NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype subsubtype
653277 6l95 cing 4-filtered-FRED Wattos check violation distance


data_6l95


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              262
    _Distance_constraint_stats_list.Viol_count                    955
    _Distance_constraint_stats_list.Viol_total                    2148.891
    _Distance_constraint_stats_list.Viol_max                      1.124
    _Distance_constraint_stats_list.Viol_rms                      0.0922
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0365
    _Distance_constraint_stats_list.Viol_average_violations_only  0.1500
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       
;
Description of the tags in this list:
*  1 * Administrative tag
*  2 * Administrative tag
*  3 * Administrative tag
*  4 * ID of the restraint list.                                                              
*  5 * Number of restraints in list.                                                          
*  6 * Number of violated restraints (each model violation is used).                          
*  7 * Sum of violations in Angstrom.                                                         
*  8 * Maximum violation of a restraint without averaging in any way.                         
*  9 * Rms of violations over all restraints.                                                 
*  10 * Average violation over all restraints.                                                 
*  11 * Average violation over violated restraints.                                            
           This violation is averaged over only those models in which the restraint is violated.   
           These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).     
*  12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
*  13 * This tag                                                                               

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

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


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

       1  5 TRP  0.259 0.155 13 0 "[    .    1    .]" 
       1  6 GLN  0.807 0.213 14 0 "[    .    1    .]" 
       1  7 THR  1.835 0.379  6 0 "[    .    1    .]" 
       1  8 VAL  6.386 0.379  6 0 "[    .    1    .]" 
       1  9 THR  3.485 0.367 12 0 "[    .    1    .]" 
       1 10 ILE  6.394 0.566  6 1 "[    .+   1    .]" 
       1 11 PHE  7.211 0.434  2 0 "[    .    1    .]" 
       1 12 VAL  7.943 0.434  2 0 "[    .    1    .]" 
       1 13 ALA  8.397 0.404  2 0 "[    .    1    .]" 
       1 14 GLY  5.817 0.566  6 1 "[    .+   1    .]" 
       1 15 VAL  5.169 0.289 12 0 "[    .    1    .]" 
       1 16 LEU  4.977 0.259 12 0 "[    .    1    .]" 
       1 17 THR  4.867 0.296  5 0 "[    .    1    .]" 
       1 18 ALA  8.242 0.487  3 0 "[    .    1    .]" 
       1 19 SER 11.438 0.468 15 0 "[    .    1    .]" 
       1 20 LEU 19.762 0.431 14 0 "[    .    1    .]" 
       1 21 THR 12.789 0.694 15 1 "[    .    1    +]" 
       1 22 ILE 14.588 0.694 15 1 "[    .    1    +]" 
       1 23 TRP  3.991 0.257 10 0 "[    .    1    .]" 
       1 24 LYS  0.060 0.037  1 0 "[    .    1    .]" 
       1 25 LYS  2.843 0.339  5 0 "[    .    1    .]" 
       1 26 MET  3.217 0.469 14 0 "[    .    1    .]" 
       1 27 GLY  4.272 0.469 14 0 "[    .    1    .]" 
       2  5 TRP  0.088 0.032 14 0 "[    .    1    .]" 
       2  6 GLN  0.334 0.086  7 0 "[    .    1    .]" 
       2  7 THR  2.991 0.431 11 0 "[    .    1    .]" 
       2  8 VAL  8.466 0.431 11 0 "[    .    1    .]" 
       2  9 THR  5.054 0.357  9 0 "[    .    1    .]" 
       2 10 ILE  4.037 0.270 11 0 "[    .    1    .]" 
       2 11 PHE  5.709 0.270 11 0 "[    .    1    .]" 
       2 12 VAL  6.134 0.333 10 0 "[    .    1    .]" 
       2 13 ALA  7.386 0.638 13 1 "[    .    1  + .]" 
       2 14 GLY  6.189 0.836  3 1 "[  + .    1    .]" 
       2 15 VAL  6.577 0.836  3 1 "[  + .    1    .]" 
       2 16 LEU  4.556 0.638 13 1 "[    .    1  + .]" 
       2 17 THR  5.347 0.482 13 0 "[    .    1    .]" 
       2 18 ALA  2.679 0.242  3 0 "[    .    1    .]" 
       2 19 SER 12.302 0.913 12 3 "[    .    - + *.]" 
       2 20 LEU 19.414 0.913 12 3 "[    .    - + *.]" 
       2 21 THR 14.323 0.412 14 0 "[    .    1    .]" 
       2 22 ILE 17.167 1.124  8 1 "[    .  + 1    .]" 
       2 23 TRP  6.387 1.124  8 1 "[    .  + 1    .]" 
       2 24 LYS  0.005 0.005  7 0 "[    .    1    .]" 
       2 25 LYS  1.956 0.351 15 0 "[    .    1    .]" 
       2 26 MET  2.387 0.469  9 0 "[    .    1    .]" 
       2 27 GLY  2.284 0.469  9 0 "[    .    1    .]" 
    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  5 TRP HA  1  8 VAL MG2 2.500     . 3.000 2.151 1.960 2.505 0.040  4 0 "[    .    1    .]" 1 
         2 1  5 TRP HD1 1  8 VAL MG1 4.000 3.000 5.000 4.222 3.460 4.992     .  0 0 "[    .    1    .]" 1 
         3 1  5 TRP HD1 1  8 VAL MG2 3.000     . 4.000 2.975 2.161 4.155 0.155 13 0 "[    .    1    .]" 1 
         4 1  6 GLN HA  1  8 VAL MG2 4.800 4.300 5.300 4.655 4.087 5.470 0.213 14 0 "[    .    1    .]" 1 
         5 1  7 THR H   1  8 VAL H   2.700 2.200 3.200 2.689 2.525 2.880     .  0 0 "[    .    1    .]" 1 
         6 1  7 THR H   1  8 VAL MG1 4.500 3.500 5.500 4.864 4.285 5.879 0.379  6 0 "[    .    1    .]" 1 
         7 1  7 THR HA  1  8 VAL H   4.000 3.500 4.500 3.558 3.513 3.590     .  0 0 "[    .    1    .]" 1 
         8 1  7 THR HA  1  8 VAL MG2 4.400 3.400 5.400 4.938 4.825 5.045     .  0 0 "[    .    1    .]" 1 
         9 1  8 VAL H   1  9 THR H   2.700 2.200 3.200 2.681 2.631 2.753     .  0 0 "[    .    1    .]" 1 
        10 1  8 VAL MG1 1  9 THR H   4.500 4.000 5.000 3.871 3.667 4.026 0.333 13 0 "[    .    1    .]" 1 
        11 1  8 VAL MG2 1  9 THR H   2.500     . 3.300 2.550 1.966 3.667 0.367 12 0 "[    .    1    .]" 1 
        12 1  9 THR H   1 10 ILE H   3.000 2.500 3.500 2.792 2.751 2.885     .  0 0 "[    .    1    .]" 1 
        13 1 10 ILE H   1 11 PHE QB  5.000 4.500 5.500 4.402 4.335 4.500 0.165  3 0 "[    .    1    .]" 1 
        14 1 10 ILE HA  1 12 VAL H   4.000 3.500 4.500 4.548 4.382 4.652 0.152 12 0 "[    .    1    .]" 1 
        15 1 10 ILE HA  1 13 ALA H   3.500 3.000 4.000 3.435 3.136 3.628     .  0 0 "[    .    1    .]" 1 
        16 1 10 ILE MD  1 13 ALA MB  3.600 3.100 4.100 3.383 3.011 4.305 0.205  9 0 "[    .    1    .]" 1 
        17 1 10 ILE QG  1 11 PHE H   4.000 3.500 4.500 4.026 3.767 4.586 0.086 11 0 "[    .    1    .]" 1 
        18 1 10 ILE QG  1 14 GLY H   4.500 3.500 5.500 4.497 4.098 6.066 0.566  6 1 "[    .+   1    .]" 1 
        19 1 10 ILE QG  2 11 PHE H   4.000 3.000 5.000 4.469 3.573 5.202 0.202  6 0 "[    .    1    .]" 1 
        20 1 10 ILE MG  1 11 PHE H   2.500     . 3.000 2.189 1.922 3.389 0.389  6 0 "[    .    1    .]" 1 
        21 1 10 ILE MG  2 11 PHE H   4.000 3.000 5.000 4.246 2.929 4.743 0.071  6 0 "[    .    1    .]" 1 
        22 1 10 ILE MG  2 11 PHE HA  3.000     . 4.000 3.915 2.298 4.225 0.225  1 0 "[    .    1    .]" 1 
        23 1 11 PHE H   1 12 VAL H   3.000 2.500 3.500 2.753 2.669 2.849     .  0 0 "[    .    1    .]" 1 
        24 1 11 PHE H   1 12 VAL MG2 4.000 3.000 5.000 4.123 3.732 4.320     .  0 0 "[    .    1    .]" 1 
        25 1 11 PHE H   2 10 ILE QG  4.000 3.000 5.000 4.431 3.478 5.263 0.263 15 0 "[    .    1    .]" 1 
        26 1 11 PHE H   2 10 ILE MG  4.000 3.000 5.000 4.191 2.843 4.717 0.157 15 0 "[    .    1    .]" 1 
        27 1 11 PHE HA  1 14 GLY H   3.500 3.000 4.000 3.655 3.482 3.815     .  0 0 "[    .    1    .]" 1 
        28 1 11 PHE HA  2 10 ILE MG  3.000     . 4.000 3.878 2.284 4.217 0.217  2 0 "[    .    1    .]" 1 
        29 1 11 PHE QB  1 12 VAL H   3.000 2.500 3.500 2.466 2.400 2.551 0.100  3 0 "[    .    1    .]" 1 
        30 1 11 PHE QD  1 12 VAL H   4.500 4.000 5.000 4.049 3.744 4.458 0.256  7 0 "[    .    1    .]" 1 
        31 1 11 PHE QD  1 13 ALA H   5.200 4.200 6.200 5.644 5.354 6.072     .  0 0 "[    .    1    .]" 1 
        32 1 11 PHE QD  2 14 GLY H   5.000 4.000 6.000 4.763 4.354 5.114     .  0 0 "[    .    1    .]" 1 
        33 1 11 PHE HD1 1 12 VAL MG2 4.500 3.000 6.000 4.973 3.820 6.434 0.434  2 0 "[    .    1    .]" 1 
        34 1 11 PHE HD1 2 14 GLY H   5.000 4.500 5.500 5.168 4.476 5.571 0.071  8 0 "[    .    1    .]" 1 
        35 1 11 PHE HE2 2 13 ALA MB  4.000 3.000 5.000 3.843 2.963 5.055 0.055  7 0 "[    .    1    .]" 1 
        36 1 11 PHE HZ  2 17 THR MG  4.500 3.500 5.500 3.915 3.427 4.951 0.073 13 0 "[    .    1    .]" 1 
        37 1 12 VAL H   1 13 ALA H   3.000 2.500 3.500 2.660 2.569 2.760     .  0 0 "[    .    1    .]" 1 
        38 1 12 VAL H   1 13 ALA MB  4.500 4.000 5.000 4.334 4.234 4.428     .  0 0 "[    .    1    .]" 1 
        39 1 12 VAL HA  1 13 ALA H   3.500 3.000 4.000 3.553 3.521 3.569     .  0 0 "[    .    1    .]" 1 
        40 1 12 VAL HB  1 13 ALA H   4.000 3.000 5.000 3.001 2.716 3.787 0.284  5 0 "[    .    1    .]" 1 
        41 1 12 VAL MG1 1 13 ALA H   3.000 2.500 3.500 3.632 3.505 3.904 0.404  2 0 "[    .    1    .]" 1 
        42 1 13 ALA H   1 14 GLY H   3.000 2.500 3.500 2.719 2.616 2.792     .  0 0 "[    .    1    .]" 1 
        43 1 13 ALA HA  1 14 GLY H   3.600 3.100 4.100 3.555 3.534 3.572     .  0 0 "[    .    1    .]" 1 
        44 1 13 ALA HA  1 16 LEU H   4.000 3.500 4.000 3.553 3.363 3.829 0.137  3 0 "[    .    1    .]" 1 
        45 1 13 ALA HA  1 16 LEU MD1 3.500 3.000 4.000 3.971 3.388 4.252 0.252  3 0 "[    .    1    .]" 1 
        46 1 13 ALA HA  1 16 LEU MD2 3.500 3.000 4.000 4.022 3.674 4.259 0.259 12 0 "[    .    1    .]" 1 
        47 1 13 ALA MB  1 14 GLY H   3.000 2.500 3.500 2.615 2.536 2.791     .  0 0 "[    .    1    .]" 1 
        48 1 13 ALA MB  1 15 VAL H   5.000 4.500 5.500 4.606 4.530 4.661     .  0 0 "[    .    1    .]" 1 
        49 1 13 ALA MB  2 11 PHE HE2 4.000 3.000 5.000 3.949 2.982 5.102 0.102  1 0 "[    .    1    .]" 1 
        50 1 14 GLY H   1 15 VAL H   3.000 2.500 3.500 2.668 2.624 2.736     .  0 0 "[    .    1    .]" 1 
        51 1 14 GLY H   1 15 VAL MG2 4.500 4.000 5.000 4.065 3.988 4.184 0.012  8 0 "[    .    1    .]" 1 
        52 1 14 GLY H   1 16 LEU H   4.000 3.500 4.500 4.127 3.950 4.200     .  0 0 "[    .    1    .]" 1 
        53 1 14 GLY H   2 11 PHE HD1 5.000 4.500 5.500 5.235 4.467 5.566 0.066 10 0 "[    .    1    .]" 1 
        54 1 14 GLY H   2 11 PHE QD  5.000 4.000 6.000 4.810 4.390 5.242     .  0 0 "[    .    1    .]" 1 
        55 1 14 GLY H   2 14 GLY QA  4.500 3.500 5.500 4.896 4.394 5.438     .  0 0 "[    .    1    .]" 1 
        56 1 14 GLY H   2 15 VAL MG2 5.000 4.000 6.000 5.154 4.676 6.183 0.183  3 0 "[    .    1    .]" 1 
        57 1 14 GLY QA  1 15 VAL H   3.500 3.000 4.000 2.744 2.711 2.765 0.289 12 0 "[    .    1    .]" 1 
        58 1 14 GLY QA  1 16 LEU H   4.500 4.000 5.000 4.165 3.975 4.243 0.025 13 0 "[    .    1    .]" 1 
        59 1 14 GLY QA  1 17 THR H   4.000 3.500 4.300 3.534 3.422 3.603 0.078  1 0 "[    .    1    .]" 1 
        60 1 14 GLY QA  1 17 THR MG  3.000     . 4.000 3.867 3.451 4.179 0.179 14 0 "[    .    1    .]" 1 
        61 1 14 GLY QA  2 14 GLY H   4.500 3.500 5.500 4.973 4.325 5.430     .  0 0 "[    .    1    .]" 1 
        62 1 14 GLY QA  2 15 VAL H   4.000 3.000 5.000 4.148 3.744 4.527     .  0 0 "[    .    1    .]" 1 
        63 1 15 VAL H   1 16 LEU H   3.500     . 5.000 2.600 2.565 2.629     .  0 0 "[    .    1    .]" 1 
        64 1 15 VAL H   1 18 ALA MB  5.000 4.500 5.500 4.915 4.547 5.185     .  0 0 "[    .    1    .]" 1 
        65 1 15 VAL H   2 14 GLY QA  4.000 3.000 5.000 4.065 3.542 4.774     .  0 0 "[    .    1    .]" 1 
        66 1 15 VAL H   2 15 VAL MG2 5.500 4.500 6.500 4.735 4.458 5.662 0.042  8 0 "[    .    1    .]" 1 
        67 1 15 VAL HA  2 18 ALA MB  3.000 2.500 3.500 2.589 2.438 3.122 0.062  7 0 "[    .    1    .]" 1 
        68 1 15 VAL MG1 2 18 ALA H   5.000 4.000 6.000 4.180 3.960 4.727 0.040  9 0 "[    .    1    .]" 1 
        69 1 15 VAL MG1 2 18 ALA MB  3.000     . 4.000 2.105 1.959 2.923 0.041  8 0 "[    .    1    .]" 1 
        70 1 15 VAL MG2 2 14 GLY H   5.000 4.000 6.000 4.937 4.591 5.491     .  0 0 "[    .    1    .]" 1 
        71 1 15 VAL MG2 2 15 VAL H   5.500 4.500 6.500 4.584 4.397 5.141 0.103  3 0 "[    .    1    .]" 1 
        72 1 15 VAL MG2 2 18 ALA H   4.000 3.000 5.000 3.689 3.321 4.258     .  0 0 "[    .    1    .]" 1 
        73 1 15 VAL MG2 2 18 ALA MB  3.000 2.500 4.000 2.722 2.368 3.226 0.132  8 0 "[    .    1    .]" 1 
        74 1 16 LEU H   1 17 THR H   3.000 2.500 3.500 2.726 2.686 2.793     .  0 0 "[    .    1    .]" 1 
        75 1 16 LEU QB  1 17 THR H   3.000 2.500 3.500 2.506 2.454 2.537 0.046  1 0 "[    .    1    .]" 1 
        76 1 16 LEU MD1 1 17 THR H   5.000 4.500 5.500 4.783 4.716 4.886     .  0 0 "[    .    1    .]" 1 
        77 1 16 LEU MD2 1 17 THR H   4.000 3.500 4.000 3.586 3.323 4.187 0.187  4 0 "[    .    1    .]" 1 
        78 1 16 LEU MD2 1 17 THR MG  4.800 3.300 6.300 3.971 3.244 5.311 0.056  8 0 "[    .    1    .]" 1 
        79 1 16 LEU MD2 1 20 LEU MD2 2.500     . 3.000 2.341 1.929 3.115 0.115 13 0 "[    .    1    .]" 1 
        80 1 17 THR H   1 18 ALA H   3.000 2.500 3.500 2.734 2.662 2.811     .  0 0 "[    .    1    .]" 1 
        81 1 17 THR HA  1 18 ALA H   3.500 3.000 4.000 3.560 3.544 3.570     .  0 0 "[    .    1    .]" 1 
        82 1 17 THR HA  1 20 LEU H   4.000 3.500 4.500 3.698 3.479 4.058 0.021  1 0 "[    .    1    .]" 1 
        83 1 17 THR HB  1 18 ALA H   2.500     . 3.000 2.902 2.452 3.296 0.296  5 0 "[    .    1    .]" 1 
        84 1 17 THR HB  1 18 ALA MB  4.400 3.900 4.900 4.164 3.778 4.539 0.122  4 0 "[    .    1    .]" 1 
        85 1 17 THR MG  1 18 ALA H   4.000 3.500 4.500 3.814 3.501 4.039     .  0 0 "[    .    1    .]" 1 
        86 1 17 THR MG  1 18 ALA MB  4.500 3.500 5.500 4.708 4.080 5.121     .  0 0 "[    .    1    .]" 1 
        87 1 17 THR MG  1 20 LEU MD2 5.000 4.000 6.000 4.756 4.408 5.327     .  0 0 "[    .    1    .]" 1 
        88 1 17 THR MG  1 20 LEU HG  4.500 3.500 5.500 4.649 3.652 5.628 0.128 14 0 "[    .    1    .]" 1 
        89 1 17 THR MG  2 11 PHE HZ  4.500 3.500 5.500 4.083 3.435 5.484 0.065 13 0 "[    .    1    .]" 1 
        90 1 18 ALA H   1 19 SER H   3.000 2.500 3.500 2.676 2.569 2.774     .  0 0 "[    .    1    .]" 1 
        91 1 18 ALA H   2 15 VAL MG1 5.000 4.000 6.000 4.582 4.173 6.113 0.113  3 0 "[    .    1    .]" 1 
        92 1 18 ALA H   2 15 VAL MG2 4.000 3.000 5.000 3.885 3.484 4.655     .  0 0 "[    .    1    .]" 1 
        93 1 18 ALA H   2 18 ALA MB  5.000 4.000 6.000 4.591 4.106 5.061     .  0 0 "[    .    1    .]" 1 
        94 1 18 ALA HA  1 20 LEU MD2 4.400 3.400 5.400 5.722 5.603 5.831 0.431 14 0 "[    .    1    .]" 1 
        95 1 18 ALA HA  1 21 THR H   3.000 3.000 3.500 3.303 3.111 3.418     .  0 0 "[    .    1    .]" 1 
        96 1 18 ALA MB  1 19 SER H   2.500     . 3.000 2.726 2.595 2.856     .  0 0 "[    .    1    .]" 1 
        97 1 18 ALA MB  1 22 ILE MD  3.000 2.500 3.500 2.513 2.384 2.910 0.116 13 0 "[    .    1    .]" 1 
        98 1 18 ALA MB  2 15 VAL HA  3.000 2.500 3.500 2.843 2.560 3.571 0.071  3 0 "[    .    1    .]" 1 
        99 1 18 ALA MB  2 15 VAL MG1 3.000     . 4.000 2.267 1.990 4.219 0.219  3 0 "[    .    1    .]" 1 
       100 1 18 ALA MB  2 15 VAL MG2 3.000 2.500 4.000 2.681 2.013 3.085 0.487  3 0 "[    .    1    .]" 1 
       101 1 18 ALA MB  2 18 ALA H   5.000 4.000 6.000 4.756 4.104 5.311     .  0 0 "[    .    1    .]" 1 
       102 1 18 ALA MB  2 19 SER H   4.000 3.000 5.000 4.447 4.065 4.833     .  0 0 "[    .    1    .]" 1 
       103 1 19 SER H   1 20 LEU H   3.000 2.500 3.500 2.717 2.664 2.754     .  0 0 "[    .    1    .]" 1 
       104 1 19 SER H   1 20 LEU QB  4.500 4.000 5.000 4.833 4.457 5.190 0.190 10 0 "[    .    1    .]" 1 
       105 1 19 SER H   1 20 LEU MD2 4.500 4.000 5.000 3.872 3.732 3.990 0.268  5 0 "[    .    1    .]" 1 
       106 1 19 SER H   1 20 LEU HG  4.500 3.000 6.000 5.225 3.915 6.353 0.353  4 0 "[    .    1    .]" 1 
       107 1 19 SER H   1 21 THR H   4.400 3.900 4.900 4.309 4.173 4.481     .  0 0 "[    .    1    .]" 1 
       108 1 19 SER H   2 18 ALA MB  4.000 3.000 5.000 4.222 3.558 4.814     .  0 0 "[    .    1    .]" 1 
       109 1 19 SER HA  1 20 LEU H   3.600 3.100 4.100 3.548 3.530 3.564     .  0 0 "[    .    1    .]" 1 
       110 1 19 SER HA  1 21 THR H   4.800 4.300 5.300 4.594 4.504 4.718     .  0 0 "[    .    1    .]" 1 
       111 1 19 SER HA  1 22 ILE H   4.700 4.200 5.200 3.909 3.732 4.045 0.468 15 0 "[    .    1    .]" 1 
       112 1 19 SER HA  1 23 TRP H   4.000 3.500 4.000 3.708 3.457 3.984 0.043  8 0 "[    .    1    .]" 1 
       113 1 19 SER HA  2 22 ILE MD  2.500     . 3.000 2.905 2.360 3.122 0.122  8 0 "[    .    1    .]" 1 
       114 1 19 SER HA  2 22 ILE MG  4.500 4.000 5.000 4.780 4.027 5.066 0.066 14 0 "[    .    1    .]" 1 
       115 1 19 SER QB  1 20 LEU H   2.600 2.100 3.100 2.783 2.340 3.390 0.290 11 0 "[    .    1    .]" 1 
       116 1 20 LEU H   1 21 THR H   3.000 2.500 3.500 2.797 2.754 2.851     .  0 0 "[    .    1    .]" 1 
       117 1 20 LEU HA  1 23 TRP H   3.500 3.000 4.000 3.959 3.837 4.095 0.095 10 0 "[    .    1    .]" 1 
       118 1 20 LEU QB  1 21 THR H   3.500 3.000 4.000 2.684 2.625 2.748 0.375  4 0 "[    .    1    .]" 1 
       119 1 20 LEU MD2 1 21 THR H   3.900 3.400 4.400 4.230 4.031 4.377     .  0 0 "[    .    1    .]" 1 
       120 1 20 LEU HG  1 21 THR H   4.500 4.000 5.000 4.471 3.640 5.126 0.360  3 0 "[    .    1    .]" 1 
       121 1 21 THR H   1 22 ILE H   3.500 2.500 4.500 2.696 2.615 2.759     .  0 0 "[    .    1    .]" 1 
       122 1 21 THR MG  1 22 ILE H   4.500 4.000 5.000 3.863 3.306 4.148 0.694 15 1 "[    .    1    +]" 1 
       123 1 21 THR MG  1 22 ILE HA  4.500 4.000 5.000 4.868 3.976 5.391 0.391 14 0 "[    .    1    .]" 1 
       124 1 21 THR MG  1 25 LYS H   5.500 4.500 6.500 5.352 4.406 6.182 0.094  1 0 "[    .    1    .]" 1 
       125 1 22 ILE H   1 23 TRP H   2.500     . 3.000 2.714 2.644 2.796     .  0 0 "[    .    1    .]" 1 
       126 1 22 ILE HA  1 25 LYS H   3.500 3.000 4.000 3.504 3.316 3.671     .  0 0 "[    .    1    .]" 1 
       127 1 22 ILE HB  1 23 TRP H   2.600 2.100 3.100 2.476 2.384 2.572     .  0 0 "[    .    1    .]" 1 
       128 1 22 ILE MD  1 23 TRP HA  4.500 3.500 5.500 5.719 5.683 5.757 0.257 10 0 "[    .    1    .]" 1 
       129 1 22 ILE MD  2 19 SER HA  2.500     . 3.000 2.709 2.331 3.022 0.022 14 0 "[    .    1    .]" 1 
       130 1 22 ILE MD  2 19 SER QB  4.000 3.000 5.000 3.689 3.186 4.334     .  0 0 "[    .    1    .]" 1 
       131 1 22 ILE MD  2 23 TRP H   4.500 3.500 5.500 4.843 4.483 5.481     .  0 0 "[    .    1    .]" 1 
       132 1 22 ILE MG  1 23 TRP H   3.000 2.500 3.500 3.471 3.378 3.549 0.049  5 0 "[    .    1    .]" 1 
       133 1 22 ILE MG  1 23 TRP HA  3.700 3.200 4.200 3.576 3.518 3.670     .  0 0 "[    .    1    .]" 1 
       134 1 22 ILE MG  1 25 LYS H   5.000 4.500 5.500 4.585 4.426 4.867 0.074  5 0 "[    .    1    .]" 1 
       135 1 22 ILE MG  1 25 LYS QB  4.000 3.500 4.500 4.020 3.644 4.835 0.335  3 0 "[    .    1    .]" 1 
       136 1 22 ILE MG  1 26 MET H   4.500 4.000 5.000 4.231 3.957 4.707 0.043  3 0 "[    .    1    .]" 1 
       137 1 22 ILE MG  1 26 MET QG  3.000     . 4.000 2.573 1.948 3.505 0.052 12 0 "[    .    1    .]" 1 
       138 1 22 ILE MG  2 19 SER HA  4.500 4.000 5.000 4.335 3.984 4.807 0.016  6 0 "[    .    1    .]" 1 
       139 1 23 TRP H   1 24 LYS H   3.000 2.500 3.300 2.763 2.693 2.841     .  0 0 "[    .    1    .]" 1 
       140 1 23 TRP H   2 22 ILE MD  4.500 3.500 5.500 4.640 4.215 5.251     .  0 0 "[    .    1    .]" 1 
       141 1 23 TRP H   2 26 MET ME  5.000 4.000 6.000 5.636 4.684 6.039 0.039  6 0 "[    .    1    .]" 1 
       142 1 23 TRP QB  1 24 LYS H   3.000 2.500 3.500 2.619 2.463 2.870 0.037  1 0 "[    .    1    .]" 1 
       143 1 24 LYS H   1 25 LYS H   2.800 2.300 3.000 2.655 2.498 2.712     .  0 0 "[    .    1    .]" 1 
       144 1 25 LYS H   1 26 MET H   2.500     . 3.000 2.460 2.303 2.632     .  0 0 "[    .    1    .]" 1 
       145 1 25 LYS H   1 26 MET QG  3.500 2.500 4.500 4.050 3.797 4.262     .  0 0 "[    .    1    .]" 1 
       146 1 25 LYS HA  1 26 MET H   3.500 3.000 4.000 3.438 3.248 3.503     .  0 0 "[    .    1    .]" 1 
       147 1 25 LYS HA  1 27 GLY H   3.000     . 4.000 3.773 3.250 4.339 0.339  5 0 "[    .    1    .]" 1 
       148 1 25 LYS QD  1 26 MET H   4.500 3.500 5.500 5.116 4.210 5.647 0.147 11 0 "[    .    1    .]" 1 
       149 1 25 LYS QD  1 27 GLY H   5.500 4.500 6.500 6.161 4.506 6.782 0.282  5 0 "[    .    1    .]" 1 
       150 1 26 MET H   1 27 GLY H   3.000 2.500 3.500 2.736 2.381 3.452 0.119  5 0 "[    .    1    .]" 1 
       151 1 26 MET H   1 27 GLY QA  4.000 3.500 4.500 4.359 3.934 4.615 0.115  9 0 "[    .    1    .]" 1 
       152 1 26 MET HA  1 27 GLY H   2.500     . 3.000 3.012 2.520 3.469 0.469 14 0 "[    .    1    .]" 1 
       153 1 26 MET QB  1 27 GLY H   3.500 3.000 4.000 3.704 2.903 4.066 0.097 14 0 "[    .    1    .]" 1 
       154 1 26 MET ME  1 27 GLY H   5.000 3.500 6.500 6.110 5.066 6.533 0.033  1 0 "[    .    1    .]" 1 
       155 1 26 MET ME  2 23 TRP H   5.000 4.000 6.000 5.583 4.531 6.018 0.018 14 0 "[    .    1    .]" 1 
       156 1 26 MET QG  1 27 GLY H   4.000 3.500 4.500 4.336 3.710 4.605 0.105  3 0 "[    .    1    .]" 1 
       157 2  5 TRP HA  2  8 VAL MG2 2.500     . 3.000 2.122 1.968 2.429 0.032 14 0 "[    .    1    .]" 1 
       158 2  5 TRP HD1 2  8 VAL MG1 4.000 3.000 5.000 4.146 3.302 5.030 0.030  1 0 "[    .    1    .]" 1 
       159 2  5 TRP HD1 2  8 VAL MG2 3.000     . 4.000 3.019 2.095 3.696     .  0 0 "[    .    1    .]" 1 
       160 2  6 GLN HA  2  8 VAL MG2 4.800 4.300 5.300 4.812 4.239 5.386 0.086  7 0 "[    .    1    .]" 1 
       161 2  7 THR H   2  8 VAL H   2.700 2.200 3.200 2.651 2.523 2.769     .  0 0 "[    .    1    .]" 1 
       162 2  7 THR H   2  8 VAL MG1 4.500 3.500 5.500 5.179 4.300 5.931 0.431 11 0 "[    .    1    .]" 1 
       163 2  7 THR HA  2  8 VAL H   4.000 3.500 4.500 3.545 3.505 3.581     .  0 0 "[    .    1    .]" 1 
       164 2  7 THR HA  2  8 VAL MG2 4.400 3.400 5.400 4.914 4.835 4.988     .  0 0 "[    .    1    .]" 1 
       165 2  8 VAL H   2  9 THR H   2.700 2.200 3.200 2.645 2.589 2.732     .  0 0 "[    .    1    .]" 1 
       166 2  8 VAL MG1 2  9 THR H   4.500 4.000 5.000 3.822 3.689 4.005 0.311 15 0 "[    .    1    .]" 1 
       167 2  8 VAL MG2 2  9 THR H   2.500     . 3.300 2.871 1.950 3.657 0.357  9 0 "[    .    1    .]" 1 
       168 2  9 THR H   2 10 ILE H   3.000 2.500 3.500 2.779 2.718 2.834     .  0 0 "[    .    1    .]" 1 
       169 2 10 ILE H   2 11 PHE QB  5.000 4.500 5.500 4.442 4.328 4.553 0.172  2 0 "[    .    1    .]" 1 
       170 2 10 ILE HA  2 13 ALA H   3.500 3.000 4.000 3.516 3.269 3.756     .  0 0 "[    .    1    .]" 1 
       171 2 10 ILE QG  2 11 PHE H   4.000 3.500 4.500 4.068 3.801 4.457     .  0 0 "[    .    1    .]" 1 
       172 2 10 ILE QG  2 14 GLY H   4.500 3.500 5.500 4.696 3.990 5.753 0.253 11 0 "[    .    1    .]" 1 
       173 2 10 ILE MG  2 11 PHE H   2.500     . 3.000 2.225 1.959 3.270 0.270 11 0 "[    .    1    .]" 1 
       174 2 11 PHE H   2 12 VAL H   3.000 2.500 3.500 2.740 2.676 2.818     .  0 0 "[    .    1    .]" 1 
       175 2 11 PHE H   2 12 VAL MG2 4.000 3.000 5.000 4.203 3.805 4.295     .  0 0 "[    .    1    .]" 1 
       176 2 11 PHE HA  2 14 GLY H   3.600 2.600 4.600 3.610 3.290 3.782     .  0 0 "[    .    1    .]" 1 
       177 2 11 PHE QB  2 12 VAL H   3.000 2.500 3.500 2.509 2.425 2.691 0.075  6 0 "[    .    1    .]" 1 
       178 2 11 PHE QD  2 12 VAL H   4.500 4.000 5.000 4.106 3.799 4.620 0.201  4 0 "[    .    1    .]" 1 
       179 2 11 PHE QD  2 13 ALA H   5.200 4.200 6.200 5.636 5.322 6.079     .  0 0 "[    .    1    .]" 1 
       180 2 11 PHE HD1 2 12 VAL MG2 4.500 3.000 6.000 4.640 3.781 5.997     .  0 0 "[    .    1    .]" 1 
       181 2 12 VAL H   2 13 ALA H   3.000 2.500 3.500 2.688 2.628 2.750     .  0 0 "[    .    1    .]" 1 
       182 2 12 VAL H   2 13 ALA MB  4.500 4.000 5.000 4.372 4.260 4.478     .  0 0 "[    .    1    .]" 1 
       183 2 12 VAL HA  2 13 ALA H   3.500 3.000 4.000 3.561 3.530 3.569     .  0 0 "[    .    1    .]" 1 
       184 2 12 VAL HB  2 13 ALA H   4.000 3.000 5.000 2.815 2.717 3.748 0.283 14 0 "[    .    1    .]" 1 
       185 2 12 VAL MG1 2 13 ALA H   3.000 2.500 3.500 3.559 3.509 3.833 0.333 10 0 "[    .    1    .]" 1 
       186 2 13 ALA H   2 14 GLY H   3.000 2.500 3.500 2.690 2.571 2.746     .  0 0 "[    .    1    .]" 1 
       187 2 13 ALA HA  2 14 GLY H   3.600 3.100 4.100 3.551 3.537 3.562     .  0 0 "[    .    1    .]" 1 
       188 2 13 ALA HA  2 16 LEU H   3.500 3.000 4.000 3.525 3.248 3.749     .  0 0 "[    .    1    .]" 1 
       189 2 13 ALA HA  2 16 LEU MD1 3.500 3.000 4.000 3.801 2.786 4.175 0.214 13 0 "[    .    1    .]" 1 
       190 2 13 ALA HA  2 16 LEU MD2 3.500 3.000 4.000 4.103 3.634 4.638 0.638 13 1 "[    .    1  + .]" 1 
       191 2 13 ALA MB  2 14 GLY H   3.000 2.500 3.500 2.630 2.551 2.732     .  0 0 "[    .    1    .]" 1 
       192 2 13 ALA MB  2 15 VAL H   5.000 4.500 5.500 4.619 4.524 4.707     .  0 0 "[    .    1    .]" 1 
       193 2 14 GLY H   2 15 VAL H   3.000 2.500 3.500 2.661 2.574 2.713     .  0 0 "[    .    1    .]" 1 
       194 2 14 GLY H   2 15 VAL MG2 4.500 4.000 5.000 4.215 4.038 5.836 0.836  3 1 "[  + .    1    .]" 1 
       195 2 14 GLY H   2 16 LEU H   4.000 3.500 4.500 4.085 3.830 4.212     .  0 0 "[    .    1    .]" 1 
       196 2 14 GLY QA  2 15 VAL H   3.500 3.000 4.000 2.740 2.672 2.776 0.328  3 0 "[    .    1    .]" 1 
       197 2 14 GLY QA  2 16 LEU H   4.500 4.000 5.000 4.139 3.979 4.247 0.021 11 0 "[    .    1    .]" 1 
       198 2 14 GLY QA  2 17 THR H   3.800 3.300 4.300 3.516 3.336 3.622     .  0 0 "[    .    1    .]" 1 
       199 2 14 GLY QA  2 17 THR MG  3.000     . 4.000 3.942 3.542 4.207 0.207 10 0 "[    .    1    .]" 1 
       200 2 15 VAL H   2 16 LEU H   3.500     . 5.000 2.593 2.548 2.624     .  0 0 "[    .    1    .]" 1 
       201 2 15 VAL H   2 18 ALA MB  5.000 4.500 5.500 4.725 4.442 4.926 0.058  6 0 "[    .    1    .]" 1 
       202 2 16 LEU H   2 17 THR H   3.000 2.500 3.500 2.705 2.643 2.755     .  0 0 "[    .    1    .]" 1 
       203 2 16 LEU QB  2 17 THR H   3.000 2.500 3.500 2.513 2.460 2.649 0.040 11 0 "[    .    1    .]" 1 
       204 2 16 LEU MD1 2 17 THR H   5.000 4.500 5.500 4.738 4.653 4.902     .  0 0 "[    .    1    .]" 1 
       205 2 16 LEU MD2 2 17 THR H   4.000 3.000 4.000 3.527 3.174 4.482 0.482 13 0 "[    .    1    .]" 1 
       206 2 16 LEU MD2 2 17 THR MG  4.800 3.300 6.300 4.057 3.149 5.304 0.151  2 0 "[    .    1    .]" 1 
       207 2 16 LEU MD2 2 20 LEU MD2 2.500     . 3.000 2.714 1.990 3.132 0.132 11 0 "[    .    1    .]" 1 
       208 2 17 THR H   2 18 ALA H   3.000 2.500 3.500 2.676 2.592 2.743     .  0 0 "[    .    1    .]" 1 
       209 2 17 THR HA  2 18 ALA H   3.500 3.000 4.000 3.551 3.532 3.568     .  0 0 "[    .    1    .]" 1 
       210 2 17 THR HB  2 18 ALA H   2.500     . 3.000 2.869 2.522 3.242 0.242  3 0 "[    .    1    .]" 1 
       211 2 17 THR HB  2 18 ALA MB  4.400 3.900 4.900 4.171 3.886 4.463 0.014 12 0 "[    .    1    .]" 1 
       212 2 17 THR MG  2 18 ALA H   4.000 3.500 4.500 3.830 3.498 4.167 0.002 12 0 "[    .    1    .]" 1 
       213 2 17 THR MG  2 18 ALA MB  4.500 3.500 5.500 4.721 4.192 5.221     .  0 0 "[    .    1    .]" 1 
       214 2 17 THR MG  2 20 LEU MD2 5.000 4.000 6.000 5.014 3.748 6.002 0.252  6 0 "[    .    1    .]" 1 
       215 2 17 THR MG  2 20 LEU HG  4.500 3.500 5.500 5.294 4.641 5.918 0.418 10 0 "[    .    1    .]" 1 
       216 2 18 ALA H   2 19 SER H   3.000 2.500 3.500 2.742 2.646 2.871     .  0 0 "[    .    1    .]" 1 
       217 2 18 ALA HA  2 21 THR H   3.500 3.000 4.000 3.580 3.347 3.882     .  0 0 "[    .    1    .]" 1 
       218 2 18 ALA MB  2 19 SER H   2.500     . 3.000 2.645 2.358 2.879     .  0 0 "[    .    1    .]" 1 
       219 2 18 ALA MB  2 22 ILE MD  3.000 2.500 3.500 2.730 2.343 3.733 0.233  8 0 "[    .    1    .]" 1 
       220 2 19 SER H   2 20 LEU H   3.000 2.500 3.500 2.673 2.477 2.846 0.023 12 0 "[    .    1    .]" 1 
       221 2 19 SER H   2 20 LEU QB  4.500 4.000 5.000 4.615 4.118 5.233 0.233 14 0 "[    .    1    .]" 1 
       222 2 19 SER H   2 20 LEU MD2 4.500 4.000 5.000 4.916 3.915 5.913 0.913 12 2 "[    .    1 + -.]" 1 
       223 2 19 SER H   2 20 LEU HG  4.500 3.000 6.000 5.402 4.171 6.705 0.705 12 2 "[    .    - +  .]" 1 
       224 2 19 SER H   2 21 THR H   4.400 3.900 4.900 4.175 4.003 4.264     .  0 0 "[    .    1    .]" 1 
       225 2 19 SER HA  2 20 LEU H   3.600 3.100 4.100 3.548 3.491 3.581     .  0 0 "[    .    1    .]" 1 
       226 2 19 SER HA  2 21 THR H   4.800 4.300 5.300 4.607 4.521 4.706     .  0 0 "[    .    1    .]" 1 
       227 2 19 SER HA  2 22 ILE H   4.700 4.200 5.200 3.942 3.846 4.026 0.354  1 0 "[    .    1    .]" 1 
       228 2 19 SER HA  2 23 TRP H   3.500 3.000 4.000 3.855 3.511 4.138 0.138  5 0 "[    .    1    .]" 1 
       229 2 19 SER QB  2 20 LEU H   2.600 2.100 3.100 2.704 2.356 3.308 0.208 10 0 "[    .    1    .]" 1 
       230 2 20 LEU H   2 21 THR H   3.000 2.500 3.500 2.778 2.731 2.821     .  0 0 "[    .    1    .]" 1 
       231 2 20 LEU HA  2 23 TRP H   3.500 3.000 4.000 3.820 3.504 4.077 0.077  6 0 "[    .    1    .]" 1 
       232 2 20 LEU QB  2 21 THR H   3.500 3.000 4.000 2.665 2.620 2.715 0.380  7 0 "[    .    1    .]" 1 
       233 2 20 LEU MD2 2 21 THR H   3.900 3.400 4.400 4.514 4.167 4.812 0.412 14 0 "[    .    1    .]" 1 
       234 2 20 LEU HG  2 21 THR H   4.500 4.000 5.000 4.596 3.804 5.174 0.196 12 0 "[    .    1    .]" 1 
       235 2 21 THR H   2 22 ILE H   3.500 2.500 4.500 2.736 2.631 2.872     .  0 0 "[    .    1    .]" 1 
       236 2 21 THR MG  2 22 ILE H   4.500 4.000 5.000 3.891 3.712 4.140 0.288 12 0 "[    .    1    .]" 1 
       237 2 21 THR MG  2 22 ILE HA  4.500 4.000 5.000 4.888 3.955 5.394 0.394  7 0 "[    .    1    .]" 1 
       238 2 21 THR MG  2 25 LYS H   5.500 4.500 6.500 5.348 4.422 6.188 0.078 12 0 "[    .    1    .]" 1 
       239 2 22 ILE H   2 23 TRP H   2.500     . 3.000 2.675 2.615 2.771     .  0 0 "[    .    1    .]" 1 
       240 2 22 ILE HA  2 25 LYS H   3.500 3.000 4.000 3.478 3.249 3.767     .  0 0 "[    .    1    .]" 1 
       241 2 22 ILE HB  2 23 TRP H   2.600 2.100 3.100 2.617 2.384 3.565 0.465  8 0 "[    .    1    .]" 1 
       242 2 22 ILE MD  2 23 TRP HA  4.500 3.500 5.500 5.665 4.419 5.962 0.462 11 0 "[    .    1    .]" 1 
       243 2 22 ILE MG  2 23 TRP H   3.000 2.500 3.500 3.506 3.176 3.966 0.466  8 0 "[    .    1    .]" 1 
       244 2 22 ILE MG  2 23 TRP HA  3.700 3.200 4.200 3.672 3.257 5.324 1.124  8 1 "[    .  + 1    .]" 1 
       245 2 22 ILE MG  2 25 LYS H   5.000 4.500 5.500 4.636 4.403 5.017 0.097  1 0 "[    .    1    .]" 1 
       246 2 22 ILE MG  2 25 LYS QB  4.000 3.500 4.500 3.948 3.401 4.661 0.161  2 0 "[    .    1    .]" 1 
       247 2 22 ILE MG  2 26 MET H   4.500 4.000 5.000 4.204 3.946 5.288 0.288  8 0 "[    .    1    .]" 1 
       248 2 22 ILE MG  2 26 MET QG  3.000     . 4.000 2.682 2.081 3.438     .  0 0 "[    .    1    .]" 1 
       249 2 23 TRP H   2 24 LYS H   3.000 2.500 3.300 2.784 2.690 2.900     .  0 0 "[    .    1    .]" 1 
       250 2 23 TRP QB  2 24 LYS H   3.000 2.500 3.500 2.618 2.495 2.845 0.005  7 0 "[    .    1    .]" 1 
       251 2 24 LYS H   2 25 LYS H   2.800 2.300 3.000 2.643 2.508 2.726     .  0 0 "[    .    1    .]" 1 
       252 2 25 LYS H   2 26 MET H   2.500     . 3.000 2.469 2.352 2.505     .  0 0 "[    .    1    .]" 1 
       253 2 25 LYS H   2 26 MET QG  3.500 2.500 4.500 4.233 3.813 4.540 0.040 15 0 "[    .    1    .]" 1 
       254 2 25 LYS HA  2 26 MET H   3.500 3.000 4.000 3.454 3.247 3.505     .  0 0 "[    .    1    .]" 1 
       255 2 25 LYS HA  2 27 GLY H   3.000     . 4.000 3.607 3.270 4.089 0.089 11 0 "[    .    1    .]" 1 
       256 2 25 LYS QD  2 26 MET H   4.500 3.500 5.500 5.142 4.658 5.751 0.251 14 0 "[    .    1    .]" 1 
       257 2 25 LYS QD  2 27 GLY H   5.500 4.500 6.500 6.086 5.086 6.851 0.351 15 0 "[    .    1    .]" 1 
       258 2 26 MET H   2 27 GLY H   3.000 2.500 3.500 2.864 2.578 3.420     .  0 0 "[    .    1    .]" 1 
       259 2 26 MET H   2 27 GLY QA  4.000 3.500 4.500 4.387 4.001 4.577 0.077 14 0 "[    .    1    .]" 1 
       260 2 26 MET HA  2 27 GLY H   2.500     . 3.000 2.965 2.659 3.469 0.469  9 0 "[    .    1    .]" 1 
       261 2 26 MET QB  2 27 GLY H   3.500 3.000 4.000 3.766 2.898 4.074 0.102  9 0 "[    .    1    .]" 1 
       262 2 26 MET QG  2 27 GLY H   4.000 3.500 4.500 4.450 3.711 4.657 0.157 14 0 "[    .    1    .]" 1 
    stop_

save_



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