]" 
       1 27 LYS  4.385 0.224  9 0 "[    .    1    .    2]" 
       1 28 VAL  3.132 0.189 14 0 "[    .    1    .    2]" 
       1 29 GLU  2.544 0.189 14 0 "[    .    1    .    2]" 
       1 30 GLY  0.726 0.094 15 0 "[    .    1    .    2]" 
       1 31 VAL  7.817 0.328 15 0 "[    .    1    .    2]" 
       1 32 SER  6.363 0.162 11 0 "[    .    1    .    2]" 
       1 33 LYS 10.491 0.328 15 0 "[    .    1    .    2]" 
       1 34 VAL  1.464 0.121  5 0 "[    .    1    .    2]" 
       1 35 ASP  1.186 0.121  5 0 "[    .    1    .    2]" 
       1 36 VAL  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 37 GLY  0.599 0.088 14 0 "[    .    1    .    2]" 
       1 38 PHE  1.940 0.149 11 0 "[    .    1    .    2]" 
       1 39 GLU  0.025 0.020  6 0 "[    .    1    .    2]" 
       1 40 LYS  1.702 0.137 10 0 "[    .    1    .    2]" 
       1 41 ARG  0.020 0.020  6 0 "[    .    1    .    2]" 
       1 42 GLU  2.380 0.137 10 0 "[    .    1    .    2]" 
       1 43 ALA  4.445 0.262 19 0 "[    .    1    .    2]" 
       1 44 VAL  1.490 0.122 12 0 "[    .    1    .    2]" 
       1 45 VAL  3.699 0.181 11 0 "[    .    1    .    2]" 
       1 46 THR  3.023 0.155  4 0 "[    .    1    .    2]" 
       1 47 PHE 11.254 0.258 13 0 "[    .    1    .    2]" 
       1 48 ASP  2.076 0.185  5 0 "[    .    1    .    2]" 
       1 49 ASP  2.492 0.144 10 0 "[    .    1    .    2]" 
       1 50 THR  1.547 0.122 20 0 "[    .    1    .    2]" 
       1 51 LYS  1.539 0.246 17 0 "[    .    1    .    2]" 
       1 52 ALA  2.634 0.246 17 0 "[    .    1    .    2]" 
       1 53 SER  1.316 0.101 17 0 "[    .    1    .    2]" 
       1 54 VAL  1.549 0.195 16 0 "[    .    1    .    2]" 
       1 55 GLN  0.870 0.148 18 0 "[    .    1    .    2]" 
       1 56 LYS  1.763 0.111 16 0 "[    .    1    .    2]" 
       1 57 LEU  1.469 0.099 17 0 "[    .    1    .    2]" 
       1 58 THR  0.648 0.081  5 0 "[    .    1    .    2]" 
       1 59 LYS  6.828 0.202  2 0 "[    .    1    .    2]" 
       1 60 ALA  5.149 0.183  6 0 "[    .    1    .    2]" 
       1 61 THR  7.324 0.185 15 0 "[    .    1    .    2]" 
       1 62 ALA  6.801 0.185 15 0 "[    .    1    .    2]" 
       1 63 ASP  2.378 0.119 13 0 "[    .    1    .    2]" 
       1 64 ALA  1.446 0.114  3 0 "[    .    1    .    2]" 
       1 65 GLY  2.267 0.114  3 0 "[    .    1    .    2]" 
       1 66 TYR  6.999 0.147  9 0 "[    .    1    .    2]" 
       1 68 SER  1.864 0.143  9 0 "[    .    1    .    2]" 
       1 69 SER  6.053 0.226 11 0 "[    .    1    .    2]" 
       1 70 VAL 11.237 0.226 11 0 "[    .    1    .    2]" 
       1 71 LYS 12.541 0.324  1 0 "[    .    1    .    2]" 
       1 72 GLN  7.846 0.324  1 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  2 THR HA  1 48 ASP HA  2.580 . 2.700 2.296 1.830 2.711 0.070 18 0 "[    .    1    .    2]" 1 
         2 1  1 ALA HA  1  2 THR H   2.240 . 2.700 2.563 2.198 2.796 0.096 10 0 "[    .    1    .    2]" 1 
         3 1  1 ALA MB  1  2 THR H   2.780 . 4.300 2.950 1.969 3.725     .  0 0 "[    .    1    .    2]" 1 
         4 1  2 THR H   1  2 THR HA  2.820 . 3.300 2.915 2.742 2.947     .  0 0 "[    .    1    .    2]" 1 
         5 1  2 THR H   1  2 THR HB  2.880 . 3.300 3.465 2.560 3.633 0.333 16 0 "[    .    1    .    2]" 1 
         6 1  2 THR H   1  2 THR MG  2.770 . 4.300 3.127 2.010 3.678     .  0 0 "[    .    1    .    2]" 1 
         7 1  2 THR H   1  3 GLN QG  3.990 . 6.000 3.567 2.478 4.874     .  0 0 "[    .    1    .    2]" 1 
         8 1  2 THR H   1  3 GLN H   2.980 . 3.300 3.484 3.432 3.740 0.440 18 0 "[    .    1    .    2]" 1 
         9 1  2 THR HA  1  3 GLN H   2.310 . 2.700 2.331 2.140 2.976 0.276 18 0 "[    .    1    .    2]" 1 
        10 1  2 THR HB  1  3 GLN H   2.720 . 5.000 4.160 3.297 4.447     .  0 0 "[    .    1    .    2]" 1 
        11 1  3 GLN H   1  3 GLN QB  2.630 . 3.700 2.333 2.126 3.119     .  0 0 "[    .    1    .    2]" 1 
        12 1  3 GLN H   1  3 GLN QG  3.090 . 4.300 3.190 2.077 3.912     .  0 0 "[    .    1    .    2]" 1 
        13 1  3 GLN H   1 46 THR HA  3.490 . 5.000 4.921 4.160 5.078 0.078 11 0 "[    .    1    .    2]" 1 
        14 1  3 GLN H   1 46 THR MG  3.400 . 6.000 4.229 2.920 4.617     .  0 0 "[    .    1    .    2]" 1 
        15 1  3 GLN H   1 47 PHE HA  4.350 . 5.000 5.164 4.814 5.258 0.258 13 0 "[    .    1    .    2]" 1 
        16 1  3 GLN H   1 47 PHE HD1 4.240 . 5.000 3.949 3.583 5.048 0.048 18 0 "[    .    1    .    2]" 1 
        17 1  3 GLN H   1 47 PHE H   2.880 . 3.300 3.168 2.590 3.298     .  0 0 "[    .    1    .    2]" 1 
        18 1  3 GLN H   1 49 ASP QB  4.430 . 6.000 3.887 3.573 5.388     .  0 0 "[    .    1    .    2]" 1 
        19 1  3 GLN H   1 49 ASP H   3.800 . 5.000 3.555 3.141 4.903     .  0 0 "[    .    1    .    2]" 1 
        20 1  4 THR HA  1 46 THR HA  2.180 . 2.700 2.117 1.891 2.712 0.012 18 0 "[    .    1    .    2]" 1 
        21 1  3 GLN HA  1  4 THR H   2.420 . 2.700 2.372 2.242 2.613     .  0 0 "[    .    1    .    2]" 1 
        22 1  3 GLN QB  1  4 THR H   3.090 . 4.300 2.681 2.080 3.083     .  0 0 "[    .    1    .    2]" 1 
        23 1  3 GLN QG  1  4 THR H   3.420 . 6.000 3.536 2.361 4.346     .  0 0 "[    .    1    .    2]" 1 
        24 1  3 GLN H   1  4 THR H   3.760 . 5.000 4.552 4.328 4.601     .  0 0 "[    .    1    .    2]" 1 
        25 1  4 THR H   1  4 THR HB  2.890 . 3.300 2.916 2.500 3.312 0.012  6 0 "[    .    1    .    2]" 1 
        26 1  4 THR H   1  4 THR MG  3.340 . 6.000 2.879 1.838 3.947 0.062  3 0 "[    .    1    .    2]" 1 
        27 1  4 THR H   1  5 VAL H   3.940 . 5.000 4.286 3.948 4.561     .  0 0 "[    .    1    .    2]" 1 
        28 1  4 THR HA  1  5 VAL H   2.210 . 2.700 2.238 2.197 2.348     .  0 0 "[    .    1    .    2]" 1 
        29 1  4 THR HB  1  5 VAL H   3.270 . 5.000 4.226 3.795 4.431     .  0 0 "[    .    1    .    2]" 1 
        30 1  5 VAL H   1  5 VAL HA  2.840 . 3.300 3.001 2.971 3.021     .  0 0 "[    .    1    .    2]" 1 
        31 1  5 VAL H   1  5 VAL HB  3.140 . 3.300 3.161 2.651 3.581 0.281 14 0 "[    .    1    .    2]" 1 
        32 1  5 VAL H   1  5 VAL QG  2.360 . 5.100 2.185 1.772 2.747 0.128 14 0 "[    .    1    .    2]" 1 
        33 1  5 VAL H   1  6 THR HA  4.200 . 5.000 4.781 4.585 4.919     .  0 0 "[    .    1    .    2]" 1 
        34 1  5 VAL H   1  6 THR H   3.840 . 5.000 4.436 4.373 4.500     .  0 0 "[    .    1    .    2]" 1 
        35 1  5 VAL H   1 44 VAL QG  3.340 . 7.400 3.805 3.412 4.238     .  0 0 "[    .    1    .    2]" 1 
        36 1  5 VAL H   1 45 VAL HB  3.330 . 5.000 4.608 3.464 5.138 0.138 16 0 "[    .    1    .    2]" 1 
        37 1  5 VAL H   1 45 VAL H   2.890 . 3.300 3.220 2.808 3.350 0.050  6 0 "[    .    1    .    2]" 1 
        38 1  5 VAL H   1 47 PHE HD2 3.770 . 5.000 4.221 3.702 4.741     .  0 0 "[    .    1    .    2]" 1 
        39 1  5 VAL H   1 47 PHE HE2 3.430 . 5.000 3.633 2.940 4.262     .  0 0 "[    .    1    .    2]" 1 
        40 1  5 VAL H   1 57 LEU MD1 4.510 . 6.000 3.633 3.079 4.272     .  0 0 "[    .    1    .    2]" 1 
        41 1  6 THR HA  1 44 VAL HA  2.210 . 2.700 1.973 1.840 2.248 0.060 12 0 "[    .    1    .    2]" 1 
        42 1  5 VAL HA  1  6 THR H   2.200 . 2.700 2.407 2.338 2.463     .  0 0 "[    .    1    .    2]" 1 
        43 1  5 VAL HB  1  6 THR H   2.700 . 3.300 3.239 2.494 3.578 0.278  2 0 "[    .    1    .    2]" 1 
        44 1  6 THR H   1  6 THR HB  2.580 . 3.300 3.367 3.044 3.500 0.200 18 0 "[    .    1    .    2]" 1 
        45 1  6 THR H   1  6 THR MG  2.480 . 3.700 2.776 1.775 3.147 0.125 12 0 "[    .    1    .    2]" 1 
        46 1  6 THR H   1  7 LEU QD  4.170 . 7.400 3.598 3.483 3.724     .  0 0 "[    .    1    .    2]" 1 
        47 1  6 THR H   1  7 LEU H   3.760 . 5.000 4.517 4.474 4.540     .  0 0 "[    .    1    .    2]" 1 
        48 1  6 THR H   1 44 VAL QG  4.010 . 7.400 4.229 3.661 4.706     .  0 0 "[    .    1    .    2]" 1 
        49 1  6 THR H   1 45 VAL H   4.330 . 5.000 5.045 5.015 5.091 0.091 10 0 "[    .    1    .    2]" 1 
        50 1  6 THR H   1 71 LYS QB  4.190 . 6.000 3.457 2.984 4.963     .  0 0 "[    .    1    .    2]" 1 
        51 1  6 THR H   1 71 LYS H   3.740 . 5.000 3.195 3.102 3.331     .  0 0 "[    .    1    .    2]" 1 
        52 1  7 LEU MD1 1 57 LEU MD1 2.920 . 5.300 2.867 2.655 3.191     .  0 0 "[    .    1    .    2]" 1 
        53 1  7 LEU MD2 1 57 LEU MD1 2.660 . 4.700 2.975 2.800 3.127     .  0 0 "[    .    1    .    2]" 1 
        54 1  7 LEU HA  1 70 VAL HA  2.300 . 2.700 2.024 1.946 2.176     .  0 0 "[    .    1    .    2]" 1 
        55 1  6 THR HA  1  7 LEU H   2.420 . 2.700 2.443 2.358 2.538     .  0 0 "[    .    1    .    2]" 1 
        56 1  6 THR HB  1  7 LEU H   3.680 . 5.000 3.046 2.647 3.849     .  0 0 "[    .    1    .    2]" 1 
        57 1  6 THR MG  1  7 LEU H   2.690 . 4.300 3.543 3.417 3.747     .  0 0 "[    .    1    .    2]" 1 
        58 1  7 LEU H   1  7 LEU QB  2.900 . 4.300 2.370 2.281 2.456     .  0 0 "[    .    1    .    2]" 1 
        59 1  7 LEU H   1  7 LEU MD1 3.560 . 6.000 3.196 3.095 3.291     .  0 0 "[    .    1    .    2]" 1 
        60 1  7 LEU H   1  7 LEU MD2 3.400 . 6.000 4.212 3.992 4.338     .  0 0 "[    .    1    .    2]" 1 
        61 1  7 LEU H   1  7 LEU HG  3.390 . 5.000 4.681 4.631 4.718     .  0 0 "[    .    1    .    2]" 1 
        62 1  7 LEU H   1  9 VAL QG  3.620 . 7.400 4.887 4.836 4.941     .  0 0 "[    .    1    .    2]" 1 
        63 1  7 LEU H   1 42 GLU HA  4.080 . 5.000 4.073 3.813 4.293     .  0 0 "[    .    1    .    2]" 1 
        64 1  7 LEU H   1 42 GLU QG  4.740 . 6.000 4.213 1.869 5.019 0.031 16 0 "[    .    1    .    2]" 1 
        65 1  7 LEU H   1 43 ALA H   3.160 . 3.300 2.434 1.859 2.884 0.041 19 0 "[    .    1    .    2]" 1 
        66 1  7 LEU H   1 44 VAL HA  3.290 . 5.000 3.430 3.025 3.830     .  0 0 "[    .    1    .    2]" 1 
        67 1  7 LEU H   1 44 VAL HB  4.200 . 5.000 4.782 4.204 5.122 0.122 12 0 "[    .    1    .    2]" 1 
        68 1  7 LEU HA  1  8 ALA H   2.270 . 2.700 2.322 2.300 2.358     .  0 0 "[    .    1    .    2]" 1 
        69 1  7 LEU QB  1  8 ALA H   3.310 . 6.000 2.938 2.813 3.043     .  0 0 "[    .    1    .    2]" 1 
        70 1  7 LEU MD1 1  8 ALA H   3.100 . 4.300 3.557 3.515 3.595     .  0 0 "[    .    1    .    2]" 1 
        71 1  7 LEU HG  1  8 ALA H   3.100 . 3.300 3.148 3.015 3.282     .  0 0 "[    .    1    .    2]" 1 
        72 1  7 LEU H   1  8 ALA H   3.820 . 5.000 4.454 4.434 4.482     .  0 0 "[    .    1    .    2]" 1 
        73 1  8 ALA H   1  8 ALA MB  2.410 . 3.700 2.223 2.127 2.336     .  0 0 "[    .    1    .    2]" 1 
        74 1  8 ALA H   1 68 SER HA  3.780 . 5.000 4.527 4.429 4.611     .  0 0 "[    .    1    .    2]" 1 
        75 1  8 ALA H   1 68 SER QB  3.520 . 6.000 3.614 3.042 4.095     .  0 0 "[    .    1    .    2]" 1 
        76 1  8 ALA H   1 69 SER H   2.960 . 3.300 2.274 2.152 2.347     .  0 0 "[    .    1    .    2]" 1 
        77 1  8 ALA H   1 70 VAL HA  3.120 . 3.300 3.188 3.109 3.270     .  0 0 "[    .    1    .    2]" 1 
        78 1  8 ALA H   1 70 VAL HB  4.330 . 5.000 4.933 4.841 5.019 0.019 16 0 "[    .    1    .    2]" 1 
        79 1  8 ALA H   1 70 VAL QG  3.460 . 7.400 4.456 4.403 4.508     .  0 0 "[    .    1    .    2]" 1 
        80 1  8 ALA H   1 71 LYS QD  3.460 . 6.000 4.936 4.361 5.414     .  0 0 "[    .    1    .    2]" 1 
        81 1  8 ALA H   1 71 LYS H   3.430 . 5.000 4.994 4.743 5.034 0.034  2 0 "[    .    1    .    2]" 1 
        82 1  8 ALA HA  1  9 VAL H   2.220 . 2.700 2.253 2.212 2.297     .  0 0 "[    .    1    .    2]" 1 
        83 1  8 ALA MB  1  9 VAL H   2.800 . 4.300 3.523 3.385 3.619     .  0 0 "[    .    1    .    2]" 1 
        84 1  8 ALA H   1  9 VAL H   3.780 . 5.000 4.200 4.039 4.359     .  0 0 "[    .    1    .    2]" 1 
        85 1  9 VAL H   1  9 VAL HB  2.790 . 3.300 3.119 2.669 3.290     .  0 0 "[    .    1    .    2]" 1 
        86 1  9 VAL H   1  9 VAL QG  2.720 . 4.700 1.851 1.798 2.001 0.102  6 0 "[    .    1    .    2]" 1 
        87 1  9 VAL H   1 41 ARG QB  3.430 . 6.000 3.675 3.360 4.696     .  0 0 "[    .    1    .    2]" 1 
        88 1  9 VAL H   1 41 ARG QG  3.730 . 6.000 4.881 3.113 5.522     .  0 0 "[    .    1    .    2]" 1 
        89 1  9 VAL H   1 42 GLU HA  2.830 . 3.300 2.294 1.925 2.549     .  0 0 "[    .    1    .    2]" 1 
        90 1  9 VAL H   1 43 ALA MB  4.130 . 6.000 4.616 4.169 4.888     .  0 0 "[    .    1    .    2]" 1 
        91 1  9 VAL H   1 43 ALA H   3.730 . 5.000 3.969 3.464 4.387     .  0 0 "[    .    1    .    2]" 1 
        92 1  9 VAL QG  1 11 GLY H   3.270 . 5.300 2.081 1.796 2.448 0.104 16 0 "[    .    1    .    2]" 1 
        93 1 11 GLY H   1 12 MET QG  4.820 . 6.000 4.311 3.462 5.435     .  0 0 "[    .    1    .    2]" 1 
        94 1 11 GLY H   1 12 MET H   3.300 . 3.300 2.411 2.011 2.882     .  0 0 "[    .    1    .    2]" 1 
        95 1 11 GLY H   1 17 CYS HA  3.420 . 5.000 5.078 4.680 5.220 0.220 19 0 "[    .    1    .    2]" 1 
        96 1 11 GLY H   1 17 CYS QB  3.900 . 6.000 3.575 2.612 3.998     .  0 0 "[    .    1    .    2]" 1 
        97 1 11 GLY H   1 66 TYR QB  3.970 . 6.000 3.231 2.737 3.591     .  0 0 "[    .    1    .    2]" 1 
        98 1 11 GLY H   1 66 TYR HD1 3.900 . 5.000 3.740 3.365 4.082     .  0 0 "[    .    1    .    2]" 1 
        99 1  9 VAL QG  1 12 MET H   3.280 . 5.300 3.466 3.187 3.658     .  0 0 "[    .    1    .    2]" 1 
       100 1 11 GLY QA  1 12 MET H   3.550 . 6.000 2.712 2.440 2.858     .  0 0 "[    .    1    .    2]" 1 
       101 1 12 MET H   1 12 MET QB  2.810 . 4.300 2.906 2.595 3.397     .  0 0 "[    .    1    .    2]" 1 
       102 1 12 MET H   1 12 MET QG  2.870 . 4.300 3.021 2.422 3.843     .  0 0 "[    .    1    .    2]" 1 
       103 1 12 MET H   1 13 THR MG  4.420 . 6.000 4.898 4.845 4.953     .  0 0 "[    .    1    .    2]" 1 
       104 1 12 MET H   1 13 THR H   4.510 . 5.000 3.285 2.760 4.138     .  0 0 "[    .    1    .    2]" 1 
       105 1 12 MET H   1 41 ARG QD  4.190 . 6.000 3.115 2.328 4.172     .  0 0 "[    .    1    .    2]" 1 
       106 1 12 MET H   1 66 TYR QB  4.770 . 6.000 5.124 4.807 5.251     .  0 0 "[    .    1    .    2]" 1 
       107 1 12 MET H   1 66 TYR HD1 3.970 . 5.000 4.844 4.294 5.013 0.013 11 0 "[    .    1    .    2]" 1 
       108 1 12 MET QB  1 13 THR H   3.750 . 6.000 3.540 1.784 4.062 0.116 19 0 "[    .    1    .    2]" 1 
       109 1 13 THR H   1 13 THR MG  3.480 . 6.000 2.848 2.258 3.857     .  0 0 "[    .    1    .    2]" 1 
       110 1 13 THR H   1 14 CYS H   3.190 . 3.300 2.679 2.598 2.819     .  0 0 "[    .    1    .    2]" 1 
       111 1 13 THR H   1 17 CYS QB  3.940 . 6.000 2.484 1.789 4.308 0.111 10 0 "[    .    1    .    2]" 1 
       112 1 13 THR H   1 41 ARG QD  3.910 . 6.000 5.207 4.752 5.445     .  0 0 "[    .    1    .    2]" 1 
       113 1 12 MET QB  1 14 CYS H   4.340 . 6.000 3.645 2.645 4.220     .  0 0 "[    .    1    .    2]" 1 
       114 1 12 MET H   1 14 CYS H   4.370 . 5.000 4.878 4.385 5.157 0.157 19 0 "[    .    1    .    2]" 1 
       115 1 13 THR HB  1 14 CYS H   4.460 . 5.000 4.079 3.755 4.260     .  0 0 "[    .    1    .    2]" 1 
       116 1 13 THR MG  1 14 CYS H   3.920 . 6.000 3.598 1.829 4.447 0.071 14 0 "[    .    1    .    2]" 1 
       117 1 14 CYS H   1 14 CYS QB  4.450 . 6.000 2.971 2.701 3.144     .  0 0 "[    .    1    .    2]" 1 
       118 1 14 CYS H   1 15 ALA H   4.780 . 5.000 3.323 2.451 3.827     .  0 0 "[    .    1    .    2]" 1 
       119 1 14 CYS H   1 17 CYS QB  3.870 . 6.000 3.771 3.062 5.204     .  0 0 "[    .    1    .    2]" 1 
       120 1 14 CYS H   1 17 CYS H   4.070 . 5.000 3.756 3.282 4.305     .  0 0 "[    .    1    .    2]" 1 
       121 1 12 MET HA  1 15 ALA H   4.120 . 5.000 5.008 4.783 5.142 0.142 14 0 "[    .    1    .    2]" 1 
       122 1 14 CYS HA  1 15 ALA H   3.640 . 5.000 2.391 2.181 3.514     .  0 0 "[    .    1    .    2]" 1 
       123 1 14 CYS QB  1 15 ALA H   4.050 . 6.000 3.844 2.492 4.027     .  0 0 "[    .    1    .    2]" 1 
       124 1 15 ALA H   1 15 ALA MB  3.150 . 4.300 2.790 2.535 2.890     .  0 0 "[    .    1    .    2]" 1 
       125 1 15 ALA H   1 16 ALA H   4.320 . 5.000 2.707 1.841 3.225 0.059 14 0 "[    .    1    .    2]" 1 
       126 1 12 MET HA  1 16 ALA H   4.000 . 5.000 5.054 4.691 5.198 0.198 17 0 "[    .    1    .    2]" 1 
       127 1 14 CYS HA  1 16 ALA H   4.290 . 5.000 4.202 3.878 5.021 0.021 14 0 "[    .    1    .    2]" 1 
       128 1 14 CYS QB  1 16 ALA H   4.110 . 6.000 4.586 4.095 5.079     .  0 0 "[    .    1    .    2]" 1 
       129 1 15 ALA MB  1 16 ALA H   2.950 . 4.300 3.605 3.462 3.699     .  0 0 "[    .    1    .    2]" 1 
       130 1 16 ALA H   1 16 ALA HA  2.800 . 3.300 2.974 2.869 3.009     .  0 0 "[    .    1    .    2]" 1 
       131 1 16 ALA H   1 16 ALA MB  2.390 . 3.700 2.480 2.225 2.824     .  0 0 "[    .    1    .    2]" 1 
       132 1 16 ALA H   1 17 CYS H   2.810 . 3.300 1.970 1.839 2.102 0.061 14 0 "[    .    1    .    2]" 1 
       133 1 16 ALA H   1 19 ILE H   4.760 . 5.000 4.367 3.887 4.867     .  0 0 "[    .    1    .    2]" 1 
       134 1 13 THR HB  1 17 CYS H   2.850 . 3.300 3.381 3.279 3.440 0.140  7 0 "[    .    1    .    2]" 1 
       135 1 13 THR H   1 17 CYS H   4.380 . 5.000 3.140 2.303 5.049 0.049 19 0 "[    .    1    .    2]" 1 
       136 1 14 CYS QB  1 17 CYS H   4.070 . 6.000 5.407 5.281 5.585     .  0 0 "[    .    1    .    2]" 1 
       137 1 16 ALA MB  1 17 CYS H   2.870 . 4.300 2.644 2.431 2.994     .  0 0 "[    .    1    .    2]" 1 
       138 1 17 CYS H   1 17 CYS QB  3.200 . 4.300 2.096 1.926 2.989     .  0 0 "[    .    1    .    2]" 1 
       139 1 17 CYS H   1 19 ILE H   3.970 . 5.000 4.104 3.988 4.311     .  0 0 "[    .    1    .    2]" 1 
       140 1 17 CYS H   1 66 TYR HE1 4.220 . 5.000 5.002 4.796 5.091 0.091 12 0 "[    .    1    .    2]" 1 
       141 1 19 ILE H   1 19 ILE HA  2.890 . 3.300 2.955 2.894 2.971     .  0 0 "[    .    1    .    2]" 1 
       142 1 19 ILE H   1 19 ILE HB  2.560 . 2.700 2.244 2.050 2.484     .  0 0 "[    .    1    .    2]" 1 
       143 1 19 ILE H   1 19 ILE QG  2.850 . 4.300 2.613 1.967 3.560     .  0 0 "[    .    1    .    2]" 1 
       144 1 19 ILE H   1 19 ILE MG  3.030 . 4.300 3.662 3.523 3.735     .  0 0 "[    .    1    .    2]" 1 
       145 1 19 ILE H   1 20 THR MG  3.840 . 6.000 5.130 4.959 5.223     .  0 0 "[    .    1    .    2]" 1 
       146 1 19 ILE H   1 20 THR H       . . 2.700 2.330 2.178 2.631     .  0 0 "[    .    1    .    2]" 1 
       147 1 19 ILE H   1 21 VAL H   3.760 . 5.000 3.682 3.437 4.316     .  0 0 "[    .    1    .    2]" 1 
       148 1 17 CYS HA  1 20 THR H   3.350 . 5.000 4.042 3.814 4.570     .  0 0 "[    .    1    .    2]" 1 
       149 1 19 ILE HA  1 20 THR H   3.260 . 5.000 3.527 3.467 3.571     .  0 0 "[    .    1    .    2]" 1 
       150 1 19 ILE HB  1 20 THR H   2.590 . 2.700 2.544 2.223 2.738 0.038  6 0 "[    .    1    .    2]" 1 
       151 1 19 ILE QG  1 20 THR H   3.930 . 6.000 4.087 3.663 4.425     .  0 0 "[    .    1    .    2]" 1 
       152 1 19 ILE MG  1 20 THR H   2.950 . 4.300 3.188 2.360 3.567     .  0 0 "[    .    1    .    2]" 1 
       153 1 20 THR H   1 20 THR HA  2.720 . 3.300 2.893 2.854 2.929     .  0 0 "[    .    1    .    2]" 1 
       154 1 20 THR H   1 20 THR HB  2.510 . 2.700 1.962 1.883 2.030 0.017 15 0 "[    .    1    .    2]" 1 
       155 1 20 THR H   1 20 THR MG  3.060 . 4.300 3.427 3.068 3.527     .  0 0 "[    .    1    .    2]" 1 
       156 1 20 THR H   1 21 VAL HA  4.280 . 5.000 5.150 5.110 5.196 0.196  9 0 "[    .    1    .    2]" 1 
       157 1 20 THR H   1 21 VAL HB  3.680 . 5.000 4.392 4.207 4.677     .  0 0 "[    .    1    .    2]" 1 
       158 1 20 THR H   1 21 VAL QG  3.680 . 7.400 3.982 3.614 4.213     .  0 0 "[    .    1    .    2]" 1 
       159 1 20 THR H   1 21 VAL H   2.710 . 3.300 2.479 2.421 2.533     .  0 0 "[    .    1    .    2]" 1 
       160 1 20 THR H   1 36 VAL QG  3.940 . 7.400 4.954 4.552 5.437     .  0 0 "[    .    1    .    2]" 1 
       161 1 21 VAL QG  1 25 LEU MD2 2.210 . 6.100 3.050 2.713 3.197     .  0 0 "[    .    1    .    2]" 1 
       162 1  9 VAL QG  1 21 VAL H   3.520 . 7.400 4.072 3.757 4.309     .  0 0 "[    .    1    .    2]" 1 
       163 1 19 ILE HA  1 21 VAL H   3.970 . 5.000 4.551 4.224 5.030 0.030 17 0 "[    .    1    .    2]" 1 
       164 1 20 THR HA  1 21 VAL H   3.580 . 5.000 3.554 3.520 3.580     .  0 0 "[    .    1    .    2]" 1 
       165 1 20 THR HB  1 21 VAL H   2.820 . 3.300 2.735 2.572 2.918     .  0 0 "[    .    1    .    2]" 1 
       166 1 20 THR MG  1 21 VAL H   3.250 . 6.000 2.679 1.888 2.976 0.012 17 0 "[    .    1    .    2]" 1 
       167 1 21 VAL H   1 21 VAL HA  2.910 . 3.300 2.850 2.807 2.884     .  0 0 "[    .    1    .    2]" 1 
       168 1 21 VAL H   1 21 VAL HB  2.550 . 2.700 2.271 2.147 2.482     .  0 0 "[    .    1    .    2]" 1 
       169 1 21 VAL H   1 21 VAL QG  2.630 . 5.700 2.265 1.838 2.521 0.062 10 0 "[    .    1    .    2]" 1 
       170 1 21 VAL H   1 22 LYS QB  3.740 . 6.000 4.229 4.029 4.369     .  0 0 "[    .    1    .    2]" 1 
       171 1 21 VAL H   1 43 ALA MB  4.270 . 6.000 5.022 4.945 5.128     .  0 0 "[    .    1    .    2]" 1 
       172 1 19 ILE H   1 22 LYS H   4.270 . 5.000 4.425 4.186 4.681     .  0 0 "[    .    1    .    2]" 1 
       173 1 20 THR HA  1 22 LYS H   3.860 . 5.000 4.569 4.294 4.899     .  0 0 "[    .    1    .    2]" 1 
       174 1 20 THR HB  1 22 LYS H   4.000 . 5.000 5.094 5.033 5.133 0.133  1 0 "[    .    1    .    2]" 1 
       175 1 20 THR H   1 22 LYS H   3.580 . 5.000 4.024 3.794 4.169     .  0 0 "[    .    1    .    2]" 1 
       176 1 21 VAL HA  1 22 LYS H   3.510 . 5.000 3.558 3.542 3.574     .  0 0 "[    .    1    .    2]" 1 
       177 1 21 VAL HB  1 22 LYS H   2.470 . 2.700 2.425 2.270 2.583     .  0 0 "[    .    1    .    2]" 1 
       178 1 21 VAL QG  1 22 LYS H   3.180 . 5.700 2.976 2.824 3.164     .  0 0 "[    .    1    .    2]" 1 
       179 1 22 LYS H   1 22 LYS HA  2.600 . 3.300 2.812 2.761 2.844     .  0 0 "[    .    1    .    2]" 1 
       180 1 22 LYS H   1 22 LYS QB  2.540 . 3.700 2.134 2.033 2.190     .  0 0 "[    .    1    .    2]" 1 
       181 1 22 LYS H   1 23 LYS QG  3.620 . 6.000 4.479 3.900 5.097     .  0 0 "[    .    1    .    2]" 1 
       182 1 22 LYS H   1 24 ALA H   3.580 . 5.000 3.960 3.730 4.094     .  0 0 "[    .    1    .    2]" 1 
       183 1 22 LYS H   1 36 VAL QG  2.870 . 5.700 3.115 2.210 4.079     .  0 0 "[    .    1    .    2]" 1 
       184 1 19 ILE MG  1 23 LYS H   3.970 . 6.000 4.407 4.229 4.652     .  0 0 "[    .    1    .    2]" 1 
       185 1 21 VAL HA  1 23 LYS H   4.230 . 5.000 4.545 4.187 4.928     .  0 0 "[    .    1    .    2]" 1 
       186 1 21 VAL QG  1 23 LYS H   4.590 . 7.400 4.622 4.448 4.893     .  0 0 "[    .    1    .    2]" 1 
       187 1 22 LYS HA  1 23 LYS H   3.240 . 5.000 3.585 3.566 3.600     .  0 0 "[    .    1    .    2]" 1 
       188 1 22 LYS QB  1 23 LYS H   2.860 . 4.300 2.340 2.123 2.580     .  0 0 "[    .    1    .    2]" 1 
       189 1 23 LYS H   1 23 LYS HA  2.760 . 3.300 2.898 2.881 2.918     .  0 0 "[    .    1    .    2]" 1 
       190 1 23 LYS H   1 23 LYS QB  2.390 . 3.700 2.278 2.037 2.530     .  0 0 "[    .    1    .    2]" 1 
       191 1 23 LYS H   1 23 LYS QG  3.220 . 6.000 2.313 1.849 2.885 0.051  9 0 "[    .    1    .    2]" 1 
       192 1 23 LYS H   1 24 ALA H       . . 2.700 2.608 2.480 2.764 0.064 17 0 "[    .    1    .    2]" 1 
       193 1 21 VAL HA  1 24 ALA H   3.230 . 3.300 3.282 3.165 3.381 0.081  8 0 "[    .    1    .    2]" 1 
       194 1 22 LYS HA  1 24 ALA H   3.830 . 5.000 4.110 3.754 4.401     .  0 0 "[    .    1    .    2]" 1 
       195 1 23 LYS HA  1 24 ALA H   3.100 . 3.300 3.430 3.303 3.481 0.181 18 0 "[    .    1    .    2]" 1 
       196 1 23 LYS QB  1 24 ALA H   2.580 . 4.300 3.228 2.791 3.909     .  0 0 "[    .    1    .    2]" 1 
       197 1 23 LYS QD  1 24 ALA H   3.630 . 6.000 4.802 3.123 5.419     .  0 0 "[    .    1    .    2]" 1 
       198 1 24 ALA H   1 24 ALA HA  2.640 . 2.700 2.879 2.832 2.931 0.231 16 0 "[    .    1    .    2]" 1 
       199 1 24 ALA H   1 24 ALA MB  2.300 . 3.700 1.969 1.903 2.150     .  0 0 "[    .    1    .    2]" 1 
       200 1 24 ALA H   1 25 LEU MD1 4.050 . 6.000 3.286 3.153 3.409     .  0 0 "[    .    1    .    2]" 1 
       201 1 24 ALA H   1 25 LEU HG  3.380 . 5.000 5.205 5.091 5.397 0.397 15 0 "[    .    1    .    2]" 1 
       202 1 24 ALA H   1 27 LYS QE  4.840 . 6.000 5.077 4.443 5.427     .  0 0 "[    .    1    .    2]" 1 
       203 1 25 LEU MD2 1 57 LEU MD1 3.360 . 7.000 3.714 3.089 4.802     .  0 0 "[    .    1    .    2]" 1 
       204 1 25 LEU MD2 1 57 LEU MD2 3.010 . 5.300 2.781 2.179 3.559     .  0 0 "[    .    1    .    2]" 1 
       205 1 21 VAL HA  1 25 LEU H   3.980 . 5.000 3.972 3.730 4.231     .  0 0 "[    .    1    .    2]" 1 
       206 1 21 VAL QG  1 25 LEU H   3.710 . 7.400 3.716 3.569 4.027     .  0 0 "[    .    1    .    2]" 1 
       207 1 22 LYS HA  1 25 LEU H   3.500 . 5.000 4.238 3.985 4.616     .  0 0 "[    .    1    .    2]" 1 
       208 1 24 ALA HA  1 25 LEU H   3.280 . 5.000 3.559 3.508 3.584     .  0 0 "[    .    1    .    2]" 1 
       209 1 24 ALA MB  1 25 LEU H   2.690 . 4.300 2.189 1.889 2.443 0.011 15 0 "[    .    1    .    2]" 1 
       210 1 25 LEU H   1 25 LEU HA  2.790 . 3.300 2.874 2.827 2.933     .  0 0 "[    .    1    .    2]" 1 
       211 1 25 LEU H   1 25 LEU QB  2.570 . 3.700 2.494 2.273 3.004     .  0 0 "[    .    1    .    2]" 1 
       212 1 25 LEU H   1 25 LEU MD1 2.880 . 4.300 1.757 1.559 1.869 0.341  8 0 "[    .    1    .    2]" 1 
       213 1 25 LEU H   1 25 LEU MD2 3.100 . 4.300 3.128 1.607 3.779 0.293 20 0 "[    .    1    .    2]" 1 
       214 1 25 LEU H   1 25 LEU HG  2.700 . 3.300 2.833 2.408 3.429 0.129 16 0 "[    .    1    .    2]" 1 
       215 1 25 LEU H   1 26 SER H       . . 2.700 2.568 2.320 2.724 0.024  4 0 "[    .    1    .    2]" 1 
       216 1 25 LEU H   1 27 LYS H   4.120 . 5.000 4.060 3.888 4.581     .  0 0 "[    .    1    .    2]" 1 
       217 1 25 LEU H   1 43 ALA MB  3.510 . 6.000 5.036 4.903 5.157     .  0 0 "[    .    1    .    2]" 1 
       218 1 22 LYS HA  1 26 SER H   3.590 . 5.000 4.357 4.150 4.546     .  0 0 "[    .    1    .    2]" 1 
       219 1 24 ALA MB  1 26 SER H   3.450 . 6.000 4.061 3.678 4.326     .  0 0 "[    .    1    .    2]" 1 
       220 1 25 LEU QB  1 26 SER H   2.860 . 4.300 2.910 2.504 3.724     .  0 0 "[    .    1    .    2]" 1 
       221 1 25 LEU MD1 1 26 SER H   2.860 . 4.300 3.563 3.431 3.709     .  0 0 "[    .    1    .    2]" 1 
       222 1 25 LEU MD2 1 26 SER H   3.770 . 6.000 3.934 1.700 4.932 0.200  8 0 "[    .    1    .    2]" 1 
       223 1 25 LEU HG  1 26 SER H   3.480 . 5.000 4.505 4.222 4.630     .  0 0 "[    .    1    .    2]" 1 
       224 1 26 SER H   1 27 LYS HA  4.220 . 5.000 5.167 5.072 5.224 0.224  9 0 "[    .    1    .    2]" 1 
       225 1 26 SER H   1 27 LYS H   2.750 . 3.300 2.477 2.355 2.570     .  0 0 "[    .    1    .    2]" 1 
       226 1 26 SER H   1 28 VAL HB  4.380 . 5.000 4.950 4.665 5.063 0.063  7 0 "[    .    1    .    2]" 1 
       227 1 26 SER H   1 28 VAL QG  3.750 . 7.400 4.218 3.762 4.665     .  0 0 "[    .    1    .    2]" 1 
       228 1 26 SER H   1 28 VAL H   3.950 . 5.000 3.764 3.520 3.899     .  0 0 "[    .    1    .    2]" 1 
       229 1 24 ALA MB  1 27 LYS H   4.040 . 6.000 4.526 4.339 4.676     .  0 0 "[    .    1    .    2]" 1 
       230 1 27 LYS H   1 27 LYS HA  2.680 . 3.300 2.961 2.906 2.988     .  0 0 "[    .    1    .    2]" 1 
       231 1 27 LYS H   1 27 LYS QB  2.810 . 4.300 2.335 1.954 2.774     .  0 0 "[    .    1    .    2]" 1 
       232 1 27 LYS H   1 27 LYS QD  2.530 . 3.700 2.857 1.912 3.417     .  0 0 "[    .    1    .    2]" 1 
       233 1 27 LYS H   1 27 LYS QE  4.140 . 6.000 4.345 3.834 4.598     .  0 0 "[    .    1    .    2]" 1 
       234 1 27 LYS H   1 27 LYS QG  2.780 . 4.300 3.111 1.811 3.936 0.089 15 0 "[    .    1    .    2]" 1 
       235 1 27 LYS H   1 28 VAL HA  3.940 . 5.000 4.632 4.425 4.907     .  0 0 "[    .    1    .    2]" 1 
       236 1 27 LYS H   1 28 VAL QG  3.410 . 7.400 3.743 3.502 3.964     .  0 0 "[    .    1    .    2]" 1 
       237 1 27 LYS H   1 28 VAL H   2.620 . 2.700 2.265 2.056 2.546     .  0 0 "[    .    1    .    2]" 1 
       238 1 27 LYS H   1 60 ALA MB  3.910 . 6.000 4.252 3.971 4.590     .  0 0 "[    .    1    .    2]" 1 
       239 1 25 LEU QB  1 28 VAL H   4.610 . 6.000 4.609 4.417 5.075     .  0 0 "[    .    1    .    2]" 1 
       240 1 27 LYS HA  1 28 VAL H   3.190 . 3.300 3.321 3.228 3.389 0.089 17 0 "[    .    1    .    2]" 1 
       241 1 27 LYS QB  1 28 VAL H   3.660 . 6.000 3.611 3.236 3.912     .  0 0 "[    .    1    .    2]" 1 
       242 1 27 LYS QD  1 28 VAL H   3.560 . 6.000 2.947 2.345 3.968     .  0 0 "[    .    1    .    2]" 1 
       243 1 27 LYS QG  1 28 VAL H   3.900 . 6.000 3.681 2.761 4.854     .  0 0 "[    .    1    .    2]" 1 
       244 1 28 VAL H   1 28 VAL HA  2.880 . 3.300 2.772 2.690 2.813     .  0 0 "[    .    1    .    2]" 1 
       245 1 28 VAL H   1 28 VAL HB  2.430 . 2.700 2.329 2.163 2.529     .  0 0 "[    .    1    .    2]" 1 
       246 1 28 VAL H   1 28 VAL QG  2.530 . 5.100 2.182 1.849 2.413 0.051 15 0 "[    .    1    .    2]" 1 
       247 1 28 VAL H   1 29 GLU H   3.810 . 5.000 3.229 2.952 3.626     .  0 0 "[    .    1    .    2]" 1 
       248 1 28 VAL H   1 31 VAL H   4.240 . 5.000 4.892 4.625 5.025 0.025 13 0 "[    .    1    .    2]" 1 
       249 1 28 VAL H   1 57 LEU MD2 4.060 . 6.000 4.780 4.188 5.030     .  0 0 "[    .    1    .    2]" 1 
       250 1 28 VAL H   1 60 ALA MB  3.890 . 6.000 3.546 3.167 3.860     .  0 0 "[    .    1    .    2]" 1 
       251 1 27 LYS HA  1 29 GLU H   4.470 . 5.000 4.487 3.833 5.038 0.038  4 0 "[    .    1    .    2]" 1 
       252 1 27 LYS QD  1 29 GLU H   4.090 . 6.000 4.953 4.584 5.450     .  0 0 "[    .    1    .    2]" 1 
       253 1 28 VAL HA  1 29 GLU H   2.060 . 5.000 3.580 3.521 3.625     .  0 0 "[    .    1    .    2]" 1 
       254 1 28 VAL QG  1 29 GLU H   2.590 . 5.100 1.826 1.711 2.343 0.189 14 0 "[    .    1    .    2]" 1 
       255 1 29 GLU H   1 29 GLU HA  2.710 . 3.300 2.838 2.759 2.902     .  0 0 "[    .    1    .    2]" 1 
       256 1 29 GLU H   1 29 GLU QB  2.280 . 3.700 2.927 2.776 3.376     .  0 0 "[    .    1    .    2]" 1 
       257 1 29 GLU H   1 29 GLU QG  3.220 . 4.300 3.842 2.554 3.978     .  0 0 "[    .    1    .    2]" 1 
       258 1 29 GLU H   1 31 VAL H   4.680 . 5.000 2.477 2.208 2.766     .  0 0 "[    .    1    .    2]" 1 
       259 1 29 GLU H   1 52 ALA MB  4.050 . 6.000 3.770 3.153 4.423     .  0 0 "[    .    1    .    2]" 1 
       260 1 29 GLU H   1 57 LEU MD2 4.760 . 6.000 4.937 4.572 5.018     .  0 0 "[    .    1    .    2]" 1 
       261 1 29 GLU QB  1 30 GLY H   3.240 . 4.300 2.172 1.814 3.441 0.086  2 0 "[    .    1    .    2]" 1 
       262 1 29 GLU QG  1 30 GLY H   3.310 . 6.000 3.680 1.806 4.294 0.094 15 0 "[    .    1    .    2]" 1 
       263 1 30 GLY H   1 30 GLY HA3 2.660 . 3.300 2.395 2.343 2.516     .  0 0 "[    .    1    .    2]" 1 
       264 1 30 GLY H   1 30 GLY HA2 2.910 . 3.300 2.940 2.868 2.996     .  0 0 "[    .    1    .    2]" 1 
       265 1 30 GLY H   1 31 VAL QG  3.620 . 7.400 3.769 2.873 4.131     .  0 0 "[    .    1    .    2]" 1 
       266 1 30 GLY H   1 31 VAL H   2.730 . 3.300 2.412 2.029 2.682     .  0 0 "[    .    1    .    2]" 1 
       267 1 30 GLY H   1 52 ALA MB  4.230 . 6.000 2.036 1.822 2.918 0.078  2 0 "[    .    1    .    2]" 1 
       268 1 31 VAL HA  1 47 PHE HA  2.240 . 2.700 2.399 2.138 2.597     .  0 0 "[    .    1    .    2]" 1 
       269 1 29 GLU QB  1 31 VAL H   4.230 . 6.000 3.930 3.608 4.837     .  0 0 "[    .    1    .    2]" 1 
       270 1 30 GLY HA3 1 31 VAL H   3.250 . 5.000 3.187 3.008 3.423     .  0 0 "[    .    1    .    2]" 1 
       271 1 30 GLY HA2 1 31 VAL H   3.320 . 5.000 3.384 3.165 3.502     .  0 0 "[    .    1    .    2]" 1 
       272 1 31 VAL H   1 31 VAL HB  2.320 . 2.700 2.379 2.176 2.564     .  0 0 "[    .    1    .    2]" 1 
       273 1 31 VAL H   1 31 VAL QG  2.430 . 3.700 2.142 1.829 2.445 0.071  4 0 "[    .    1    .    2]" 1 
       274 1 31 VAL H   1 32 SER H   3.990 . 5.000 4.598 4.574 4.621     .  0 0 "[    .    1    .    2]" 1 
       275 1 31 VAL H   1 47 PHE HA  3.980 . 5.000 4.794 4.450 4.997     .  0 0 "[    .    1    .    2]" 1 
       276 1 31 VAL H   1 47 PHE QB  4.480 . 6.000 3.372 3.080 3.787     .  0 0 "[    .    1    .    2]" 1 
       277 1 31 VAL H   1 51 LYS QB  4.550 . 6.000 4.919 4.356 5.323     .  0 0 "[    .    1    .    2]" 1 
       278 1 31 VAL H   1 52 ALA MB  4.020 . 6.000 2.965 2.453 3.714     .  0 0 "[    .    1    .    2]" 1 
       279 1 31 VAL H   1 57 LEU MD2 4.350 . 6.000 4.324 3.959 4.993     .  0 0 "[    .    1    .    2]" 1 
       280 1 26 SER HA  1 32 SER H   3.510 . 5.000 5.113 5.032 5.162 0.162 11 0 "[    .    1    .    2]" 1 
       281 1 31 VAL HA  1 32 SER H   2.320 . 2.700 2.149 2.121 2.181     .  0 0 "[    .    1    .    2]" 1 
       282 1 31 VAL HB  1 32 SER H   3.680 . 5.000 4.118 3.999 4.276     .  0 0 "[    .    1    .    2]" 1 
       283 1 31 VAL QG  1 32 SER H   2.520 . 5.100 2.281 2.024 2.553     .  0 0 "[    .    1    .    2]" 1 
       284 1 32 SER H   1 32 SER HA  2.980 . 3.300 2.996 2.988 3.001     .  0 0 "[    .    1    .    2]" 1 
       285 1 32 SER H   1 32 SER QB  3.200 . 4.300 2.416 2.247 2.817     .  0 0 "[    .    1    .    2]" 1 
       286 1 32 SER H   1 33 LYS HA  4.020 . 5.000 4.657 4.606 4.706     .  0 0 "[    .    1    .    2]" 1 
       287 1 32 SER H   1 33 LYS QB  3.950 . 6.000 3.906 3.735 4.048     .  0 0 "[    .    1    .    2]" 1 
       288 1 32 SER H   1 33 LYS QG  4.050 . 6.000 5.267 4.922 5.428     .  0 0 "[    .    1    .    2]" 1 
       289 1 32 SER H   1 33 LYS H   2.450 . 2.700 1.854 1.831 1.883 0.069  8 0 "[    .    1    .    2]" 1 
       290 1 32 SER H   1 46 THR HA  4.150 . 5.000 5.042 4.923 5.155 0.155  4 0 "[    .    1    .    2]" 1 
       291 1 32 SER H   1 46 THR MG  3.420 . 6.000 3.336 3.164 3.497     .  0 0 "[    .    1    .    2]" 1 
       292 1 32 SER H   1 47 PHE HA  2.690 . 3.300 1.996 1.829 2.237 0.071  8 0 "[    .    1    .    2]" 1 
       293 1 32 SER H   1 47 PHE QB  3.350 . 6.000 2.901 2.723 3.114     .  0 0 "[    .    1    .    2]" 1 
       294 1 32 SER H   1 47 PHE QD  4.590 . 7.000 4.715 4.578 4.911     .  0 0 "[    .    1    .    2]" 1 
       295 1 32 SER H   1 47 PHE H   4.360 . 5.000 4.225 4.014 4.485     .  0 0 "[    .    1    .    2]" 1 
       296 1 32 SER H   1 48 ASP H   3.740 . 5.000 4.153 4.043 4.338     .  0 0 "[    .    1    .    2]" 1 
       297 1 32 SER H   1 57 LEU MD2 4.670 . 6.000 5.061 4.998 5.130     .  0 0 "[    .    1    .    2]" 1 
       298 1 31 VAL HA  1 33 LYS H   2.980 . 3.300 3.576 3.505 3.628 0.328 15 0 "[    .    1    .    2]" 1 
       299 1 31 VAL HB  1 33 LYS H   4.270 . 5.000 4.769 4.456 5.042 0.042 11 0 "[    .    1    .    2]" 1 
       300 1 31 VAL QG  1 33 LYS H   2.510 . 5.100 2.138 1.828 2.384 0.072 16 0 "[    .    1    .    2]" 1 
       301 1 32 SER HA  1 33 LYS H   3.040 . 3.300 3.404 3.364 3.422 0.122  8 0 "[    .    1    .    2]" 1 
       302 1 32 SER QB  1 33 LYS H   3.370 . 6.000 3.099 2.975 3.230     .  0 0 "[    .    1    .    2]" 1 
       303 1 33 LYS H   1 33 LYS HA  2.820 . 3.300 2.936 2.889 2.980     .  0 0 "[    .    1    .    2]" 1 
       304 1 33 LYS H   1 33 LYS QB  2.660 . 3.700 2.720 2.577 2.833     .  0 0 "[    .    1    .    2]" 1 
       305 1 33 LYS H   1 33 LYS QG  3.500 . 6.000 3.815 3.506 4.020     .  0 0 "[    .    1    .    2]" 1 
       306 1 33 LYS H   1 34 VAL H   3.560 . 5.000 4.311 3.667 4.443     .  0 0 "[    .    1    .    2]" 1 
       307 1 33 LYS H   1 45 VAL HA  3.720 . 5.000 4.949 4.741 5.057 0.057 16 0 "[    .    1    .    2]" 1 
       308 1 33 LYS H   1 45 VAL QG  3.840 . 7.400 3.393 3.073 3.912     .  0 0 "[    .    1    .    2]" 1 
       309 1 33 LYS H   1 46 THR HA  3.940 . 5.000 5.002 4.918 5.063 0.063  5 0 "[    .    1    .    2]" 1 
       310 1 33 LYS H   1 46 THR HB  2.770 . 3.300 3.350 3.255 3.383 0.083 10 0 "[    .    1    .    2]" 1 
       311 1 33 LYS H   1 46 THR MG  3.090 . 4.300 3.318 3.267 3.394     .  0 0 "[    .    1    .    2]" 1 
       312 1 33 LYS H   1 47 PHE HA  3.540 . 5.000 3.636 3.504 3.811     .  0 0 "[    .    1    .    2]" 1 
       313 1 33 LYS H   1 47 PHE QB  4.490 . 6.000 4.021 3.859 4.242     .  0 0 "[    .    1    .    2]" 1 
       314 1 22 LYS QE  1 34 VAL H   3.910 . 6.000 4.471 3.659 5.375     .  0 0 "[    .    1    .    2]" 1 
       315 1 33 LYS HA  1 34 VAL H   2.130 . 2.700 2.402 2.199 2.495     .  0 0 "[    .    1    .    2]" 1 
       316 1 33 LYS QB  1 34 VAL H   2.960 . 4.300 3.466 3.258 3.989     .  0 0 "[    .    1    .    2]" 1 
       317 1 33 LYS QG  1 34 VAL H   2.830 . 4.300 2.213 1.805 3.261 0.095 11 0 "[    .    1    .    2]" 1 
       318 1 34 VAL H   1 34 VAL HA  2.680 . 3.300 2.955 2.905 3.005     .  0 0 "[    .    1    .    2]" 1 
       319 1 34 VAL H   1 34 VAL HB  2.690 . 3.300 3.049 2.389 3.409 0.109 13 0 "[    .    1    .    2]" 1 
       320 1 34 VAL H   1 34 VAL QG  2.730 . 5.700 2.473 2.104 3.129     .  0 0 "[    .    1    .    2]" 1 
       321 1 34 VAL H   1 45 VAL HA  4.000 . 5.000 4.446 4.172 4.678     .  0 0 "[    .    1    .    2]" 1 
       322 1 34 VAL H   1 46 THR HB  4.280 . 5.000 4.778 4.320 5.035 0.035  9 0 "[    .    1    .    2]" 1 
       323 1 22 LYS QD  1 35 ASP H   4.480 . 6.000 4.608 3.489 5.347     .  0 0 "[    .    1    .    2]" 1 
       324 1 25 LEU MD2 1 35 ASP H   4.390 . 6.000 4.672 3.996 4.950     .  0 0 "[    .    1    .    2]" 1 
       325 1 33 LYS QG  1 35 ASP H   4.120 . 6.000 4.745 4.430 5.296     .  0 0 "[    .    1    .    2]" 1 
       326 1 34 VAL HA  1 35 ASP H   2.220 . 2.700 2.435 2.302 2.632     .  0 0 "[    .    1    .    2]" 1 
       327 1 34 VAL HB  1 35 ASP H   3.540 . 5.000 3.841 3.130 4.138     .  0 0 "[    .    1    .    2]" 1 
       328 1 34 VAL QG  1 35 ASP H   2.540 . 5.100 1.959 1.779 2.658 0.121  5 0 "[    .    1    .    2]" 1 
       329 1 34 VAL H   1 35 ASP H   3.860 . 5.000 4.423 4.342 4.548     .  0 0 "[    .    1    .    2]" 1 
       330 1 35 ASP H   1 35 ASP HA  2.950 . 3.300 2.940 2.914 2.982     .  0 0 "[    .    1    .    2]" 1 
       331 1 35 ASP H   1 35 ASP QB  3.070 . 4.300 2.714 2.499 2.805     .  0 0 "[    .    1    .    2]" 1 
       332 1 35 ASP H   1 44 VAL H   2.820 . 3.300 3.314 3.237 3.359 0.059 13 0 "[    .    1    .    2]" 1 
       333 1 35 ASP H   1 45 VAL HA  3.240 . 5.000 3.369 3.135 3.709     .  0 0 "[    .    1    .    2]" 1 
       334 1 35 ASP H   1 44 VAL QG  3.400 . 7.400 2.960 2.584 3.849     .  0 0 "[    .    1    .    2]" 1 
       335 1 35 ASP HA  1 36 VAL H   2.820 . 3.300 2.458 2.331 2.597     .  0 0 "[    .    1    .    2]" 1 
       336 1 35 ASP QB  1 36 VAL H   3.680 . 6.000 2.906 2.356 3.453     .  0 0 "[    .    1    .    2]" 1 
       337 1 35 ASP H   1 36 VAL H   4.050 . 5.000 4.403 4.374 4.451     .  0 0 "[    .    1    .    2]" 1 
       338 1 36 VAL H   1 36 VAL HA  2.310 . 3.300 2.991 2.964 3.002     .  0 0 "[    .    1    .    2]" 1 
       339 1 36 VAL HB  1 37 GLY H   3.260 . 5.000 3.285 2.564 4.443     .  0 0 "[    .    1    .    2]" 1 
       340 1 36 VAL QG  1 37 GLY H   2.660 . 5.700 3.096 2.063 3.656     .  0 0 "[    .    1    .    2]" 1 
       341 1 37 GLY H   1 37 GLY HA3 2.690 . 3.300 2.635 2.478 2.716     .  0 0 "[    .    1    .    2]" 1 
       342 1 37 GLY H   1 42 GLU QB  4.020 . 6.000 5.043 4.242 5.355     .  0 0 "[    .    1    .    2]" 1 
       343 1 37 GLY H   1 42 GLU QG  4.350 . 6.000 3.926 3.101 5.200     .  0 0 "[    .    1    .    2]" 1 
       344 1 37 GLY H   1 42 GLU H   3.460 . 5.000 3.584 3.013 4.261     .  0 0 "[    .    1    .    2]" 1 
       345 1 37 GLY H   1 43 ALA HA  2.950 . 3.300 2.955 2.354 3.323 0.023  1 0 "[    .    1    .    2]" 1 
       346 1 37 GLY H   1 43 ALA MB  3.480 . 6.000 4.062 3.715 4.341     .  0 0 "[    .    1    .    2]" 1 
       347 1 17 CYS QB  1 38 PHE QD  3.020 . 6.300 4.445 3.173 5.166     .  0 0 "[    .    1    .    2]" 1 
       348 1 38 PHE HA  1 38 PHE QD  2.400 . 4.700 2.125 1.751 2.854 0.149 11 0 "[    .    1    .    2]" 1 
       349 1 38 PHE QB  1 38 PHE QD  2.540 . 5.700 2.220 2.157 2.269     .  0 0 "[    .    1    .    2]" 1 
       350 1 14 CYS HA  1 38 PHE QE  3.550 . 7.000 3.612 2.859 4.200     .  0 0 "[    .    1    .    2]" 1 
       351 1 12 MET HA  1 38 PHE QE  3.610 . 7.000 2.368 1.806 3.425 0.094  5 0 "[    .    1    .    2]" 1 
       352 1 12 MET QB  1 38 PHE QE  3.090 . 6.300 3.487 2.075 4.564     .  0 0 "[    .    1    .    2]" 1 
       353 1 17 CYS QB  1 38 PHE QE  3.420 . 8.000 2.955 1.872 4.298 0.028  4 0 "[    .    1    .    2]" 1 
       354 1 38 PHE HA  1 38 PHE QE  3.020 . 5.300 4.072 3.958 4.341     .  0 0 "[    .    1    .    2]" 1 
       355 1 14 CYS HA  1 38 PHE HZ  2.940 . 3.300 3.360 3.321 3.412 0.112  5 0 "[    .    1    .    2]" 1 
       356 1  9 VAL QG  1 38 PHE QE  3.910 . 7.400 4.638 3.903 5.191     .  0 0 "[    .    1    .    2]" 1 
       357 1 36 VAL HB  1 38 PHE H   4.240 . 5.000 4.381 3.223 4.945     .  0 0 "[    .    1    .    2]" 1 
       358 1 36 VAL QG  1 38 PHE H   4.440 . 7.400 3.603 2.166 4.714     .  0 0 "[    .    1    .    2]" 1 
       359 1 37 GLY HA3 1 38 PHE H   3.440 . 5.000 3.509 3.358 3.587     .  0 0 "[    .    1    .    2]" 1 
       360 1 38 PHE H   1 38 PHE QB  3.440 . 6.000 1.958 1.927 2.105     .  0 0 "[    .    1    .    2]" 1 
       361 1 38 PHE H   1 38 PHE QD  4.390 . 7.000 3.702 3.082 4.059     .  0 0 "[    .    1    .    2]" 1 
       362 1 38 PHE HA  1 39 GLU H   4.670 . 5.000 3.472 3.394 3.528     .  0 0 "[    .    1    .    2]" 1 
       363 1 38 PHE QB  1 39 GLU H   4.200 . 6.000 3.015 2.841 3.242     .  0 0 "[    .    1    .    2]" 1 
       364 1 38 PHE QD  1 39 GLU H   4.490 . 7.000 4.635 4.457 4.770     .  0 0 "[    .    1    .    2]" 1 
       365 1 39 GLU H   1 39 GLU QB  3.440 . 6.000 2.105 1.932 2.413     .  0 0 "[    .    1    .    2]" 1 
       366 1 39 GLU H   1 39 GLU QG  4.120 . 6.000 3.299 1.895 4.032 0.005 10 0 "[    .    1    .    2]" 1 
       367 1 39 GLU H   1 40 LYS H   3.880 . 5.000 2.805 2.632 3.058     .  0 0 "[    .    1    .    2]" 1 
       368 1 39 GLU HA  1 40 LYS H   3.530 . 5.000 3.512 3.445 3.585     .  0 0 "[    .    1    .    2]" 1 
       369 1 39 GLU QB  1 40 LYS H   3.240 . 4.300 2.805 2.094 3.569     .  0 0 "[    .    1    .    2]" 1 
       370 1 40 LYS H   1 40 LYS QB  3.040 . 4.300 2.572 2.067 3.032     .  0 0 "[    .    1    .    2]" 1 
       371 1 40 LYS H   1 40 LYS QD  3.640 . 6.000 4.341 3.103 4.865     .  0 0 "[    .    1    .    2]" 1 
       372 1 40 LYS H   1 41 ARG HA  3.930 . 5.000 4.312 4.140 4.672     .  0 0 "[    .    1    .    2]" 1 
       373 1 39 GLU HA  1 41 ARG H   3.730 . 5.000 4.519 3.949 5.020 0.020  6 0 "[    .    1    .    2]" 1 
       374 1 40 LYS HA  1 41 ARG H   3.280 . 5.000 2.947 2.707 3.294     .  0 0 "[    .    1    .    2]" 1 
       375 1 41 ARG H   1 41 ARG HA  2.550 . 2.700 2.374 2.357 2.387     .  0 0 "[    .    1    .    2]" 1 
       376 1 41 ARG H   1 41 ARG QB  3.130 . 4.300 2.935 2.456 3.321     .  0 0 "[    .    1    .    2]" 1 
       377 1 41 ARG H   1 41 ARG QD  3.710 . 6.000 3.314 2.224 4.813     .  0 0 "[    .    1    .    2]" 1 
       378 1 41 ARG H   1 41 ARG QG  3.250 . 4.300 3.242 2.030 4.214     .  0 0 "[    .    1    .    2]" 1 
       379 1  8 ALA HA  1 42 GLU HA  2.670 . 2.700 2.521 2.171 2.734 0.034 17 0 "[    .    1    .    2]" 1 
       380 1  9 VAL QG  1 42 GLU H   3.780 . 7.400 3.533 3.144 4.118     .  0 0 "[    .    1    .    2]" 1 
       381 1 37 GLY HA2 1 42 GLU H   4.100 . 5.000 5.007 4.839 5.088 0.088 14 0 "[    .    1    .    2]" 1 
       382 1 40 LYS HA  1 42 GLU H   4.120 . 5.000 5.085 5.027 5.137 0.137 10 0 "[    .    1    .    2]" 1 
       383 1 40 LYS QB  1 42 GLU H   3.680 . 6.000 4.053 3.521 5.028     .  0 0 "[    .    1    .    2]" 1 
       384 1 41 ARG HA  1 42 GLU H   2.790 . 3.300 2.663 2.596 2.732     .  0 0 "[    .    1    .    2]" 1 
       385 1 41 ARG QB  1 42 GLU H   3.080 . 4.300 3.924 3.889 3.989     .  0 0 "[    .    1    .    2]" 1 
       386 1 41 ARG QD  1 42 GLU H   4.390 . 6.000 4.754 4.084 5.491     .  0 0 "[    .    1    .    2]" 1 
       387 1 42 GLU H   1 42 GLU QB  2.860 . 4.300 2.987 2.452 3.195     .  0 0 "[    .    1    .    2]" 1 
       388 1 42 GLU H   1 42 GLU QG  3.570 . 6.000 2.434 1.853 4.123 0.047  8 0 "[    .    1    .    2]" 1 
       389 1 42 GLU H   1 43 ALA HA  4.630 . 5.000 4.717 4.640 4.787     .  0 0 "[    .    1    .    2]" 1 
       390 1 42 GLU H   1 43 ALA MB  4.020 . 6.000 4.935 4.839 5.021     .  0 0 "[    .    1    .    2]" 1 
       391 1 42 GLU H   1 43 ALA H   3.880 . 5.000 4.438 4.381 4.482     .  0 0 "[    .    1    .    2]" 1 
       392 1  6 THR HB  1 43 ALA H   4.570 . 5.000 5.039 4.681 5.166 0.166 19 0 "[    .    1    .    2]" 1 
       393 1  7 LEU HG  1 43 ALA H   3.780 . 5.000 5.147 5.102 5.262 0.262 19 0 "[    .    1    .    2]" 1 
       394 1  8 ALA HA  1 43 ALA H   3.470 . 5.000 4.044 3.693 4.328     .  0 0 "[    .    1    .    2]" 1 
       395 1  8 ALA MB  1 43 ALA H   4.220 . 7.000 5.156 4.922 5.322     .  0 0 "[    .    1    .    2]" 1 
       396 1  9 VAL QG  1 43 ALA H   3.550 . 7.400 2.924 2.445 3.484     .  0 0 "[    .    1    .    2]" 1 
       397 1 21 VAL QG  1 43 ALA H   3.010 . 5.700 3.705 3.294 3.935     .  0 0 "[    .    1    .    2]" 1 
       398 1 42 GLU HA  1 43 ALA H   2.360 . 2.700 2.366 2.256 2.538     .  0 0 "[    .    1    .    2]" 1 
       399 1 42 GLU QG  1 43 ALA H   4.080 . 6.000 3.693 2.038 4.440     .  0 0 "[    .    1    .    2]" 1 
       400 1 43 ALA H   1 43 ALA MB  2.570 . 3.700 2.347 2.219 2.494     .  0 0 "[    .    1    .    2]" 1 
       401 1 35 ASP QB  1 44 VAL H   3.600 . 6.000 3.098 2.443 3.487     .  0 0 "[    .    1    .    2]" 1 
       402 1 43 ALA HA  1 44 VAL H   2.270 . 2.700 2.267 2.233 2.318     .  0 0 "[    .    1    .    2]" 1 
       403 1 44 VAL H   1 44 VAL HB  2.520 . 2.700 2.594 2.148 2.744 0.044  3 0 "[    .    1    .    2]" 1 
       404 1 44 VAL H   1 44 VAL QG  2.440 . 5.000 2.133 1.837 2.978 0.063  2 0 "[    .    1    .    2]" 1 
       405 1 44 VAL H   1 45 VAL H   3.510 . 5.000 4.407 4.191 4.573     .  0 0 "[    .    1    .    2]" 1 
       406 1  6 THR HA  1 45 VAL H   3.060 . 3.300 3.339 3.092 3.481 0.181 11 0 "[    .    1    .    2]" 1 
       407 1  7 LEU QB  1 45 VAL H   4.320 . 7.000 4.638 4.255 4.965     .  0 0 "[    .    1    .    2]" 1 
       408 1  7 LEU H   1 45 VAL H   3.710 . 5.000 4.903 4.746 5.046 0.046 19 0 "[    .    1    .    2]" 1 
       409 1 25 LEU MD2 1 45 VAL H   5.000 . 6.000 4.399 3.878 4.995     .  0 0 "[    .    1    .    2]" 1 
       410 1 44 VAL HA  1 45 VAL H   2.280 . 2.700 2.215 2.136 2.280     .  0 0 "[    .    1    .    2]" 1 
       411 1 44 VAL QG  1 45 VAL H   2.680 . 5.700 2.736 2.130 3.041     .  0 0 "[    .    1    .    2]" 1 
       412 1 45 VAL H   1 45 VAL HB  2.670 . 3.300 2.704 2.273 3.338 0.038 18 0 "[    .    1    .    2]" 1 
       413 1 45 VAL H   1 45 VAL QG  2.770 . 5.700 2.417 1.916 2.952     .  0 0 "[    .    1    .    2]" 1 
       414 1 45 VAL H   1 57 LEU MD1 4.330 . 6.000 4.063 3.775 4.323     .  0 0 "[    .    1    .    2]" 1 
       415 1 33 LYS QB  1 46 THR H   3.540 . 6.000 3.408 3.069 4.054     .  0 0 "[    .    1    .    2]" 1 
       416 1 33 LYS H   1 46 THR H   3.440 . 5.000 3.201 3.022 3.344     .  0 0 "[    .    1    .    2]" 1 
       417 1 45 VAL HA  1 46 THR H   2.540 . 2.700 2.242 2.182 2.500     .  0 0 "[    .    1    .    2]" 1 
       418 1 46 THR H   1 46 THR HB  2.910 . 3.300 2.303 2.198 2.674     .  0 0 "[    .    1    .    2]" 1 
       419 1 46 THR H   1 57 LEU MD2 4.350 . 6.000 4.672 3.905 4.960     .  0 0 "[    .    1    .    2]" 1 
       420 1 47 PHE HA  1 47 PHE QD  2.760 . 5.300 3.695 3.674 3.710     .  0 0 "[    .    1    .    2]" 1 
       421 1 47 PHE QB  1 47 PHE QD  2.390 . 5.700 2.153 2.144 2.157     .  0 0 "[    .    1    .    2]" 1 
       422 1 46 THR HA  1 47 PHE HD2 2.820 . 3.300 3.223 3.010 3.347 0.047 13 0 "[    .    1    .    2]" 1 
       423 1 47 PHE HD2 1 57 LEU MD1 2.640 . 3.700 2.077 1.892 2.293 0.008 12 0 "[    .    1    .    2]" 1 
       424 1 47 PHE HD2 1 57 LEU MD2 3.100 . 4.300 2.702 2.088 3.346     .  0 0 "[    .    1    .    2]" 1 
       425 1 47 PHE HD1 1 49 ASP HA  2.450 . 2.700 2.817 2.766 2.844 0.144 10 0 "[    .    1    .    2]" 1 
       426 1 47 PHE HD1 1 49 ASP QB  3.270 . 4.300 3.797 3.678 3.869     .  0 0 "[    .    1    .    2]" 1 
       427 1 47 PHE HD1 1 53 SER HA  3.420 . 5.000 3.612 3.120 3.801     .  0 0 "[    .    1    .    2]" 1 
       428 1  4 THR HA  1 47 PHE HE2 3.320 . 5.000 3.951 3.172 5.015 0.015 18 0 "[    .    1    .    2]" 1 
       429 1 47 PHE HE2 1 54 VAL HA  3.580 . 5.000 3.824 3.226 4.281     .  0 0 "[    .    1    .    2]" 1 
       430 1 47 PHE HE2 1 57 LEU MD1 2.790 . 4.300 2.023 1.808 2.372 0.092  8 0 "[    .    1    .    2]" 1 
       431 1 47 PHE HE2 1 57 LEU MD2 3.700 . 6.000 3.911 3.490 4.393     .  0 0 "[    .    1    .    2]" 1 
       432 1 47 PHE HE1 1 49 ASP HA  2.430 . 2.700 2.154 2.018 2.391     .  0 0 "[    .    1    .    2]" 1 
       433 1 47 PHE HE1 1 49 ASP QB  2.770 . 4.300 2.340 2.030 2.538     .  0 0 "[    .    1    .    2]" 1 
       434 1 47 PHE HE1 1 53 SER HA  2.760 . 3.300 2.430 2.171 2.828     .  0 0 "[    .    1    .    2]" 1 
       435 1 47 PHE HZ  1 49 ASP HA  3.360 . 5.000 4.551 4.423 4.835     .  0 0 "[    .    1    .    2]" 1 
       436 1 47 PHE HZ  1 49 ASP QB  3.580 . 6.000 4.064 3.764 4.336     .  0 0 "[    .    1    .    2]" 1 
       437 1 47 PHE HZ  1 53 SER HA  3.360 . 5.000 2.645 2.381 3.096     .  0 0 "[    .    1    .    2]" 1 
       438 1 47 PHE HZ  1 54 VAL HA  3.480 . 5.000 4.522 3.995 4.882     .  0 0 "[    .    1    .    2]" 1 
       439 1 47 PHE HZ  1 57 LEU MD1 3.180 . 4.300 3.430 3.329 3.572     .  0 0 "[    .    1    .    2]" 1 
       440 1  2 THR HA  1 47 PHE H   4.020 . 5.000 3.864 3.610 4.345     .  0 0 "[    .    1    .    2]" 1 
       441 1  2 THR HB  1 47 PHE H   3.710 . 5.000 5.144 5.053 5.243 0.243 16 0 "[    .    1    .    2]" 1 
       442 1  3 GLN QB  1 47 PHE H   3.520 . 6.000 4.302 2.780 5.163     .  0 0 "[    .    1    .    2]" 1 
       443 1  3 GLN QG  1 47 PHE H   4.790 . 7.000 5.542 4.076 6.085     .  0 0 "[    .    1    .    2]" 1 
       444 1 31 VAL QG  1 47 PHE H   4.170 . 7.400 4.828 4.445 5.169     .  0 0 "[    .    1    .    2]" 1 
       445 1 46 THR HA  1 47 PHE H   2.450 . 2.700 2.428 2.350 2.495     .  0 0 "[    .    1    .    2]" 1 
       446 1 46 THR MG  1 47 PHE H   2.860 . 4.300 2.097 1.831 2.494 0.069  8 0 "[    .    1    .    2]" 1 
       447 1 46 THR H   1 47 PHE H   4.020 . 5.000 4.495 4.262 4.569     .  0 0 "[    .    1    .    2]" 1 
       448 1 47 PHE H   1 47 PHE QB  3.660 . 6.000 3.214 3.162 3.243     .  0 0 "[    .    1    .    2]" 1 
       449 1 47 PHE H   1 47 PHE HD2 2.930 . 3.300 3.287 3.168 3.351 0.051 20 0 "[    .    1    .    2]" 1 
       450 1 47 PHE H   1 47 PHE HE2 4.080 . 5.000 4.666 4.521 4.761     .  0 0 "[    .    1    .    2]" 1 
       451 1 47 PHE H   1 48 ASP H   4.450 . 5.000 4.387 4.355 4.405     .  0 0 "[    .    1    .    2]" 1 
       452 1 30 GLY HA3 1 48 ASP H   3.510 . 5.000 3.350 2.817 3.813     .  0 0 "[    .    1    .    2]" 1 
       453 1 30 GLY HA2 1 48 ASP H   3.480 . 5.000 4.242 3.661 4.686     .  0 0 "[    .    1    .    2]" 1 
       454 1 31 VAL HA  1 48 ASP H   3.210 . 3.300 3.398 3.335 3.485 0.185  5 0 "[    .    1    .    2]" 1 
       455 1 31 VAL QG  1 48 ASP H   3.400 . 7.400 4.545 4.100 4.705     .  0 0 "[    .    1    .    2]" 1 
       456 1 47 PHE HA  1 48 ASP H   2.440 . 2.700 2.534 2.410 2.573     .  0 0 "[    .    1    .    2]" 1 
       457 1 47 PHE HD1 1 48 ASP H   3.310 . 5.000 2.643 2.581 2.715     .  0 0 "[    .    1    .    2]" 1 
       458 1 48 ASP H   1 48 ASP HA  2.830 . 3.300 2.984 2.976 2.997     .  0 0 "[    .    1    .    2]" 1 
       459 1 48 ASP H   1 48 ASP QB  2.580 . 3.700 2.445 2.139 2.965     .  0 0 "[    .    1    .    2]" 1 
       460 1 48 ASP H   1 49 ASP H   4.060 . 5.000 4.294 4.217 4.422     .  0 0 "[    .    1    .    2]" 1 
       461 1 48 ASP H   1 52 ALA MB  3.360 . 6.000 3.607 3.030 4.782     .  0 0 "[    .    1    .    2]" 1 
       462 1  1 ALA HA  1 49 ASP H   3.960 . 5.000 3.965 2.930 5.004 0.004 18 0 "[    .    1    .    2]" 1 
       463 1  1 ALA MB  1 49 ASP H   3.270 . 6.000 2.700 1.911 4.027     .  0 0 "[    .    1    .    2]" 1 
       464 1  2 THR HA  1 49 ASP H   3.240 . 5.000 3.150 2.172 3.569     .  0 0 "[    .    1    .    2]" 1 
       465 1  3 GLN QB  1 49 ASP H   3.650 . 7.000 4.425 3.730 5.505     .  0 0 "[    .    1    .    2]" 1 
       466 1  3 GLN QG  1 49 ASP H   3.560 . 7.000 4.805 3.611 6.217     .  0 0 "[    .    1    .    2]" 1 
       467 1 47 PHE HD1 1 49 ASP H   3.690 . 5.000 3.138 2.957 3.484     .  0 0 "[    .    1    .    2]" 1 
       468 1 47 PHE HE1 1 49 ASP H   3.870 . 5.000 3.339 3.046 3.778     .  0 0 "[    .    1    .    2]" 1 
       469 1 48 ASP HA  1 49 ASP H   2.240 . 2.700 2.206 2.182 2.241     .  0 0 "[    .    1    .    2]" 1 
       470 1 48 ASP QB  1 49 ASP H   3.750 . 6.000 3.581 3.325 3.905     .  0 0 "[    .    1    .    2]" 1 
       471 1 49 ASP H   1 49 ASP HA  2.870 . 3.300 2.851 2.805 2.919     .  0 0 "[    .    1    .    2]" 1 
       472 1 49 ASP H   1 49 ASP QB  3.010 . 4.300 2.143 2.068 2.188     .  0 0 "[    .    1    .    2]" 1 
       473 1 49 ASP H   1 51 LYS H   3.670 . 5.000 4.639 4.477 4.989     .  0 0 "[    .    1    .    2]" 1 
       474 1 47 PHE HD1 1 50 THR H   4.520 . 5.000 4.442 4.137 4.525     .  0 0 "[    .    1    .    2]" 1 
       475 1 47 PHE HE1 1 50 THR H   4.670 . 5.000 5.071 5.009 5.122 0.122 20 0 "[    .    1    .    2]" 1 
       476 1 48 ASP QB  1 50 THR H   4.050 . 6.000 2.820 2.620 3.309     .  0 0 "[    .    1    .    2]" 1 
       477 1 49 ASP HA  1 50 THR H   3.300 . 5.000 3.332 2.912 3.451     .  0 0 "[    .    1    .    2]" 1 
       478 1 49 ASP QB  1 50 THR H   4.160 . 6.000 3.297 3.051 3.847     .  0 0 "[    .    1    .    2]" 1 
       479 1 50 THR H   1 50 THR HA  2.910 . 3.300 2.906 2.845 2.994     .  0 0 "[    .    1    .    2]" 1 
       480 1 50 THR H   1 50 THR HB  3.400 . 5.000 2.996 2.342 3.598     .  0 0 "[    .    1    .    2]" 1 
       481 1 50 THR H   1 50 THR MG  2.520 . 3.700 2.276 1.890 3.075 0.010 12 0 "[    .    1    .    2]" 1 
       482 1 50 THR H   1 51 LYS QB  3.760 . 6.000 4.373 3.976 4.976     .  0 0 "[    .    1    .    2]" 1 
       483 1 50 THR H   1 51 LYS H   2.540 . 2.700 2.492 1.874 2.739 0.039 16 0 "[    .    1    .    2]" 1 
       484 1 50 THR H   1 52 ALA H   3.360 . 5.000 3.692 2.990 4.394     .  0 0 "[    .    1    .    2]" 1 
       485 1 30 GLY HA3 1 51 LYS H   4.480 . 5.000 3.660 3.089 4.353     .  0 0 "[    .    1    .    2]" 1 
       486 1 47 PHE HD1 1 51 LYS H   4.220 . 5.000 4.619 4.447 4.922     .  0 0 "[    .    1    .    2]" 1 
       487 1 48 ASP QB  1 51 LYS H   3.740 . 6.000 3.191 2.658 4.051     .  0 0 "[    .    1    .    2]" 1 
       488 1 49 ASP HA  1 51 LYS H   3.460 . 5.000 3.818 3.194 4.278     .  0 0 "[    .    1    .    2]" 1 
       489 1 50 THR HB  1 51 LYS H   3.830 . 5.000 3.904 3.356 4.303     .  0 0 "[    .    1    .    2]" 1 
       490 1 51 LYS H   1 51 LYS HA  2.730 . 3.300 2.996 2.976 3.006     .  0 0 "[    .    1    .    2]" 1 
       491 1 51 LYS H   1 51 LYS QG  2.930 . 4.300 3.366 2.592 3.873     .  0 0 "[    .    1    .    2]" 1 
       492 1 51 LYS H   1 52 ALA HA  3.760 . 5.000 4.712 4.567 4.867     .  0 0 "[    .    1    .    2]" 1 
       493 1 51 LYS H   1 52 ALA H   2.420 . 2.700 1.961 1.872 2.161 0.028  7 0 "[    .    1    .    2]" 1 
       494 1 28 VAL QG  1 52 ALA H   4.220 . 7.400 5.218 4.627 5.530     .  0 0 "[    .    1    .    2]" 1 
       495 1 30 GLY HA3 1 52 ALA H   4.220 . 5.000 3.640 3.027 4.374     .  0 0 "[    .    1    .    2]" 1 
       496 1 47 PHE HD1 1 52 ALA H   3.450 . 5.000 3.972 3.693 4.337     .  0 0 "[    .    1    .    2]" 1 
       497 1 47 PHE HE1 1 52 ALA H   4.240 . 5.000 4.797 4.624 5.080 0.080 15 0 "[    .    1    .    2]" 1 
       498 1 48 ASP QB  1 52 ALA H   4.020 . 6.000 4.280 3.794 5.024     .  0 0 "[    .    1    .    2]" 1 
       499 1 49 ASP HA  1 52 ALA H   3.100 . 3.300 3.125 2.841 3.396 0.096 17 0 "[    .    1    .    2]" 1 
       500 1 49 ASP QB  1 52 ALA H   4.490 . 6.000 4.928 4.575 5.286     .  0 0 "[    .    1    .    2]" 1 
       501 1 51 LYS HA  1 52 ALA H   2.990 . 3.300 3.353 3.144 3.546 0.246 17 0 "[    .    1    .    2]" 1 
       502 1 51 LYS QB  1 52 ALA H   2.890 . 4.300 3.224 2.398 3.603     .  0 0 "[    .    1    .    2]" 1 
       503 1 52 ALA H   1 52 ALA HA  2.910 . 3.300 2.941 2.861 3.001     .  0 0 "[    .    1    .    2]" 1 
       504 1 52 ALA H   1 52 ALA MB  2.530 . 3.700 2.621 2.262 2.859     .  0 0 "[    .    1    .    2]" 1 
       505 1 52 ALA H   1 53 SER H   4.060 . 5.000 4.364 4.300 4.442     .  0 0 "[    .    1    .    2]" 1 
       506 1 28 VAL QG  1 53 SER H   4.050 . 7.400 3.577 3.083 4.400     .  0 0 "[    .    1    .    2]" 1 
       507 1 47 PHE QD  1 53 SER H   4.060 . 7.000 4.457 3.964 4.928     .  0 0 "[    .    1    .    2]" 1 
       508 1 47 PHE QE  1 53 SER H   4.140 . 7.000 4.504 4.173 4.850     .  0 0 "[    .    1    .    2]" 1 
       509 1 52 ALA HA  1 53 SER H   2.400 . 2.700 2.698 2.567 2.801 0.101 17 0 "[    .    1    .    2]" 1 
       510 1 52 ALA MB  1 53 SER H   2.460 . 3.700 2.127 1.813 2.492 0.087 17 0 "[    .    1    .    2]" 1 
       511 1 53 SER H   1 53 SER HA  2.970 . 3.300 2.829 2.805 2.850     .  0 0 "[    .    1    .    2]" 1 
       512 1 53 SER H   1 53 SER QB  3.160 . 4.300 3.111 2.894 3.453     .  0 0 "[    .    1    .    2]" 1 
       513 1 53 SER H   1 54 VAL QG  4.080 . 7.400 5.139 4.778 5.387     .  0 0 "[    .    1    .    2]" 1 
       514 1 53 SER H   1 54 VAL H   4.320 . 5.000 4.360 4.259 4.400     .  0 0 "[    .    1    .    2]" 1 
       515 1 53 SER H   1 55 GLN QB  4.130 . 6.000 4.588 3.872 5.165     .  0 0 "[    .    1    .    2]" 1 
       516 1 53 SER H   1 56 LYS QB  2.450 . 3.700 2.121 1.836 2.747 0.064 17 0 "[    .    1    .    2]" 1 
       517 1 53 SER H   1 56 LYS QE  4.020 . 6.000 5.028 3.583 5.380     .  0 0 "[    .    1    .    2]" 1 
       518 1 53 SER H   1 56 LYS H   3.330 . 5.000 3.085 2.531 3.479     .  0 0 "[    .    1    .    2]" 1 
       519 1 53 SER H   1 57 LEU QB  4.080 . 6.000 5.255 5.171 5.328     .  0 0 "[    .    1    .    2]" 1 
       520 1 53 SER H   1 57 LEU MD1 4.020 . 6.000 4.241 4.078 4.388     .  0 0 "[    .    1    .    2]" 1 
       521 1 53 SER H   1 57 LEU MD2 3.910 . 6.000 3.600 3.176 4.080     .  0 0 "[    .    1    .    2]" 1 
       522 1 53 SER H   1 57 LEU HG  2.860 . 3.300 3.326 3.235 3.399 0.099 17 0 "[    .    1    .    2]" 1 
       523 1 53 SER H   1 57 LEU H   3.730 . 5.000 3.804 3.682 3.948     .  0 0 "[    .    1    .    2]" 1 
       524 1 47 PHE QE  1 54 VAL H   4.050 . 6.000 3.423 3.014 3.642     .  0 0 "[    .    1    .    2]" 1 
       525 1 47 PHE HZ  1 54 VAL H   4.150 . 5.000 2.636 2.281 2.916     .  0 0 "[    .    1    .    2]" 1 
       526 1 53 SER QB  1 54 VAL H   3.110 . 4.300 2.812 1.939 3.450     .  0 0 "[    .    1    .    2]" 1 
       527 1 54 VAL H   1 54 VAL HB  2.780 . 3.300 2.404 2.043 3.495 0.195 16 0 "[    .    1    .    2]" 1 
       528 1 54 VAL H   1 54 VAL QG  2.720 . 5.700 2.163 1.720 2.686 0.180 16 0 "[    .    1    .    2]" 1 
       529 1 54 VAL H   1 55 GLN H   4.020 . 5.000 3.010 2.786 3.268     .  0 0 "[    .    1    .    2]" 1 
       530 1 54 VAL H   1 57 LEU MD1 4.280 . 6.000 2.995 2.529 3.271     .  0 0 "[    .    1    .    2]" 1 
       531 1 54 VAL H   1 57 LEU MD2 4.610 . 6.000 5.023 4.892 5.073     .  0 0 "[    .    1    .    2]" 1 
       532 1 54 VAL H   1 57 LEU HG  4.540 . 5.000 3.963 3.890 4.052     .  0 0 "[    .    1    .    2]" 1 
       533 1 53 SER QB  1 55 GLN H   4.350 . 6.000 3.208 2.473 4.044     .  0 0 "[    .    1    .    2]" 1 
       534 1 54 VAL QG  1 55 GLN H   4.050 . 7.400 2.284 1.752 2.987 0.148 18 0 "[    .    1    .    2]" 1 
       535 1 55 GLN H   1 55 GLN QB  3.170 . 4.300 2.122 1.956 2.188     .  0 0 "[    .    1    .    2]" 1 
       536 1 55 GLN H   1 56 LYS H   3.700 . 5.000 2.885 2.768 3.056     .  0 0 "[    .    1    .    2]" 1 
       537 1 55 GLN H   1 57 LEU QB  3.920 . 6.000 4.975 4.798 5.071     .  0 0 "[    .    1    .    2]" 1 
       538 1 28 VAL QG  1 56 LYS H   4.220 . 7.400 4.295 3.811 5.130     .  0 0 "[    .    1    .    2]" 1 
       539 1 52 ALA HA  1 56 LYS H   4.270 . 5.000 4.674 4.195 4.995     .  0 0 "[    .    1    .    2]" 1 
       540 1 54 VAL HA  1 56 LYS H   3.800 . 5.000 4.512 4.121 4.671     .  0 0 "[    .    1    .    2]" 1 
       541 1 54 VAL QG  1 56 LYS H   4.370 . 7.400 4.279 3.899 4.684     .  0 0 "[    .    1    .    2]" 1 
       542 1 54 VAL H   1 56 LYS H   4.070 . 5.000 4.583 4.413 4.784     .  0 0 "[    .    1    .    2]" 1 
       543 1 55 GLN HA  1 56 LYS H   3.530 . 5.000 3.577 3.554 3.590     .  0 0 "[    .    1    .    2]" 1 
       544 1 55 GLN QB  1 56 LYS H   3.100 . 4.300 2.316 2.233 2.444     .  0 0 "[    .    1    .    2]" 1 
       545 1 55 GLN QG  1 56 LYS H   3.980 . 6.000 3.619 3.024 4.192     .  0 0 "[    .    1    .    2]" 1 
       546 1 56 LYS H   1 56 LYS HA  2.820 . 3.300 2.904 2.868 2.940     .  0 0 "[    .    1    .    2]" 1 
       547 1 56 LYS H   1 56 LYS QB  2.550 . 3.700 2.230 1.978 2.506     .  0 0 "[    .    1    .    2]" 1 
       548 1 56 LYS H   1 56 LYS QD  2.990 . 4.300 3.443 2.636 3.854     .  0 0 "[    .    1    .    2]" 1 
       549 1 56 LYS H   1 57 LEU QB  3.930 . 6.000 4.699 4.614 4.826     .  0 0 "[    .    1    .    2]" 1 
       550 1 56 LYS H   1 57 LEU MD1 4.390 . 6.000 4.855 4.647 4.969     .  0 0 "[    .    1    .    2]" 1 
       551 1 56 LYS H   1 57 LEU MD2 4.390 . 6.000 4.752 4.529 4.957     .  0 0 "[    .    1    .    2]" 1 
       552 1 56 LYS H   1 57 LEU H   2.630 . 3.300 2.594 2.443 2.682     .  0 0 "[    .    1    .    2]" 1 
       553 1  7 LEU MD1 1 57 LEU H   4.250 . 6.000 4.836 4.790 4.880     .  0 0 "[    .    1    .    2]" 1 
       554 1 28 VAL QG  1 57 LEU H   3.490 . 7.400 3.734 3.347 4.471     .  0 0 "[    .    1    .    2]" 1 
       555 1 52 ALA MB  1 57 LEU H   3.790 . 6.000 4.790 4.427 4.889     .  0 0 "[    .    1    .    2]" 1 
       556 1 54 VAL HA  1 57 LEU H   3.050 . 3.300 3.187 2.691 3.313 0.013 15 0 "[    .    1    .    2]" 1 
       557 1 54 VAL QG  1 57 LEU H   3.500 . 7.400 4.020 3.900 4.178     .  0 0 "[    .    1    .    2]" 1 
       558 1 56 LYS QB  1 57 LEU H   2.910 . 4.300 2.969 2.831 3.151     .  0 0 "[    .    1    .    2]" 1 
       559 1 56 LYS QD  1 57 LEU H   3.850 . 6.000 4.718 2.525 5.018     .  0 0 "[    .    1    .    2]" 1 
       560 1 57 LEU H   1 57 LEU HA  2.820 . 3.300 2.906 2.890 2.930     .  0 0 "[    .    1    .    2]" 1 
       561 1 57 LEU H   1 57 LEU QB  2.650 . 3.700 2.434 2.372 2.501     .  0 0 "[    .    1    .    2]" 1 
       562 1 57 LEU H   1 57 LEU MD1 3.050 . 4.300 3.426 3.340 3.509     .  0 0 "[    .    1    .    2]" 1 
       563 1 57 LEU H   1 57 LEU MD2 3.050 . 4.300 3.198 3.034 3.393     .  0 0 "[    .    1    .    2]" 1 
       564 1 57 LEU H   1 57 LEU HG  2.420 . 2.700 1.950 1.870 2.130 0.030  9 0 "[    .    1    .    2]" 1 
       565 1 57 LEU H   1 58 THR H   2.720 . 3.300 2.703 2.582 2.802     .  0 0 "[    .    1    .    2]" 1 
       566 1  7 LEU MD1 1 58 THR H   3.850 . 6.000 3.350 3.153 3.510     .  0 0 "[    .    1    .    2]" 1 
       567 1  7 LEU MD2 1 58 THR H   3.850 . 6.000 2.554 2.227 2.998     .  0 0 "[    .    1    .    2]" 1 
       568 1 54 VAL HA  1 58 THR H   3.680 . 5.000 3.654 3.000 4.038     .  0 0 "[    .    1    .    2]" 1 
       569 1 54 VAL QG  1 58 THR H   2.420 . 5.100 3.520 3.305 3.946     .  0 0 "[    .    1    .    2]" 1 
       570 1 56 LYS H   1 58 THR H   3.480 . 5.000 4.701 4.612 4.806     .  0 0 "[    .    1    .    2]" 1 
       571 1 57 LEU HA  1 58 THR H   3.330 . 5.000 3.579 3.570 3.587     .  0 0 "[    .    1    .    2]" 1 
       572 1 57 LEU QB  1 58 THR H   2.420 . 3.700 2.043 1.917 2.161     .  0 0 "[    .    1    .    2]" 1 
       573 1 57 LEU HG  1 58 THR H   3.410 . 5.000 3.917 3.821 4.010     .  0 0 "[    .    1    .    2]" 1 
       574 1 58 THR H   1 58 THR HA  2.700 . 3.300 2.839 2.826 2.851     .  0 0 "[    .    1    .    2]" 1 
       575 1 58 THR H   1 58 THR HB  3.370 . 5.000 2.474 2.166 3.518     .  0 0 "[    .    1    .    2]" 1 
       576 1 58 THR H   1 59 LYS H       . . 2.700 2.679 2.626 2.724 0.024 19 0 "[    .    1    .    2]" 1 
       577 1 58 THR H   1 60 ALA MB  3.980 . 6.000 4.760 4.550 4.891     .  0 0 "[    .    1    .    2]" 1 
       578 1 58 THR H   1 60 ALA H   3.480 . 5.000 4.110 3.983 4.206     .  0 0 "[    .    1    .    2]" 1 
       579 1 58 THR H   1 70 VAL QG  3.390 . 7.400 3.751 3.184 4.080     .  0 0 "[    .    1    .    2]" 1 
       580 1 28 VAL QG  1 59 LYS H   4.370 . 7.400 4.631 4.272 5.161     .  0 0 "[    .    1    .    2]" 1 
       581 1 55 GLN QG  1 59 LYS H   4.820 . 6.000 4.878 4.523 5.202     .  0 0 "[    .    1    .    2]" 1 
       582 1 56 LYS HA  1 59 LYS H   3.130 . 3.300 3.385 3.348 3.411 0.111 16 0 "[    .    1    .    2]" 1 
       583 1 57 LEU H   1 59 LYS H   3.430 . 5.000 3.593 3.446 3.756     .  0 0 "[    .    1    .    2]" 1 
       584 1 58 THR HB  1 59 LYS H   3.600 . 5.000 3.008 2.636 4.076     .  0 0 "[    .    1    .    2]" 1 
       585 1 58 THR MG  1 59 LYS H   3.310 . 6.000 3.382 1.882 4.123 0.018  8 0 "[    .    1    .    2]" 1 
       586 1 59 LYS H   1 59 LYS HA  2.540 . 2.700 2.886 2.874 2.902 0.202  2 0 "[    .    1    .    2]" 1 
       587 1 59 LYS H   1 59 LYS QB  2.360 . 3.700 2.110 1.950 2.196     .  0 0 "[    .    1    .    2]" 1 
       588 1 59 LYS H   1 59 LYS QG  3.000 . 4.300 3.818 3.428 3.963     .  0 0 "[    .    1    .    2]" 1 
       589 1 59 LYS H   1 60 ALA H   2.620 . 2.700 2.473 2.381 2.547     .  0 0 "[    .    1    .    2]" 1 
       590 1 59 LYS H   1 62 ALA MB  3.550 . 6.000 4.018 3.872 4.358     .  0 0 "[    .    1    .    2]" 1 
       591 1 28 VAL QG  1 60 ALA H   3.490 . 7.400 3.465 3.200 3.743     .  0 0 "[    .    1    .    2]" 1 
       592 1 56 LYS QD  1 60 ALA H   3.840 . 6.000 5.145 4.302 5.406     .  0 0 "[    .    1    .    2]" 1 
       593 1 57 LEU HA  1 60 ALA H   3.110 . 3.300 3.304 3.198 3.354 0.054  7 0 "[    .    1    .    2]" 1 
       594 1 57 LEU MD2 1 60 ALA H   4.370 . 6.000 4.847 4.743 4.917     .  0 0 "[    .    1    .    2]" 1 
       595 1 59 LYS QB  1 60 ALA H   2.740 . 4.300 2.765 2.599 2.890     .  0 0 "[    .    1    .    2]" 1 
       596 1 60 ALA H   1 60 ALA HA  2.580 . 2.700 2.869 2.853 2.883 0.183  6 0 "[    .    1    .    2]" 1 
       597 1 60 ALA H   1 60 ALA MB  2.280 . 3.700 2.030 1.915 2.146     .  0 0 "[    .    1    .    2]" 1 
       598 1 60 ALA H   1 61 THR MG  3.420 . 6.000 3.495 3.397 3.746     .  0 0 "[    .    1    .    2]" 1 
       599 1 60 ALA H   1 63 ASP QB  4.200 . 6.000 4.758 4.562 5.024     .  0 0 "[    .    1    .    2]" 1 
       600 1 60 ALA H   1 63 ASP H   4.480 . 5.000 4.485 4.339 4.665     .  0 0 "[    .    1    .    2]" 1 
       601 1  7 LEU MD2 1 61 THR H   4.080 . 6.000 3.715 3.499 3.889     .  0 0 "[    .    1    .    2]" 1 
       602 1 28 VAL QG  1 61 THR H   3.880 . 7.400 4.802 4.347 5.392     .  0 0 "[    .    1    .    2]" 1 
       603 1 58 THR H   1 61 THR H   4.100 . 5.000 5.021 4.933 5.081 0.081  5 0 "[    .    1    .    2]" 1 
       604 1 60 ALA MB  1 61 THR H   2.610 . 3.700 2.409 2.228 2.560     .  0 0 "[    .    1    .    2]" 1 
       605 1 60 ALA H   1 61 THR H   2.830 . 3.300 2.629 2.545 2.697     .  0 0 "[    .    1    .    2]" 1 
       606 1 61 THR H   1 61 THR HA  2.720 . 3.300 2.897 2.879 2.910     .  0 0 "[    .    1    .    2]" 1 
       607 1 61 THR H   1 61 THR HB  3.390 . 5.000 2.553 2.390 2.839     .  0 0 "[    .    1    .    2]" 1 
       608 1 61 THR H   1 61 THR MG  2.430 . 3.700 1.845 1.770 2.039 0.130 14 0 "[    .    1    .    2]" 1 
       609 1 61 THR H   1 62 ALA HA  4.220 . 5.000 5.091 5.071 5.125 0.125  9 0 "[    .    1    .    2]" 1 
       610 1 61 THR H   1 62 ALA MB  3.500 . 6.000 3.912 3.813 3.996     .  0 0 "[    .    1    .    2]" 1 
       611 1 61 THR H   1 62 ALA H   2.550 . 2.700 2.368 2.332 2.402     .  0 0 "[    .    1    .    2]" 1 
       612 1 61 THR H   1 63 ASP H   3.870 . 5.000 3.887 3.772 4.053     .  0 0 "[    .    1    .    2]" 1 
       613 1 25 LEU MD1 1 62 ALA H   4.490 . 6.000 4.939 4.753 5.009     .  0 0 "[    .    1    .    2]" 1 
       614 1 59 LYS HA  1 62 ALA H   3.050 . 3.300 3.366 3.328 3.414 0.114 14 0 "[    .    1    .    2]" 1 
       615 1 59 LYS QB  1 62 ALA H   4.010 . 6.000 4.839 4.761 4.923     .  0 0 "[    .    1    .    2]" 1 
       616 1 60 ALA H   1 62 ALA H   3.760 . 5.000 3.659 3.533 3.905     .  0 0 "[    .    1    .    2]" 1 
       617 1 61 THR HA  1 62 ALA H   3.280 . 3.300 3.460 3.439 3.485 0.185 15 0 "[    .    1    .    2]" 1 
       618 1 61 THR HB  1 62 ALA H   3.520 . 5.000 3.860 3.748 4.031     .  0 0 "[    .    1    .    2]" 1 
       619 1 61 THR MG  1 62 ALA H   3.250 . 4.300 1.903 1.823 2.008 0.077 14 0 "[    .    1    .    2]" 1 
       620 1 62 ALA H   1 62 ALA HA  2.700 . 3.300 2.871 2.859 2.886     .  0 0 "[    .    1    .    2]" 1 
       621 1 62 ALA H   1 62 ALA MB  2.280 . 3.700 2.073 1.915 2.162     .  0 0 "[    .    1    .    2]" 1 
       622 1 62 ALA H   1 63 ASP QB  4.070 . 6.000 4.274 4.160 4.497     .  0 0 "[    .    1    .    2]" 1 
       623 1 62 ALA H   1 63 ASP H   2.800 . 3.300 2.552 2.486 2.611     .  0 0 "[    .    1    .    2]" 1 
       624 1 62 ALA H   1 64 ALA MB  3.480 . 6.000 4.286 4.119 4.466     .  0 0 "[    .    1    .    2]" 1 
       625 1 62 ALA H   1 64 ALA H   3.960 . 5.000 3.711 3.622 3.795     .  0 0 "[    .    1    .    2]" 1 
       626 1 62 ALA H   1 66 TYR QB  4.480 . 6.000 5.089 5.006 5.154     .  0 0 "[    .    1    .    2]" 1 
       627 1 62 ALA H   1 68 SER H   3.940 . 5.000 4.271 3.795 4.657     .  0 0 "[    .    1    .    2]" 1 
       628 1 59 LYS QB  1 63 ASP H   4.230 . 6.000 5.146 4.889 5.354     .  0 0 "[    .    1    .    2]" 1 
       629 1 60 ALA HA  1 63 ASP H   2.930 . 3.300 3.372 3.316 3.419 0.119 13 0 "[    .    1    .    2]" 1 
       630 1 59 LYS QG  1 63 ASP H   3.390 . 6.000 4.326 3.942 5.026     .  0 0 "[    .    1    .    2]" 1 
       631 1 61 THR HA  1 63 ASP H   3.930 . 5.000 4.027 3.906 4.144     .  0 0 "[    .    1    .    2]" 1 
       632 1 62 ALA HA  1 63 ASP H   3.310 . 5.000 3.523 3.485 3.546     .  0 0 "[    .    1    .    2]" 1 
       633 1 62 ALA MB  1 63 ASP H   2.510 . 3.700 2.660 2.558 2.763     .  0 0 "[    .    1    .    2]" 1 
       634 1 63 ASP H   1 63 ASP HA  2.690 . 3.300 2.956 2.938 2.963     .  0 0 "[    .    1    .    2]" 1 
       635 1 63 ASP H   1 63 ASP QB  2.400 . 3.700 2.138 1.993 2.267     .  0 0 "[    .    1    .    2]" 1 
       636 1 63 ASP H   1 64 ALA HA  3.890 . 5.000 4.912 4.883 4.978     .  0 0 "[    .    1    .    2]" 1 
       637 1 63 ASP H   1 64 ALA MB  3.360 . 6.000 3.742 3.706 3.820     .  0 0 "[    .    1    .    2]" 1 
       638 1 63 ASP H   1 64 ALA H   2.700 . 3.300 2.291 2.263 2.337     .  0 0 "[    .    1    .    2]" 1 
       639 1 24 ALA MB  1 64 ALA H   3.450 . 6.000 3.482 3.128 4.004     .  0 0 "[    .    1    .    2]" 1 
       640 1 60 ALA HA  1 64 ALA H   3.630 . 5.000 4.527 4.389 4.630     .  0 0 "[    .    1    .    2]" 1 
       641 1 60 ALA MB  1 64 ALA H   3.330 . 6.000 4.956 4.881 5.015     .  0 0 "[    .    1    .    2]" 1 
       642 1 61 THR HA  1 64 ALA H   3.170 . 3.300 3.060 2.971 3.157     .  0 0 "[    .    1    .    2]" 1 
       643 1 61 THR MG  1 64 ALA H   4.160 . 6.000 4.521 4.392 4.666     .  0 0 "[    .    1    .    2]" 1 
       644 1 62 ALA HA  1 64 ALA H   3.570 . 5.000 3.957 3.905 4.058     .  0 0 "[    .    1    .    2]" 1 
       645 1 62 ALA MB  1 64 ALA H   3.730 . 6.000 4.216 4.130 4.300     .  0 0 "[    .    1    .    2]" 1 
       646 1 63 ASP HA  1 64 ALA H   3.260 . 5.000 3.400 3.375 3.428     .  0 0 "[    .    1    .    2]" 1 
       647 1 63 ASP QB  1 64 ALA H   2.950 . 4.300 3.163 3.037 3.657     .  0 0 "[    .    1    .    2]" 1 
       648 1 64 ALA H   1 64 ALA HA  2.690 . 3.300 2.925 2.901 2.942     .  0 0 "[    .    1    .    2]" 1 
       649 1 64 ALA H   1 64 ALA MB  2.320 . 3.700 2.037 1.928 2.184     .  0 0 "[    .    1    .    2]" 1 
       650 1 64 ALA H   1 65 GLY HA3 3.610 . 5.000 5.070 5.024 5.114 0.114  3 0 "[    .    1    .    2]" 1 
       651 1 64 ALA H   1 65 GLY HA2 3.620 . 5.000 4.796 4.767 4.832     .  0 0 "[    .    1    .    2]" 1 
       652 1 64 ALA H   1 65 GLY H   2.580 . 2.700 2.329 2.273 2.384     .  0 0 "[    .    1    .    2]" 1 
       653 1 64 ALA H   1 66 TYR QB  4.700 . 6.000 5.074 5.052 5.107     .  0 0 "[    .    1    .    2]" 1 
       654 1 64 ALA H   1 66 TYR HD2 4.100 . 5.000 4.713 4.495 5.041 0.041 17 0 "[    .    1    .    2]" 1 
       655 1 64 ALA H   1 66 TYR H   3.350 . 5.000 3.584 3.410 3.723     .  0 0 "[    .    1    .    2]" 1 
       656 1 61 THR HA  1 65 GLY H   4.380 . 5.000 4.409 4.284 4.513     .  0 0 "[    .    1    .    2]" 1 
       657 1 62 ALA MB  1 65 GLY H   4.110 . 6.000 4.797 4.672 4.865     .  0 0 "[    .    1    .    2]" 1 
       658 1 63 ASP HA  1 65 GLY H   3.880 . 5.000 3.913 3.791 4.101     .  0 0 "[    .    1    .    2]" 1 
       659 1 63 ASP H   1 65 GLY H   4.120 . 5.000 4.032 3.961 4.119     .  0 0 "[    .    1    .    2]" 1 
       660 1 64 ALA HA  1 65 GLY H   3.400 . 5.000 3.494 3.462 3.523     .  0 0 "[    .    1    .    2]" 1 
       661 1 64 ALA MB  1 65 GLY H   3.280 . 4.300 2.762 2.656 2.860     .  0 0 "[    .    1    .    2]" 1 
       662 1 65 GLY H   1 65 GLY HA3 2.900 . 3.300 2.977 2.964 2.986     .  0 0 "[    .    1    .    2]" 1 
       663 1 65 GLY H   1 65 GLY HA2 2.710 . 3.300 2.613 2.581 2.650     .  0 0 "[    .    1    .    2]" 1 
       664 1 65 GLY H   1 66 TYR QB  4.610 . 6.000 4.105 3.932 4.290     .  0 0 "[    .    1    .    2]" 1 
       665 1 65 GLY H   1 66 TYR HD2 4.090 . 5.000 3.889 3.431 4.162     .  0 0 "[    .    1    .    2]" 1 
       666 1 65 GLY H   1 66 TYR H       . . 2.700 1.857 1.840 1.874 0.060  7 0 "[    .    1    .    2]" 1 
       667 1  9 VAL HB  1 66 TYR QD  3.650 . 5.000 4.423 4.172 4.937     .  0 0 "[    .    1    .    2]" 1 
       668 1  9 VAL QG  1 66 TYR QD  2.490 . 6.100 2.460 2.292 2.619     .  0 0 "[    .    1    .    2]" 1 
       669 1 66 TYR QB  1 66 TYR QD  2.380 . 5.700 2.109 2.103 2.121     .  0 0 "[    .    1    .    2]" 1 
       670 1 11 GLY QA  1 66 TYR HD1 3.510 . 6.000 1.935 1.790 2.096 0.110 18 0 "[    .    1    .    2]" 1 
       671 1 66 TYR HA  1 66 TYR HD1 2.930 . 3.300 2.461 2.345 2.641     .  0 0 "[    .    1    .    2]" 1 
       672 1 20 THR HB  1 66 TYR HD2 3.480 . 5.000 4.355 3.949 4.746     .  0 0 "[    .    1    .    2]" 1 
       673 1 20 THR MG  1 66 TYR HD2 2.610 . 3.700 2.747 1.891 2.934 0.009 17 0 "[    .    1    .    2]" 1 
       674 1 21 VAL HA  1 66 TYR HD2 3.480 . 5.000 3.926 3.648 4.384     .  0 0 "[    .    1    .    2]" 1 
       675 1 21 VAL QG  1 66 TYR HD2 2.500 . 5.100 2.001 1.753 2.471 0.147  9 0 "[    .    1    .    2]" 1 
       676 1 24 ALA MB  1 66 TYR HD2 3.480 . 6.000 4.789 4.556 5.028     .  0 0 "[    .    1    .    2]" 1 
       677 1 61 THR MG  1 66 TYR HD2 3.530 . 6.000 4.753 4.491 5.046     .  0 0 "[    .    1    .    2]" 1 
       678 1 64 ALA MB  1 66 TYR HD2 2.410 . 4.700 2.663 2.437 3.041     .  0 0 "[    .    1    .    2]" 1 
       679 1 65 GLY HA3 1 66 TYR HD2 3.730 . 5.000 4.493 3.978 4.792     .  0 0 "[    .    1    .    2]" 1 
       680 1 66 TYR QB  1 66 TYR QE  3.280 . 4.300 3.911 3.905 3.918     .  0 0 "[    .    1    .    2]" 1 
       681 1  9 VAL QG  1 66 TYR HE2 3.050 . 5.700 3.839 3.763 3.929     .  0 0 "[    .    1    .    2]" 1 
       682 1 20 THR HA  1 66 TYR HE2 3.650 . 5.000 4.671 4.397 4.993     .  0 0 "[    .    1    .    2]" 1 
       683 1 20 THR HB  1 66 TYR HE2 2.660 . 2.700 2.128 1.875 2.557 0.025 10 0 "[    .    1    .    2]" 1 
       684 1 20 THR MG  1 66 TYR HE2 2.100 . 3.700 1.821 1.756 1.876 0.144 13 0 "[    .    1    .    2]" 1 
       685 1 21 VAL QG  1 66 TYR HE2 2.790 . 5.700 2.713 2.100 3.436     .  0 0 "[    .    1    .    2]" 1 
       686 1 64 ALA MB  1 66 TYR HE2 2.850 . 5.300 3.134 2.688 3.930     .  0 0 "[    .    1    .    2]" 1 
       687 1  9 VAL QG  1 66 TYR H   4.310 . 7.400 4.404 4.255 4.556     .  0 0 "[    .    1    .    2]" 1 
       688 1 21 VAL QG  1 66 TYR H   4.450 . 7.400 4.458 4.011 4.995     .  0 0 "[    .    1    .    2]" 1 
       689 1 62 ALA HA  1 66 TYR H   2.710 . 3.300 2.906 2.677 3.101     .  0 0 "[    .    1    .    2]" 1 
       690 1 62 ALA MB  1 66 TYR H   3.720 . 6.000 4.454 4.265 4.603     .  0 0 "[    .    1    .    2]" 1 
       691 1 63 ASP HA  1 66 TYR H   4.250 . 5.000 5.040 4.866 5.091 0.091 20 0 "[    .    1    .    2]" 1 
       692 1 63 ASP H   1 66 TYR H   4.260 . 5.000 4.747 4.625 4.836     .  0 0 "[    .    1    .    2]" 1 
       693 1 64 ALA MB  1 66 TYR H   3.280 . 6.000 3.581 3.410 3.801     .  0 0 "[    .    1    .    2]" 1 
       694 1 65 GLY HA3 1 66 TYR H   3.220 . 5.000 3.507 3.461 3.551     .  0 0 "[    .    1    .    2]" 1 
       695 1 65 GLY HA2 1 66 TYR H   3.020 . 3.300 3.106 2.985 3.214     .  0 0 "[    .    1    .    2]" 1 
       696 1 66 TYR H   1 66 TYR QB  3.240 . 4.300 2.740 2.638 2.816     .  0 0 "[    .    1    .    2]" 1 
       697 1 66 TYR H   1 66 TYR HD2 2.880 . 3.300 3.384 3.349 3.419 0.119 11 0 "[    .    1    .    2]" 1 
       698 1 66 TYR H   1 68 SER QB  3.600 . 6.000 4.962 4.809 5.292     .  0 0 "[    .    1    .    2]" 1 
       699 1  9 VAL HA  1 68 SER HA  2.490 . 2.700 2.768 2.719 2.843 0.143  9 0 "[    .    1    .    2]" 1 
       700 1  9 VAL HA  1 68 SER H   4.080 . 5.000 4.600 4.415 4.743     .  0 0 "[    .    1    .    2]" 1 
       701 1  9 VAL QG  1 68 SER H   4.280 . 7.400 4.989 4.494 5.252     .  0 0 "[    .    1    .    2]" 1 
       702 1 61 THR MG  1 68 SER H   3.660 . 6.000 3.215 2.685 3.702     .  0 0 "[    .    1    .    2]" 1 
       703 1 62 ALA HA  1 68 SER H   3.780 . 5.000 2.922 2.648 3.178     .  0 0 "[    .    1    .    2]" 1 
       704 1 62 ALA MB  1 68 SER H   3.460 . 6.000 2.670 2.253 3.059     .  0 0 "[    .    1    .    2]" 1 
       705 1 66 TYR QB  1 68 SER H   3.240 . 6.000 4.216 4.058 4.341     .  0 0 "[    .    1    .    2]" 1 
       706 1 66 TYR H   1 68 SER H   4.850 . 5.000 5.002 4.778 5.056 0.056 18 0 "[    .    1    .    2]" 1 
       707 1 68 SER H   1 68 SER QB  3.610 . 6.000 2.250 2.084 2.617     .  0 0 "[    .    1    .    2]" 1 
       708 1 68 SER H   1 69 SER H   4.230 . 5.000 4.422 4.376 4.484     .  0 0 "[    .    1    .    2]" 1 
       709 1  7 LEU HA  1 69 SER H   3.540 . 5.000 4.281 4.180 4.368     .  0 0 "[    .    1    .    2]" 1 
       710 1  7 LEU QB  1 69 SER H   3.770 . 7.000 4.171 3.918 4.361     .  0 0 "[    .    1    .    2]" 1 
       711 1  7 LEU MD1 1 69 SER H   3.780 . 6.000 4.741 4.613 4.856     .  0 0 "[    .    1    .    2]" 1 
       712 1  7 LEU HG  1 69 SER H   3.450 . 5.000 3.847 3.555 4.184     .  0 0 "[    .    1    .    2]" 1 
       713 1  8 ALA MB  1 69 SER H   2.960 . 5.300 2.505 2.239 2.686     .  0 0 "[    .    1    .    2]" 1 
       714 1  9 VAL QG  1 69 SER H   4.290 . 7.400 4.912 4.442 5.005     .  0 0 "[    .    1    .    2]" 1 
       715 1 68 SER HA  1 69 SER H   2.430 . 2.700 2.665 2.558 2.719 0.019 19 0 "[    .    1    .    2]" 1 
       716 1 68 SER QB  1 69 SER H   2.870 . 4.300 2.546 1.856 3.064 0.044 16 0 "[    .    1    .    2]" 1 
       717 1 69 SER H   1 69 SER HA  2.900 . 3.300 2.956 2.934 2.980     .  0 0 "[    .    1    .    2]" 1 
       718 1 69 SER H   1 69 SER QB  2.480 . 3.700 2.722 2.484 3.265     .  0 0 "[    .    1    .    2]" 1 
       719 1 69 SER H   1 70 VAL HA  3.720 . 5.000 4.463 4.418 4.525     .  0 0 "[    .    1    .    2]" 1 
       720 1 69 SER H   1 70 VAL HB  4.450 . 5.000 5.176 5.119 5.226 0.226 11 0 "[    .    1    .    2]" 1 
       721 1 69 SER H   1 70 VAL QG  4.060 . 7.400 5.070 5.043 5.099     .  0 0 "[    .    1    .    2]" 1 
       722 1 69 SER H   1 70 VAL H   3.900 . 5.000 4.260 4.194 4.308     .  0 0 "[    .    1    .    2]" 1 
       723 1  7 LEU MD1 1 70 VAL H   3.440 . 6.000 4.238 4.127 4.348     .  0 0 "[    .    1    .    2]" 1 
       724 1  8 ALA H   1 70 VAL H   4.320 . 5.000 4.347 4.217 4.492     .  0 0 "[    .    1    .    2]" 1 
       725 1 58 THR MG  1 70 VAL H   3.300 . 6.000 3.865 3.082 4.796     .  0 0 "[    .    1    .    2]" 1 
       726 1 69 SER HA  1 70 VAL H   2.350 . 2.700 2.817 2.774 2.859 0.159 15 0 "[    .    1    .    2]" 1 
       727 1 69 SER QB  1 70 VAL H   2.530 . 3.700 2.180 1.839 2.777 0.061 20 0 "[    .    1    .    2]" 1 
       728 1 70 VAL H   1 70 VAL HA  2.910 . 3.300 2.970 2.960 2.977     .  0 0 "[    .    1    .    2]" 1 
       729 1 70 VAL H   1 70 VAL HB  2.390 . 2.700 2.846 2.816 2.899 0.199 10 0 "[    .    1    .    2]" 1 
       730 1 70 VAL H   1 70 VAL QG  2.370 . 5.100 2.243 2.136 2.321     .  0 0 "[    .    1    .    2]" 1 
       731 1 70 VAL H   1 71 LYS HA  4.580 . 5.000 4.786 4.734 4.818     .  0 0 "[    .    1    .    2]" 1 
       732 1  5 VAL HA  1 71 LYS H   3.930 . 4.930 5.141 5.079 5.216 0.286  2 0 "[    .    1    .    2]" 1 
       733 1 70 VAL H   1 71 LYS H   3.200 . 5.000 4.471 4.430 4.494     .  0 0 "[    .    1    .    2]" 1 
       734 1  7 LEU HA  1 71 LYS H   2.780 . 3.300 3.309 3.153 3.347 0.047  4 0 "[    .    1    .    2]" 1 
       735 1  7 LEU MD1 1 71 LYS H   3.180 . 4.300 2.863 2.763 2.952     .  0 0 "[    .    1    .    2]" 1 
       736 1  7 LEU HG  1 71 LYS H   4.120 . 5.000 5.160 5.093 5.197 0.197 10 0 "[    .    1    .    2]" 1 
       737 1  7 LEU H   1 71 LYS H   4.400 . 5.000 4.904 4.662 4.998     .  0 0 "[    .    1    .    2]" 1 
       738 1 70 VAL HA  1 71 LYS H   2.170 . 2.700 2.361 2.305 2.407     .  0 0 "[    .    1    .    2]" 1 
       739 1 70 VAL HB  1 71 LYS H   3.470 . 5.000 4.138 4.021 4.233     .  0 0 "[    .    1    .    2]" 1 
       740 1 70 VAL QG  1 71 LYS H   2.470 . 5.100 1.979 1.828 2.115 0.072 10 0 "[    .    1    .    2]" 1 
       741 1 71 LYS H   1 71 LYS HA  2.800 . 3.300 3.004 3.000 3.008     .  0 0 "[    .    1    .    2]" 1 
       742 1 71 LYS H   1 71 LYS QB  2.740 . 4.300 2.847 2.489 3.130     .  0 0 "[    .    1    .    2]" 1 
       743 1 71 LYS H   1 72 GLN H   3.340 . 5.000 2.344 2.205 2.883     .  0 0 "[    .    1    .    2]" 1 
       744 1  5 VAL HA  1 72 GLN H   3.750 . 5.000 5.061 4.879 5.175 0.175 12 0 "[    .    1    .    2]" 1 
       745 1 70 VAL HA  1 72 GLN H   3.550 . 5.000 4.005 3.908 4.414     .  0 0 "[    .    1    .    2]" 1 
       746 1 70 VAL QG  1 72 GLN H   3.170 . 7.500 2.085 1.964 2.355     .  0 0 "[    .    1    .    2]" 1 
       747 1 70 VAL H   1 72 GLN H   4.110 . 5.000 5.108 5.046 5.207 0.207 12 0 "[    .    1    .    2]" 1 
       748 1 71 LYS HA  1 72 GLN H   2.160 . 2.700 2.915 2.652 3.024 0.324  1 0 "[    .    1    .    2]" 1 
       749 1 71 LYS QB  1 72 GLN H   3.290 . 6.000 3.729 3.592 4.025     .  0 0 "[    .    1    .    2]" 1 
       750 1 71 LYS QD  1 72 GLN H   3.290 . 6.000 5.490 5.419 5.582     .  0 0 "[    .    1    .    2]" 1 
       751 1 71 LYS QG  1 72 GLN H   2.990 . 4.300 3.941 3.624 4.104     .  0 0 "[    .    1    .    2]" 1 
       752 1 72 GLN H   1 72 GLN QB  3.280 . 4.300 2.644 2.079 3.260     .  0 0 "[    .    1    .    2]" 1 
       753 1 72 GLN H   1 72 GLN QG  2.980 . 4.300 2.999 2.086 3.999     .  0 0 "[    .    1    .    2]" 1 
    stop_

save_


save_distance_constraint_statistics_2
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            2
    _Distance_constraint_stats_list.Constraint_count              56
    _Distance_constraint_stats_list.Viol_count                    248
    _Distance_constraint_stats_list.Viol_total                    281.663
    _Distance_constraint_stats_list.Viol_max                      0.193
    _Distance_constraint_stats_list.Viol_rms                      0.0309
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0126
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0568
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       .

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

       1  1 ALA 2.389 0.193  3 0 "[    .    1    .    2]" 
       1  3 GLN 2.136 0.169 16 0 "[    .    1    .    2]" 
       1  5 VAL 0.257 0.072 12 0 "[    .    1    .    2]" 
       1  6 THR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  7 LEU 0.013 0.013 13 0 "[    .    1    .    2]" 
       1  8 ALA 0.447 0.063 12 0 "[    .    1    .    2]" 
       1 19 ILE 1.473 0.081 11 0 "[    .    1    .    2]" 
       1 20 THR 0.222 0.073  9 0 "[    .    1    .    2]" 
       1 21 VAL 0.257 0.088 20 0 "[    .    1    .    2]" 
       1 22 LYS 0.959 0.145  8 0 "[    .    1    .    2]" 
       1 23 LYS 3.018 0.146 17 0 "[    .    1    .    2]" 
       1 24 ALA 1.009 0.146 17 0 "[    .    1    .    2]" 
       1 25 LEU 0.257 0.088 20 0 "[    .    1    .    2]" 
       1 26 SER 0.959 0.145  8 0 "[    .    1    .    2]" 
       1 27 LYS 1.545 0.146 17 0 "[    .    1    .    2]" 
       1 28 VAL 0.787 0.146 17 0 "[    .    1    .    2]" 
       1 33 LYS 1.108 0.130 12 0 "[    .    1    .    2]" 
       1 35 ASP 0.246 0.070 11 0 "[    .    1    .    2]" 
       1 37 GLY 0.209 0.056 19 0 "[    .    1    .    2]" 
       1 42 GLU 0.209 0.056 19 0 "[    .    1    .    2]" 
       1 43 ALA 0.013 0.013 13 0 "[    .    1    .    2]" 
       1 44 VAL 0.246 0.070 11 0 "[    .    1    .    2]" 
       1 45 VAL 0.257 0.072 12 0 "[    .    1    .    2]" 
       1 46 THR 1.108 0.130 12 0 "[    .    1    .    2]" 
       1 47 PHE 2.136 0.169 16 0 "[    .    1    .    2]" 
       1 49 ASP 2.389 0.193  3 0 "[    .    1    .    2]" 
       1 56 LYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 57 LEU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 58 THR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 59 LYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 60 ALA 0.203 0.031 17 0 "[    .    1    .    2]" 
       1 61 THR 1.830 0.135  5 0 "[    .    1    .    2]" 
       1 62 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 63 ASP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 64 ALA 0.203 0.031 17 0 "[    .    1    .    2]" 
       1 65 GLY 1.830 0.135  5 0 "[    .    1    .    2]" 
       1 69 SER 0.447 0.063 12 0 "[    .    1    .    2]" 
       1 71 LYS 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 19 ILE O 1 23 LYS H 1.900     . 2.300 2.360 2.330 2.381 0.081 11 0 "[    .    1    .    2]" 2 
        2 1 20 THR O 1 24 ALA H 1.900     . 2.300 2.268 2.120 2.373 0.073  9 0 "[    .    1    .    2]" 2 
        3 1 21 VAL O 1 25 LEU H 1.900     . 2.300 2.215 2.098 2.388 0.088 20 0 "[    .    1    .    2]" 2 
        4 1 22 LYS O 1 26 SER H 1.900     . 2.300 2.346 2.272 2.445 0.145  8 0 "[    .    1    .    2]" 2 
        5 1 23 LYS O 1 27 LYS H 1.900     . 2.300 2.372 2.192 2.446 0.146 17 0 "[    .    1    .    2]" 2 
        6 1 24 ALA O 1 28 VAL H 1.900     . 2.300 2.337 2.249 2.446 0.146 17 0 "[    .    1    .    2]" 2 
        7 1 33 LYS H 1 46 THR O 1.900     . 2.300 2.352 2.313 2.430 0.130 12 0 "[    .    1    .    2]" 2 
        8 1 35 ASP H 1 44 VAL O 1.900     . 2.300 2.138 2.064 2.331 0.031 17 0 "[    .    1    .    2]" 2 
        9 1 37 GLY H 1 42 GLU O 1.900     . 2.300 2.195 2.059 2.331 0.031 17 0 "[    .    1    .    2]" 2 
       10 1  3 GLN H 1 47 PHE O 1.900     . 2.300 2.400 2.323 2.469 0.169 16 0 "[    .    1    .    2]" 2 
       11 1 37 GLY O 1 42 GLU H 1.900     . 2.300 2.251 2.124 2.356 0.056 19 0 "[    .    1    .    2]" 2 
       12 1  7 LEU O 1 43 ALA H 1.900     . 2.300 2.155 2.077 2.313 0.013 13 0 "[    .    1    .    2]" 2 
       13 1 35 ASP O 1 44 VAL H 1.900     . 2.300 2.236 2.087 2.370 0.070 11 0 "[    .    1    .    2]" 2 
       14 1  5 VAL O 1 45 VAL H 1.900     . 2.300 2.063 2.016 2.158     .  0 0 "[    .    1    .    2]" 2 
       15 1 33 LYS O 1 46 THR H 1.900     . 2.300 2.073 2.014 2.189     .  0 0 "[    .    1    .    2]" 2 
       16 1  3 GLN O 1 47 PHE H 1.900     . 2.300 2.176 2.068 2.382 0.082 18 0 "[    .    1    .    2]" 2 
       17 1  5 VAL H 1 45 VAL O 1.900     . 2.300 2.204 2.032 2.372 0.072 12 0 "[    .    1    .    2]" 2 
       18 1 56 LYS O 1 60 ALA H 1.900     . 2.300 2.090 2.046 2.248     .  0 0 "[    .    1    .    2]" 2 
       19 1 57 LEU O 1 61 THR H 1.900     . 2.300 2.152 2.081 2.246     .  0 0 "[    .    1    .    2]" 2 
       20 1 58 THR O 1 62 ALA H 1.900     . 2.300 2.101 2.076 2.191     .  0 0 "[    .    1    .    2]" 2 
       21 1 59 LYS O 1 63 ASP H 1.900     . 2.300 2.076 2.053 2.100     .  0 0 "[    .    1    .    2]" 2 
       22 1 60 ALA O 1 64 ALA H 1.900     . 2.300 2.305 2.270 2.331 0.031 17 0 "[    .    1    .    2]" 2 
       23 1 61 THR O 1 65 GLY H 1.900     . 2.300 2.391 2.359 2.435 0.135  5 0 "[    .    1    .    2]" 2 
       24 1  8 ALA O 1 69 SER H 1.900     . 2.300 2.298 2.164 2.363 0.063 12 0 "[    .    1    .    2]" 2 
       25 1  6 THR O 1 71 LYS H 1.900     . 2.300 2.110 2.064 2.244     .  0 0 "[    .    1    .    2]" 2 
       26 1  7 LEU H 1 43 ALA O 1.900     . 2.300 1.997 1.950 2.042     .  0 0 "[    .    1    .    2]" 2 
       27 1  8 ALA H 1 69 SER O 1.900     . 2.300 2.089 2.045 2.144     .  0 0 "[    .    1    .    2]" 2 
       28 1  1 ALA O 1 49 ASP H 1.900     . 2.300 2.419 2.339 2.493 0.193  3 0 "[    .    1    .    2]" 2 
       29 1 19 ILE O 1 23 LYS N 2.850 2.400 3.300 3.305 3.246 3.339 0.039  1 0 "[    .    1    .    2]" 2 
       30 1 20 THR O 1 24 ALA N 2.850 2.400 3.300 2.915 2.508 3.166     .  0 0 "[    .    1    .    2]" 2 
       31 1 21 VAL O 1 25 LEU N 2.850 2.400 3.300 3.141 3.039 3.303 0.003 20 0 "[    .    1    .    2]" 2 
       32 1 22 LYS O 1 26 SER N 2.850 2.400 3.300 3.165 3.001 3.246     .  0 0 "[    .    1    .    2]" 2 
       33 1 23 LYS O 1 27 LYS N 2.850 2.400 3.300 3.083 2.844 3.272     .  0 0 "[    .    1    .    2]" 2 
       34 1 24 ALA O 1 28 VAL N 2.850 2.400 3.300 2.860 2.676 3.179     .  0 0 "[    .    1    .    2]" 2 
       35 1 33 LYS N 1 46 THR O 2.850 2.400 3.300 3.248 3.155 3.334 0.034 19 0 "[    .    1    .    2]" 2 
       36 1 35 ASP N 1 44 VAL O 2.850 2.400 3.300 2.685 2.469 2.913     .  0 0 "[    .    1    .    2]" 2 
       37 1 37 GLY N 1 42 GLU O 2.850 2.400 3.300 2.910 2.598 3.034     .  0 0 "[    .    1    .    2]" 2 
       38 1  3 GLN N 1 47 PHE O 2.850 2.400 3.300 3.025 2.668 3.181     .  0 0 "[    .    1    .    2]" 2 
       39 1 37 GLY O 1 42 GLU N 2.850 2.400 3.300 3.179 3.033 3.295     .  0 0 "[    .    1    .    2]" 2 
       40 1  7 LEU O 1 43 ALA N 2.850 2.400 3.300 2.921 2.796 3.078     .  0 0 "[    .    1    .    2]" 2 
       41 1 35 ASP O 1 44 VAL N 2.850 2.400 3.300 3.022 2.778 3.240     .  0 0 "[    .    1    .    2]" 2 
       42 1  5 VAL O 1 45 VAL N 2.850 2.400 3.300 2.963 2.864 3.079     .  0 0 "[    .    1    .    2]" 2 
       43 1 33 LYS O 1 46 THR N 2.850 2.400 3.300 2.933 2.554 3.078     .  0 0 "[    .    1    .    2]" 2 
       44 1  3 GLN O 1 47 PHE N 2.850 2.400 3.300 2.996 2.846 3.244     .  0 0 "[    .    1    .    2]" 2 
       45 1  5 VAL N 1 45 VAL O 2.850 2.400 3.300 3.092 2.922 3.292     .  0 0 "[    .    1    .    2]" 2 
       46 1 56 LYS O 1 60 ALA N 2.850 2.400 3.300 2.827 2.731 2.926     .  0 0 "[    .    1    .    2]" 2 
       47 1 57 LEU O 1 61 THR N 2.850 2.400 3.300 3.102 3.044 3.190     .  0 0 "[    .    1    .    2]" 2 
       48 1 58 THR O 1 62 ALA N 2.850 2.400 3.300 2.887 2.789 2.963     .  0 0 "[    .    1    .    2]" 2 
       49 1 59 LYS O 1 63 ASP N 2.850 2.400 3.300 2.824 2.734 2.930     .  0 0 "[    .    1    .    2]" 2 
       50 1 60 ALA O 1 64 ALA N 2.850 2.400 3.300 2.876 2.779 2.990     .  0 0 "[    .    1    .    2]" 2 
       51 1 61 THR O 1 65 GLY N 2.850 2.400 3.300 3.193 3.107 3.249     .  0 0 "[    .    1    .    2]" 2 
       52 1  8 ALA O 1 69 SER N 2.850 2.400 3.300 3.026 2.969 3.086     .  0 0 "[    .    1    .    2]" 2 
       53 1  6 THR O 1 71 LYS N 2.850 2.400 3.300 3.036 2.963 3.172     .  0 0 "[    .    1    .    2]" 2 
       54 1  7 LEU N 1 43 ALA O 2.850 2.400 3.300 2.619 2.567 2.682     .  0 0 "[    .    1    .    2]" 2 
       55 1  8 ALA N 1 69 SER O 2.850 2.400 3.300 3.041 2.984 3.097     .  0 0 "[    .    1    .    2]" 2 
       56 1  1 ALA O 1 49 ASP N 2.850 2.400 3.300 3.147 2.850 3.313 0.013 18 0 "[    .    1    .    2]" 2 
    stop_

save_



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