NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage program type subtype subsubtype
515155 2lfm 17764 cing 4-filtered-FRED Wattos check violation distance


data_2lfm


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              447
    _Distance_constraint_stats_list.Viol_count                    191
    _Distance_constraint_stats_list.Viol_total                    72.549
    _Distance_constraint_stats_list.Viol_max                      0.088
    _Distance_constraint_stats_list.Viol_rms                      0.0046
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0004
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0190
    _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  2 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  3 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  4 PHE 0.212 0.041 14 0 "[    .    1    .    2]" 
       1  5 ARG 0.197 0.041 14 0 "[    .    1    .    2]" 
       1  6 HIS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  7 ASP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  8 SER 0.001 0.001 19 0 "[    .    1    .    2]" 
       1  9 GLY 0.001 0.001 19 0 "[    .    1    .    2]" 
       1 10 TYR 0.211 0.026 19 0 "[    .    1    .    2]" 
       1 11 GLU 0.507 0.026 19 0 "[    .    1    .    2]" 
       1 12 VAL 0.222 0.026 19 0 "[    .    1    .    2]" 
       1 13 HIS 0.458 0.026 19 0 "[    .    1    .    2]" 
       1 14 HIS 0.011 0.005 19 0 "[    .    1    .    2]" 
       1 15 GLN 1.738 0.088 19 0 "[    .    1    .    2]" 
       1 16 LYS 0.015 0.004 12 0 "[    .    1    .    2]" 
       1 17 LEU 2.279 0.088 19 0 "[    .    1    .    2]" 
       1 18 VAL 0.146 0.012 17 0 "[    .    1    .    2]" 
       1 19 PHE 0.579 0.024 13 0 "[    .    1    .    2]" 
       1 20 PHE 0.096 0.007 17 0 "[    .    1    .    2]" 
       1 21 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 22 GLU 0.002 0.001 18 0 "[    .    1    .    2]" 
       1 23 ASP 0.080 0.020  8 0 "[    .    1    .    2]" 
       1 24 VAL 0.089 0.020  8 0 "[    .    1    .    2]" 
       1 25 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 26 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 27 ASN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 28 LYS 0.177 0.056 20 0 "[    .    1    .    2]" 
       1 29 GLY 0.177 0.056 20 0 "[    .    1    .    2]" 
       1 30 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 31 ILE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 32 ILE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 33 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 34 LEU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 35 MET 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 36 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 37 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 38 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 39 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 40 VAL 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  2 ALA H    1  2 ALA MB   . . 3.020 2.387 2.028 2.793     .  0 0 "[    .    1    .    2]" 1 
         2 1  2 ALA HA   1  3 GLU H    . . 3.270 2.400 2.149 2.587     .  0 0 "[    .    1    .    2]" 1 
         3 1  2 ALA HA   1  3 GLU QB   . . 4.500 4.260 4.025 4.484     .  0 0 "[    .    1    .    2]" 1 
         4 1  2 ALA MB   1  3 GLU H    . . 3.620 2.512 2.143 3.138     .  0 0 "[    .    1    .    2]" 1 
         5 1  2 ALA MB   1  3 GLU HA   . . 4.700 4.158 3.857 4.454     .  0 0 "[    .    1    .    2]" 1 
         6 1  2 ALA MB   1  3 GLU QB   . . 4.620 4.279 3.908 4.598     .  0 0 "[    .    1    .    2]" 1 
         7 1  2 ALA MB   1  4 PHE H    . . 5.500 5.116 4.289 5.460     .  0 0 "[    .    1    .    2]" 1 
         8 1  3 GLU H    1  3 GLU HB2  . . 3.800 2.713 2.245 3.739     .  0 0 "[    .    1    .    2]" 1 
         9 1  3 GLU H    1  3 GLU QB   . . 3.310 2.424 2.172 3.085     .  0 0 "[    .    1    .    2]" 1 
        10 1  3 GLU H    1  3 GLU HB3  . . 3.800 3.210 2.491 3.782     .  0 0 "[    .    1    .    2]" 1 
        11 1  3 GLU H    1  3 GLU HG2  . . 4.760 3.518 2.016 4.632     .  0 0 "[    .    1    .    2]" 1 
        12 1  3 GLU H    1  3 GLU QG   . . 4.140 3.075 2.002 4.059     .  0 0 "[    .    1    .    2]" 1 
        13 1  3 GLU H    1  3 GLU HG3  . . 4.760 3.735 2.213 4.489     .  0 0 "[    .    1    .    2]" 1 
        14 1  3 GLU H    1  4 PHE H    . . 4.740 4.488 4.121 4.625     .  0 0 "[    .    1    .    2]" 1 
        15 1  3 GLU HA   1  3 GLU HG2  . . 4.060 3.053 2.319 3.852     .  0 0 "[    .    1    .    2]" 1 
        16 1  3 GLU HA   1  3 GLU QG   . . 3.460 2.648 2.193 3.339     .  0 0 "[    .    1    .    2]" 1 
        17 1  3 GLU HA   1  3 GLU HG3  . . 4.060 3.169 2.216 3.870     .  0 0 "[    .    1    .    2]" 1 
        18 1  3 GLU HA   1  4 PHE H    . . 2.950 2.247 2.140 2.589     .  0 0 "[    .    1    .    2]" 1 
        19 1  3 GLU HA   1  4 PHE QB   . . 4.780 4.319 4.095 4.537     .  0 0 "[    .    1    .    2]" 1 
        20 1  3 GLU HA   1  4 PHE QD   . . 4.600 3.519 3.107 4.019     .  0 0 "[    .    1    .    2]" 1 
        21 1  3 GLU QB   1  4 PHE H    . . 3.680 3.051 2.030 3.576     .  0 0 "[    .    1    .    2]" 1 
        22 1  3 GLU QB   1  4 PHE QB   . . 5.340 4.975 4.508 5.307     .  0 0 "[    .    1    .    2]" 1 
        23 1  3 GLU QB   1  4 PHE QD   . . 5.340 4.677 3.453 5.336     .  0 0 "[    .    1    .    2]" 1 
        24 1  3 GLU QG   1  4 PHE H    . . 4.680 3.607 2.019 4.387     .  0 0 "[    .    1    .    2]" 1 
        25 1  3 GLU HG2  1  4 PHE H    . . 5.440 4.167 2.326 5.219     .  0 0 "[    .    1    .    2]" 1 
        26 1  3 GLU HG3  1  4 PHE H    . . 5.440 4.169 2.028 5.356     .  0 0 "[    .    1    .    2]" 1 
        27 1  4 PHE H    1  4 PHE QB   . . 3.080 2.738 2.318 2.995     .  0 0 "[    .    1    .    2]" 1 
        28 1  4 PHE H    1  4 PHE QE   . . 4.220 3.966 3.838 4.226 0.006 10 0 "[    .    1    .    2]" 1 
        29 1  4 PHE H    1 21 ALA MB   . . 5.500 4.644 3.983 5.233     .  0 0 "[    .    1    .    2]" 1 
        30 1  4 PHE H    1 24 VAL QG   . . 5.300 5.162 4.671 5.303 0.003 17 0 "[    .    1    .    2]" 1 
        31 1  4 PHE HA   1  4 PHE QD   . . 4.100 3.684 3.089 3.728     .  0 0 "[    .    1    .    2]" 1 
        32 1  4 PHE HA   1  5 ARG HA   . . 5.150 4.558 4.307 4.885     .  0 0 "[    .    1    .    2]" 1 
        33 1  4 PHE QB   1  5 ARG H    . . 3.950 3.219 2.002 3.991 0.041 14 0 "[    .    1    .    2]" 1 
        34 1  4 PHE QB   1  5 ARG HA   . . 4.830 4.521 4.237 4.764     .  0 0 "[    .    1    .    2]" 1 
        35 1  4 PHE QB   1 18 VAL MG2  . . 4.910 4.187 3.149 4.899     .  0 0 "[    .    1    .    2]" 1 
        36 1  4 PHE QD   1  5 ARG H    . . 4.940 3.222 2.261 4.234     .  0 0 "[    .    1    .    2]" 1 
        37 1  4 PHE QD   1 18 VAL MG2  . . 4.110 3.081 2.462 3.625     .  0 0 "[    .    1    .    2]" 1 
        38 1  4 PHE QD   1 21 ALA MB   . . 3.910 2.589 1.893 3.153     .  0 0 "[    .    1    .    2]" 1 
        39 1  4 PHE QD   1 22 GLU HA   . . 5.200 4.365 3.662 5.136     .  0 0 "[    .    1    .    2]" 1 
        40 1  4 PHE QD   1 22 GLU HB2  . . 5.500 4.916 4.273 5.500     .  0 0 "[    .    1    .    2]" 1 
        41 1  4 PHE QD   1 24 VAL QG   . . 4.170 3.614 3.143 4.171 0.001 10 0 "[    .    1    .    2]" 1 
        42 1  4 PHE QE   1  5 ARG H    . . 5.500 4.580 3.869 5.507 0.007 10 0 "[    .    1    .    2]" 1 
        43 1  4 PHE QE   1  5 ARG QD   . . 5.500 4.426 2.453 5.498     .  0 0 "[    .    1    .    2]" 1 
        44 1  4 PHE QE   1 18 VAL MG1  . . 4.740 4.281 3.119 4.741 0.001  5 0 "[    .    1    .    2]" 1 
        45 1  4 PHE QE   1 18 VAL MG2  . . 4.000 2.975 1.924 3.701     .  0 0 "[    .    1    .    2]" 1 
        46 1  4 PHE QE   1 21 ALA HA   . . 5.500 5.034 4.527 5.432     .  0 0 "[    .    1    .    2]" 1 
        47 1  4 PHE QE   1 21 ALA MB   . . 3.700 3.160 2.756 3.700     .  0 0 "[    .    1    .    2]" 1 
        48 1  4 PHE QE   1 22 GLU HA   . . 4.620 2.749 1.998 3.366     .  0 0 "[    .    1    .    2]" 1 
        49 1  4 PHE QE   1 22 GLU HB2  . . 4.330 3.127 2.462 3.720     .  0 0 "[    .    1    .    2]" 1 
        50 1  4 PHE QE   1 24 VAL H    . . 5.500 5.139 4.660 5.494     .  0 0 "[    .    1    .    2]" 1 
        51 1  4 PHE QE   1 24 VAL QG   . . 4.030 3.380 2.227 4.008     .  0 0 "[    .    1    .    2]" 1 
        52 1  5 ARG H    1  5 ARG HG2  . . 4.240 3.169 2.095 4.034     .  0 0 "[    .    1    .    2]" 1 
        53 1  5 ARG H    1  5 ARG QG   . . 3.530 2.626 1.963 3.495     .  0 0 "[    .    1    .    2]" 1 
        54 1  5 ARG H    1  5 ARG HG3  . . 4.240 3.230 1.980 4.236     .  0 0 "[    .    1    .    2]" 1 
        55 1  5 ARG HA   1  5 ARG QD   . . 3.970 3.267 2.020 3.945     .  0 0 "[    .    1    .    2]" 1 
        56 1  5 ARG QB   1  5 ARG QD   . . 3.230 2.158 1.963 2.720     .  0 0 "[    .    1    .    2]" 1 
        57 1  6 HIS HA   1  6 HIS HD2  . . 4.410 3.733 2.142 4.391     .  0 0 "[    .    1    .    2]" 1 
        58 1  6 HIS QB   1  6 HIS HD2  . . 3.370 2.978 2.685 3.298     .  0 0 "[    .    1    .    2]" 1 
        59 1  6 HIS QB   1  7 ASP H    . . 4.120 2.951 1.984 4.021     .  0 0 "[    .    1    .    2]" 1 
        60 1  6 HIS HB2  1  7 ASP H    . . 4.720 3.700 2.001 4.605     .  0 0 "[    .    1    .    2]" 1 
        61 1  6 HIS HB3  1  7 ASP H    . . 4.720 3.367 1.994 4.648     .  0 0 "[    .    1    .    2]" 1 
        62 1  6 HIS HD2  1  7 ASP H    . . 4.480 3.677 1.993 4.472     .  0 0 "[    .    1    .    2]" 1 
        63 1  6 HIS HD2  1  7 ASP HA   . . 4.780 4.120 3.018 4.775     .  0 0 "[    .    1    .    2]" 1 
        64 1  6 HIS HD2  1  7 ASP QB   . . 4.690 3.745 2.069 4.643     .  0 0 "[    .    1    .    2]" 1 
        65 1  7 ASP QB   1  8 SER H    . . 3.490 2.774 1.961 3.487     .  0 0 "[    .    1    .    2]" 1 
        66 1  8 SER HA   1 10 TYR H    . . 5.500 4.794 3.698 5.500     .  0 0 "[    .    1    .    2]" 1 
        67 1  8 SER QB   1  9 GLY H    . . 3.970 3.124 2.196 3.971 0.001 19 0 "[    .    1    .    2]" 1 
        68 1  9 GLY H    1 10 TYR H    . . 4.710 2.961 1.910 4.176     .  0 0 "[    .    1    .    2]" 1 
        69 1  9 GLY QA   1 10 TYR HA   . . 4.460 4.030 3.942 4.123     .  0 0 "[    .    1    .    2]" 1 
        70 1  9 GLY QA   1 10 TYR HB2  . . 4.760 4.036 3.694 4.559     .  0 0 "[    .    1    .    2]" 1 
        71 1  9 GLY HA2  1 10 TYR HB2  . . 5.500 4.641 4.132 5.336     .  0 0 "[    .    1    .    2]" 1 
        72 1  9 GLY HA3  1 10 TYR HB2  . . 5.500 4.532 3.952 5.488     .  0 0 "[    .    1    .    2]" 1 
        73 1 10 TYR H    1 10 TYR HB2  . . 3.480 2.936 2.513 3.227     .  0 0 "[    .    1    .    2]" 1 
        74 1 10 TYR H    1 10 TYR HB3  . . 3.430 3.048 2.813 3.277     .  0 0 "[    .    1    .    2]" 1 
        75 1 10 TYR H    1 10 TYR QD   . . 4.500 4.386 4.186 4.503 0.003 17 0 "[    .    1    .    2]" 1 
        76 1 10 TYR H    1 11 GLU H    . . 4.720 4.432 4.367 4.534     .  0 0 "[    .    1    .    2]" 1 
        77 1 10 TYR H    1 11 GLU HA   . . 5.500 4.981 4.755 5.355     .  0 0 "[    .    1    .    2]" 1 
        78 1 10 TYR HA   1 10 TYR QD   . . 3.450 2.404 2.302 2.446     .  0 0 "[    .    1    .    2]" 1 
        79 1 10 TYR HA   1 10 TYR QE   . . 4.380 4.321 4.286 4.335     .  0 0 "[    .    1    .    2]" 1 
        80 1 10 TYR HA   1 11 GLU H    . . 3.210 2.490 2.483 2.492     .  0 0 "[    .    1    .    2]" 1 
        81 1 10 TYR HB2  1 11 GLU H    . . 3.890 3.866 3.864 3.870     .  0 0 "[    .    1    .    2]" 1 
        82 1 10 TYR HB2  1 12 VAL HB   . . 5.500 4.951 4.857 5.198     .  0 0 "[    .    1    .    2]" 1 
        83 1 10 TYR HB2  1 12 VAL MG1  . . 4.370 3.081 3.071 3.110     .  0 0 "[    .    1    .    2]" 1 
        84 1 10 TYR HB3  1 11 GLU H    . . 4.040 3.066 3.058 3.088     .  0 0 "[    .    1    .    2]" 1 
        85 1 10 TYR HB3  1 12 VAL HA   . . 5.220 4.790 4.732 4.940     .  0 0 "[    .    1    .    2]" 1 
        86 1 10 TYR HB3  1 12 VAL MG1  . . 4.230 1.886 1.881 1.890     .  0 0 "[    .    1    .    2]" 1 
        87 1 10 TYR HB3  1 12 VAL MG2  . . 4.440 4.401 4.377 4.466 0.026 19 0 "[    .    1    .    2]" 1 
        88 1 10 TYR QD   1 11 GLU H    . . 4.830 2.837 2.800 2.921     .  0 0 "[    .    1    .    2]" 1 
        89 1 10 TYR QD   1 11 GLU HA   . . 4.980 4.832 4.795 4.916     .  0 0 "[    .    1    .    2]" 1 
        90 1 10 TYR QD   1 11 GLU HB2  . . 5.420 5.200 5.142 5.352     .  0 0 "[    .    1    .    2]" 1 
        91 1 10 TYR QD   1 11 GLU HG2  . . 4.840 3.556 2.774 4.240     .  0 0 "[    .    1    .    2]" 1 
        92 1 10 TYR QD   1 11 GLU QG   . . 4.260 2.904 2.716 3.118     .  0 0 "[    .    1    .    2]" 1 
        93 1 10 TYR QD   1 11 GLU HG3  . . 4.840 3.269 2.750 4.517     .  0 0 "[    .    1    .    2]" 1 
        94 1 10 TYR QD   1 12 VAL HA   . . 4.670 3.659 3.604 3.799     .  0 0 "[    .    1    .    2]" 1 
        95 1 10 TYR QD   1 12 VAL HB   . . 4.570 2.247 2.166 2.285     .  0 0 "[    .    1    .    2]" 1 
        96 1 10 TYR QD   1 12 VAL MG1  . . 4.130 2.415 1.950 2.594     .  0 0 "[    .    1    .    2]" 1 
        97 1 10 TYR QD   1 12 VAL MG2  . . 4.620 3.895 3.752 3.954     .  0 0 "[    .    1    .    2]" 1 
        98 1 10 TYR QE   1 12 VAL HA   . . 4.790 4.795 4.793 4.799 0.009  9 0 "[    .    1    .    2]" 1 
        99 1 10 TYR QE   1 12 VAL MG1  . . 4.760 4.341 3.902 4.509     .  0 0 "[    .    1    .    2]" 1 
       100 1 10 TYR QE   1 12 VAL MG2  . . 5.240 5.006 4.720 5.118     .  0 0 "[    .    1    .    2]" 1 
       101 1 11 GLU H    1 11 GLU HB2  . . 3.600 3.602 3.600 3.612 0.012 17 0 "[    .    1    .    2]" 1 
       102 1 11 GLU H    1 11 GLU HB3  . . 3.650 2.768 2.699 2.779     .  0 0 "[    .    1    .    2]" 1 
       103 1 11 GLU H    1 11 GLU HG2  . . 4.030 2.191 1.950 2.961     .  0 0 "[    .    1    .    2]" 1 
       104 1 11 GLU H    1 11 GLU HG3  . . 4.030 2.726 2.064 3.637     .  0 0 "[    .    1    .    2]" 1 
       105 1 11 GLU H    1 12 VAL H    . . 4.100 2.435 2.399 2.450     .  0 0 "[    .    1    .    2]" 1 
       106 1 11 GLU H    1 12 VAL MG1  . . 4.580 3.863 3.768 3.900     .  0 0 "[    .    1    .    2]" 1 
       107 1 11 GLU HA   1 11 GLU QG   . . 3.670 3.340 3.332 3.407     .  0 0 "[    .    1    .    2]" 1 
       108 1 11 GLU HA   1 12 VAL MG1  . . 4.550 4.400 4.366 4.485     .  0 0 "[    .    1    .    2]" 1 
       109 1 11 GLU HA   1 13 HIS H    . . 5.500 5.523 5.521 5.526 0.026 19 0 "[    .    1    .    2]" 1 
       110 1 11 GLU HA   1 13 HIS HD2  . . 4.800 4.356 3.935 4.772     .  0 0 "[    .    1    .    2]" 1 
       111 1 11 GLU HB2  1 12 VAL H    . . 4.190 4.089 3.972 4.175     .  0 0 "[    .    1    .    2]" 1 
       112 1 11 GLU HB2  1 13 HIS H    . . 5.500 5.366 5.344 5.440     .  0 0 "[    .    1    .    2]" 1 
       113 1 11 GLU HB2  1 13 HIS HD2  . . 4.710 4.378 3.974 4.691     .  0 0 "[    .    1    .    2]" 1 
       114 1 11 GLU QG   1 12 VAL MG1  . . 4.780 4.166 3.965 4.248     .  0 0 "[    .    1    .    2]" 1 
       115 1 11 GLU QG   1 13 HIS H    . . 5.340 5.012 4.895 5.341 0.001 17 0 "[    .    1    .    2]" 1 
       116 1 11 GLU HG2  1 12 VAL H    . . 4.370 3.513 2.417 4.312     .  0 0 "[    .    1    .    2]" 1 
       117 1 11 GLU HG3  1 12 VAL H    . . 4.370 2.854 2.464 4.285     .  0 0 "[    .    1    .    2]" 1 
       118 1 12 VAL H    1 12 VAL HB   . . 3.150 2.588 2.579 2.592     .  0 0 "[    .    1    .    2]" 1 
       119 1 12 VAL H    1 12 VAL MG1  . . 3.120 2.166 2.157 2.183     .  0 0 "[    .    1    .    2]" 1 
       120 1 12 VAL HA   1 12 VAL MG1  . . 3.280 3.182 3.182 3.183     .  0 0 "[    .    1    .    2]" 1 
       121 1 12 VAL HA   1 12 VAL MG2  . . 3.210 2.338 2.321 2.392     .  0 0 "[    .    1    .    2]" 1 
       122 1 12 VAL HA   1 13 HIS H    . . 3.550 2.144 2.142 2.144     .  0 0 "[    .    1    .    2]" 1 
       123 1 12 VAL HA   1 13 HIS HA   . . 4.870 4.404 4.402 4.406     .  0 0 "[    .    1    .    2]" 1 
       124 1 12 VAL HA   1 13 HIS HB2  . . 4.650 4.349 4.250 4.522     .  0 0 "[    .    1    .    2]" 1 
       125 1 12 VAL HA   1 14 HIS QB   . . 5.340 4.664 4.538 4.924     .  0 0 "[    .    1    .    2]" 1 
       126 1 12 VAL HB   1 14 HIS H    . . 4.850 4.529 4.412 4.633     .  0 0 "[    .    1    .    2]" 1 
       127 1 12 VAL MG1  1 13 HIS H    . . 4.380 4.161 4.152 4.166     .  0 0 "[    .    1    .    2]" 1 
       128 1 12 VAL MG1  1 14 HIS H    . . 4.130 3.956 3.716 4.135 0.005 19 0 "[    .    1    .    2]" 1 
       129 1 12 VAL MG1  1 15 GLN H    . . 4.120 2.922 2.760 3.071     .  0 0 "[    .    1    .    2]" 1 
       130 1 12 VAL MG1  1 15 GLN HA   . . 4.290 4.098 3.800 4.293 0.003 19 0 "[    .    1    .    2]" 1 
       131 1 12 VAL MG1  1 15 GLN QE   . . 4.710 3.026 2.258 3.810     .  0 0 "[    .    1    .    2]" 1 
       132 1 12 VAL MG1  1 15 GLN QG   . . 4.410 3.170 3.034 3.379     .  0 0 "[    .    1    .    2]" 1 
       133 1 12 VAL MG2  1 13 HIS H    . . 4.270 2.846 2.741 2.952     .  0 0 "[    .    1    .    2]" 1 
       134 1 12 VAL MG2  1 13 HIS HB2  . . 4.810 4.290 4.101 4.479     .  0 0 "[    .    1    .    2]" 1 
       135 1 12 VAL MG2  1 14 HIS H    . . 4.050 2.001 1.878 2.164     .  0 0 "[    .    1    .    2]" 1 
       136 1 12 VAL MG2  1 14 HIS HA   . . 4.390 3.853 3.733 3.986     .  0 0 "[    .    1    .    2]" 1 
       137 1 12 VAL MG2  1 14 HIS QB   . . 4.330 2.052 1.903 2.300     .  0 0 "[    .    1    .    2]" 1 
       138 1 12 VAL MG2  1 15 GLN QG   . . 4.870 3.936 3.650 4.312     .  0 0 "[    .    1    .    2]" 1 
       139 1 13 HIS H    1 13 HIS HB2  . . 3.800 2.242 2.157 2.407     .  0 0 "[    .    1    .    2]" 1 
       140 1 13 HIS H    1 13 HIS HD1  . . 5.490 4.979 4.243 5.262     .  0 0 "[    .    1    .    2]" 1 
       141 1 13 HIS HA   1 13 HIS HD2  . . 4.450 2.832 2.289 3.758     .  0 0 "[    .    1    .    2]" 1 
       142 1 13 HIS HA   1 15 GLN H    . . 4.990 3.584 3.461 3.633     .  0 0 "[    .    1    .    2]" 1 
       143 1 13 HIS HB2  1 14 HIS H    . . 4.610 3.174 3.093 3.304     .  0 0 "[    .    1    .    2]" 1 
       144 1 14 HIS H    1 14 HIS HB2  . . 3.880 2.402 2.211 2.676     .  0 0 "[    .    1    .    2]" 1 
       145 1 14 HIS H    1 14 HIS QB   . . 3.370 2.316 2.146 2.606     .  0 0 "[    .    1    .    2]" 1 
       146 1 14 HIS H    1 14 HIS HB3  . . 3.880 3.112 2.624 3.591     .  0 0 "[    .    1    .    2]" 1 
       147 1 14 HIS H    1 15 GLN HA   . . 5.270 5.245 5.185 5.264     .  0 0 "[    .    1    .    2]" 1 
       148 1 14 HIS H    1 15 GLN QG   . . 4.910 4.681 4.642 4.719     .  0 0 "[    .    1    .    2]" 1 
       149 1 14 HIS HA   1 15 GLN HA   . . 5.500 4.732 4.729 4.738     .  0 0 "[    .    1    .    2]" 1 
       150 1 14 HIS QB   1 15 GLN HA   . . 5.030 4.015 3.948 4.159     .  0 0 "[    .    1    .    2]" 1 
       151 1 15 GLN H    1 15 GLN HB2  . . 3.820 3.572 3.568 3.574     .  0 0 "[    .    1    .    2]" 1 
       152 1 15 GLN H    1 15 GLN HB3  . . 3.820 2.333 2.321 2.338     .  0 0 "[    .    1    .    2]" 1 
       153 1 15 GLN H    1 15 GLN QG   . . 4.370 2.583 2.566 2.594     .  0 0 "[    .    1    .    2]" 1 
       154 1 15 GLN HA   1 15 GLN QG   . . 3.700 3.288 3.283 3.290     .  0 0 "[    .    1    .    2]" 1 
       155 1 15 GLN HA   1 17 LEU H    . . 3.940 3.348 3.347 3.349     .  0 0 "[    .    1    .    2]" 1 
       156 1 15 GLN HA   1 17 LEU HB2  . . 5.500 5.216 5.213 5.221     .  0 0 "[    .    1    .    2]" 1 
       157 1 15 GLN HA   1 17 LEU QB   . . 4.630 3.616 3.614 3.620     .  0 0 "[    .    1    .    2]" 1 
       158 1 15 GLN HA   1 17 LEU HB3  . . 5.500 3.688 3.686 3.692     .  0 0 "[    .    1    .    2]" 1 
       159 1 15 GLN HA   1 17 LEU MD2  . . 4.760 4.074 4.067 4.087     .  0 0 "[    .    1    .    2]" 1 
       160 1 15 GLN HA   1 18 VAL H    . . 4.930 3.862 3.860 3.863     .  0 0 "[    .    1    .    2]" 1 
       161 1 15 GLN QE   1 15 GLN QG   . . 3.100 2.248 2.103 2.558     .  0 0 "[    .    1    .    2]" 1 
       162 1 15 GLN HE22 1 15 GLN QG   . . 3.610 3.261 3.216 3.434     .  0 0 "[    .    1    .    2]" 1 
       163 1 15 GLN QG   1 16 LYS H    . . 4.840 2.841 2.818 2.883     .  0 0 "[    .    1    .    2]" 1 
       164 1 15 GLN QG   1 16 LYS HA   . . 3.950 3.255 3.248 3.258     .  0 0 "[    .    1    .    2]" 1 
       165 1 15 GLN QG   1 16 LYS QB   . . 4.560 3.920 3.907 3.943     .  0 0 "[    .    1    .    2]" 1 
       166 1 15 GLN QG   1 17 LEU H    . . 4.620 4.486 4.480 4.489     .  0 0 "[    .    1    .    2]" 1 
       167 1 15 GLN QG   1 17 LEU MD2  . . 5.500 5.587 5.584 5.588 0.088 19 0 "[    .    1    .    2]" 1 
       168 1 15 GLN QG   1 18 VAL MG1  . . 4.730 2.542 2.496 2.573     .  0 0 "[    .    1    .    2]" 1 
       169 1 16 LYS H    1 16 LYS HB2  . . 4.180 2.423 2.280 2.547     .  0 0 "[    .    1    .    2]" 1 
       170 1 16 LYS H    1 16 LYS QB   . . 3.580 2.231 2.185 2.249     .  0 0 "[    .    1    .    2]" 1 
       171 1 16 LYS H    1 16 LYS HB3  . . 4.180 2.633 2.501 2.799     .  0 0 "[    .    1    .    2]" 1 
       172 1 16 LYS H    1 16 LYS QD   . . 4.600 4.175 3.985 4.420     .  0 0 "[    .    1    .    2]" 1 
       173 1 16 LYS H    1 16 LYS HG2  . . 5.000 4.504 4.266 4.614     .  0 0 "[    .    1    .    2]" 1 
       174 1 16 LYS H    1 16 LYS QG   . . 4.310 3.997 3.884 4.052     .  0 0 "[    .    1    .    2]" 1 
       175 1 16 LYS H    1 16 LYS HG3  . . 5.000 4.479 4.433 4.540     .  0 0 "[    .    1    .    2]" 1 
       176 1 16 LYS H    1 17 LEU H    . . 4.640 2.754 2.754 2.755     .  0 0 "[    .    1    .    2]" 1 
       177 1 16 LYS HA   1 16 LYS QD   . . 4.120 2.573 2.003 3.529     .  0 0 "[    .    1    .    2]" 1 
       178 1 16 LYS HA   1 16 LYS QG   . . 3.430 2.684 2.240 2.989     .  0 0 "[    .    1    .    2]" 1 
       179 1 16 LYS HA   1 18 VAL H    . . 5.160 3.509 3.507 3.511     .  0 0 "[    .    1    .    2]" 1 
       180 1 16 LYS HA   1 18 VAL MG1  . . 3.960 2.828 2.802 2.847     .  0 0 "[    .    1    .    2]" 1 
       181 1 16 LYS HA   1 19 PHE QD   . . 5.210 4.821 4.820 4.823     .  0 0 "[    .    1    .    2]" 1 
       182 1 16 LYS QB   1 16 LYS QE   . . 4.020 3.612 3.334 3.775     .  0 0 "[    .    1    .    2]" 1 
       183 1 16 LYS QB   1 17 LEU H    . . 3.620 2.918 2.909 2.937     .  0 0 "[    .    1    .    2]" 1 
       184 1 16 LYS QB   1 18 VAL H    . . 5.000 4.577 4.543 4.606     .  0 0 "[    .    1    .    2]" 1 
       185 1 16 LYS HB2  1 16 LYS QE   . . 4.630 4.077 3.635 4.372     .  0 0 "[    .    1    .    2]" 1 
       186 1 16 LYS HB2  1 17 LEU H    . . 4.280 4.047 3.928 4.135     .  0 0 "[    .    1    .    2]" 1 
       187 1 16 LYS HB3  1 16 LYS QE   . . 4.630 4.080 3.811 4.402     .  0 0 "[    .    1    .    2]" 1 
       188 1 16 LYS HB3  1 17 LEU H    . . 4.280 2.993 2.987 3.005     .  0 0 "[    .    1    .    2]" 1 
       189 1 16 LYS QD   1 17 LEU H    . . 5.500 4.485 3.522 5.075     .  0 0 "[    .    1    .    2]" 1 
       190 1 16 LYS QD   1 18 VAL H    . . 5.430 5.006 4.684 5.420     .  0 0 "[    .    1    .    2]" 1 
       191 1 16 LYS QD   1 19 PHE H    . . 5.500 4.489 3.967 5.078     .  0 0 "[    .    1    .    2]" 1 
       192 1 16 LYS QE   1 16 LYS HG2  . . 3.710 2.661 2.052 3.259     .  0 0 "[    .    1    .    2]" 1 
       193 1 16 LYS QE   1 16 LYS HG3  . . 3.710 2.486 2.005 3.213     .  0 0 "[    .    1    .    2]" 1 
       194 1 16 LYS QE   1 18 VAL H    . . 5.500 5.094 4.193 5.485     .  0 0 "[    .    1    .    2]" 1 
       195 1 16 LYS QE   1 18 VAL MG1  . . 4.060 3.863 2.794 4.064 0.004 12 0 "[    .    1    .    2]" 1 
       196 1 16 LYS QE   1 19 PHE H    . . 4.150 3.617 3.061 4.065     .  0 0 "[    .    1    .    2]" 1 
       197 1 16 LYS QG   1 19 PHE HB3  . . 5.340 3.491 3.260 3.890     .  0 0 "[    .    1    .    2]" 1 
       198 1 16 LYS QG   1 19 PHE QD   . . 5.140 3.905 3.469 4.676     .  0 0 "[    .    1    .    2]" 1 
       199 1 17 LEU H    1 17 LEU HB2  . . 3.770 2.821 2.817 2.823     .  0 0 "[    .    1    .    2]" 1 
       200 1 17 LEU H    1 17 LEU QB   . . 3.200 2.146 2.144 2.148     .  0 0 "[    .    1    .    2]" 1 
       201 1 17 LEU H    1 17 LEU HB3  . . 3.770 2.224 2.222 2.228     .  0 0 "[    .    1    .    2]" 1 
       202 1 17 LEU H    1 18 VAL H    . . 3.810 2.692 2.690 2.693     .  0 0 "[    .    1    .    2]" 1 
       203 1 17 LEU HA   1 17 LEU MD2  . . 4.050 3.630 3.629 3.631     .  0 0 "[    .    1    .    2]" 1 
       204 1 17 LEU HA   1 17 LEU HG   . . 3.430 2.820 2.815 2.823     .  0 0 "[    .    1    .    2]" 1 
       205 1 17 LEU HA   1 18 VAL HA   . . 4.970 4.872 4.870 4.874     .  0 0 "[    .    1    .    2]" 1 
       206 1 17 LEU HA   1 19 PHE H    . . 4.850 3.444 3.443 3.445     .  0 0 "[    .    1    .    2]" 1 
       207 1 17 LEU HA   1 19 PHE QD   . . 4.850 2.050 2.048 2.053     .  0 0 "[    .    1    .    2]" 1 
       208 1 17 LEU HA   1 19 PHE QE   . . 4.580 2.454 2.452 2.458     .  0 0 "[    .    1    .    2]" 1 
       209 1 17 LEU HA   1 20 PHE H    . . 5.490 4.035 4.034 4.037     .  0 0 "[    .    1    .    2]" 1 
       210 1 17 LEU QB   1 17 LEU MD1  . . 3.240 2.050 1.960 2.089     .  0 0 "[    .    1    .    2]" 1 
       211 1 17 LEU QB   1 17 LEU MD2  . . 2.800 2.057 2.056 2.058     .  0 0 "[    .    1    .    2]" 1 
       212 1 17 LEU QB   1 18 VAL H    . . 3.780 3.108 3.106 3.110     .  0 0 "[    .    1    .    2]" 1 
       213 1 17 LEU QB   1 19 PHE H    . . 5.260 4.663 4.662 4.664     .  0 0 "[    .    1    .    2]" 1 
       214 1 17 LEU QB   1 19 PHE QD   . . 4.610 3.990 3.988 3.994     .  0 0 "[    .    1    .    2]" 1 
       215 1 17 LEU QB   1 19 PHE QE   . . 5.110 3.764 3.759 3.772     .  0 0 "[    .    1    .    2]" 1 
       216 1 17 LEU HB2  1 17 LEU MD2  . . 3.510 3.122 3.122 3.123     .  0 0 "[    .    1    .    2]" 1 
       217 1 17 LEU HB2  1 18 VAL H    . . 4.540 4.302 4.301 4.303     .  0 0 "[    .    1    .    2]" 1 
       218 1 17 LEU HB3  1 17 LEU MD2  . . 3.510 2.086 2.085 2.087     .  0 0 "[    .    1    .    2]" 1 
       219 1 17 LEU HB3  1 18 VAL H    . . 4.540 3.188 3.187 3.191     .  0 0 "[    .    1    .    2]" 1 
       220 1 17 LEU MD1  1 19 PHE QE   . . 4.130 4.035 4.009 4.095     .  0 0 "[    .    1    .    2]" 1 
       221 1 17 LEU MD1  1 20 PHE HB3  . . 5.090 4.459 4.422 4.476     .  0 0 "[    .    1    .    2]" 1 
       222 1 17 LEU MD1  1 20 PHE QD   . . 4.960 4.745 4.735 4.759     .  0 0 "[    .    1    .    2]" 1 
       223 1 17 LEU MD2  1 18 VAL H    . . 4.030 2.921 2.918 2.935     .  0 0 "[    .    1    .    2]" 1 
       224 1 17 LEU MD2  1 19 PHE QD   . . 4.890 4.475 4.473 4.476     .  0 0 "[    .    1    .    2]" 1 
       225 1 17 LEU MD2  1 20 PHE QD   . . 4.040 2.949 2.945 2.953     .  0 0 "[    .    1    .    2]" 1 
       226 1 17 LEU MD2  1 20 PHE QE   . . 3.840 3.152 3.148 3.154     .  0 0 "[    .    1    .    2]" 1 
       227 1 17 LEU HG   1 18 VAL H    . . 4.480 4.309 4.307 4.318     .  0 0 "[    .    1    .    2]" 1 
       228 1 17 LEU HG   1 18 VAL HA   . . 5.000 4.266 4.262 4.276     .  0 0 "[    .    1    .    2]" 1 
       229 1 17 LEU HG   1 19 PHE QD   . . 4.390 3.890 3.885 3.891     .  0 0 "[    .    1    .    2]" 1 
       230 1 17 LEU HG   1 19 PHE QE   . . 4.460 3.467 3.458 3.469     .  0 0 "[    .    1    .    2]" 1 
       231 1 17 LEU HG   1 19 PHE HZ   . . 5.500 5.522 5.520 5.524 0.024 13 0 "[    .    1    .    2]" 1 
       232 1 17 LEU HG   1 20 PHE HB2  . . 4.870 4.875 4.873 4.877 0.007 17 0 "[    .    1    .    2]" 1 
       233 1 17 LEU HG   1 20 PHE QD   . . 4.650 3.719 3.715 3.727     .  0 0 "[    .    1    .    2]" 1 
       234 1 18 VAL H    1 18 VAL HB   . . 3.380 2.543 2.541 2.544     .  0 0 "[    .    1    .    2]" 1 
       235 1 18 VAL H    1 18 VAL MG1  . . 3.050 2.206 2.158 2.250     .  0 0 "[    .    1    .    2]" 1 
       236 1 18 VAL H    1 19 PHE H    . . 4.120 2.711 2.708 2.712     .  0 0 "[    .    1    .    2]" 1 
       237 1 18 VAL H    1 20 PHE H    . . 4.610 4.509 4.506 4.510     .  0 0 "[    .    1    .    2]" 1 
       238 1 18 VAL HA   1 18 VAL MG1  . . 3.260 3.187 3.185 3.189     .  0 0 "[    .    1    .    2]" 1 
       239 1 18 VAL HA   1 18 VAL MG2  . . 3.170 2.348 2.330 2.352     .  0 0 "[    .    1    .    2]" 1 
       240 1 18 VAL HA   1 19 PHE HA   . . 4.940 4.909 4.907 4.910     .  0 0 "[    .    1    .    2]" 1 
       241 1 18 VAL HA   1 20 PHE H    . . 5.450 3.598 3.592 3.599     .  0 0 "[    .    1    .    2]" 1 
       242 1 18 VAL HA   1 20 PHE HB3  . . 4.970 4.597 4.596 4.600     .  0 0 "[    .    1    .    2]" 1 
       243 1 18 VAL HA   1 20 PHE QE   . . 4.700 2.378 2.375 2.380     .  0 0 "[    .    1    .    2]" 1 
       244 1 18 VAL HA   1 21 ALA H    . . 5.500 3.715 3.712 3.717     .  0 0 "[    .    1    .    2]" 1 
       245 1 18 VAL HA   1 21 ALA MB   . . 4.500 3.912 3.816 3.945     .  0 0 "[    .    1    .    2]" 1 
       246 1 18 VAL HB   1 20 PHE QE   . . 4.570 4.194 4.192 4.197     .  0 0 "[    .    1    .    2]" 1 
       247 1 18 VAL MG1  1 19 PHE H    . . 3.430 2.208 2.177 2.248     .  0 0 "[    .    1    .    2]" 1 
       248 1 18 VAL MG1  1 19 PHE HA   . . 4.300 3.376 3.357 3.388     .  0 0 "[    .    1    .    2]" 1 
       249 1 18 VAL MG1  1 19 PHE HB3  . . 4.430 3.593 3.564 3.626     .  0 0 "[    .    1    .    2]" 1 
       250 1 18 VAL MG1  1 19 PHE QD   . . 4.940 4.017 4.013 4.025     .  0 0 "[    .    1    .    2]" 1 
       251 1 18 VAL MG1  1 20 PHE QD   . . 5.280 4.427 4.421 4.434     .  0 0 "[    .    1    .    2]" 1 
       252 1 18 VAL MG2  1 19 PHE H    . . 4.750 3.832 3.830 3.841     .  0 0 "[    .    1    .    2]" 1 
       253 1 18 VAL MG2  1 19 PHE HA   . . 4.690 3.821 3.819 3.832     .  0 0 "[    .    1    .    2]" 1 
       254 1 18 VAL MG2  1 19 PHE HB3  . . 5.270 5.277 5.275 5.282 0.012 17 0 "[    .    1    .    2]" 1 
       255 1 18 VAL MG2  1 20 PHE QD   . . 4.520 3.552 3.540 3.554     .  0 0 "[    .    1    .    2]" 1 
       256 1 18 VAL MG2  1 20 PHE QE   . . 4.000 2.838 2.815 2.842     .  0 0 "[    .    1    .    2]" 1 
       257 1 18 VAL MG2  1 21 ALA H    . . 5.000 3.517 3.514 3.528     .  0 0 "[    .    1    .    2]" 1 
       258 1 18 VAL MG2  1 21 ALA HA   . . 5.500 5.215 5.152 5.236     .  0 0 "[    .    1    .    2]" 1 
       259 1 18 VAL MG2  1 21 ALA MB   . . 3.880 2.766 2.671 2.846     .  0 0 "[    .    1    .    2]" 1 
       260 1 18 VAL MG2  1 22 GLU HA   . . 5.500 5.088 4.923 5.494     .  0 0 "[    .    1    .    2]" 1 
       261 1 19 PHE H    1 19 PHE HB2  . . 3.870 3.537 3.536 3.537     .  0 0 "[    .    1    .    2]" 1 
       262 1 19 PHE H    1 19 PHE HB3  . . 3.700 2.257 2.256 2.257     .  0 0 "[    .    1    .    2]" 1 
       263 1 19 PHE H    1 19 PHE QD   . . 3.960 2.192 2.189 2.193     .  0 0 "[    .    1    .    2]" 1 
       264 1 19 PHE HA   1 19 PHE QD   . . 3.980 3.708 3.707 3.708     .  0 0 "[    .    1    .    2]" 1 
       265 1 19 PHE HB2  1 38 GLY HA2  . . 4.500 3.384 2.082 4.357     .  0 0 "[    .    1    .    2]" 1 
       266 1 19 PHE HB2  1 38 GLY HA3  . . 5.500 4.543 3.573 5.305     .  0 0 "[    .    1    .    2]" 1 
       267 1 19 PHE HB3  1 38 GLY HA2  . . 5.460 4.642 3.195 5.459     .  0 0 "[    .    1    .    2]" 1 
       268 1 19 PHE QD   1 20 PHE HA   . . 4.320 3.849 3.846 3.856     .  0 0 "[    .    1    .    2]" 1 
       269 1 19 PHE QD   1 38 GLY HA2  . . 4.070 3.259 2.031 3.993     .  0 0 "[    .    1    .    2]" 1 
       270 1 19 PHE QD   1 38 GLY HA3  . . 4.960 3.907 2.442 4.704     .  0 0 "[    .    1    .    2]" 1 
       271 1 19 PHE QD   1 39 VAL QG   . . 5.320 5.037 4.647 5.296     .  0 0 "[    .    1    .    2]" 1 
       272 1 19 PHE QE   1 20 PHE H    . . 5.280 3.788 3.787 3.791     .  0 0 "[    .    1    .    2]" 1 
       273 1 19 PHE QE   1 20 PHE HA   . . 4.500 4.016 4.012 4.024     .  0 0 "[    .    1    .    2]" 1 
       274 1 19 PHE QE   1 20 PHE HB3  . . 3.970 3.770 3.763 3.773     .  0 0 "[    .    1    .    2]" 1 
       275 1 20 PHE H    1 20 PHE HB2  . . 3.730 3.522 3.521 3.522     .  0 0 "[    .    1    .    2]" 1 
       276 1 20 PHE H    1 20 PHE HB3  . . 3.980 2.228 2.227 2.230     .  0 0 "[    .    1    .    2]" 1 
       277 1 20 PHE H    1 20 PHE QD   . . 4.270 2.206 2.198 2.208     .  0 0 "[    .    1    .    2]" 1 
       278 1 20 PHE HB3  1 21 ALA MB   . . 5.500 5.002 4.959 5.086     .  0 0 "[    .    1    .    2]" 1 
       279 1 20 PHE QD   1 21 ALA H    . . 4.490 2.394 2.392 2.395     .  0 0 "[    .    1    .    2]" 1 
       280 1 20 PHE QD   1 21 ALA HA   . . 4.310 4.139 4.072 4.166     .  0 0 "[    .    1    .    2]" 1 
       281 1 20 PHE QD   1 21 ALA MB   . . 4.310 3.274 3.162 3.345     .  0 0 "[    .    1    .    2]" 1 
       282 1 20 PHE QD   1 22 GLU H    . . 4.890 4.354 4.295 4.517     .  0 0 "[    .    1    .    2]" 1 
       283 1 20 PHE QE   1 21 ALA H    . . 4.790 3.633 3.633 3.634     .  0 0 "[    .    1    .    2]" 1 
       284 1 20 PHE QE   1 21 ALA HA   . . 4.690 4.499 4.377 4.546     .  0 0 "[    .    1    .    2]" 1 
       285 1 20 PHE QE   1 21 ALA MB   . . 3.800 2.814 2.708 2.884     .  0 0 "[    .    1    .    2]" 1 
       286 1 21 ALA H    1 21 ALA MB   . . 2.870 2.308 2.223 2.339     .  0 0 "[    .    1    .    2]" 1 
       287 1 21 ALA H    1 22 GLU H    . . 4.110 2.216 2.163 2.362     .  0 0 "[    .    1    .    2]" 1 
       288 1 21 ALA H    1 23 ASP H    . . 5.170 3.796 3.747 3.815     .  0 0 "[    .    1    .    2]" 1 
       289 1 21 ALA MB   1 22 GLU H    . . 3.080 2.864 2.707 2.925     .  0 0 "[    .    1    .    2]" 1 
       290 1 21 ALA MB   1 22 GLU HB2  . . 4.140 4.048 3.950 4.097     .  0 0 "[    .    1    .    2]" 1 
       291 1 21 ALA MB   1 22 GLU HB3  . . 5.500 5.008 4.927 5.087     .  0 0 "[    .    1    .    2]" 1 
       292 1 21 ALA MB   1 22 GLU QG   . . 5.110 5.004 4.896 5.090     .  0 0 "[    .    1    .    2]" 1 
       293 1 21 ALA MB   1 23 ASP H    . . 5.500 4.469 4.316 4.502     .  0 0 "[    .    1    .    2]" 1 
       294 1 21 ALA MB   1 24 VAL QG   . . 3.790 3.073 2.863 3.691     .  0 0 "[    .    1    .    2]" 1 
       295 1 22 GLU H    1 22 GLU HB2  . . 3.760 2.402 2.333 2.468     .  0 0 "[    .    1    .    2]" 1 
       296 1 22 GLU H    1 22 GLU HB3  . . 3.380 2.722 2.647 2.798     .  0 0 "[    .    1    .    2]" 1 
       297 1 22 GLU H    1 22 GLU QG   . . 4.070 3.959 3.922 3.990     .  0 0 "[    .    1    .    2]" 1 
       298 1 22 GLU H    1 23 ASP H    . . 4.210 2.423 2.397 2.458     .  0 0 "[    .    1    .    2]" 1 
       299 1 22 GLU HA   1 23 ASP HA   . . 4.750 4.600 4.568 4.666     .  0 0 "[    .    1    .    2]" 1 
       300 1 22 GLU HA   1 24 VAL H    . . 4.830 3.694 3.412 3.857     .  0 0 "[    .    1    .    2]" 1 
       301 1 22 GLU HB2  1 23 ASP H    . . 4.470 3.909 3.819 4.072     .  0 0 "[    .    1    .    2]" 1 
       302 1 22 GLU HB2  1 24 VAL QG   . . 5.260 5.077 4.995 5.139     .  0 0 "[    .    1    .    2]" 1 
       303 1 22 GLU HB3  1 23 ASP H    . . 4.260 3.021 2.953 3.333     .  0 0 "[    .    1    .    2]" 1 
       304 1 22 GLU HB3  1 24 VAL H    . . 5.500 5.052 4.908 5.180     .  0 0 "[    .    1    .    2]" 1 
       305 1 22 GLU QG   1 23 ASP H    . . 4.790 4.327 4.172 4.554     .  0 0 "[    .    1    .    2]" 1 
       306 1 22 GLU QG   1 24 VAL QG   . . 4.710 4.540 4.032 4.711 0.001 18 0 "[    .    1    .    2]" 1 
       307 1 23 ASP H    1 23 ASP HB2  . . 3.840 2.506 2.305 2.650     .  0 0 "[    .    1    .    2]" 1 
       308 1 23 ASP H    1 23 ASP QB   . . 3.200 2.365 2.262 2.415     .  0 0 "[    .    1    .    2]" 1 
       309 1 23 ASP H    1 23 ASP HB3  . . 3.840 3.033 2.737 3.629     .  0 0 "[    .    1    .    2]" 1 
       310 1 23 ASP H    1 24 VAL H    . . 3.880 2.966 2.765 3.383     .  0 0 "[    .    1    .    2]" 1 
       311 1 23 ASP H    1 24 VAL HA   . . 4.910 4.668 4.553 4.874     .  0 0 "[    .    1    .    2]" 1 
       312 1 23 ASP H    1 24 VAL QG   . . 3.990 3.383 3.249 3.708     .  0 0 "[    .    1    .    2]" 1 
       313 1 23 ASP HA   1 24 VAL H    . . 3.050 2.824 2.652 2.969     .  0 0 "[    .    1    .    2]" 1 
       314 1 23 ASP HA   1 24 VAL QG   . . 4.360 3.886 3.801 3.982     .  0 0 "[    .    1    .    2]" 1 
       315 1 23 ASP HA   1 25 GLY H    . . 4.590 3.396 3.259 3.535     .  0 0 "[    .    1    .    2]" 1 
       316 1 23 ASP QB   1 24 VAL H    . . 3.920 3.852 3.758 3.926 0.006 13 0 "[    .    1    .    2]" 1 
       317 1 23 ASP QB   1 24 VAL QG   . . 4.240 4.149 3.949 4.260 0.020  8 0 "[    .    1    .    2]" 1 
       318 1 23 ASP QB   1 25 GLY H    . . 5.340 4.885 4.431 5.046     .  0 0 "[    .    1    .    2]" 1 
       319 1 23 ASP HB2  1 24 VAL H    . . 4.580 4.462 4.112 4.578     .  0 0 "[    .    1    .    2]" 1 
       320 1 23 ASP HB2  1 24 VAL QG   . . 4.990 4.864 4.455 5.009 0.019 13 0 "[    .    1    .    2]" 1 
       321 1 23 ASP HB3  1 24 VAL H    . . 4.580 4.225 4.037 4.401     .  0 0 "[    .    1    .    2]" 1 
       322 1 23 ASP HB3  1 24 VAL QG   . . 4.990 4.539 4.175 4.937     .  0 0 "[    .    1    .    2]" 1 
       323 1 24 VAL H    1 24 VAL HB   . . 3.660 3.620 3.600 3.632     .  0 0 "[    .    1    .    2]" 1 
       324 1 24 VAL H    1 24 VAL QG   . . 2.760 1.881 1.850 1.971     .  0 0 "[    .    1    .    2]" 1 
       325 1 24 VAL H    1 25 GLY H    . . 3.940 2.432 2.404 2.696     .  0 0 "[    .    1    .    2]" 1 
       326 1 24 VAL HA   1 24 VAL QG   . . 2.880 2.281 2.207 2.320     .  0 0 "[    .    1    .    2]" 1 
       327 1 24 VAL HA   1 25 GLY H    . . 3.530 3.478 3.466 3.502     .  0 0 "[    .    1    .    2]" 1 
       328 1 24 VAL HA   1 25 GLY QA   . . 4.630 4.320 4.200 4.368     .  0 0 "[    .    1    .    2]" 1 
       329 1 24 VAL HB   1 25 GLY H    . . 4.100 3.862 3.774 3.932     .  0 0 "[    .    1    .    2]" 1 
       330 1 24 VAL HB   1 25 GLY QA   . . 4.680 4.202 4.117 4.269     .  0 0 "[    .    1    .    2]" 1 
       331 1 24 VAL QG   1 25 GLY H    . . 3.490 2.116 1.925 2.288     .  0 0 "[    .    1    .    2]" 1 
       332 1 24 VAL QG   1 25 GLY QA   . . 3.760 3.103 2.985 3.239     .  0 0 "[    .    1    .    2]" 1 
       333 1 25 GLY QA   1 26 SER H    . . 3.550 2.177 2.110 2.255     .  0 0 "[    .    1    .    2]" 1 
       334 1 25 GLY QA   1 26 SER HA   . . 4.590 3.965 3.940 4.024     .  0 0 "[    .    1    .    2]" 1 
       335 1 26 SER H    1 27 ASN H    . . 5.340 4.449 3.953 4.583     .  0 0 "[    .    1    .    2]" 1 
       336 1 27 ASN QB   1 27 ASN QD   . . 3.020 2.111 2.064 2.222     .  0 0 "[    .    1    .    2]" 1 
       337 1 27 ASN QB   1 28 LYS H    . . 4.370 2.662 1.975 3.900     .  0 0 "[    .    1    .    2]" 1 
       338 1 27 ASN QB   1 30 ALA MB   . . 4.040 2.808 2.053 3.779     .  0 0 "[    .    1    .    2]" 1 
       339 1 27 ASN HB2  1 27 ASN HD22 . . 4.010 3.608 3.433 4.005     .  0 0 "[    .    1    .    2]" 1 
       340 1 27 ASN HB2  1 28 LYS H    . . 4.980 3.490 2.258 4.452     .  0 0 "[    .    1    .    2]" 1 
       341 1 27 ASN HB2  1 30 ALA MB   . . 4.870 3.304 2.085 4.661     .  0 0 "[    .    1    .    2]" 1 
       342 1 27 ASN HB3  1 27 ASN HD22 . . 4.010 3.718 3.443 4.008     .  0 0 "[    .    1    .    2]" 1 
       343 1 27 ASN HB3  1 28 LYS H    . . 4.980 2.979 1.985 4.473     .  0 0 "[    .    1    .    2]" 1 
       344 1 27 ASN HB3  1 30 ALA MB   . . 4.870 3.320 2.119 4.727     .  0 0 "[    .    1    .    2]" 1 
       345 1 27 ASN QD   1 30 ALA MB   . . 3.980 2.806 1.918 3.551     .  0 0 "[    .    1    .    2]" 1 
       346 1 27 ASN QD   1 36 VAL QG   . . 4.260 3.184 2.027 3.969     .  0 0 "[    .    1    .    2]" 1 
       347 1 27 ASN HD21 1 30 ALA MB   . . 4.600 2.934 1.928 3.718     .  0 0 "[    .    1    .    2]" 1 
       348 1 27 ASN HD21 1 36 VAL QG   . . 4.860 3.586 2.272 4.543     .  0 0 "[    .    1    .    2]" 1 
       349 1 27 ASN HD22 1 30 ALA MB   . . 4.600 3.854 2.436 4.567     .  0 0 "[    .    1    .    2]" 1 
       350 1 27 ASN HD22 1 36 VAL QG   . . 4.860 3.680 2.277 4.855     .  0 0 "[    .    1    .    2]" 1 
       351 1 28 LYS H    1 28 LYS QB   . . 3.600 2.468 2.172 3.398     .  0 0 "[    .    1    .    2]" 1 
       352 1 28 LYS H    1 28 LYS QG   . . 4.420 2.802 1.939 3.812     .  0 0 "[    .    1    .    2]" 1 
       353 1 28 LYS H    1 29 GLY H    . . 4.230 2.536 1.993 3.182     .  0 0 "[    .    1    .    2]" 1 
       354 1 28 LYS HA   1 29 GLY QA   . . 4.260 4.229 4.149 4.259     .  0 0 "[    .    1    .    2]" 1 
       355 1 28 LYS HB2  1 29 GLY QA   . . 4.580 4.094 3.747 4.345     .  0 0 "[    .    1    .    2]" 1 
       356 1 28 LYS HB3  1 29 GLY QA   . . 4.580 4.058 3.597 4.616 0.036 20 0 "[    .    1    .    2]" 1 
       357 1 28 LYS QG   1 29 GLY H    . . 5.050 4.192 3.641 4.632     .  0 0 "[    .    1    .    2]" 1 
       358 1 28 LYS QG   1 29 GLY QA   . . 5.220 5.179 5.042 5.276 0.056 20 0 "[    .    1    .    2]" 1 
       359 1 29 GLY H    1 30 ALA H    . . 4.620 3.160 1.933 4.257     .  0 0 "[    .    1    .    2]" 1 
       360 1 29 GLY H    1 30 ALA MB   . . 5.500 4.048 3.454 4.872     .  0 0 "[    .    1    .    2]" 1 
       361 1 29 GLY QA   1 30 ALA H    . . 3.240 2.358 2.111 2.833     .  0 0 "[    .    1    .    2]" 1 
       362 1 29 GLY QA   1 30 ALA HA   . . 4.630 4.161 3.944 4.530     .  0 0 "[    .    1    .    2]" 1 
       363 1 29 GLY QA   1 30 ALA MB   . . 4.150 3.820 3.719 4.039     .  0 0 "[    .    1    .    2]" 1 
       364 1 29 GLY QA   1 31 ILE H    . . 4.750 3.342 3.094 3.645     .  0 0 "[    .    1    .    2]" 1 
       365 1 29 GLY QA   1 31 ILE QG   . . 5.390 3.971 3.242 4.877     .  0 0 "[    .    1    .    2]" 1 
       366 1 29 GLY QA   1 31 ILE MG   . . 4.550 3.257 2.790 3.775     .  0 0 "[    .    1    .    2]" 1 
       367 1 30 ALA H    1 30 ALA MB   . . 3.260 2.605 2.220 2.874     .  0 0 "[    .    1    .    2]" 1 
       368 1 30 ALA H    1 31 ILE H    . . 4.040 2.759 2.460 3.118     .  0 0 "[    .    1    .    2]" 1 
       369 1 30 ALA H    1 31 ILE QG   . . 4.560 4.234 3.781 4.559     .  0 0 "[    .    1    .    2]" 1 
       370 1 30 ALA H    1 31 ILE MG   . . 4.760 3.794 3.275 4.160     .  0 0 "[    .    1    .    2]" 1 
       371 1 30 ALA HA   1 31 ILE H    . . 3.070 2.837 2.697 2.964     .  0 0 "[    .    1    .    2]" 1 
       372 1 30 ALA HA   1 32 ILE H    . . 4.400 3.228 3.141 3.359     .  0 0 "[    .    1    .    2]" 1 
       373 1 30 ALA HA   1 32 ILE HB   . . 5.460 4.289 4.006 5.179     .  0 0 "[    .    1    .    2]" 1 
       374 1 30 ALA MB   1 31 ILE H    . . 3.750 3.665 3.606 3.711     .  0 0 "[    .    1    .    2]" 1 
       375 1 30 ALA MB   1 31 ILE HA   . . 5.060 4.276 4.188 4.399     .  0 0 "[    .    1    .    2]" 1 
       376 1 30 ALA MB   1 36 VAL QG   . . 4.260 3.205 2.205 3.921     .  0 0 "[    .    1    .    2]" 1 
       377 1 31 ILE H    1 31 ILE HB   . . 3.760 3.612 3.602 3.623     .  0 0 "[    .    1    .    2]" 1 
       378 1 31 ILE H    1 31 ILE MD   . . 3.790 3.661 3.588 3.744     .  0 0 "[    .    1    .    2]" 1 
       379 1 31 ILE H    1 31 ILE QG   . . 3.580 2.014 1.926 2.120     .  0 0 "[    .    1    .    2]" 1 
       380 1 31 ILE H    1 31 ILE MG   . . 3.670 2.344 2.196 2.507     .  0 0 "[    .    1    .    2]" 1 
       381 1 31 ILE H    1 32 ILE H    . . 4.220 2.632 2.441 2.726     .  0 0 "[    .    1    .    2]" 1 
       382 1 31 ILE H    1 33 GLY H    . . 5.500 4.206 3.868 4.377     .  0 0 "[    .    1    .    2]" 1 
       383 1 31 ILE QG   1 31 ILE MG   . . 2.760 2.238 2.170 2.330     .  0 0 "[    .    1    .    2]" 1 
       384 1 31 ILE QG   1 32 ILE H    . . 3.630 2.270 2.132 2.357     .  0 0 "[    .    1    .    2]" 1 
       385 1 31 ILE QG   1 32 ILE HA   . . 4.390 3.402 3.203 3.941     .  0 0 "[    .    1    .    2]" 1 
       386 1 31 ILE QG   1 32 ILE QG   . . 3.030 2.252 1.998 2.567     .  0 0 "[    .    1    .    2]" 1 
       387 1 31 ILE QG   1 33 GLY H    . . 4.580 4.398 3.855 4.502     .  0 0 "[    .    1    .    2]" 1 
       388 1 32 ILE H    1 32 ILE HB   . . 3.130 2.565 2.513 2.647     .  0 0 "[    .    1    .    2]" 1 
       389 1 32 ILE H    1 32 ILE QG   . . 3.660 2.213 1.940 2.916     .  0 0 "[    .    1    .    2]" 1 
       390 1 32 ILE H    1 33 GLY H    . . 4.260 2.495 1.902 2.737     .  0 0 "[    .    1    .    2]" 1 
       391 1 32 ILE HA   1 32 ILE MD   . . 3.980 3.632 2.057 3.882     .  0 0 "[    .    1    .    2]" 1 
       392 1 32 ILE HA   1 33 GLY QA   . . 4.420 4.326 4.238 4.372     .  0 0 "[    .    1    .    2]" 1 
       393 1 32 ILE HB   1 33 GLY H    . . 4.020 2.831 2.605 2.954     .  0 0 "[    .    1    .    2]" 1 
       394 1 32 ILE HB   1 33 GLY QA   . . 4.750 3.915 3.798 3.967     .  0 0 "[    .    1    .    2]" 1 
       395 1 32 ILE QG   1 33 GLY H    . . 4.990 4.065 3.824 4.427     .  0 0 "[    .    1    .    2]" 1 
       396 1 33 GLY QA   1 34 LEU H    . . 3.390 2.136 2.110 2.202     .  0 0 "[    .    1    .    2]" 1 
       397 1 33 GLY QA   1 34 LEU HA   . . 4.960 4.064 3.989 4.133     .  0 0 "[    .    1    .    2]" 1 
       398 1 33 GLY QA   1 34 LEU QB   . . 4.000 3.923 3.836 3.999     .  0 0 "[    .    1    .    2]" 1 
       399 1 34 LEU H    1 34 LEU QB   . . 2.990 2.180 2.105 2.269     .  0 0 "[    .    1    .    2]" 1 
       400 1 34 LEU H    1 35 MET H    . . 4.310 2.692 2.481 2.952     .  0 0 "[    .    1    .    2]" 1 
       401 1 34 LEU HA   1 34 LEU MD1  . . 4.260 3.066 1.988 3.825     .  0 0 "[    .    1    .    2]" 1 
       402 1 34 LEU HA   1 34 LEU QD   . . 3.100 2.399 1.960 2.924     .  0 0 "[    .    1    .    2]" 1 
       403 1 34 LEU HA   1 34 LEU MD2  . . 4.260 2.980 2.031 3.913     .  0 0 "[    .    1    .    2]" 1 
       404 1 34 LEU QB   1 34 LEU MD1  . . 3.140 2.116 1.958 2.336     .  0 0 "[    .    1    .    2]" 1 
       405 1 34 LEU QB   1 34 LEU QD   . . 2.640 1.883 1.768 2.005     .  0 0 "[    .    1    .    2]" 1 
       406 1 34 LEU QB   1 34 LEU MD2  . . 3.140 2.126 1.975 2.269     .  0 0 "[    .    1    .    2]" 1 
       407 1 34 LEU QB   1 35 MET H    . . 3.690 2.531 2.309 2.860     .  0 0 "[    .    1    .    2]" 1 
       408 1 34 LEU QB   1 35 MET QB   . . 3.770 3.591 3.338 3.761     .  0 0 "[    .    1    .    2]" 1 
       409 1 34 LEU QD   1 35 MET H    . . 4.300 3.788 3.369 4.193     .  0 0 "[    .    1    .    2]" 1 
       410 1 34 LEU QD   1 35 MET QG   . . 4.300 3.472 2.018 4.299     .  0 0 "[    .    1    .    2]" 1 
       411 1 35 MET H    1 35 MET HG2  . . 4.220 3.047 2.223 4.153     .  0 0 "[    .    1    .    2]" 1 
       412 1 35 MET H    1 35 MET HG3  . . 4.220 3.518 2.429 4.216     .  0 0 "[    .    1    .    2]" 1 
       413 1 35 MET H    1 36 VAL H    . . 4.440 4.401 4.220 4.438     .  0 0 "[    .    1    .    2]" 1 
       414 1 35 MET HA   1 36 VAL H    . . 3.130 2.317 2.171 2.413     .  0 0 "[    .    1    .    2]" 1 
       415 1 35 MET HA   1 36 VAL QG   . . 4.010 3.293 3.131 3.511     .  0 0 "[    .    1    .    2]" 1 
       416 1 35 MET QB   1 36 VAL H    . . 3.820 2.628 2.376 3.146     .  0 0 "[    .    1    .    2]" 1 
       417 1 35 MET HB2  1 36 VAL H    . . 4.480 3.150 2.497 4.309     .  0 0 "[    .    1    .    2]" 1 
       418 1 35 MET HB3  1 36 VAL H    . . 4.480 3.395 2.406 3.991     .  0 0 "[    .    1    .    2]" 1 
       419 1 35 MET QG   1 36 VAL H    . . 4.290 3.904 3.499 4.260     .  0 0 "[    .    1    .    2]" 1 
       420 1 35 MET QG   1 36 VAL QG   . . 5.340 4.618 4.093 5.116     .  0 0 "[    .    1    .    2]" 1 
       421 1 35 MET HG2  1 36 VAL H    . . 5.100 4.507 3.813 5.042     .  0 0 "[    .    1    .    2]" 1 
       422 1 35 MET HG3  1 36 VAL H    . . 5.100 4.475 3.644 5.060     .  0 0 "[    .    1    .    2]" 1 
       423 1 36 VAL H    1 36 VAL QG   . . 3.080 2.323 1.901 2.743     .  0 0 "[    .    1    .    2]" 1 
       424 1 36 VAL HA   1 36 VAL QG   . . 3.050 2.141 2.042 2.314     .  0 0 "[    .    1    .    2]" 1 
       425 1 36 VAL HA   1 37 GLY H    . . 3.440 2.265 2.170 2.426     .  0 0 "[    .    1    .    2]" 1 
       426 1 36 VAL HA   1 37 GLY QA   . . 4.850 3.900 3.891 3.929     .  0 0 "[    .    1    .    2]" 1 
       427 1 36 VAL HB   1 37 GLY H    . . 4.220 3.317 2.332 4.049     .  0 0 "[    .    1    .    2]" 1 
       428 1 36 VAL HB   1 37 GLY QA   . . 4.770 4.473 3.980 4.770     .  0 0 "[    .    1    .    2]" 1 
       429 1 36 VAL HB   1 38 GLY H    . . 4.570 2.957 2.414 3.540     .  0 0 "[    .    1    .    2]" 1 
       430 1 36 VAL HB   1 38 GLY HA3  . . 4.420 4.175 3.901 4.418     .  0 0 "[    .    1    .    2]" 1 
       431 1 36 VAL HB   1 39 VAL H    . . 4.350 3.485 2.626 4.229     .  0 0 "[    .    1    .    2]" 1 
       432 1 36 VAL QG   1 37 GLY H    . . 3.800 2.593 1.958 3.392     .  0 0 "[    .    1    .    2]" 1 
       433 1 36 VAL QG   1 37 GLY QA   . . 4.970 3.614 3.336 3.980     .  0 0 "[    .    1    .    2]" 1 
       434 1 36 VAL QG   1 38 GLY H    . . 3.390 2.287 1.873 3.046     .  0 0 "[    .    1    .    2]" 1 
       435 1 36 VAL QG   1 38 GLY HA3  . . 3.790 3.058 2.596 3.741     .  0 0 "[    .    1    .    2]" 1 
       436 1 37 GLY H    1 38 GLY H    . . 4.850 2.588 2.294 2.815     .  0 0 "[    .    1    .    2]" 1 
       437 1 37 GLY QA   1 38 GLY H    . . 3.300 2.850 2.740 2.871     .  0 0 "[    .    1    .    2]" 1 
       438 1 38 GLY H    1 38 GLY HA2  . . 2.940 2.811 2.766 2.878     .  0 0 "[    .    1    .    2]" 1 
       439 1 38 GLY H    1 39 VAL H    . . 4.550 2.677 2.458 2.835     .  0 0 "[    .    1    .    2]" 1 
       440 1 38 GLY HA3  1 39 VAL HA   . . 5.410 4.398 4.342 4.456     .  0 0 "[    .    1    .    2]" 1 
       441 1 39 VAL H    1 39 VAL QG   . . 3.370 2.098 1.872 2.555     .  0 0 "[    .    1    .    2]" 1 
       442 1 39 VAL H    1 40 VAL H    . . 3.880 2.211 1.953 2.572     .  0 0 "[    .    1    .    2]" 1 
       443 1 39 VAL HA   1 39 VAL QG   . . 3.290 2.193 2.059 2.333     .  0 0 "[    .    1    .    2]" 1 
       444 1 39 VAL HB   1 40 VAL H    . . 4.350 3.403 2.517 3.976     .  0 0 "[    .    1    .    2]" 1 
       445 1 39 VAL HB   1 40 VAL HA   . . 4.870 4.662 4.439 4.865     .  0 0 "[    .    1    .    2]" 1 
       446 1 39 VAL QG   1 40 VAL H    . . 3.580 2.584 1.926 3.422     .  0 0 "[    .    1    .    2]" 1 
       447 1 40 VAL H    1 40 VAL QG   . . 3.710 2.280 1.947 2.901     .  0 0 "[    .    1    .    2]" 1 
    stop_

save_



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