NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype subsubtype
469034 1ab3 cing 4-filtered-FRED Wattos check violation distance


data_1ab3


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              743
    _Distance_constraint_stats_list.Viol_count                    3731
    _Distance_constraint_stats_list.Viol_total                    8921.783
    _Distance_constraint_stats_list.Viol_max                      0.529
    _Distance_constraint_stats_list.Viol_rms                      0.0492
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0178
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0920
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       
;
Description of the tags in this list:
*  1 * Administrative tag
*  2 * Administrative tag
*  3 * Administrative tag
*  4 * ID of the restraint list.                                                              
*  5 * Number of restraints in list.                                                          
*  6 * Number of violated restraints (each model violation is used).                          
*  7 * Sum of violations in Angstrom.                                                         
*  8 * Maximum violation of a restraint without averaging in any way.                         
*  9 * Rms of violations over all restraints.                                                 
*  10 * Average violation over all restraints.                                                 
*  11 * Average violation over violated restraints.                                            
           This violation is averaged over only those models in which the restraint is violated.   
           These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).     
*  12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
*  13 * This tag                                                                               

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

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


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

       1  1 PRO  0.748 0.126 15 0 "[    .    1    .    2    . ]" 
       1  2 ILE  2.622 0.157 25 0 "[    .    1    .    2    . ]" 
       1  3 THR  6.732 0.527  1 2 "[+   .    1    .    2    .*]" 
       1  4 LYS  1.577 0.527  1 2 "[+   .    1    .    2    .*]" 
       1  5 GLU 10.227 0.280  1 0 "[    .    1    .    2    . ]" 
       1  6 GLU 27.744 0.390  1 0 "[    .    1    .    2    . ]" 
       1  7 LYS 18.356 0.390  1 0 "[    .    1    .    2    . ]" 
       1  8 GLN  1.860 0.061 15 0 "[    .    1    .    2    . ]" 
       1  9 LYS  2.118 0.170 10 0 "[    .    1    .    2    . ]" 
       1 10 VAL  4.118 0.132  1 0 "[    .    1    .    2    . ]" 
       1 11 ILE 16.605 0.429 12 0 "[    .    1    .    2    . ]" 
       1 12 GLN 12.863 0.429 12 0 "[    .    1    .    2    . ]" 
       1 13 GLU  6.309 0.145  6 0 "[    .    1    .    2    . ]" 
       1 14 PHE  8.249 0.127 14 0 "[    .    1    .    2    . ]" 
       1 15 ALA  3.503 0.091  2 0 "[    .    1    .    2    . ]" 
       1 16 ARG  3.748 0.219 23 0 "[    .    1    .    2    . ]" 
       1 17 PHE  7.739 0.219 23 0 "[    .    1    .    2    . ]" 
       1 18 PRO  0.000 0.000  . 0 "[    .    1    .    2    . ]" 
       1 19 GLY  0.000 0.000  . 0 "[    .    1    .    2    . ]" 
       1 20 ASP  9.166 0.427  6 0 "[    .    1    .    2    . ]" 
       1 21 THR 11.336 0.427  6 0 "[    .    1    .    2    . ]" 
       1 22 GLY  0.762 0.086 11 0 "[    .    1    .    2    . ]" 
       1 23 SER  2.471 0.123  9 0 "[    .    1    .    2    . ]" 
       1 24 THR  0.018 0.018  6 0 "[    .    1    .    2    . ]" 
       1 25 GLU  1.827 0.113  6 0 "[    .    1    .    2    . ]" 
       1 26 VAL  3.502 0.085  8 0 "[    .    1    .    2    . ]" 
       1 27 GLN  5.258 0.135 16 0 "[    .    1    .    2    . ]" 
       1 28 VAL  4.611 0.192 18 0 "[    .    1    .    2    . ]" 
       1 29 ALA  7.119 0.094  7 0 "[    .    1    .    2    . ]" 
       1 30 LEU  7.910 0.135 16 0 "[    .    1    .    2    . ]" 
       1 31 LEU 11.718 0.192 18 0 "[    .    1    .    2    . ]" 
       1 32 THR  1.569 0.061  3 0 "[    .    1    .    2    . ]" 
       1 33 LEU  1.688 0.050  8 0 "[    .    1    .    2    . ]" 
       1 34 ARG  0.406 0.062 23 0 "[    .    1    .    2    . ]" 
       1 35 ILE  3.585 0.116 11 0 "[    .    1    .    2    . ]" 
       1 36 ASN  2.402 0.072 11 0 "[    .    1    .    2    . ]" 
       1 37 ARG 10.853 0.331 11 0 "[    .    1    .    2    . ]" 
       1 38 LEU 11.548 0.331 11 0 "[    .    1    .    2    . ]" 
       1 39 SER  0.010 0.007 19 0 "[    .    1    .    2    . ]" 
       1 40 GLU  8.618 0.226 11 0 "[    .    1    .    2    . ]" 
       1 41 HIS  9.335 0.226 11 0 "[    .    1    .    2    . ]" 
       1 42 LEU  7.977 0.122 22 0 "[    .    1    .    2    . ]" 
       1 43 LYS 10.099 0.243 19 0 "[    .    1    .    2    . ]" 
       1 44 VAL 10.222 0.243 19 0 "[    .    1    .    2    . ]" 
       1 45 HIS  2.819 0.086 16 0 "[    .    1    .    2    . ]" 
       1 46 LYS  1.455 0.164  9 0 "[    .    1    .    2    . ]" 
       1 47 LYS  0.999 0.125 25 0 "[    .    1    .    2    . ]" 
       1 48 ASP  1.039 0.125 25 0 "[    .    1    .    2    . ]" 
       1 49 HIS  0.267 0.057 18 0 "[    .    1    .    2    . ]" 
       1 50 HIS  4.732 0.200 16 0 "[    .    1    .    2    . ]" 
       1 51 SER  5.851 0.200 16 0 "[    .    1    .    2    . ]" 
       1 52 HIS  0.686 0.086 15 0 "[    .    1    .    2    . ]" 
       1 53 ARG  1.183 0.121 16 0 "[    .    1    .    2    . ]" 
       1 54 GLY  0.000 0.000  . 0 "[    .    1    .    2    . ]" 
       1 55 LEU  5.009 0.161 22 0 "[    .    1    .    2    . ]" 
       1 56 LEU 11.788 0.194  8 0 "[    .    1    .    2    . ]" 
       1 57 MET  3.127 0.116 12 0 "[    .    1    .    2    . ]" 
       1 58 MET  1.056 0.122  4 0 "[    .    1    .    2    . ]" 
       1 59 VAL  1.887 0.073 16 0 "[    .    1    .    2    . ]" 
       1 60 GLY  0.162 0.073 16 0 "[    .    1    .    2    . ]" 
       1 61 GLN  8.389 0.218  8 0 "[    .    1    .    2    . ]" 
       1 62 ARG  7.423 0.218  8 0 "[    .    1    .    2    . ]" 
       1 63 ARG  3.422 0.148 22 0 "[    .    1    .    2    . ]" 
       1 64 ARG  3.009 0.169 11 0 "[    .    1    .    2    . ]" 
       1 65 LEU  2.318 0.170  2 0 "[    .    1    .    2    . ]" 
       1 66 LEU  1.941 0.139 25 0 "[    .    1    .    2    . ]" 
       1 67 ARG  2.294 0.156 23 0 "[    .    1    .    2    . ]" 
       1 68 TYR  3.761 0.165  1 0 "[    .    1    .    2    . ]" 
       1 69 LEU  3.392 0.136 21 0 "[    .    1    .    2    . ]" 
       1 70 GLN  7.426 0.192 12 0 "[    .    1    .    2    . ]" 
       1 71 ARG  4.590 0.121 12 0 "[    .    1    .    2    . ]" 
       1 72 GLU  9.113 0.286 21 0 "[    .    1    .    2    . ]" 
       1 73 ASP  7.819 0.286 21 0 "[    .    1    .    2    . ]" 
       1 74 PRO  3.336 0.103 16 0 "[    .    1    .    2    . ]" 
       1 75 GLU  6.083 0.123 25 0 "[    .    1    .    2    . ]" 
       1 76 ARG  1.685 0.133  5 0 "[    .    1    .    2    . ]" 
       1 77 TYR  9.551 0.216 17 0 "[    .    1    .    2    . ]" 
       1 78 ARG  5.373 0.216 17 0 "[    .    1    .    2    . ]" 
       1 79 ALA 12.278 0.234 12 0 "[    .    1    .    2    . ]" 
       1 80 LEU  6.966 0.160 19 0 "[    .    1    .    2    . ]" 
       1 81 ILE 14.466 0.234 12 0 "[    .    1    .    2    . ]" 
       1 82 GLU  4.652 0.140 20 0 "[    .    1    .    2    . ]" 
       1 83 LYS  7.518 0.174 16 0 "[    .    1    .    2    . ]" 
       1 84 LEU  7.886 0.193 13 0 "[    .    1    .    2    . ]" 
       1 85 GLY  2.613 0.077 13 0 "[    .    1    .    2    . ]" 
       1 86 ILE 12.238 0.164  9 0 "[    .    1    .    2    . ]" 
       1 87 ARG 25.186 0.529 22 3 "[    .-   1    .    2 +  * ]" 
       1 88 GLY 15.439 0.529 22 3 "[    .-   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  1 PRO HA  1  2 ILE H   3.400 . 3.400 2.781 2.196 3.526 0.126 15 0 "[    .    1    .    2    . ]" 1 
         2 1  1 PRO QB  1  2 ILE H   3.400 . 3.800 2.470 1.839 3.477     .  0 0 "[    .    1    .    2    . ]" 1 
         3 1  2 ILE H   1  2 ILE HB  3.400 . 3.400 2.986 2.435 3.557 0.157 25 0 "[    .    1    .    2    . ]" 1 
         4 1  2 ILE HA  1  2 ILE MG  3.400 . 3.700 2.240 2.048 2.471     .  0 0 "[    .    1    .    2    . ]" 1 
         5 1  2 ILE HA  1  2 ILE QG  3.400 . 4.400 2.738 2.306 3.290     .  0 0 "[    .    1    .    2    . ]" 1 
         6 1  2 ILE HB  1  2 ILE MD  3.400 . 3.700 2.260 1.906 3.181     .  0 0 "[    .    1    .    2    . ]" 1 
         7 1  3 THR HA  1  3 THR MG  3.400 . 3.700 3.124 3.053 3.160     .  0 0 "[    .    1    .    2    . ]" 1 
         8 1  3 THR HA  1  6 GLU HB2 3.400 . 3.400 3.551 3.440 3.625 0.225 19 0 "[    .    1    .    2    . ]" 1 
         9 1  3 THR H   1  6 GLU HB2     . . 2.800 1.924 1.772 2.828 0.028  1 0 "[    .    1    .    2    . ]" 1 
        10 1  3 THR H   1  6 GLU QG  5.000 . 6.000 3.303 1.845 3.933     .  0 0 "[    .    1    .    2    . ]" 1 
        11 1  5 GLU HA  1  5 GLU QG  3.400 . 4.400 2.096 1.936 2.422     .  0 0 "[    .    1    .    2    . ]" 1 
        12 1  5 GLU QG  1  6 GLU H   5.000 . 6.000 4.624 4.557 4.840     .  0 0 "[    .    1    .    2    . ]" 1 
        13 1  5 GLU HA  1  6 GLU H       . . 2.800 3.033 3.013 3.080 0.280  1 0 "[    .    1    .    2    . ]" 1 
        14 1  6 GLU HA  1  6 GLU QG  3.400 . 4.400 2.387 2.034 2.670     .  0 0 "[    .    1    .    2    . ]" 1 
        15 1  6 GLU H   1  6 GLU HB2 3.400 . 3.400 2.205 2.168 2.241     .  0 0 "[    .    1    .    2    . ]" 1 
        16 1  6 GLU HB2 1  7 LYS H   3.400 . 3.400 3.588 3.550 3.626 0.226  9 0 "[    .    1    .    2    . ]" 1 
        17 1  7 LYS H   1  7 LYS QD  5.000 . 6.000 4.065 3.168 5.068     .  0 0 "[    .    1    .    2    . ]" 1 
        18 1  7 LYS HA  1  7 LYS QG  3.400 . 4.400 2.910 2.037 3.402     .  0 0 "[    .    1    .    2    . ]" 1 
        19 1  7 LYS HA  1  7 LYS QD  3.400 . 4.400 3.391 2.383 3.821     .  0 0 "[    .    1    .    2    . ]" 1 
        20 1  7 LYS HA  1  7 LYS QE  5.000 . 6.000 4.725 4.154 5.366     .  0 0 "[    .    1    .    2    . ]" 1 
        21 1  7 LYS QB  1  7 LYS QE  3.400 . 5.400 2.756 2.080 3.585     .  0 0 "[    .    1    .    2    . ]" 1 
        22 1  7 LYS HA  1 10 VAL HB  3.400 . 3.400 2.749 1.886 3.404 0.004 19 0 "[    .    1    .    2    . ]" 1 
        23 1  7 LYS HA  1 10 VAL QG  5.000 . 7.400 2.540 1.869 3.738     .  0 0 "[    .    1    .    2    . ]" 1 
        24 1  7 LYS QG  1 11 ILE MD  5.000 . 6.600 3.976 2.007 4.838     .  0 0 "[    .    1    .    2    . ]" 1 
        25 1  7 LYS QD  1 11 ILE MD  3.400 . 4.700 2.609 1.752 3.253     .  0 0 "[    .    1    .    2    . ]" 1 
        26 1  7 LYS QE  1 11 ILE MD  5.000 . 6.600 3.934 2.483 4.720     .  0 0 "[    .    1    .    2    . ]" 1 
        27 1  9 LYS QB  1 10 VAL H   3.400 . 4.400 3.439 2.852 4.042     .  0 0 "[    .    1    .    2    . ]" 1 
        28 1 10 VAL QG  1 11 ILE H   5.000 . 7.400 2.887 2.442 3.327     .  0 0 "[    .    1    .    2    . ]" 1 
        29 1 10 VAL HA  1 14 PHE QD  3.400 . 5.400 3.683 3.308 4.690     .  0 0 "[    .    1    .    2    . ]" 1 
        30 1 10 VAL QG  1 14 PHE QE  5.000 . 9.400 3.517 2.515 4.555     .  0 0 "[    .    1    .    2    . ]" 1 
        31 1 11 ILE H   1 11 ILE QG  3.400 . 4.400 3.451 3.423 3.473     .  0 0 "[    .    1    .    2    . ]" 1 
        32 1 11 ILE HA  1 11 ILE MG  3.400 . 3.700 2.609 2.583 2.649     .  0 0 "[    .    1    .    2    . ]" 1 
        33 1 11 ILE HA  1 11 ILE QG  3.400 . 4.400 3.339 3.318 3.353     .  0 0 "[    .    1    .    2    . ]" 1 
        34 1 11 ILE HB  1 11 ILE MD  3.400 . 3.700 3.152 3.145 3.163     .  0 0 "[    .    1    .    2    . ]" 1 
        35 1 11 ILE HB  1 12 GLN H   3.400 . 3.400 3.819 3.793 3.829 0.429 12 0 "[    .    1    .    2    . ]" 1 
        36 1 11 ILE HA  1 15 ALA MB  5.000 . 5.600 3.002 2.857 3.253     .  0 0 "[    .    1    .    2    . ]" 1 
        37 1 11 ILE MG  1 21 THR HA  5.000 . 5.600 3.145 2.306 3.808     .  0 0 "[    .    1    .    2    . ]" 1 
        38 1 11 ILE MG  1 21 THR HB  5.000 . 5.600 2.268 1.830 4.492     .  0 0 "[    .    1    .    2    . ]" 1 
        39 1 11 ILE MD  1 21 THR HB  5.000 . 5.600 3.672 2.903 4.547     .  0 0 "[    .    1    .    2    . ]" 1 
        40 1 12 GLN HA  1 12 GLN QG  3.400 . 4.400 2.623 1.937 3.427     .  0 0 "[    .    1    .    2    . ]" 1 
        41 1 13 GLU H   1 13 GLU QG  3.400 . 4.400 3.517 2.214 4.004     .  0 0 "[    .    1    .    2    . ]" 1 
        42 1 13 GLU HA  1 13 GLU QG  3.400 . 4.400 2.195 1.917 2.525     .  0 0 "[    .    1    .    2    . ]" 1 
        43 1 13 GLU QG  1 14 PHE QD  5.000 . 8.400 4.818 3.383 5.829     .  0 0 "[    .    1    .    2    . ]" 1 
        44 1 14 PHE HA  1 14 PHE QD  3.400 . 5.400 2.375 1.862 3.042     .  0 0 "[    .    1    .    2    . ]" 1 
        45 1 14 PHE HB3 1 26 VAL HA  3.400 . 3.400 2.342 1.999 2.707     .  0 0 "[    .    1    .    2    . ]" 1 
        46 1 14 PHE HB3 1 26 VAL QG  5.000 . 7.700 1.797 1.707 1.837     .  0 0 "[    .    1    .    2    . ]" 1 
        47 1 14 PHE HB2 1 26 VAL HA  3.400 . 3.400 3.418 3.307 3.445 0.045  1 0 "[    .    1    .    2    . ]" 1 
        48 1 14 PHE HB2 1 26 VAL QG  5.000 . 7.300 2.283 1.844 2.602     .  0 0 "[    .    1    .    2    . ]" 1 
        49 1 14 PHE HB3 1 29 ALA MB  5.000 . 5.600 3.913 3.578 4.400     .  0 0 "[    .    1    .    2    . ]" 1 
        50 1 14 PHE HB2 1 29 ALA MB  5.000 . 5.600 4.127 3.845 4.551     .  0 0 "[    .    1    .    2    . ]" 1 
        51 1 14 PHE QD  1 29 ALA MB  5.000 . 7.300 2.814 2.287 3.282     .  0 0 "[    .    1    .    2    . ]" 1 
        52 1 14 PHE QE  1 29 ALA MB  5.000 . 7.300 2.365 1.985 3.057     .  0 0 "[    .    1    .    2    . ]" 1 
        53 1 14 PHE QD  1 80 LEU QD  5.000 . 9.700 3.020 2.041 4.648     .  0 0 "[    .    1    .    2    . ]" 1 
        54 1 14 PHE QE  1 80 LEU QD  5.000 . 9.700 3.259 2.314 4.634     .  0 0 "[    .    1    .    2    . ]" 1 
        55 1 14 PHE QE  1 83 LYS QB  3.400 . 6.400 3.100 1.939 4.660     .  0 0 "[    .    1    .    2    . ]" 1 
        56 1 14 PHE HZ  1 84 LEU QD  5.000 . 7.400 2.437 1.781 4.555     .  0 0 "[    .    1    .    2    . ]" 1 
        57 1 14 PHE QE  1 84 LEU QD  5.000 . 9.400 2.186 1.720 3.623     .  0 0 "[    .    1    .    2    . ]" 1 
        58 1 15 ALA HA  1 17 PHE H   5.000 . 5.300 3.648 3.583 3.783     .  0 0 "[    .    1    .    2    . ]" 1 
        59 1 15 ALA HA  1 20 ASP QB  3.400 . 4.400 2.368 1.868 4.049     .  0 0 "[    .    1    .    2    . ]" 1 
        60 1 15 ALA HA  1 26 VAL QG  3.400 . 5.800 2.223 1.756 2.560     .  0 0 "[    .    1    .    2    . ]" 1 
        61 1 16 ARG H   1 16 ARG QD  5.000 . 6.300 2.654 1.864 5.001     .  0 0 "[    .    1    .    2    . ]" 1 
        62 1 16 ARG HA  1 16 ARG HE  5.000 . 5.300 4.905 3.859 5.317 0.017  6 0 "[    .    1    .    2    . ]" 1 
        63 1 16 ARG HA  1 16 ARG QG  3.400 . 4.400 3.185 2.380 3.384     .  0 0 "[    .    1    .    2    . ]" 1 
        64 1 16 ARG HA  1 16 ARG QD  3.400 . 4.400 3.650 3.379 3.961     .  0 0 "[    .    1    .    2    . ]" 1 
        65 1 16 ARG HE  1 16 ARG QG  3.400 . 4.400 2.635 2.158 3.284     .  0 0 "[    .    1    .    2    . ]" 1 
        66 1 16 ARG HA  1 17 PHE H       . . 2.800 2.943 2.915 3.019 0.219 23 0 "[    .    1    .    2    . ]" 1 
        67 1 16 ARG QB  1 17 PHE QE  3.400 . 6.700 4.779 4.413 5.220     .  0 0 "[    .    1    .    2    . ]" 1 
        68 1 16 ARG H   1 20 ASP QB  3.400 . 4.400 2.128 1.795 2.757     .  0 0 "[    .    1    .    2    . ]" 1 
        69 1 16 ARG QG  1 23 SER QB  5.000 . 7.300 5.571 4.315 5.817     .  0 0 "[    .    1    .    2    . ]" 1 
        70 1 16 ARG QD  1 23 SER QB  5.000 . 7.300 5.183 4.606 5.885     .  0 0 "[    .    1    .    2    . ]" 1 
        71 1 16 ARG H   1 26 VAL QG  5.000 . 6.300 3.988 3.388 4.403     .  0 0 "[    .    1    .    2    . ]" 1 
        72 1 17 PHE HA  1 17 PHE QE  3.400 . 5.400 4.058 4.003 4.277     .  0 0 "[    .    1    .    2    . ]" 1 
        73 1 17 PHE HA  1 18 PRO QG  3.400 . 4.400 4.060 4.041 4.108     .  0 0 "[    .    1    .    2    . ]" 1 
        74 1 17 PHE HA  1 18 PRO QD  3.400 . 4.400 2.082 2.058 2.145     .  0 0 "[    .    1    .    2    . ]" 1 
        75 1 17 PHE QB  1 18 PRO QD  3.400 . 5.400 1.799 1.741 1.818     .  0 0 "[    .    1    .    2    . ]" 1 
        76 1 17 PHE H   1 20 ASP QB  3.400 . 3.800 2.379 2.081 2.648     .  0 0 "[    .    1    .    2    . ]" 1 
        77 1 17 PHE QD  1 20 ASP H   5.000 . 5.500 4.731 4.534 5.248     .  0 0 "[    .    1    .    2    . ]" 1 
        78 1 17 PHE QD  1 20 ASP HA  5.000 . 7.000 5.410 4.366 5.881     .  0 0 "[    .    1    .    2    . ]" 1 
        79 1 17 PHE QD  1 20 ASP QB  5.000 . 8.300 3.711 3.152 5.417     .  0 0 "[    .    1    .    2    . ]" 1 
        80 1 17 PHE QD  1 18 PRO QD  5.000 . 8.000 1.764 1.718 1.989     .  0 0 "[    .    1    .    2    . ]" 1 
        81 1 18 PRO HA  1 19 GLY H   3.400 . 3.400 3.313 3.232 3.355     .  0 0 "[    .    1    .    2    . ]" 1 
        82 1 18 PRO HA  1 20 ASP H   5.000 . 5.000 4.164 3.964 4.232     .  0 0 "[    .    1    .    2    . ]" 1 
        83 1 21 THR HA  1 21 THR MG  3.400 . 3.700 2.919 2.433 3.182     .  0 0 "[    .    1    .    2    . ]" 1 
        84 1 21 THR HA  1 26 VAL QG  5.000 . 7.700 2.115 1.716 4.633     .  0 0 "[    .    1    .    2    . ]" 1 
        85 1 23 SER HA  1 24 THR H   3.400 . 3.400 2.555 2.254 2.859     .  0 0 "[    .    1    .    2    . ]" 1 
        86 1 23 SER HA  1 25 GLU H   5.000 . 5.300 4.335 3.752 5.017     .  0 0 "[    .    1    .    2    . ]" 1 
        87 1 23 SER QB  1 25 GLU H   5.000 . 6.300 2.830 2.136 4.013     .  0 0 "[    .    1    .    2    . ]" 1 
        88 1 24 THR H   1 24 THR HB  3.400 . 3.400 2.430 2.343 3.418 0.018  6 0 "[    .    1    .    2    . ]" 1 
        89 1 24 THR HA  1 24 THR MG  3.400 . 3.700 2.435 2.380 2.506     .  0 0 "[    .    1    .    2    . ]" 1 
        90 1 24 THR HA  1 25 GLU H   5.000 . 5.300 3.495 3.402 3.555     .  0 0 "[    .    1    .    2    . ]" 1 
        91 1 24 THR HA  1 27 GLN H   5.000 . 5.300 3.535 3.406 3.671     .  0 0 "[    .    1    .    2    . ]" 1 
        92 1 24 THR MG  1 27 GLN H   5.000 . 5.600 4.556 4.469 4.618     .  0 0 "[    .    1    .    2    . ]" 1 
        93 1 24 THR MG  1 68 TYR QD  5.000 . 7.600 3.132 1.879 4.865     .  0 0 "[    .    1    .    2    . ]" 1 
        94 1 24 THR MG  1 68 TYR QE  5.000 . 7.600 3.903 1.759 5.711     .  0 0 "[    .    1    .    2    . ]" 1 
        95 1 24 THR MG  1 69 LEU H   5.000 . 5.600 4.516 4.000 4.692     .  0 0 "[    .    1    .    2    . ]" 1 
        96 1 24 THR MG  1 69 LEU QB  5.000 . 6.600 3.682 2.975 4.650     .  0 0 "[    .    1    .    2    . ]" 1 
        97 1 25 GLU HA  1 25 GLU QG  3.400 . 4.400 2.273 2.016 2.779     .  0 0 "[    .    1    .    2    . ]" 1 
        98 1 25 GLU H   1 26 VAL QG  5.000 . 7.700 4.182 3.810 4.535     .  0 0 "[    .    1    .    2    . ]" 1 
        99 1 25 GLU HB3 1 26 VAL H   3.400 . 3.400 3.121 2.571 3.425 0.025  3 0 "[    .    1    .    2    . ]" 1 
       100 1 25 GLU HA  1 28 VAL H   5.000 . 5.300 3.472 3.302 3.699     .  0 0 "[    .    1    .    2    . ]" 1 
       101 1 25 GLU HA  1 28 VAL HB  3.400 . 3.400 2.882 2.544 3.167     .  0 0 "[    .    1    .    2    . ]" 1 
       102 1 25 GLU HA  1 80 LEU QD  3.400 . 5.800 3.044 2.116 4.183     .  0 0 "[    .    1    .    2    . ]" 1 
       103 1 25 GLU QG  1 80 LEU QB  3.400 . 5.400 3.991 3.696 4.327     .  0 0 "[    .    1    .    2    . ]" 1 
       104 1 25 GLU QG  1 80 LEU QD  3.400 . 6.800 2.316 1.669 3.227     .  0 0 "[    .    1    .    2    . ]" 1 
       105 1 26 VAL HA  1 29 ALA MB  5.000 . 5.600 2.832 2.552 3.178     .  0 0 "[    .    1    .    2    . ]" 1 
       106 1 28 VAL HA  1 29 ALA H   5.000 . 5.300 3.533 3.518 3.547     .  0 0 "[    .    1    .    2    . ]" 1 
       107 1 28 VAL HA  1 31 LEU HB2 3.400 . 3.400 3.562 3.542 3.592 0.192 18 0 "[    .    1    .    2    . ]" 1 
       108 1 28 VAL HA  1 31 LEU HB3 3.400 . 3.400 2.105 2.070 2.178     .  0 0 "[    .    1    .    2    . ]" 1 
       109 1 28 VAL HA  1 31 LEU QD  5.000 . 7.700 1.810 1.726 1.832     .  0 0 "[    .    1    .    2    . ]" 1 
       110 1 28 VAL QG  1 62 ARG QD  5.000 . 8.700 3.624 2.905 4.553     .  0 0 "[    .    1    .    2    . ]" 1 
       111 1 28 VAL QG  1 32 THR H   5.000 . 7.400 4.442 4.365 4.499     .  0 0 "[    .    1    .    2    . ]" 1 
       112 1 29 ALA HA  1 32 THR H   5.000 . 5.300 3.538 3.485 3.648     .  0 0 "[    .    1    .    2    . ]" 1 
       113 1 29 ALA HA  1 32 THR HB  3.400 . 3.400 3.443 3.403 3.461 0.061  3 0 "[    .    1    .    2    . ]" 1 
       114 1 29 ALA HA  1 32 THR MG  5.000 . 5.600 3.745 3.488 4.160     .  0 0 "[    .    1    .    2    . ]" 1 
       115 1 29 ALA MB  1 32 THR HB  5.000 . 5.600 4.681 4.655 4.730     .  0 0 "[    .    1    .    2    . ]" 1 
       116 1 28 VAL H   1 29 ALA MB  5.000 . 5.600 4.433 4.262 4.491     .  0 0 "[    .    1    .    2    . ]" 1 
       117 1 29 ALA HA  1 84 LEU QD  5.000 . 7.700 2.598 1.792 4.588     .  0 0 "[    .    1    .    2    . ]" 1 
       118 1 31 LEU H   1 31 LEU HG  3.400 . 3.400 2.836 2.728 2.906     .  0 0 "[    .    1    .    2    . ]" 1 
       119 1 31 LEU HA  1 31 LEU HG  3.400 . 3.400 3.580 3.569 3.590 0.190  7 0 "[    .    1    .    2    . ]" 1 
       120 1 31 LEU HA  1 31 LEU QD  3.400 . 5.800 3.050 3.001 3.116     .  0 0 "[    .    1    .    2    . ]" 1 
       121 1 31 LEU HB3 1 35 ILE MD  5.000 . 5.600 4.695 4.635 4.742     .  0 0 "[    .    1    .    2    . ]" 1 
       122 1 31 LEU HB2 1 35 ILE MD  5.000 . 5.600 3.619 3.468 3.691     .  0 0 "[    .    1    .    2    . ]" 1 
       123 1 31 LEU QD  1 58 MET QG  3.400 . 6.800 3.651 2.362 4.172     .  0 0 "[    .    1    .    2    . ]" 1 
       124 1 31 LEU QD  1 61 GLN QB  5.000 . 8.700 2.845 1.683 4.227     .  0 0 "[    .    1    .    2    . ]" 1 
       125 1 31 LEU QD  1 61 GLN QG  5.000 . 8.700 4.389 3.014 5.742     .  0 0 "[    .    1    .    2    . ]" 1 
       126 1 31 LEU QD  1 62 ARG HA  3.400 . 5.800 3.361 2.459 4.029     .  0 0 "[    .    1    .    2    . ]" 1 
       127 1 32 THR HA  1 32 THR MG  3.400 . 3.700 3.103 2.962 3.152     .  0 0 "[    .    1    .    2    . ]" 1 
       128 1 32 THR H   1 35 ILE MD  5.000 . 5.600 4.029 3.881 4.286     .  0 0 "[    .    1    .    2    . ]" 1 
       129 1 32 THR HA  1 35 ILE HB  3.400 . 3.400 2.268 2.081 2.518     .  0 0 "[    .    1    .    2    . ]" 1 
       130 1 32 THR HA  1 35 ILE MG  5.000 . 5.600 3.163 2.889 3.373     .  0 0 "[    .    1    .    2    . ]" 1 
       131 1 32 THR HA  1 35 ILE MD  5.000 . 5.600 2.335 1.944 3.059     .  0 0 "[    .    1    .    2    . ]" 1 
       132 1 32 THR MG  1 62 ARG QD  5.000 . 6.600 4.904 4.692 4.990     .  0 0 "[    .    1    .    2    . ]" 1 
       133 1 32 THR MG  1 35 ILE H   5.000 . 6.600 4.400 4.318 4.490     .  0 0 "[    .    1    .    2    . ]" 1 
       134 1 32 THR MG  1 36 ASN H   5.000 . 6.600 4.269 3.933 4.640     .  0 0 "[    .    1    .    2    . ]" 1 
       135 1 33 LEU HA  1 33 LEU QD  3.400 . 5.800 2.353 1.787 2.985     .  0 0 "[    .    1    .    2    . ]" 1 
       136 1 33 LEU QD  1 34 ARG H   5.000 . 7.700 3.572 2.497 4.089     .  0 0 "[    .    1    .    2    . ]" 1 
       137 1 33 LEU HA  1 36 ASN QB  3.400 . 4.400 3.215 2.731 3.742     .  0 0 "[    .    1    .    2    . ]" 1 
       138 1 35 ILE HA  1 35 ILE MG  3.400 . 3.700 2.875 2.821 2.931     .  0 0 "[    .    1    .    2    . ]" 1 
       139 1 35 ILE HB  1 35 ILE MD  3.400 . 3.700 2.072 1.902 2.219     .  0 0 "[    .    1    .    2    . ]" 1 
       140 1 35 ILE HA  1 36 ASN H   5.000 . 5.300 3.558 3.546 3.568     .  0 0 "[    .    1    .    2    . ]" 1 
       141 1 35 ILE MG  1 36 ASN HA  5.000 . 5.600 2.850 2.794 2.936     .  0 0 "[    .    1    .    2    . ]" 1 
       142 1 35 ILE HA  1 38 LEU QB  3.400 . 4.400 2.359 2.152 2.550     .  0 0 "[    .    1    .    2    . ]" 1 
       143 1 35 ILE MG  1 39 SER QB  5.000 . 6.600 4.727 4.331 4.800     .  0 0 "[    .    1    .    2    . ]" 1 
       144 1 35 ILE HA  1 55 LEU QD  5.000 . 7.700 5.286 4.473 5.778     .  0 0 "[    .    1    .    2    . ]" 1 
       145 1 35 ILE H   1 58 MET ME  5.000 . 5.600 3.533 2.600 4.449     .  0 0 "[    .    1    .    2    . ]" 1 
       146 1 35 ILE HA  1 58 MET ME  3.400 . 3.700 2.685 1.950 3.157     .  0 0 "[    .    1    .    2    . ]" 1 
       147 1 35 ILE MD  1 58 MET HA  5.000 . 5.600 4.096 3.509 4.618     .  0 0 "[    .    1    .    2    . ]" 1 
       148 1 35 ILE MD  1 58 MET QB  3.400 . 4.700 2.451 1.810 3.210     .  0 0 "[    .    1    .    2    . ]" 1 
       149 1 35 ILE MD  1 59 VAL HA  3.400 . 3.700 2.450 1.876 2.898     .  0 0 "[    .    1    .    2    . ]" 1 
       150 1 35 ILE MD  1 59 VAL QG  5.000 . 8.000 2.687 2.033 3.278     .  0 0 "[    .    1    .    2    . ]" 1 
       151 1 35 ILE MD  1 62 ARG HE  5.000 . 5.600 3.399 2.735 4.525     .  0 0 "[    .    1    .    2    . ]" 1 
       152 1 35 ILE MD  1 62 ARG QB  5.000 . 6.600 4.065 3.403 4.636     .  0 0 "[    .    1    .    2    . ]" 1 
       153 1 35 ILE MD  1 62 ARG QD  5.000 . 6.600 4.268 3.227 4.818     .  0 0 "[    .    1    .    2    . ]" 1 
       154 1 36 ASN HA  1 39 SER QB  3.400 . 4.400 3.975 3.940 4.033     .  0 0 "[    .    1    .    2    . ]" 1 
       155 1 38 LEU HA  1 38 LEU QD  3.400 . 5.800 1.967 1.721 2.722     .  0 0 "[    .    1    .    2    . ]" 1 
       156 1 38 LEU HA  1 39 SER H   5.000 . 5.000 3.517 3.460 3.549     .  0 0 "[    .    1    .    2    . ]" 1 
       157 1 38 LEU HA  1 41 HIS QB  3.400 . 4.400 2.986 2.200 3.641     .  0 0 "[    .    1    .    2    . ]" 1 
       158 1 38 LEU QD  1 51 SER QB  5.000 . 8.400 4.439 2.554 5.273     .  0 0 "[    .    1    .    2    . ]" 1 
       159 1 39 SER QB  1 40 GLU H   5.000 . 6.300 2.974 2.562 3.705     .  0 0 "[    .    1    .    2    . ]" 1 
       160 1 41 HIS HA  1 44 VAL QG  5.000 . 7.700 4.645 4.455 4.811     .  0 0 "[    .    1    .    2    . ]" 1 
       161 1 42 LEU HA  1 42 LEU QD  3.400 . 5.800 2.759 1.752 3.147     .  0 0 "[    .    1    .    2    . ]" 1 
       162 1 42 LEU HA  1 43 LYS H   5.000 . 5.300 3.350 3.340 3.365     .  0 0 "[    .    1    .    2    . ]" 1 
       163 1 42 LEU HB2 1 43 LYS H   3.400 . 3.400 3.443 3.427 3.460 0.060 19 0 "[    .    1    .    2    . ]" 1 
       164 1 42 LEU HB3 1 43 LYS H   5.000 . 5.300 4.178 3.994 4.407     .  0 0 "[    .    1    .    2    . ]" 1 
       165 1 42 LEU HA  1 44 VAL H   5.000 . 5.300 3.208 3.191 3.227     .  0 0 "[    .    1    .    2    . ]" 1 
       166 1 42 LEU HA  1 45 HIS H   3.400 . 3.400 3.111 3.077 3.174     .  0 0 "[    .    1    .    2    . ]" 1 
       167 1 42 LEU HA  1 45 HIS HB3 3.400 . 3.400 3.479 3.470 3.486 0.086 16 0 "[    .    1    .    2    . ]" 1 
       168 1 42 LEU HA  1 45 HIS HB2 5.000 . 5.300 2.026 1.945 2.194     .  0 0 "[    .    1    .    2    . ]" 1 
       169 1 42 LEU QD  1 52 HIS HA  5.000 . 7.700 4.916 3.797 5.615     .  0 0 "[    .    1    .    2    . ]" 1 
       170 1 42 LEU QD  1 52 HIS QB  5.000 . 8.700 4.173 2.308 5.694     .  0 0 "[    .    1    .    2    . ]" 1 
       171 1 45 HIS HB3 1 46 LYS H   5.000 . 5.300 2.657 1.858 4.076     .  0 0 "[    .    1    .    2    . ]" 1 
       172 1 45 HIS HB3 1 48 ASP QB  3.400 . 4.400 3.271 2.125 3.993     .  0 0 "[    .    1    .    2    . ]" 1 
       173 1 45 HIS HB2 1 48 ASP QB  5.000 . 6.000 4.398 2.352 5.264     .  0 0 "[    .    1    .    2    . ]" 1 
       174 1 46 LYS HA  1 46 LYS QG  3.400 . 4.400 2.677 1.934 3.297     .  0 0 "[    .    1    .    2    . ]" 1 
       175 1 46 LYS HA  1 47 LYS H   3.400 . 3.400 2.910 2.228 3.497 0.097 19 0 "[    .    1    .    2    . ]" 1 
       176 1 46 LYS QB  1 47 LYS H   3.400 . 4.400 3.751 2.743 4.016     .  0 0 "[    .    1    .    2    . ]" 1 
       177 1 47 LYS HA  1 47 LYS QG  3.400 . 4.400 2.919 1.940 3.308     .  0 0 "[    .    1    .    2    . ]" 1 
       178 1 47 LYS HA  1 48 ASP H   3.400 . 3.400 2.821 2.462 3.525 0.125 25 0 "[    .    1    .    2    . ]" 1 
       179 1 52 HIS QB  1 53 ARG H   3.400 . 4.400 3.494 2.587 4.040     .  0 0 "[    .    1    .    2    . ]" 1 
       180 1 52 HIS HA  1 55 LEU QB  3.400 . 4.400 2.624 1.871 3.822     .  0 0 "[    .    1    .    2    . ]" 1 
       181 1 54 GLY QA  1 57 MET QB  3.400 . 5.400 4.132 3.417 4.410     .  0 0 "[    .    1    .    2    . ]" 1 
       182 1 56 LEU HA  1 56 LEU QD  3.400 . 5.800 2.102 1.835 2.697     .  0 0 "[    .    1    .    2    . ]" 1 
       183 1 56 LEU HB2 1 57 MET H   3.400 . 3.400 2.615 1.873 3.032     .  0 0 "[    .    1    .    2    . ]" 1 
       184 1 56 LEU HA  1 57 MET H   3.400 . 3.400 3.497 3.445 3.516 0.116 12 0 "[    .    1    .    2    . ]" 1 
       185 1 56 LEU HA  1 59 VAL H   3.400 . 3.400 3.276 2.970 3.427 0.027  6 0 "[    .    1    .    2    . ]" 1 
       186 1 57 MET HA  1 57 MET QG  3.400 . 4.400 2.278 1.926 2.556     .  0 0 "[    .    1    .    2    . ]" 1 
       187 1 58 MET HA  1 58 MET QG  3.400 . 4.400 2.638 1.912 3.354     .  0 0 "[    .    1    .    2    . ]" 1 
       188 1 58 MET HA  1 59 VAL H   5.000 . 5.300 3.547 3.419 3.583     .  0 0 "[    .    1    .    2    . ]" 1 
       189 1 58 MET ME  1 59 VAL H   5.000 . 5.600 3.930 3.397 4.465     .  0 0 "[    .    1    .    2    . ]" 1 
       190 1 58 MET QG  1 59 VAL H   5.000 . 6.300 3.315 1.772 4.540     .  0 0 "[    .    1    .    2    . ]" 1 
       191 1 58 MET HA  1 61 GLN QB  3.400 . 4.400 2.598 1.939 3.370     .  0 0 "[    .    1    .    2    . ]" 1 
       192 1 59 VAL H   1 59 VAL QG  3.400 . 5.800 2.142 1.844 2.713     .  0 0 "[    .    1    .    2    . ]" 1 
       193 1 59 VAL QG  1 60 GLY H   5.000 . 7.700 3.200 1.756 3.534     .  0 0 "[    .    1    .    2    . ]" 1 
       194 1 61 GLN HA  1 61 GLN QG  3.400 . 4.400 2.053 1.928 2.304     .  0 0 "[    .    1    .    2    . ]" 1 
       195 1 62 ARG HA  1 63 ARG H   3.400 . 3.400 3.469 3.305 3.548 0.148 22 0 "[    .    1    .    2    . ]" 1 
       196 1 62 ARG QB  1 63 ARG H   3.400 . 4.400 2.874 2.221 3.405     .  0 0 "[    .    1    .    2    . ]" 1 
       197 1 62 ARG HA  1 66 LEU H   5.000 . 5.300 4.961 3.113 5.347 0.047  8 0 "[    .    1    .    2    . ]" 1 
       198 1 62 ARG QD  1 86 ILE MD  5.000 . 6.600 4.644 4.472 4.760     .  0 0 "[    .    1    .    2    . ]" 1 
       199 1 66 LEU HA  1 66 LEU QD  3.400 . 5.800 3.233 2.445 3.438     .  0 0 "[    .    1    .    2    . ]" 1 
       200 1 66 LEU QB  1 77 TYR QE  3.400 . 6.400 2.878 1.829 4.292     .  0 0 "[    .    1    .    2    . ]" 1 
       201 1 66 LEU QB  1 77 TYR QD  5.000 . 8.000 3.879 2.890 5.326     .  0 0 "[    .    1    .    2    . ]" 1 
       202 1 68 TYR HA  1 69 LEU H   5.000 . 5.000 3.526 3.248 3.588     .  0 0 "[    .    1    .    2    . ]" 1 
       203 1 68 TYR QB  1 70 GLN H   5.000 . 6.000 4.530 3.925 5.010     .  0 0 "[    .    1    .    2    . ]" 1 
       204 1 69 LEU HA  1 69 LEU QD  3.400 . 5.800 2.394 1.805 3.126     .  0 0 "[    .    1    .    2    . ]" 1 
       205 1 69 LEU QD  1 73 ASP QB  5.000 . 8.700 3.203 1.942 4.469     .  0 0 "[    .    1    .    2    . ]" 1 
       206 1 69 LEU QD  1 76 ARG HE  5.000 . 7.400 3.477 1.937 5.113     .  0 0 "[    .    1    .    2    . ]" 1 
       207 1 69 LEU QD  1 76 ARG QD  5.000 . 8.700 2.610 1.783 3.916     .  0 0 "[    .    1    .    2    . ]" 1 
       208 1 69 LEU QB  1 77 TYR QB  5.000 . 7.300 4.812 4.337 5.290     .  0 0 "[    .    1    .    2    . ]" 1 
       209 1 69 LEU QB  1 77 TYR QD  5.000 . 8.000 4.394 3.657 5.509     .  0 0 "[    .    1    .    2    . ]" 1 
       210 1 69 LEU QD  1 77 TYR HA  3.400 . 5.800 3.298 2.546 4.035     .  0 0 "[    .    1    .    2    . ]" 1 
       211 1 70 GLN H   1 70 GLN QG  3.400 . 4.400 3.522 2.280 4.044     .  0 0 "[    .    1    .    2    . ]" 1 
       212 1 70 GLN HA  1 70 GLN QG  3.400 . 4.400 2.711 2.256 3.428     .  0 0 "[    .    1    .    2    . ]" 1 
       213 1 70 GLN HA  1 71 ARG H   3.400 . 3.400 3.484 3.467 3.516 0.116  6 0 "[    .    1    .    2    . ]" 1 
       214 1 70 GLN HA  1 74 PRO HA  3.400 . 3.400 3.432 3.413 3.461 0.061 12 0 "[    .    1    .    2    . ]" 1 
       215 1 70 GLN QG  1 74 PRO HA  5.000 . 6.000 3.415 2.289 5.399     .  0 0 "[    .    1    .    2    . ]" 1 
       216 1 70 GLN HA  1 77 TYR H   3.400 . 3.400 3.357 3.159 3.466 0.066 23 0 "[    .    1    .    2    . ]" 1 
       217 1 70 GLN HA  1 77 TYR HA  3.400 . 3.400 3.549 3.494 3.592 0.192 12 0 "[    .    1    .    2    . ]" 1 
       218 1 70 GLN HA  1 77 TYR QB  3.400 . 4.400 1.799 1.754 1.830     .  0 0 "[    .    1    .    2    . ]" 1 
       219 1 70 GLN HA  1 77 TYR QD  5.000 . 7.300 3.744 3.234 3.974     .  0 0 "[    .    1    .    2    . ]" 1 
       220 1 71 ARG HA  1 71 ARG QG  3.400 . 4.400 2.607 2.145 3.406     .  0 0 "[    .    1    .    2    . ]" 1 
       221 1 71 ARG HA  1 71 ARG QD  3.400 . 4.400 2.731 1.819 4.048     .  0 0 "[    .    1    .    2    . ]" 1 
       222 1 71 ARG QB  1 72 GLU H   3.400 . 4.400 2.782 2.401 3.526     .  0 0 "[    .    1    .    2    . ]" 1 
       223 1 72 GLU HA  1 72 GLU QG  3.400 . 4.400 2.194 2.160 2.289     .  0 0 "[    .    1    .    2    . ]" 1 
       224 1 72 GLU QG  1 73 ASP H   3.500 . 4.800 4.385 4.318 4.408     .  0 0 "[    .    1    .    2    . ]" 1 
       225 1 72 GLU QG  1 73 ASP QB  5.000 . 7.300 5.244 5.104 5.707     .  0 0 "[    .    1    .    2    . ]" 1 
       226 1 73 ASP HA  1 74 PRO QG  3.400 . 4.400 3.811 3.803 3.821     .  0 0 "[    .    1    .    2    . ]" 1 
       227 1 73 ASP HA  1 74 PRO QD  3.400 . 4.400 1.876 1.866 1.885     .  0 0 "[    .    1    .    2    . ]" 1 
       228 1 73 ASP QB  1 76 ARG QB  3.400 . 5.400 1.898 1.794 2.870     .  0 0 "[    .    1    .    2    . ]" 1 
       229 1 73 ASP QB  1 76 ARG QD  3.400 . 5.400 2.813 1.753 4.193     .  0 0 "[    .    1    .    2    . ]" 1 
       230 1 74 PRO HA  1 75 GLU H   3.400 . 3.400 3.489 3.468 3.503 0.103 16 0 "[    .    1    .    2    . ]" 1 
       231 1 74 PRO QG  1 75 GLU H   3.400 . 4.400 2.722 2.641 2.808     .  0 0 "[    .    1    .    2    . ]" 1 
       232 1 74 PRO HA  1 77 TYR QB  3.400 . 4.400 2.759 2.449 2.919     .  0 0 "[    .    1    .    2    . ]" 1 
       233 1 74 PRO HA  1 77 TYR QD  5.000 . 7.400 4.249 3.552 4.572     .  0 0 "[    .    1    .    2    . ]" 1 
       234 1 75 GLU HA  1 75 GLU QG  3.400 . 4.400 2.746 2.106 3.341     .  0 0 "[    .    1    .    2    . ]" 1 
       235 1 75 GLU QG  1 76 ARG H   3.400 . 4.400 3.253 1.789 3.963     .  0 0 "[    .    1    .    2    . ]" 1 
       236 1 75 GLU HA  1 78 ARG QB  3.400 . 4.400 3.776 3.597 4.067     .  0 0 "[    .    1    .    2    . ]" 1 
       237 1 76 ARG QB  1 76 ARG HE      . . 4.500 3.458 2.006 3.986     .  0 0 "[    .    1    .    2    . ]" 1 
       238 1 76 ARG HE  1 76 ARG QG  3.400 . 4.400 2.436 2.070 3.070     .  0 0 "[    .    1    .    2    . ]" 1 
       239 1 77 TYR HA  1 77 TYR QD  3.400 . 5.400 1.966 1.830 2.131     .  0 0 "[    .    1    .    2    . ]" 1 
       240 1 77 TYR HA  1 80 LEU H   5.000 . 5.300 4.880 4.063 5.312 0.012 22 0 "[    .    1    .    2    . ]" 1 
       241 1 77 TYR HA  1 81 ILE MG  5.000 . 5.600 2.924 2.627 3.177     .  0 0 "[    .    1    .    2    . ]" 1 
       242 1 77 TYR QE  1 81 ILE QG  5.000 . 7.600 4.900 4.458 5.211     .  0 0 "[    .    1    .    2    . ]" 1 
       243 1 77 TYR QD  1 81 ILE MG  5.000 . 7.300 2.873 2.299 3.199     .  0 0 "[    .    1    .    2    . ]" 1 
       244 1 77 TYR QE  1 81 ILE MD  5.000 . 7.300 4.573 3.955 4.879     .  0 0 "[    .    1    .    2    . ]" 1 
       245 1 77 TYR QD  1 81 ILE MD  5.000 . 7.300 5.452 4.956 5.599     .  0 0 "[    .    1    .    2    . ]" 1 
       246 1 78 ARG HA  1 78 ARG QG  3.400 . 4.400 3.179 1.988 3.402     .  0 0 "[    .    1    .    2    . ]" 1 
       247 1 78 ARG H   1 79 ALA MB  5.000 . 5.600 3.380 3.204 4.575     .  0 0 "[    .    1    .    2    . ]" 1 
       248 1 78 ARG HA  1 79 ALA MB  5.000 . 5.600 4.655 4.613 4.699     .  0 0 "[    .    1    .    2    . ]" 1 
       249 1 78 ARG HA  1 81 ILE H   5.000 . 5.300 4.179 4.027 4.325     .  0 0 "[    .    1    .    2    . ]" 1 
       250 1 78 ARG HA  1 81 ILE MD  5.000 . 5.600 4.556 4.177 4.731     .  0 0 "[    .    1    .    2    . ]" 1 
       251 1 78 ARG HA  1 81 ILE QG  3.400 . 4.400 2.879 2.469 3.065     .  0 0 "[    .    1    .    2    . ]" 1 
       252 1 79 ALA HA  1 80 LEU H   3.400 . 3.400 3.539 3.526 3.544 0.144 19 0 "[    .    1    .    2    . ]" 1 
       253 1 79 ALA HA  1 82 GLU QB  5.000 . 6.300 3.853 3.119 4.799     .  0 0 "[    .    1    .    2    . ]" 1 
       254 1 80 LEU H   1 80 LEU HG  5.000 . 5.300 3.121 1.861 4.361     .  0 0 "[    .    1    .    2    . ]" 1 
       255 1 80 LEU HA  1 80 LEU HG  3.400 . 3.400 2.545 1.960 3.475 0.075 25 0 "[    .    1    .    2    . ]" 1 
       256 1 80 LEU HA  1 80 LEU QD  3.400 . 5.800 2.690 1.997 3.414     .  0 0 "[    .    1    .    2    . ]" 1 
       257 1 80 LEU HG  1 81 ILE H   5.000 . 5.300 4.552 2.571 5.272     .  0 0 "[    .    1    .    2    . ]" 1 
       258 1 80 LEU HA  1 84 LEU QD  5.000 . 7.700 3.086 2.771 3.762     .  0 0 "[    .    1    .    2    . ]" 1 
       259 1 80 LEU HG  1 84 LEU QD  5.000 . 7.700 3.092 1.837 4.373     .  0 0 "[    .    1    .    2    . ]" 1 
       260 1 80 LEU QB  1 84 LEU QD  5.000 . 8.700 1.724 1.588 2.024     .  0 0 "[    .    1    .    2    . ]" 1 
       261 1 81 ILE H   1 81 ILE MD  5.000 . 5.600 4.179 4.061 4.290     .  0 0 "[    .    1    .    2    . ]" 1 
       262 1 81 ILE HA  1 81 ILE MG  3.400 . 3.700 2.770 2.740 2.821     .  0 0 "[    .    1    .    2    . ]" 1 
       263 1 81 ILE HA  1 81 ILE MD  3.400 . 3.700 3.044 2.823 3.118     .  0 0 "[    .    1    .    2    . ]" 1 
       264 1 81 ILE HA  1 81 ILE QG  3.400 . 4.400 3.398 3.372 3.438     .  0 0 "[    .    1    .    2    . ]" 1 
       265 1 81 ILE HB  1 81 ILE MD  3.400 . 3.700 2.181 2.099 2.239     .  0 0 "[    .    1    .    2    . ]" 1 
       266 1 81 ILE MD  1 82 GLU H   5.000 . 5.600 3.464 3.216 3.750     .  0 0 "[    .    1    .    2    . ]" 1 
       267 1 81 ILE HA  1 84 LEU QB  3.400 . 4.400 3.545 2.804 3.880     .  0 0 "[    .    1    .    2    . ]" 1 
       268 1 81 ILE HA  1 86 ILE HB  3.400 . 3.400 2.699 1.916 2.911     .  0 0 "[    .    1    .    2    . ]" 1 
       269 1 81 ILE HA  1 86 ILE MD  5.000 . 5.600 4.695 4.583 4.743     .  0 0 "[    .    1    .    2    . ]" 1 
       270 1 81 ILE HA  1 86 ILE QG  3.400 . 4.400 3.423 3.185 3.534     .  0 0 "[    .    1    .    2    . ]" 1 
       271 1 81 ILE HB  1 86 ILE H   5.000 . 5.000 4.471 3.383 4.816     .  0 0 "[    .    1    .    2    . ]" 1 
       272 1 81 ILE HB  1 86 ILE HB  3.400 . 3.400 3.227 1.841 3.483 0.083  3 0 "[    .    1    .    2    . ]" 1 
       273 1 81 ILE HB  1 86 ILE MG  5.000 . 5.600 1.685 1.578 1.841     .  0 0 "[    .    1    .    2    . ]" 1 
       274 1 81 ILE HB  1 86 ILE QG  3.400 . 4.400 2.536 2.331 2.782     .  0 0 "[    .    1    .    2    . ]" 1 
       275 1 81 ILE MG  1 86 ILE HB  5.000 . 5.600 4.271 3.356 4.461     .  0 0 "[    .    1    .    2    . ]" 1 
       276 1 81 ILE MG  1 86 ILE QG  3.400 . 4.700 3.506 3.177 3.569     .  0 0 "[    .    1    .    2    . ]" 1 
       277 1 81 ILE MD  1 87 ARG HA  5.000 . 5.600 4.658 4.321 4.728     .  0 0 "[    .    1    .    2    . ]" 1 
       278 1 81 ILE MD  1 88 GLY H   5.000 . 5.600 4.092 3.808 4.638     .  0 0 "[    .    1    .    2    . ]" 1 
       279 1 82 GLU H   1 82 GLU QG  3.400 . 4.400 3.245 2.160 4.007     .  0 0 "[    .    1    .    2    . ]" 1 
       280 1 82 GLU HA  1 82 GLU QG  3.400 . 4.400 2.326 1.918 3.308     .  0 0 "[    .    1    .    2    . ]" 1 
       281 1 83 LYS HA  1 83 LYS QG  3.400 . 4.400 2.358 2.020 2.862     .  0 0 "[    .    1    .    2    . ]" 1 
       282 1 83 LYS QB  1 84 LEU H   3.400 . 4.400 3.659 2.413 3.922     .  0 0 "[    .    1    .    2    . ]" 1 
       283 1 83 LYS QB  1 84 LEU QD  5.000 . 8.700 3.170 2.739 4.731     .  0 0 "[    .    1    .    2    . ]" 1 
       284 1 84 LEU HA  1 84 LEU HG  3.400 . 3.400 3.029 2.368 3.593 0.193 13 0 "[    .    1    .    2    . ]" 1 
       285 1 84 LEU HA  1 84 LEU QD  3.400 . 5.800 2.098 1.831 3.215     .  0 0 "[    .    1    .    2    . ]" 1 
       286 1 84 LEU QB  1 86 ILE H   5.000 . 6.300 3.783 3.479 4.649     .  0 0 "[    .    1    .    2    . ]" 1 
       287 1 86 ILE HA  1 86 ILE MG  3.400 . 3.700 3.136 3.118 3.150     .  0 0 "[    .    1    .    2    . ]" 1 
       288 1 86 ILE HA  1 86 ILE QG  3.400 . 4.400 3.105 2.105 3.267     .  0 0 "[    .    1    .    2    . ]" 1 
       289 1 86 ILE HB  1 86 ILE MD  3.400 . 3.700 2.623 2.486 3.177     .  0 0 "[    .    1    .    2    . ]" 1 
       290 1 86 ILE HB  1 87 ARG H   3.400 . 3.400 3.494 3.415 3.527 0.127 14 0 "[    .    1    .    2    . ]" 1 
       291 1 86 ILE MG  1 87 ARG H   5.000 . 5.600 1.728 1.685 1.829     .  0 0 "[    .    1    .    2    . ]" 1 
       292 1 86 ILE MD  1 87 ARG H   5.000 . 5.600 2.977 2.474 3.843     .  0 0 "[    .    1    .    2    . ]" 1 
       293 1  2 ILE H   1  2 ILE HA  2.800 . 2.800 2.818 2.759 2.933 0.133 18 0 "[    .    1    .    2    . ]" 1 
       294 1  2 ILE H   1  2 ILE MD  5.000 . 5.300 3.114 1.851 4.251     .  0 0 "[    .    1    .    2    . ]" 1 
       295 1  2 ILE H   1  2 ILE QG  2.800 . 3.800 2.068 1.818 2.634     .  0 0 "[    .    1    .    2    . ]" 1 
       296 1  2 ILE HB  1  3 THR H   3.500 . 3.500 3.035 1.880 3.518 0.018 11 0 "[    .    1    .    2    . ]" 1 
       297 1  2 ILE MG  1  3 THR H   5.000 . 5.300 2.551 1.766 4.218     .  0 0 "[    .    1    .    2    . ]" 1 
       298 1  3 THR H   1  3 THR HA  2.800 . 2.800 2.847 2.747 2.913 0.113 14 0 "[    .    1    .    2    . ]" 1 
       299 1  3 THR H   1  3 THR MG  3.500 . 3.800 3.003 2.731 3.140     .  0 0 "[    .    1    .    2    . ]" 1 
       300 1  3 THR HA  1  4 LYS H   2.800 . 2.800 2.815 2.528 3.327 0.527  1 2 "[+   .    1    .    2    .*]" 1 
       301 1  3 THR MG  1  4 LYS H   3.500 . 3.800 1.901 1.813 2.597     .  0 0 "[    .    1    .    2    . ]" 1 
       302 1  3 THR MG  1  5 GLU H   5.000 . 5.300 2.581 2.010 2.852     .  0 0 "[    .    1    .    2    . ]" 1 
       303 1  3 THR H   1  6 GLU H   5.000 . 5.000 3.351 3.045 4.109     .  0 0 "[    .    1    .    2    . ]" 1 
       304 1  3 THR MG  1  6 GLU H   5.000 . 5.300 2.088 1.832 4.145     .  0 0 "[    .    1    .    2    . ]" 1 
       305 1  4 LYS H   1  4 LYS HA  2.800 . 2.800 2.786 2.742 2.845 0.045  7 0 "[    .    1    .    2    . ]" 1 
       306 1  4 LYS H   1  4 LYS QB  2.800 . 3.800 2.260 2.083 2.815     .  0 0 "[    .    1    .    2    . ]" 1 
       307 1  4 LYS H   1  5 GLU H   5.000 . 5.000 3.339 2.679 3.631     .  0 0 "[    .    1    .    2    . ]" 1 
       308 1  4 LYS QB  1  5 GLU H   2.800 . 3.800 2.101 1.821 3.001     .  0 0 "[    .    1    .    2    . ]" 1 
       309 1  4 LYS H   1  6 GLU H   5.000 . 5.000 3.781 3.691 4.129     .  0 0 "[    .    1    .    2    . ]" 1 
       310 1  5 GLU H   1  5 GLU HA  2.800 . 2.800 2.925 2.917 2.930 0.130  3 0 "[    .    1    .    2    . ]" 1 
       311 1  5 GLU H   1  5 GLU QB  2.800 . 3.800 2.135 2.121 2.168     .  0 0 "[    .    1    .    2    . ]" 1 
       312 1  5 GLU H   1  6 GLU H   2.800 . 2.800 2.674 2.621 2.700     .  0 0 "[    .    1    .    2    . ]" 1 
       313 1  5 GLU QB  1  6 GLU H   2.800 . 3.800 3.586 3.540 3.604     .  0 0 "[    .    1    .    2    . ]" 1 
       314 1  5 GLU HA  1  8 GLN H   2.800 . 2.800 2.835 2.807 2.861 0.061 15 0 "[    .    1    .    2    . ]" 1 
       315 1  6 GLU H   1  6 GLU HA  2.800 . 2.800 2.919 2.913 2.923 0.123  1 0 "[    .    1    .    2    . ]" 1 
       316 1  6 GLU H   1  6 GLU HB3 3.500 . 3.500 3.515 3.486 3.543 0.043  4 0 "[    .    1    .    2    . ]" 1 
       317 1  6 GLU H   1  6 GLU QG  2.800 . 3.800 3.029 2.931 3.181     .  0 0 "[    .    1    .    2    . ]" 1 
       318 1  6 GLU H   1  7 LYS H   3.500 . 3.500 2.395 2.303 2.472     .  0 0 "[    .    1    .    2    . ]" 1 
       319 1  6 GLU HA  1  7 LYS H   2.800 . 2.800 3.158 3.131 3.190 0.390  1 0 "[    .    1    .    2    . ]" 1 
       320 1  7 LYS H   1  7 LYS HA  2.800 . 2.800 2.945 2.899 2.963 0.163  5 0 "[    .    1    .    2    . ]" 1 
       321 1  7 LYS H   1  7 LYS QB  2.800 . 3.800 2.910 2.540 3.315     .  0 0 "[    .    1    .    2    . ]" 1 
       322 1  7 LYS H   1  7 LYS QG  2.800 . 3.800 2.583 1.875 3.480     .  0 0 "[    .    1    .    2    . ]" 1 
       323 1  7 LYS HA  1  8 GLN H   3.500 . 3.500 3.445 3.246 3.536 0.036 20 0 "[    .    1    .    2    . ]" 1 
       324 1  7 LYS QB  1  8 GLN H   2.800 . 3.800 3.435 3.145 3.504     .  0 0 "[    .    1    .    2    . ]" 1 
       325 1  7 LYS HA  1 10 VAL H   5.000 . 5.000 3.004 2.627 3.486     .  0 0 "[    .    1    .    2    . ]" 1 
       326 1  8 GLN H   1  8 GLN HA  2.800 . 2.800 2.813 2.775 2.859 0.059 20 0 "[    .    1    .    2    . ]" 1 
       327 1  8 GLN H   1  8 GLN QB  2.800 . 3.800 2.306 2.061 2.710     .  0 0 "[    .    1    .    2    . ]" 1 
       328 1  8 GLN H   1  8 GLN QG  2.800 . 3.800 2.653 1.875 3.346     .  0 0 "[    .    1    .    2    . ]" 1 
       329 1  8 GLN H   1  9 LYS H   2.800 . 2.800 2.779 2.671 2.831 0.031 23 0 "[    .    1    .    2    . ]" 1 
       330 1  9 LYS H   1  9 LYS HA  2.800 . 2.800 2.875 2.813 2.970 0.170 10 0 "[    .    1    .    2    . ]" 1 
       331 1  9 LYS H   1  9 LYS QB  2.800 . 3.800 2.666 2.061 3.417     .  0 0 "[    .    1    .    2    . ]" 1 
       332 1  9 LYS H   1 10 VAL H   3.500 . 3.500 2.208 1.852 2.635     .  0 0 "[    .    1    .    2    . ]" 1 
       333 1 10 VAL H   1 10 VAL HA  2.800 . 2.800 2.887 2.838 2.932 0.132  1 0 "[    .    1    .    2    . ]" 1 
       334 1 10 VAL H   1 10 VAL HB  2.800 . 2.800 2.461 2.347 2.658     .  0 0 "[    .    1    .    2    . ]" 1 
       335 1 10 VAL H   1 10 VAL QG  2.800 . 5.200 2.314 1.933 2.535     .  0 0 "[    .    1    .    2    . ]" 1 
       336 1 10 VAL H   1 11 ILE H   2.800 . 2.800 2.751 2.461 2.836 0.036  1 0 "[    .    1    .    2    . ]" 1 
       337 1 10 VAL HA  1 11 ILE H   3.500 . 3.500 3.558 3.531 3.569 0.069  6 0 "[    .    1    .    2    . ]" 1 
       338 1 10 VAL HB  1 11 ILE H   2.800 . 2.800 2.253 1.927 2.795     .  0 0 "[    .    1    .    2    . ]" 1 
       339 1 11 ILE H   1 11 ILE HA  2.800 . 2.800 2.890 2.867 2.926 0.126 12 0 "[    .    1    .    2    . ]" 1 
       340 1 11 ILE H   1 11 ILE HB  3.500 . 3.500 3.559 3.545 3.601 0.101 12 0 "[    .    1    .    2    . ]" 1 
       341 1 11 ILE H   1 11 ILE MG  2.800 . 3.100 1.782 1.770 1.819     .  0 0 "[    .    1    .    2    . ]" 1 
       342 1 11 ILE H   1 11 ILE MD  2.800 . 3.100 1.846 1.830 1.867     .  0 0 "[    .    1    .    2    . ]" 1 
       343 1 11 ILE HA  1 12 GLN H   3.500 . 3.500 3.484 3.473 3.501 0.001  2 0 "[    .    1    .    2    . ]" 1 
       344 1 11 ILE MG  1 12 GLN H   3.500 . 3.800 3.187 3.134 3.247     .  0 0 "[    .    1    .    2    . ]" 1 
       345 1 11 ILE MD  1 12 GLN H   3.500 . 3.800 1.765 1.752 1.806     .  0 0 "[    .    1    .    2    . ]" 1 
       346 1 11 ILE HA  1 14 PHE H   5.000 . 5.000 2.624 2.600 2.646     .  0 0 "[    .    1    .    2    . ]" 1 
       347 1 11 ILE HA  1 15 ALA H   5.000 . 5.000 1.843 1.825 1.870     .  0 0 "[    .    1    .    2    . ]" 1 
       348 1 11 ILE MG  1 15 ALA H   5.000 . 5.300 3.822 3.761 3.863     .  0 0 "[    .    1    .    2    . ]" 1 
       349 1 11 ILE MD  1 15 ALA H   5.000 . 5.300 4.567 4.546 4.587     .  0 0 "[    .    1    .    2    . ]" 1 
       350 1 12 GLN H   1 12 GLN HA  2.800 . 2.800 2.744 2.728 2.752     .  0 0 "[    .    1    .    2    . ]" 1 
       351 1 12 GLN H   1 12 GLN QB  2.800 . 3.800 2.310 2.141 2.566     .  0 0 "[    .    1    .    2    . ]" 1 
       352 1 12 GLN H   1 12 GLN QG  2.800 . 3.800 2.750 2.210 3.302     .  0 0 "[    .    1    .    2    . ]" 1 
       353 1 12 GLN H   1 13 GLU H   2.800 . 2.800 2.876 2.855 2.916 0.116 11 0 "[    .    1    .    2    . ]" 1 
       354 1 12 GLN QG  1 13 GLU H   5.000 . 6.000 3.476 1.848 4.535     .  0 0 "[    .    1    .    2    . ]" 1 
       355 1 13 GLU H   1 13 GLU HA  2.800 . 2.800 2.942 2.939 2.945 0.145  6 0 "[    .    1    .    2    . ]" 1 
       356 1 13 GLU H   1 13 GLU QB  2.800 . 3.800 2.288 2.173 2.522     .  0 0 "[    .    1    .    2    . ]" 1 
       357 1 13 GLU HA  1 14 PHE H   3.500 . 3.500 3.524 3.515 3.530 0.030 22 0 "[    .    1    .    2    . ]" 1 
       358 1 13 GLU QB  1 14 PHE H   2.800 . 3.800 2.656 2.588 2.746     .  0 0 "[    .    1    .    2    . ]" 1 
       359 1 14 PHE H   1 14 PHE HA  2.800 . 2.800 2.922 2.913 2.927 0.127 14 0 "[    .    1    .    2    . ]" 1 
       360 1 14 PHE H   1 14 PHE HB3 3.500 . 3.500 3.553 3.511 3.575 0.075 23 0 "[    .    1    .    2    . ]" 1 
       361 1 14 PHE H   1 14 PHE HB2 2.800 . 2.800 2.267 2.205 2.309     .  0 0 "[    .    1    .    2    . ]" 1 
       362 1 14 PHE H   1 14 PHE QD  3.500 . 5.500 2.973 2.202 3.528     .  0 0 "[    .    1    .    2    . ]" 1 
       363 1 14 PHE H   1 14 PHE QE  5.000 . 7.000 4.900 4.553 5.180     .  0 0 "[    .    1    .    2    . ]" 1 
       364 1 14 PHE H   1 15 ALA MB  5.000 . 5.300 4.296 4.094 4.368     .  0 0 "[    .    1    .    2    . ]" 1 
       365 1 14 PHE HA  1 15 ALA H   3.500 . 3.500 3.582 3.571 3.591 0.091  2 0 "[    .    1    .    2    . ]" 1 
       366 1 14 PHE HB2 1 15 ALA H   5.000 . 5.000 2.252 2.130 2.454     .  0 0 "[    .    1    .    2    . ]" 1 
       367 1 14 PHE HB3 1 15 ALA H   2.800 . 2.800 2.789 2.647 2.842 0.042 23 0 "[    .    1    .    2    . ]" 1 
       368 1 14 PHE QD  1 15 ALA H   5.000 . 7.000 4.201 4.095 4.330     .  0 0 "[    .    1    .    2    . ]" 1 
       369 1 14 PHE QE  1 84 LEU H   5.000 . 7.000 5.472 4.605 6.416     .  0 0 "[    .    1    .    2    . ]" 1 
       370 1 15 ALA H   1 15 ALA HA  2.800 . 2.800 2.824 2.653 2.877 0.077 20 0 "[    .    1    .    2    . ]" 1 
       371 1 15 ALA H   1 15 ALA MB  2.800 . 3.100 2.250 2.113 2.342     .  0 0 "[    .    1    .    2    . ]" 1 
       372 1 15 ALA H   1 16 ARG H   5.000 . 5.000 4.495 3.692 4.644     .  0 0 "[    .    1    .    2    . ]" 1 
       373 1 15 ALA MB  1 16 ARG H   5.000 . 5.300 3.086 1.901 3.320     .  0 0 "[    .    1    .    2    . ]" 1 
       374 1 15 ALA MB  1 17 PHE H   3.500 . 3.800 2.506 2.048 2.672     .  0 0 "[    .    1    .    2    . ]" 1 
       375 1 15 ALA MB  1 19 GLY H   5.000 . 5.300 4.220 4.145 4.314     .  0 0 "[    .    1    .    2    . ]" 1 
       376 1 15 ALA MB  1 20 ASP H   3.500 . 3.800 2.879 2.785 3.265     .  0 0 "[    .    1    .    2    . ]" 1 
       377 1 16 ARG H   1 17 PHE H   3.500 . 3.500 2.761 2.404 2.854     .  0 0 "[    .    1    .    2    . ]" 1 
       378 1 16 ARG QB  1 17 PHE H   5.000 . 6.000 3.944 3.684 4.014     .  0 0 "[    .    1    .    2    . ]" 1 
       379 1 16 ARG QG  1 17 PHE H   3.500 . 4.500 3.598 3.364 4.211     .  0 0 "[    .    1    .    2    . ]" 1 
       380 1 17 PHE H   1 17 PHE QB  3.500 . 4.500 2.817 2.332 2.912     .  0 0 "[    .    1    .    2    . ]" 1 
       381 1 17 PHE H   1 20 ASP H   3.500 . 3.500 3.364 3.201 3.479     .  0 0 "[    .    1    .    2    . ]" 1 
       382 1 17 PHE H   1 21 THR H   5.000 . 5.000 5.155 5.126 5.207 0.207  6 0 "[    .    1    .    2    . ]" 1 
       383 1 18 PRO QB  1 19 GLY H   3.500 . 4.500 3.713 3.639 3.818     .  0 0 "[    .    1    .    2    . ]" 1 
       384 1 19 GLY H   1 20 ASP H   2.800 . 2.800 1.854 1.831 1.969     .  0 0 "[    .    1    .    2    . ]" 1 
       385 1 19 GLY QA  1 20 ASP H   2.800 . 3.800 2.939 2.823 2.956     .  0 0 "[    .    1    .    2    . ]" 1 
       386 1 20 ASP H   1 20 ASP HA  2.800 . 2.800 2.903 2.580 2.937 0.137 22 0 "[    .    1    .    2    . ]" 1 
       387 1 20 ASP H   1 20 ASP QB  2.800 . 3.800 2.261 2.172 2.512     .  0 0 "[    .    1    .    2    . ]" 1 
       388 1 20 ASP H   1 21 THR H   3.500 . 3.500 2.787 2.615 3.927 0.427  6 0 "[    .    1    .    2    . ]" 1 
       389 1 20 ASP HA  1 21 THR H   2.800 . 2.800 2.918 2.095 3.021 0.221 15 0 "[    .    1    .    2    . ]" 1 
       390 1 20 ASP HA  1 22 GLY H   3.500 . 3.500 3.517 3.328 3.586 0.086 11 0 "[    .    1    .    2    . ]" 1 
       391 1 21 THR H   1 21 THR MG  3.500 . 3.800 1.952 1.792 2.235     .  0 0 "[    .    1    .    2    . ]" 1 
       392 1 21 THR H   1 22 GLY H   2.800 . 2.800 2.150 1.730 2.231     .  0 0 "[    .    1    .    2    . ]" 1 
       393 1 21 THR MG  1 22 GLY H   5.000 . 5.300 2.797 2.027 3.741     .  0 0 "[    .    1    .    2    . ]" 1 
       394 1 21 THR H   1 23 SER H   3.500 . 3.500 3.561 3.056 3.623 0.123  9 0 "[    .    1    .    2    . ]" 1 
       395 1 22 GLY H   1 23 SER H   2.800 . 2.800 2.267 2.161 2.417     .  0 0 "[    .    1    .    2    . ]" 1 
       396 1 22 GLY QA  1 23 SER H   3.500 . 4.500 2.906 2.546 2.938     .  0 0 "[    .    1    .    2    . ]" 1 
       397 1 23 SER H   1 23 SER QB  2.800 . 3.800 2.247 2.070 2.791     .  0 0 "[    .    1    .    2    . ]" 1 
       398 1 23 SER QB  1 24 THR H   3.500 . 4.500 2.776 1.975 3.890     .  0 0 "[    .    1    .    2    . ]" 1 
       399 1 23 SER H   1 26 VAL H   5.000 . 5.000 4.475 3.600 4.761     .  0 0 "[    .    1    .    2    . ]" 1 
       400 1 23 SER H   1 26 VAL HB  3.500 . 3.500 3.478 2.794 3.532 0.032 23 0 "[    .    1    .    2    . ]" 1 
       401 1 23 SER H   1 26 VAL QG  5.000 . 7.400 3.299 1.896 3.834     .  0 0 "[    .    1    .    2    . ]" 1 
       402 1 23 SER QB  1 26 VAL H   5.000 . 6.000 3.039 2.307 3.980     .  0 0 "[    .    1    .    2    . ]" 1 
       403 1 24 THR HB  1 25 GLU H   3.500 . 3.500 2.935 1.969 3.294     .  0 0 "[    .    1    .    2    . ]" 1 
       404 1 24 THR MG  1 25 GLU H   5.000 . 5.300 3.462 2.101 3.722     .  0 0 "[    .    1    .    2    . ]" 1 
       405 1 24 THR MG  1 28 VAL H   5.000 . 5.300 3.706 3.438 3.927     .  0 0 "[    .    1    .    2    . ]" 1 
       406 1 25 GLU H   1 25 GLU HB2 3.500 . 3.500 2.337 2.191 2.656     .  0 0 "[    .    1    .    2    . ]" 1 
       407 1 25 GLU H   1 25 GLU HB3 3.500 . 3.500 3.565 3.516 3.613 0.113  6 0 "[    .    1    .    2    . ]" 1 
       408 1 25 GLU H   1 26 VAL H   5.000 . 5.000 2.772 2.499 3.054     .  0 0 "[    .    1    .    2    . ]" 1 
       409 1 25 GLU HA  1 26 VAL H   5.000 . 5.000 3.568 3.545 3.582     .  0 0 "[    .    1    .    2    . ]" 1 
       410 1 25 GLU HB2 1 26 VAL H   2.800 . 2.800 2.357 2.111 2.575     .  0 0 "[    .    1    .    2    . ]" 1 
       411 1 25 GLU QG  1 26 VAL H   3.500 . 4.500 4.083 3.993 4.118     .  0 0 "[    .    1    .    2    . ]" 1 
       412 1 26 VAL H   1 26 VAL HA  2.800 . 2.800 2.815 2.767 2.861 0.061  8 0 "[    .    1    .    2    . ]" 1 
       413 1 26 VAL H   1 26 VAL HB  2.800 . 2.800 2.565 2.338 2.836 0.036 11 0 "[    .    1    .    2    . ]" 1 
       414 1 26 VAL H   1 26 VAL QG  3.500 . 5.900 2.180 1.832 2.435     .  0 0 "[    .    1    .    2    . ]" 1 
       415 1 26 VAL H   1 27 GLN H   2.800 . 2.800 2.790 2.672 2.851 0.051  6 0 "[    .    1    .    2    . ]" 1 
       416 1 26 VAL QG  1 27 GLN H   3.500 . 5.900 3.295 3.153 3.435     .  0 0 "[    .    1    .    2    . ]" 1 
       417 1 26 VAL H   1 29 ALA H   5.000 . 5.000 4.999 4.875 5.056 0.056 20 0 "[    .    1    .    2    . ]" 1 
       418 1 26 VAL HA  1 29 ALA H   3.500 . 3.500 3.538 3.484 3.585 0.085  8 0 "[    .    1    .    2    . ]" 1 
       419 1 26 VAL QG  1 29 ALA H   5.000 . 7.400 4.195 4.065 4.322     .  0 0 "[    .    1    .    2    . ]" 1 
       420 1 26 VAL HA  1 30 LEU H   5.000 . 5.000 4.673 4.424 4.848     .  0 0 "[    .    1    .    2    . ]" 1 
       421 1 27 GLN H   1 27 GLN HA  2.800 . 2.800 2.879 2.843 2.908 0.108  8 0 "[    .    1    .    2    . ]" 1 
       422 1 27 GLN H   1 27 GLN QB  2.800 . 3.800 2.426 2.119 2.647     .  0 0 "[    .    1    .    2    . ]" 1 
       423 1 27 GLN H   1 27 GLN QG  2.800 . 3.800 2.335 1.858 3.153     .  0 0 "[    .    1    .    2    . ]" 1 
       424 1 27 GLN H   1 27 GLN QE  5.000 . 6.000 4.727 3.471 5.288     .  0 0 "[    .    1    .    2    . ]" 1 
       425 1 27 GLN QE  1 27 GLN QG  2.800 . 4.800 2.315 2.182 2.604     .  0 0 "[    .    1    .    2    . ]" 1 
       426 1 27 GLN H   1 28 VAL H   2.800 . 2.800 2.654 2.467 2.782     .  0 0 "[    .    1    .    2    . ]" 1 
       427 1 27 GLN HA  1 28 VAL H   5.000 . 5.000 3.565 3.476 3.584     .  0 0 "[    .    1    .    2    . ]" 1 
       428 1 27 GLN QG  1 28 VAL H   5.000 . 6.000 3.467 1.783 4.309     .  0 0 "[    .    1    .    2    . ]" 1 
       429 1 27 GLN HA  1 30 LEU H   2.800 . 2.800 2.910 2.886 2.935 0.135 16 0 "[    .    1    .    2    . ]" 1 
       430 1 28 VAL H   1 28 VAL HA  2.800 . 2.800 2.806 2.792 2.865 0.065  7 0 "[    .    1    .    2    . ]" 1 
       431 1 28 VAL H   1 28 VAL HB  2.800 . 2.800 2.458 2.339 2.526     .  0 0 "[    .    1    .    2    . ]" 1 
       432 1 28 VAL H   1 28 VAL QG  3.500 . 5.900 2.251 2.148 2.398     .  0 0 "[    .    1    .    2    . ]" 1 
       433 1 28 VAL H   1 29 ALA H   2.800 . 2.800 2.762 2.555 2.803 0.003 23 0 "[    .    1    .    2    . ]" 1 
       434 1 28 VAL HB  1 29 ALA H   2.800 . 2.800 2.808 2.788 2.821 0.021 17 0 "[    .    1    .    2    . ]" 1 
       435 1 28 VAL QG  1 29 ALA H   5.000 . 7.400 3.237 3.161 3.302     .  0 0 "[    .    1    .    2    . ]" 1 
       436 1 28 VAL HA  1 31 LEU H   3.500 . 3.500 3.300 3.215 3.382     .  0 0 "[    .    1    .    2    . ]" 1 
       437 1 29 ALA H   1 29 ALA HA  2.800 . 2.800 2.881 2.871 2.894 0.094  7 0 "[    .    1    .    2    . ]" 1 
       438 1 29 ALA H   1 29 ALA MB  2.800 . 3.100 2.170 2.061 2.270     .  0 0 "[    .    1    .    2    . ]" 1 
       439 1 29 ALA H   1 30 LEU HB3 5.000 . 5.000 4.709 4.686 4.738     .  0 0 "[    .    1    .    2    . ]" 1 
       440 1 29 ALA HA  1 30 LEU H   3.500 . 3.500 3.563 3.555 3.569 0.069 17 0 "[    .    1    .    2    . ]" 1 
       441 1 29 ALA MB  1 30 LEU H   3.500 . 3.800 2.509 2.431 2.645     .  0 0 "[    .    1    .    2    . ]" 1 
       442 1 29 ALA HA  1 33 LEU H   5.000 . 5.000 5.009 4.779 5.046 0.046 15 0 "[    .    1    .    2    . ]" 1 
       443 1 30 LEU H   1 30 LEU HA  2.800 . 2.800 2.874 2.863 2.903 0.103  7 0 "[    .    1    .    2    . ]" 1 
       444 1 30 LEU H   1 30 LEU HB3 3.500 . 3.500 2.273 2.254 2.350     .  0 0 "[    .    1    .    2    . ]" 1 
       445 1 30 LEU H   1 30 LEU HB2 3.500 . 3.500 3.558 3.549 3.589 0.089  7 0 "[    .    1    .    2    . ]" 1 
       446 1 30 LEU H   1 30 LEU QD  3.500 . 5.900 3.119 3.029 3.177     .  0 0 "[    .    1    .    2    . ]" 1 
       447 1 30 LEU H   1 31 LEU H   3.500 . 3.500 2.550 2.465 2.573     .  0 0 "[    .    1    .    2    . ]" 1 
       448 1 30 LEU HA  1 33 LEU H   3.500 . 3.500 3.126 2.965 3.337     .  0 0 "[    .    1    .    2    . ]" 1 
       449 1 31 LEU H   1 31 LEU HA  2.800 . 2.800 2.876 2.860 2.904 0.104 18 0 "[    .    1    .    2    . ]" 1 
       450 1 31 LEU H   1 31 LEU HB3 3.500 . 3.500 2.228 2.204 2.287     .  0 0 "[    .    1    .    2    . ]" 1 
       451 1 31 LEU H   1 31 LEU HB2 3.500 . 3.500 3.532 3.520 3.563 0.063 23 0 "[    .    1    .    2    . ]" 1 
       452 1 31 LEU H   1 31 LEU QD  3.500 . 5.900 3.268 3.246 3.279     .  0 0 "[    .    1    .    2    . ]" 1 
       453 1 31 LEU QD  1 62 ARG H   5.000 . 7.400 4.019 3.251 5.166     .  0 0 "[    .    1    .    2    . ]" 1 
       454 1 32 THR H   1 32 THR HB  2.800 . 2.800 2.192 2.076 2.263     .  0 0 "[    .    1    .    2    . ]" 1 
       455 1 32 THR H   1 32 THR MG  3.500 . 3.800 2.791 2.592 3.168     .  0 0 "[    .    1    .    2    . ]" 1 
       456 1 32 THR H   1 33 LEU H   2.800 . 2.800 2.559 2.450 2.639     .  0 0 "[    .    1    .    2    . ]" 1 
       457 1 32 THR HA  1 33 LEU H   5.000 . 5.000 3.558 3.534 3.581     .  0 0 "[    .    1    .    2    . ]" 1 
       458 1 32 THR HB  1 33 LEU H   3.500 . 3.500 3.435 3.061 3.543 0.043 19 0 "[    .    1    .    2    . ]" 1 
       459 1 32 THR HA  1 35 ILE H   3.500 . 3.500 3.475 3.387 3.527 0.027  7 0 "[    .    1    .    2    . ]" 1 
       460 1 32 THR HA  1 36 ASN H   5.000 . 5.000 4.323 4.221 4.601     .  0 0 "[    .    1    .    2    . ]" 1 
       461 1 32 THR MG  1 33 LEU H   5.000 . 6.300 1.951 1.812 2.292     .  0 0 "[    .    1    .    2    . ]" 1 
       462 1 32 THR MG  1 36 ASN QD  3.500 . 4.800 2.825 2.164 3.317     .  0 0 "[    .    1    .    2    . ]" 1 
       463 1 33 LEU H   1 33 LEU HA  2.800 . 2.800 2.823 2.809 2.850 0.050  8 0 "[    .    1    .    2    . ]" 1 
       464 1 33 LEU H   1 33 LEU HG  5.000 . 5.000 3.951 2.565 4.474     .  0 0 "[    .    1    .    2    . ]" 1 
       465 1 33 LEU H   1 33 LEU QB  2.800 . 3.800 2.173 2.064 2.282     .  0 0 "[    .    1    .    2    . ]" 1 
       466 1 33 LEU H   1 33 LEU QD  3.500 . 5.900 3.167 2.098 3.741     .  0 0 "[    .    1    .    2    . ]" 1 
       467 1 33 LEU HA  1 34 ARG H   5.000 . 5.000 3.586 3.560 3.591     .  0 0 "[    .    1    .    2    . ]" 1 
       468 1 33 LEU H   1 35 ILE H   5.000 . 5.000 3.859 3.787 3.921     .  0 0 "[    .    1    .    2    . ]" 1 
       469 1 33 LEU HA  1 36 ASN H   3.500 . 3.500 3.472 3.280 3.540 0.040  4 0 "[    .    1    .    2    . ]" 1 
       470 1 33 LEU HA  1 36 ASN QD  3.500 . 4.500 2.942 1.755 3.878     .  0 0 "[    .    1    .    2    . ]" 1 
       471 1 34 ARG H   1 34 ARG HA  2.800 . 2.800 2.813 2.763 2.862 0.062 23 0 "[    .    1    .    2    . ]" 1 
       472 1 34 ARG H   1 34 ARG QB  2.800 . 3.800 2.215 2.065 2.662     .  0 0 "[    .    1    .    2    . ]" 1 
       473 1 34 ARG H   1 34 ARG QD  3.500 . 4.500 3.441 2.175 4.061     .  0 0 "[    .    1    .    2    . ]" 1 
       474 1 34 ARG H   1 35 ILE H   3.500 . 3.500 2.765 2.619 2.874     .  0 0 "[    .    1    .    2    . ]" 1 
       475 1 34 ARG QB  1 35 ILE H   2.800 . 3.800 3.060 2.925 3.184     .  0 0 "[    .    1    .    2    . ]" 1 
       476 1 35 ILE H   1 35 ILE HA  2.800 . 2.800 2.889 2.857 2.916 0.116 11 0 "[    .    1    .    2    . ]" 1 
       477 1 35 ILE H   1 35 ILE HB  2.800 . 2.800 2.036 2.008 2.077     .  0 0 "[    .    1    .    2    . ]" 1 
       478 1 35 ILE H   1 35 ILE MG  3.500 . 3.800 3.302 3.265 3.346     .  0 0 "[    .    1    .    2    . ]" 1 
       479 1 35 ILE H   1 35 ILE MD  5.000 . 5.300 2.972 2.617 3.332     .  0 0 "[    .    1    .    2    . ]" 1 
       480 1 35 ILE H   1 36 ASN H   3.500 . 3.500 2.577 2.440 2.770     .  0 0 "[    .    1    .    2    . ]" 1 
       481 1 35 ILE HB  1 36 ASN H   2.800 . 2.800 2.844 2.809 2.872 0.072 11 0 "[    .    1    .    2    . ]" 1 
       482 1 35 ILE MG  1 36 ASN H   3.500 . 3.800 2.102 1.860 2.414     .  0 0 "[    .    1    .    2    . ]" 1 
       483 1 35 ILE MD  1 36 ASN H   5.000 . 5.300 4.399 4.331 4.429     .  0 0 "[    .    1    .    2    . ]" 1 
       484 1 35 ILE HA  1 38 LEU H   5.000 . 5.000 3.744 3.668 3.813     .  0 0 "[    .    1    .    2    . ]" 1 
       485 1 36 ASN H   1 36 ASN HA  2.800 . 2.800 2.839 2.831 2.847 0.047 25 0 "[    .    1    .    2    . ]" 1 
       486 1 36 ASN H   1 36 ASN QB  2.800 . 3.800 2.407 2.189 2.751     .  0 0 "[    .    1    .    2    . ]" 1 
       487 1 36 ASN H   1 36 ASN QD  5.000 . 6.000 2.981 2.192 3.684     .  0 0 "[    .    1    .    2    . ]" 1 
       488 1 36 ASN QB  1 36 ASN QD  2.800 . 4.800 2.252 2.174 2.695     .  0 0 "[    .    1    .    2    . ]" 1 
       489 1 36 ASN HA  1 37 ARG H   5.000 . 5.000 3.570 3.556 3.589     .  0 0 "[    .    1    .    2    . ]" 1 
       490 1 36 ASN QB  1 37 ARG H   2.800 . 3.800 2.660 2.427 3.458     .  0 0 "[    .    1    .    2    . ]" 1 
       491 1 36 ASN HA  1 39 SER H   5.000 . 5.000 3.926 3.864 3.980     .  0 0 "[    .    1    .    2    . ]" 1 
       492 1 37 ARG H   1 37 ARG HA  2.800 . 2.800 2.909 2.902 2.918 0.118 12 0 "[    .    1    .    2    . ]" 1 
       493 1 37 ARG H   1 37 ARG QB  2.800 . 3.800 2.160 2.128 2.272     .  0 0 "[    .    1    .    2    . ]" 1 
       494 1 37 ARG HA  1 38 LEU H   2.800 . 2.800 3.108 3.093 3.131 0.331 11 0 "[    .    1    .    2    . ]" 1 
       495 1 37 ARG QB  1 38 LEU H   2.800 . 3.800 3.506 3.475 3.521     .  0 0 "[    .    1    .    2    . ]" 1 
       496 1 38 LEU H   1 38 LEU HA  2.800 . 2.800 2.936 2.933 2.938 0.138  2 0 "[    .    1    .    2    . ]" 1 
       497 1 38 LEU H   1 38 LEU QB  2.800 . 3.800 2.257 2.178 2.353     .  0 0 "[    .    1    .    2    . ]" 1 
       498 1 38 LEU H   1 38 LEU QD  2.800 . 5.200 3.428 2.952 3.801     .  0 0 "[    .    1    .    2    . ]" 1 
       499 1 38 LEU H   1 39 SER H   2.800 . 2.800 2.239 2.185 2.305     .  0 0 "[    .    1    .    2    . ]" 1 
       500 1 38 LEU QB  1 39 SER H   2.800 . 3.800 2.724 2.465 2.969     .  0 0 "[    .    1    .    2    . ]" 1 
       501 1 38 LEU QD  1 39 SER H   5.000 . 7.400 3.808 3.286 4.122     .  0 0 "[    .    1    .    2    . ]" 1 
       502 1 38 LEU QD  1 41 HIS H   5.000 . 7.400 4.239 3.516 4.893     .  0 0 "[    .    1    .    2    . ]" 1 
       503 1 39 SER H   1 39 SER QB  2.800 . 3.800 2.267 2.210 2.327     .  0 0 "[    .    1    .    2    . ]" 1 
       504 1 39 SER H   1 40 GLU H   2.800 . 2.800 2.573 2.335 2.807 0.007 19 0 "[    .    1    .    2    . ]" 1 
       505 1 40 GLU H   1 40 GLU HA  2.800 . 2.800 2.930 2.900 2.936 0.136  8 0 "[    .    1    .    2    . ]" 1 
       506 1 40 GLU H   1 40 GLU QB  2.800 . 3.800 2.208 2.135 2.781     .  0 0 "[    .    1    .    2    . ]" 1 
       507 1 40 GLU H   1 41 HIS H   3.500 . 3.500 2.580 1.845 2.687     .  0 0 "[    .    1    .    2    . ]" 1 
       508 1 40 GLU HA  1 41 HIS H   2.800 . 2.800 3.001 2.958 3.026 0.226 11 0 "[    .    1    .    2    . ]" 1 
       509 1 40 GLU QB  1 41 HIS H   2.800 . 3.800 3.610 3.590 3.649     .  0 0 "[    .    1    .    2    . ]" 1 
       510 1 41 HIS H   1 41 HIS HA  2.800 . 2.800 2.913 2.859 2.935 0.135 13 0 "[    .    1    .    2    . ]" 1 
       511 1 41 HIS H   1 41 HIS QB  2.800 . 3.800 2.177 2.100 2.419     .  0 0 "[    .    1    .    2    . ]" 1 
       512 1 41 HIS H   1 42 LEU H   3.500 . 3.500 2.818 2.312 3.197     .  0 0 "[    .    1    .    2    . ]" 1 
       513 1 41 HIS HA  1 42 LEU H   3.500 . 3.500 3.545 3.497 3.568 0.068 16 0 "[    .    1    .    2    . ]" 1 
       514 1 41 HIS QB  1 42 LEU H   2.800 . 3.800 2.154 1.846 3.517     .  0 0 "[    .    1    .    2    . ]" 1 
       515 1 42 LEU H   1 42 LEU HA  2.800 . 2.800 2.876 2.860 2.922 0.122 22 0 "[    .    1    .    2    . ]" 1 
       516 1 42 LEU H   1 42 LEU HB2 3.500 . 3.500 2.421 2.222 2.816     .  0 0 "[    .    1    .    2    . ]" 1 
       517 1 42 LEU H   1 42 LEU HB3 3.500 . 3.500 3.563 3.531 3.589 0.089  1 0 "[    .    1    .    2    . ]" 1 
       518 1 42 LEU H   1 42 LEU QD  2.800 . 5.200 2.383 1.829 3.113     .  0 0 "[    .    1    .    2    . ]" 1 
       519 1 42 LEU H   1 43 LYS H   2.800 . 2.800 2.640 2.436 2.710     .  0 0 "[    .    1    .    2    . ]" 1 
       520 1 43 LYS H   1 43 LYS HA  2.800 . 2.800 2.917 2.913 2.923 0.123 24 0 "[    .    1    .    2    . ]" 1 
       521 1 43 LYS H   1 43 LYS QB  2.800 . 3.800 2.130 2.109 2.247     .  0 0 "[    .    1    .    2    . ]" 1 
       522 1 43 LYS H   1 43 LYS QG  2.800 . 3.800 3.323 3.022 3.460     .  0 0 "[    .    1    .    2    . ]" 1 
       523 1 43 LYS H   1 44 VAL H   3.500 . 3.500 2.705 2.695 2.724     .  0 0 "[    .    1    .    2    . ]" 1 
       524 1 43 LYS HA  1 44 VAL H   2.800 . 2.800 3.028 3.006 3.043 0.243 19 0 "[    .    1    .    2    . ]" 1 
       525 1 43 LYS QB  1 44 VAL H   2.800 . 3.800 3.576 3.555 3.590     .  0 0 "[    .    1    .    2    . ]" 1 
       526 1 44 VAL H   1 44 VAL HA  2.800 . 2.800 2.900 2.894 2.907 0.107 10 0 "[    .    1    .    2    . ]" 1 
       527 1 44 VAL H   1 44 VAL HB  2.800 . 2.800 2.865 2.845 2.882 0.082 23 0 "[    .    1    .    2    . ]" 1 
       528 1 44 VAL H   1 44 VAL QG  2.800 . 5.200 3.161 3.127 3.188     .  0 0 "[    .    1    .    2    . ]" 1 
       529 1 44 VAL H   1 45 HIS H   2.800 . 2.800 1.834 1.814 1.843     .  0 0 "[    .    1    .    2    . ]" 1 
       530 1 44 VAL HB  1 45 HIS H   2.800 . 2.800 2.644 2.606 2.677     .  0 0 "[    .    1    .    2    . ]" 1 
       531 1 44 VAL QG  1 45 HIS H   3.500 . 5.900 3.094 3.041 3.146     .  0 0 "[    .    1    .    2    . ]" 1 
       532 1 45 HIS H   1 45 HIS HA  2.800 . 2.800 2.793 2.752 2.841 0.041 13 0 "[    .    1    .    2    . ]" 1 
       533 1 45 HIS H   1 45 HIS HB3 3.500 . 3.500 3.522 3.495 3.545 0.045 23 0 "[    .    1    .    2    . ]" 1 
       534 1 45 HIS H   1 45 HIS HB2 3.500 . 3.500 2.211 2.165 2.252     .  0 0 "[    .    1    .    2    . ]" 1 
       535 1 46 LYS H   1 46 LYS HA  2.800 . 2.800 2.677 2.346 2.964 0.164  9 0 "[    .    1    .    2    . ]" 1 
       536 1 46 LYS H   1 46 LYS QB  2.800 . 3.800 2.999 2.126 3.465     .  0 0 "[    .    1    .    2    . ]" 1 
       537 1 46 LYS H   1 46 LYS QG  2.800 . 3.800 2.695 1.902 3.450     .  0 0 "[    .    1    .    2    . ]" 1 
       538 1 46 LYS H   1 47 LYS H   3.500 . 3.500 2.714 1.833 3.529 0.029 16 0 "[    .    1    .    2    . ]" 1 
       539 1 47 LYS H   1 47 LYS HA  2.800 . 2.800 2.677 2.346 2.901 0.101  8 0 "[    .    1    .    2    . ]" 1 
       540 1 47 LYS H   1 47 LYS QB  2.800 . 3.800 3.353 2.851 3.505     .  0 0 "[    .    1    .    2    . ]" 1 
       541 1 47 LYS H   1 47 LYS QG  2.800 . 3.800 2.733 2.386 3.453     .  0 0 "[    .    1    .    2    . ]" 1 
       542 1 47 LYS H   1 48 ASP H   2.800 . 2.800 2.546 1.864 2.824 0.024 16 0 "[    .    1    .    2    . ]" 1 
       543 1 48 ASP H   1 48 ASP HA  2.800 . 2.800 2.808 2.357 2.893 0.093 18 0 "[    .    1    .    2    . ]" 1 
       544 1 48 ASP H   1 48 ASP QB  2.800 . 3.800 2.667 2.076 3.086     .  0 0 "[    .    1    .    2    . ]" 1 
       545 1 48 ASP H   1 49 HIS H   3.500 . 3.500 2.785 1.863 3.452     .  0 0 "[    .    1    .    2    . ]" 1 
       546 1 48 ASP QB  1 49 HIS H   5.000 . 6.000 3.235 1.869 3.992     .  0 0 "[    .    1    .    2    . ]" 1 
       547 1 49 HIS H   1 49 HIS HA  2.800 . 2.800 2.584 2.345 2.857 0.057 18 0 "[    .    1    .    2    . ]" 1 
       548 1 49 HIS H   1 49 HIS QB  2.800 . 3.800 2.805 2.070 3.451     .  0 0 "[    .    1    .    2    . ]" 1 
       549 1 50 HIS H   1 50 HIS QB  2.800 . 3.800 2.689 2.189 3.113     .  0 0 "[    .    1    .    2    . ]" 1 
       550 1 50 HIS H   1 51 SER H   2.800 . 2.800 2.264 1.887 2.732     .  0 0 "[    .    1    .    2    . ]" 1 
       551 1 50 HIS HA  1 51 SER H   2.800 . 2.800 2.982 2.955 3.000 0.200 16 0 "[    .    1    .    2    . ]" 1 
       552 1 50 HIS QB  1 51 SER H   2.800 . 3.800 3.623 3.609 3.644     .  0 0 "[    .    1    .    2    . ]" 1 
       553 1 51 SER H   1 51 SER HA  2.800 . 2.800 2.820 2.354 2.949 0.149 24 0 "[    .    1    .    2    . ]" 1 
       554 1 51 SER H   1 51 SER QB  2.800 . 3.800 2.635 2.076 3.454     .  0 0 "[    .    1    .    2    . ]" 1 
       555 1 51 SER QB  1 52 HIS H   3.500 . 4.500 2.919 1.850 3.990     .  0 0 "[    .    1    .    2    . ]" 1 
       556 1 52 HIS H   1 52 HIS HA  2.800 . 2.800 2.695 2.345 2.886 0.086 15 0 "[    .    1    .    2    . ]" 1 
       557 1 52 HIS H   1 52 HIS QB  2.800 . 3.800 3.078 2.149 3.454     .  0 0 "[    .    1    .    2    . ]" 1 
       558 1 52 HIS HA  1 53 ARG H   3.500 . 3.500 3.169 2.861 3.546 0.046 14 0 "[    .    1    .    2    . ]" 1 
       559 1 52 HIS HA  1 55 LEU H   3.500 . 3.500 3.264 2.872 3.514 0.014 17 0 "[    .    1    .    2    . ]" 1 
       560 1 53 ARG H   1 53 ARG HA  2.800 . 2.800 2.834 2.761 2.921 0.121 16 0 "[    .    1    .    2    . ]" 1 
       561 1 53 ARG H   1 53 ARG QB  2.800 . 3.800 2.247 2.057 2.670     .  0 0 "[    .    1    .    2    . ]" 1 
       562 1 53 ARG QB  1 54 GLY H   3.500 . 4.500 2.898 1.856 3.921     .  0 0 "[    .    1    .    2    . ]" 1 
       563 1 54 GLY QA  1 55 LEU H   3.500 . 4.500 2.775 2.514 2.940     .  0 0 "[    .    1    .    2    . ]" 1 
       564 1 55 LEU H   1 55 LEU HA  2.800 . 2.800 2.896 2.826 2.933 0.133 13 0 "[    .    1    .    2    . ]" 1 
       565 1 55 LEU H   1 55 LEU QB  2.800 . 3.800 2.199 2.060 2.687     .  0 0 "[    .    1    .    2    . ]" 1 
       566 1 55 LEU H   1 55 LEU QD  3.500 . 5.900 3.024 2.264 3.691     .  0 0 "[    .    1    .    2    . ]" 1 
       567 1 55 LEU HA  1 56 LEU H   2.800 . 2.800 2.897 2.822 2.961 0.161 22 0 "[    .    1    .    2    . ]" 1 
       568 1 55 LEU QB  1 56 LEU H   3.500 . 4.500 3.150 1.858 4.033     .  0 0 "[    .    1    .    2    . ]" 1 
       569 1 56 LEU H   1 56 LEU HA  2.800 . 2.800 2.881 2.740 2.954 0.154  8 0 "[    .    1    .    2    . ]" 1 
       570 1 56 LEU H   1 56 LEU HB2 2.800 . 2.800 2.374 2.269 2.510     .  0 0 "[    .    1    .    2    . ]" 1 
       571 1 56 LEU H   1 56 LEU HB3 3.500 . 3.500 3.614 3.558 3.694 0.194  8 0 "[    .    1    .    2    . ]" 1 
       572 1 56 LEU H   1 56 LEU HG  2.800 . 2.800 2.785 2.208 2.843 0.043  9 0 "[    .    1    .    2    . ]" 1 
       573 1 56 LEU H   1 56 LEU QD  3.500 . 5.900 3.292 2.864 3.444     .  0 0 "[    .    1    .    2    . ]" 1 
       574 1 56 LEU H   1 57 MET H   3.500 . 3.500 2.485 2.049 3.529 0.029 16 0 "[    .    1    .    2    . ]" 1 
       575 1 56 LEU HB3 1 57 MET H   3.500 . 3.500 3.331 2.151 3.537 0.037 23 0 "[    .    1    .    2    . ]" 1 
       576 1 56 LEU QD  1 57 MET H   3.500 . 5.900 3.989 3.373 4.238     .  0 0 "[    .    1    .    2    . ]" 1 
       577 1 57 MET H   1 57 MET HA  2.800 . 2.800 2.716 2.337 2.810 0.010 17 0 "[    .    1    .    2    . ]" 1 
       578 1 57 MET H   1 57 MET QB  2.800 . 3.800 2.370 2.092 3.218     .  0 0 "[    .    1    .    2    . ]" 1 
       579 1 57 MET H   1 57 MET QG  3.500 . 4.500 3.669 2.432 4.153     .  0 0 "[    .    1    .    2    . ]" 1 
       580 1 57 MET QB  1 58 MET H   2.800 . 3.800 2.432 1.831 2.814     .  0 0 "[    .    1    .    2    . ]" 1 
       581 1 58 MET H   1 58 MET HA  2.800 . 2.800 2.830 2.776 2.922 0.122  4 0 "[    .    1    .    2    . ]" 1 
       582 1 58 MET H   1 58 MET QB  2.800 . 3.800 2.320 2.059 2.771     .  0 0 "[    .    1    .    2    . ]" 1 
       583 1 58 MET H   1 58 MET QG  2.800 . 3.800 2.662 1.865 3.474     .  0 0 "[    .    1    .    2    . ]" 1 
       584 1 58 MET H   1 59 VAL H   2.800 . 2.800 2.780 2.413 2.830 0.030 25 0 "[    .    1    .    2    . ]" 1 
       585 1 58 MET QB  1 59 VAL H   3.500 . 4.500 2.943 2.220 3.736     .  0 0 "[    .    1    .    2    . ]" 1 
       586 1 59 VAL H   1 59 VAL HA  2.800 . 2.800 2.849 2.793 2.869 0.069  3 0 "[    .    1    .    2    . ]" 1 
       587 1 59 VAL H   1 59 VAL HB  2.800 . 2.800 2.528 2.198 2.790     .  0 0 "[    .    1    .    2    . ]" 1 
       588 1 59 VAL H   1 60 GLY H   2.800 . 2.800 2.679 2.577 2.838 0.038 16 0 "[    .    1    .    2    . ]" 1 
       589 1 59 VAL HA  1 60 GLY H   5.000 . 5.000 3.517 3.390 3.577     .  0 0 "[    .    1    .    2    . ]" 1 
       590 1 59 VAL HB  1 60 GLY H   3.500 . 3.500 2.852 2.393 3.573 0.073 16 0 "[    .    1    .    2    . ]" 1 
       591 1 59 VAL HA  1 62 ARG H   5.000 . 5.000 4.734 4.035 5.021 0.021  8 0 "[    .    1    .    2    . ]" 1 
       592 1 59 VAL HA  1 62 ARG HE  5.000 . 5.000 4.079 2.292 5.016 0.016 13 0 "[    .    1    .    2    . ]" 1 
       593 1 61 GLN H   1 61 GLN HA  2.800 . 2.800 2.929 2.903 2.958 0.158 24 0 "[    .    1    .    2    . ]" 1 
       594 1 61 GLN H   1 61 GLN QB  2.800 . 3.800 2.286 2.133 2.758     .  0 0 "[    .    1    .    2    . ]" 1 
       595 1 61 GLN H   1 61 GLN QG  3.500 . 4.500 3.673 3.433 3.995     .  0 0 "[    .    1    .    2    . ]" 1 
       596 1 61 GLN H   1 62 ARG H   2.800 . 2.800 2.466 1.849 2.690     .  0 0 "[    .    1    .    2    . ]" 1 
       597 1 61 GLN HA  1 62 ARG H   2.800 . 2.800 2.993 2.957 3.018 0.218  8 0 "[    .    1    .    2    . ]" 1 
       598 1 61 GLN QB  1 62 ARG H   2.800 . 3.800 3.615 3.596 3.645     .  0 0 "[    .    1    .    2    . ]" 1 
       599 1 62 ARG H   1 62 ARG QB  2.800 . 3.800 2.631 2.298 3.240     .  0 0 "[    .    1    .    2    . ]" 1 
       600 1 62 ARG H   1 63 ARG H   2.800 . 2.800 1.923 1.833 2.483     .  0 0 "[    .    1    .    2    . ]" 1 
       601 1 63 ARG H   1 63 ARG HA  2.800 . 2.800 2.854 2.799 2.882 0.082  8 0 "[    .    1    .    2    . ]" 1 
       602 1 63 ARG H   1 64 ARG H   2.800 . 2.800 2.673 2.506 2.813 0.013 19 0 "[    .    1    .    2    . ]" 1 
       603 1 64 ARG H   1 64 ARG HA  2.800 . 2.800 2.914 2.858 2.969 0.169 11 0 "[    .    1    .    2    . ]" 1 
       604 1 66 LEU H   1 66 LEU HA  2.800 . 2.800 2.834 2.784 2.939 0.139 25 0 "[    .    1    .    2    . ]" 1 
       605 1 66 LEU H   1 66 LEU QB  2.800 . 3.800 2.537 2.258 2.752     .  0 0 "[    .    1    .    2    . ]" 1 
       606 1 66 LEU H   1 66 LEU QD  2.800 . 5.200 2.711 1.902 3.768     .  0 0 "[    .    1    .    2    . ]" 1 
       607 1 66 LEU QB  1 67 ARG H   2.800 . 3.800 3.180 2.084 3.578     .  0 0 "[    .    1    .    2    . ]" 1 
       608 1 66 LEU H   1 77 TYR QE  3.500 . 5.500 4.459 4.077 4.808     .  0 0 "[    .    1    .    2    . ]" 1 
       609 1 66 LEU QD  1 77 TYR QD  5.000 . 9.400 4.103 3.013 5.245     .  0 0 "[    .    1    .    2    . ]" 1 
       610 1 66 LEU QD  1 77 TYR QE  5.000 . 9.400 3.002 2.043 4.112     .  0 0 "[    .    1    .    2    . ]" 1 
       611 1 67 ARG H   1 67 ARG HA  2.800 . 2.800 2.868 2.754 2.956 0.156 23 0 "[    .    1    .    2    . ]" 1 
       612 1 67 ARG H   1 68 TYR H   2.800 . 2.800 2.684 1.998 2.872 0.072 10 0 "[    .    1    .    2    . ]" 1 
       613 1 68 TYR H   1 68 TYR HA  2.800 . 2.800 2.848 2.338 2.965 0.165  1 0 "[    .    1    .    2    . ]" 1 
       614 1 68 TYR H   1 68 TYR QB  2.800 . 3.800 2.499 2.133 3.100     .  0 0 "[    .    1    .    2    . ]" 1 
       615 1 68 TYR H   1 68 TYR QD  3.500 . 5.500 4.016 3.294 4.517     .  0 0 "[    .    1    .    2    . ]" 1 
       616 1 68 TYR H   1 69 LEU H   2.800 . 2.800 2.736 2.301 2.835 0.035  3 0 "[    .    1    .    2    . ]" 1 
       617 1 68 TYR QB  1 69 LEU H   2.800 . 3.800 2.193 1.840 3.425     .  0 0 "[    .    1    .    2    . ]" 1 
       618 1 68 TYR QD  1 69 LEU H   5.000 . 7.000 3.895 3.214 4.619     .  0 0 "[    .    1    .    2    . ]" 1 
       619 1 68 TYR HA  1 71 ARG H   5.000 . 5.000 4.212 3.802 4.644     .  0 0 "[    .    1    .    2    . ]" 1 
       620 1 69 LEU H   1 69 LEU HA  2.800 . 2.800 2.889 2.844 2.936 0.136 21 0 "[    .    1    .    2    . ]" 1 
       621 1 69 LEU H   1 69 LEU QB  2.800 . 3.800 2.273 2.207 2.332     .  0 0 "[    .    1    .    2    . ]" 1 
       622 1 69 LEU H   1 69 LEU QD  3.500 . 5.900 3.667 3.465 3.776     .  0 0 "[    .    1    .    2    . ]" 1 
       623 1 69 LEU H   1 70 GLN H   5.000 . 5.000 2.717 2.220 3.140     .  0 0 "[    .    1    .    2    . ]" 1 
       624 1 69 LEU HA  1 73 ASP H   5.000 . 5.000 5.029 4.937 5.067 0.067 21 0 "[    .    1    .    2    . ]" 1 
       625 1 69 LEU QD  1 73 ASP H   5.000 . 7.400 4.601 3.269 5.427     .  0 0 "[    .    1    .    2    . ]" 1 
       626 1 69 LEU QD  1 76 ARG H   5.000 . 7.400 4.336 3.663 4.910     .  0 0 "[    .    1    .    2    . ]" 1 
       627 1 70 GLN H   1 70 GLN HA  2.800 . 2.800 2.786 2.765 2.829 0.029  7 0 "[    .    1    .    2    . ]" 1 
       628 1 70 GLN H   1 70 GLN QB  2.800 . 3.800 2.284 2.225 2.420     .  0 0 "[    .    1    .    2    . ]" 1 
       629 1 70 GLN H   1 71 ARG H   2.800 . 2.800 2.787 2.663 2.822 0.022 14 0 "[    .    1    .    2    . ]" 1 
       630 1 70 GLN QB  1 71 ARG H   3.500 . 4.500 3.073 2.615 3.588     .  0 0 "[    .    1    .    2    . ]" 1 
       631 1 70 GLN HA  1 73 ASP H   5.000 . 5.000 3.834 3.625 4.158     .  0 0 "[    .    1    .    2    . ]" 1 
       632 1 70 GLN H   1 77 TYR QE  5.000 . 7.000 5.135 4.254 5.499     .  0 0 "[    .    1    .    2    . ]" 1 
       633 1 71 ARG H   1 71 ARG HA  2.800 . 2.800 2.886 2.852 2.921 0.121 12 0 "[    .    1    .    2    . ]" 1 
       634 1 71 ARG H   1 71 ARG QB  2.800 . 3.800 2.230 2.067 2.536     .  0 0 "[    .    1    .    2    . ]" 1 
       635 1 71 ARG H   1 71 ARG QG  2.800 . 3.800 2.817 2.010 3.303     .  0 0 "[    .    1    .    2    . ]" 1 
       636 1 71 ARG H   1 71 ARG QD  3.500 . 4.500 4.010 3.419 4.110     .  0 0 "[    .    1    .    2    . ]" 1 
       637 1 71 ARG H   1 72 GLU H   2.800 . 2.800 2.589 2.432 2.743     .  0 0 "[    .    1    .    2    . ]" 1 
       638 1 71 ARG QD  1 72 GLU H   5.000 . 6.000 4.423 2.700 5.078     .  0 0 "[    .    1    .    2    . ]" 1 
       639 1 71 ARG H   1 73 ASP H   5.000 . 5.000 3.922 3.844 4.003     .  0 0 "[    .    1    .    2    . ]" 1 
       640 1 72 GLU H   1 72 GLU HA  2.800 . 2.800 2.923 2.912 2.936 0.136  7 0 "[    .    1    .    2    . ]" 1 
       641 1 72 GLU H   1 72 GLU QB  2.800 . 3.800 2.324 2.290 2.391     .  0 0 "[    .    1    .    2    . ]" 1 
       642 1 72 GLU H   1 72 GLU QG  2.800 . 3.800 2.648 2.517 2.769     .  0 0 "[    .    1    .    2    . ]" 1 
       643 1 72 GLU H   1 73 ASP H   2.800 . 2.800 2.656 2.532 2.706     .  0 0 "[    .    1    .    2    . ]" 1 
       644 1 72 GLU HA  1 73 ASP H   2.800 . 2.800 3.027 2.997 3.086 0.286 21 0 "[    .    1    .    2    . ]" 1 
       645 1 72 GLU QB  1 73 ASP H   2.800 . 3.800 3.564 3.508 3.592     .  0 0 "[    .    1    .    2    . ]" 1 
       646 1 73 ASP H   1 73 ASP HA  2.800 . 2.800 2.780 2.737 2.828 0.028 23 0 "[    .    1    .    2    . ]" 1 
       647 1 73 ASP H   1 73 ASP QB  3.500 . 4.500 3.114 2.971 3.512     .  0 0 "[    .    1    .    2    . ]" 1 
       648 1 73 ASP H   1 74 PRO QD  3.500 . 4.500 3.325 3.225 3.529     .  0 0 "[    .    1    .    2    . ]" 1 
       649 1 73 ASP HA  1 75 GLU H   3.500 . 3.500 3.539 3.526 3.563 0.063 25 0 "[    .    1    .    2    . ]" 1 
       650 1 73 ASP HA  1 76 ARG H   5.000 . 5.000 4.105 3.945 4.300     .  0 0 "[    .    1    .    2    . ]" 1 
       651 1 73 ASP QB  1 76 ARG H   5.000 . 6.000 2.168 1.873 2.633     .  0 0 "[    .    1    .    2    . ]" 1 
       652 1 74 PRO QB  1 75 GLU H   5.000 . 6.000 3.271 3.212 3.334     .  0 0 "[    .    1    .    2    . ]" 1 
       653 1 74 PRO QD  1 75 GLU H   3.500 . 4.500 2.298 2.266 2.338     .  0 0 "[    .    1    .    2    . ]" 1 
       654 1 74 PRO HA  1 77 TYR H   3.500 . 3.500 3.434 3.084 3.539 0.039 25 0 "[    .    1    .    2    . ]" 1 
       655 1 75 GLU H   1 75 GLU HA  2.800 . 2.800 2.906 2.884 2.923 0.123 25 0 "[    .    1    .    2    . ]" 1 
       656 1 75 GLU H   1 75 GLU QB  2.800 . 3.800 2.472 2.237 2.813     .  0 0 "[    .    1    .    2    . ]" 1 
       657 1 75 GLU H   1 75 GLU QG  3.500 . 4.500 2.825 1.860 4.071     .  0 0 "[    .    1    .    2    . ]" 1 
       658 1 75 GLU H   1 76 ARG H   2.800 . 2.800 2.445 2.326 2.681     .  0 0 "[    .    1    .    2    . ]" 1 
       659 1 75 GLU HA  1 76 ARG H   5.000 . 5.000 3.517 3.391 3.580     .  0 0 "[    .    1    .    2    . ]" 1 
       660 1 76 ARG H   1 76 ARG HA  2.800 . 2.800 2.865 2.804 2.933 0.133  5 0 "[    .    1    .    2    . ]" 1 
       661 1 76 ARG H   1 76 ARG QB  2.800 . 3.800 2.343 2.089 2.530     .  0 0 "[    .    1    .    2    . ]" 1 
       662 1 76 ARG H   1 76 ARG QG  2.800 . 3.800 2.490 1.947 3.306     .  0 0 "[    .    1    .    2    . ]" 1 
       663 1 76 ARG H   1 76 ARG QD  3.500 . 4.500 3.727 2.026 4.091     .  0 0 "[    .    1    .    2    . ]" 1 
       664 1 76 ARG HA  1 76 ARG HE  5.000 . 5.000 4.433 2.599 4.936     .  0 0 "[    .    1    .    2    . ]" 1 
       665 1 76 ARG H   1 77 TYR H   2.800 . 2.800 2.537 2.208 2.762     .  0 0 "[    .    1    .    2    . ]" 1 
       666 1 77 TYR H   1 77 TYR HA  2.800 . 2.800 2.916 2.846 2.926 0.126 20 0 "[    .    1    .    2    . ]" 1 
       667 1 77 TYR H   1 77 TYR QB  2.800 . 3.800 2.314 2.195 2.346     .  0 0 "[    .    1    .    2    . ]" 1 
       668 1 77 TYR H   1 77 TYR QD  3.500 . 5.500 4.197 3.984 4.225     .  0 0 "[    .    1    .    2    . ]" 1 
       669 1 77 TYR HA  1 77 TYR QE  5.000 . 7.000 4.231 4.053 4.345     .  0 0 "[    .    1    .    2    . ]" 1 
       670 1 77 TYR HA  1 78 ARG H   2.800 . 2.800 2.880 2.787 3.016 0.216 17 0 "[    .    1    .    2    . ]" 1 
       671 1 77 TYR QB  1 78 ARG H   3.500 . 4.500 3.811 2.535 3.953     .  0 0 "[    .    1    .    2    . ]" 1 
       672 1 77 TYR QD  1 78 ARG H   2.800 . 4.800 4.389 2.757 4.603     .  0 0 "[    .    1    .    2    . ]" 1 
       673 1 77 TYR QE  1 81 ILE MG  5.000 . 7.300 3.285 2.706 3.879     .  0 0 "[    .    1    .    2    . ]" 1 
       674 1 78 ARG H   1 78 ARG HA  2.800 . 2.800 2.908 2.353 2.952 0.152 19 0 "[    .    1    .    2    . ]" 1 
       675 1 78 ARG H   1 78 ARG QB  2.800 . 3.800 3.050 2.719 3.335     .  0 0 "[    .    1    .    2    . ]" 1 
       676 1 78 ARG H   1 78 ARG QG  2.800 . 3.800 2.477 2.040 3.175     .  0 0 "[    .    1    .    2    . ]" 1 
       677 1 78 ARG H   1 78 ARG QD  2.800 . 3.800 3.456 3.150 3.516     .  0 0 "[    .    1    .    2    . ]" 1 
       678 1 78 ARG H   1 79 ALA H   2.800 . 2.800 2.084 1.873 2.820 0.020 12 0 "[    .    1    .    2    . ]" 1 
       679 1 78 ARG HA  1 79 ALA H   3.500 . 3.500 3.050 2.958 3.185     .  0 0 "[    .    1    .    2    . ]" 1 
       680 1 79 ALA H   1 79 ALA HA  2.800 . 2.800 2.947 2.942 2.952 0.152 19 0 "[    .    1    .    2    . ]" 1 
       681 1 79 ALA H   1 79 ALA MB  2.800 . 3.100 2.518 2.449 2.608     .  0 0 "[    .    1    .    2    . ]" 1 
       682 1 79 ALA HA  1 81 ILE H   3.500 . 3.500 3.685 3.629 3.734 0.234 12 0 "[    .    1    .    2    . ]" 1 
       683 1 80 LEU H   1 80 LEU QB  2.800 . 3.800 2.376 2.084 2.790     .  0 0 "[    .    1    .    2    . ]" 1 
       684 1 80 LEU H   1 80 LEU QD  3.500 . 5.900 2.542 1.841 3.396     .  0 0 "[    .    1    .    2    . ]" 1 
       685 1 80 LEU HA  1 81 ILE H   3.500 . 3.500 3.325 3.238 3.373     .  0 0 "[    .    1    .    2    . ]" 1 
       686 1 80 LEU QB  1 81 ILE H   3.500 . 4.500 3.413 3.234 3.907     .  0 0 "[    .    1    .    2    . ]" 1 
       687 1 80 LEU QD  1 81 ILE H   5.000 . 7.400 4.049 3.437 4.463     .  0 0 "[    .    1    .    2    . ]" 1 
       688 1 80 LEU HA  1 83 LYS H   2.800 . 2.800 2.920 2.892 2.960 0.160 19 0 "[    .    1    .    2    . ]" 1 
       689 1 81 ILE H   1 81 ILE HA  2.800 . 2.800 2.903 2.875 2.921 0.121 22 0 "[    .    1    .    2    . ]" 1 
       690 1 81 ILE H   1 81 ILE HB  3.400 . 3.400 3.519 3.495 3.539 0.139 25 0 "[    .    1    .    2    . ]" 1 
       691 1 81 ILE H   1 81 ILE MG  3.500 . 3.800 1.796 1.760 1.828     .  0 0 "[    .    1    .    2    . ]" 1 
       692 1 81 ILE H   1 81 ILE QG  2.800 . 3.800 3.014 2.914 3.176     .  0 0 "[    .    1    .    2    . ]" 1 
       693 1 81 ILE H   1 82 GLU H   2.800 . 2.800 2.351 2.264 2.486     .  0 0 "[    .    1    .    2    . ]" 1 
       694 1 81 ILE HA  1 82 GLU H   3.500 . 3.500 3.488 3.440 3.508 0.008  6 0 "[    .    1    .    2    . ]" 1 
       695 1 81 ILE MG  1 82 GLU H   3.500 . 3.800 3.113 3.017 3.161     .  0 0 "[    .    1    .    2    . ]" 1 
       696 1 81 ILE QG  1 82 GLU H   2.800 . 3.800 2.177 2.029 2.460     .  0 0 "[    .    1    .    2    . ]" 1 
       697 1 81 ILE HA  1 86 ILE H   3.500 . 3.500 3.519 2.839 3.664 0.164  9 0 "[    .    1    .    2    . ]" 1 
       698 1 82 GLU H   1 82 GLU HA  2.800 . 2.800 2.932 2.914 2.940 0.140 20 0 "[    .    1    .    2    . ]" 1 
       699 1 82 GLU H   1 82 GLU QB  2.800 . 3.800 2.295 2.140 2.650     .  0 0 "[    .    1    .    2    . ]" 1 
       700 1 82 GLU HA  1 85 GLY H   5.000 . 5.000 4.982 4.160 5.077 0.077 13 0 "[    .    1    .    2    . ]" 1 
       701 1 83 LYS H   1 83 LYS HA  2.800 . 2.800 2.962 2.907 2.974 0.174 16 0 "[    .    1    .    2    . ]" 1 
       702 1 83 LYS H   1 83 LYS QB  2.800 . 3.800 2.572 2.243 2.814     .  0 0 "[    .    1    .    2    . ]" 1 
       703 1 83 LYS H   1 83 LYS QG  2.800 . 3.800 2.818 2.227 3.446     .  0 0 "[    .    1    .    2    . ]" 1 
       704 1 83 LYS H   1 84 LEU H   2.800 . 2.800 2.589 2.127 2.852 0.052  9 0 "[    .    1    .    2    . ]" 1 
       705 1 83 LYS HA  1 84 LEU H   3.500 . 3.500 3.052 2.698 3.552 0.052  6 0 "[    .    1    .    2    . ]" 1 
       706 1 84 LEU H   1 84 LEU HA  2.800 . 2.800 2.940 2.907 2.967 0.167  3 0 "[    .    1    .    2    . ]" 1 
       707 1 84 LEU H   1 84 LEU HG  2.800 . 2.800 2.862 2.495 2.932 0.132  1 0 "[    .    1    .    2    . ]" 1 
       708 1 84 LEU H   1 84 LEU QB  2.800 . 3.800 2.788 2.353 3.089     .  0 0 "[    .    1    .    2    . ]" 1 
       709 1 84 LEU H   1 84 LEU QD  3.500 . 5.900 3.442 2.834 3.519     .  0 0 "[    .    1    .    2    . ]" 1 
       710 1 84 LEU H   1 85 GLY H   5.000 . 5.000 2.442 1.818 2.766     .  0 0 "[    .    1    .    2    . ]" 1 
       711 1 84 LEU HA  1 85 GLY H   3.500 . 3.500 3.533 3.213 3.570 0.070  1 0 "[    .    1    .    2    . ]" 1 
       712 1 84 LEU QB  1 85 GLY H   3.500 . 4.500 2.251 1.812 3.927     .  0 0 "[    .    1    .    2    . ]" 1 
       713 1 84 LEU QD  1 85 GLY H   5.000 . 7.400 3.625 2.796 4.332     .  0 0 "[    .    1    .    2    . ]" 1 
       714 1 84 LEU H   1 86 ILE H   5.000 . 5.000 4.089 3.518 5.016 0.016  6 0 "[    .    1    .    2    . ]" 1 
       715 1 84 LEU QD  1 86 ILE H   5.000 . 7.400 4.637 2.553 5.358     .  0 0 "[    .    1    .    2    . ]" 1 
       716 1 85 GLY H   1 86 ILE H   2.800 . 2.800 2.212 2.004 2.819 0.019 22 0 "[    .    1    .    2    . ]" 1 
       717 1 85 GLY QA  1 86 ILE H   2.800 . 3.800 2.570 2.357 2.687     .  0 0 "[    .    1    .    2    . ]" 1 
       718 1 86 ILE H   1 86 ILE HA  2.800 . 2.800 2.900 2.892 2.907 0.107  4 0 "[    .    1    .    2    . ]" 1 
       719 1 86 ILE H   1 86 ILE HB  2.800 . 2.800 2.728 2.118 2.894 0.094 13 0 "[    .    1    .    2    . ]" 1 
       720 1 86 ILE H   1 86 ILE MG  2.800 . 3.100 1.819 1.673 2.563     .  0 0 "[    .    1    .    2    . ]" 1 
       721 1 86 ILE H   1 86 ILE MD  5.000 . 5.300 4.058 3.971 4.217     .  0 0 "[    .    1    .    2    . ]" 1 
       722 1 86 ILE H   1 86 ILE QG  2.800 . 3.800 3.794 3.721 3.899 0.099  2 0 "[    .    1    .    2    . ]" 1 
       723 1 86 ILE H   1 87 ARG H   3.500 . 3.500 3.122 2.371 3.648 0.148  2 0 "[    .    1    .    2    . ]" 1 
       724 1 86 ILE HA  1 87 ARG H   3.500 . 3.500 3.517 3.362 3.556 0.056 22 0 "[    .    1    .    2    . ]" 1 
       725 1 86 ILE QG  1 87 ARG H   5.000 . 6.000 2.061 1.720 4.443     .  0 0 "[    .    1    .    2    . ]" 1 
       726 1 86 ILE QG  1 88 GLY H   5.000 . 6.000 4.770 4.576 5.355     .  0 0 "[    .    1    .    2    . ]" 1 
       727 1 87 ARG H   1 87 ARG HA  2.800 . 2.800 2.904 2.802 2.929 0.129  5 0 "[    .    1    .    2    . ]" 1 
       728 1 87 ARG H   1 87 ARG HB3 3.500 . 3.500 3.618 3.572 3.719 0.219  8 0 "[    .    1    .    2    . ]" 1 
       729 1 87 ARG H   1 87 ARG HB2 3.500 . 3.500 2.454 2.368 2.660     .  0 0 "[    .    1    .    2    . ]" 1 
       730 1 87 ARG H   1 87 ARG QD  5.000 . 6.000 4.276 2.112 4.711     .  0 0 "[    .    1    .    2    . ]" 1 
       731 1 87 ARG H   1 88 GLY H   3.500 . 3.500 3.580 2.579 3.725 0.225 15 0 "[    .    1    .    2    . ]" 1 
       732 1 87 ARG HA  1 88 GLY H   2.800 . 2.800 3.193 3.153 3.329 0.529 22 3 "[    .-   1    .    2 +  * ]" 1 
       733 1 87 ARG HB2 1 88 GLY H   2.800 . 2.800 2.234 2.098 2.935 0.135 25 0 "[    .    1    .    2    . ]" 1 
       734 1 62 ARG HA  1 65 LEU H   3.400 . 3.400 3.023 2.745 3.423 0.023 19 0 "[    .    1    .    2    . ]" 1 
       735 1 62 ARG HA  1 65 LEU QB  3.400 . 4.400 2.459 1.844 3.757     .  0 0 "[    .    1    .    2    . ]" 1 
       736 1 65 LEU HA  1 65 LEU QD  3.400 . 5.800 2.652 1.782 3.433     .  0 0 "[    .    1    .    2    . ]" 1 
       737 1 65 LEU HA  1 66 LEU H   3.400 . 3.400 3.320 2.758 3.531 0.131  8 0 "[    .    1    .    2    . ]" 1 
       738 1 65 LEU HA  1 68 TYR QB  3.400 . 4.400 3.463 2.727 3.872     .  0 0 "[    .    1    .    2    . ]" 1 
       739 1 65 LEU QD  1 68 TYR QB  5.000 . 8.400 3.171 1.842 4.865     .  0 0 "[    .    1    .    2    . ]" 1 
       740 1 65 LEU H   1 65 LEU HA  2.800 . 2.800 2.839 2.360 2.970 0.170  2 0 "[    .    1    .    2    . ]" 1 
       741 1 65 LEU H   1 65 LEU QB  2.800 . 3.800 2.348 2.076 3.002     .  0 0 "[    .    1    .    2    . ]" 1 
       742 1 65 LEU QB  1 66 LEU H   5.000 . 6.000 3.246 1.933 3.910     .  0 0 "[    .    1    .    2    . ]" 1 
       743 1 65 LEU QB  1 69 LEU H   5.000 . 6.000 4.976 4.184 5.414     .  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              76
    _Distance_constraint_stats_list.Viol_count                    1581
    _Distance_constraint_stats_list.Viol_total                    47783.930
    _Distance_constraint_stats_list.Viol_max                      4.873
    _Distance_constraint_stats_list.Viol_rms                      0.9575
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.9301
    _Distance_constraint_stats_list.Viol_average_violations_only  1.1625
    _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  4 LYS  47.776 1.516  2 24  [*+*******1****.*********-*]  
       1  5 GLU  74.693 2.652  7 26  [******+************-******]  
       1  6 GLU 104.467 2.926 20 26  [*-*****************+******]  
       1  7 LYS  56.072 3.172 21 10 "[** *. -  1*   . * *2+  *.*]" 
       1  8 GLN 133.248 4.495 21 26  [********************+***-*]  
       1  9 LYS 110.435 2.652  7 26  [******+***********-*******]  
       1 10 VAL 105.524 2.926 20 26  [*-*****************+******]  
       1 11 ILE  56.072 3.172 21 10 "[** *. -  1*   . * *2+  *.*]" 
       1 12 GLN  85.471 4.495 21 12 "[** *. *  -*   * * *2+  *.*]" 
       1 13 GLU  35.742 1.663  1 16 "[+* *.**  *** *. * -*** *.*]" 
       1 14 PHE   1.057 0.294 12  0 "[    .    1    .    2    . ]" 
       1 24 THR   0.000 0.000  .  0 "[    .    1    .    2    . ]" 
       1 25 GLU   6.565 0.315 24  0 "[    .    1    .    2    . ]" 
       1 26 VAL   5.481 0.308  8  0 "[    .    1    .    2    . ]" 
       1 27 GLN   0.000 0.000  .  0 "[    .    1    .    2    . ]" 
       1 28 VAL  24.724 0.661 16 25 "[***************+* ****-***]" 
       1 29 ALA  29.265 0.598 18  3 "[    . *  1    -  + 2    . ]" 
       1 30 LEU  15.561 0.490 19  0 "[    .    1    .    2    . ]" 
       1 31 LEU  23.411 0.770  7 23 "[-* ** +********** ********]" 
       1 32 THR  25.007 0.661 16 25 "[***************+* ****-***]" 
       1 33 LEU  23.154 0.598 18  3 "[    . *  1    -  + 2    . ]" 
       1 34 ARG  35.224 1.175  8 25 "[*** *-*+******************]" 
       1 35 ILE  49.468 0.833 13 25 "[***** *-****+*************]" 
       1 36 ASN  54.640 2.246 13 26  [**********-*+*************]  
       1 37 ARG  69.084 2.473 24 26  [****************-******+**]  
       1 38 LEU 111.324 2.718  5 26  [****+-********************]  
       1 39 SER 101.957 4.141  5 26  [****+**-******************]  
       1 40 GLU  54.356 2.246 13 26  [**********-*+*************]  
       1 41 HIS  68.631 2.473 24 26  [****************-******+**]  
       1 42 LEU  86.180 2.718  5 26  [****+***********-*********]  
       1 43 LYS  75.900 4.141  5 26  [****+*****-***************]  
       1 55 LEU  75.768 2.796  8 22 "[*** .* +******** ***-*****]" 
       1 56 LEU  17.708 2.557 16  4 "[    .  * 1    .+   2 -  * ]" 
       1 57 MET  32.432 2.361  7 17 "[   ***+* ** * .********-. ]" 
       1 58 MET  76.009 2.418 10 26  [*********+**********-*****]  
       1 59 VAL 133.021 2.796  8 26  [*******+******-***********]  
       1 60 GLY 121.196 4.469 21 26  [********************+-****]  
       1 61 GLN  32.432 2.361  7 17 "[   ***+* ** * .********-. ]" 
       1 62 ARG  76.009 2.418 10 26  [*********+**********-*****]  
       1 63 ARG  57.253 2.753 16 20 "[ * ********* *-+***** * * ]" 
       1 64 ARG 103.488 4.469 21 26  [********************+-****]  
       1 65 LEU  41.783 3.213  2 16 "[ +***** *1****-*   2* * * ]" 
       1 66 LEU  67.279 4.873  2 19 "[*+******-*    *   ********]" 
       1 69 LEU  41.783 3.213  2 16 "[ +***** *1****-*   2* * * ]" 
       1 70 GLN  67.279 4.873  2 19 "[*+******-*    *   ********]" 
       1 75 GLU  96.109 2.762 23 26  [*********************-+***]  
       1 76 ARG  68.403 1.808  2 26  [*+*********************-**]  
       1 77 TYR 145.749 3.440 22 26  [*****************-***+****]  
       1 78 ARG 125.583 2.814 12 26  [***********+************-*]  
       1 79 ALA 118.218 2.762 23 26  [************-*********+***]  
       1 80 LEU  94.621 1.808  2 26  [*+*******************-****]  
       1 81 ILE 192.456 3.440 22 26  [*********-***********+****]  
       1 82 GLU 125.583 2.814 12 26  [***********+************-*]  
       1 83 LYS  22.109 1.161  3 15 "[* +** ***1**-*. ** 2  * .*]" 
       1 84 LEU  26.218 1.274  4 23 "[** +* ***************-**.*]" 
       1 85 GLY  46.707 1.567 13 24 "[***** ***-**+***********.*]" 
    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  4 LYS O 1  8 GLN H 2.200 . 2.200 3.213 2.655 3.716 1.516  2 24  [*+*******1****.*********-*]  2 
        2 1  4 LYS O 1  8 GLN N 3.200 . 3.200 4.024 3.578 4.517 1.317 22 24  [*********1****.******+**-*]  2 
        3 1  5 GLU O 1  9 LYS H 2.200 . 2.200 3.697 2.874 4.852 2.652  7 26  [******+************-******]  2 
        4 1  5 GLU O 1  9 LYS N 3.200 . 3.200 4.576 3.745 5.663 2.463  7 26  [******+************-******]  2 
        5 1  6 GLU O 1 10 VAL H 2.200 . 2.200 4.341 3.912 5.126 2.926 20 26  [****************-**+******]  2 
        6 1  6 GLU O 1 10 VAL N 3.200 . 3.200 5.077 4.629 5.801 2.601 20 26  [*-*****************+******]  2 
        7 1  7 LYS O 1 11 ILE H 2.200 . 2.200 3.340 2.091 5.372 3.172 21 10 "[** *. -  1*   . * *2+  *.*]" 2 
        8 1  7 LYS O 1 11 ILE N 3.200 . 3.200 4.171 3.037 6.057 2.857 21 10 "[** *. -  1*   . * *2+  *.*]" 2 
        9 1  8 GLN O 1 12 GLN H 2.200 . 2.200 3.932 2.095 6.695 4.495 21 12 "[** *. *  **   - * *2+  *.*]" 2 
       10 1  8 GLN O 1 12 GLN N 3.200 . 3.200 4.623 2.907 7.135 3.935  2 12 "[*+ *. *  -*   * * *2*  *.*]" 2 
       11 1  9 LYS O 1 13 GLU H 2.200 . 2.200 2.995 2.418 3.863 1.663  1 16 "[+* *.**  **- *. * **** *.*]" 2 
       12 1  9 LYS O 1 13 GLU N 3.200 . 3.200 3.780 3.222 4.595 1.395  1 15 "[+* *.**  **  *. * -*** *.*]" 2 
       13 1 10 VAL O 1 14 PHE H 2.200 . 2.200 2.161 2.094 2.494 0.294 12  0 "[    .    1    .    2    . ]" 2 
       14 1 10 VAL O 1 14 PHE N 3.200 . 3.200 3.029 2.918 3.331 0.131 12  0 "[    .    1    .    2    . ]" 2 
       15 1 24 THR O 1 28 VAL H 2.200 . 2.200 2.087 2.073 2.101     .  0  0 "[    .    1    .    2    . ]" 2 
       16 1 24 THR O 1 28 VAL N 3.200 . 3.200 3.019 2.833 3.057     .  0  0 "[    .    1    .    2    . ]" 2 
       17 1 25 GLU O 1 29 ALA H 2.200 . 2.200 2.393 2.269 2.515 0.315 24  0 "[    .    1    .    2    . ]" 2 
       18 1 25 GLU O 1 29 ALA N 3.200 . 3.200 3.254 3.127 3.351 0.151 23  0 "[    .    1    .    2    . ]" 2 
       19 1 26 VAL O 1 30 LEU H 2.200 . 2.200 2.346 2.181 2.508 0.308  8  0 "[    .    1    .    2    . ]" 2 
       20 1 26 VAL O 1 30 LEU N 3.200 . 3.200 3.246 3.077 3.402 0.202  8  0 "[    .    1    .    2    . ]" 2 
       21 1 27 GLN O 1 31 LEU H 2.200 . 2.200 2.081 2.064 2.097     .  0  0 "[    .    1    .    2    . ]" 2 
       22 1 27 GLN O 1 31 LEU N 3.200 . 3.200 2.760 2.607 2.835     .  0  0 "[    .    1    .    2    . ]" 2 
       23 1 28 VAL O 1 32 THR H 2.200 . 2.200 2.800 2.656 2.861 0.661 16 25 "[***************+* ****-***]" 2 
       24 1 28 VAL O 1 32 THR N 3.200 . 3.200 3.550 3.435 3.608 0.408 17  0 "[    .    1    .    2    . ]" 2 
       25 1 29 ALA O 1 33 LEU H 2.200 . 2.200 2.668 2.573 2.798 0.598 18  3 "[    . *  1    -  + 2    . ]" 2 
       26 1 29 ALA O 1 33 LEU N 3.200 . 3.200 3.605 3.530 3.745 0.545 18  2 "[    . -  1    .  + 2    . ]" 2 
       27 1 30 LEU O 1 34 ARG H 2.200 . 2.200 2.407 2.118 2.690 0.490 19  0 "[    .    1    .    2    . ]" 2 
       28 1 30 LEU O 1 34 ARG N 3.200 . 3.200 3.364 3.093 3.650 0.450 19  0 "[    .    1    .    2    . ]" 2 
       29 1 31 LEU O 1 35 ILE H 2.200 . 2.200 2.834 2.692 2.970 0.770  7 23 "[-* ** +********** ********]" 2 
       30 1 31 LEU O 1 35 ILE N 3.200 . 3.200 3.466 3.343 3.606 0.406  4  0 "[    .    1    .    2    . ]" 2 
       31 1 32 THR O 1 36 ASN H 2.200 . 2.200 2.114 2.056 2.378 0.178 20  0 "[    .    1    .    2    . ]" 2 
       32 1 32 THR O 1 36 ASN N 3.200 . 3.200 3.052 2.994 3.305 0.105 20  0 "[    .    1    .    2    . ]" 2 
       33 1 33 LEU O 1 37 ARG H 2.200 . 2.200 2.139 2.082 2.378 0.178 19  0 "[    .    1    .    2    . ]" 2 
       34 1 33 LEU O 1 37 ARG N 3.200 . 3.200 3.104 3.050 3.338 0.138 19  0 "[    .    1    .    2    . ]" 2 
       35 1 34 ARG O 1 38 LEU H 2.200 . 2.200 3.080 2.646 3.375 1.175  8 25 "[*** *-*+******************]" 2 
       36 1 34 ARG O 1 38 LEU N 3.200 . 3.200 3.254 2.840 3.549 0.349  8  0 "[    .    1    .    2    . ]" 2 
       37 1 35 ILE O 1 39 SER H 2.200 . 2.200 2.795 2.561 3.033 0.833 13 22 "[*** * **** *+*******-** **]" 2 
       38 1 35 ILE O 1 39 SER N 3.200 . 3.200 3.608 3.417 3.791 0.591 15  3 "[    .  - 1  * +    2    . ]" 2 
       39 1 36 ASN O 1 40 GLU H 2.200 . 2.200 3.351 2.937 4.446 2.246 13 26  [************+*-***********]  2 
       40 1 36 ASN O 1 40 GLU N 3.200 . 3.200 4.139 3.774 4.689 1.489 13 26  [**********-*+*************]  2 
       41 1 37 ARG O 1 41 HIS H 2.200 . 2.200 3.985 3.022 4.673 2.473 24 26  [****-******************+**]  2 
       42 1 37 ARG O 1 41 HIS N 3.200 . 3.200 4.052 3.144 4.762 1.562 24 22 "[****.* *********-*** * +**]" 2 
       43 1 38 LEU O 1 42 LEU H 2.200 . 2.200 3.969 3.130 4.918 2.718  5 26  [****+***********-*********]  2 
       44 1 38 LEU O 1 42 LEU N 3.200 . 3.200 4.746 4.004 5.717 2.517  5 26  [****+***********-*********]  2 
       45 1 39 SER O 1 43 LYS H 2.200 . 2.200 3.818 3.180 6.341 4.141  5 26  [****+*****-***************]  2 
       46 1 39 SER O 1 43 LYS N 3.200 . 3.200 4.501 3.837 7.075 3.875  5 26  [****+*****-***************]  2 
       47 1 55 LEU O 1 59 VAL H 2.200 . 2.200 3.696 2.462 4.996 2.796  8 22 "[*** .* +******** ***-*****]" 2 
       48 1 55 LEU O 1 59 VAL N 3.200 . 3.200 4.618 3.365 5.754 2.554  8 22 "[*** .* +******** ***-*****]" 2 
       49 1 56 LEU O 1 60 GLY H 2.200 . 2.200 2.535 2.093 4.757 2.557 16  4 "[    .  * 1    .+   2 -  * ]" 2 
       50 1 56 LEU O 1 60 GLY N 3.200 . 3.200 3.378 2.768 5.503 2.303 16  4 "[    .  * 1    .+   2 -  * ]" 2 
       51 1 57 MET O 1 61 GLN H 2.200 . 2.200 3.119 2.097 4.561 2.361  7 17 "[   ***+* ** - .*********. ]" 2 
       52 1 57 MET O 1 61 GLN N 3.200 . 3.200 3.392 2.557 4.346 1.146  7  8 "[   ** +  *    .* * 2*  -. ]" 2 
       53 1 58 MET O 1 62 ARG H 2.200 . 2.200 4.075 2.981 4.618 2.418 10 26  [*********+**************-*]  2 
       54 1 58 MET O 1 62 ARG N 3.200 . 3.200 4.242 3.047 4.827 1.627  6 24 "[* ***+**************-***.*]" 2 
       55 1 59 VAL O 1 63 ARG H 2.200 . 2.200 3.394 2.276 4.953 2.753 16 20 "[ * ********* *-+***** * * ]" 2 
       56 1 59 VAL O 1 63 ARG N 3.200 . 3.200 4.208 3.195 5.667 2.467 16 17 "[   **-****** *.+***** * . ]" 2 
       57 1 60 GLY O 1 64 ARG H 2.200 . 2.200 4.310 3.040 6.669 4.469 21 26  [******************-*+*****]  2 
       58 1 60 GLY O 1 64 ARG N 3.200 . 3.200 5.071 3.709 7.400 4.200 21 26  [********************+-****]  2 
       59 1 65 LEU O 1 69 LEU H 2.200 . 2.200 3.124 2.167 5.413 3.213  2 16 "[ +***** *1****-*   2* * * ]" 2 
       60 1 65 LEU O 1 69 LEU N 3.200 . 3.200 3.860 2.927 5.849 2.649  2 11 "[ +- . * *1****.    2* * * ]" 2 
       61 1 66 LEU O 1 70 GLN H 2.200 . 2.200 3.736 2.094 7.073 4.873  2 19 "[*+********    *   *-******]" 2 
       62 1 66 LEU O 1 70 GLN N 3.200 . 3.200 4.101 2.602 8.027 4.827  2 12 "[ +* .***-*    .    2***** ]" 2 
       63 1 75 GLU O 1 79 ALA H 2.200 . 2.200 4.481 3.897 4.962 2.762 23 26  [**********************+-**]  2 
       64 1 75 GLU O 1 79 ALA N 3.200 . 3.200 4.616 4.147 5.117 1.917 19 26  [******************+**-****]  2 
       65 1 76 ARG O 1 80 LEU H 2.200 . 2.200 3.570 2.873 4.008 1.808  2 26  [*+*********************-**]  2 
       66 1 76 ARG O 1 80 LEU N 3.200 . 3.200 4.461 3.768 4.922 1.722  2 26  [*+*********************-**]  2 
       67 1 77 TYR O 1 81 ILE H 2.200 . 2.200 5.183 4.954 5.640 3.440 22 26  [****************-****+****]  2 
       68 1 77 TYR O 1 81 ILE N 3.200 . 3.200 5.823 5.575 6.242 3.042 22 26  [*****************-***+****]  2 
       69 1 78 ARG O 1 82 GLU H 2.200 . 2.200 4.686 4.259 5.014 2.814 12 26  [***********+************-*]  2 
       70 1 78 ARG O 1 82 GLU N 3.200 . 3.200 5.544 5.115 5.889 2.689 12 26  [***********+************-*]  2 
       71 1 79 ALA O 1 83 LYS H 2.200 . 2.200 2.782 2.136 3.361 1.161  3 15 "[* +-* ***1****. ** 2  * .*]" 2 
       72 1 79 ALA O 1 83 LYS N 3.200 . 3.200 3.443 2.995 4.029 0.829  3  4 "[  + .   *1 *- .    2    . ]" 2 
       73 1 80 LEU O 1 84 LEU H 2.200 . 2.200 3.076 2.093 3.474 1.274  4 23 "[** +* ***************-**.*]" 2 
       74 1 80 LEU O 1 84 LEU N 3.200 . 3.200 3.248 2.592 3.528 0.328  4  0 "[    .    1    .    2    . ]" 2 
       75 1 81 ILE O 1 85 GLY H 2.200 . 2.200 3.227 2.257 3.767 1.567 13 24 "[***** ******+********-**.*]" 2 
       76 1 81 ILE O 1 85 GLY N 3.200 . 3.200 3.945 2.886 4.418 1.218 13 22 "[***** ***-**+*******  **.*]" 2 
    stop_

save_



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

Contact the webmaster for help, if required. Friday, March 29, 2024 1:11:16 PM GMT (wattos1)