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
542541 2ldm 17673 cing 4-filtered-FRED Wattos check violation distance


data_2ldm


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              66
    _Distance_constraint_stats_list.Viol_count                    10
    _Distance_constraint_stats_list.Viol_total                    1.087
    _Distance_constraint_stats_list.Viol_max                      0.012
    _Distance_constraint_stats_list.Viol_rms                      0.0006
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0000
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0054
    _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  6 GLU 0.011 0.011 12 0 "[    .    1    .    2]" 
       1  8 GLN 0.011 0.011 12 0 "[    .    1    .    2]" 
       1  9 ILE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 10 ASN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 11 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 13 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 14 LEU 0.039 0.012 17 0 "[    .    1    .    2]" 
       1 15 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 17 TRP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 18 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 19 ASP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 20 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 21 ARG 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 23 TYR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 24 PRO 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 25 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 26 LYS 0.004 0.002 18 0 "[    .    1    .    2]" 
       1 27 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 28 THR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 29 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 30 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 31 ASN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 34 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 35 THR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 36 TYR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 37 THR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 38 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 39 LYS 0.004 0.002 18 0 "[    .    1    .    2]" 
       1 40 PHE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 41 TYR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 42 ASP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 43 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 44 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 46 GLN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 48 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 49 LYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 50 HIS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 52 HIS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 54 LYS 0.039 0.012 17 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 10 ASN H   1 27 VAL O   2.200 . 2.700 1.951 1.860 2.048     .  0 0 "[    .    1    .    2]" 1 
        2 1 10 ASN N   1 27 VAL O   3.200 . 3.700 2.919 2.846 3.029     .  0 0 "[    .    1    .    2]" 1 
        3 1  8 GLN O   1 11 GLU H   2.200 . 2.700 2.206 2.091 2.226     .  0 0 "[    .    1    .    2]" 1 
        4 1  8 GLN O   1 11 GLU N   3.200 . 3.700 3.020 2.947 3.048     .  0 0 "[    .    1    .    2]" 1 
        5 1 13 VAL H   1 25 ALA O   2.200 . 2.700 1.897 1.830 1.952     .  0 0 "[    .    1    .    2]" 1 
        6 1 13 VAL N   1 25 ALA O   3.200 . 3.700 2.831 2.773 2.863     .  0 0 "[    .    1    .    2]" 1 
        7 1 14 LEU H   1 54 LYS O   2.200 . 2.700 1.830 1.788 1.919 0.012 17 0 "[    .    1    .    2]" 1 
        8 1 14 LEU N   1 54 LYS O   3.200 . 3.700 2.839 2.788 2.932     .  0 0 "[    .    1    .    2]" 1 
        9 1 15 ALA H   1 23 TYR O   2.200 . 2.700 1.898 1.848 1.948     .  0 0 "[    .    1    .    2]" 1 
       10 1 15 ALA N   1 23 TYR O   3.200 . 3.700 2.903 2.853 2.952     .  0 0 "[    .    1    .    2]" 1 
       11 1 17 TRP H   1 21 ARG O   2.200 . 2.700 2.008 1.940 2.118     .  0 0 "[    .    1    .    2]" 1 
       12 1 17 TRP N   1 21 ARG O   3.200 . 3.700 2.973 2.935 3.035     .  0 0 "[    .    1    .    2]" 1 
       13 1 17 TRP O   1 20 SER H   2.200 . 2.700 2.163 1.877 2.230     .  0 0 "[    .    1    .    2]" 1 
       14 1 17 TRP O   1 20 SER N   3.200 . 3.700 3.061 2.832 3.142     .  0 0 "[    .    1    .    2]" 1 
       15 1 15 ALA O   1 23 TYR H   2.200 . 2.700 2.067 1.983 2.138     .  0 0 "[    .    1    .    2]" 1 
       16 1 15 ALA O   1 23 TYR N   3.200 . 3.700 2.981 2.906 3.060     .  0 0 "[    .    1    .    2]" 1 
       17 1 13 VAL O   1 25 ALA H   2.200 . 2.700 1.961 1.901 2.136     .  0 0 "[    .    1    .    2]" 1 
       18 1 13 VAL O   1 25 ALA N   3.200 . 3.700 2.893 2.834 3.067     .  0 0 "[    .    1    .    2]" 1 
       19 1 26 LYS H   1 39 LYS O   2.200 . 2.700 1.843 1.798 1.914 0.002 12 0 "[    .    1    .    2]" 1 
       20 1 26 LYS N   1 39 LYS O   3.200 . 3.700 2.851 2.812 2.928     .  0 0 "[    .    1    .    2]" 1 
       21 1 11 GLU O   1 27 VAL H   2.200 . 2.700 1.880 1.839 1.942     .  0 0 "[    .    1    .    2]" 1 
       22 1 11 GLU O   1 27 VAL N   3.200 . 3.700 2.889 2.850 2.953     .  0 0 "[    .    1    .    2]" 1 
       23 1 28 THR H   1 37 THR O   2.200 . 2.700 1.901 1.865 1.941     .  0 0 "[    .    1    .    2]" 1 
       24 1 28 THR N   1 37 THR O   3.200 . 3.700 2.904 2.874 2.951     .  0 0 "[    .    1    .    2]" 1 
       25 1 29 ALA H   1 37 THR O   2.200 . 2.700 2.115 2.061 2.172     .  0 0 "[    .    1    .    2]" 1 
       26 1 29 ALA N   1 37 THR O   3.200 . 3.700 3.119 3.068 3.180     .  0 0 "[    .    1    .    2]" 1 
       27 1 31 ASN H   1 35 THR O   2.200 . 2.700 1.961 1.904 2.066     .  0 0 "[    .    1    .    2]" 1 
       28 1 31 ASN N   1 35 THR O   3.200 . 3.700 2.898 2.869 2.948     .  0 0 "[    .    1    .    2]" 1 
       29 1 31 ASN O   1 34 GLY H   2.200 . 2.700 1.956 1.927 2.018     .  0 0 "[    .    1    .    2]" 1 
       30 1 31 ASN O   1 34 GLY N   3.200 . 3.700 2.941 2.915 3.012     .  0 0 "[    .    1    .    2]" 1 
       31 1 36 TYR H   1 48 VAL O   2.200 . 2.700 1.847 1.817 1.862     .  0 0 "[    .    1    .    2]" 1 
       32 1 36 TYR N   1 48 VAL O   3.200 . 3.700 2.799 2.777 2.824     .  0 0 "[    .    1    .    2]" 1 
       33 1 29 ALA O   1 37 THR H   2.200 . 2.700 1.912 1.855 1.940     .  0 0 "[    .    1    .    2]" 1 
       34 1 29 ALA O   1 37 THR N   3.200 . 3.700 2.885 2.840 2.923     .  0 0 "[    .    1    .    2]" 1 
       35 1 38 VAL H   1 46 GLN O   2.200 . 2.700 2.097 2.040 2.160     .  0 0 "[    .    1    .    2]" 1 
       36 1 38 VAL N   1 46 GLN O   3.200 . 3.700 3.077 3.028 3.139     .  0 0 "[    .    1    .    2]" 1 
       37 1 26 LYS O   1 39 LYS H   2.200 . 2.700 1.836 1.798 1.886 0.002 18 0 "[    .    1    .    2]" 1 
       38 1 26 LYS O   1 39 LYS N   3.200 . 3.700 2.841 2.808 2.887     .  0 0 "[    .    1    .    2]" 1 
       39 1 40 PHE H   1 44 VAL O   2.200 . 2.700 1.846 1.828 1.874     .  0 0 "[    .    1    .    2]" 1 
       40 1 40 PHE N   1 44 VAL O   3.200 . 3.700 2.843 2.813 2.878     .  0 0 "[    .    1    .    2]" 1 
       41 1 40 PHE O   1 43 GLY H   2.200 . 2.700 1.995 1.936 2.072     .  0 0 "[    .    1    .    2]" 1 
       42 1 40 PHE O   1 43 GLY N   3.200 . 3.700 2.953 2.890 3.004     .  0 0 "[    .    1    .    2]" 1 
       43 1 38 VAL O   1 46 GLN H   2.200 . 2.700 2.135 2.061 2.228     .  0 0 "[    .    1    .    2]" 1 
       44 1 38 VAL O   1 46 GLN N   3.200 . 3.700 3.104 3.038 3.189     .  0 0 "[    .    1    .    2]" 1 
       45 1 36 TYR O   1 48 VAL H   2.200 . 2.700 1.840 1.823 1.871     .  0 0 "[    .    1    .    2]" 1 
       46 1 36 TYR O   1 48 VAL N   3.200 . 3.700 2.840 2.819 2.870     .  0 0 "[    .    1    .    2]" 1 
       47 1 34 GLY O   1 50 HIS H   2.200 . 2.700 2.015 1.949 2.202     .  0 0 "[    .    1    .    2]" 1 
       48 1 34 GLY O   1 50 HIS N   3.200 . 3.700 2.946 2.882 3.090     .  0 0 "[    .    1    .    2]" 1 
       49 1 49 LYS O   1 52 HIS H   2.200 . 2.700 1.934 1.907 1.998     .  0 0 "[    .    1    .    2]" 1 
       50 1 49 LYS O   1 52 HIS N   3.200 . 3.700 2.889 2.856 2.954     .  0 0 "[    .    1    .    2]" 1 
       51 1 14 LEU O   1 54 LYS H   2.200 . 2.700 1.932 1.893 1.998     .  0 0 "[    .    1    .    2]" 1 
       52 1 14 LEU O   1 54 LYS N   3.200 . 3.700 2.924 2.894 2.985     .  0 0 "[    .    1    .    2]" 1 
       53 1  6 GLU O   1  8 GLN QE  2.200 . 2.700 2.045 1.789 2.237 0.011 12 0 "[    .    1    .    2]" 1 
       54 1 15 ALA H   1 40 PHE QE  5.050 . 5.550 3.678 3.463 3.861     .  0 0 "[    .    1    .    2]" 1 
       55 1 23 TYR H   1 41 TYR HE2 7.500 . 8.000 7.542 7.504 7.599     .  0 0 "[    .    1    .    2]" 1 
       56 1 41 TYR HE2 1 42 ASP QB  8.420 . 8.920 7.460 7.317 7.514     .  0 0 "[    .    1    .    2]" 1 
       57 1  8 GLN HA  1  9 ILE QG  5.050 . 5.550 4.025 3.910 4.138     .  0 0 "[    .    1    .    2]" 1 
       58 1  8 GLN HA  1 30 VAL QG  6.070 . 6.570 3.698 3.155 4.152     .  0 0 "[    .    1    .    2]" 1 
       59 1 23 TYR QB  1 24 PRO QD  4.410 . 4.910 2.191 2.097 2.283     .  0 0 "[    .    1    .    2]" 1 
       60 1 23 TYR QB  1 24 PRO QG  5.670 . 6.170 3.672 3.509 3.754     .  0 0 "[    .    1    .    2]" 1 
       61 1 23 TYR QD  1 24 PRO QD  5.670 . 6.170 2.878 2.662 3.160     .  0 0 "[    .    1    .    2]" 1 
       62 1 27 VAL HA  1 30 VAL QG  7.410 . 7.910 4.526 4.448 4.580     .  0 0 "[    .    1    .    2]" 1 
       63 1 36 TYR QB  1 37 THR HB  8.420 . 8.920 5.418 5.348 5.831     .  0 0 "[    .    1    .    2]" 1 
       64 1 17 TRP HE3 1 19 ASP HA  4.500 . 5.000 4.618 4.515 4.663     .  0 0 "[    .    1    .    2]" 1 
       65 1 17 TRP HE3 1 19 ASP QB  3.140 . 3.640 2.051 2.006 2.149     .  0 0 "[    .    1    .    2]" 1 
       66 1 17 TRP HD1 1 18 SER QB  5.050 . 5.550 4.487 4.313 4.520     .  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              120
    _Distance_constraint_stats_list.Viol_count                    0
    _Distance_constraint_stats_list.Viol_total                    0.000
    _Distance_constraint_stats_list.Viol_max                      0.000
    _Distance_constraint_stats_list.Viol_rms                      0.0000
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0000
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0000
    _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  5 SER 0.000 0.000 . 0 "[    .    1    .    2]" 
       1  6 GLU 0.000 0.000 . 0 "[    .    1    .    2]" 
       1  7 PHE 0.000 0.000 . 0 "[    .    1    .    2]" 
       1  8 GLN 0.000 0.000 . 0 "[    .    1    .    2]" 
       1  9 ILE 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 12 GLN 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 13 VAL 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 14 LEU 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 15 ALA 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 16 SER 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 17 TRP 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 18 SER 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 19 ASP 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 20 SER 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 21 ARG 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 22 PHE 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 23 TYR 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 24 PRO 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 25 ALA 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 26 LYS 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 27 VAL 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 30 VAL 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 32 LYS 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 36 TYR 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 37 THR 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 38 VAL 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 40 PHE 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 41 TYR 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 42 ASP 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 44 VAL 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 46 GLN 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 48 VAL 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 49 LYS 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 50 HIS 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 51 ILE 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 52 HIS 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 53 VAL 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 54 LYS 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 55 ALA 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 56 PHE 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 58 LYS 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 61 ASN 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 62 ILE 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 63 VAL 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 64 GLY 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 70 ARG 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 72 HIS 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 76 LEU 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 80 LYS 0.000 0.000 . 0 "[    .    1    .    2]" 
    stop_

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

         1 1 17 TRP HD1 1 44 VAL QG   7.410 .  7.910 3.838 3.407 4.300 . 0 0 "[    .    1    .    2]" 2 
         2 1 17 TRP HD1 1 19 ASP QB   6.170 .  6.670 5.518 5.502 5.540 . 0 0 "[    .    1    .    2]" 2 
         3 1 17 TRP HA  1 17 TRP HD1  4.500 .  5.000 2.350 2.228 2.411 . 0 0 "[    .    1    .    2]" 2 
         4 1 17 TRP HZ2 1 44 VAL QG   9.340 .  9.840 3.470 3.124 3.926 . 0 0 "[    .    1    .    2]" 2 
         5 1 40 PHE QE  1 46 GLN QB   6.170 .  6.670 4.099 3.851 4.492 . 0 0 "[    .    1    .    2]" 2 
         6 1 17 TRP HZ2 1 42 ASP QB   7.780 .  8.280 4.270 3.415 5.019 . 0 0 "[    .    1    .    2]" 2 
         7 1 17 TRP QB  1 40 PHE QE   6.170 .  6.670 2.940 2.502 3.192 . 0 0 "[    .    1    .    2]" 2 
         8 1 17 TRP HZ2 1 18 SER QB   8.420 .  8.920 5.675 5.320 5.909 . 0 0 "[    .    1    .    2]" 2 
         9 1  7 PHE HD1 1 13 VAL QG   6.070 .  6.570 4.029 3.654 4.486 . 0 0 "[    .    1    .    2]" 2 
        10 1  7 PHE HD1 1 27 VAL QG   7.410 .  7.910 5.110 4.813 5.343 . 0 0 "[    .    1    .    2]" 2 
        11 1  7 PHE HD1 1 55 ALA MB   6.610 .  7.110 4.302 3.731 5.012 . 0 0 "[    .    1    .    2]" 2 
        12 1  6 GLU HA  1  7 PHE HD1  7.500 .  8.000 5.810 5.207 6.234 . 0 0 "[    .    1    .    2]" 2 
        13 1  7 PHE HD1 1  8 GLN HA   6.170 .  6.670 4.291 3.778 4.894 . 0 0 "[    .    1    .    2]" 2 
        14 1  7 PHE HA  1  7 PHE HD1  3.500 .  4.000 2.750 2.516 3.030 . 0 0 "[    .    1    .    2]" 2 
        15 1  7 PHE H   1  7 PHE HD1  4.500 .  5.000 3.902 2.963 4.671 . 0 0 "[    .    1    .    2]" 2 
        16 1  6 GLU H   1  7 PHE HD1  7.500 .  8.000 5.074 4.592 5.833 . 0 0 "[    .    1    .    2]" 2 
        17 1  7 PHE HD1 1  8 GLN H    5.500 .  6.000 4.893 4.428 5.493 . 0 0 "[    .    1    .    2]" 2 
        18 1  7 PHE HD2 1 62 ILE MG   6.610 .  7.110 3.704 2.386 4.482 . 0 0 "[    .    1    .    2]" 2 
        19 1  7 PHE HD2 1 55 ALA MB   6.610 .  7.110 2.520 2.337 2.674 . 0 0 "[    .    1    .    2]" 2 
        20 1  6 GLU QB  1  7 PHE HD2  7.410 .  7.910 4.963 4.105 5.492 . 0 0 "[    .    1    .    2]" 2 
        21 1  6 GLU HA  1  7 PHE HD2  5.500 .  6.000 3.614 3.048 4.185 . 0 0 "[    .    1    .    2]" 2 
        22 1  5 SER HA  1  7 PHE HD2  6.170 .  6.670 4.095 3.551 4.597 . 0 0 "[    .    1    .    2]" 2 
        23 1  7 PHE HD2 1 55 ALA H    5.500 .  6.000 5.485 5.306 5.576 . 0 0 "[    .    1    .    2]" 2 
        24 1  7 PHE HD2 1  8 GLN H    7.500 .  8.000 5.965 5.481 6.318 . 0 0 "[    .    1    .    2]" 2 
        25 1  7 PHE HD2 1  8 GLN HA   7.500 .  8.000 6.868 6.625 7.245 . 0 0 "[    .    1    .    2]" 2 
        26 1 25 ALA MB  1 41 TYR QE   7.410 .  7.910 4.474 4.396 4.744 . 0 0 "[    .    1    .    2]" 2 
        27 1 41 TYR HE2 1 76 LEU QD   7.410 .  7.910 5.087 4.691 5.546 . 0 0 "[    .    1    .    2]" 2 
        28 1 26 LYS QB  1 41 TYR HE1  6.930 .  7.430 2.896 2.489 4.047 . 0 0 "[    .    1    .    2]" 2 
        29 1 24 PRO QG  1 41 TYR HE2  5.050 .  5.550 2.263 2.162 2.416 . 0 0 "[    .    1    .    2]" 2 
        30 1 24 PRO QB  1 41 TYR HE2  5.050 .  5.550 2.237 2.204 2.273 . 0 0 "[    .    1    .    2]" 2 
        31 1 23 TYR QB  1 41 TYR HE2  6.930 .  7.430 5.084 4.896 5.219 . 0 0 "[    .    1    .    2]" 2 
        32 1 24 PRO QD  1 41 TYR HE2  5.050 .  5.550 4.127 4.025 4.248 . 0 0 "[    .    1    .    2]" 2 
        33 1 41 TYR HE2 1 76 LEU HA   6.170 .  6.670 5.178 3.579 5.568 . 0 0 "[    .    1    .    2]" 2 
        34 1 12 GLN HA  1 41 TYR QE   5.670 .  6.170 3.321 3.185 3.646 . 0 0 "[    .    1    .    2]" 2 
        35 1 23 TYR HA  1 41 TYR HE2  7.500 .  8.000 6.547 6.459 6.670 . 0 0 "[    .    1    .    2]" 2 
        36 1 12 GLN QE  1 41 TYR QE   6.930 .  7.430 4.579 3.272 5.589 . 0 0 "[    .    1    .    2]" 2 
        37 1 41 TYR H   1 41 TYR QE   5.050 .  5.550 3.928 3.821 4.043 . 0 0 "[    .    1    .    2]" 2 
        38 1 36 TYR QD  1 53 VAL QG   5.940 .  6.440 2.669 2.483 2.784 . 0 0 "[    .    1    .    2]" 2 
        39 1 27 VAL QG  1 36 TYR HD2  7.280 .  7.780 3.727 3.108 4.002 . 0 0 "[    .    1    .    2]" 2 
        40 1  9 ILE QG  1 36 TYR QD   8.250 .  8.750 3.767 3.539 3.936 . 0 0 "[    .    1    .    2]" 2 
        41 1 36 TYR HD2 1 53 VAL HB       . .  5.000 3.042 2.809 3.493 . 0 0 "[    .    1    .    2]" 2 
        42 1 13 VAL HB  1 36 TYR QD   7.410 .  7.910 4.874 4.723 5.290 . 0 0 "[    .    1    .    2]" 2 
        43 1 36 TYR HD2 1 64 GLY QA   5.670 .  6.170 4.796 3.941 5.114 . 0 0 "[    .    1    .    2]" 2 
        44 1 38 VAL QG  1 40 PHE QD   8.320 .  8.820 3.878 3.334 4.188 . 0 0 "[    .    1    .    2]" 2 
        45 1 25 ALA MB  1 40 PHE QD   5.400 .  5.900 2.657 2.474 2.911 . 0 0 "[    .    1    .    2]" 2 
        46 1 40 PHE QD  1 44 VAL QG       . .  6.570 2.805 2.598 3.486 . 0 0 "[    .    1    .    2]" 2 
        47 1 15 ALA MB  1 40 PHE QD       . .  6.570 4.190 3.991 4.398 . 0 0 "[    .    1    .    2]" 2 
        48 1 24 PRO QG  1 40 PHE QD   7.780 .  8.280 4.416 4.238 4.595 . 0 0 "[    .    1    .    2]" 2 
        49 1 24 PRO QB  1 40 PHE QD   7.780 .  8.280 4.567 4.406 4.730 . 0 0 "[    .    1    .    2]" 2 
        50 1 40 PHE HA  1 41 TYR QD   5.050 .  5.550 4.224 4.108 4.362 . 0 0 "[    .    1    .    2]" 2 
        51 1 23 TYR QD  1 40 PHE QD   7.410 .  7.910 4.468 4.351 4.568 . 0 0 "[    .    1    .    2]" 2 
        52 1 41 TYR H   1 41 TYR QD   3.930 .  4.430 2.579 2.363 2.753 . 0 0 "[    .    1    .    2]" 2 
        53 1 15 ALA H   1 40 PHE QD   6.170 .  6.670 5.417 5.233 5.531 . 0 0 "[    .    1    .    2]" 2 
        54 1 14 LEU QD  1 22 PHE HD1  8.640 .  9.140 4.129 3.736 4.835 . 0 0 "[    .    1    .    2]" 2 
        55 1 14 LEU QB  1 22 PHE HD1  5.050 .  5.550 3.214 2.693 4.245 . 0 0 "[    .    1    .    2]" 2 
        56 1 21 ARG HA  1 22 PHE HD1  5.500 .  6.000 4.988 3.893 5.521 . 0 0 "[    .    1    .    2]" 2 
        57 1 14 LEU HA  1 22 PHE HD1  6.610 .  7.110 3.599 3.387 4.008 . 0 0 "[    .    1    .    2]" 2 
        58 1 15 ALA HA  1 22 PHE HD1      . .  5.000 2.970 2.730 3.444 . 0 0 "[    .    1    .    2]" 2 
        59 1 22 PHE H   1 22 PHE HD1  4.500 .  5.000 3.564 3.181 3.842 . 0 0 "[    .    1    .    2]" 2 
        60 1 22 PHE HD1 1 23 TYR H    5.500 .  6.000 3.696 3.552 3.905 . 0 0 "[    .    1    .    2]" 2 
        61 1 14 LEU QD  1 56 PHE HD1      . .  6.570 2.574 2.371 2.765 . 0 0 "[    .    1    .    2]" 2 
        62 1 14 LEU QB  1 56 PHE HD1  5.880 .  6.380 4.291 4.200 4.427 . 0 0 "[    .    1    .    2]" 2 
        63 1 12 GLN QB  1 56 PHE HD1  7.190 .  7.690 3.875 3.501 4.615 . 0 0 "[    .    1    .    2]" 2 
        64 1 24 PRO QB  1 56 PHE HD1  6.170 .  6.670 3.428 3.030 4.505 . 0 0 "[    .    1    .    2]" 2 
        65 1 56 PHE HA  1 56 PHE HD1  4.500 .  5.000 2.371 2.125 2.636 . 0 0 "[    .    1    .    2]" 2 
        66 1 14 LEU H   1 56 PHE HD1  5.500 .  6.000 4.688 4.432 5.217 . 0 0 "[    .    1    .    2]" 2 
        67 1 14 LEU QD  1 56 PHE HE1      . .  6.570 2.474 2.377 2.535 . 0 0 "[    .    1    .    2]" 2 
        68 1 14 LEU QB  1 56 PHE HE1  6.170 .  6.670 5.508 5.444 5.530 . 0 0 "[    .    1    .    2]" 2 
        69 1 12 GLN QB  1 56 PHE HE1  6.930 .  7.430 3.886 3.546 4.551 . 0 0 "[    .    1    .    2]" 2 
        70 1 22 PHE QB  1 56 PHE HE1  8.420 .  8.920 6.273 6.008 6.579 . 0 0 "[    .    1    .    2]" 2 
        71 1 22 PHE HZ  1 53 VAL QG   7.410 .  7.910 5.577 5.548 5.627 . 0 0 "[    .    1    .    2]" 2 
        72 1 22 PHE HZ  1 54 LYS QG   5.670 .  6.170 3.811 3.623 4.175 . 0 0 "[    .    1    .    2]" 2 
        73 1 22 PHE HZ  1 54 LYS QD   6.170 .  6.670 3.767 3.493 4.151 . 0 0 "[    .    1    .    2]" 2 
        74 1 22 PHE HZ  1 54 LYS QE   6.170 .  6.670 3.479 3.141 4.187 . 0 0 "[    .    1    .    2]" 2 
        75 1 16 SER QB  1 22 PHE HZ   6.170 .  6.670 5.502 5.353 5.565 . 0 0 "[    .    1    .    2]" 2 
        76 1 22 PHE HZ  1 52 HIS HA   4.500 .  5.000 4.034 3.853 4.228 . 0 0 "[    .    1    .    2]" 2 
        77 1 16 SER H   1 22 PHE HZ   5.500 .  6.000 5.528 5.458 5.561 . 0 0 "[    .    1    .    2]" 2 
        78 1  7 PHE HZ  1 55 ALA MB   6.610 .  7.110 3.907 3.588 4.035 . 0 0 "[    .    1    .    2]" 2 
        79 1  7 PHE HZ  1 55 ALA H    7.500 .  8.000 7.502 7.214 7.584 . 0 0 "[    .    1    .    2]" 2 
        80 1 21 ARG QB  1 23 TYR HE1  6.170 .  6.670 5.420 4.844 5.561 . 0 0 "[    .    1    .    2]" 2 
        81 1 19 ASP QB  1 23 TYR QE   6.930 .  7.430 2.347 2.167 2.600 . 0 0 "[    .    1    .    2]" 2 
        82 1 17 TRP QB  1 23 TYR HE1  5.670 .  6.170 2.194 2.066 2.321 . 0 0 "[    .    1    .    2]" 2 
        83 1 17 TRP QB  1 23 TYR HE1  5.050 .  5.550 2.647 2.544 2.707 . 0 0 "[    .    1    .    2]" 2 
        84 1 17 TRP HA  1 23 TYR HE1  5.500 .  6.000 5.557 5.490 5.606 . 0 0 "[    .    1    .    2]" 2 
        85 1 17 TRP HZ3 1 23 TYR QE   5.670 .  6.170 3.781 3.690 3.894 . 0 0 "[    .    1    .    2]" 2 
        86 1 17 TRP HH2 1 23 TYR QE   6.170 .  6.670 5.546 5.503 5.592 . 0 0 "[    .    1    .    2]" 2 
        87 1 19 ASP H   1 23 TYR QE   6.170 .  6.670 4.180 4.080 4.363 . 0 0 "[    .    1    .    2]" 2 
        88 1 20 SER H   1 23 TYR HE1  6.170 .  6.670 2.858 2.648 4.263 . 0 0 "[    .    1    .    2]" 2 
        89 1 17 TRP HZ3 1 19 ASP QB       . .  6.670 2.877 2.793 3.064 . 0 0 "[    .    1    .    2]" 2 
        90 1 14 LEU QB  1 36 TYR QE  11.350 . 11.850 7.019 6.646 7.226 . 0 0 "[    .    1    .    2]" 2 
        91 1 36 TYR QE  1 50 HIS HA   8.420 .  8.920 3.282 2.743 4.485 . 0 0 "[    .    1    .    2]" 2 
        92 1 36 TYR HE2 1 54 LYS HA   5.500 .  6.000 4.343 4.004 4.534 . 0 0 "[    .    1    .    2]" 2 
        93 1 51 ILE MG  1 52 HIS HD2  6.610 .  7.110 5.320 5.271 5.453 . 0 0 "[    .    1    .    2]" 2 
        94 1 49 LYS QB  1 52 HIS HD2  5.050 .  5.550 4.541 4.525 4.553 . 0 0 "[    .    1    .    2]" 2 
        95 1 16 SER QB  1 52 HIS HD2  6.170 .  6.670 3.784 3.643 3.928 . 0 0 "[    .    1    .    2]" 2 
        96 1 52 HIS HA  1 52 HIS HD2  3.500 .  4.000 2.530 2.443 2.591 . 0 0 "[    .    1    .    2]" 2 
        97 1 22 PHE HZ  1 52 HIS HD2  7.500 .  8.000 5.907 5.630 6.210 . 0 0 "[    .    1    .    2]" 2 
        98 1 52 HIS H   1 52 HIS HD2  5.500 .  6.000 4.025 3.957 4.065 . 0 0 "[    .    1    .    2]" 2 
        99 1 49 LYS H   1 52 HIS HD2  5.500 .  6.000 5.003 4.975 5.108 . 0 0 "[    .    1    .    2]" 2 
       100 1 50 HIS HD2 1 54 LYS QG   6.930 .  7.430 5.984 5.365 6.253 . 0 0 "[    .    1    .    2]" 2 
       101 1 50 HIS HD2 1 53 VAL HB   5.500 .  6.000 4.631 4.398 4.883 . 0 0 "[    .    1    .    2]" 2 
       102 1 50 HIS HA  1 50 HIS HD2  3.500 .  4.000 2.564 2.504 2.624 . 0 0 "[    .    1    .    2]" 2 
       103 1 50 HIS HD2 1 54 LYS HA   4.500 .  5.000 4.135 3.616 4.481 . 0 0 "[    .    1    .    2]" 2 
       104 1 51 ILE MD  1 52 HIS HE1  5.400 .  5.900 3.608 3.550 3.710 . 0 0 "[    .    1    .    2]" 2 
       105 1 48 VAL QG  1 52 HIS HE1  7.410 .  7.910 4.130 3.962 4.392 . 0 0 "[    .    1    .    2]" 2 
       106 1 49 LYS QG  1 52 HIS HE1  6.170 .  6.670 2.875 2.758 2.988 . 0 0 "[    .    1    .    2]" 2 
       107 1 49 LYS QD  1 52 HIS HE1  5.670 .  6.170 2.786 2.708 2.889 . 0 0 "[    .    1    .    2]" 2 
       108 1 49 LYS QB  1 52 HIS HE1  6.170 .  6.670 3.150 3.025 3.245 . 0 0 "[    .    1    .    2]" 2 
       109 1 58 LYS QE  1 72 HIS HE1  6.930 .  7.430 5.473 3.130 6.207 . 0 0 "[    .    1    .    2]" 2 
       110 1 52 HIS HE1 1 53 VAL H    7.500 .  8.000 7.546 7.471 7.597 . 0 0 "[    .    1    .    2]" 2 
       111 1 50 HIS HE1 1 61 ASN QD   6.170 .  6.670 5.155 4.683 5.538 . 0 0 "[    .    1    .    2]" 2 
       112 1 50 HIS HE1 1 54 LYS HA   7.500 .  8.000 7.450 7.108 7.576 . 0 0 "[    .    1    .    2]" 2 
       113 1 25 ALA MB  1 41 TYR QD   7.410 .  7.910 5.077 4.903 5.150 . 0 0 "[    .    1    .    2]" 2 
       114 1 12 GLN QG  1 41 TYR QD   6.360 .  6.860 4.307 4.243 4.378 . 0 0 "[    .    1    .    2]" 2 
       115 1 24 PRO QB  1 41 TYR HD2  5.050 .  5.550 4.525 4.463 4.548 . 0 0 "[    .    1    .    2]" 2 
       116 1 41 TYR QD  1 42 ASP H    5.050 .  5.550 4.188 4.081 4.270 . 0 0 "[    .    1    .    2]" 2 
       117 1 50 HIS HD2 1 51 ILE MG   6.490 .  6.990 4.507 4.430 4.530 . 0 0 "[    .    1    .    2]" 2 
       118 1 24 PRO QG  1 41 TYR HD2  5.050 .  5.550 3.584 3.452 3.701 . 0 0 "[    .    1    .    2]" 2 
       119 1 41 TYR HD2 1 42 ASP QB   6.170 .  6.670 5.458 5.298 5.512 . 0 0 "[    .    1    .    2]" 2 
       120 1 24 PRO QD  1 41 TYR HD2  6.170 .  6.670 5.082 4.955 5.274 . 0 0 "[    .    1    .    2]" 2 
    stop_

save_


save_distance_constraint_statistics_3
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            3
    _Distance_constraint_stats_list.Constraint_count              1097
    _Distance_constraint_stats_list.Viol_count                    69
    _Distance_constraint_stats_list.Viol_total                    150.530
    _Distance_constraint_stats_list.Viol_max                      0.148
    _Distance_constraint_stats_list.Viol_rms                      0.0062
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0003
    _Distance_constraint_stats_list.Viol_average_violations_only  0.1091
    _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  5 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  6 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  7 PHE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  8 GLN 0.780 0.141 20 0 "[    .    1    .    2]" 
       1  9 ILE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 10 ASN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 11 GLU 0.780 0.141 20 0 "[    .    1    .    2]" 
       1 12 GLN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 13 VAL 6.682 0.148  9 0 "[    .    1    .    2]" 
       1 14 LEU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 15 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 16 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 17 TRP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 18 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 19 ASP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 20 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 21 ARG 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 22 PHE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 23 TYR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 24 PRO 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 25 ALA 2.602 0.148  9 0 "[    .    1    .    2]" 
       1 26 LYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 27 VAL 6.682 0.148  9 0 "[    .    1    .    2]" 
       1 28 THR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 29 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 30 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 31 ASN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 32 LYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 33 ASP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 34 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 35 THR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 36 TYR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 37 THR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 38 VAL 2.222 0.123  9 0 "[    .    1    .    2]" 
       1 39 LYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 40 PHE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 41 TYR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 42 ASP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 43 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 44 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 45 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 46 GLN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 47 THR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 48 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 49 LYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 50 HIS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 51 ILE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 52 HIS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 53 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 54 LYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 55 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 56 PHE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 57 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 58 LYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 59 ASP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 60 GLN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 61 ASN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 62 ILE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 63 VAL 0.064 0.064 16 0 "[    .    1    .    2]" 
       1 64 GLY 0.064 0.064 16 0 "[    .    1    .    2]" 
       1 65 ASN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 66 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 67 ARG 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 68 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 69 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 70 ARG 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 71 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 72 HIS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 73 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 74 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 75 HIS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 76 LEU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 78 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 79 LYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 80 LYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 81 GLY 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  7 PHE HA  1  8 GLN H    3.500 .  4.000 2.427 2.160 2.961     .  0 0 "[    .    1    .    2]" 3 
          2 1  7 PHE HA  1  8 GLN HA   4.500 .  5.000 4.509 4.344 4.602     .  0 0 "[    .    1    .    2]" 3 
          3 1  7 PHE HA  1  8 GLN QG   6.930 .  7.430 2.337 2.153 2.815     .  0 0 "[    .    1    .    2]" 3 
          4 1  7 PHE HA  1 12 GLN QB   6.170 .  6.670 4.986 4.036 5.536     .  0 0 "[    .    1    .    2]" 3 
          5 1  6 GLU QB  1  7 PHE HA       . .  6.670 4.746 4.412 5.204     .  0 0 "[    .    1    .    2]" 3 
          6 1  7 PHE HA  1 11 GLU QB   6.170 .  6.670 2.680 2.306 2.945     .  0 0 "[    .    1    .    2]" 3 
          7 1  7 PHE QB  1 13 VAL QG       . .  7.310 2.623 2.350 2.832     .  0 0 "[    .    1    .    2]" 3 
          8 1  7 PHE QB  1 27 VAL QG   6.810 .  7.310 3.649 3.416 3.900     .  0 0 "[    .    1    .    2]" 3 
          9 1  7 PHE QB  1 11 GLU QG   6.930 .  7.430 3.673 2.842 4.391     .  0 0 "[    .    1    .    2]" 3 
         10 1  7 PHE QB  1  8 GLN H    5.050 .  5.550 3.589 3.035 3.994     .  0 0 "[    .    1    .    2]" 3 
         11 1  7 PHE QB  1 11 GLU H        . .  7.430 4.698 3.751 5.189     .  0 0 "[    .    1    .    2]" 3 
         12 1  6 GLU QB  1  7 PHE QB       . .  8.280 5.056 4.753 5.492     .  0 0 "[    .    1    .    2]" 3 
         13 1  7 PHE QB  1 27 VAL QG   8.900 .  9.400 3.461 2.874 3.721     .  0 0 "[    .    1    .    2]" 3 
         14 1  7 PHE QB  1 63 VAL QG   8.320 .  8.820 3.160 2.539 3.512     .  0 0 "[    .    1    .    2]" 3 
         15 1  7 PHE QB  1  8 GLN QG   8.320 .  8.820 3.521 2.823 4.088     .  0 0 "[    .    1    .    2]" 3 
         16 1  6 GLU HA  1  7 PHE QB   6.170 .  6.670 4.419 4.258 4.575     .  0 0 "[    .    1    .    2]" 3 
         17 1  7 PHE QB  1  8 GLN HA       . .  5.550 4.359 4.182 4.519     .  0 0 "[    .    1    .    2]" 3 
         18 1  8 GLN HA  1 10 ASN H    7.500 .  8.000 6.256 6.079 6.313     .  0 0 "[    .    1    .    2]" 3 
         19 1  8 GLN HA  1 12 GLN H    7.500 .  8.000 7.557 7.507 7.611     .  0 0 "[    .    1    .    2]" 3 
         20 1  8 GLN HA  1  9 ILE H    3.500 .  4.000 2.725 2.695 2.768     .  0 0 "[    .    1    .    2]" 3 
         21 1  8 GLN HA  1 11 GLU H    6.170 .  6.670 5.063 4.915 5.161     .  0 0 "[    .    1    .    2]" 3 
         22 1  8 GLN HA  1 36 TYR HH   5.500 .  6.000 5.553 5.457 5.604     .  0 0 "[    .    1    .    2]" 3 
         23 1  8 GLN HA  1 11 GLU HA   7.500 .  8.000 7.263 7.110 7.358     .  0 0 "[    .    1    .    2]" 3 
         24 1  8 GLN HA  1 27 VAL HA   7.500 .  8.000 7.299 6.558 7.527     .  0 0 "[    .    1    .    2]" 3 
         25 1  8 GLN HA  1  9 ILE HA   5.500 .  6.000 4.466 4.337 4.512     .  0 0 "[    .    1    .    2]" 3 
         26 1  8 GLN HA  1 11 GLU QB   5.670 .  6.170 3.784 2.975 4.172     .  0 0 "[    .    1    .    2]" 3 
         27 1  8 GLN HA  1  9 ILE HB   5.500 .  6.000 5.218 5.167 5.312     .  0 0 "[    .    1    .    2]" 3 
         28 1  8 GLN HA  1 27 VAL QG   7.410 .  7.910 3.401 2.790 3.608     .  0 0 "[    .    1    .    2]" 3 
         29 1  8 GLN HA  1 10 ASN QB   8.420 .  8.920 7.165 7.086 7.247     .  0 0 "[    .    1    .    2]" 3 
         30 1  8 GLN QB  1  9 ILE H    5.050 .  5.550 2.025 1.940 2.097     .  0 0 "[    .    1    .    2]" 3 
         31 1  8 GLN QB  1 11 GLU H    6.170 .  6.670 4.654 4.273 5.067     .  0 0 "[    .    1    .    2]" 3 
         32 1  8 GLN QG  1 30 VAL QG  12.590 . 13.090 3.116 2.042 4.219     .  0 0 "[    .    1    .    2]" 3 
         33 1  8 GLN QG  1 63 VAL QG   9.340 .  9.840 3.157 2.048 4.344     .  0 0 "[    .    1    .    2]" 3 
         34 1  8 GLN QG  1 63 VAL HB   6.930 .  7.430 4.665 2.822 6.208     .  0 0 "[    .    1    .    2]" 3 
         35 1  7 PHE QB  1  8 GLN QG   7.140 .  7.640 4.830 4.064 5.412     .  0 0 "[    .    1    .    2]" 3 
         36 1  6 GLU QB  1  8 GLN QG   8.180 .  8.680 3.629 2.137 4.476     .  0 0 "[    .    1    .    2]" 3 
         37 1  8 GLN QG  1  9 ILE HA   9.450 .  9.950 6.080 5.735 6.264     .  0 0 "[    .    1    .    2]" 3 
         38 1  7 PHE HA  1  8 GLN QG   5.670 .  6.170 4.745 4.216 5.201     .  0 0 "[    .    1    .    2]" 3 
         39 1  8 GLN QG  1 11 GLU H    8.320 .  8.820 5.822 5.107 6.152     .  0 0 "[    .    1    .    2]" 3 
         40 1  8 GLN QG  1  9 ILE H    6.810 .  7.310 3.847 3.524 4.158     .  0 0 "[    .    1    .    2]" 3 
         41 1  8 GLN H   1  8 GLN QG   4.410 .  4.910 3.296 2.332 3.940     .  0 0 "[    .    1    .    2]" 3 
         42 1  9 ILE HA  1 27 VAL QG       . .  6.570 2.159 2.088 2.320     .  0 0 "[    .    1    .    2]" 3 
         43 1  9 ILE HA  1 26 LYS QG   6.930 .  7.430 5.217 4.866 6.133     .  0 0 "[    .    1    .    2]" 3 
         44 1  9 ILE HA  1 11 GLU QB   6.170 .  6.670 4.818 4.586 4.921     .  0 0 "[    .    1    .    2]" 3 
         45 1  7 PHE QB  1  9 ILE HA   8.420 .  8.920 6.879 6.468 7.355     .  0 0 "[    .    1    .    2]" 3 
         46 1  9 ILE HA  1 27 VAL HB   4.500 .  5.000 2.141 2.092 2.188     .  0 0 "[    .    1    .    2]" 3 
         47 1  9 ILE HA  1 10 ASN QB   6.170 .  6.670 4.703 4.546 4.742     .  0 0 "[    .    1    .    2]" 3 
         48 1  9 ILE HA  1 10 ASN HA   5.050 .  5.550 4.250 4.222 4.274     .  0 0 "[    .    1    .    2]" 3 
         49 1  9 ILE HA  1 29 ALA HA   5.500 .  6.000 4.667 4.526 4.831     .  0 0 "[    .    1    .    2]" 3 
         50 1  8 GLN HA  1  9 ILE HA   6.170 .  6.670 3.847 3.600 3.980     .  0 0 "[    .    1    .    2]" 3 
         51 1  9 ILE HA  1 26 LYS HA   8.420 .  8.920 5.907 5.709 6.084     .  0 0 "[    .    1    .    2]" 3 
         52 1  9 ILE HA  1 36 TYR HD1  8.420 .  8.920 6.240 6.063 6.479     .  0 0 "[    .    1    .    2]" 3 
         53 1  9 ILE HA  1 11 GLU H    4.500 .  5.000 3.355 3.307 3.415     .  0 0 "[    .    1    .    2]" 3 
         54 1  9 ILE HA  1 27 VAL H    5.500 .  6.000 4.422 4.176 4.610     .  0 0 "[    .    1    .    2]" 3 
         55 1  9 ILE HA  1 10 ASN H    3.500 .  4.000 2.214 2.173 2.232     .  0 0 "[    .    1    .    2]" 3 
         56 1  9 ILE HA  1 28 THR H    5.500 .  6.000 4.747 4.522 4.891     .  0 0 "[    .    1    .    2]" 3 
         57 1  9 ILE HA  1 29 ALA H    5.500 .  6.000 4.971 4.873 5.085     .  0 0 "[    .    1    .    2]" 3 
         58 1  8 GLN QB  1  9 ILE HA   6.170 .  6.670 4.348 4.282 4.482     .  0 0 "[    .    1    .    2]" 3 
         59 1  9 ILE HB  1 27 VAL QG   7.410 .  7.910 4.185 4.156 4.240     .  0 0 "[    .    1    .    2]" 3 
         60 1  8 GLN QB  1  9 ILE HB   6.170 .  6.670 3.747 3.617 3.927     .  0 0 "[    .    1    .    2]" 3 
         61 1  8 GLN QG  1  9 ILE HB   7.190 .  7.690 4.740 4.618 4.834     .  0 0 "[    .    1    .    2]" 3 
         62 1  9 ILE HB  1 10 ASN HA   6.170 .  6.670 5.560 5.546 5.573     .  0 0 "[    .    1    .    2]" 3 
         63 1  8 GLN HA  1  9 ILE HB   6.170 .  6.670 4.827 4.696 4.923     .  0 0 "[    .    1    .    2]" 3 
         64 1  9 ILE HB  1 11 GLU H    5.500 .  6.000 5.352 5.131 5.444     .  0 0 "[    .    1    .    2]" 3 
         65 1  9 ILE H   1  9 ILE HB   3.500 .  4.000 2.503 2.474 2.580     .  0 0 "[    .    1    .    2]" 3 
         66 1  9 ILE HB  1 10 ASN H    5.500 .  6.000 4.037 4.012 4.069     .  0 0 "[    .    1    .    2]" 3 
         67 1  9 ILE QG  1 10 ASN H    6.170 .  6.670 4.036 3.945 4.124     .  0 0 "[    .    1    .    2]" 3 
         68 1  9 ILE QG  1 30 VAL H    6.170 .  6.670 3.517 3.303 3.770     .  0 0 "[    .    1    .    2]" 3 
         69 1  8 GLN HA  1  9 ILE QG       . .  7.430 3.715 3.537 3.881     .  0 0 "[    .    1    .    2]" 3 
         70 1  9 ILE QG  1 29 ALA HA       . .  5.550 2.463 2.341 2.687     .  0 0 "[    .    1    .    2]" 3 
         71 1  9 ILE QG  1 29 ALA H    6.170 .  6.670 3.978 3.824 4.142     .  0 0 "[    .    1    .    2]" 3 
         72 1  9 ILE QG  1 10 ASN HA   9.450 .  9.950 5.342 5.174 5.437     .  0 0 "[    .    1    .    2]" 3 
         73 1  8 GLN QG  1  9 ILE QG   8.070 .  8.570 3.775 3.638 3.905     .  0 0 "[    .    1    .    2]" 3 
         74 1  9 ILE QG  1 29 ALA MB   7.410 .  7.910 4.023 3.910 4.211     .  0 0 "[    .    1    .    2]" 3 
         75 1  9 ILE MD  1 10 ASN H    6.610 .  7.110 4.947 4.850 5.030     .  0 0 "[    .    1    .    2]" 3 
         76 1  9 ILE MD  1 30 VAL H    5.400 .  5.900 2.944 2.688 3.248     .  0 0 "[    .    1    .    2]" 3 
         77 1  9 ILE H   1  9 ILE MD   5.400 .  5.900 3.592 3.526 3.686     .  0 0 "[    .    1    .    2]" 3 
         78 1  9 ILE MD  1 11 GLU H    9.010 .  9.510 6.484 6.362 6.558     .  0 0 "[    .    1    .    2]" 3 
         79 1  9 ILE MD  1 29 ALA H    6.610 .  7.110 4.661 4.595 4.781     .  0 0 "[    .    1    .    2]" 3 
         80 1  9 ILE MD  1 10 ASN QD   7.410 .  7.910 5.092 5.021 5.326     .  0 0 "[    .    1    .    2]" 3 
         81 1  8 GLN HA  1  9 ILE MD   7.410 .  7.910 4.483 4.306 4.622     .  0 0 "[    .    1    .    2]" 3 
         82 1  9 ILE MD  1 29 ALA HA   5.400 .  5.900 2.412 2.312 2.538     .  0 0 "[    .    1    .    2]" 3 
         83 1  9 ILE MD  1 10 ASN HA   7.410 .  7.910 5.481 5.377 5.530     .  0 0 "[    .    1    .    2]" 3 
         84 1  9 ILE MD  1 30 VAL HB   6.610 .  7.110 3.796 3.384 4.254     .  0 0 "[    .    1    .    2]" 3 
         85 1  9 ILE MD  1 29 ALA MB   6.490 .  6.990 3.355 3.258 3.506     .  0 0 "[    .    1    .    2]" 3 
         86 1  9 ILE MD  1 27 VAL QG   8.900 .  9.400 3.619 3.531 3.669     .  0 0 "[    .    1    .    2]" 3 
         87 1  9 ILE MG  1 10 ASN QB       . .  6.570 3.263 2.869 3.385     .  0 0 "[    .    1    .    2]" 3 
         88 1  9 ILE MG  1 10 ASN HA   6.070 .  6.570 3.535 3.478 3.577     .  0 0 "[    .    1    .    2]" 3 
         89 1  9 ILE MG  1 29 ALA HA   6.610 .  7.110 3.442 3.255 3.758     .  0 0 "[    .    1    .    2]" 3 
         90 1  9 ILE MG  1 28 THR HA   5.400 .  5.900 2.604 2.338 2.821     .  0 0 "[    .    1    .    2]" 3 
         91 1  9 ILE MG  1 10 ASN QD   7.410 .  7.910 2.758 2.701 2.848     .  0 0 "[    .    1    .    2]" 3 
         92 1  9 ILE MG  1 10 ASN H    5.400 .  5.900 2.392 2.326 2.473     .  0 0 "[    .    1    .    2]" 3 
         93 1 10 ASN QB  1 11 GLU H    6.170 .  6.670 3.870 3.649 3.933     .  0 0 "[    .    1    .    2]" 3 
         94 1  8 GLN HA  1 10 ASN QB   9.450 .  9.950 5.475 5.300 5.656     .  0 0 "[    .    1    .    2]" 3 
         95 1 10 ASN QB  1 11 GLU QG   7.410 .  7.910 5.044 4.732 5.203     .  0 0 "[    .    1    .    2]" 3 
         96 1  9 ILE HB  1 10 ASN QB   6.170 .  6.670 4.474 4.247 4.562     .  0 0 "[    .    1    .    2]" 3 
         97 1 10 ASN QB  1 26 LYS QD   7.780 .  8.280 4.370 3.016 5.058     .  0 0 "[    .    1    .    2]" 3 
         98 1 10 ASN QB  1 26 LYS QG   7.780 .  8.280 4.176 3.867 5.357     .  0 0 "[    .    1    .    2]" 3 
         99 1 10 ASN QB  1 11 GLU QB   6.930 .  7.430 4.288 4.117 4.422     .  0 0 "[    .    1    .    2]" 3 
        100 1 10 ASN QB  1 26 LYS QE   8.730 .  9.230 3.419 2.603 5.066     .  0 0 "[    .    1    .    2]" 3 
        101 1 10 ASN QB  1 12 GLN H    8.420 .  8.920 6.684 6.483 6.791     .  0 0 "[    .    1    .    2]" 3 
        102 1 60 GLN HA  1 68 GLY H    7.500 .  8.000 5.693 5.110 7.195     .  0 0 "[    .    1    .    2]" 3 
        103 1 60 GLN HA  1 68 GLY QA   6.930 .  7.430 4.462 3.968 4.759     .  0 0 "[    .    1    .    2]" 3 
        104 1  9 ILE HA  1 10 ASN HA   4.500 .  5.000 4.304 4.279 4.324     .  0 0 "[    .    1    .    2]" 3 
        105 1 10 ASN HA  1 26 LYS QE   6.930 .  7.430 2.819 2.232 4.165     .  0 0 "[    .    1    .    2]" 3 
        106 1 59 ASP QB  1 60 GLN HA   6.930 .  7.430 3.828 3.753 3.938     .  0 0 "[    .    1    .    2]" 3 
        107 1 10 ASN HA  1 11 GLU QG   6.610 .  7.110 4.241 3.866 4.558     .  0 0 "[    .    1    .    2]" 3 
        108 1 10 ASN HA  1 26 LYS QB   5.670 .  6.170 4.470 3.077 4.863     .  0 0 "[    .    1    .    2]" 3 
        109 1 10 ASN HA  1 26 LYS QG   5.670 .  6.170 2.598 2.306 3.694     .  0 0 "[    .    1    .    2]" 3 
        110 1  9 ILE QG  1 10 ASN HA   7.190 .  7.690 4.382 4.097 4.619     .  0 0 "[    .    1    .    2]" 3 
        111 1  9 ILE MG  1 10 ASN HA   5.400 .  5.900 3.704 3.611 3.772     .  0 0 "[    .    1    .    2]" 3 
        112 1  8 GLN H   1 11 GLU HA   5.500 .  6.000 5.043 4.683 5.501     .  0 0 "[    .    1    .    2]" 3 
        113 1 11 GLU HA  1 12 GLN H    2.800 .  3.300 2.502 2.352 2.655     .  0 0 "[    .    1    .    2]" 3 
        114 1 10 ASN QB  1 11 GLU HA   6.170 .  6.670 4.514 4.316 4.594     .  0 0 "[    .    1    .    2]" 3 
        115 1 11 GLU HA  1 27 VAL QG   7.410 .  7.910 4.924 4.766 5.102     .  0 0 "[    .    1    .    2]" 3 
        116 1 10 ASN H   1 11 GLU QB   6.170 .  6.670 4.824 4.737 4.916     .  0 0 "[    .    1    .    2]" 3 
        117 1  8 GLN H   1 11 GLU QB   5.050 .  5.550 2.021 1.659 2.510 0.141 20 0 "[    .    1    .    2]" 3 
        118 1 11 GLU QB  1 12 GLN H        . .  5.550 3.227 3.089 3.311     .  0 0 "[    .    1    .    2]" 3 
        119 1 11 GLU QB  1 27 VAL H    6.170 .  6.670 4.681 4.408 4.832     .  0 0 "[    .    1    .    2]" 3 
        120 1  7 PHE QB  1 11 GLU QB   6.930 .  7.430 4.012 3.333 4.571     .  0 0 "[    .    1    .    2]" 3 
        121 1 11 GLU QB  1 12 GLN QB   9.450 .  9.950 4.856 4.619 5.237     .  0 0 "[    .    1    .    2]" 3 
        122 1 11 GLU QB  1 27 VAL QG   8.320 .  8.820 3.787 3.301 4.000     .  0 0 "[    .    1    .    2]" 3 
        123 1 11 GLU QB  1 13 VAL QG   8.320 .  8.820 4.417 3.882 4.597     .  0 0 "[    .    1    .    2]" 3 
        124 1  8 GLN H   1 11 GLU QG   6.170 .  6.670 3.123 2.780 3.839     .  0 0 "[    .    1    .    2]" 3 
        125 1 11 GLU QG  1 12 GLN H    5.050 .  5.550 2.028 1.844 2.179     .  0 0 "[    .    1    .    2]" 3 
        126 1  7 PHE HD1 1 11 GLU QG   6.170 .  6.670 2.679 2.151 3.413     .  0 0 "[    .    1    .    2]" 3 
        127 1  7 PHE HA  1 11 GLU QG   6.170 .  6.670 2.343 2.159 2.828     .  0 0 "[    .    1    .    2]" 3 
        128 1  8 GLN HA  1 11 GLU QG   6.930 .  7.430 5.068 4.949 5.284     .  0 0 "[    .    1    .    2]" 3 
        129 1  8 GLN QB  1 11 GLU QG   7.780 .  8.280 3.272 3.003 3.632     .  0 0 "[    .    1    .    2]" 3 
        130 1 11 GLU QG  1 12 GLN QB   6.930 .  7.430 3.352 3.042 3.915     .  0 0 "[    .    1    .    2]" 3 
        131 1 11 GLU QG  1 27 VAL QG   8.320 .  8.820 4.576 4.395 4.702     .  0 0 "[    .    1    .    2]" 3 
        132 1 11 GLU QG  1 13 VAL QG   6.810 .  7.310 4.514 4.501 4.526     .  0 0 "[    .    1    .    2]" 3 
        133 1 12 GLN QB  1 13 VAL H    6.170 .  6.670 2.774 2.481 3.015     .  0 0 "[    .    1    .    2]" 3 
        134 1 12 GLN QB  1 56 PHE HE1  8.420 .  8.920 5.485 5.109 6.086     .  0 0 "[    .    1    .    2]" 3 
        135 1  7 PHE HE1 1 12 GLN QB       . .  7.430 3.332 2.989 3.836     .  0 0 "[    .    1    .    2]" 3 
        136 1 12 GLN QB  1 26 LYS HA   6.170 .  6.670 4.644 4.080 4.946     .  0 0 "[    .    1    .    2]" 3 
        137 1 11 GLU HA  1 12 GLN QB   6.170 .  6.670 4.609 4.374 4.937     .  0 0 "[    .    1    .    2]" 3 
        138 1 12 GLN QB  1 55 ALA MB  10.110 . 10.610 5.822 5.420 6.174     .  0 0 "[    .    1    .    2]" 3 
        139 1 12 GLN QG  1 13 VAL H        . .  5.550 3.882 3.603 4.493     .  0 0 "[    .    1    .    2]" 3 
        140 1 12 GLN QG  1 56 PHE HE1  8.420 .  8.920 6.221 5.581 6.857     .  0 0 "[    .    1    .    2]" 3 
        141 1  7 PHE HE1 1 12 GLN QG   7.780 .  8.280 4.690 3.935 4.975     .  0 0 "[    .    1    .    2]" 3 
        142 1 12 GLN QG  1 26 LYS HA   6.170 .  6.670 4.292 3.774 5.247     .  0 0 "[    .    1    .    2]" 3 
        143 1 11 GLU HA  1 12 GLN QG   6.170 .  6.670 4.021 3.574 4.970     .  0 0 "[    .    1    .    2]" 3 
        144 1 12 GLN QG  1 56 PHE QB   6.930 .  7.430 4.432 3.747 4.846     .  0 0 "[    .    1    .    2]" 3 
        145 1 12 GLN QG  1 26 LYS QB       . .  8.280 4.676 3.215 5.815     .  0 0 "[    .    1    .    2]" 3 
        146 1 12 GLN QG  1 26 LYS QG   8.730 .  9.230 5.095 4.363 5.777     .  0 0 "[    .    1    .    2]" 3 
        147 1 13 VAL QG  1 54 LYS H    7.410 .  7.910 3.840 3.651 3.941     .  0 0 "[    .    1    .    2]" 3 
        148 1 13 VAL QG  1 25 ALA H        . .  6.570 3.293 3.209 3.410     .  0 0 "[    .    1    .    2]" 3 
        149 1 12 GLN H   1 13 VAL QG       . .  7.310 3.020 2.932 3.100     .  0 0 "[    .    1    .    2]" 3 
        150 1 13 VAL QG  1 27 VAL H    7.410 .  7.910 2.821 2.613 3.099     .  0 0 "[    .    1    .    2]" 3 
        151 1 11 GLU H   1 13 VAL QG   7.410 .  7.910 4.588 4.479 4.707     .  0 0 "[    .    1    .    2]" 3 
        152 1 13 VAL QG  1 36 TYR HH   6.070 .  6.570 3.011 2.641 3.226     .  0 0 "[    .    1    .    2]" 3 
        153 1  7 PHE QD  1 13 VAL QG   7.640 .  8.140 3.854 3.598 4.065     .  0 0 "[    .    1    .    2]" 3 
        154 1 13 VAL QG  1 26 LYS HA       . .  7.310 3.163 2.484 3.494     .  0 0 "[    .    1    .    2]" 3 
        155 1 13 VAL QG  1 14 LEU HA       . .  7.310 3.820 3.766 3.903     .  0 0 "[    .    1    .    2]" 3 
        156 1 13 VAL QG  1 55 ALA HA       . .  6.570 2.232 2.083 2.371     .  0 0 "[    .    1    .    2]" 3 
        157 1 11 GLU HA  1 13 VAL QG   7.410 .  7.910 5.420 5.309 5.539     .  0 0 "[    .    1    .    2]" 3 
        158 1 13 VAL QG  1 27 VAL HA   7.410 .  7.910 2.977 2.841 3.069     .  0 0 "[    .    1    .    2]" 3 
        159 1 13 VAL QG  1 36 TYR QB  10.490 . 10.990 3.967 3.784 4.122     .  0 0 "[    .    1    .    2]" 3 
        160 1 13 VAL QG  1 53 VAL HB   7.410 .  7.910 4.417 4.242 4.571     .  0 0 "[    .    1    .    2]" 3 
        161 1 13 VAL QG  1 55 ALA MB       . .  7.780 3.617 3.457 3.724     .  0 0 "[    .    1    .    2]" 3 
        162 1 13 VAL QG  1 14 LEU QB  10.880 . 11.380 2.799 2.654 2.965     .  0 0 "[    .    1    .    2]" 3 
        163 1 13 VAL QG  1 27 VAL QG       . .  6.860 1.707 1.692 1.725 0.108  9 0 "[    .    1    .    2]" 3 
        164 1 13 VAL QG  1 38 VAL QG       . .  6.860 2.065 2.043 2.088     .  0 0 "[    .    1    .    2]" 3 
        165 1 13 VAL QG  1 53 VAL QG   9.990 . 10.490 2.270 2.120 2.375     .  0 0 "[    .    1    .    2]" 3 
        166 1 13 VAL QG  1 28 THR H    7.410 .  7.910 4.657 4.525 4.766     .  0 0 "[    .    1    .    2]" 3 
        167 1 13 VAL QG  1 15 ALA H    7.410 .  7.910 4.270 4.136 4.379     .  0 0 "[    .    1    .    2]" 3 
        168 1 13 VAL QG  1 26 LYS H    8.320 .  8.820 3.999 3.778 4.281     .  0 0 "[    .    1    .    2]" 3 
        169 1  7 PHE HD2 1 13 VAL QG   7.410 .  7.910 5.045 4.625 5.458     .  0 0 "[    .    1    .    2]" 3 
        170 1 13 VAL QG  1 15 ALA HA   7.410 .  7.910 4.496 4.387 4.647     .  0 0 "[    .    1    .    2]" 3 
        171 1 12 GLN QG  1 13 VAL QG   8.320 .  8.820 4.809 4.591 5.141     .  0 0 "[    .    1    .    2]" 3 
        172 1 13 VAL QG  1 38 VAL HB   6.070 .  6.570 3.345 3.221 3.494     .  0 0 "[    .    1    .    2]" 3 
        173 1 13 VAL QG  1 15 ALA MB   5.670 .  6.170 2.830 2.676 3.012     .  0 0 "[    .    1    .    2]" 3 
        174 1 13 VAL QG  1 54 LYS QG  10.490 . 10.990 3.430 3.143 3.701     .  0 0 "[    .    1    .    2]" 3 
        175 1 13 VAL QG  1 30 VAL MG2 10.690 . 11.190 3.272 3.076 3.470     .  0 0 "[    .    1    .    2]" 3 
        176 1 13 VAL QG  1 25 ALA MB   5.440 .  5.940 1.670 1.652 1.685 0.148  9 0 "[    .    1    .    2]" 3 
        177 1 13 VAL HA  1 54 LYS H    7.500 .  8.000 4.997 4.832 5.187     .  0 0 "[    .    1    .    2]" 3 
        178 1 13 VAL HA  1 14 LEU H    3.500 .  4.000 2.478 2.397 2.536     .  0 0 "[    .    1    .    2]" 3 
        179 1  7 PHE HE1 1 13 VAL HA   6.610 .  7.110 4.248 4.042 4.634     .  0 0 "[    .    1    .    2]" 3 
        180 1 13 VAL HA  1 55 ALA HA   4.500 .  5.000 2.891 2.617 3.071     .  0 0 "[    .    1    .    2]" 3 
        181 1 13 VAL HA  1 56 PHE HA   5.500 .  6.000 3.800 3.170 4.101     .  0 0 "[    .    1    .    2]" 3 
        182 1 13 VAL HA  1 56 PHE QB   5.050 .  5.550 3.446 2.916 3.726     .  0 0 "[    .    1    .    2]" 3 
        183 1 11 GLU QG  1 13 VAL HA   8.420 .  8.920 5.819 5.693 5.979     .  0 0 "[    .    1    .    2]" 3 
        184 1 13 VAL HA  1 14 LEU QB   7.190 .  7.690 3.899 3.760 3.961     .  0 0 "[    .    1    .    2]" 3 
        185 1 13 VAL HA  1 14 LEU HG   5.500 .  6.000 4.334 4.076 4.731     .  0 0 "[    .    1    .    2]" 3 
        186 1 13 VAL HA  1 14 LEU QD   7.470 .  7.970 3.812 3.739 3.887     .  0 0 "[    .    1    .    2]" 3 
        187 1 13 VAL HB  1 54 LYS H    5.500 .  6.000 3.364 3.237 3.468     .  0 0 "[    .    1    .    2]" 3 
        188 1 13 VAL HB  1 14 LEU H    3.500 .  4.000 2.285 2.137 2.485     .  0 0 "[    .    1    .    2]" 3 
        189 1 13 VAL HB  1 36 TYR QD   7.190 .  7.690 4.548 4.297 4.658     .  0 0 "[    .    1    .    2]" 3 
        190 1 13 VAL HB  1 14 LEU HA   6.170 .  6.670 3.989 3.899 4.043     .  0 0 "[    .    1    .    2]" 3 
        191 1 12 GLN HA  1 13 VAL HB   6.610 .  7.110 4.498 4.278 4.579     .  0 0 "[    .    1    .    2]" 3 
        192 1 13 VAL HB  1 14 LEU QB   7.190 .  7.690 4.161 4.072 4.270     .  0 0 "[    .    1    .    2]" 3 
        193 1 13 VAL HB  1 14 LEU QB   7.190 .  7.690 3.578 3.420 3.686     .  0 0 "[    .    1    .    2]" 3 
        194 1 13 VAL HB  1 14 LEU QD   9.140 .  9.640 3.398 3.342 3.452     .  0 0 "[    .    1    .    2]" 3 
        195 1 13 VAL HB  1 53 VAL QG   4.720 .  5.220 2.391 2.299 2.498     .  0 0 "[    .    1    .    2]" 3 
        196 1 13 VAL QG  1 14 LEU HA   8.320 .  8.820 3.996 3.908 4.086     .  0 0 "[    .    1    .    2]" 3 
        197 1 13 VAL HB  1 14 LEU HA   5.500 .  6.000 4.402 4.239 4.472     .  0 0 "[    .    1    .    2]" 3 
        198 1 14 LEU HA  1 22 PHE QB   6.170 .  6.670 3.795 3.598 4.007     .  0 0 "[    .    1    .    2]" 3 
        199 1 13 VAL HA  1 14 LEU HA   5.500 .  6.000 4.536 4.520 4.563     .  0 0 "[    .    1    .    2]" 3 
        200 1 14 LEU HA  1 22 PHE HD1  5.500 .  6.000 4.696 4.241 5.545     .  0 0 "[    .    1    .    2]" 3 
        201 1 14 LEU HA  1 23 TYR HD1  6.170 .  6.670 4.142 3.806 4.811     .  0 0 "[    .    1    .    2]" 3 
        202 1 14 LEU HA  1 25 ALA H    5.500 .  6.000 3.642 3.542 3.763     .  0 0 "[    .    1    .    2]" 3 
        203 1 14 LEU HA  1 15 ALA H    3.500 .  4.000 2.208 2.175 2.239     .  0 0 "[    .    1    .    2]" 3 
        204 1 14 LEU QB  1 15 ALA H    6.170 .  6.670 3.313 3.186 3.397     .  0 0 "[    .    1    .    2]" 3 
        205 1 14 LEU QB  1 54 LYS H    6.170 .  6.670 3.221 3.057 3.454     .  0 0 "[    .    1    .    2]" 3 
        206 1 14 LEU QB  1 22 PHE H    6.170 .  6.670 5.234 5.054 5.502     .  0 0 "[    .    1    .    2]" 3 
        207 1 14 LEU QB  1 22 PHE HE1  6.930 .  7.430 4.537 4.115 5.261     .  0 0 "[    .    1    .    2]" 3 
        208 1 14 LEU QB  1 56 PHE HD1  6.170 .  6.670 4.385 4.281 4.538     .  0 0 "[    .    1    .    2]" 3 
        209 1 14 LEU QB  1 22 PHE QB       . .  6.170 2.170 2.109 2.272     .  0 0 "[    .    1    .    2]" 3 
        210 1 13 VAL HB  1 14 LEU QB   6.170 .  6.670 4.332 4.236 4.497     .  0 0 "[    .    1    .    2]" 3 
        211 1 14 LEU QB  1 54 LYS QE   6.930 .  7.430 3.157 2.859 3.602     .  0 0 "[    .    1    .    2]" 3 
        212 1 14 LEU QB  1 53 VAL HB       . .  7.910 4.240 4.113 4.403     .  0 0 "[    .    1    .    2]" 3 
        213 1 14 LEU QB  1 53 VAL QG   8.320 .  8.820 4.228 4.158 4.347     .  0 0 "[    .    1    .    2]" 3 
        214 1 14 LEU QD  1 15 ALA H        . .  6.570 3.493 3.372 3.633     .  0 0 "[    .    1    .    2]" 3 
        215 1 14 LEU QD  1 54 LYS H    7.410 .  7.910 4.681 4.524 4.842     .  0 0 "[    .    1    .    2]" 3 
        216 1 14 LEU QD  1 22 PHE HD1  7.410 .  7.910 4.190 3.770 4.965     .  0 0 "[    .    1    .    2]" 3 
        217 1 14 LEU QD  1 22 PHE HA   8.320 .  8.820 3.773 3.526 3.994     .  0 0 "[    .    1    .    2]" 3 
        218 1 14 LEU QD  1 56 PHE HA   6.070 .  6.570 2.847 2.354 3.256     .  0 0 "[    .    1    .    2]" 3 
        219 1 14 LEU QD  1 22 PHE QB   6.810 .  7.310 2.271 2.010 2.549     .  0 0 "[    .    1    .    2]" 3 
        220 1 14 LEU QD  1 54 LYS QE   6.810 .  7.310 2.452 2.056 3.042     .  0 0 "[    .    1    .    2]" 3 
        221 1 14 LEU QD  1 24 PRO QB       . .  7.310 2.980 2.797 3.214     .  0 0 "[    .    1    .    2]" 3 
        222 1 14 LEU QD  1 24 PRO QG       . .  7.310 4.019 3.822 4.257     .  0 0 "[    .    1    .    2]" 3 
        223 1 14 LEU QD  1 54 LYS QB   8.320 .  8.820 4.611 4.289 4.848     .  0 0 "[    .    1    .    2]" 3 
        224 1 14 LEU QD  1 76 LEU QD   8.180 .  8.680 3.789 3.148 4.530     .  0 0 "[    .    1    .    2]" 3 
        225 1 14 LEU H   1 14 LEU HG   5.500 .  6.000 3.289 3.089 3.490     .  0 0 "[    .    1    .    2]" 3 
        226 1 14 LEU HG  1 56 PHE HD1  5.500 .  6.000 2.372 2.167 2.532     .  0 0 "[    .    1    .    2]" 3 
        227 1 14 LEU HG  1 56 PHE HA   4.500 .  5.000 2.183 2.062 2.388     .  0 0 "[    .    1    .    2]" 3 
        228 1 14 LEU HG  1 56 PHE QB   6.170 .  6.670 3.938 3.633 4.166     .  0 0 "[    .    1    .    2]" 3 
        229 1 14 LEU QD  1 23 TYR H    7.410 .  7.910 3.478 3.229 3.696     .  0 0 "[    .    1    .    2]" 3 
        230 1 14 LEU QD  1 25 ALA H    6.070 .  6.570 4.234 4.111 4.446     .  0 0 "[    .    1    .    2]" 3 
        231 1 14 LEU QD  1 56 PHE QB   8.320 .  8.820 4.066 3.761 4.293     .  0 0 "[    .    1    .    2]" 3 
        232 1 15 ALA HA  1 54 LYS H    5.500 .  6.000 3.720 3.639 3.834     .  0 0 "[    .    1    .    2]" 3 
        233 1 15 ALA HA  1 16 SER H    4.500 .  5.000 2.230 2.210 2.251     .  0 0 "[    .    1    .    2]" 3 
        234 1 15 ALA HA  1 53 VAL H    5.500 .  6.000 4.830 4.797 4.862     .  0 0 "[    .    1    .    2]" 3 
        235 1 15 ALA HA  1 22 PHE HE1  5.500 .  6.000 3.633 3.374 4.144     .  0 0 "[    .    1    .    2]" 3 
        236 1 15 ALA HA  1 53 VAL HA   4.500 .  5.000 2.300 2.250 2.358     .  0 0 "[    .    1    .    2]" 3 
        237 1 13 VAL HA  1 15 ALA HA   7.500 .  8.000 6.908 6.768 7.048     .  0 0 "[    .    1    .    2]" 3 
        238 1 15 ALA HA  1 16 SER HA   5.500 .  6.000 4.358 4.327 4.396     .  0 0 "[    .    1    .    2]" 3 
        239 1 15 ALA HA  1 16 SER QB   6.930 .  7.430 4.042 3.908 4.092     .  0 0 "[    .    1    .    2]" 3 
        240 1 15 ALA HA  1 16 SER QB   6.170 .  6.670 4.320 4.231 4.367     .  0 0 "[    .    1    .    2]" 3 
        241 1 13 VAL HB  1 15 ALA HA   5.500 .  6.000 4.891 4.697 5.029     .  0 0 "[    .    1    .    2]" 3 
        242 1 15 ALA HA  1 53 VAL HB   6.610 .  7.110 4.570 4.524 4.638     .  0 0 "[    .    1    .    2]" 3 
        243 1 15 ALA HA  1 54 LYS QD   8.420 .  8.920 6.875 6.724 6.984     .  0 0 "[    .    1    .    2]" 3 
        244 1 15 ALA HA  1 48 VAL QG   7.410 .  7.910 4.393 4.230 4.509     .  0 0 "[    .    1    .    2]" 3 
        245 1 15 ALA HA  1 53 VAL QG   6.070 .  6.570 2.307 2.257 2.372     .  0 0 "[    .    1    .    2]" 3 
        246 1 13 VAL QG  1 15 ALA HA   8.320 .  8.820 3.678 3.627 3.750     .  0 0 "[    .    1    .    2]" 3 
        247 1 15 ALA HA  1 52 HIS QB   6.170 .  6.670 4.418 4.284 4.512     .  0 0 "[    .    1    .    2]" 3 
        248 1 15 ALA MB  1 25 ALA H    6.610 .  7.110 4.341 4.212 4.435     .  0 0 "[    .    1    .    2]" 3 
        249 1 14 LEU H   1 15 ALA MB   7.410 .  7.910 4.164 4.005 4.357     .  0 0 "[    .    1    .    2]" 3 
        250 1 15 ALA MB  1 16 SER H    5.400 .  5.900 2.967 2.890 3.050     .  0 0 "[    .    1    .    2]" 3 
        251 1 15 ALA MB  1 40 PHE HZ   5.400 .  5.900 2.781 2.325 3.290     .  0 0 "[    .    1    .    2]" 3 
        252 1 15 ALA MB  1 22 PHE HD1  6.610 .  7.110 4.267 4.136 4.549     .  0 0 "[    .    1    .    2]" 3 
        253 1 15 ALA MB  1 17 TRP HA   7.410 .  7.910 4.436 4.173 4.655     .  0 0 "[    .    1    .    2]" 3 
        254 1 14 LEU HA  1 15 ALA MB   6.070 .  6.570 3.286 3.243 3.356     .  0 0 "[    .    1    .    2]" 3 
        255 1 15 ALA MB  1 22 PHE HA   7.410 .  7.910 4.136 4.085 4.182     .  0 0 "[    .    1    .    2]" 3 
        256 1 15 ALA MB  1 36 TYR QB  10.820 . 11.320 4.345 4.178 4.686     .  0 0 "[    .    1    .    2]" 3 
        257 1 15 ALA MB  1 48 VAL QG   7.280 .  7.780 3.108 2.879 3.287     .  0 0 "[    .    1    .    2]" 3 
        258 1 15 ALA MB  1 25 ALA MB   5.050 .  5.550 2.262 2.165 2.353     .  0 0 "[    .    1    .    2]" 3 
        259 1 15 ALA MB  1 38 VAL QG       . .  6.170 1.958 1.913 2.034     .  0 0 "[    .    1    .    2]" 3 
        260 1 13 VAL QG  1 15 ALA MB   6.360 .  6.860 1.924 1.889 1.985     .  0 0 "[    .    1    .    2]" 3 
        261 1 15 ALA MB  1 53 VAL QG       . .  6.170 2.044 1.998 2.085     .  0 0 "[    .    1    .    2]" 3 
        262 1 15 ALA MB  1 38 VAL HB       . .  5.900 3.331 3.203 3.416     .  0 0 "[    .    1    .    2]" 3 
        263 1 13 VAL HB  1 15 ALA MB   7.930 .  8.430 3.773 3.537 3.934     .  0 0 "[    .    1    .    2]" 3 
        264 1 15 ALA MB  1 53 VAL HB   6.610 .  7.110 4.512 4.444 4.575     .  0 0 "[    .    1    .    2]" 3 
        265 1 15 ALA MB  1 54 LYS H    6.610 .  7.110 4.360 4.253 4.456     .  0 0 "[    .    1    .    2]" 3 
        266 1 16 SER HA  1 23 TYR H    4.500 .  5.000 3.731 3.489 3.925     .  0 0 "[    .    1    .    2]" 3 
        267 1 16 SER HA  1 17 TRP H    3.500 .  4.000 2.141 2.095 2.196     .  0 0 "[    .    1    .    2]" 3 
        268 1 16 SER HA  1 22 PHE H    5.500 .  6.000 3.481 3.240 3.936     .  0 0 "[    .    1    .    2]" 3 
        269 1 16 SER HA  1 20 SER H    6.170 .  6.670 4.241 3.634 4.436     .  0 0 "[    .    1    .    2]" 3 
        270 1 16 SER HA  1 17 TRP HE3  6.170 .  6.670 5.185 5.000 5.409     .  0 0 "[    .    1    .    2]" 3 
        271 1 16 SER HA  1 22 PHE HE1  6.170 .  6.670 4.008 3.708 4.222     .  0 0 "[    .    1    .    2]" 3 
        272 1 16 SER HA  1 23 TYR HD1  5.500 .  6.000 3.969 3.789 4.122     .  0 0 "[    .    1    .    2]" 3 
        273 1 16 SER HA  1 22 PHE HD1  5.500 .  6.000 3.206 2.468 3.658     .  0 0 "[    .    1    .    2]" 3 
        274 1 16 SER HA  1 52 HIS HA   7.500 .  8.000 5.425 5.277 5.570     .  0 0 "[    .    1    .    2]" 3 
        275 1 16 SER HA  1 52 HIS QB   6.170 .  6.670 4.986 4.896 5.127     .  0 0 "[    .    1    .    2]" 3 
        276 1 16 SER HA  1 17 TRP QB   6.170 .  6.670 4.010 3.818 4.137     .  0 0 "[    .    1    .    2]" 3 
        277 1 16 SER HA  1 22 PHE QB   6.170 .  6.670 4.369 4.250 4.459     .  0 0 "[    .    1    .    2]" 3 
        278 1 14 LEU QB  1 16 SER HA   7.410 .  7.910 4.034 3.846 4.324     .  0 0 "[    .    1    .    2]" 3 
        279 1 14 LEU QB  1 16 SER HA   7.190 .  7.690 4.308 4.274 4.339     .  0 0 "[    .    1    .    2]" 3 
        280 1 16 SER QB  1 17 TRP H    6.170 .  6.670 3.407 2.866 3.659     .  0 0 "[    .    1    .    2]" 3 
        281 1 16 SER QB  1 22 PHE H    8.420 .  8.920 4.622 4.148 5.261     .  0 0 "[    .    1    .    2]" 3 
        282 1 16 SER QB  1 21 ARG H        . .  7.430 4.446 3.671 4.719     .  0 0 "[    .    1    .    2]" 3 
        283 1 16 SER QB  1 53 VAL H    6.170 .  6.670 5.535 5.523 5.545     .  0 0 "[    .    1    .    2]" 3 
        284 1 16 SER QB  1 23 TYR HE1  8.420 .  8.920 6.364 6.164 6.684     .  0 0 "[    .    1    .    2]" 3 
        285 1 16 SER QB  1 22 PHE HZ   7.410 .  7.910 4.927 4.802 5.051     .  0 0 "[    .    1    .    2]" 3 
        286 1 16 SER QB  1 22 PHE HE1  6.170 .  6.670 3.965 3.378 4.298     .  0 0 "[    .    1    .    2]" 3 
        287 1 16 SER QB  1 22 PHE HD1  6.930 .  7.430 3.481 3.212 3.656     .  0 0 "[    .    1    .    2]" 3 
        288 1 16 SER QB  1 17 TRP HA   6.170 .  6.670 4.576 4.325 4.697     .  0 0 "[    .    1    .    2]" 3 
        289 1 16 SER QB  1 52 HIS HA   6.170 .  6.670 3.092 2.988 3.249     .  0 0 "[    .    1    .    2]" 3 
        290 1 16 SER QB  1 52 HIS QB       . .  6.170 2.268 2.156 2.434     .  0 0 "[    .    1    .    2]" 3 
        291 1 15 ALA MB  1 16 SER QB   7.410 .  7.910 4.356 4.230 4.434     .  0 0 "[    .    1    .    2]" 3 
        292 1 16 SER QB  1 48 VAL QG   8.320 .  8.820 3.838 3.573 4.061     .  0 0 "[    .    1    .    2]" 3 
        293 1 16 SER QB  1 53 VAL QG   8.320 .  8.820 4.153 4.001 4.254     .  0 0 "[    .    1    .    2]" 3 
        294 1 16 SER QB  1 48 VAL HB   6.170 .  6.670 4.829 4.656 5.099     .  0 0 "[    .    1    .    2]" 3 
        295 1 17 TRP QB  1 23 TYR HD1  5.050 .  5.550 2.116 2.032 2.227     .  0 0 "[    .    1    .    2]" 3 
        296 1 17 TRP QB  1 23 TYR H    6.170 .  6.670 4.080 3.906 4.223     .  0 0 "[    .    1    .    2]" 3 
        297 1 17 TRP HA  1 17 TRP HE3  5.050 .  5.550 4.689 4.682 4.710     .  0 0 "[    .    1    .    2]" 3 
        298 1 17 TRP HA  1 46 GLN QE   6.170 .  6.670 3.400 3.156 3.787     .  0 0 "[    .    1    .    2]" 3 
        299 1 17 TRP HA  1 18 SER H    5.500 .  6.000 2.355 2.300 2.453     .  0 0 "[    .    1    .    2]" 3 
        300 1 16 SER HA  1 17 TRP HA   5.500 .  6.000 4.461 4.431 4.489     .  0 0 "[    .    1    .    2]" 3 
        301 1 17 TRP HA  1 18 SER HA   6.170 .  6.670 4.292 4.275 4.315     .  0 0 "[    .    1    .    2]" 3 
        302 1 17 TRP HA  1 46 GLN QG   6.170 .  6.670 5.382 5.035 5.545     .  0 0 "[    .    1    .    2]" 3 
        303 1 17 TRP HA  1 48 VAL QG  10.110 . 10.610 5.238 4.967 5.562     .  0 0 "[    .    1    .    2]" 3 
        304 1 18 SER QB  1 20 SER H    6.170 .  6.670 4.991 4.419 5.181     .  0 0 "[    .    1    .    2]" 3 
        305 1 18 SER QB  1 19 ASP H    6.170 .  6.670 3.039 2.930 3.137     .  0 0 "[    .    1    .    2]" 3 
        306 1 17 TRP HE3 1 18 SER QB  10.610 . 11.110 5.293 5.044 5.397     .  0 0 "[    .    1    .    2]" 3 
        307 1 17 TRP HZ2 1 18 SER QB  10.610 . 11.110 5.224 4.980 5.457     .  0 0 "[    .    1    .    2]" 3 
        308 1 17 TRP HD1 1 18 SER QB       . .  7.910 4.370 4.216 4.415     .  0 0 "[    .    1    .    2]" 3 
        309 1 17 TRP HZ3 1 18 SER QB   8.420 .  8.920 6.543 6.153 6.702     .  0 0 "[    .    1    .    2]" 3 
        310 1 17 TRP HA  1 18 SER QB   6.170 .  6.670 4.693 4.637 4.777     .  0 0 "[    .    1    .    2]" 3 
        311 1 18 SER QB  1 19 ASP HA   6.170 .  6.670 4.153 4.080 4.287     .  0 0 "[    .    1    .    2]" 3 
        312 1  9 ILE MD  1 29 ALA HA   5.300 .  5.800 2.324 2.233 2.438     .  0 0 "[    .    1    .    2]" 3 
        313 1  9 ILE HB  1 29 ALA HA   5.500 .  6.000 5.159 5.026 5.308     .  0 0 "[    .    1    .    2]" 3 
        314 1 29 ALA HA  1 30 VAL HB   4.500 .  5.000 4.558 4.540 4.574     .  0 0 "[    .    1    .    2]" 3 
        315 1 18 SER HA  1 19 ASP HA   6.070 .  6.570 3.865 3.816 3.928     .  0 0 "[    .    1    .    2]" 3 
        316 1 19 ASP HA  1 20 SER QB   6.070 .  6.570 4.072 4.040 4.110     .  0 0 "[    .    1    .    2]" 3 
        317 1 29 ALA HA  1 37 THR HA   7.500 .  8.000 6.891 6.830 6.956     .  0 0 "[    .    1    .    2]" 3 
        318 1 29 ALA HA  1 30 VAL H    3.500 .  4.000 2.359 2.316 2.382     .  0 0 "[    .    1    .    2]" 3 
        319 1 29 ALA HA  1 37 THR H    5.500 .  6.000 4.739 4.678 4.834     .  0 0 "[    .    1    .    2]" 3 
        320 1 28 THR H   1 29 ALA HA   5.500 .  6.000 4.581 4.521 4.648     .  0 0 "[    .    1    .    2]" 3 
        321 1 19 ASP QB  1 20 SER H        . .  7.430 2.583 2.410 3.283     .  0 0 "[    .    1    .    2]" 3 
        322 1 17 TRP HE3 1 19 ASP QB   6.930 .  7.430 1.926 1.861 1.984     .  0 0 "[    .    1    .    2]" 3 
        323 1 33 ASP QB  1 35 THR MG   7.410 .  7.910 3.612 3.490 3.663     .  0 0 "[    .    1    .    2]" 3 
        324 1 19 ASP HA  1 20 SER HA   6.170 .  6.670 4.213 4.019 4.268     .  0 0 "[    .    1    .    2]" 3 
        325 1 18 SER HA  1 19 ASP H    5.500 .  6.000 3.493 3.462 3.530     .  0 0 "[    .    1    .    2]" 3 
        326 1 21 ARG QB  1 22 PHE H    5.050 .  5.550 1.992 1.927 2.062     .  0 0 "[    .    1    .    2]" 3 
        327 1 21 ARG QB  1 22 PHE HE1  6.170 .  6.670 5.562 5.527 5.580     .  0 0 "[    .    1    .    2]" 3 
        328 1 66 ALA HA  1 67 ARG QD   5.050 .  5.550 4.436 2.899 4.617     .  0 0 "[    .    1    .    2]" 3 
        329 1 20 SER HA  1 21 ARG QD   5.050 .  5.550 4.423 4.234 4.647     .  0 0 "[    .    1    .    2]" 3 
        330 1 21 ARG QG  1 22 PHE H    6.170 .  6.670 2.396 2.173 2.938     .  0 0 "[    .    1    .    2]" 3 
        331 1 21 ARG QG  1 22 PHE HA   8.420 .  8.920 4.411 4.252 4.605     .  0 0 "[    .    1    .    2]" 3 
        332 1 21 ARG QG  1 75 HIS QB   5.670 .  6.170 4.483 4.257 4.537     .  0 0 "[    .    1    .    2]" 3 
        333 1 20 SER QB  1 21 ARG QG   6.930 .  7.430 4.306 4.011 5.318     .  0 0 "[    .    1    .    2]" 3 
        334 1 22 PHE QB  1 23 TYR H    6.170 .  6.670 2.954 2.692 3.069     .  0 0 "[    .    1    .    2]" 3 
        335 1 14 LEU HA  1 22 PHE QB   7.780 .  8.280 3.747 3.558 3.943     .  0 0 "[    .    1    .    2]" 3 
        336 1 14 LEU QB  1 22 PHE QB   7.780 .  8.280 2.132 2.051 2.253     .  0 0 "[    .    1    .    2]" 3 
        337 1 14 LEU HG  1 22 PHE QB   8.320 .  8.820 3.175 2.679 3.851     .  0 0 "[    .    1    .    2]" 3 
        338 1 58 LYS QE  1 59 ASP QB   7.780 .  8.280 4.853 3.659 5.844     .  0 0 "[    .    1    .    2]" 3 
        339 1 58 LYS QB  1 59 ASP QB   6.930 .  7.430 4.369 3.541 4.989     .  0 0 "[    .    1    .    2]" 3 
        340 1 58 LYS QG  1 59 ASP QB   8.730 .  9.230 3.742 2.784 5.082     .  0 0 "[    .    1    .    2]" 3 
        341 1 59 ASP QB  1 62 ILE MD   7.410 .  7.910 5.385 4.860 5.521     .  0 0 "[    .    1    .    2]" 3 
        342 1 59 ASP QB  1 60 GLN HA   6.170 .  6.670 4.630 4.498 4.681     .  0 0 "[    .    1    .    2]" 3 
        343 1 58 LYS HA  1 59 ASP QB   6.170 .  6.670 5.190 5.129 5.234     .  0 0 "[    .    1    .    2]" 3 
        344 1 23 TYR HA  1 40 PHE QD   7.500 .  8.000 5.999 5.771 6.173     .  0 0 "[    .    1    .    2]" 3 
        345 1 23 TYR HA  1 24 PRO QD   3.930 .  4.430 2.294 2.250 2.346     .  0 0 "[    .    1    .    2]" 3 
        346 1 23 TYR HA  1 24 PRO QG   6.170 .  6.670 4.231 4.193 4.285     .  0 0 "[    .    1    .    2]" 3 
        347 1 21 ARG QB  1 23 TYR HA   6.930 .  7.430 4.202 4.166 4.254     .  0 0 "[    .    1    .    2]" 3 
        348 1 15 ALA MB  1 23 TYR HA   9.010 .  9.510 6.103 6.020 6.164     .  0 0 "[    .    1    .    2]" 3 
        349 1 14 LEU QD  1 23 TYR HA   6.810 .  7.310 3.251 3.024 3.526     .  0 0 "[    .    1    .    2]" 3 
        350 1 15 ALA H   1 23 TYR HA   5.500 .  6.000 4.762 4.671 4.853     .  0 0 "[    .    1    .    2]" 3 
        351 1 23 TYR QB  1 40 PHE QD   6.810 .  7.310 3.331 3.054 3.571     .  0 0 "[    .    1    .    2]" 3 
        352 1 22 PHE HA  1 23 TYR QB   8.320 .  8.820 4.144 3.981 4.200     .  0 0 "[    .    1    .    2]" 3 
        353 1 16 SER HA  1 23 TYR QB   9.450 .  9.950 4.972 4.676 5.263     .  0 0 "[    .    1    .    2]" 3 
        354 1 22 PHE QB  1 23 TYR QB   8.730 .  9.230 4.895 4.707 4.976     .  0 0 "[    .    1    .    2]" 3 
        355 1 14 LEU QB  1 23 TYR QB   9.700 . 10.200 4.363 4.184 4.530     .  0 0 "[    .    1    .    2]" 3 
        356 1 14 LEU QD  1 23 TYR QB  12.920 . 13.420 3.823 3.698 3.929     .  0 0 "[    .    1    .    2]" 3 
        357 1 15 ALA H   1 24 PRO HA   5.500 .  6.000 3.717 3.638 3.878     .  0 0 "[    .    1    .    2]" 3 
        358 1 24 PRO HA  1 25 ALA H    3.500 .  4.000 2.226 2.190 2.282     .  0 0 "[    .    1    .    2]" 3 
        359 1 13 VAL H   1 24 PRO HA   5.500 .  6.000 4.193 4.065 4.291     .  0 0 "[    .    1    .    2]" 3 
        360 1 24 PRO HA  1 40 PHE QD   6.170 .  6.670 5.218 5.081 5.399     .  0 0 "[    .    1    .    2]" 3 
        361 1 24 PRO HA  1 56 PHE HE1  5.500 .  6.000 4.361 4.021 5.339     .  0 0 "[    .    1    .    2]" 3 
        362 1 24 PRO HA  1 56 PHE HD1  5.500 .  6.000 3.920 3.490 4.925     .  0 0 "[    .    1    .    2]" 3 
        363 1 13 VAL HA  1 24 PRO HA   6.170 .  6.670 5.154 5.024 5.263     .  0 0 "[    .    1    .    2]" 3 
        364 1 14 LEU QB  1 24 PRO HA   6.170 .  6.670 4.555 4.353 4.667     .  0 0 "[    .    1    .    2]" 3 
        365 1 14 LEU QD  1 24 PRO HA   5.300 .  5.800 2.445 2.274 2.667     .  0 0 "[    .    1    .    2]" 3 
        366 1 13 VAL QG  1 24 PRO HA   7.410 .  7.910 4.594 4.523 4.676     .  0 0 "[    .    1    .    2]" 3 
        367 1 24 PRO QB  1 25 ALA H    5.050 .  5.550 3.052 2.987 3.130     .  0 0 "[    .    1    .    2]" 3 
        368 1 24 PRO QB  1 56 PHE HE1  6.170 .  6.670 2.882 2.521 3.841     .  0 0 "[    .    1    .    2]" 3 
        369 1 24 PRO QB  1 40 PHE QD   8.900 .  9.400 4.286 4.250 4.314     .  0 0 "[    .    1    .    2]" 3 
        370 1 12 GLN QE  1 24 PRO QB   8.320 .  8.820 2.217 2.082 2.271     .  0 0 "[    .    1    .    2]" 3 
        371 1 24 PRO QB  1 26 LYS HA   8.420 .  8.920 6.232 6.091 6.370     .  0 0 "[    .    1    .    2]" 3 
        372 1 23 TYR HA  1 24 PRO QB   6.170 .  6.670 4.744 4.686 4.816     .  0 0 "[    .    1    .    2]" 3 
        373 1 24 PRO QB  1 56 PHE HA   6.170 .  6.670 5.488 5.337 5.566     .  0 0 "[    .    1    .    2]" 3 
        374 1 14 LEU HG  1 24 PRO QB   6.170 .  6.670 4.648 4.185 4.893     .  0 0 "[    .    1    .    2]" 3 
        375 1 24 PRO QB  1 76 LEU QD   6.810 .  7.310 3.190 2.736 4.174     .  0 0 "[    .    1    .    2]" 3 
        376 1 30 VAL HB  1 31 ASN H    5.500 .  6.000 4.012 3.904 4.139     .  0 0 "[    .    1    .    2]" 3 
        377 1 24 PRO QG  1 25 ALA H    6.170 .  6.670 4.534 4.469 4.603     .  0 0 "[    .    1    .    2]" 3 
        378 1 24 PRO QG  1 40 PHE QD   6.930 .  7.430 3.517 3.401 3.610     .  0 0 "[    .    1    .    2]" 3 
        379 1 24 PRO QG  1 56 PHE HE1  6.170 .  6.670 3.979 3.599 4.699     .  0 0 "[    .    1    .    2]" 3 
        380 1 23 TYR QD  1 24 PRO QG  10.110 . 10.610 4.445 4.151 4.690     .  0 0 "[    .    1    .    2]" 3 
        381 1 14 LEU QD  1 24 PRO QG       . . 10.200 3.885 3.729 4.055     .  0 0 "[    .    1    .    2]" 3 
        382 1 15 ALA H   1 24 PRO QD   6.170 .  6.670 5.187 5.134 5.252     .  0 0 "[    .    1    .    2]" 3 
        383 1 23 TYR H   1 24 PRO QD   6.170 .  6.670 4.329 4.282 4.372     .  0 0 "[    .    1    .    2]" 3 
        384 1 24 PRO QD  1 25 ALA H    6.170 .  6.670 4.993 4.956 5.008     .  0 0 "[    .    1    .    2]" 3 
        385 1 23 TYR QE  1 24 PRO QD   7.780 .  8.280 4.964 4.770 5.200     .  0 0 "[    .    1    .    2]" 3 
        386 1 24 PRO QD  1 40 PHE QD   5.670 .  6.170 4.513 4.492 4.534     .  0 0 "[    .    1    .    2]" 3 
        387 1 23 TYR HD2 1 24 PRO QD   6.170 .  6.670 2.893 2.670 3.186     .  0 0 "[    .    1    .    2]" 3 
        388 1 24 PRO QD  1 56 PHE HE1  6.170 .  6.670 3.797 3.481 4.447     .  0 0 "[    .    1    .    2]" 3 
        389 1 12 GLN QE  1 24 PRO QD       . .  7.910 4.098 3.993 4.238     .  0 0 "[    .    1    .    2]" 3 
        390 1 22 PHE QB  1 24 PRO QD   6.930 .  7.430 5.012 4.926 5.167     .  0 0 "[    .    1    .    2]" 3 
        391 1 24 PRO QD  1 76 LEU QD   8.320 .  8.820 2.990 2.445 3.776     .  0 0 "[    .    1    .    2]" 3 
        392 1 14 LEU QD  1 24 PRO QD       . .  9.840 2.955 2.817 3.132     .  0 0 "[    .    1    .    2]" 3 
        393 1 25 ALA HA  1 41 TYR H    5.500 .  6.000 3.561 3.310 3.704     .  0 0 "[    .    1    .    2]" 3 
        394 1 25 ALA HA  1 26 LYS H    4.500 .  5.000 2.444 2.353 2.584     .  0 0 "[    .    1    .    2]" 3 
        395 1 25 ALA HA  1 40 PHE QD   6.170 .  6.670 3.545 3.311 3.871     .  0 0 "[    .    1    .    2]" 3 
        396 1 25 ALA HA  1 26 LYS HA   5.500 .  6.000 4.505 4.479 4.554     .  0 0 "[    .    1    .    2]" 3 
        397 1 25 ALA HA  1 39 LYS HA   7.500 .  8.000 6.100 6.006 6.212     .  0 0 "[    .    1    .    2]" 3 
        398 1 25 ALA HA  1 26 LYS QB   6.930 .  7.430 4.060 3.929 4.518     .  0 0 "[    .    1    .    2]" 3 
        399 1 13 VAL QG  1 25 ALA HA   8.320 .  8.820 4.126 3.979 4.236     .  0 0 "[    .    1    .    2]" 3 
        400 1 25 ALA MB  1 28 THR H    7.410 .  7.910 4.041 3.867 4.174     .  0 0 "[    .    1    .    2]" 3 
        401 1 23 TYR H   1 25 ALA MB   7.410 .  7.910 4.667 4.555 4.759     .  0 0 "[    .    1    .    2]" 3 
        402 1 15 ALA H   1 25 ALA MB   5.400 .  5.900 3.475 3.376 3.622     .  0 0 "[    .    1    .    2]" 3 
        403 1 13 VAL H   1 25 ALA MB   7.410 .  7.910 3.808 3.699 3.929     .  0 0 "[    .    1    .    2]" 3 
        404 1 25 ALA MB  1 39 LYS H    5.400 .  5.900 3.271 3.188 3.376     .  0 0 "[    .    1    .    2]" 3 
        405 1 25 ALA MB  1 41 TYR H    5.400 .  5.900 4.437 4.205 4.526     .  0 0 "[    .    1    .    2]" 3 
        406 1 25 ALA MB  1 27 VAL H    6.610 .  7.110 5.008 4.957 5.090     .  0 0 "[    .    1    .    2]" 3 
        407 1 25 ALA MB  1 26 LYS H    4.200 .  4.700 2.460 2.366 2.616     .  0 0 "[    .    1    .    2]" 3 
        408 1 17 TRP HA  1 25 ALA MB   6.490 .  6.990 3.705 3.606 3.749     .  0 0 "[    .    1    .    2]" 3 
        409 1 14 LEU HA  1 25 ALA MB   5.050 .  5.550 3.549 3.526 3.576     .  0 0 "[    .    1    .    2]" 3 
        410 1 24 PRO QD  1 25 ALA MB   7.930 .  8.430 4.423 4.352 4.497     .  0 0 "[    .    1    .    2]" 3 
        411 1 24 PRO QB  1 25 ALA MB   7.410 .  7.910 4.594 4.559 4.616     .  0 0 "[    .    1    .    2]" 3 
        412 1 24 PRO QG  1 25 ALA MB  10.110 . 10.610 5.164 5.092 5.250     .  0 0 "[    .    1    .    2]" 3 
        413 1 25 ALA MB  1 38 VAL HB   4.200 .  4.700 2.308 2.214 2.393     .  0 0 "[    .    1    .    2]" 3 
        414 1 25 ALA MB  1 38 VAL QG   5.670 .  6.170 2.659 2.565 2.715     .  0 0 "[    .    1    .    2]" 3 
        415 1 13 VAL QG  1 25 ALA MB   5.090 .  5.590 2.213 2.103 2.273     .  0 0 "[    .    1    .    2]" 3 
        416 1 25 ALA MB  1 28 THR MG   7.070 .  7.570 4.535 4.508 4.561     .  0 0 "[    .    1    .    2]" 3 
        417 1 26 LYS HA  1 28 THR H    8.420 .  8.920 5.929 5.879 5.967     .  0 0 "[    .    1    .    2]" 3 
        418 1 10 ASN H   1 26 LYS HA   6.170 .  6.670 4.441 4.252 4.506     .  0 0 "[    .    1    .    2]" 3 
        419 1 13 VAL H   1 26 LYS HA   4.500 .  5.000 3.650 3.067 3.870     .  0 0 "[    .    1    .    2]" 3 
        420 1 26 LYS HA  1 39 LYS H    5.500 .  6.000 4.781 4.746 4.830     .  0 0 "[    .    1    .    2]" 3 
        421 1 12 GLN H   1 26 LYS HA   6.170 .  6.670 4.619 4.319 4.838     .  0 0 "[    .    1    .    2]" 3 
        422 1 26 LYS HA  1 27 VAL H    3.500 .  4.000 2.285 2.234 2.320     .  0 0 "[    .    1    .    2]" 3 
        423 1 13 VAL HA  1 26 LYS HA   8.420 .  8.920 5.731 5.252 5.857     .  0 0 "[    .    1    .    2]" 3 
        424 1 10 ASN HA  1 26 LYS HA   6.170 .  6.670 4.306 4.112 4.442     .  0 0 "[    .    1    .    2]" 3 
        425 1 26 LYS HA  1 27 VAL HA   5.500 .  6.000 4.511 4.312 4.567     .  0 0 "[    .    1    .    2]" 3 
        426 1 11 GLU QG  1 26 LYS HA   7.190 .  7.690 4.447 4.359 4.501     .  0 0 "[    .    1    .    2]" 3 
        427 1 11 GLU QB  1 26 LYS HA   7.410 .  7.910 4.079 3.687 4.692     .  0 0 "[    .    1    .    2]" 3 
        428 1 26 LYS HA  1 38 VAL HB   6.610 .  7.110 5.127 4.994 5.252     .  0 0 "[    .    1    .    2]" 3 
        429 1 26 LYS HA  1 28 THR MG   7.610 .  8.110 4.880 4.760 5.162     .  0 0 "[    .    1    .    2]" 3 
        430 1 26 LYS HA  1 27 VAL QG   7.410 .  7.910 3.756 3.431 3.866     .  0 0 "[    .    1    .    2]" 3 
        431 1 25 ALA MB  1 26 LYS HA   6.490 .  6.990 3.512 3.242 3.601     .  0 0 "[    .    1    .    2]" 3 
        432 1 26 LYS HA  1 38 VAL QG   7.410 .  7.910 4.869 4.500 4.988     .  0 0 "[    .    1    .    2]" 3 
        433 1 13 VAL QG  1 26 LYS HA   6.810 .  7.310 3.243 2.493 3.636     .  0 0 "[    .    1    .    2]" 3 
        434 1 12 GLN QB  1 26 LYS HA   6.610 .  7.110 4.526 4.045 4.789     .  0 0 "[    .    1    .    2]" 3 
        435 1 26 LYS QB  1 28 THR H    8.320 .  8.820 5.027 4.849 5.718     .  0 0 "[    .    1    .    2]" 3 
        436 1 10 ASN H   1 26 LYS QB   8.320 .  8.820 4.781 3.885 4.976     .  0 0 "[    .    1    .    2]" 3 
        437 1 13 VAL H   1 26 LYS QB   6.930 .  7.430 5.251 4.374 5.487     .  0 0 "[    .    1    .    2]" 3 
        438 1 26 LYS QB  1 39 LYS H    6.930 .  7.430 3.446 3.150 4.807     .  0 0 "[    .    1    .    2]" 3 
        439 1 26 LYS QB  1 27 VAL H    5.670 .  6.170 3.748 2.709 3.913     .  0 0 "[    .    1    .    2]" 3 
        440 1 10 ASN HA  1 26 LYS QB   6.810 .  7.310 4.390 3.074 4.727     .  0 0 "[    .    1    .    2]" 3 
        441 1  9 ILE HA  1 26 LYS QB   9.450 .  9.950 6.827 5.396 7.183     .  0 0 "[    .    1    .    2]" 3 
        442 1 24 PRO QB  1 26 LYS QB   9.700 . 10.200 5.195 4.373 5.329     .  0 0 "[    .    1    .    2]" 3 
        443 1 11 GLU QB  1 26 LYS QB  11.000 . 11.500 4.412 3.151 5.144     .  0 0 "[    .    1    .    2]" 3 
        444 1 26 LYS QB  1 28 THR MG   8.800 .  9.300 3.146 2.886 4.240     .  0 0 "[    .    1    .    2]" 3 
        445 1 26 LYS QB  1 27 VAL QG       . .  9.840 4.837 4.132 4.943     .  0 0 "[    .    1    .    2]" 3 
        446 1 25 ALA MB  1 26 LYS QB   8.750 .  9.250 3.900 3.859 3.987     .  0 0 "[    .    1    .    2]" 3 
        447 1 13 VAL QG  1 26 LYS QB   9.340 .  9.840 4.569 3.918 4.878     .  0 0 "[    .    1    .    2]" 3 
        448 1 10 ASN H   1 26 LYS QG   6.930 .  7.430 3.596 3.300 4.561     .  0 0 "[    .    1    .    2]" 3 
        449 1 13 VAL H   1 26 LYS QG   9.450 .  9.950 5.762 5.560 5.945     .  0 0 "[    .    1    .    2]" 3 
        450 1 26 LYS QG  1 39 LYS H    6.930 .  7.430 4.218 3.257 4.549     .  0 0 "[    .    1    .    2]" 3 
        451 1 12 GLN H   1 26 LYS QG   6.930 .  7.430 5.208 4.799 6.246     .  0 0 "[    .    1    .    2]" 3 
        452 1 26 LYS QG  1 27 VAL H    6.930 .  7.430 3.011 2.651 3.926     .  0 0 "[    .    1    .    2]" 3 
        453 1 11 GLU H   1 26 LYS QG   6.930 .  7.430 3.757 3.084 4.970     .  0 0 "[    .    1    .    2]" 3 
        454 1 11 GLU QG  1 26 LYS QG   9.700 . 10.200 4.236 3.928 5.290     .  0 0 "[    .    1    .    2]" 3 
        455 1 11 GLU QB  1 26 LYS QG   9.990 . 10.490 4.519 4.067 4.975     .  0 0 "[    .    1    .    2]" 3 
        456 1 25 ALA MB  1 26 LYS QG  10.690 . 11.190 4.019 3.901 4.155     .  0 0 "[    .    1    .    2]" 3 
        457 1 27 VAL H   1 39 LYS QD   7.780 .  8.280 5.501 5.400 5.570     .  0 0 "[    .    1    .    2]" 3 
        458 1 26 LYS HA  1 39 LYS QD  10.610 . 11.110 5.654 5.534 5.898     .  0 0 "[    .    1    .    2]" 3 
        459 1 10 ASN HA  1 39 LYS QD   6.360 .  6.860 5.081 5.062 5.108     .  0 0 "[    .    1    .    2]" 3 
        460 1 39 LYS QD  1 43 GLY QA       . .  6.170 4.493 4.365 4.546     .  0 0 "[    .    1    .    2]" 3 
        461 1 26 LYS QG  1 39 LYS QD   5.560 .  6.060 4.387 3.832 4.456     .  0 0 "[    .    1    .    2]" 3 
        462 1 39 LYS QD  1 45 VAL MG2  4.720 .  5.220 2.694 2.418 2.816     .  0 0 "[    .    1    .    2]" 3 
        463 1 39 LYS QE  1 45 VAL MG1  8.320 .  8.820 5.226 5.004 5.381     .  0 0 "[    .    1    .    2]" 3 
        464 1 39 LYS QE  1 45 VAL MG2  6.810 .  7.310 3.214 2.867 3.511     .  0 0 "[    .    1    .    2]" 3 
        465 1 10 ASN HA  1 26 LYS QE   8.320 .  8.820 2.267 2.115 2.599     .  0 0 "[    .    1    .    2]" 3 
        466 1 26 LYS QE  1 27 VAL H    8.730 .  9.230 3.911 3.779 4.035     .  0 0 "[    .    1    .    2]" 3 
        467 1 27 VAL HA  1 28 THR H    3.500 .  4.000 2.249 2.234 2.266     .  0 0 "[    .    1    .    2]" 3 
        468 1 27 VAL HA  1 39 LYS H    5.500 .  6.000 3.934 3.878 4.011     .  0 0 "[    .    1    .    2]" 3 
        469 1  5 SER QB  1  6 GLU H    7.410 .  7.910 3.178 2.604 3.465     .  0 0 "[    .    1    .    2]" 3 
        470 1  5 SER QB  1  7 PHE H    8.320 .  8.820 4.441 2.678 5.766     .  0 0 "[    .    1    .    2]" 3 
        471 1  5 SER QB  1  7 PHE HE1  9.060 .  9.560 2.981 2.144 3.775     .  0 0 "[    .    1    .    2]" 3 
        472 1 27 VAL HA  1 38 VAL HA   4.500 .  5.000 2.620 2.564 2.686     .  0 0 "[    .    1    .    2]" 3 
        473 1 27 VAL HA  1 38 VAL HB   5.500 .  6.000 3.839 3.745 4.034     .  0 0 "[    .    1    .    2]" 3 
        474 1  9 ILE QG  1 27 VAL HA   6.360 .  6.860 3.758 3.728 3.784     .  0 0 "[    .    1    .    2]" 3 
        475 1 27 VAL HA  1 38 VAL QG   6.070 .  6.570 2.162 2.100 2.247     .  0 0 "[    .    1    .    2]" 3 
        476 1 13 VAL QG  1 27 VAL HA   8.320 .  8.820 2.112 2.059 2.185     .  0 0 "[    .    1    .    2]" 3 
        477 1 27 VAL HB  1 28 THR H    5.500 .  6.000 4.167 4.113 4.209     .  0 0 "[    .    1    .    2]" 3 
        478 1 11 GLU H   1 27 VAL HB   4.500 .  5.000 2.712 2.589 2.943     .  0 0 "[    .    1    .    2]" 3 
        479 1 26 LYS HA  1 27 VAL HB   5.500 .  6.000 4.740 4.647 4.802     .  0 0 "[    .    1    .    2]" 3 
        480 1 10 ASN HA  1 27 VAL HB   6.170 .  6.670 4.263 3.880 4.591     .  0 0 "[    .    1    .    2]" 3 
        481 1 11 GLU QB  1 27 VAL HB   6.170 .  6.670 4.325 4.030 4.472     .  0 0 "[    .    1    .    2]" 3 
        482 1 26 LYS QB  1 27 VAL HB   6.930 .  7.430 5.605 4.482 5.771     .  0 0 "[    .    1    .    2]" 3 
        483 1  9 ILE QG  1 27 VAL HB   8.200 .  8.700 3.714 3.576 3.799     .  0 0 "[    .    1    .    2]" 3 
        484 1 13 VAL QG  1 27 VAL HB   8.320 .  8.820 3.528 3.493 3.560     .  0 0 "[    .    1    .    2]" 3 
        485 1 27 VAL HB  1 36 TYR HD1  6.170 .  6.670 5.374 5.234 5.551     .  0 0 "[    .    1    .    2]" 3 
        486 1 27 VAL QG  1 28 THR H    6.070 .  6.570 2.661 2.607 2.729     .  0 0 "[    .    1    .    2]" 3 
        487 1 10 ASN H   1 27 VAL QG   6.070 .  6.570 3.339 3.100 3.610     .  0 0 "[    .    1    .    2]" 3 
        488 1 27 VAL QG  1 37 THR H    6.070 .  6.570 3.549 3.472 3.748     .  0 0 "[    .    1    .    2]" 3 
        489 1  9 ILE H   1 27 VAL QG   7.410 .  7.910 3.421 3.130 3.552     .  0 0 "[    .    1    .    2]" 3 
        490 1 11 GLU H   1 27 VAL QG       . .  6.570 3.326 3.178 3.497     .  0 0 "[    .    1    .    2]" 3 
        491 1 27 VAL QG  1 29 ALA H    6.070 .  6.570 2.636 2.575 2.697     .  0 0 "[    .    1    .    2]" 3 
        492 1 27 VAL QG  1 36 TYR HD1  5.940 .  6.440 2.624 2.487 2.927     .  0 0 "[    .    1    .    2]" 3 
        493 1 26 LYS HA  1 27 VAL QG       . .  7.310 3.387 3.201 3.443     .  0 0 "[    .    1    .    2]" 3 
        494 1  8 GLN HA  1 27 VAL QG       . .  8.820 3.092 2.703 3.202     .  0 0 "[    .    1    .    2]" 3 
        495 1 27 VAL QG  1 29 ALA HA   9.340 .  9.840 3.170 3.058 3.281     .  0 0 "[    .    1    .    2]" 3 
        496 1 10 ASN HA  1 27 VAL QG   9.340 .  9.840 4.307 4.127 4.429     .  0 0 "[    .    1    .    2]" 3 
        497 1 27 VAL QG  1 30 VAL HA   7.410 .  7.910 3.979 3.872 4.126     .  0 0 "[    .    1    .    2]" 3 
        498 1 27 VAL QG  1 36 TYR QB   8.320 .  8.820 4.330 4.144 4.985     .  0 0 "[    .    1    .    2]" 3 
        499 1  9 ILE QG  1 27 VAL QG   8.320 .  8.820 2.229 2.187 2.321     .  0 0 "[    .    1    .    2]" 3 
        500 1 26 LYS QG  1 27 VAL QG  10.490 . 10.990 4.225 4.013 4.869     .  0 0 "[    .    1    .    2]" 3 
        501 1  9 ILE QG  1 27 VAL QG   7.490 .  7.990 2.192 2.116 2.287     .  0 0 "[    .    1    .    2]" 3 
        502 1 27 VAL QG  1 38 VAL QG       . .  6.860 2.685 2.597 2.825     .  0 0 "[    .    1    .    2]" 3 
        503 1 13 VAL H   1 27 VAL QG   8.320 .  8.820 3.293 3.207 3.451     .  0 0 "[    .    1    .    2]" 3 
        504 1  8 GLN H   1 27 VAL QG   7.410 .  7.910 4.092 3.649 4.591     .  0 0 "[    .    1    .    2]" 3 
        505 1  7 PHE HA  1 27 VAL QG   8.320 .  8.820 3.675 3.319 4.015     .  0 0 "[    .    1    .    2]" 3 
        506 1 10 ASN HA  1 27 VAL QG   8.320 .  8.820 4.269 4.057 4.459     .  0 0 "[    .    1    .    2]" 3 
        507 1 11 GLU QB  1 27 VAL QG   7.280 .  7.780 3.468 3.160 3.553     .  0 0 "[    .    1    .    2]" 3 
        508 1 13 VAL HB  1 27 VAL QG   7.410 .  7.910 3.594 3.547 3.638     .  0 0 "[    .    1    .    2]" 3 
        509 1 27 VAL QG  1 29 ALA MB   9.340 .  9.840 3.770 3.728 3.839     .  0 0 "[    .    1    .    2]" 3 
        510 1 13 VAL QG  1 27 VAL QG   7.140 .  7.640 1.689 1.677 1.706 0.123  9 0 "[    .    1    .    2]" 3 
        511 1  7 PHE QB  1 27 VAL QG   7.640 .  8.140 3.298 3.082 3.422     .  0 0 "[    .    1    .    2]" 3 
        512 1 28 THR MG  1 38 VAL QG   8.750 .  9.250 2.319 2.160 2.609     .  0 0 "[    .    1    .    2]" 3 
        513 1 48 VAL QG  1 53 VAL QG       . .  6.860 1.959 1.916 1.997     .  0 0 "[    .    1    .    2]" 3 
        514 1 28 THR MG  1 39 LYS QD   4.720 .  5.220 2.996 2.932 3.051     .  0 0 "[    .    1    .    2]" 3 
        515 1 46 GLN QB  1 48 VAL QG   6.810 .  7.310 2.598 2.314 3.022     .  0 0 "[    .    1    .    2]" 3 
        516 1 16 SER QB  1 28 THR MG   8.750 .  9.250 3.343 2.978 3.553     .  0 0 "[    .    1    .    2]" 3 
        517 1 48 VAL QG  1 52 HIS QB   8.320 .  8.820 2.632 2.449 2.717     .  0 0 "[    .    1    .    2]" 3 
        518 1 17 TRP HA  1 28 THR MG   7.790 .  8.290 2.927 2.840 3.135     .  0 0 "[    .    1    .    2]" 3 
        519 1 40 PHE HZ  1 48 VAL QG   7.410 .  7.910 4.564 4.015 4.909     .  0 0 "[    .    1    .    2]" 3 
        520 1 28 THR MG  1 39 LYS H    5.400 .  5.900 2.686 2.618 2.773     .  0 0 "[    .    1    .    2]" 3 
        521 1 48 VAL QG  1 49 LYS H    6.070 .  6.570 3.100 3.073 3.134     .  0 0 "[    .    1    .    2]" 3 
        522 1 28 THR MG  1 39 LYS QB   4.720 .  5.220 2.059 2.031 2.103     .  0 0 "[    .    1    .    2]" 3 
        523 1 10 ASN H   1 28 THR HB   7.500 .  8.000 5.920 5.747 6.095     .  0 0 "[    .    1    .    2]" 3 
        524 1 28 THR HB  1 39 LYS H    5.500 .  6.000 5.543 5.510 5.562     .  0 0 "[    .    1    .    2]" 3 
        525 1 28 THR HB  1 29 ALA H    5.500 .  6.000 3.934 3.892 3.977     .  0 0 "[    .    1    .    2]" 3 
        526 1  9 ILE QG  1 28 THR HB   7.780 .  8.280 4.847 4.770 4.932     .  0 0 "[    .    1    .    2]" 3 
        527 1 28 THR HB  1 29 ALA MB   7.410 .  7.910 4.087 4.042 4.136     .  0 0 "[    .    1    .    2]" 3 
        528 1 26 LYS QB  1 28 THR HB   9.450 .  9.950 6.659 6.433 7.425     .  0 0 "[    .    1    .    2]" 3 
        529 1  9 ILE MD  1 28 THR HB   7.410 .  7.910 4.350 4.167 4.489     .  0 0 "[    .    1    .    2]" 3 
        530 1 27 VAL HA  1 28 THR HB   6.170 .  6.670 4.015 3.914 4.191     .  0 0 "[    .    1    .    2]" 3 
        531 1 10 ASN H   1 28 THR HA   5.500 .  6.000 3.425 3.279 3.578     .  0 0 "[    .    1    .    2]" 3 
        532 1 28 THR HA  1 37 THR H    7.500 .  8.000 6.423 6.367 6.513     .  0 0 "[    .    1    .    2]" 3 
        533 1 28 THR HA  1 39 LYS H    5.500 .  6.000 5.505 5.439 5.520     .  0 0 "[    .    1    .    2]" 3 
        534 1 27 VAL H   1 28 THR HA   5.500 .  6.000 5.425 5.359 5.476     .  0 0 "[    .    1    .    2]" 3 
        535 1 11 GLU H   1 28 THR HA   7.500 .  8.000 5.981 5.814 6.123     .  0 0 "[    .    1    .    2]" 3 
        536 1 28 THR HA  1 29 ALA H    5.500 .  6.000 3.601 3.586 3.613     .  0 0 "[    .    1    .    2]" 3 
        537 1 28 THR HA  1 29 ALA HA   5.500 .  6.000 4.533 4.503 4.553     .  0 0 "[    .    1    .    2]" 3 
        538 1 27 VAL HA  1 28 THR HA   5.500 .  6.000 4.483 4.476 4.496     .  0 0 "[    .    1    .    2]" 3 
        539 1  9 ILE HA  1 28 THR HA   5.500 .  6.000 4.209 3.784 4.463     .  0 0 "[    .    1    .    2]" 3 
        540 1 10 ASN QB  1 28 THR HA   8.420 .  8.920 5.683 5.458 5.905     .  0 0 "[    .    1    .    2]" 3 
        541 1 26 LYS QE  1 28 THR HA   6.930 .  7.430 5.021 4.243 5.882     .  0 0 "[    .    1    .    2]" 3 
        542 1  9 ILE HB  1 28 THR HA   7.500 .  8.000 5.694 5.370 5.925     .  0 0 "[    .    1    .    2]" 3 
        543 1  9 ILE QG  1 28 THR HA   7.410 .  7.910 4.242 3.871 4.481     .  0 0 "[    .    1    .    2]" 3 
        544 1 28 THR HA  1 29 ALA MB   7.410 .  7.910 4.493 4.471 4.511     .  0 0 "[    .    1    .    2]" 3 
        545 1 26 LYS QG  1 28 THR HA   6.930 .  7.430 4.302 3.959 5.077     .  0 0 "[    .    1    .    2]" 3 
        546 1 28 THR H   1 29 ALA MB   6.610 .  7.110 4.418 4.357 4.454     .  0 0 "[    .    1    .    2]" 3 
        547 1 29 ALA MB  1 37 THR H    5.400 .  5.900 3.442 3.275 3.622     .  0 0 "[    .    1    .    2]" 3 
        548 1 29 ALA MB  1 30 VAL H    4.200 .  4.700 2.426 2.337 2.557     .  0 0 "[    .    1    .    2]" 3 
        549 1 29 ALA MB  1 36 TYR HA   6.610 .  7.110 4.442 4.308 4.651     .  0 0 "[    .    1    .    2]" 3 
        550 1 29 ALA MB  1 37 THR HB   4.200 .  4.700 2.247 2.135 2.314     .  0 0 "[    .    1    .    2]" 3 
        551 1 29 ALA MB  1 37 THR MG   5.050 .  5.550 3.340 3.241 3.384     .  0 0 "[    .    1    .    2]" 3 
        552 1  9 ILE MD  1 29 ALA MB   8.180 .  8.680 3.100 3.033 3.213     .  0 0 "[    .    1    .    2]" 3 
        553 1 63 VAL HA  1 64 GLY H    4.500 .  5.000 3.467 2.444 3.662     .  0 0 "[    .    1    .    2]" 3 
        554 1 63 VAL HA  1 66 ALA HA   5.500 .  6.000 4.658 4.137 5.261     .  0 0 "[    .    1    .    2]" 3 
        555 1 62 ILE HB  1 63 VAL HA   5.500 .  6.000 4.958 4.237 5.523     .  0 0 "[    .    1    .    2]" 3 
        556 1 63 VAL HA  1 66 ALA MB   6.610 .  7.110 4.168 2.530 5.532     .  0 0 "[    .    1    .    2]" 3 
        557 1 30 VAL MG2 1 31 ASN H    5.400 .  5.900 4.177 4.105 4.265     .  0 0 "[    .    1    .    2]" 3 
        558 1 30 VAL MG2 1 36 TYR QD   6.490 .  6.990 2.705 2.549 2.907     .  0 0 "[    .    1    .    2]" 3 
        559 1 30 VAL HA  1 31 ASN HA   5.500 .  6.000 4.523 4.508 4.554     .  0 0 "[    .    1    .    2]" 3 
        560 1 30 VAL QG  1 31 ASN HA   7.410 .  7.910 3.973 3.843 4.060     .  0 0 "[    .    1    .    2]" 3 
        561 1 31 ASN QB  1 36 TYR H    6.930 .  7.430 4.473 4.312 4.983     .  0 0 "[    .    1    .    2]" 3 
        562 1 31 ASN QB  1 33 ASP H    6.170 .  6.670 2.948 2.775 3.061     .  0 0 "[    .    1    .    2]" 3 
        563 1 31 ASN QB  1 35 THR HA   6.170 .  6.670 4.336 4.235 4.726     .  0 0 "[    .    1    .    2]" 3 
        564 1 30 VAL HA  1 31 ASN QB   6.170 .  6.670 4.377 4.301 4.518     .  0 0 "[    .    1    .    2]" 3 
        565 1 31 ASN QB  1 47 THR MG   7.410 .  7.910 4.820 4.728 4.871     .  0 0 "[    .    1    .    2]" 3 
        566 1 31 ASN H   1 32 LYS HA   6.170 .  6.670 3.514 3.408 3.593     .  0 0 "[    .    1    .    2]" 3 
        567 1 32 LYS HA  1 33 ASP H    5.500 .  6.000 3.499 3.465 3.524     .  0 0 "[    .    1    .    2]" 3 
        568 1 30 VAL QG  1 32 LYS HA   7.410 .  7.910 4.122 3.863 4.431     .  0 0 "[    .    1    .    2]" 3 
        569 1 32 LYS HA  1 33 ASP QB   6.170 .  6.670 5.080 5.026 5.129     .  0 0 "[    .    1    .    2]" 3 
        570 1 32 LYS QB  1 33 ASP H    6.170 .  6.670 3.032 2.921 3.169     .  0 0 "[    .    1    .    2]" 3 
        571 1 24 PRO QB  1 32 LYS QD   7.280 .  7.780 3.835 2.415 4.836     .  0 0 "[    .    1    .    2]" 3 
        572 1 24 PRO QB  1 80 LYS QD   8.730 .  9.230 3.864 2.415 4.974     .  0 0 "[    .    1    .    2]" 3 
        573 1 58 LYS QD  1 59 ASP QB   7.780 .  8.280 5.084 4.297 5.959     .  0 0 "[    .    1    .    2]" 3 
        574 1 32 LYS QE  1 65 ASN HA   6.170 .  6.670 5.496 5.359 5.527     .  0 0 "[    .    1    .    2]" 3 
        575 1 36 TYR QB  1 49 LYS HA   6.170 .  6.670 4.096 4.020 4.164     .  0 0 "[    .    1    .    2]" 3 
        576 1 58 LYS QE  1 71 ALA HA   6.930 .  7.430 5.916 5.075 6.231     .  0 0 "[    .    1    .    2]" 3 
        577 1 58 LYS QE  1 73 SER QB   6.930 .  7.430 4.492 2.857 5.521     .  0 0 "[    .    1    .    2]" 3 
        578 1 32 LYS HA  1 32 LYS QE   5.050 .  5.550 3.909 2.666 4.525     .  0 0 "[    .    1    .    2]" 3 
        579 1 24 PRO QD  1 79 LYS QE  10.300 . 10.800 4.068 3.526 4.997     .  0 0 "[    .    1    .    2]" 3 
        580 1 78 SER QB  1 79 LYS QE   7.780 .  8.280 4.812 3.648 6.179     .  0 0 "[    .    1    .    2]" 3 
        581 1 33 ASP HA  1 34 GLY H    5.500 .  6.000 3.535 3.510 3.550     .  0 0 "[    .    1    .    2]" 3 
        582 1 33 ASP HA  1 35 THR H    5.500 .  6.000 5.295 5.111 5.392     .  0 0 "[    .    1    .    2]" 3 
        583 1 32 LYS HA  1 33 ASP HA   5.400 .  5.900 4.038 4.029 4.046     .  0 0 "[    .    1    .    2]" 3 
        584 1 33 ASP HA  1 34 GLY QA   6.170 .  6.670 4.284 4.266 4.304     .  0 0 "[    .    1    .    2]" 3 
        585 1 32 LYS QB  1 33 ASP HA   6.170 .  6.670 4.420 4.327 4.542     .  0 0 "[    .    1    .    2]" 3 
        586 1 32 LYS QG  1 33 ASP HA   6.930 .  7.430 4.381 4.085 5.246     .  0 0 "[    .    1    .    2]" 3 
        587 1 33 ASP HA  1 35 THR MG   6.610 .  7.110 5.514 5.433 5.541     .  0 0 "[    .    1    .    2]" 3 
        588 1 34 GLY QA  1 35 THR H    6.170 .  6.670 2.918 2.895 2.951     .  0 0 "[    .    1    .    2]" 3 
        589 1 34 GLY QA  1 36 TYR HD2      . .  9.950 5.036 4.923 5.482     .  0 0 "[    .    1    .    2]" 3 
        590 1 34 GLY QA  1 35 THR HA   6.170 .  6.670 4.075 4.064 4.088     .  0 0 "[    .    1    .    2]" 3 
        591 1 34 GLY QA  1 49 LYS HA   6.170 .  6.670 4.904 4.817 5.006     .  0 0 "[    .    1    .    2]" 3 
        592 1 34 GLY QA  1 50 HIS QB   6.930 .  7.430 3.119 2.898 3.492     .  0 0 "[    .    1    .    2]" 3 
        593 1 31 ASN QB  1 34 GLY QA   6.930 .  7.430 4.656 4.584 4.779     .  0 0 "[    .    1    .    2]" 3 
        594 1 33 ASP QB  1 34 GLY QA   6.930 .  7.430 4.223 4.205 4.240     .  0 0 "[    .    1    .    2]" 3 
        595 1 34 GLY QA  1 35 THR MG   7.410 .  7.910 3.412 3.323 3.568     .  0 0 "[    .    1    .    2]" 3 
        596 1 35 THR HB  1 48 VAL QG   7.410 .  7.910 4.894 4.845 4.970     .  0 0 "[    .    1    .    2]" 3 
        597 1 35 THR HB  1 47 THR MG   4.200 .  4.700 2.903 2.632 3.008     .  0 0 "[    .    1    .    2]" 3 
        598 1 35 THR HB  1 36 TYR QB   6.610 .  7.110 4.350 4.288 4.422     .  0 0 "[    .    1    .    2]" 3 
        599 1 35 THR HB  1 36 TYR QB   6.170 .  6.670 4.434 4.366 4.499     .  0 0 "[    .    1    .    2]" 3 
        600 1 35 THR HB  1 47 THR HB   5.500 .  6.000 5.462 5.297 5.514     .  0 0 "[    .    1    .    2]" 3 
        601 1 35 THR HB  1 49 LYS HA   5.500 .  6.000 3.524 3.356 3.803     .  0 0 "[    .    1    .    2]" 3 
        602 1 35 THR HB  1 37 THR HA   7.500 .  8.000 6.126 6.021 6.185     .  0 0 "[    .    1    .    2]" 3 
        603 1 35 THR HB  1 47 THR HA   5.500 .  6.000 5.192 5.069 5.269     .  0 0 "[    .    1    .    2]" 3 
        604 1 31 ASN QD  1 35 THR HB   6.170 .  6.670 2.897 2.720 3.012     .  0 0 "[    .    1    .    2]" 3 
        605 1 35 THR HB  1 36 TYR QD   8.420 .  8.920 5.504 5.251 6.196     .  0 0 "[    .    1    .    2]" 3 
        606 1 35 THR HB  1 50 HIS H    7.500 .  8.000 5.283 5.117 5.683     .  0 0 "[    .    1    .    2]" 3 
        607 1 35 THR HB  1 36 TYR H    3.500 .  4.000 2.259 2.206 2.329     .  0 0 "[    .    1    .    2]" 3 
        608 1 35 THR HB  1 48 VAL H    5.500 .  6.000 3.817 3.755 3.918     .  0 0 "[    .    1    .    2]" 3 
        609 1 35 THR MG  1 36 TYR H    6.070 .  6.570 3.500 3.371 3.564     .  0 0 "[    .    1    .    2]" 3 
        610 1 35 THR MG  1 50 HIS H    6.610 .  7.110 3.712 3.556 3.942     .  0 0 "[    .    1    .    2]" 3 
        611 1 34 GLY H   1 35 THR MG   6.610 .  7.110 3.826 3.692 4.079     .  0 0 "[    .    1    .    2]" 3 
        612 1 35 THR MG  1 49 LYS HA   4.200 .  4.700 2.349 2.264 2.526     .  0 0 "[    .    1    .    2]" 3 
        613 1 35 THR MG  1 36 TYR QB   7.410 .  7.910 4.959 4.860 5.030     .  0 0 "[    .    1    .    2]" 3 
        614 1 35 THR MG  1 49 LYS QD   6.810 .  7.310 2.282 2.209 2.620     .  0 0 "[    .    1    .    2]" 3 
        615 1 35 THR MG  1 49 LYS QG   6.070 .  6.570 2.295 2.222 2.640     .  0 0 "[    .    1    .    2]" 3 
        616 1 35 THR HA  1 36 TYR H    4.500 .  5.000 2.440 2.362 2.469     .  0 0 "[    .    1    .    2]" 3 
        617 1 35 THR HA  1 50 HIS H    5.500 .  6.000 3.004 2.825 3.317     .  0 0 "[    .    1    .    2]" 3 
        618 1 35 THR HA  1 49 LYS HA   4.500 .  5.000 2.154 2.114 2.218     .  0 0 "[    .    1    .    2]" 3 
        619 1 35 THR HA  1 36 TYR QD   8.420 .  8.920 3.736 3.383 4.948     .  0 0 "[    .    1    .    2]" 3 
        620 1 36 TYR HA  1 48 VAL H    5.500 .  6.000 4.804 4.761 4.838     .  0 0 "[    .    1    .    2]" 3 
        621 1 30 VAL H   1 36 TYR HA   5.500 .  6.000 4.863 4.783 4.950     .  0 0 "[    .    1    .    2]" 3 
        622 1 29 ALA H   1 36 TYR HA   5.500 .  6.000 4.898 4.832 5.044     .  0 0 "[    .    1    .    2]" 3 
        623 1 31 ASN H   1 36 TYR HA   4.500 .  5.000 3.371 3.146 3.663     .  0 0 "[    .    1    .    2]" 3 
        624 1 31 ASN QD  1 36 TYR HA   6.610 .  7.110 3.882 3.677 4.103     .  0 0 "[    .    1    .    2]" 3 
        625 1 36 TYR HA  1 36 TYR HD1  4.500 .  5.000 3.055 2.947 3.258     .  0 0 "[    .    1    .    2]" 3 
        626 1 31 ASN QD  1 36 TYR HA   6.170 .  6.670 4.034 3.776 4.321     .  0 0 "[    .    1    .    2]" 3 
        627 1 29 ALA HA  1 36 TYR HA   6.170 .  6.670 5.297 5.254 5.336     .  0 0 "[    .    1    .    2]" 3 
        628 1 30 VAL HA  1 36 TYR HA   4.500 .  5.000 2.328 2.221 2.425     .  0 0 "[    .    1    .    2]" 3 
        629 1 36 TYR HA  1 37 THR HB   5.500 .  6.000 4.927 4.849 4.974     .  0 0 "[    .    1    .    2]" 3 
        630 1 29 ALA MB  1 36 TYR HA   6.930 .  7.430 4.417 4.288 4.615     .  0 0 "[    .    1    .    2]" 3 
        631 1  9 ILE QG  1 36 TYR HA   8.200 .  8.700 4.321 4.193 4.419     .  0 0 "[    .    1    .    2]" 3 
        632 1 27 VAL QG  1 36 TYR HA   7.410 .  7.910 4.401 4.171 4.785     .  0 0 "[    .    1    .    2]" 3 
        633 1 30 VAL QG  1 36 TYR HA   7.410 .  7.910 3.233 2.907 3.423     .  0 0 "[    .    1    .    2]" 3 
        634 1 36 TYR HA  1 53 VAL QG   7.410 .  7.910 4.367 4.304 4.458     .  0 0 "[    .    1    .    2]" 3 
        635 1 36 TYR HA  1 38 VAL QG   7.410 .  7.910 4.387 4.250 4.687     .  0 0 "[    .    1    .    2]" 3 
        636 1 36 TYR QB  1 48 VAL H    6.170 .  6.670 3.406 3.322 3.512     .  0 0 "[    .    1    .    2]" 3 
        637 1 31 ASN H   1 36 TYR QB   6.930 .  7.430 5.011 4.510 5.245     .  0 0 "[    .    1    .    2]" 3 
        638 1 35 THR HA  1 36 TYR QB   6.170 .  6.670 3.544 3.391 3.616     .  0 0 "[    .    1    .    2]" 3 
        639 1 34 GLY QA  1 36 TYR QB   7.410 .  7.910 4.350 4.298 4.393     .  0 0 "[    .    1    .    2]" 3 
        640 1 30 VAL HA  1 36 TYR QB   6.170 .  6.670 4.417 4.346 4.478     .  0 0 "[    .    1    .    2]" 3 
        641 1 36 TYR QB  1 48 VAL QG   8.320 .  8.820 2.353 2.172 2.578     .  0 0 "[    .    1    .    2]" 3 
        642 1 30 VAL QG  1 36 TYR QB   7.640 .  8.140 2.338 2.162 2.553     .  0 0 "[    .    1    .    2]" 3 
        643 1 36 TYR QB  1 53 VAL QG   8.320 .  8.820 2.207 2.155 2.299     .  0 0 "[    .    1    .    2]" 3 
        644 1 36 TYR QB  1 38 VAL QG   6.810 .  7.310 2.637 2.483 3.381     .  0 0 "[    .    1    .    2]" 3 
        645 1 13 VAL QG  1 36 TYR QB   9.340 .  9.840 2.619 2.468 3.334     .  0 0 "[    .    1    .    2]" 3 
        646 1 37 THR HA  1 48 VAL H    4.500 .  5.000 3.457 3.408 3.533     .  0 0 "[    .    1    .    2]" 3 
        647 1 37 THR HA  1 38 VAL H    3.500 .  4.000 2.234 2.212 2.249     .  0 0 "[    .    1    .    2]" 3 
        648 1 37 THR HA  1 47 THR H    5.500 .  6.000 4.752 4.639 4.802     .  0 0 "[    .    1    .    2]" 3 
        649 1 29 ALA H   1 37 THR HA   5.500 .  6.000 4.529 4.474 4.578     .  0 0 "[    .    1    .    2]" 3 
        650 1 31 ASN QD  1 37 THR HA   6.930 .  7.430 5.023 4.731 5.450     .  0 0 "[    .    1    .    2]" 3 
        651 1 37 THR HA  1 47 THR HA       . .  4.000 2.245 2.166 2.290     .  0 0 "[    .    1    .    2]" 3 
        652 1 35 THR HA  1 37 THR HA   6.170 .  6.670 5.289 5.170 5.334     .  0 0 "[    .    1    .    2]" 3 
        653 1 37 THR HA  1 47 THR HB   5.500 .  6.000 5.129 4.892 5.199     .  0 0 "[    .    1    .    2]" 3 
        654 1 29 ALA MB  1 37 THR HA   6.930 .  7.430 4.383 4.315 4.462     .  0 0 "[    .    1    .    2]" 3 
        655 1 37 THR HA  1 48 VAL QG   7.410 .  7.910 3.373 3.138 3.478     .  0 0 "[    .    1    .    2]" 3 
        656 1 37 THR HA  1 45 VAL MG1  6.610 .  7.110 4.617 4.486 4.746     .  0 0 "[    .    1    .    2]" 3 
        657 1 37 THR HA  1 38 VAL QG       . .  6.570 3.185 3.103 3.247     .  0 0 "[    .    1    .    2]" 3 
        658 1 28 THR H   1 37 THR HB   5.500 .  6.000 3.690 3.600 3.771     .  0 0 "[    .    1    .    2]" 3 
        659 1 37 THR HB  1 38 VAL H    5.500 .  6.000 3.969 3.899 4.058     .  0 0 "[    .    1    .    2]" 3 
        660 1 30 VAL H   1 37 THR HB   5.500 .  6.000 5.341 5.168 5.479     .  0 0 "[    .    1    .    2]" 3 
        661 1 29 ALA H   1 37 THR HB   4.500 .  5.000 2.458 2.389 2.526     .  0 0 "[    .    1    .    2]" 3 
        662 1 31 ASN QD  1 37 THR HB   6.170 .  6.670 4.885 4.583 5.069     .  0 0 "[    .    1    .    2]" 3 
        663 1 37 THR HB  1 47 THR HA   5.500 .  6.000 4.747 4.660 4.833     .  0 0 "[    .    1    .    2]" 3 
        664 1 28 THR HA  1 37 THR HB   5.500 .  6.000 5.132 5.035 5.291     .  0 0 "[    .    1    .    2]" 3 
        665 1 29 ALA HA  1 37 THR HB   5.500 .  6.000 4.320 4.250 4.399     .  0 0 "[    .    1    .    2]" 3 
        666 1 28 THR HB  1 37 THR HB   5.500 .  6.000 4.098 3.983 4.306     .  0 0 "[    .    1    .    2]" 3 
        667 1 30 VAL HA  1 37 THR HB   5.500 .  6.000 5.491 5.268 5.545     .  0 0 "[    .    1    .    2]" 3 
        668 1 37 THR HB  1 45 VAL MG1  6.610 .  7.110 4.731 4.576 4.833     .  0 0 "[    .    1    .    2]" 3 
        669 1 37 THR HB  1 38 VAL QG   7.410 .  7.910 4.558 4.520 4.603     .  0 0 "[    .    1    .    2]" 3 
        670 1 28 THR H   1 37 THR MG   6.610 .  7.110 4.223 4.073 4.277     .  0 0 "[    .    1    .    2]" 3 
        671 1 37 THR MG  1 38 VAL H    5.400 .  5.900 2.588 2.497 2.682     .  0 0 "[    .    1    .    2]" 3 
        672 1 26 LYS H   1 28 THR MG   7.790 .  8.290 3.675 3.592 3.712     .  0 0 "[    .    1    .    2]" 3 
        673 1 37 THR MG  1 38 VAL HA   6.070 .  6.570 3.881 3.756 3.963     .  0 0 "[    .    1    .    2]" 3 
        674 1 37 THR MG  1 45 VAL HB   6.610 .  7.110 4.969 4.763 5.092     .  0 0 "[    .    1    .    2]" 3 
        675 1 29 ALA MB  1 37 THR MG   6.810 .  7.310 3.317 3.222 3.358     .  0 0 "[    .    1    .    2]" 3 
        676 1 37 THR MG  1 45 VAL MG1  4.040 .  4.540 2.580 2.462 2.678     .  0 0 "[    .    1    .    2]" 3 
        677 1 28 THR H   1 38 VAL HA   4.500 .  5.000 2.384 2.300 2.510     .  0 0 "[    .    1    .    2]" 3 
        678 1 13 VAL H   1 38 VAL HA   6.610 .  7.110 4.276 4.233 4.339     .  0 0 "[    .    1    .    2]" 3 
        679 1 38 VAL HA  1 39 LYS H    3.500 .  4.000 2.267 2.216 2.310     .  0 0 "[    .    1    .    2]" 3 
        680 1 27 VAL H   1 38 VAL HA   5.500 .  6.000 4.915 4.866 4.962     .  0 0 "[    .    1    .    2]" 3 
        681 1 26 LYS H   1 38 VAL HA   5.050 .  5.550 3.823 3.778 3.890     .  0 0 "[    .    1    .    2]" 3 
        682 1 37 THR HA  1 38 VAL HA   5.050 .  5.550 3.994 3.982 4.003     .  0 0 "[    .    1    .    2]" 3 
        683 1 27 VAL HB  1 38 VAL HA   5.500 .  6.000 5.512 5.442 5.540     .  0 0 "[    .    1    .    2]" 3 
        684 1  9 ILE QG  1 38 VAL HA  10.610 . 11.110 5.382 5.307 5.527     .  0 0 "[    .    1    .    2]" 3 
        685 1 28 THR MG  1 38 VAL HA   6.360 .  6.860 2.902 2.814 3.093     .  0 0 "[    .    1    .    2]" 3 
        686 1 27 VAL QG  1 38 VAL HA   7.410 .  7.910 3.859 3.830 3.898     .  0 0 "[    .    1    .    2]" 3 
        687 1 25 ALA MB  1 38 VAL HA   6.490 .  6.990 3.563 3.507 3.610     .  0 0 "[    .    1    .    2]" 3 
        688 1 28 THR H   1 38 VAL HB   6.170 .  6.670 4.365 4.286 4.429     .  0 0 "[    .    1    .    2]" 3 
        689 1 13 VAL H   1 38 VAL HB   6.610 .  7.110 4.771 4.710 4.834     .  0 0 "[    .    1    .    2]" 3 
        690 1 38 VAL HB  1 39 LYS H    4.500 .  5.000 2.649 2.497 2.822     .  0 0 "[    .    1    .    2]" 3 
        691 1 26 LYS H   1 38 VAL HB   6.170 .  6.670 3.854 3.667 4.121     .  0 0 "[    .    1    .    2]" 3 
        692 1 25 ALA HA  1 38 VAL HB   7.500 .  8.000 4.832 4.724 4.910     .  0 0 "[    .    1    .    2]" 3 
        693 1 38 VAL HB  1 39 LYS HA   5.500 .  6.000 4.481 4.399 4.555     .  0 0 "[    .    1    .    2]" 3 
        694 1 27 VAL QG  1 38 VAL HB   7.410 .  7.910 4.539 4.435 4.672     .  0 0 "[    .    1    .    2]" 3 
        695 1 28 THR H   1 38 VAL QG   7.640 .  8.140 3.198 3.132 3.291     .  0 0 "[    .    1    .    2]" 3 
        696 1 38 VAL QG  1 48 VAL H    7.410 .  7.910 4.299 4.163 4.516     .  0 0 "[    .    1    .    2]" 3 
        697 1 36 TYR H   1 38 VAL QG   7.640 .  8.140 3.332 3.262 3.491     .  0 0 "[    .    1    .    2]" 3 
        698 1 38 VAL QG  1 39 LYS H    6.070 .  6.570 3.313 3.234 3.356     .  0 0 "[    .    1    .    2]" 3 
        699 1 27 VAL H   1 38 VAL QG   7.410 .  7.910 4.180 4.043 4.327     .  0 0 "[    .    1    .    2]" 3 
        700 1 26 LYS H   1 38 VAL QG       . .  8.820 3.771 3.712 3.858     .  0 0 "[    .    1    .    2]" 3 
        701 1 36 TYR HE1 1 38 VAL QG       . .  8.820 3.339 2.561 3.656     .  0 0 "[    .    1    .    2]" 3 
        702 1 36 TYR QD  1 38 VAL QG       . .  9.400 2.685 2.192 2.986     .  0 0 "[    .    1    .    2]" 3 
        703 1 15 ALA HA  1 38 VAL QG   7.410 .  7.910 3.906 3.831 4.020     .  0 0 "[    .    1    .    2]" 3 
        704 1 14 LEU HA  1 38 VAL QG       . .  8.820 4.312 4.156 4.443     .  0 0 "[    .    1    .    2]" 3 
        705 1 25 ALA HA  1 38 VAL QG   9.340 .  9.840 4.374 4.323 4.444     .  0 0 "[    .    1    .    2]" 3 
        706 1 13 VAL HA  1 38 VAL QG   7.410 .  7.910 5.524 5.511 5.538     .  0 0 "[    .    1    .    2]" 3 
        707 1 28 THR MG  1 38 VAL QG       . .  7.640 2.301 2.150 2.571     .  0 0 "[    .    1    .    2]" 3 
        708 1 38 VAL QG  1 48 VAL QG   6.360 .  6.860 2.330 2.167 2.637     .  0 0 "[    .    1    .    2]" 3 
        709 1 25 ALA MB  1 38 VAL QG       . .  5.940 2.379 2.325 2.420     .  0 0 "[    .    1    .    2]" 3 
        710 1 38 VAL QG  1 53 VAL QG   8.180 .  8.680 2.079 1.920 2.231     .  0 0 "[    .    1    .    2]" 3 
        711 1 13 VAL H   1 38 VAL QG   5.300 .  5.800 3.153 3.092 3.224     .  0 0 "[    .    1    .    2]" 3 
        712 1 14 LEU H   1 38 VAL QG   7.410 .  7.910 5.243 5.047 5.357     .  0 0 "[    .    1    .    2]" 3 
        713 1 38 VAL QG  1 47 THR HA   7.410 .  7.910 4.148 3.909 4.280     .  0 0 "[    .    1    .    2]" 3 
        714 1 38 VAL QG  1 46 GLN QG   8.320 .  8.820 2.256 2.133 2.585     .  0 0 "[    .    1    .    2]" 3 
        715 1 38 VAL QG  1 46 GLN QB   6.810 .  7.310 4.014 3.909 4.273     .  0 0 "[    .    1    .    2]" 3 
        716 1 13 VAL HB  1 38 VAL QG   5.670 .  6.170 3.454 3.353 3.545     .  0 0 "[    .    1    .    2]" 3 
        717 1 39 LYS HA  1 40 PHE H    3.500 .  4.000 2.176 2.154 2.217     .  0 0 "[    .    1    .    2]" 3 
        718 1 39 LYS HA  1 46 GLN H    5.500 .  6.000 3.889 3.786 4.001     .  0 0 "[    .    1    .    2]" 3 
        719 1 39 LYS HA  1 45 VAL H    5.500 .  6.000 4.769 4.739 4.800     .  0 0 "[    .    1    .    2]" 3 
        720 1 39 LYS HA  1 40 PHE QD   6.170 .  6.670 4.212 3.667 4.586     .  0 0 "[    .    1    .    2]" 3 
        721 1 39 LYS HA  1 45 VAL HA   4.500 .  5.000 2.269 2.202 2.343     .  0 0 "[    .    1    .    2]" 3 
        722 1 39 LYS HA  1 40 PHE HA   5.500 .  6.000 4.490 4.475 4.502     .  0 0 "[    .    1    .    2]" 3 
        723 1 39 LYS HA  1 40 PHE QB   6.170 .  6.670 4.366 4.298 4.474     .  0 0 "[    .    1    .    2]" 3 
        724 1 39 LYS HA  1 45 VAL HB   5.500 .  6.000 4.799 4.721 4.924     .  0 0 "[    .    1    .    2]" 3 
        725 1 39 LYS HA  1 45 VAL MG2  5.400 .  5.900 2.550 2.411 2.719     .  0 0 "[    .    1    .    2]" 3 
        726 1 39 LYS HA  1 45 VAL MG1  5.400 .  5.900 3.215 3.007 3.382     .  0 0 "[    .    1    .    2]" 3 
        727 1 25 ALA MB  1 39 LYS HA   5.400 .  5.900 4.446 4.336 4.509     .  0 0 "[    .    1    .    2]" 3 
        728 1 38 VAL QG  1 39 LYS HA   7.410 .  7.910 3.903 3.738 4.113     .  0 0 "[    .    1    .    2]" 3 
        729 1 28 THR H   1 39 LYS QB       . .  7.430 3.696 3.662 3.731     .  0 0 "[    .    1    .    2]" 3 
        730 1 26 LYS H   1 39 LYS QB       . .  7.430 3.663 3.565 3.748     .  0 0 "[    .    1    .    2]" 3 
        731 1 26 LYS HA  1 39 LYS QB   8.900 .  9.400 3.385 3.331 3.436     .  0 0 "[    .    1    .    2]" 3 
        732 1 38 VAL HA  1 39 LYS QB   6.930 .  7.430 3.427 3.371 3.489     .  0 0 "[    .    1    .    2]" 3 
        733 1 26 LYS QG  1 39 LYS QB   8.730 .  9.230 3.582 2.660 3.874     .  0 0 "[    .    1    .    2]" 3 
        734 1 39 LYS QB  1 45 VAL MG2  6.070 .  6.570 2.329 2.298 2.364     .  0 0 "[    .    1    .    2]" 3 
        735 1 39 LYS QB  1 45 VAL MG1  7.410 .  7.910 2.995 2.822 3.099     .  0 0 "[    .    1    .    2]" 3 
        736 1 54 LYS QG  1 55 ALA H    6.930 .  7.430 3.427 3.207 3.619     .  0 0 "[    .    1    .    2]" 3 
        737 1 22 PHE HE1 1 54 LYS QG   8.320 .  8.820 3.787 3.193 4.898     .  0 0 "[    .    1    .    2]" 3 
        738 1 14 LEU QD  1 54 LYS QG   9.820 . 10.320 2.876 2.508 3.147     .  0 0 "[    .    1    .    2]" 3 
        739 1 39 LYS QD  1 41 TYR HD1  8.420 .  8.920 6.034 5.542 6.980     .  0 0 "[    .    1    .    2]" 3 
        740 1 39 LYS QD  1 42 ASP H    8.420 .  8.920 7.316 7.124 7.469     .  0 0 "[    .    1    .    2]" 3 
        741 1 25 ALA HA  1 39 LYS QD   8.420 .  8.920 7.106 6.928 7.297     .  0 0 "[    .    1    .    2]" 3 
        742 1 25 ALA MB  1 39 LYS QD  10.110 . 10.610 6.268 6.188 6.365     .  0 0 "[    .    1    .    2]" 3 
        743 1 39 LYS QE  1 43 GLY QA   6.360 .  6.860 2.577 2.377 2.727     .  0 0 "[    .    1    .    2]" 3 
        744 1 25 ALA H   1 40 PHE HA   5.500 .  6.000 5.423 5.258 5.538     .  0 0 "[    .    1    .    2]" 3 
        745 1 40 PHE HA  1 41 TYR H    4.500 .  5.000 2.304 2.248 2.357     .  0 0 "[    .    1    .    2]" 3 
        746 1 26 LYS H   1 40 PHE HA   5.500 .  6.000 3.501 3.381 3.648     .  0 0 "[    .    1    .    2]" 3 
        747 1 25 ALA MB  1 40 PHE HA   5.400 .  5.900 2.816 2.611 2.938     .  0 0 "[    .    1    .    2]" 3 
        748 1 40 PHE HA  1 42 ASP H    5.500 .  6.000 4.254 4.156 4.344     .  0 0 "[    .    1    .    2]" 3 
        749 1 41 TYR HA  1 43 GLY H    5.500 .  6.000 3.732 3.538 3.875     .  0 0 "[    .    1    .    2]" 3 
        750 1 41 TYR HA  1 42 ASP H    5.500 .  6.000 3.515 3.492 3.549     .  0 0 "[    .    1    .    2]" 3 
        751 1 40 PHE HA  1 41 TYR HA   5.500 .  6.000 4.283 4.232 4.345     .  0 0 "[    .    1    .    2]" 3 
        752 1 25 ALA MB  1 41 TYR HA   9.010 .  9.510 6.092 5.893 6.227     .  0 0 "[    .    1    .    2]" 3 
        753 1 41 TYR QB  1 42 ASP H    6.930 .  7.430 2.957 2.799 3.052     .  0 0 "[    .    1    .    2]" 3 
        754 1 40 PHE HA  1 41 TYR QB   6.930 .  7.430 4.708 4.660 4.759     .  0 0 "[    .    1    .    2]" 3 
        755 1 24 PRO QG  1 41 TYR QB   9.990 . 10.490 4.072 3.950 4.138     .  0 0 "[    .    1    .    2]" 3 
        756 1 42 ASP HA  1 43 GLY H    4.500 .  5.000 3.513 3.476 3.547     .  0 0 "[    .    1    .    2]" 3 
        757 1 63 VAL QG  1 66 ALA HA   7.410 .  7.910 5.315 4.783 5.569     .  0 0 "[    .    1    .    2]" 3 
        758 1 51 ILE HB  1 52 HIS HD2  5.500 .  6.000 4.104 4.016 4.335     .  0 0 "[    .    1    .    2]" 3 
        759 1 51 ILE HB  1 52 HIS H    5.500 .  6.000 4.270 4.202 4.318     .  0 0 "[    .    1    .    2]" 3 
        760 1 42 ASP H   1 43 GLY QA   6.170 .  6.670 4.626 4.606 4.648     .  0 0 "[    .    1    .    2]" 3 
        761 1 43 GLY QA  1 44 VAL H    6.170 .  6.670 2.902 2.651 2.962     .  0 0 "[    .    1    .    2]" 3 
        762 1 43 GLY QA  1 44 VAL HA   6.170 .  6.670 4.136 4.091 4.163     .  0 0 "[    .    1    .    2]" 3 
        763 1 39 LYS QG  1 43 GLY QA   6.930 .  7.430 3.384 3.315 3.447     .  0 0 "[    .    1    .    2]" 3 
        764 1 39 LYS QD  1 43 GLY QA       . .  8.280 3.291 3.219 3.345     .  0 0 "[    .    1    .    2]" 3 
        765 1 43 GLY QA  1 45 VAL MG2  7.410 .  7.910 4.044 3.965 4.133     .  0 0 "[    .    1    .    2]" 3 
        766 1 43 GLY QA  1 44 VAL QG   8.320 .  8.820 3.839 3.539 3.936     .  0 0 "[    .    1    .    2]" 3 
        767 1 40 PHE QB  1 43 GLY QA   8.320 .  8.820 4.541 4.415 4.753     .  0 0 "[    .    1    .    2]" 3 
        768 1 39 LYS HA  1 43 GLY QA   8.420 .  8.920 5.618 5.510 5.727     .  0 0 "[    .    1    .    2]" 3 
        769 1 44 VAL HA  1 45 VAL H    3.500 .  4.000 2.266 2.232 2.302     .  0 0 "[    .    1    .    2]" 3 
        770 1  5 SER QB  1  6 GLU H    6.170 .  6.670 3.516 2.651 3.983     .  0 0 "[    .    1    .    2]" 3 
        771 1  5 SER QB  1  7 PHE HE1  5.670 .  6.170 3.174 2.152 4.510     .  0 0 "[    .    1    .    2]" 3 
        772 1 44 VAL HA  1 45 VAL HA   5.500 .  6.000 4.513 4.482 4.532     .  0 0 "[    .    1    .    2]" 3 
        773 1 68 GLY QA  1 69 SER QB   4.410 .  4.910 3.602 3.548 3.633     .  0 0 "[    .    1    .    2]" 3 
        774 1 44 VAL HA  1 45 VAL HB   4.500 .  5.000 4.535 4.513 4.550     .  0 0 "[    .    1    .    2]" 3 
        775 1 28 THR H   1 44 VAL QG   9.340 .  9.840 3.918 3.845 3.997     .  0 0 "[    .    1    .    2]" 3 
        776 1 38 VAL H   1 53 VAL QG       . .  7.310 2.389 2.255 2.448     .  0 0 "[    .    1    .    2]" 3 
        777 1 36 TYR H   1 53 VAL QG  10.690 . 11.190 3.552 3.489 3.711     .  0 0 "[    .    1    .    2]" 3 
        778 1 44 VAL QG  1 45 VAL H    6.070 .  6.570 2.440 2.380 2.531     .  0 0 "[    .    1    .    2]" 3 
        779 1 43 GLY H   1 44 VAL QG   7.410 .  7.910 3.873 3.487 4.004     .  0 0 "[    .    1    .    2]" 3 
        780 1 52 HIS H   1 53 VAL QG   7.410 .  7.910 3.559 3.459 3.715     .  0 0 "[    .    1    .    2]" 3 
        781 1 36 TYR QD  1 53 VAL QG   6.800 .  7.300 2.619 2.441 2.720     .  0 0 "[    .    1    .    2]" 3 
        782 1 50 HIS HA  1 53 VAL QG       . .  6.570 4.067 3.967 4.152     .  0 0 "[    .    1    .    2]" 3 
        783 1 40 PHE QB  1 44 VAL QG   8.320 .  8.820 3.335 3.272 3.420     .  0 0 "[    .    1    .    2]" 3 
        784 1 36 TYR QB  1 53 VAL QG   8.180 .  8.680 2.159 2.091 2.271     .  0 0 "[    .    1    .    2]" 3 
        785 1 44 VAL QG  1 46 GLN QB   6.810 .  7.310 3.380 3.144 3.748     .  0 0 "[    .    1    .    2]" 3 
        786 1  8 GLN QG  1 30 VAL MG2  7.070 .  7.570 3.986 3.513 4.157     .  0 0 "[    .    1    .    2]" 3 
        787 1 40 PHE H   1 45 VAL HA   4.500 .  5.000 3.395 3.283 3.491     .  0 0 "[    .    1    .    2]" 3 
        788 1 45 VAL HA  1 46 GLN H    3.500 .  4.000 2.312 2.292 2.331     .  0 0 "[    .    1    .    2]" 3 
        789 1 38 VAL H   1 45 VAL HA   5.500 .  6.000 4.481 4.392 4.567     .  0 0 "[    .    1    .    2]" 3 
        790 1 39 LYS H   1 45 VAL HA   5.500 .  6.000 4.793 4.766 4.843     .  0 0 "[    .    1    .    2]" 3 
        791 1 40 PHE QD  1 45 VAL HA   5.500 .  6.000 4.144 3.721 4.425     .  0 0 "[    .    1    .    2]" 3 
        792 1 45 VAL HA  1 46 GLN HA   5.500 .  6.000 4.533 4.522 4.548     .  0 0 "[    .    1    .    2]" 3 
        793 1 45 VAL HA  1 46 GLN QB   6.170 .  6.670 4.430 4.388 4.490     .  0 0 "[    .    1    .    2]" 3 
        794 1 39 LYS QD  1 45 VAL HA   6.170 .  6.670 5.132 4.856 5.352     .  0 0 "[    .    1    .    2]" 3 
        795 1 39 LYS QB  1 45 VAL HA   6.170 .  6.670 3.754 3.664 3.862     .  0 0 "[    .    1    .    2]" 3 
        796 1 28 THR MG  1 45 VAL HA   6.610 .  7.110 3.516 3.376 3.654     .  0 0 "[    .    1    .    2]" 3 
        797 1 44 VAL QG  1 45 VAL HA   7.410 .  7.910 3.669 3.586 3.861     .  0 0 "[    .    1    .    2]" 3 
        798 1 38 VAL QG  1 45 VAL HA   7.410 .  7.910 4.034 3.946 4.142     .  0 0 "[    .    1    .    2]" 3 
        799 1 45 VAL HB  1 46 GLN H    5.500 .  6.000 4.035 3.981 4.109     .  0 0 "[    .    1    .    2]" 3 
        800 1 45 VAL H   1 45 VAL HB   3.500 .  4.000 2.704 2.656 2.742     .  0 0 "[    .    1    .    2]" 3 
        801 1 45 VAL HB  1 46 GLN QG   8.420 .  8.920 5.759 5.536 5.860     .  0 0 "[    .    1    .    2]" 3 
        802 1 28 THR MG  1 45 VAL HB   8.070 .  8.570 4.153 4.074 4.214     .  0 0 "[    .    1    .    2]" 3 
        803 1 44 VAL QG  1 45 VAL HB   7.410 .  7.910 4.523 4.461 4.671     .  0 0 "[    .    1    .    2]" 3 
        804 1 46 GLN HA  1 47 THR H    3.500 .  4.000 2.318 2.286 2.373     .  0 0 "[    .    1    .    2]" 3 
        805 1 36 TYR HD2 1 54 LYS HA   5.050 .  5.550 4.060 3.573 4.350     .  0 0 "[    .    1    .    2]" 3 
        806 1 46 GLN HA  1 47 THR HB   5.500 .  6.000 4.891 4.728 4.935     .  0 0 "[    .    1    .    2]" 3 
        807 1 45 VAL MG1 1 46 GLN HA   6.610 .  7.110 3.574 3.426 3.660     .  0 0 "[    .    1    .    2]" 3 
        808 1 47 THR HA  1 48 VAL H    3.500 .  4.000 2.225 2.182 2.272     .  0 0 "[    .    1    .    2]" 3 
        809 1 38 VAL H   1 47 THR HA   4.500 .  5.000 3.797 3.721 3.869     .  0 0 "[    .    1    .    2]" 3 
        810 1 36 TYR H   1 47 THR HA   6.610 .  7.110 4.006 3.932 4.038     .  0 0 "[    .    1    .    2]" 3 
        811 1 31 ASN QD  1 47 THR HA   6.930 .  7.430 4.922 4.721 5.308     .  0 0 "[    .    1    .    2]" 3 
        812 1 31 ASN QD  1 47 THR HA   6.170 .  6.670 5.157 4.942 5.500     .  0 0 "[    .    1    .    2]" 3 
        813 1 47 THR HA  1 48 VAL HA   5.500 .  6.000 4.539 4.525 4.568     .  0 0 "[    .    1    .    2]" 3 
        814 1 27 VAL HA  1 47 THR HA   6.170 .  6.670 4.718 4.635 4.799     .  0 0 "[    .    1    .    2]" 3 
        815 1 36 TYR QB  1 47 THR HA   6.610 .  7.110 4.362 4.257 4.471     .  0 0 "[    .    1    .    2]" 3 
        816 1 46 GLN QB  1 47 THR HA   6.170 .  6.670 4.417 4.307 4.510     .  0 0 "[    .    1    .    2]" 3 
        817 1 29 ALA MB  1 47 THR HA   9.450 .  9.950 5.546 5.438 5.677     .  0 0 "[    .    1    .    2]" 3 
        818 1 47 THR HA  1 48 VAL QG   7.410 .  7.910 3.028 2.952 3.065     .  0 0 "[    .    1    .    2]" 3 
        819 1 45 VAL MG1 1 47 THR HA   6.610 .  7.110 5.149 5.026 5.274     .  0 0 "[    .    1    .    2]" 3 
        820 1 47 THR HB  1 48 VAL H    5.500 .  6.000 3.998 3.853 4.070     .  0 0 "[    .    1    .    2]" 3 
        821 1 38 VAL H   1 47 THR HB   7.500 .  8.000 6.566 6.394 6.655     .  0 0 "[    .    1    .    2]" 3 
        822 1 36 TYR H   1 47 THR HB   6.610 .  7.110 5.476 5.376 5.522     .  0 0 "[    .    1    .    2]" 3 
        823 1 47 THR H   1 47 THR HB   3.500 .  4.000 2.738 2.610 2.814     .  0 0 "[    .    1    .    2]" 3 
        824 1 31 ASN QD  1 47 THR HB   6.170 .  6.670 5.527 5.516 5.536     .  0 0 "[    .    1    .    2]" 3 
        825 1 46 GLN QG  1 47 THR HB   8.420 .  8.920 5.919 5.710 6.217     .  0 0 "[    .    1    .    2]" 3 
        826 1 46 GLN QB  1 47 THR HB   6.170 .  6.670 5.027 4.855 5.104     .  0 0 "[    .    1    .    2]" 3 
        827 1 47 THR HB  1 48 VAL QG   7.410 .  7.910 4.454 4.405 4.569     .  0 0 "[    .    1    .    2]" 3 
        828 1 47 THR MG  1 48 VAL H    5.400 .  5.900 2.632 2.472 2.705     .  0 0 "[    .    1    .    2]" 3 
        829 1 38 VAL H   1 47 THR MG   6.610 .  7.110 5.163 5.027 5.326     .  0 0 "[    .    1    .    2]" 3 
        830 1 36 TYR H   1 47 THR MG   6.070 .  6.570 3.244 3.049 3.314     .  0 0 "[    .    1    .    2]" 3 
        831 1 31 ASN QD  1 47 THR MG   6.070 .  6.570 2.850 2.792 2.942     .  0 0 "[    .    1    .    2]" 3 
        832 1 37 THR HA  1 47 THR MG   5.400 .  5.900 3.349 3.214 3.498     .  0 0 "[    .    1    .    2]" 3 
        833 1 36 TYR QB  1 47 THR MG   7.930 .  8.430 4.366 4.210 4.451     .  0 0 "[    .    1    .    2]" 3 
        834 1 48 VAL HA  1 49 LYS H    3.500 .  4.000 2.653 2.566 2.702     .  0 0 "[    .    1    .    2]" 3 
        835 1 48 VAL HA  1 49 LYS HA   4.500 .  5.000 4.361 4.330 4.410     .  0 0 "[    .    1    .    2]" 3 
        836 1 48 VAL HA  1 49 LYS QD   7.410 .  7.910 3.294 3.178 3.585     .  0 0 "[    .    1    .    2]" 3 
        837 1 48 VAL HA  1 49 LYS QB   6.170 .  6.670 4.551 4.473 4.724     .  0 0 "[    .    1    .    2]" 3 
        838 1 48 VAL HB  1 49 LYS H    4.500 .  5.000 2.198 2.134 2.342     .  0 0 "[    .    1    .    2]" 3 
        839 1 16 SER H   1 48 VAL HB   5.500 .  6.000 5.367 5.106 5.528     .  0 0 "[    .    1    .    2]" 3 
        840 1 48 VAL HB  1 52 HIS H    5.500 .  6.000 4.481 4.395 4.543     .  0 0 "[    .    1    .    2]" 3 
        841 1 48 VAL HB  1 52 HIS HD2  5.500 .  6.000 5.324 5.245 5.509     .  0 0 "[    .    1    .    2]" 3 
        842 1 48 VAL HB  1 49 LYS HA   5.500 .  6.000 4.705 4.641 4.783     .  0 0 "[    .    1    .    2]" 3 
        843 1 48 VAL HB  1 52 HIS QB   5.050 .  5.550 2.137 2.092 2.222     .  0 0 "[    .    1    .    2]" 3 
        844 1 48 VAL HB  1 49 LYS QB   6.170 .  6.670 4.343 4.281 4.450     .  0 0 "[    .    1    .    2]" 3 
        845 1 48 VAL HB  1 53 VAL QG   7.410 .  7.910 3.092 2.688 3.544     .  0 0 "[    .    1    .    2]" 3 
        846 1 38 VAL QG  1 48 VAL HB   7.410 .  7.910 4.644 4.368 5.038     .  0 0 "[    .    1    .    2]" 3 
        847 1 38 VAL H   1 48 VAL QG   7.410 .  7.910 3.690 3.441 3.898     .  0 0 "[    .    1    .    2]" 3 
        848 1 36 TYR H   1 48 VAL QG   7.640 .  8.140 2.915 2.885 2.942     .  0 0 "[    .    1    .    2]" 3 
        849 1 36 TYR HD2 1 48 VAL QG   7.410 .  7.910 4.665 4.366 5.091     .  0 0 "[    .    1    .    2]" 3 
        850 1 35 THR HA  1 48 VAL QG   9.340 .  9.840 4.022 3.924 4.177     .  0 0 "[    .    1    .    2]" 3 
        851 1 49 LYS HA  1 50 HIS H    4.500 .  5.000 2.427 2.388 2.452     .  0 0 "[    .    1    .    2]" 3 
        852 1 36 TYR QD  1 49 LYS HA   9.010 .  9.510 4.537 4.176 5.523     .  0 0 "[    .    1    .    2]" 3 
        853 1 49 LYS HA  1 51 ILE H    5.500 .  6.000 4.379 4.311 4.450     .  0 0 "[    .    1    .    2]" 3 
        854 1 48 VAL HA  1 49 LYS HA   6.170 .  6.670 4.327 4.297 4.374     .  0 0 "[    .    1    .    2]" 3 
        855 1 34 GLY QA  1 49 LYS HA   6.610 .  7.110 3.447 3.302 3.682     .  0 0 "[    .    1    .    2]" 3 
        856 1 49 LYS HA  1 50 HIS QB   6.170 .  6.670 4.278 4.218 4.335     .  0 0 "[    .    1    .    2]" 3 
        857 1 49 LYS QB  1 50 HIS H    6.170 .  6.670 2.477 2.438 2.508     .  0 0 "[    .    1    .    2]" 3 
        858 1 49 LYS QB  1 51 ILE H    6.170 .  6.670 2.594 2.527 2.677     .  0 0 "[    .    1    .    2]" 3 
        859 1 48 VAL HA  1 49 LYS QB       . .  7.430 4.265 4.229 4.349     .  0 0 "[    .    1    .    2]" 3 
        860 1 36 TYR QB  1 49 LYS QB   9.450 .  9.950 5.312 5.029 5.428     .  0 0 "[    .    1    .    2]" 3 
        861 1 36 TYR QB  1 49 LYS QB   7.410 .  7.910 4.157 4.070 4.258     .  0 0 "[    .    1    .    2]" 3 
        862 1 35 THR MG  1 49 LYS QB   8.900 .  9.400 3.413 3.291 3.664     .  0 0 "[    .    1    .    2]" 3 
        863 1 49 LYS QB  1 51 ILE MG       . .  6.570 3.685 3.595 3.733     .  0 0 "[    .    1    .    2]" 3 
        864 1 49 LYS QB  1 51 ILE QG   6.930 .  7.430 2.072 2.047 2.100     .  0 0 "[    .    1    .    2]" 3 
        865 1 49 LYS QB  1 51 ILE MD   7.410 .  7.910 3.139 3.095 3.166     .  0 0 "[    .    1    .    2]" 3 
        866 1 49 LYS QB  1 52 HIS QB   6.930 .  7.430 3.736 3.679 3.794     .  0 0 "[    .    1    .    2]" 3 
        867 1 36 TYR QB  1 49 LYS QG   6.930 .  7.430 5.548 5.538 5.561     .  0 0 "[    .    1    .    2]" 3 
        868 1 36 TYR QB  1 49 LYS QG       . .  7.910 4.216 4.137 4.402     .  0 0 "[    .    1    .    2]" 3 
        869 1 49 LYS QG  1 51 ILE HB   8.420 .  8.920 6.598 6.540 6.682     .  0 0 "[    .    1    .    2]" 3 
        870 1 49 LYS QG  1 51 ILE MG   7.410 .  7.910 5.433 5.326 5.496     .  0 0 "[    .    1    .    2]" 3 
        871 1 50 HIS HA  1 52 HIS H    5.500 .  6.000 3.594 3.501 3.756     .  0 0 "[    .    1    .    2]" 3 
        872 1 50 HIS HA  1 53 VAL H    5.500 .  6.000 3.317 3.059 3.632     .  0 0 "[    .    1    .    2]" 3 
        873 1 36 TYR HD2 1 50 HIS HA   3.930 .  4.430 2.285 2.143 2.392     .  0 0 "[    .    1    .    2]" 3 
        874 1 50 HIS HA  1 51 ILE H    5.500 .  6.000 3.626 3.614 3.638     .  0 0 "[    .    1    .    2]" 3 
        875 1 50 HIS HA  1 53 VAL HB   6.610 .  7.110 3.523 3.394 3.781     .  0 0 "[    .    1    .    2]" 3 
        876 1 35 THR MG  1 50 HIS HA   8.430 .  8.930 4.859 4.645 4.951     .  0 0 "[    .    1    .    2]" 3 
        877 1 48 VAL QG  1 50 HIS HA   7.410 .  7.910 5.394 4.957 5.508     .  0 0 "[    .    1    .    2]" 3 
        878 1 50 HIS QB  1 51 ILE H    6.170 .  6.670 2.748 2.701 2.799     .  0 0 "[    .    1    .    2]" 3 
        879 1 35 THR HA  1 50 HIS QB   6.930 .  7.430 4.140 3.917 4.464     .  0 0 "[    .    1    .    2]" 3 
        880 1 50 HIS QB  1 51 ILE HA   6.170 .  6.670 4.463 4.415 4.516     .  0 0 "[    .    1    .    2]" 3 
        881 1 35 THR HB  1 50 HIS QB   7.780 .  8.280 4.379 4.318 4.428     .  0 0 "[    .    1    .    2]" 3 
        882 1 32 LYS HA  1 50 HIS QB   7.410 .  7.910 3.113 2.894 3.487     .  0 0 "[    .    1    .    2]" 3 
        883 1 49 LYS QB  1 50 HIS QB   6.930 .  7.430 3.704 3.652 3.754     .  0 0 "[    .    1    .    2]" 3 
        884 1 49 LYS QD  1 50 HIS QB   8.730 .  9.230 4.598 4.550 4.660     .  0 0 "[    .    1    .    2]" 3 
        885 1 49 LYS QG  1 50 HIS QB   9.700 . 10.200 4.627 4.555 4.716     .  0 0 "[    .    1    .    2]" 3 
        886 1 49 LYS QG  1 50 HIS QB   6.930 .  7.430 5.248 5.159 5.324     .  0 0 "[    .    1    .    2]" 3 
        887 1 35 THR MG  1 50 HIS QB  10.110 . 10.610 4.780 4.605 5.066     .  0 0 "[    .    1    .    2]" 3 
        888 1 50 HIS QB  1 51 ILE MG   7.410 .  7.910 3.547 3.500 3.604     .  0 0 "[    .    1    .    2]" 3 
        889 1 51 ILE HA  1 52 HIS H    5.500 .  6.000 3.397 3.357 3.470     .  0 0 "[    .    1    .    2]" 3 
        890 1 51 ILE HA  1 53 VAL H    5.500 .  6.000 4.102 3.927 4.247     .  0 0 "[    .    1    .    2]" 3 
        891 1 36 TYR HD2 1 51 ILE HA   6.170 .  6.670 4.811 4.573 4.939     .  0 0 "[    .    1    .    2]" 3 
        892 1 51 ILE HA  1 53 VAL HA   7.500 .  8.000 6.708 6.528 6.774     .  0 0 "[    .    1    .    2]" 3 
        893 1 51 ILE HA  1 54 LYS HA   7.500 .  8.000 7.427 7.136 7.527     .  0 0 "[    .    1    .    2]" 3 
        894 1 49 LYS QG  1 51 ILE HA   7.190 .  7.690 5.324 5.192 5.422     .  0 0 "[    .    1    .    2]" 3 
        895 1 51 ILE QG  1 52 HIS H    6.170 .  6.670 2.999 2.833 3.109     .  0 0 "[    .    1    .    2]" 3 
        896 1 51 ILE QG  1 52 HIS HD2  6.170 .  6.670 3.052 3.004 3.104     .  0 0 "[    .    1    .    2]" 3 
        897 1 48 VAL HA  1 51 ILE QG   7.780 .  8.280 3.993 3.787 4.091     .  0 0 "[    .    1    .    2]" 3 
        898 1 49 LYS QD  1 51 ILE QG   9.990 . 10.490 2.764 2.639 2.837     .  0 0 "[    .    1    .    2]" 3 
        899 1 51 ILE QG  1 52 HIS HA   6.170 .  6.670 4.045 3.814 4.157     .  0 0 "[    .    1    .    2]" 3 
        900 1 51 ILE MD  1 52 HIS H    6.610 .  7.110 4.667 4.521 4.763     .  0 0 "[    .    1    .    2]" 3 
        901 1 51 ILE MD  1 52 HIS HD2  6.610 .  7.110 3.661 3.577 3.735     .  0 0 "[    .    1    .    2]" 3 
        902 1 51 ILE H   1 51 ILE MD   5.400 .  5.900 3.779 3.758 3.798     .  0 0 "[    .    1    .    2]" 3 
        903 1 49 LYS QG  1 51 ILE MD   7.410 .  7.910 4.244 4.217 4.319     .  0 0 "[    .    1    .    2]" 3 
        904 1 50 HIS H   1 51 ILE MG   6.610 .  7.110 4.536 4.488 4.574     .  0 0 "[    .    1    .    2]" 3 
        905 1 51 ILE MG  1 52 HIS H    6.610 .  7.110 4.352 4.328 4.368     .  0 0 "[    .    1    .    2]" 3 
        906 1 50 HIS HE1 1 51 ILE MG   6.610 .  7.110 5.137 4.577 5.504     .  0 0 "[    .    1    .    2]" 3 
        907 1 51 ILE MG  1 52 HIS HE1  9.010 .  9.510 6.202 6.151 6.249     .  0 0 "[    .    1    .    2]" 3 
        908 1 51 ILE MG  1 53 VAL H    6.610 .  7.110 5.460 5.392 5.507     .  0 0 "[    .    1    .    2]" 3 
        909 1 50 HIS HD2 1 51 ILE MG   6.610 .  7.110 5.443 5.317 5.507     .  0 0 "[    .    1    .    2]" 3 
        910 1 51 ILE MG  1 52 HIS HA   6.610 .  7.110 5.601 5.569 5.618     .  0 0 "[    .    1    .    2]" 3 
        911 1 49 LYS HA  1 51 ILE MG   7.410 .  7.910 4.817 4.791 4.841     .  0 0 "[    .    1    .    2]" 3 
        912 1 49 LYS QD  1 51 ILE MG   7.280 .  7.780 4.150 4.048 4.227     .  0 0 "[    .    1    .    2]" 3 
        913 1 49 LYS H   1 52 HIS QB   6.170 .  6.670 2.633 2.531 2.847     .  0 0 "[    .    1    .    2]" 3 
        914 1 16 SER H   1 52 HIS QB   6.170 .  6.670 3.088 2.953 3.190     .  0 0 "[    .    1    .    2]" 3 
        915 1 52 HIS QB  1 53 VAL H    6.170 .  6.670 3.307 3.219 3.373     .  0 0 "[    .    1    .    2]" 3 
        916 1 22 PHE HE1 1 52 HIS QB   6.170 .  6.670 4.273 3.892 4.504     .  0 0 "[    .    1    .    2]" 3 
        917 1 15 ALA MB  1 52 HIS QB   7.410 .  7.910 4.309 4.161 4.414     .  0 0 "[    .    1    .    2]" 3 
        918 1 52 HIS QB  1 53 VAL QG   8.320 .  8.820 2.389 2.272 2.519     .  0 0 "[    .    1    .    2]" 3 
        919 1 16 SER H   1 52 HIS HA   5.500 .  6.000 3.778 3.689 3.897     .  0 0 "[    .    1    .    2]" 3 
        920 1 52 HIS HA  1 53 VAL H    4.500 .  5.000 3.431 3.390 3.483     .  0 0 "[    .    1    .    2]" 3 
        921 1 22 PHE HE1 1 52 HIS HA   5.500 .  6.000 3.090 2.501 3.396     .  0 0 "[    .    1    .    2]" 3 
        922 1 15 ALA HA  1 52 HIS HA   7.500 .  8.000 5.107 5.014 5.203     .  0 0 "[    .    1    .    2]" 3 
        923 1 51 ILE HA  1 52 HIS HA   5.500 .  6.000 4.591 4.549 4.654     .  0 0 "[    .    1    .    2]" 3 
        924 1 51 ILE MG  1 52 HIS HA   7.930 .  8.430 3.979 3.960 4.002     .  0 0 "[    .    1    .    2]" 3 
        925 1 53 VAL HA  1 54 LYS H    4.500 .  5.000 2.218 2.188 2.245     .  0 0 "[    .    1    .    2]" 3 
        926 1 16 SER H   1 53 VAL HA   5.500 .  6.000 3.616 3.541 3.744     .  0 0 "[    .    1    .    2]" 3 
        927 1 22 PHE HD1 1 53 VAL HA   5.500 .  6.000 3.916 3.605 4.557     .  0 0 "[    .    1    .    2]" 3 
        928 1 14 LEU QB  1 53 VAL HA   5.880 .  6.380 3.367 3.322 3.419     .  0 0 "[    .    1    .    2]" 3 
        929 1 53 VAL HA  1 54 LYS QD   6.170 .  6.670 5.522 5.445 5.553     .  0 0 "[    .    1    .    2]" 3 
        930 1 38 VAL H   1 53 VAL HB   6.170 .  6.670 3.975 3.843 4.023     .  0 0 "[    .    1    .    2]" 3 
        931 1 53 VAL HB  1 61 ASN QD   8.420 .  8.920 4.425 3.722 4.933     .  0 0 "[    .    1    .    2]" 3 
        932 1 52 HIS HA  1 53 VAL HB   7.500 .  8.000 5.821 5.798 5.870     .  0 0 "[    .    1    .    2]" 3 
        933 1 50 HIS HA  1 53 VAL HB   5.500 .  6.000 3.557 3.428 3.807     .  0 0 "[    .    1    .    2]" 3 
        934 1 13 VAL HB  1 53 VAL HB   6.610 .  7.110 4.947 4.860 5.063     .  0 0 "[    .    1    .    2]" 3 
        935 1 48 VAL QG  1 53 VAL HB   7.780 .  8.280 3.798 3.626 3.890     .  0 0 "[    .    1    .    2]" 3 
        936 1 48 VAL QG  1 53 VAL HB   7.410 .  7.910 3.855 3.668 3.951     .  0 0 "[    .    1    .    2]" 3 
        937 1 49 LYS QB  1 53 VAL HB   6.930 .  7.430 5.051 4.993 5.135     .  0 0 "[    .    1    .    2]" 3 
        938 1 13 VAL H   1 53 VAL QG   8.320 .  8.820 3.886 3.763 4.200     .  0 0 "[    .    1    .    2]" 3 
        939 1 14 LEU H   1 53 VAL QG   6.070 .  6.570 3.482 3.264 3.574     .  0 0 "[    .    1    .    2]" 3 
        940 1 53 VAL QG  1 61 ASN QD   6.810 .  7.310 3.825 3.408 4.250     .  0 0 "[    .    1    .    2]" 3 
        941 1 22 PHE HA  1 53 VAL QG   8.320 .  8.820 3.287 3.233 3.346     .  0 0 "[    .    1    .    2]" 3 
        942 1 13 VAL HA  1 53 VAL QG   7.410 .  7.910 4.431 4.321 4.550     .  0 0 "[    .    1    .    2]" 3 
        943 1 49 LYS HA  1 53 VAL QG   8.900 .  9.400 3.737 3.658 3.814     .  0 0 "[    .    1    .    2]" 3 
        944 1 27 VAL QG  1 53 VAL QG   9.990 . 10.490 3.312 3.144 3.405     .  0 0 "[    .    1    .    2]" 3 
        945 1 54 LYS QB  1 55 ALA H    5.050 .  5.550 2.264 2.134 2.469     .  0 0 "[    .    1    .    2]" 3 
        946 1 36 TYR HE2 1 54 LYS QB   6.170 .  6.670 5.517 5.210 5.583     .  0 0 "[    .    1    .    2]" 3 
        947 1 22 PHE HE1 1 54 LYS QB   6.930 .  7.430 4.645 4.350 5.133     .  0 0 "[    .    1    .    2]" 3 
        948 1 50 HIS HD2 1 54 LYS QB   6.170 .  6.670 4.150 3.455 4.737     .  0 0 "[    .    1    .    2]" 3 
        949 1 54 LYS H   1 54 LYS QE   6.170 .  6.670 4.699 4.550 4.807     .  0 0 "[    .    1    .    2]" 3 
        950 1 54 LYS QE  1 55 ALA H    6.170 .  6.670 5.370 5.081 5.533     .  0 0 "[    .    1    .    2]" 3 
        951 1 22 PHE HE1 1 54 LYS QE   6.170 .  6.670 4.391 3.662 5.448     .  0 0 "[    .    1    .    2]" 3 
        952 1 54 LYS QE  1 56 PHE HD1  8.420 .  8.920 6.690 6.216 7.332     .  0 0 "[    .    1    .    2]" 3 
        953 1 22 PHE HD1 1 54 LYS QE   6.170 .  6.670 4.626 3.950 5.525     .  0 0 "[    .    1    .    2]" 3 
        954 1 22 PHE HE1 1 54 LYS QE   7.780 .  8.280 4.351 3.655 5.318     .  0 0 "[    .    1    .    2]" 3 
        955 1 54 LYS H   1 55 ALA HA   5.500 .  6.000 5.057 5.004 5.123     .  0 0 "[    .    1    .    2]" 3 
        956 1 55 ALA HA  1 56 PHE H    3.500 .  4.000 2.502 2.462 2.532     .  0 0 "[    .    1    .    2]" 3 
        957 1  7 PHE HE1 1 55 ALA HA   6.070 .  6.570 4.318 4.081 4.454     .  0 0 "[    .    1    .    2]" 3 
        958 1  7 PHE HD2 1 55 ALA HA   5.500 .  6.000 4.181 3.628 4.684     .  0 0 "[    .    1    .    2]" 3 
        959 1 12 GLN HA  1 55 ALA HA   6.170 .  6.670 4.365 4.319 4.416     .  0 0 "[    .    1    .    2]" 3 
        960 1 55 ALA HA  1 56 PHE QB   6.170 .  6.670 4.364 4.304 4.429     .  0 0 "[    .    1    .    2]" 3 
        961 1 55 ALA HA  1 56 PHE QB   6.930 .  7.430 4.273 4.216 4.330     .  0 0 "[    .    1    .    2]" 3 
        962 1 13 VAL HB  1 55 ALA HA   5.500 .  6.000 4.032 3.880 4.141     .  0 0 "[    .    1    .    2]" 3 
        963 1 53 VAL HB  1 55 ALA HA   6.610 .  7.110 4.646 4.591 4.680     .  0 0 "[    .    1    .    2]" 3 
        964 1 54 LYS QG  1 55 ALA HA   6.930 .  7.430 4.755 4.647 4.868     .  0 0 "[    .    1    .    2]" 3 
        965 1 14 LEU QD  1 55 ALA HA   8.900 .  9.400 4.525 4.270 4.695     .  0 0 "[    .    1    .    2]" 3 
        966 1 55 ALA MB  1 56 PHE H    4.200 .  4.700 2.452 2.381 2.514     .  0 0 "[    .    1    .    2]" 3 
        967 1  7 PHE HE1 1 55 ALA MB   7.070 .  7.570 3.568 3.281 3.741     .  0 0 "[    .    1    .    2]" 3 
        968 1  7 PHE HD2 1 55 ALA MB   7.930 .  8.430 2.509 2.330 2.658     .  0 0 "[    .    1    .    2]" 3 
        969 1 56 PHE HA  1 57 SER H    4.500 .  5.000 3.441 2.588 3.560     .  0 0 "[    .    1    .    2]" 3 
        970 1 56 PHE HA  1 57 SER QB   6.170 .  6.670 5.274 5.007 5.391     .  0 0 "[    .    1    .    2]" 3 
        971 1 14 LEU QB  1 56 PHE HA   7.190 .  7.690 3.484 3.346 3.646     .  0 0 "[    .    1    .    2]" 3 
        972 1 14 LEU QB  1 56 PHE HA   6.170 .  6.670 3.698 3.492 3.946     .  0 0 "[    .    1    .    2]" 3 
        973 1 13 VAL H   1 56 PHE QB   6.170 .  6.670 4.483 3.846 5.063     .  0 0 "[    .    1    .    2]" 3 
        974 1 12 GLN QB  1 56 PHE QB   6.930 .  7.430 2.781 2.262 3.279     .  0 0 "[    .    1    .    2]" 3 
        975 1 14 LEU QB  1 56 PHE QB       . .  8.570 3.855 3.771 3.973     .  0 0 "[    .    1    .    2]" 3 
        976 1 57 SER QB  1 59 ASP H    6.170 .  6.670 3.316 3.072 3.584     .  0 0 "[    .    1    .    2]" 3 
        977 1  7 PHE HE1 1 57 SER QB       . .  7.430 4.426 3.801 4.927     .  0 0 "[    .    1    .    2]" 3 
        978 1 54 LYS HA  1 57 SER QB   6.930 .  7.430 4.998 4.649 5.608     .  0 0 "[    .    1    .    2]" 3 
        979 1 57 SER QB  1 59 ASP HA   8.420 .  8.920 5.517 5.196 5.720     .  0 0 "[    .    1    .    2]" 3 
        980 1 57 SER QB  1 58 LYS HA   6.170 .  6.670 4.719 4.612 4.833     .  0 0 "[    .    1    .    2]" 3 
        981 1 54 LYS QE  1 57 SER QB       . .  8.820 5.210 4.740 5.534     .  0 0 "[    .    1    .    2]" 3 
        982 1 57 SER QB  1 60 GLN QB   8.070 .  8.570 4.158 3.770 4.461     .  0 0 "[    .    1    .    2]" 3 
        983 1 57 SER QB  1 62 ILE HB   6.170 .  6.670 5.442 5.020 5.544     .  0 0 "[    .    1    .    2]" 3 
        984 1 54 LYS QD  1 57 SER QB   6.930 .  7.430 5.179 4.155 5.517     .  0 0 "[    .    1    .    2]" 3 
        985 1 55 ALA MB  1 57 SER QB   7.410 .  7.910 2.349 2.256 2.496     .  0 0 "[    .    1    .    2]" 3 
        986 1 57 SER QB  1 62 ILE MD   7.410 .  7.910 2.876 2.467 3.459     .  0 0 "[    .    1    .    2]" 3 
        987 1 78 SER QB  1 79 LYS H    7.780 .  8.280 3.022 2.737 3.809     .  0 0 "[    .    1    .    2]" 3 
        988 1 56 PHE H   1 57 SER QB   6.170 .  6.670 4.616 4.469 4.861     .  0 0 "[    .    1    .    2]" 3 
        989 1 57 SER HA  1 59 ASP H    5.500 .  6.000 4.066 3.826 4.568     .  0 0 "[    .    1    .    2]" 3 
        990 1  7 PHE HE1 1 57 SER HA   6.170 .  6.670 4.438 4.240 4.641     .  0 0 "[    .    1    .    2]" 3 
        991 1 57 SER HA  1 58 LYS HA   4.500 .  5.000 4.360 4.175 4.410     .  0 0 "[    .    1    .    2]" 3 
        992 1 54 LYS QE  1 57 SER HA   6.930 .  7.430 4.207 3.919 4.424     .  0 0 "[    .    1    .    2]" 3 
        993 1 54 LYS QB  1 57 SER HA   7.410 .  7.910 4.124 3.697 4.390     .  0 0 "[    .    1    .    2]" 3 
        994 1 54 LYS QD  1 57 SER HA   7.190 .  7.690 4.243 4.078 4.386     .  0 0 "[    .    1    .    2]" 3 
        995 1 54 LYS QD  1 57 SER HA   7.780 .  8.280 4.366 3.924 5.154     .  0 0 "[    .    1    .    2]" 3 
        996 1 14 LEU QD  1 57 SER HA   8.320 .  8.820 4.924 4.302 5.559     .  0 0 "[    .    1    .    2]" 3 
        997 1 65 ASN HA  1 66 ALA HA   5.500 .  6.000 4.514 4.305 5.364     .  0 0 "[    .    1    .    2]" 3 
        998 1 61 ASN HA  1 64 GLY QA   8.320 .  8.820 4.129 4.063 4.178     .  0 0 "[    .    1    .    2]" 3 
        999 1 65 ASN HA  1 67 ARG QD   6.930 .  7.430 4.945 4.022 6.208     .  0 0 "[    .    1    .    2]" 3 
       1000 1 61 ASN HA  1 62 ILE QG   6.170 .  6.670 3.311 2.979 4.317     .  0 0 "[    .    1    .    2]" 3 
       1001 1 61 ASN HA  1 63 VAL QG   7.410 .  7.910 4.899 4.474 5.508     .  0 0 "[    .    1    .    2]" 3 
       1002 1 61 ASN QB  1 68 GLY H    7.410 .  7.910 4.535 3.526 5.520     .  0 0 "[    .    1    .    2]" 3 
       1003 1 61 ASN QB  1 68 GLY H    6.170 .  6.670 4.891 4.391 5.589     .  0 0 "[    .    1    .    2]" 3 
       1004 1 61 ASN QB  1 62 ILE H    7.410 .  7.910 3.234 2.969 3.542     .  0 0 "[    .    1    .    2]" 3 
       1005 1 61 ASN QB  1 62 ILE H    6.170 .  6.670 3.260 2.975 3.566     .  0 0 "[    .    1    .    2]" 3 
       1006 1 61 ASN QB  1 62 ILE HA   6.170 .  6.670 4.302 4.210 4.412     .  0 0 "[    .    1    .    2]" 3 
       1007 1 61 ASN QB  1 64 GLY QA   8.730 .  9.230 4.032 3.434 5.008     .  0 0 "[    .    1    .    2]" 3 
       1008 1 40 PHE QB  1 42 ASP QB  11.000 . 11.500 3.017 2.653 3.237     .  0 0 "[    .    1    .    2]" 3 
       1009 1 61 ASN QB  1 67 ARG QD  11.000 . 11.500 3.871 2.256 5.928     .  0 0 "[    .    1    .    2]" 3 
       1010 1 61 ASN QB  1 62 ILE QG   6.930 .  7.430 4.609 4.435 4.977     .  0 0 "[    .    1    .    2]" 3 
       1011 1 42 ASP QB  1 79 LYS QG   6.930 .  7.430 5.010 3.674 5.530     .  0 0 "[    .    1    .    2]" 3 
       1012 1 61 ASN QB  1 62 ILE MD   9.340 .  9.840 4.954 4.504 5.125     .  0 0 "[    .    1    .    2]" 3 
       1013 1 61 ASN QB  1 62 ILE MG   7.410 .  7.910 5.553 5.511 5.624     .  0 0 "[    .    1    .    2]" 3 
       1014 1 62 ILE HA  1 63 VAL H    3.500 .  4.000 3.258 2.849 3.645     .  0 0 "[    .    1    .    2]" 3 
       1015 1 62 ILE HB  1 63 VAL H    5.500 .  6.000 3.774 2.406 4.335     .  0 0 "[    .    1    .    2]" 3 
       1016 1 60 GLN H   1 62 ILE QG   6.170 .  6.670 4.820 4.318 5.474     .  0 0 "[    .    1    .    2]" 3 
       1017 1 62 ILE QG  1 63 VAL H    6.170 .  6.670 4.376 4.001 4.685     .  0 0 "[    .    1    .    2]" 3 
       1018 1 75 HIS QB  1 76 LEU HG   6.170 .  6.670 5.147 4.488 5.506     .  0 0 "[    .    1    .    2]" 3 
       1019 1 62 ILE MG  1 63 VAL H    6.610 .  7.110 4.099 3.075 4.433     .  0 0 "[    .    1    .    2]" 3 
       1020 1 63 VAL QG  1 64 GLY QA   8.320 .  8.820 3.221 2.832 3.648     .  0 0 "[    .    1    .    2]" 3 
       1021 1  6 GLU QB  1  8 GLN H    6.170 .  6.670 4.592 3.035 5.606     .  0 0 "[    .    1    .    2]" 3 
       1022 1  6 GLU QB  1  7 PHE H    5.050 .  5.550 3.381 2.851 3.899     .  0 0 "[    .    1    .    2]" 3 
       1023 1  6 GLU QB  1  7 PHE HE1  8.420 .  8.920 7.099 6.312 7.531     .  0 0 "[    .    1    .    2]" 3 
       1024 1  6 GLU QB  1  7 PHE HD1  8.420 .  8.920 6.298 5.470 6.669     .  0 0 "[    .    1    .    2]" 3 
       1025 1  5 SER HA  1  6 GLU QB   6.170 .  6.670 4.606 3.749 5.190     .  0 0 "[    .    1    .    2]" 3 
       1026 1 68 GLY H   1 69 SER HA   7.500 .  8.000 5.511 4.520 6.041     .  0 0 "[    .    1    .    2]" 3 
       1027 1  5 SER HA  1  6 GLU H    3.500 .  4.000 2.623 2.212 3.540     .  0 0 "[    .    1    .    2]" 3 
       1028 1 58 LYS HA  1 59 ASP H    5.050 .  5.550 3.542 3.473 3.597     .  0 0 "[    .    1    .    2]" 3 
       1029 1 56 PHE HE1 1 58 LYS HA   7.500 .  8.000 7.508 7.280 7.584     .  0 0 "[    .    1    .    2]" 3 
       1030 1 58 LYS HA  1 72 HIS HA   5.500 .  6.000 5.413 3.369 5.679     .  0 0 "[    .    1    .    2]" 3 
       1031 1 58 LYS HA  1 59 ASP HA   5.500 .  6.000 4.811 4.679 4.917     .  0 0 "[    .    1    .    2]" 3 
       1032 1 58 LYS QB  1 59 ASP H        . .  7.430 3.198 2.298 3.736     .  0 0 "[    .    1    .    2]" 3 
       1033 1 76 LEU QD  1 80 LYS QG   7.640 .  8.140 3.131 2.173 4.913     .  0 0 "[    .    1    .    2]" 3 
       1034 1 59 ASP HA  1 60 GLN HA   5.500 .  6.000 4.727 4.683 4.783     .  0 0 "[    .    1    .    2]" 3 
       1035 1 59 ASP HA  1 60 GLN QB   6.170 .  6.670 4.957 4.823 5.300     .  0 0 "[    .    1    .    2]" 3 
       1036 1 54 LYS QD  1 59 ASP HA   7.410 .  7.910 3.385 3.149 4.155     .  0 0 "[    .    1    .    2]" 3 
       1037 1 58 LYS QE  1 59 ASP HA   6.930 .  7.430 5.340 4.518 6.209     .  0 0 "[    .    1    .    2]" 3 
       1038 1 46 GLN QG  1 48 VAL HA   7.780 .  8.280 5.213 4.829 5.659     .  0 0 "[    .    1    .    2]" 3 
       1039 1 60 GLN QG  1 68 GLY QA   9.990 . 10.490 3.828 2.244 4.409     .  0 0 "[    .    1    .    2]" 3 
       1040 1 57 SER QB  1 60 GLN QG       . .  8.280 5.955 4.909 6.201     .  0 0 "[    .    1    .    2]" 3 
       1041 1 36 TYR QB  1 46 GLN QG   6.930 .  7.430 5.428 5.280 5.596     .  0 0 "[    .    1    .    2]" 3 
       1042 1 60 GLN QG  1 61 ASN QB   7.780 .  8.280 5.074 4.664 5.839     .  0 0 "[    .    1    .    2]" 3 
       1043 1 46 GLN QG  1 48 VAL QG   8.320 .  8.820 2.274 2.127 2.562     .  0 0 "[    .    1    .    2]" 3 
       1044 1 25 ALA MB  1 46 GLN QG   7.410 .  7.910 4.973 4.739 5.362     .  0 0 "[    .    1    .    2]" 3 
       1045 1 80 LYS HA  1 81 GLY H    5.500 .  6.000 2.922 2.276 3.592     .  0 0 "[    .    1    .    2]" 3 
       1046 1 76 LEU QB  1 80 LYS HA   6.170 .  6.670 5.377 4.520 5.578     .  0 0 "[    .    1    .    2]" 3 
       1047 1 71 ALA HA  1 72 HIS QB   6.170 .  6.670 4.273 4.037 4.857     .  0 0 "[    .    1    .    2]" 3 
       1048 1  7 PHE HE1 1 71 ALA MB   7.410 .  7.910 5.127 3.398 5.544     .  0 0 "[    .    1    .    2]" 3 
       1049 1 71 ALA MB  1 72 HIS HA   6.610 .  7.110 4.027 3.836 4.521     .  0 0 "[    .    1    .    2]" 3 
       1050 1 74 SER HA  1 76 LEU QB   8.420 .  8.920 5.044 4.237 7.243     .  0 0 "[    .    1    .    2]" 3 
       1051 1 56 PHE HE1 1 76 LEU QB   6.170 .  6.670 5.157 3.379 5.542     .  0 0 "[    .    1    .    2]" 3 
       1052 1 30 VAL H   1 63 VAL QG   7.410 .  7.910 5.522 5.231 5.590     .  0 0 "[    .    1    .    2]" 3 
       1053 1 63 VAL QG  1 64 GLY H    6.070 .  6.570 2.406 1.736 3.315 0.064 16 0 "[    .    1    .    2]" 3 
       1054 1 31 ASN H   1 63 VAL QG   7.410 .  7.910 5.493 5.268 5.572     .  0 0 "[    .    1    .    2]" 3 
       1055 1 36 TYR HH  1 63 VAL QG   7.410 .  7.910 2.182 1.914 2.672     .  0 0 "[    .    1    .    2]" 3 
       1056 1  8 GLN HA  1 63 VAL QG   6.070 .  6.570 2.703 2.250 3.170     .  0 0 "[    .    1    .    2]" 3 
       1057 1 55 ALA HA  1 63 VAL QG   7.410 .  7.910 4.656 3.834 5.281     .  0 0 "[    .    1    .    2]" 3 
       1058 1  8 GLN QB  1 63 VAL QG   8.320 .  8.820 3.809 3.250 4.319     .  0 0 "[    .    1    .    2]" 3 
       1059 1  6 GLU QB  1 63 VAL QG   8.320 .  8.820 5.126 4.371 5.520     .  0 0 "[    .    1    .    2]" 3 
       1060 1  9 ILE QG  1 63 VAL QG   6.810 .  7.310 4.284 3.416 4.525     .  0 0 "[    .    1    .    2]" 3 
       1061 1 62 ILE QG  1 63 VAL QG   8.320 .  8.820 4.658 4.207 5.225     .  0 0 "[    .    1    .    2]" 3 
       1062 1 27 VAL QG  1 63 VAL QG   9.990 . 10.490 3.278 2.743 3.599     .  0 0 "[    .    1    .    2]" 3 
       1063 1 28 THR H   1 45 VAL MG2  7.410 .  7.910 3.777 3.677 3.910     .  0 0 "[    .    1    .    2]" 3 
       1064 1 28 THR H   1 45 VAL MG1  7.410 .  7.910 4.540 4.377 4.656     .  0 0 "[    .    1    .    2]" 3 
       1065 1 38 VAL H   1 45 VAL MG1  6.610 .  7.110 3.550 3.452 3.671     .  0 0 "[    .    1    .    2]" 3 
       1066 1 45 VAL MG1 1 46 GLN H    5.400 .  5.900 2.485 2.436 2.593     .  0 0 "[    .    1    .    2]" 3 
       1067 1 45 VAL MG2 1 46 GLN H    5.400 .  5.900 4.103 4.057 4.179     .  0 0 "[    .    1    .    2]" 3 
       1068 1 39 LYS H   1 45 VAL MG2  6.610 .  7.110 4.690 4.621 4.787     .  0 0 "[    .    1    .    2]" 3 
       1069 1 44 VAL HA  1 45 VAL MG2  6.610 .  7.110 3.513 3.286 3.589     .  0 0 "[    .    1    .    2]" 3 
       1070 1 39 LYS QD  1 45 VAL MG1  7.410 .  7.910 4.094 3.933 4.217     .  0 0 "[    .    1    .    2]" 3 
       1071 1 28 THR MG  1 45 VAL MG1  4.760 .  5.260 2.449 2.305 2.519     .  0 0 "[    .    1    .    2]" 3 
       1072 1 12 GLN QG  1 25 ALA H    6.170 .  6.670 4.637 4.174 5.529     .  0 0 "[    .    1    .    2]" 3 
       1073 1  7 PHE HE1 1 12 GLN QG   6.170 .  6.670 5.248 4.113 5.564     .  0 0 "[    .    1    .    2]" 3 
       1074 1 12 GLN QG  1 13 VAL HA   6.170 .  6.670 5.571 5.495 5.654     .  0 0 "[    .    1    .    2]" 3 
       1075 1  6 GLU QG  1  7 PHE H    7.410 .  7.910 3.569 2.206 4.046     .  0 0 "[    .    1    .    2]" 3 
       1076 1  6 GLU QG  1  7 PHE HZ   8.420 .  8.920 6.933 6.129 7.507     .  0 0 "[    .    1    .    2]" 3 
       1077 1  6 GLU QG  1  7 PHE HD2  8.320 .  8.820 3.856 2.208 4.507     .  0 0 "[    .    1    .    2]" 3 
       1078 1  5 SER HA  1  6 GLU QG       . .  7.430 4.454 3.411 5.567     .  0 0 "[    .    1    .    2]" 3 
       1079 1  7 PHE HA  1  8 GLN QB   6.170 .  6.670 4.670 4.264 5.002     .  0 0 "[    .    1    .    2]" 3 
       1080 1  8 GLN QB  1  9 ILE QG   6.930 .  7.430 3.653 3.446 3.810     .  0 0 "[    .    1    .    2]" 3 
       1081 1  6 GLU HA  1  7 PHE H    4.200 .  4.700 2.687 2.166 3.198     .  0 0 "[    .    1    .    2]" 3 
       1082 1  6 GLU HA  1  7 PHE HE1  6.610 .  7.110 5.332 4.646 5.607     .  0 0 "[    .    1    .    2]" 3 
       1083 1  6 GLU HA  1  7 PHE HD2  6.610 .  7.110 3.288 2.676 3.635     .  0 0 "[    .    1    .    2]" 3 
       1084 1  6 GLU HA  1  7 PHE HA   5.500 .  6.000 4.855 4.414 5.329     .  0 0 "[    .    1    .    2]" 3 
       1085 1  5 SER HA  1  6 GLU HA   6.610 .  7.110 4.462 4.117 5.112     .  0 0 "[    .    1    .    2]" 3 
       1086 1  6 GLU HA  1  7 PHE QB   6.930 .  7.430 4.341 4.205 4.454     .  0 0 "[    .    1    .    2]" 3 
       1087 1 44 VAL QG  1 46 GLN QG   9.340 .  9.840 2.248 2.111 2.462     .  0 0 "[    .    1    .    2]" 3 
       1088 1 17 TRP HD1 1 46 GLN QG   6.930 .  7.430 4.159 3.990 4.462     .  0 0 "[    .    1    .    2]" 3 
       1089 1 40 PHE QD  1 46 GLN QG   6.930 .  7.430 3.589 3.353 3.775     .  0 0 "[    .    1    .    2]" 3 
       1090 1 46 GLN QG  1 47 THR H    6.170 .  6.670 3.875 3.756 4.089     .  0 0 "[    .    1    .    2]" 3 
       1091 1 29 ALA HA  1 30 VAL HA   4.500 .  5.000 4.526 4.513 4.538     .  0 0 "[    .    1    .    2]" 3 
       1092 1 42 ASP QB  1 43 GLY H    6.170 .  6.670 3.007 2.924 3.120     .  0 0 "[    .    1    .    2]" 3 
       1093 1  5 SER HA  1  7 PHE HE1  6.170 .  6.670 4.095 2.632 5.516     .  0 0 "[    .    1    .    2]" 3 
       1094 1  5 SER HA  1  6 GLU QB   5.670 .  6.170 4.245 3.739 4.614     .  0 0 "[    .    1    .    2]" 3 
       1095 1  5 SER HA  1  6 GLU QG   6.170 .  6.670 4.512 3.413 5.600     .  0 0 "[    .    1    .    2]" 3 
       1096 1 74 SER HA  1 76 LEU QD   7.410 .  7.910 3.844 2.955 5.437     .  0 0 "[    .    1    .    2]" 3 
       1097 1  5 SER HA  1  7 PHE H    5.500 .  6.000 4.465 2.981 5.597     .  0 0 "[    .    1    .    2]" 3 
    stop_

save_



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