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
509360 2ytq 10222 cing 4-filtered-FRED Wattos check violation distance


data_2ytq


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              12
    _Distance_constraint_stats_list.Viol_count                    4
    _Distance_constraint_stats_list.Viol_total                    0.060
    _Distance_constraint_stats_list.Viol_max                      0.002
    _Distance_constraint_stats_list.Viol_rms                      0.0001
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0000
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0007
    _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 15 CYS 0.003 0.002 18 0 "[    .    1    .    2]" 
       1 18 CYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 31 HIS 0.002 0.002 18 0 "[    .    1    .    2]" 
       1 35 HIS 0.000 0.000  . 0 "[    .    1    .    2]" 
       2  1 ZN  0.001 0.000 16 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 15 CYS SG  2  1 ZN  ZN  . 2.190 2.390 2.261 2.190 2.390 0.000 16 0 "[    .    1    .    2]" 1 
        2 1 15 CYS CB  2  1 ZN  ZN  . 3.250 3.510 3.455 3.340 3.510     .  0 0 "[    .    1    .    2]" 1 
        3 1 18 CYS SG  2  1 ZN  ZN  . 2.190 2.390 2.290 2.211 2.388     .  0 0 "[    .    1    .    2]" 1 
        4 1 18 CYS CB  2  1 ZN  ZN  . 3.250 3.510 3.392 3.252 3.508     .  0 0 "[    .    1    .    2]" 1 
        5 1 31 HIS NE2 2  1 ZN  ZN  .     . 2.100 2.037 1.908 2.100     .  0 0 "[    .    1    .    2]" 1 
        6 1 35 HIS NE2 2  1 ZN  ZN  .     . 2.100 2.033 1.901 2.099     .  0 0 "[    .    1    .    2]" 1 
        7 1 15 CYS SG  1 18 CYS SG  . 3.560 3.960 3.776 3.597 3.953     .  0 0 "[    .    1    .    2]" 1 
        8 1 15 CYS SG  1 31 HIS NE2 . 3.320 3.720 3.594 3.351 3.722 0.002 18 0 "[    .    1    .    2]" 1 
        9 1 15 CYS SG  1 35 HIS NE2 . 3.320 3.720 3.502 3.321 3.707     .  0 0 "[    .    1    .    2]" 1 
       10 1 18 CYS SG  1 31 HIS NE2 . 3.320 3.720 3.509 3.320 3.720     .  0 0 "[    .    1    .    2]" 1 
       11 1 18 CYS SG  1 35 HIS NE2 . 3.320 3.720 3.483 3.322 3.643     .  0 0 "[    .    1    .    2]" 1 
       12 1 31 HIS NE2 1 35 HIS NE2 . 3.000 3.600 3.211 3.000 3.558     .  0 0 "[    .    1    .    2]" 1 
    stop_

save_


save_distance_constraint_statistics_2
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            2
    _Distance_constraint_stats_list.Constraint_count              432
    _Distance_constraint_stats_list.Viol_count                    31
    _Distance_constraint_stats_list.Viol_total                    4.917
    _Distance_constraint_stats_list.Viol_max                      0.077
    _Distance_constraint_stats_list.Viol_rms                      0.0010
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0000
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0079
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       .

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

       1 10 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 11 LYS 0.017 0.017 13 0 "[    .    1    .    2]" 
       1 12 PRO 0.017 0.017 13 0 "[    .    1    .    2]" 
       1 13 TYR 0.009 0.009 18 0 "[    .    1    .    2]" 
       1 14 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 15 CYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 16 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 17 GLU 0.008 0.007 18 0 "[    .    1    .    2]" 
       1 18 CYS 0.007 0.006 12 0 "[    .    1    .    2]" 
       1 19 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 20 LYS 0.001 0.001 14 0 "[    .    1    .    2]" 
       1 21 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 22 PHE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 23 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 24 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 25 LYS 0.020 0.020 18 0 "[    .    1    .    2]" 
       1 26 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 27 TYR 0.002 0.002 12 0 "[    .    1    .    2]" 
       1 28 LEU 0.017 0.009 18 0 "[    .    1    .    2]" 
       1 29 ILE 0.030 0.020 18 0 "[    .    1    .    2]" 
       1 30 ILE 0.007 0.006 18 0 "[    .    1    .    2]" 
       1 31 HIS 0.026 0.013 19 0 "[    .    1    .    2]" 
       1 32 MET 0.012 0.005 18 0 "[    .    1    .    2]" 
       1 33 ARG 0.155 0.077 19 0 "[    .    1    .    2]" 
       1 34 THR 0.004 0.003 14 0 "[    .    1    .    2]" 
       1 35 HIS 0.013 0.007 18 0 "[    .    1    .    2]" 
       1 36 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 37 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 38 GLU 0.000 0.000  1 0 "[    .    1    .    2]" 
       1 39 LYS 0.000 0.000  1 0 "[    .    1    .    2]" 
       1 40 PRO 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 42 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 43 PRO 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 13 TYR QD  1 25 LYS H    . . 4.940 4.159 3.395 4.735     .  0 0 "[    .    1    .    2]" 2 
         2 1 13 TYR QE  1 25 LYS H    . . 4.430 3.538 2.540 4.323     .  0 0 "[    .    1    .    2]" 2 
         3 1 24 SER HB2 1 25 LYS H    . . 4.510 3.348 2.249 4.396     .  0 0 "[    .    1    .    2]" 2 
         4 1 24 SER HB3 1 25 LYS H    . . 4.510 3.087 2.028 4.151     .  0 0 "[    .    1    .    2]" 2 
         5 1 25 LYS H   1 25 LYS HB2  . . 3.720 2.626 2.174 3.591     .  0 0 "[    .    1    .    2]" 2 
         6 1 25 LYS H   1 25 LYS HB3  . . 3.720 2.608 2.314 3.488     .  0 0 "[    .    1    .    2]" 2 
         7 1 15 CYS H   1 22 PHE QD   . . 4.760 3.693 3.261 4.433     .  0 0 "[    .    1    .    2]" 2 
         8 1 35 HIS H   1 36 SER H    . . 4.170 3.156 1.982 4.149     .  0 0 "[    .    1    .    2]" 2 
         9 1 15 CYS H   1 31 HIS HD2  . . 5.250 5.055 4.700 5.248     .  0 0 "[    .    1    .    2]" 2 
        10 1 15 CYS H   1 22 PHE QE   . . 4.490 3.464 2.673 4.406     .  0 0 "[    .    1    .    2]" 2 
        11 1 15 CYS H   1 15 CYS HB3  . . 3.180 2.439 2.259 2.590     .  0 0 "[    .    1    .    2]" 2 
        12 1 14 GLY H   1 15 CYS H    . . 4.490 3.890 3.234 4.255     .  0 0 "[    .    1    .    2]" 2 
        13 1 15 CYS H   1 20 LYS H    . . 4.480 3.576 2.908 4.330     .  0 0 "[    .    1    .    2]" 2 
        14 1 15 CYS H   1 21 ALA HA   . . 3.810 2.983 2.645 3.185     .  0 0 "[    .    1    .    2]" 2 
        15 1 15 CYS H   1 15 CYS HB2  . . 3.310 2.677 2.491 3.064     .  0 0 "[    .    1    .    2]" 2 
        16 1 15 CYS H   1 21 ALA MB   . . 4.400 4.186 3.901 4.382     .  0 0 "[    .    1    .    2]" 2 
        17 1 15 CYS H   1 28 LEU MD1  . . 4.070 2.480 1.925 3.490     .  0 0 "[    .    1    .    2]" 2 
        18 1 38 GLU HA  1 39 LYS H    . . 3.320 2.388 2.137 3.320     .  1 0 "[    .    1    .    2]" 2 
        19 1 39 LYS H   1 39 LYS QG   . . 4.670 3.286 1.902 4.259     .  0 0 "[    .    1    .    2]" 2 
        20 1 15 CYS HB3 1 17 GLU H    . . 5.210 4.216 3.571 5.033     .  0 0 "[    .    1    .    2]" 2 
        21 1 17 GLU H   1 17 GLU HB2  . . 3.700 2.606 2.249 3.159     .  0 0 "[    .    1    .    2]" 2 
        22 1 15 CYS HB2 1 17 GLU H    . . 5.240 4.642 4.372 5.058     .  0 0 "[    .    1    .    2]" 2 
        23 1 17 GLU H   1 17 GLU HB3  . . 3.700 3.305 2.567 3.677     .  0 0 "[    .    1    .    2]" 2 
        24 1 15 CYS HB3 1 20 LYS H    . . 3.620 2.044 1.907 2.367     .  0 0 "[    .    1    .    2]" 2 
        25 1 15 CYS HB2 1 20 LYS H    . . 4.100 3.752 3.478 4.080     .  0 0 "[    .    1    .    2]" 2 
        26 1 20 LYS H   1 20 LYS HG2  . . 5.190 4.492 2.884 4.816     .  0 0 "[    .    1    .    2]" 2 
        27 1 20 LYS H   1 20 LYS QD   . . 5.490 4.572 3.920 4.999     .  0 0 "[    .    1    .    2]" 2 
        28 1 20 LYS H   1 20 LYS HB2  . . 3.780 2.675 2.416 2.942     .  0 0 "[    .    1    .    2]" 2 
        29 1 20 LYS H   1 20 LYS HB3  . . 3.780 3.201 2.715 3.738     .  0 0 "[    .    1    .    2]" 2 
        30 1 23 SER H   1 24 SER H    . . 4.920 2.545 2.102 3.181     .  0 0 "[    .    1    .    2]" 2 
        31 1 21 ALA H   1 22 PHE H    . . 4.960 4.502 4.396 4.580     .  0 0 "[    .    1    .    2]" 2 
        32 1 22 PHE HB3 1 24 SER H    . . 3.540 3.121 2.932 3.518     .  0 0 "[    .    1    .    2]" 2 
        33 1 24 SER H   1 27 TYR HB2  . . 4.320 3.091 2.457 4.284     .  0 0 "[    .    1    .    2]" 2 
        34 1 24 SER H   1 27 TYR HB3  . . 4.320 3.987 2.753 4.318     .  0 0 "[    .    1    .    2]" 2 
        35 1 22 PHE HB2 1 24 SER H    . . 3.780 3.590 2.889 3.779     .  0 0 "[    .    1    .    2]" 2 
        36 1 24 SER H   1 25 LYS H    . . 4.820 4.398 3.810 4.532     .  0 0 "[    .    1    .    2]" 2 
        37 1 20 LYS H   1 21 ALA H    . . 4.800 4.336 4.049 4.518     .  0 0 "[    .    1    .    2]" 2 
        38 1 20 LYS HA  1 21 ALA H    . . 2.840 2.257 2.140 2.610     .  0 0 "[    .    1    .    2]" 2 
        39 1 20 LYS HG2 1 21 ALA H    . . 5.120 3.566 1.909 4.901     .  0 0 "[    .    1    .    2]" 2 
        40 1 20 LYS QD  1 21 ALA H    . . 5.500 4.569 3.350 5.454     .  0 0 "[    .    1    .    2]" 2 
        41 1 21 ALA H   1 21 ALA MB   . . 3.140 2.390 2.221 2.678     .  0 0 "[    .    1    .    2]" 2 
        42 1 17 GLU H   1 19 GLY H    . . 4.180 3.538 3.121 4.172     .  0 0 "[    .    1    .    2]" 2 
        43 1 15 CYS HB3 1 19 GLY H    . . 3.650 3.233 2.688 3.519     .  0 0 "[    .    1    .    2]" 2 
        44 1 26 SER QB  1 28 LEU H    . . 4.850 4.722 4.409 4.850     .  0 0 "[    .    1    .    2]" 2 
        45 1 25 LYS HA  1 28 LEU H    . . 4.030 3.496 3.129 3.789     .  0 0 "[    .    1    .    2]" 2 
        46 1 28 LEU H   1 28 LEU HB3  . . 3.260 2.359 2.151 2.553     .  0 0 "[    .    1    .    2]" 2 
        47 1 28 LEU H   1 28 LEU HB2  . . 3.450 2.688 2.491 3.025     .  0 0 "[    .    1    .    2]" 2 
        48 1 28 LEU H   1 28 LEU MD1  . . 4.540 4.170 4.033 4.316     .  0 0 "[    .    1    .    2]" 2 
        49 1 28 LEU H   1 28 LEU MD2  . . 4.840 4.179 4.003 4.228     .  0 0 "[    .    1    .    2]" 2 
        50 1 28 LEU H   1 29 ILE HB   . . 5.250 4.905 4.671 5.189     .  0 0 "[    .    1    .    2]" 2 
        51 1 13 TYR HA  1 14 GLY H    . . 2.800 2.307 2.145 2.534     .  0 0 "[    .    1    .    2]" 2 
        52 1 13 TYR HB3 1 14 GLY H    . . 4.280 3.220 2.342 4.226     .  0 0 "[    .    1    .    2]" 2 
        53 1 14 GLY H   1 28 LEU MD2  . . 4.210 2.461 1.858 3.955     .  0 0 "[    .    1    .    2]" 2 
        54 1 11 LYS H   1 12 PRO HD2  . . 5.500 4.632 2.483 4.839     .  0 0 "[    .    1    .    2]" 2 
        55 1 11 LYS H   1 12 PRO HD3  . . 5.500 4.673 2.381 5.034     .  0 0 "[    .    1    .    2]" 2 
        56 1 37 GLY H   1 38 GLU H    . . 5.030 3.182 2.011 4.438     .  0 0 "[    .    1    .    2]" 2 
        57 1 38 GLU H   1 39 LYS H    . . 5.370 3.885 1.873 4.636     .  0 0 "[    .    1    .    2]" 2 
        58 1 38 GLU H   1 38 GLU HG2  . . 5.420 3.671 1.902 4.790     .  0 0 "[    .    1    .    2]" 2 
        59 1 38 GLU H   1 38 GLU HG3  . . 5.420 3.645 2.359 4.771     .  0 0 "[    .    1    .    2]" 2 
        60 1 28 LEU H   1 29 ILE H    . . 3.330 2.716 2.463 3.008     .  0 0 "[    .    1    .    2]" 2 
        61 1 29 ILE H   1 30 ILE H    . . 3.630 2.870 2.704 3.021     .  0 0 "[    .    1    .    2]" 2 
        62 1 26 SER HA  1 29 ILE H    . . 4.200 3.461 3.241 3.770     .  0 0 "[    .    1    .    2]" 2 
        63 1 25 LYS HA  1 29 ILE H    . . 4.580 4.368 3.988 4.580 0.000  3 0 "[    .    1    .    2]" 2 
        64 1 10 GLU H   1 10 GLU HG2  . . 5.390 3.515 2.204 4.991     .  0 0 "[    .    1    .    2]" 2 
        65 1 10 GLU H   1 10 GLU HG3  . . 5.390 3.458 2.116 4.600     .  0 0 "[    .    1    .    2]" 2 
        66 1 28 LEU HB3 1 29 ILE H    . . 3.550 2.577 2.393 2.814     .  0 0 "[    .    1    .    2]" 2 
        67 1 29 ILE H   1 29 ILE HB   . . 3.120 2.569 2.489 2.638     .  0 0 "[    .    1    .    2]" 2 
        68 1 28 LEU HG  1 29 ILE H    . . 3.980 3.404 2.917 3.693     .  0 0 "[    .    1    .    2]" 2 
        69 1 28 LEU HB2 1 29 ILE H    . . 4.180 3.931 3.800 4.068     .  0 0 "[    .    1    .    2]" 2 
        70 1 29 ILE H   1 29 ILE HG12 . . 3.700 3.197 2.009 3.710 0.010 18 0 "[    .    1    .    2]" 2 
        71 1 28 LEU MD1 1 29 ILE H    . . 4.600 4.348 4.138 4.563     .  0 0 "[    .    1    .    2]" 2 
        72 1 28 LEU MD2 1 29 ILE H    . . 4.830 4.039 3.781 4.345     .  0 0 "[    .    1    .    2]" 2 
        73 1 29 ILE H   1 29 ILE MG   . . 3.950 3.764 3.756 3.769     .  0 0 "[    .    1    .    2]" 2 
        74 1 31 HIS H   1 32 MET HB2  . . 4.940 4.506 4.277 4.709     .  0 0 "[    .    1    .    2]" 2 
        75 1 31 HIS H   1 32 MET H    . . 3.560 2.511 2.162 2.662     .  0 0 "[    .    1    .    2]" 2 
        76 1 30 ILE H   1 31 HIS H    . . 3.390 2.787 2.630 2.884     .  0 0 "[    .    1    .    2]" 2 
        77 1 31 HIS H   1 31 HIS HD2  . . 4.980 4.838 4.711 4.973     .  0 0 "[    .    1    .    2]" 2 
        78 1 31 HIS H   1 31 HIS HB3  . . 3.120 2.351 2.286 2.438     .  0 0 "[    .    1    .    2]" 2 
        79 1 31 HIS H   1 31 HIS HB2  . . 3.290 2.808 2.723 2.959     .  0 0 "[    .    1    .    2]" 2 
        80 1 30 ILE HB  1 31 HIS H    . . 3.410 2.821 2.647 3.195     .  0 0 "[    .    1    .    2]" 2 
        81 1 28 LEU MD1 1 31 HIS H    . . 4.890 4.495 4.213 4.761     .  0 0 "[    .    1    .    2]" 2 
        82 1 30 ILE MG  1 31 HIS H    . . 3.960 3.631 3.489 3.867     .  0 0 "[    .    1    .    2]" 2 
        83 1 32 MET H   1 34 THR H    . . 5.000 4.489 4.200 4.665     .  0 0 "[    .    1    .    2]" 2 
        84 1 34 THR H   1 34 THR HB   . . 3.730 3.199 2.338 3.684     .  0 0 "[    .    1    .    2]" 2 
        85 1 34 THR H   1 35 HIS HB2  . . 4.820 4.531 4.059 4.818     .  0 0 "[    .    1    .    2]" 2 
        86 1 34 THR H   1 34 THR MG   . . 3.300 2.231 1.896 2.622     .  0 0 "[    .    1    .    2]" 2 
        87 1 32 MET HB3 1 34 THR H    . . 5.300 5.259 5.182 5.301 0.001 14 0 "[    .    1    .    2]" 2 
        88 1 30 ILE H   1 32 MET H    . . 4.980 4.352 3.974 4.545     .  0 0 "[    .    1    .    2]" 2 
        89 1 32 MET H   1 33 ARG H    . . 3.470 2.689 2.388 2.813     .  0 0 "[    .    1    .    2]" 2 
        90 1 27 TYR HA  1 30 ILE H    . . 3.980 3.763 3.557 3.968     .  0 0 "[    .    1    .    2]" 2 
        91 1 26 SER HA  1 30 ILE H    . . 4.850 4.210 3.622 4.572     .  0 0 "[    .    1    .    2]" 2 
        92 1 29 ILE HA  1 32 MET H    . . 4.050 3.277 3.036 3.396     .  0 0 "[    .    1    .    2]" 2 
        93 1 31 HIS HB3 1 32 MET H    . . 3.380 2.634 2.479 3.038     .  0 0 "[    .    1    .    2]" 2 
        94 1 32 MET H   1 32 MET HG2  . . 4.070 2.577 2.189 2.901     .  0 0 "[    .    1    .    2]" 2 
        95 1 30 ILE H   1 31 HIS HB3  . . 5.020 4.899 4.763 5.010     .  0 0 "[    .    1    .    2]" 2 
        96 1 32 MET H   1 32 MET HB2  . . 3.200 2.380 2.225 2.536     .  0 0 "[    .    1    .    2]" 2 
        97 1 29 ILE HB  1 32 MET H    . . 5.500 5.430 5.221 5.500 0.000  4 0 "[    .    1    .    2]" 2 
        98 1 30 ILE H   1 30 ILE HG13 . . 2.960 1.931 1.900 1.997     .  0 0 "[    .    1    .    2]" 2 
        99 1 30 ILE H   1 30 ILE HG12 . . 3.700 3.391 3.269 3.486     .  0 0 "[    .    1    .    2]" 2 
       100 1 28 LEU MD1 1 32 MET H    . . 4.380 3.918 3.676 4.355     .  0 0 "[    .    1    .    2]" 2 
       101 1 29 ILE MG  1 32 MET H    . . 5.140 4.417 4.166 4.559     .  0 0 "[    .    1    .    2]" 2 
       102 1 30 ILE MG  1 32 MET H    . . 5.500 5.206 5.058 5.446     .  0 0 "[    .    1    .    2]" 2 
       103 1 29 ILE MG  1 30 ILE H    . . 3.530 3.217 2.992 3.467     .  0 0 "[    .    1    .    2]" 2 
       104 1 31 HIS HD2 1 32 MET H    . . 4.410 3.585 3.337 4.278     .  0 0 "[    .    1    .    2]" 2 
       105 1 29 ILE HB  1 30 ILE H    . . 3.540 2.352 2.125 2.588     .  0 0 "[    .    1    .    2]" 2 
       106 1 22 PHE HB3 1 27 TYR H    . . 5.040 4.716 4.411 5.021     .  0 0 "[    .    1    .    2]" 2 
       107 1 27 TYR H   1 30 ILE HG13 . . 5.410 5.113 4.638 5.366     .  0 0 "[    .    1    .    2]" 2 
       108 1 27 TYR H   1 29 ILE H    . . 4.800 4.334 4.110 4.460     .  0 0 "[    .    1    .    2]" 2 
       109 1 24 SER HB2 1 27 TYR H    . . 4.680 3.506 2.536 4.630     .  0 0 "[    .    1    .    2]" 2 
       110 1 26 SER QB  1 27 TYR H    . . 3.670 2.560 2.178 3.282     .  0 0 "[    .    1    .    2]" 2 
       111 1 27 TYR H   1 27 TYR HB2  . . 3.770 2.269 2.175 2.496     .  0 0 "[    .    1    .    2]" 2 
       112 1 27 TYR H   1 27 TYR HB3  . . 3.770 3.376 2.562 3.587     .  0 0 "[    .    1    .    2]" 2 
       113 1 33 ARG H   1 33 ARG HG3  . . 3.880 2.821 2.054 3.740     .  0 0 "[    .    1    .    2]" 2 
       114 1 33 ARG H   1 34 THR H    . . 3.430 2.754 2.413 2.935     .  0 0 "[    .    1    .    2]" 2 
       115 1 34 THR H   1 35 HIS H    . . 3.230 2.550 2.232 2.808     .  0 0 "[    .    1    .    2]" 2 
       116 1 32 MET HA  1 35 HIS H    . . 3.910 3.171 2.786 3.818     .  0 0 "[    .    1    .    2]" 2 
       117 1 35 HIS H   1 35 HIS HB3  . . 3.760 3.582 3.508 3.640     .  0 0 "[    .    1    .    2]" 2 
       118 1 33 ARG H   1 33 ARG QD   . . 4.330 3.760 3.340 4.330     .  0 0 "[    .    1    .    2]" 2 
       119 1 35 HIS H   1 35 HIS HB2  . . 3.330 2.369 2.204 2.525     .  0 0 "[    .    1    .    2]" 2 
       120 1 32 MET HB3 1 35 HIS H    . . 5.320 4.716 4.290 5.130     .  0 0 "[    .    1    .    2]" 2 
       121 1 32 MET ME  1 35 HIS H    . . 5.500 4.897 3.754 5.500     . 18 0 "[    .    1    .    2]" 2 
       122 1 32 MET HB2 1 33 ARG H    . . 3.910 3.120 2.924 3.396     .  0 0 "[    .    1    .    2]" 2 
       123 1 33 ARG H   1 33 ARG HB2  . . 3.720 2.709 2.355 3.617     .  0 0 "[    .    1    .    2]" 2 
       124 1 34 THR MG  1 35 HIS H    . . 4.340 3.158 1.844 4.324     .  0 0 "[    .    1    .    2]" 2 
       125 1 35 HIS H   1 35 HIS HD2  . . 4.250 3.719 3.069 4.234     .  0 0 "[    .    1    .    2]" 2 
       126 1 30 ILE HA  1 33 ARG H    . . 4.400 3.794 3.624 4.000     .  0 0 "[    .    1    .    2]" 2 
       127 1 13 TYR H   1 13 TYR QD   . . 3.570 2.668 2.335 3.169     .  0 0 "[    .    1    .    2]" 2 
       128 1 13 TYR H   1 13 TYR QE   . . 4.750 4.149 3.747 4.459     .  0 0 "[    .    1    .    2]" 2 
       129 1 11 LYS HA  1 13 TYR H    . . 4.620 3.924 2.967 4.322     .  0 0 "[    .    1    .    2]" 2 
       130 1 13 TYR H   1 13 TYR HB3  . . 3.750 3.649 3.517 3.740     .  0 0 "[    .    1    .    2]" 2 
       131 1 12 PRO HB2 1 13 TYR H    . . 4.540 3.458 3.005 3.975     .  0 0 "[    .    1    .    2]" 2 
       132 1 12 PRO HB3 1 13 TYR H    . . 4.540 4.213 3.950 4.510     .  0 0 "[    .    1    .    2]" 2 
       133 1 22 PHE H   1 22 PHE QD   . . 3.350 2.832 2.507 3.339     .  0 0 "[    .    1    .    2]" 2 
       134 1 22 PHE H   1 22 PHE QE   . . 5.220 4.836 4.602 5.065     .  0 0 "[    .    1    .    2]" 2 
       135 1 21 ALA HA  1 22 PHE H    . . 3.030 2.381 2.219 2.548     .  0 0 "[    .    1    .    2]" 2 
       136 1 22 PHE H   1 22 PHE HB3  . . 4.000 3.908 3.766 4.000     .  0 0 "[    .    1    .    2]" 2 
       137 1 22 PHE H   1 22 PHE HB2  . . 3.420 2.886 2.629 3.069     .  0 0 "[    .    1    .    2]" 2 
       138 1 21 ALA MB  1 22 PHE H    . . 3.500 2.455 2.227 2.828     .  0 0 "[    .    1    .    2]" 2 
       139 1 17 GLU HG2 1 18 CYS H    . . 5.500 4.559 3.900 5.058     .  0 0 "[    .    1    .    2]" 2 
       140 1 17 GLU HG3 1 18 CYS H    . . 5.500 4.581 3.160 5.199     .  0 0 "[    .    1    .    2]" 2 
       141 1 17 GLU H   1 18 CYS H    . . 3.200 2.417 1.852 3.022     .  0 0 "[    .    1    .    2]" 2 
       142 1 18 CYS H   1 19 GLY H    . . 2.980 2.058 1.882 2.212     .  0 0 "[    .    1    .    2]" 2 
       143 1 18 CYS H   1 19 GLY HA2  . . 5.030 4.233 4.036 4.441     .  0 0 "[    .    1    .    2]" 2 
       144 1 18 CYS H   1 18 CYS HB3  . . 3.850 2.932 2.753 3.144     .  0 0 "[    .    1    .    2]" 2 
       145 1 18 CYS H   1 18 CYS HB2  . . 3.850 3.762 3.695 3.856 0.006 12 0 "[    .    1    .    2]" 2 
       146 1 17 GLU HB2 1 18 CYS H    . . 3.720 2.972 2.414 3.720     .  0 0 "[    .    1    .    2]" 2 
       147 1 17 GLU HB3 1 18 CYS H    . . 3.720 2.911 2.243 3.517     .  0 0 "[    .    1    .    2]" 2 
       148 1 27 TYR H   1 30 ILE MD   . . 4.760 4.007 3.591 4.652     .  0 0 "[    .    1    .    2]" 2 
       149 1 33 ARG H   1 34 THR MG   . . 4.570 4.168 3.440 4.496     .  0 0 "[    .    1    .    2]" 2 
       150 1 29 ILE MG  1 33 ARG H    . . 5.080 4.290 3.821 4.802     .  0 0 "[    .    1    .    2]" 2 
       151 1 30 ILE MG  1 33 ARG H    . . 5.500 4.604 4.394 5.016     .  0 0 "[    .    1    .    2]" 2 
       152 1 33 ARG H   1 33 ARG HB3  . . 3.720 3.367 2.276 3.606     .  0 0 "[    .    1    .    2]" 2 
       153 1 13 TYR H   1 13 TYR HB2  . . 3.330 2.747 2.638 3.001     .  0 0 "[    .    1    .    2]" 2 
       154 1 13 TYR HB2 1 14 GLY H    . . 4.530 3.829 3.060 4.391     .  0 0 "[    .    1    .    2]" 2 
       155 1 25 LYS HG2 1 29 ILE MD   . . 4.370 3.180 2.006 4.390 0.020 18 0 "[    .    1    .    2]" 2 
       156 1 15 CYS HB3 1 22 PHE QE   . . 4.180 3.465 2.978 4.089     .  0 0 "[    .    1    .    2]" 2 
       157 1 22 PHE QE  1 31 HIS HB3  . . 4.490 3.104 2.758 3.430     .  0 0 "[    .    1    .    2]" 2 
       158 1 20 LYS QD  1 22 PHE QE   . . 5.250 3.615 2.309 4.545     .  0 0 "[    .    1    .    2]" 2 
       159 1 20 LYS HB2 1 22 PHE QE   . . 4.340 3.904 2.703 4.329     .  0 0 "[    .    1    .    2]" 2 
       160 1 20 LYS HB3 1 22 PHE QE   . . 4.340 2.851 2.057 3.536     .  0 0 "[    .    1    .    2]" 2 
       161 1 25 LYS HG3 1 29 ILE MD   . . 4.370 3.597 2.092 4.354     .  0 0 "[    .    1    .    2]" 2 
       162 1 39 LYS HA  1 40 PRO HD2  . . 3.770 2.242 2.000 2.457     .  0 0 "[    .    1    .    2]" 2 
       163 1 39 LYS HA  1 40 PRO HD3  . . 3.770 2.415 2.254 3.224     .  0 0 "[    .    1    .    2]" 2 
       164 1 11 LYS HA  1 12 PRO HD2  . . 3.990 2.278 2.004 2.465     .  0 0 "[    .    1    .    2]" 2 
       165 1 11 LYS HA  1 12 PRO HD3  . . 3.990 2.379 2.254 3.355     .  0 0 "[    .    1    .    2]" 2 
       166 1 42 GLY HA2 1 43 PRO QD   . . 3.870 2.342 1.957 3.420     .  0 0 "[    .    1    .    2]" 2 
       167 1 22 PHE HZ  1 31 HIS HE1  . . 4.940 4.324 3.607 4.795     .  0 0 "[    .    1    .    2]" 2 
       168 1 28 LEU MD1 1 31 HIS HD2  . . 3.700 3.116 2.836 3.491     .  0 0 "[    .    1    .    2]" 2 
       169 1 22 PHE QE  1 28 LEU MD1  . . 3.900 2.237 1.882 2.645     .  0 0 "[    .    1    .    2]" 2 
       170 1 15 CYS HA  1 28 LEU MD1  . . 4.120 2.506 1.969 3.056     .  0 0 "[    .    1    .    2]" 2 
       171 1 28 LEU HA  1 28 LEU MD1  . . 3.270 2.183 1.979 2.395     .  0 0 "[    .    1    .    2]" 2 
       172 1 22 PHE HZ  1 31 HIS HB3  . . 4.620 2.882 2.402 3.448     .  0 0 "[    .    1    .    2]" 2 
       173 1 28 LEU MD1 1 31 HIS HB3  . . 3.940 3.127 2.835 3.348     .  0 0 "[    .    1    .    2]" 2 
       174 1 15 CYS HB2 1 28 LEU MD1  . . 3.470 2.277 1.862 2.632     .  0 0 "[    .    1    .    2]" 2 
       175 1 22 PHE HZ  1 31 HIS HB2  . . 4.350 2.267 2.032 3.063     .  0 0 "[    .    1    .    2]" 2 
       176 1 20 LYS QD  1 22 PHE HZ   . . 4.100 2.975 1.987 4.099     .  0 0 "[    .    1    .    2]" 2 
       177 1 20 LYS HB3 1 22 PHE HZ   . . 4.850 3.168 2.171 3.714     .  0 0 "[    .    1    .    2]" 2 
       178 1 21 ALA MB  1 22 PHE HB2  . . 5.090 4.906 4.717 5.076     .  0 0 "[    .    1    .    2]" 2 
       179 1 20 LYS HA  1 21 ALA MB   . . 4.230 3.928 3.720 4.042     .  0 0 "[    .    1    .    2]" 2 
       180 1 31 HIS HB3 1 31 HIS HD2  . . 3.950 2.762 2.691 2.843     .  0 0 "[    .    1    .    2]" 2 
       181 1 31 HIS HD2 1 32 MET ME   . . 4.920 3.884 2.437 4.664     .  0 0 "[    .    1    .    2]" 2 
       182 1 35 HIS HB2 1 35 HIS HD2  . . 3.650 2.704 2.690 2.742     .  0 0 "[    .    1    .    2]" 2 
       183 1 17 GLU HG2 1 35 HIS HD2  . . 5.500 4.608 3.492 5.498     .  0 0 "[    .    1    .    2]" 2 
       184 1 17 GLU HG3 1 35 HIS HD2  . . 5.500 4.485 3.441 5.386     .  0 0 "[    .    1    .    2]" 2 
       185 1 17 GLU HB2 1 35 HIS HD2  . . 5.040 3.523 2.672 4.421     .  0 0 "[    .    1    .    2]" 2 
       186 1 17 GLU HB3 1 35 HIS HD2  . . 5.040 3.835 2.926 4.966     .  0 0 "[    .    1    .    2]" 2 
       187 1 34 THR HA  1 34 THR MG   . . 3.210 2.737 2.265 3.203     .  0 0 "[    .    1    .    2]" 2 
       188 1 18 CYS H   1 19 GLY HA3  . . 5.030 4.703 4.550 4.876     .  0 0 "[    .    1    .    2]" 2 
       189 1 42 GLY HA3 1 43 PRO QD   . . 3.870 2.630 1.980 3.419     .  0 0 "[    .    1    .    2]" 2 
       190 1 22 PHE HB3 1 28 LEU HB2  . . 4.630 4.295 3.571 4.614     .  0 0 "[    .    1    .    2]" 2 
       191 1 22 PHE HB3 1 28 LEU MD1  . . 5.370 5.176 4.767 5.361     .  0 0 "[    .    1    .    2]" 2 
       192 1 22 PHE HB2 1 28 LEU MD1  . . 4.700 4.039 3.732 4.254     .  0 0 "[    .    1    .    2]" 2 
       193 1 22 PHE HB2 1 28 LEU MD2  . . 5.200 4.532 3.883 4.828     .  0 0 "[    .    1    .    2]" 2 
       194 1 22 PHE HB3 1 27 TYR HB2  . . 4.170 2.736 2.243 4.159     .  0 0 "[    .    1    .    2]" 2 
       195 1 27 TYR QD  1 30 ILE MG   . . 4.790 4.560 4.267 4.785     .  0 0 "[    .    1    .    2]" 2 
       196 1 33 ARG HA  1 33 ARG QD   . . 4.270 3.623 2.000 4.347 0.077 19 0 "[    .    1    .    2]" 2 
       197 1 29 ILE MG  1 33 ARG QD   . . 4.640 3.943 3.091 4.599     .  0 0 "[    .    1    .    2]" 2 
       198 1 30 ILE MG  1 33 ARG QD   . . 4.870 3.123 2.228 4.680     .  0 0 "[    .    1    .    2]" 2 
       199 1 27 TYR HA  1 30 ILE MG   . . 4.550 4.460 4.332 4.552 0.002 12 0 "[    .    1    .    2]" 2 
       200 1 26 SER HA  1 29 ILE MG   . . 4.340 4.183 3.844 4.334     .  0 0 "[    .    1    .    2]" 2 
       201 1 29 ILE MG  1 32 MET HB2  . . 4.800 3.530 3.188 3.928     .  0 0 "[    .    1    .    2]" 2 
       202 1 17 GLU H   1 32 MET ME   . . 4.550 3.766 3.213 4.549     .  0 0 "[    .    1    .    2]" 2 
       203 1 32 MET ME  1 35 HIS HD2  . . 3.830 3.088 1.870 3.830 0.000 19 0 "[    .    1    .    2]" 2 
       204 1 32 MET HA  1 32 MET ME   . . 3.770 3.070 2.026 3.632     .  0 0 "[    .    1    .    2]" 2 
       205 1 32 MET ME  1 35 HIS HB3  . . 4.760 3.617 2.903 4.762 0.002 19 0 "[    .    1    .    2]" 2 
       206 1 17 GLU HG2 1 32 MET ME   . . 5.370 3.290 2.094 4.987     .  0 0 "[    .    1    .    2]" 2 
       207 1 17 GLU HG3 1 32 MET ME   . . 5.370 3.519 2.154 4.808     .  0 0 "[    .    1    .    2]" 2 
       208 1 28 LEU HG  1 32 MET ME   . . 4.770 4.458 3.832 4.775 0.005 18 0 "[    .    1    .    2]" 2 
       209 1 17 GLU HB2 1 32 MET ME   . . 4.560 2.996 2.072 3.454     .  0 0 "[    .    1    .    2]" 2 
       210 1 17 GLU HB3 1 32 MET ME   . . 4.560 3.949 2.453 4.560     . 19 0 "[    .    1    .    2]" 2 
       211 1 28 LEU MD1 1 32 MET ME   . . 3.750 3.413 2.635 3.753 0.003 18 0 "[    .    1    .    2]" 2 
       212 1 13 TYR HB3 1 28 LEU HB3  . . 4.370 3.423 3.003 3.893     .  0 0 "[    .    1    .    2]" 2 
       213 1 22 PHE HB2 1 28 LEU HB3  . . 4.830 4.121 3.472 4.696     .  0 0 "[    .    1    .    2]" 2 
       214 1 22 PHE HB2 1 28 LEU HB2  . . 4.120 2.818 2.223 3.234     .  0 0 "[    .    1    .    2]" 2 
       215 1 28 LEU HB3 1 28 LEU MD2  . . 3.400 2.247 2.132 2.348     .  0 0 "[    .    1    .    2]" 2 
       216 1 28 LEU HB2 1 28 LEU MD1  . . 3.570 2.324 2.216 2.403     .  0 0 "[    .    1    .    2]" 2 
       217 1 24 SER HB3 1 27 TYR H    . . 4.680 3.840 2.461 4.640     .  0 0 "[    .    1    .    2]" 2 
       218 1 30 ILE MD  1 31 HIS H    . . 4.890 4.526 4.296 4.861     .  0 0 "[    .    1    .    2]" 2 
       219 1 30 ILE H   1 30 ILE MD   . . 3.810 3.281 3.043 3.462     .  0 0 "[    .    1    .    2]" 2 
       220 1 27 TYR HA  1 30 ILE MD   . . 3.700 2.337 2.059 2.643     .  0 0 "[    .    1    .    2]" 2 
       221 1 29 ILE H   1 29 ILE MD   . . 4.120 3.253 2.794 3.459     .  0 0 "[    .    1    .    2]" 2 
       222 1 26 SER HA  1 29 ILE MD   . . 4.520 2.510 1.947 4.440     .  0 0 "[    .    1    .    2]" 2 
       223 1 29 ILE HA  1 29 ILE MD   . . 4.220 3.502 1.941 3.898     .  0 0 "[    .    1    .    2]" 2 
       224 1 30 ILE HA  1 30 ILE MD   . . 4.740 3.885 3.845 3.921     .  0 0 "[    .    1    .    2]" 2 
       225 1 25 LYS QE  1 29 ILE MD   . . 4.070 2.938 1.927 4.060     .  0 0 "[    .    1    .    2]" 2 
       226 1 29 ILE HB  1 29 ILE MD   . . 3.500 2.447 2.104 3.230     .  0 0 "[    .    1    .    2]" 2 
       227 1 25 LYS QD  1 29 ILE MD   . . 3.230 2.588 1.803 3.217     .  0 0 "[    .    1    .    2]" 2 
       228 1 27 TYR HA  1 27 TYR QE   . . 4.660 4.277 4.172 4.459     .  0 0 "[    .    1    .    2]" 2 
       229 1 13 TYR QE  1 25 LYS QE   . . 5.310 3.930 2.188 5.282     .  0 0 "[    .    1    .    2]" 2 
       230 1 27 TYR QE  1 30 ILE MD   . . 4.450 4.014 3.704 4.434     .  0 0 "[    .    1    .    2]" 2 
       231 1 13 TYR QE  1 24 SER HA   . . 4.180 3.213 2.108 4.069     .  0 0 "[    .    1    .    2]" 2 
       232 1 13 TYR QE  1 25 LYS HA   . . 4.900 3.787 3.011 4.364     .  0 0 "[    .    1    .    2]" 2 
       233 1 29 ILE HA  1 32 MET HG2  . . 4.340 3.634 2.636 4.332     .  0 0 "[    .    1    .    2]" 2 
       234 1 29 ILE HA  1 32 MET HG3  . . 4.340 3.348 2.453 4.325     .  0 0 "[    .    1    .    2]" 2 
       235 1 29 ILE HA  1 32 MET HB2  . . 3.640 2.634 2.314 2.930     .  0 0 "[    .    1    .    2]" 2 
       236 1 28 LEU HG  1 29 ILE HA   . . 3.780 3.375 2.979 3.591     .  0 0 "[    .    1    .    2]" 2 
       237 1 13 TYR QE  1 25 LYS QD   . . 4.790 3.879 2.306 4.786     .  0 0 "[    .    1    .    2]" 2 
       238 1 29 ILE HA  1 29 ILE HG12 . . 3.870 2.771 2.593 3.184     .  0 0 "[    .    1    .    2]" 2 
       239 1 29 ILE HA  1 29 ILE MG   . . 3.290 2.398 2.299 2.464     .  0 0 "[    .    1    .    2]" 2 
       240 1 30 ILE HA  1 33 ARG QD   . . 4.010 2.691 1.867 3.843     .  0 0 "[    .    1    .    2]" 2 
       241 1 30 ILE HA  1 30 ILE HG12 . . 3.550 2.711 2.573 2.836     .  0 0 "[    .    1    .    2]" 2 
       242 1 30 ILE HA  1 30 ILE MG   . . 3.360 2.411 2.350 2.452     .  0 0 "[    .    1    .    2]" 2 
       243 1 30 ILE H   1 30 ILE HB   . . 3.460 2.628 2.577 2.655     .  0 0 "[    .    1    .    2]" 2 
       244 1 13 TYR HB2 1 22 PHE H    . . 4.780 3.483 2.318 4.034     .  0 0 "[    .    1    .    2]" 2 
       245 1 13 TYR HB2 1 28 LEU HB3  . . 4.860 4.644 4.336 4.858     .  0 0 "[    .    1    .    2]" 2 
       246 1 13 TYR HB3 1 28 LEU HG   . . 4.790 4.692 4.114 4.799 0.009 18 0 "[    .    1    .    2]" 2 
       247 1 13 TYR HB3 1 28 LEU HB2  . . 4.290 2.972 2.515 3.949     .  0 0 "[    .    1    .    2]" 2 
       248 1 13 TYR HB2 1 28 LEU HB2  . . 4.430 3.762 3.200 4.173     .  0 0 "[    .    1    .    2]" 2 
       249 1 13 TYR HB2 1 28 LEU MD2  . . 3.800 3.465 2.990 3.789     .  0 0 "[    .    1    .    2]" 2 
       250 1 22 PHE HB3 1 27 TYR HB3  . . 4.170 2.301 2.006 2.683     .  0 0 "[    .    1    .    2]" 2 
       251 1 17 GLU H   1 17 GLU HG2  . . 4.770 3.830 2.110 4.770 0.000 16 0 "[    .    1    .    2]" 2 
       252 1 17 GLU H   1 17 GLU HG3  . . 4.770 4.192 2.723 4.767     .  0 0 "[    .    1    .    2]" 2 
       253 1 26 SER QB  1 30 ILE MD   . . 4.410 3.110 2.552 4.107     .  0 0 "[    .    1    .    2]" 2 
       254 1 26 SER QB  1 29 ILE HB   . . 4.740 4.345 4.009 4.614     .  0 0 "[    .    1    .    2]" 2 
       255 1 26 SER HA  1 29 ILE HB   . . 3.720 2.919 2.428 3.172     .  0 0 "[    .    1    .    2]" 2 
       256 1 26 SER HA  1 29 ILE HG13 . . 4.550 3.331 2.975 3.720     .  0 0 "[    .    1    .    2]" 2 
       257 1 26 SER HA  1 29 ILE HG12 . . 4.550 4.194 2.687 4.550     .  0 0 "[    .    1    .    2]" 2 
       258 1 18 CYS HA  1 35 HIS HE1  . . 4.810 4.239 3.792 4.763     .  0 0 "[    .    1    .    2]" 2 
       259 1 20 LYS HB2 1 21 ALA H    . . 4.640 4.199 3.344 4.544     .  0 0 "[    .    1    .    2]" 2 
       260 1 20 LYS HB3 1 21 ALA H    . . 4.640 3.460 2.027 4.221     .  0 0 "[    .    1    .    2]" 2 
       261 1 20 LYS HB2 1 22 PHE HZ   . . 4.850 4.097 3.316 4.838     .  0 0 "[    .    1    .    2]" 2 
       262 1 18 CYS HB3 1 35 HIS HE1  . . 3.820 2.126 2.000 2.419     .  0 0 "[    .    1    .    2]" 2 
       263 1 20 LYS QD  1 31 HIS HE1  . . 3.720 2.506 2.035 3.700     .  0 0 "[    .    1    .    2]" 2 
       264 1 27 TYR HA  1 30 ILE HB   . . 3.690 3.241 3.099 3.378     .  0 0 "[    .    1    .    2]" 2 
       265 1 27 TYR HA  1 30 ILE HG13 . . 4.110 3.677 3.294 4.006     .  0 0 "[    .    1    .    2]" 2 
       266 1 27 TYR HA  1 30 ILE HG12 . . 5.020 4.847 4.549 5.015     .  0 0 "[    .    1    .    2]" 2 
       267 1 30 ILE MG  1 31 HIS HA   . . 4.340 3.574 3.456 3.755     .  0 0 "[    .    1    .    2]" 2 
       268 1 18 CYS HB2 1 35 HIS HE1  . . 3.820 3.658 3.403 3.820     .  0 0 "[    .    1    .    2]" 2 
       269 1 33 ARG HA  1 35 HIS H    . . 4.910 4.385 3.629 4.843     .  0 0 "[    .    1    .    2]" 2 
       270 1 13 TYR HB3 1 25 LYS HA   . . 4.370 3.281 2.705 4.041     .  0 0 "[    .    1    .    2]" 2 
       271 1 32 MET HB2 1 33 ARG HA   . . 5.130 4.494 4.297 4.728     .  0 0 "[    .    1    .    2]" 2 
       272 1 32 MET HB3 1 33 ARG HA   . . 5.420 4.443 4.189 4.611     .  0 0 "[    .    1    .    2]" 2 
       273 1 25 LYS HA  1 28 LEU HB3  . . 3.540 2.866 2.347 3.245     .  0 0 "[    .    1    .    2]" 2 
       274 1 33 ARG HA  1 33 ARG HG2  . . 3.830 2.828 2.293 3.832 0.002 12 0 "[    .    1    .    2]" 2 
       275 1 33 ARG HA  1 33 ARG HG3  . . 3.830 3.372 2.967 3.841 0.011 14 0 "[    .    1    .    2]" 2 
       276 1 25 LYS HA  1 28 LEU HB2  . . 4.090 3.743 3.279 4.068     .  0 0 "[    .    1    .    2]" 2 
       277 1 25 LYS HA  1 25 LYS HG2  . . 4.000 2.906 2.266 3.899     .  0 0 "[    .    1    .    2]" 2 
       278 1 25 LYS HA  1 25 LYS HG3  . . 4.000 3.138 2.599 3.641     .  0 0 "[    .    1    .    2]" 2 
       279 1 25 LYS HA  1 28 LEU MD2  . . 4.250 3.371 2.969 3.823     .  0 0 "[    .    1    .    2]" 2 
       280 1 32 MET H   1 32 MET HG3  . . 4.070 3.552 2.393 3.969     .  0 0 "[    .    1    .    2]" 2 
       281 1 31 HIS HD2 1 32 MET HA   . . 4.150 3.328 2.890 3.976     .  0 0 "[    .    1    .    2]" 2 
       282 1 31 HIS HD2 1 32 MET HG2  . . 5.000 3.330 2.886 3.723     .  0 0 "[    .    1    .    2]" 2 
       283 1 31 HIS HD2 1 32 MET HG3  . . 5.000 4.788 4.184 4.999     .  0 0 "[    .    1    .    2]" 2 
       284 1 32 MET HA  1 35 HIS HD2  . . 3.460 2.629 2.029 3.381     .  0 0 "[    .    1    .    2]" 2 
       285 1 32 MET HA  1 35 HIS HB2  . . 4.230 2.667 2.046 3.296     .  0 0 "[    .    1    .    2]" 2 
       286 1 28 LEU HG  1 32 MET HG2  . . 4.460 3.060 2.166 4.321     .  0 0 "[    .    1    .    2]" 2 
       287 1 28 LEU MD1 1 32 MET HG2  . . 4.060 2.773 2.096 3.355     .  0 0 "[    .    1    .    2]" 2 
       288 1 28 LEU MD1 1 32 MET HG3  . . 4.060 3.419 2.713 4.013     .  0 0 "[    .    1    .    2]" 2 
       289 1 28 LEU HA  1 32 MET H    . . 4.850 4.339 4.094 4.734     .  0 0 "[    .    1    .    2]" 2 
       290 1 28 LEU HA  1 31 HIS H    . . 4.280 3.575 3.418 3.738     .  0 0 "[    .    1    .    2]" 2 
       291 1 28 LEU HA  1 31 HIS HD2  . . 4.940 4.653 4.370 4.939     .  0 0 "[    .    1    .    2]" 2 
       292 1 22 PHE QE  1 28 LEU HA   . . 4.690 2.986 2.709 3.214     .  0 0 "[    .    1    .    2]" 2 
       293 1 28 LEU HA  1 31 HIS HB3  . . 3.500 2.845 2.646 3.294     .  0 0 "[    .    1    .    2]" 2 
       294 1 28 LEU HA  1 28 LEU HG   . . 4.050 3.246 3.114 3.387     .  0 0 "[    .    1    .    2]" 2 
       295 1 20 LYS HA  1 20 LYS HG2  . . 3.910 2.843 2.232 3.718     .  0 0 "[    .    1    .    2]" 2 
       296 1 20 LYS HA  1 20 LYS QD   . . 4.440 3.718 2.116 4.138     .  0 0 "[    .    1    .    2]" 2 
       297 1 20 LYS HA  1 20 LYS HG3  . . 3.910 2.626 2.184 3.795     .  0 0 "[    .    1    .    2]" 2 
       298 1 32 MET H   1 32 MET HB3  . . 3.990 3.568 3.518 3.599     .  0 0 "[    .    1    .    2]" 2 
       299 1 32 MET HB3 1 33 ARG H    . . 4.810 3.851 3.613 4.124     .  0 0 "[    .    1    .    2]" 2 
       300 1 29 ILE HA  1 32 MET HB3  . . 4.450 4.231 3.922 4.415     .  0 0 "[    .    1    .    2]" 2 
       301 1 15 CYS HB2 1 18 CYS H    . . 5.090 4.868 4.669 4.958     .  0 0 "[    .    1    .    2]" 2 
       302 1 15 CYS HB3 1 18 CYS H    . . 4.350 4.026 3.382 4.349     .  0 0 "[    .    1    .    2]" 2 
       303 1 15 CYS HB2 1 22 PHE QD   . . 4.920 4.491 4.130 4.860     .  0 0 "[    .    1    .    2]" 2 
       304 1 15 CYS HB3 1 31 HIS HD2  . . 4.170 3.695 3.191 3.995     .  0 0 "[    .    1    .    2]" 2 
       305 1 15 CYS HB2 1 31 HIS HD2  . . 3.600 2.538 2.126 2.795     .  0 0 "[    .    1    .    2]" 2 
       306 1 15 CYS HB2 1 22 PHE QE   . . 3.930 2.875 2.351 3.534     .  0 0 "[    .    1    .    2]" 2 
       307 1 15 CYS HB3 1 20 LYS HB2  . . 4.790 3.147 2.003 3.822     .  0 0 "[    .    1    .    2]" 2 
       308 1 15 CYS HB3 1 20 LYS HB3  . . 4.790 3.165 2.130 4.231     .  0 0 "[    .    1    .    2]" 2 
       309 1 15 CYS HB3 1 28 LEU MD1  . . 4.140 3.426 2.930 3.809     .  0 0 "[    .    1    .    2]" 2 
       310 1 29 ILE H   1 29 ILE HG13 . . 3.700 2.345 1.916 3.675     .  0 0 "[    .    1    .    2]" 2 
       311 1 29 ILE HA  1 29 ILE HG13 . . 3.870 2.991 2.631 3.780     .  0 0 "[    .    1    .    2]" 2 
       312 1 30 ILE HA  1 30 ILE HG13 . . 3.810 2.842 2.704 2.942     .  0 0 "[    .    1    .    2]" 2 
       313 1 17 GLU HG2 1 35 HIS HB3  . . 5.450 3.526 2.023 5.063     .  0 0 "[    .    1    .    2]" 2 
       314 1 17 GLU HG3 1 35 HIS HB3  . . 5.450 3.229 2.047 4.565     .  0 0 "[    .    1    .    2]" 2 
       315 1 17 GLU HG2 1 35 HIS HB2  . . 5.500 4.544 3.207 5.410     .  0 0 "[    .    1    .    2]" 2 
       316 1 17 GLU HG3 1 35 HIS HB2  . . 5.500 4.326 3.127 5.507 0.007 18 0 "[    .    1    .    2]" 2 
       317 1 32 MET HB3 1 35 HIS HB2  . . 4.920 3.826 3.214 4.491     .  0 0 "[    .    1    .    2]" 2 
       318 1 32 MET ME  1 35 HIS HB2  . . 5.230 3.189 2.021 3.965     .  0 0 "[    .    1    .    2]" 2 
       319 1 31 HIS HB2 1 32 MET H    . . 4.370 3.968 3.876 4.156     .  0 0 "[    .    1    .    2]" 2 
       320 1 30 ILE H   1 31 HIS HB2  . . 5.500 5.396 5.157 5.506 0.006 18 0 "[    .    1    .    2]" 2 
       321 1 31 HIS HB2 1 33 ARG H    . . 5.500 5.466 5.336 5.513 0.013 19 0 "[    .    1    .    2]" 2 
       322 1 31 HIS HB3 1 33 ARG H    . . 5.500 4.803 4.696 4.947     .  0 0 "[    .    1    .    2]" 2 
       323 1 22 PHE QE  1 31 HIS HB2  . . 4.410 2.976 2.343 3.472     .  0 0 "[    .    1    .    2]" 2 
       324 1 28 LEU HA  1 31 HIS HB2  . . 3.990 3.827 3.656 3.989     .  0 0 "[    .    1    .    2]" 2 
       325 1 28 LEU MD1 1 31 HIS HB2  . . 4.530 4.407 4.199 4.523     .  0 0 "[    .    1    .    2]" 2 
       326 1 33 ARG H   1 33 ARG HG2  . . 3.880 2.854 1.893 3.567     .  0 0 "[    .    1    .    2]" 2 
       327 1 28 LEU H   1 28 LEU HG   . . 4.600 4.362 4.067 4.500     .  0 0 "[    .    1    .    2]" 2 
       328 1 28 LEU HG  1 32 MET HG3  . . 4.460 3.170 2.203 3.958     .  0 0 "[    .    1    .    2]" 2 
       329 1 13 TYR HA  1 13 TYR QD   . . 3.840 2.750 2.395 3.026     .  0 0 "[    .    1    .    2]" 2 
       330 1 12 PRO HA  1 13 TYR QD   . . 5.500 5.350 5.097 5.495     .  0 0 "[    .    1    .    2]" 2 
       331 1 13 TYR QD  1 25 LYS HA   . . 4.470 3.144 2.082 3.618     .  0 0 "[    .    1    .    2]" 2 
       332 1 13 TYR QD  1 28 LEU MD2  . . 3.760 3.028 2.133 3.283     .  0 0 "[    .    1    .    2]" 2 
       333 1 22 PHE QD  1 28 LEU MD2  . . 4.650 3.901 3.538 4.283     .  0 0 "[    .    1    .    2]" 2 
       334 1 13 TYR QE  1 28 LEU MD2  . . 5.500 4.779 3.899 5.056     .  0 0 "[    .    1    .    2]" 2 
       335 1 22 PHE QE  1 28 LEU MD2  . . 5.500 4.730 4.183 5.204     .  0 0 "[    .    1    .    2]" 2 
       336 1 13 TYR HA  1 28 LEU MD2  . . 4.660 2.835 1.947 3.467     .  0 0 "[    .    1    .    2]" 2 
       337 1 28 LEU HA  1 28 LEU MD2  . . 4.440 3.949 3.913 4.034     .  0 0 "[    .    1    .    2]" 2 
       338 1 13 TYR HB3 1 28 LEU MD2  . . 3.440 2.106 1.827 2.353     .  0 0 "[    .    1    .    2]" 2 
       339 1 20 LYS H   1 20 LYS HG3  . . 5.190 4.159 3.365 4.658     .  0 0 "[    .    1    .    2]" 2 
       340 1 20 LYS HG3 1 21 ALA H    . . 5.120 3.852 2.400 4.992     .  0 0 "[    .    1    .    2]" 2 
       341 1 21 ALA HA  1 22 PHE QD   . . 4.240 2.973 2.602 3.706     .  0 0 "[    .    1    .    2]" 2 
       342 1 22 PHE QD  1 28 LEU HB2  . . 4.160 2.565 2.033 3.095     .  0 0 "[    .    1    .    2]" 2 
       343 1 21 ALA MB  1 22 PHE QD   . . 4.790 4.205 3.922 4.568     .  0 0 "[    .    1    .    2]" 2 
       344 1 22 PHE QD  1 28 LEU MD1  . . 3.480 2.382 2.087 2.635     .  0 0 "[    .    1    .    2]" 2 
       345 1 27 TYR HA  1 27 TYR QD   . . 3.680 2.283 1.997 2.782     .  0 0 "[    .    1    .    2]" 2 
       346 1 27 TYR QD  1 30 ILE HB   . . 4.670 4.010 3.411 4.351     .  0 0 "[    .    1    .    2]" 2 
       347 1 27 TYR QD  1 30 ILE MD   . . 4.000 3.058 2.575 3.780     .  0 0 "[    .    1    .    2]" 2 
       348 1 13 TYR QD  1 22 PHE H    . . 5.500 4.823 4.036 5.441     .  0 0 "[    .    1    .    2]" 2 
       349 1 22 PHE QD  1 28 LEU HB3  . . 5.000 4.218 3.750 4.691     .  0 0 "[    .    1    .    2]" 2 
       350 1 10 GLU H   1 10 GLU QB   . . 3.660 2.630 2.145 3.202     .  0 0 "[    .    1    .    2]" 2 
       351 1 10 GLU H   1 10 GLU QG   . . 4.560 2.915 2.105 4.189     .  0 0 "[    .    1    .    2]" 2 
       352 1 11 LYS H   1 12 PRO QD   . . 4.820 4.132 2.163 4.378     .  0 0 "[    .    1    .    2]" 2 
       353 1 11 LYS HA  1 12 PRO QD   . . 3.410 2.046 1.961 2.405     .  0 0 "[    .    1    .    2]" 2 
       354 1 11 LYS QB  1 12 PRO QD   . . 3.740 2.462 1.980 3.757 0.017 13 0 "[    .    1    .    2]" 2 
       355 1 11 LYS QB  1 13 TYR H    . . 4.370 2.769 2.183 3.791     .  0 0 "[    .    1    .    2]" 2 
       356 1 11 LYS QB  1 13 TYR HB2  . . 4.920 3.808 3.199 4.600     .  0 0 "[    .    1    .    2]" 2 
       357 1 11 LYS QB  1 13 TYR QD   . . 4.000 3.263 1.966 3.979     .  0 0 "[    .    1    .    2]" 2 
       358 1 12 PRO QB  1 13 TYR H    . . 3.740 3.304 2.918 3.728     .  0 0 "[    .    1    .    2]" 2 
       359 1 12 PRO QB  1 13 TYR QD   . . 5.180 4.030 3.505 4.904     .  0 0 "[    .    1    .    2]" 2 
       360 1 12 PRO QG  1 13 TYR H    . . 4.540 2.539 2.003 3.291     .  0 0 "[    .    1    .    2]" 2 
       361 1 12 PRO QG  1 13 TYR QD   . . 4.350 3.051 2.386 3.959     .  0 0 "[    .    1    .    2]" 2 
       362 1 12 PRO QG  1 13 TYR QE   . . 4.150 2.977 2.512 3.863     .  0 0 "[    .    1    .    2]" 2 
       363 1 12 PRO QD  1 13 TYR H    . . 3.630 2.680 2.602 2.960     .  0 0 "[    .    1    .    2]" 2 
       364 1 12 PRO QD  1 13 TYR QD   . . 3.820 3.335 2.675 3.819     .  0 0 "[    .    1    .    2]" 2 
       365 1 12 PRO QD  1 13 TYR QE   . . 4.230 3.613 2.616 4.165     .  0 0 "[    .    1    .    2]" 2 
       366 1 13 TYR QD  1 25 LYS QB   . . 5.340 3.401 2.910 3.898     .  0 0 "[    .    1    .    2]" 2 
       367 1 13 TYR QE  1 24 SER QB   . . 5.340 4.790 3.842 5.310     .  0 0 "[    .    1    .    2]" 2 
       368 1 13 TYR QE  1 25 LYS QB   . . 3.700 2.543 2.011 3.312     .  0 0 "[    .    1    .    2]" 2 
       369 1 13 TYR QE  1 25 LYS QG   . . 4.180 3.074 1.990 4.052     .  0 0 "[    .    1    .    2]" 2 
       370 1 14 GLY QA  1 15 CYS H    . . 3.080 2.146 2.110 2.299     .  0 0 "[    .    1    .    2]" 2 
       371 1 14 GLY QA  1 21 ALA HA   . . 4.130 2.197 1.991 2.853     .  0 0 "[    .    1    .    2]" 2 
       372 1 14 GLY QA  1 21 ALA MB   . . 4.210 2.897 2.456 3.308     .  0 0 "[    .    1    .    2]" 2 
       373 1 14 GLY QA  1 22 PHE H    . . 4.520 3.487 3.034 4.239     .  0 0 "[    .    1    .    2]" 2 
       374 1 16 SER QB  1 17 GLU H    . . 4.480 3.551 2.713 4.038     .  0 0 "[    .    1    .    2]" 2 
       375 1 17 GLU H   1 17 GLU QB   . . 3.150 2.428 2.172 2.612     .  0 0 "[    .    1    .    2]" 2 
       376 1 17 GLU H   1 17 GLU QG   . . 4.150 3.447 2.092 4.150 0.000 18 0 "[    .    1    .    2]" 2 
       377 1 17 GLU HA  1 17 GLU QG   . . 3.730 2.599 2.293 2.923     .  0 0 "[    .    1    .    2]" 2 
       378 1 17 GLU QB  1 18 CYS H    . . 3.260 2.440 2.226 2.804     .  0 0 "[    .    1    .    2]" 2 
       379 1 17 GLU QB  1 18 CYS QB   . . 5.180 3.502 3.330 3.776     .  0 0 "[    .    1    .    2]" 2 
       380 1 17 GLU QB  1 19 GLY H    . . 4.650 4.204 4.097 4.405     .  0 0 "[    .    1    .    2]" 2 
       381 1 17 GLU QB  1 32 MET ME   . . 3.930 2.900 1.968 3.347     .  0 0 "[    .    1    .    2]" 2 
       382 1 17 GLU QB  1 35 HIS HD2  . . 4.220 3.112 2.610 3.774     .  0 0 "[    .    1    .    2]" 2 
       383 1 17 GLU QG  1 18 CYS H    . . 4.720 4.044 3.036 4.474     .  0 0 "[    .    1    .    2]" 2 
       384 1 17 GLU QG  1 32 MET ME   . . 4.600 2.909 1.994 4.001     .  0 0 "[    .    1    .    2]" 2 
       385 1 17 GLU QG  1 35 HIS HB3  . . 4.760 2.595 2.003 3.889     .  0 0 "[    .    1    .    2]" 2 
       386 1 18 CYS H   1 18 CYS QB   . . 3.350 2.833 2.682 3.011     .  0 0 "[    .    1    .    2]" 2 
       387 1 18 CYS H   1 19 GLY QA   . . 4.170 3.942 3.782 4.119     .  0 0 "[    .    1    .    2]" 2 
       388 1 18 CYS QB  1 19 GLY H    . . 4.020 3.371 3.291 3.485     .  0 0 "[    .    1    .    2]" 2 
       389 1 18 CYS QB  1 35 HIS HE1  . . 3.270 2.112 1.987 2.392     .  0 0 "[    .    1    .    2]" 2 
       390 1 19 GLY H   1 20 LYS QB   . . 4.730 3.695 3.524 3.906     .  0 0 "[    .    1    .    2]" 2 
       391 1 20 LYS H   1 20 LYS QB   . . 3.190 2.503 2.286 2.615     .  0 0 "[    .    1    .    2]" 2 
       392 1 20 LYS H   1 20 LYS QG   . . 4.540 3.795 2.803 4.167     .  0 0 "[    .    1    .    2]" 2 
       393 1 20 LYS HA  1 20 LYS QG   . . 3.210 2.309 2.147 2.687     .  0 0 "[    .    1    .    2]" 2 
       394 1 20 LYS QB  1 21 ALA H    . . 3.890 3.271 2.015 3.853     .  0 0 "[    .    1    .    2]" 2 
       395 1 20 LYS QB  1 22 PHE HZ   . . 4.010 3.049 2.154 3.601     .  0 0 "[    .    1    .    2]" 2 
       396 1 20 LYS QB  1 31 HIS HE1  . . 4.550 3.515 2.782 4.399     .  0 0 "[    .    1    .    2]" 2 
       397 1 20 LYS QG  1 22 PHE QE   . . 4.940 3.747 2.636 4.918     .  0 0 "[    .    1    .    2]" 2 
       398 1 20 LYS QG  1 31 HIS HE1  . . 4.540 4.116 2.796 4.541 0.001 14 0 "[    .    1    .    2]" 2 
       399 1 22 PHE QD  1 27 TYR QB   . . 3.690 2.391 1.989 3.668     .  0 0 "[    .    1    .    2]" 2 
       400 1 24 SER H   1 24 SER QB   . . 3.710 2.682 2.361 3.396     .  0 0 "[    .    1    .    2]" 2 
       401 1 24 SER H   1 27 TYR QB   . . 3.590 2.882 2.426 3.580     .  0 0 "[    .    1    .    2]" 2 
       402 1 24 SER QB  1 25 LYS H    . . 3.740 2.599 2.014 3.656     .  0 0 "[    .    1    .    2]" 2 
       403 1 24 SER QB  1 27 TYR QD   . . 4.500 2.968 1.991 4.452     .  0 0 "[    .    1    .    2]" 2 
       404 1 25 LYS H   1 25 LYS QB   . . 3.260 2.256 2.121 2.531     .  0 0 "[    .    1    .    2]" 2 
       405 1 25 LYS QB  1 29 ILE MD   . . 4.760 3.714 1.957 4.751     .  0 0 "[    .    1    .    2]" 2 
       406 1 27 TYR H   1 27 TYR QB   . . 3.130 2.226 2.126 2.357     .  0 0 "[    .    1    .    2]" 2 
       407 1 27 TYR QB  1 28 LEU H    . . 3.750 2.573 2.152 2.910     .  0 0 "[    .    1    .    2]" 2 
       408 1 27 TYR QB  1 29 ILE H    . . 5.340 4.742 4.628 4.947     .  0 0 "[    .    1    .    2]" 2 
       409 1 27 TYR QB  1 30 ILE MD   . . 4.620 4.124 3.775 4.373     .  0 0 "[    .    1    .    2]" 2 
       410 1 28 LEU H   1 29 ILE QG   . . 5.040 4.211 3.763 4.431     .  0 0 "[    .    1    .    2]" 2 
       411 1 28 LEU HG  1 32 MET QG   . . 3.890 2.699 2.068 3.221     .  0 0 "[    .    1    .    2]" 2 
       412 1 29 ILE HA  1 29 ILE QG   . . 3.270 2.542 2.406 2.999     .  0 0 "[    .    1    .    2]" 2 
       413 1 30 ILE HA  1 33 ARG QB   . . 4.550 3.654 2.741 4.090     .  0 0 "[    .    1    .    2]" 2 
       414 1 30 ILE HA  1 33 ARG QG   . . 3.480 2.535 2.005 3.456     .  0 0 "[    .    1    .    2]" 2 
       415 1 31 HIS HD2 1 32 MET QG   . . 4.280 3.265 2.849 3.620     .  0 0 "[    .    1    .    2]" 2 
       416 1 32 MET H   1 32 MET QG   . . 3.490 2.469 2.173 2.755     .  0 0 "[    .    1    .    2]" 2 
       417 1 32 MET H   1 33 ARG QB   . . 5.340 4.728 4.316 4.946     .  0 0 "[    .    1    .    2]" 2 
       418 1 32 MET H   1 33 ARG QG   . . 4.590 4.175 3.785 4.480     .  0 0 "[    .    1    .    2]" 2 
       419 1 32 MET HA  1 32 MET QG   . . 3.700 2.669 2.304 3.011     .  0 0 "[    .    1    .    2]" 2 
       420 1 32 MET ME  1 32 MET QG   . . 3.560 2.182 1.984 2.384     .  0 0 "[    .    1    .    2]" 2 
       421 1 33 ARG H   1 33 ARG QB   . . 2.930 2.444 2.250 2.632     .  0 0 "[    .    1    .    2]" 2 
       422 1 33 ARG H   1 33 ARG QG   . . 3.350 2.212 1.875 2.593     .  0 0 "[    .    1    .    2]" 2 
       423 1 33 ARG QB  1 34 THR H    . . 4.030 2.874 2.591 3.673     .  0 0 "[    .    1    .    2]" 2 
       424 1 33 ARG QB  1 34 THR MG   . . 4.650 3.736 3.005 4.653 0.003 14 0 "[    .    1    .    2]" 2 
       425 1 33 ARG QB  1 35 HIS H    . . 5.340 4.822 4.470 5.343 0.003 14 0 "[    .    1    .    2]" 2 
       426 1 33 ARG QG  1 34 THR H    . . 4.780 3.797 2.102 4.308     .  0 0 "[    .    1    .    2]" 2 
       427 1 38 GLU H   1 38 GLU QB   . . 3.580 2.581 2.243 3.286     .  0 0 "[    .    1    .    2]" 2 
       428 1 38 GLU H   1 38 GLU QG   . . 4.570 3.123 1.883 4.259     .  0 0 "[    .    1    .    2]" 2 
       429 1 38 GLU QB  1 39 LYS H    . . 4.420 3.405 2.385 4.045     .  0 0 "[    .    1    .    2]" 2 
       430 1 39 LYS H   1 39 LYS QB   . . 3.650 2.611 2.129 3.285     .  0 0 "[    .    1    .    2]" 2 
       431 1 39 LYS HA  1 40 PRO QD   . . 3.300 2.036 1.952 2.283     .  0 0 "[    .    1    .    2]" 2 
       432 1 39 LYS QB  1 40 PRO QD   . . 4.000 2.822 1.973 3.824     .  0 0 "[    .    1    .    2]" 2 
    stop_

save_



Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Saturday, February 29, 2020 1:50:02 PM GMT (wattos1)