NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage program type subtype subsubtype
472088 2kzn 17008 cing 4-filtered-FRED Wattos check violation distance


data_2kzn


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              591
    _Distance_constraint_stats_list.Viol_count                    2166
    _Distance_constraint_stats_list.Viol_total                    4023.391
    _Distance_constraint_stats_list.Viol_max                      1.852
    _Distance_constraint_stats_list.Viol_rms                      0.0556
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0170
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0929
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       
;
Description of the tags in this list:
*  1 * Administrative tag
*  2 * Administrative tag
*  3 * Administrative tag
*  4 * ID of the restraint list.                                                              
*  5 * Number of restraints in list.                                                          
*  6 * Number of violated restraints (each model violation is used).                          
*  7 * Sum of violations in Angstrom.                                                         
*  8 * Maximum violation of a restraint without averaging in any way.                         
*  9 * Rms of violations over all restraints.                                                 
*  10 * Average violation over all restraints.                                                 
*  11 * Average violation over violated restraints.                                            
           This violation is averaged over only those models in which the restraint is violated.   
           These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).     
*  12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
*  13 * This tag                                                                               

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

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


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

       1   5 LYS  0.220 0.133 15 0 "[    .    1    .    2]" 
       1   6 GLU  0.393 0.245 12 0 "[    .    1    .    2]" 
       1   7 GLU  0.423 0.133 15 0 "[    .    1    .    2]" 
       1   8 LYS  1.272 0.245 12 0 "[    .    1    .    2]" 
       1   9 ILE  4.064 0.266  7 0 "[    .    1    .    2]" 
       1  10 LYS  3.957 0.246 18 0 "[    .    1    .    2]" 
       1  11 SER  0.140 0.140 12 0 "[    .    1    .    2]" 
       1  12 LEU  8.306 0.356  9 0 "[    .    1    .    2]" 
       1  13 ASN  2.108 0.356  9 0 "[    .    1    .    2]" 
       1  14 ARG  1.805 0.193 14 0 "[    .    1    .    2]" 
       1  15 MET  1.991 0.241  6 0 "[    .    1    .    2]" 
       1  16 GLN  2.375 0.224  4 0 "[    .    1    .    2]" 
       1  17 TYR  7.654 0.308 20 0 "[    .    1    .    2]" 
       1  18 GLU  2.276 0.241  6 0 "[    .    1    .    2]" 
       1  19 VAL 15.195 0.270  7 0 "[    .    1    .    2]" 
       1  20 THR  1.830 0.178 20 0 "[    .    1    .    2]" 
       1  21 GLN  4.084 0.178  2 0 "[    .    1    .    2]" 
       1  22 ASN  0.753 0.187  7 0 "[    .    1    .    2]" 
       1  23 ASN  3.023 0.270  7 0 "[    .    1    .    2]" 
       1  24 GLY  2.703 0.190 11 0 "[    .    1    .    2]" 
       1  25 THR  0.440 0.159 19 0 "[    .    1    .    2]" 
       1  26 GLU  2.007 0.197  5 0 "[    .    1    .    2]" 
       1  29 PHE  0.719 0.283  1 0 "[    .    1    .    2]" 
       1  30 GLN  1.089 0.273  1 0 "[    .    1    .    2]" 
       1  31 ASN  1.958 0.298  6 0 "[    .    1    .    2]" 
       1  32 GLU  0.583 0.241 14 0 "[    .    1    .    2]" 
       1  33 TYR  0.496 0.298  6 0 "[    .    1    .    2]" 
       1  34 TRP  2.749 0.298  6 0 "[    .    1    .    2]" 
       1  35 ASP  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  36 HIS  1.189 0.298  6 0 "[    .    1    .    2]" 
       1  37 LYS  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  38 GLU  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  39 GLU  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  40 GLY  0.326 0.179 15 0 "[    .    1    .    2]" 
       1  41 LEU 16.310 0.582 12 1 "[    .    1 +  .    2]" 
       1  42 TYR  3.054 0.277  2 0 "[    .    1    .    2]" 
       1  43 VAL  8.719 0.322 14 0 "[    .    1    .    2]" 
       1  44 ASP  3.608 0.350  6 0 "[    .    1    .    2]" 
       1  45 ILE  3.812 0.274  5 0 "[    .    1    .    2]" 
       1  46 VAL 16.002 0.365 20 0 "[    .    1    .    2]" 
       1  47 SER  1.202 0.138 17 0 "[    .    1    .    2]" 
       1  48 GLY  2.128 0.172  3 0 "[    .    1    .    2]" 
       1  49 LYS  1.454 0.240  9 0 "[    .    1    .    2]" 
       1  51 LEU  7.851 0.312  3 0 "[    .    1    .    2]" 
       1  52 PHE  3.722 0.322 14 0 "[    .    1    .    2]" 
       1  53 THR  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  54 SER  2.935 0.293 11 0 "[    .    1    .    2]" 
       1  55 LYS  0.673 0.158 17 0 "[    .    1    .    2]" 
       1  56 ASP  0.383 0.131 18 0 "[    .    1    .    2]" 
       1  57 LYS  2.057 0.293 11 0 "[    .    1    .    2]" 
       1  63 GLY  0.036 0.036 18 0 "[    .    1    .    2]" 
       1  64 TRP  0.847 0.170 18 0 "[    .    1    .    2]" 
       1  67 PHE  0.409 0.165  1 0 "[    .    1    .    2]" 
       1  68 THR  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  69 LYS  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  71 ILE  5.527 0.312  3 0 "[    .    1    .    2]" 
       1  72 GLU  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  73 GLU  0.203 0.041 12 0 "[    .    1    .    2]" 
       1  74 GLU  4.436 0.258 16 0 "[    .    1    .    2]" 
       1  75 VAL  8.750 0.374 17 0 "[    .    1    .    2]" 
       1  76 GLU  3.969 0.261  5 0 "[    .    1    .    2]" 
       1  77 GLU  0.509 0.179  4 0 "[    .    1    .    2]" 
       1  78 LYS  1.564 0.171 20 0 "[    .    1    .    2]" 
       1  79 LEU  7.415 0.266  9 0 "[    .    1    .    2]" 
       1  80 ASP  0.900 0.089  8 0 "[    .    1    .    2]" 
       1  81 THR  0.106 0.048  2 0 "[    .    1    .    2]" 
       1  82 SER  0.106 0.048  2 0 "[    .    1    .    2]" 
       1  83 HIS  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  84 GLY  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  85 MET  0.303 0.099 11 0 "[    .    1    .    2]" 
       1  86 ILE  1.364 0.188 19 0 "[    .    1    .    2]" 
       1  87 ARG  2.176 0.266  9 0 "[    .    1    .    2]" 
       1  88 THR  2.766 0.280 15 0 "[    .    1    .    2]" 
       1  89 GLU  5.031 0.218 16 0 "[    .    1    .    2]" 
       1  90 VAL  9.165 0.261  5 0 "[    .    1    .    2]" 
       1  91 ARG  3.217 0.374 17 0 "[    .    1    .    2]" 
       1  92 SER 10.603 1.852 17 4 "[  * .    *    . + -2]" 
       1  95 ALA  0.040 0.040 13 0 "[    .    1    .    2]" 
       1  96 ASP  2.288 1.042 10 1 "[    .    +    .    2]" 
       1  97 SER  7.697 1.852 17 3 "[  - .    *    . +  2]" 
       1  98 HIS  1.059 0.286 10 0 "[    .    1    .    2]" 
       1  99 LEU  2.763 0.837 19 1 "[    .    1    .   +2]" 
       1 100 GLY  1.959 0.203 19 0 "[    .    1    .    2]" 
       1 101 HIS  2.985 0.255 20 0 "[    .    1    .    2]" 
       1 102 VAL 12.573 0.280 15 0 "[    .    1    .    2]" 
       1 103 PHE  2.038 0.213  4 0 "[    .    1    .    2]" 
       1 104 ASN  0.688 0.298 15 0 "[    .    1    .    2]" 
       1 105 ASP  0.890 0.198 14 0 "[    .    1    .    2]" 
       1 106 GLY  0.883 0.298 15 0 "[    .    1    .    2]" 
       1 108 GLY  0.397 0.089 15 0 "[    .    1    .    2]" 
       1 110 ASN  1.953 0.961 15 1 "[    .    1    +    2]" 
       1 111 GLY  0.089 0.089 15 0 "[    .    1    .    2]" 
       1 112 LEU  4.322 0.961 15 1 "[    .    1    +    2]" 
       1 113 ARG  2.719 0.220 14 0 "[    .    1    .    2]" 
       1 114 TYR  0.866 0.165  1 0 "[    .    1    .    2]" 
       1 115 CYS  3.940 0.255 20 0 "[    .    1    .    2]" 
       1 116 ILE  1.166 0.129  7 0 "[    .    1    .    2]" 
       1 117 ASN  3.988 0.224 10 0 "[    .    1    .    2]" 
       1 118 SER  0.172 0.095  2 0 "[    .    1    .    2]" 
       1 119 ALA  0.446 0.145  1 0 "[    .    1    .    2]" 
       1 120 ALA  7.799 0.366 19 0 "[    .    1    .    2]" 
       1 121 LEU 11.317 0.366 19 0 "[    .    1    .    2]" 
       1 122 ARG  4.501 0.281  6 0 "[    .    1    .    2]" 
       1 123 PHE  2.639 0.359 11 0 "[    .    1    .    2]" 
       1 124 VAL  6.873 0.359 11 0 "[    .    1    .    2]" 
       1 126 LYS  1.853 0.141  9 0 "[    .    1    .    2]" 
       1 127 HIS  2.846 0.233  3 0 "[    .    1    .    2]" 
       1 128 LYS  5.719 0.244  2 0 "[    .    1    .    2]" 
       1 129 LEU 22.899 0.329 16 0 "[    .    1    .    2]" 
       1 130 LYS  4.549 0.278 10 0 "[    .    1    .    2]" 
       1 131 GLU  3.592 0.260 17 0 "[    .    1    .    2]" 
       1 132 GLU  2.649 0.252  2 0 "[    .    1    .    2]" 
       1 133 GLY  2.114 0.236  5 0 "[    .    1    .    2]" 
       1 134 TYR  8.378 0.320 14 0 "[    .    1    .    2]" 
       1 135 GLU  3.998 0.305  5 0 "[    .    1    .    2]" 
       1 137 TYR  1.140 0.133 14 0 "[    .    1    .    2]" 
       1 138 LEU 17.694 0.582 12 1 "[    .    1 +  .    2]" 
       1 140 LEU  5.377 0.325 10 0 "[    .    1    .    2]" 
       1 141 PHE  3.051 0.478  8 0 "[    .    1    .    2]" 
       1 142 ASN  0.799 0.192  3 0 "[    .    1    .    2]" 
       1 144 LEU  0.681 0.192  3 0 "[    .    1    .    2]" 
       1 145 GLU  0.342 0.141  9 0 "[    .    1    .    2]" 
    stop_

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

         1 1   5 LYS H    1   6 GLU H    3.910 . 3.910 2.769 2.549 3.077     .  0 0 "[    .    1    .    2]" 1 
         2 1   5 LYS H    1   7 GLU H    4.570 . 4.570 4.393 4.046 4.703 0.133 15 0 "[    .    1    .    2]" 1 
         3 1   6 GLU H    1   7 GLU H    3.330 . 3.330 2.774 2.641 3.135     .  0 0 "[    .    1    .    2]" 1 
         4 1   6 GLU H    1   8 LYS H    4.190 . 4.190 4.024 3.760 4.435 0.245 12 0 "[    .    1    .    2]" 1 
         5 1   6 GLU H    1   9 ILE H    5.050 . 5.050 4.776 4.590 4.902     .  0 0 "[    .    1    .    2]" 1 
         6 1   7 GLU H    1   8 LYS H    3.280 . 3.280 2.679 2.033 2.803     .  0 0 "[    .    1    .    2]" 1 
         7 1   7 GLU H    1   9 ILE H    4.470 . 4.470 4.341 3.622 4.573 0.103 18 0 "[    .    1    .    2]" 1 
         8 1   8 LYS H    1   9 ILE H    3.260 . 3.260 2.578 2.293 2.785     .  0 0 "[    .    1    .    2]" 1 
         9 1   8 LYS H    1   9 ILE MD   5.270 . 5.270 5.152 4.776 5.397 0.127 18 0 "[    .    1    .    2]" 1 
        10 1   8 LYS H    1  10 LYS H    4.250 . 4.250 4.084 3.853 4.409 0.159 12 0 "[    .    1    .    2]" 1 
        11 1   8 LYS H    1  11 SER H    5.650 . 5.650 5.166 4.790 5.790 0.140 12 0 "[    .    1    .    2]" 1 
        12 1   9 ILE H    1   9 ILE MD   3.660 . 3.660 3.243 2.901 3.535     .  0 0 "[    .    1    .    2]" 1 
        13 1   9 ILE H    1  10 LYS H    3.310 . 3.310 2.757 2.644 2.887     .  0 0 "[    .    1    .    2]" 1 
        14 1   9 ILE H    1  11 SER H    4.860 . 4.860 4.517 4.038 4.764     .  0 0 "[    .    1    .    2]" 1 
        15 1   9 ILE H    1  12 LEU H    4.940 . 4.940 4.941 4.771 5.110 0.170 13 0 "[    .    1    .    2]" 1 
        16 1   9 ILE H    1  12 LEU MD2  4.560 . 4.560 4.438 3.789 4.713 0.153  7 0 "[    .    1    .    2]" 1 
        17 1   9 ILE MD   1  10 LYS H    4.670 . 4.670 4.729 4.606 4.802 0.132 11 0 "[    .    1    .    2]" 1 
        18 1   9 ILE MD   1  12 LEU MD2  4.420 . 4.420 2.066 1.760 2.603 0.040  9 0 "[    .    1    .    2]" 1 
        19 1   9 ILE MD   1  13 ASN HD21 3.710 . 3.710 3.358 2.456 3.976 0.266  7 0 "[    .    1    .    2]" 1 
        20 1   9 ILE MD   1  13 ASN HD22 3.850 . 3.850 2.721 1.771 3.954 0.104  7 0 "[    .    1    .    2]" 1 
        21 1   9 ILE MD   1  46 VAL MG1  4.360 . 4.360 3.408 2.254 4.439 0.079 19 0 "[    .    1    .    2]" 1 
        22 1   9 ILE MD   1  46 VAL MG2  5.460 . 5.460 4.482 3.607 5.346     .  0 0 "[    .    1    .    2]" 1 
        23 1  10 LYS H    1  11 SER H    3.530 . 3.530 2.793 2.573 3.011     .  0 0 "[    .    1    .    2]" 1 
        24 1  10 LYS H    1  12 LEU H    4.170 . 4.170 4.266 3.994 4.416 0.246 18 0 "[    .    1    .    2]" 1 
        25 1  10 LYS H    1  12 LEU MD2  5.930 . 5.930 5.524 5.254 5.804     .  0 0 "[    .    1    .    2]" 1 
        26 1  10 LYS H    1  13 ASN H    5.050 . 5.050 4.797 4.615 5.185 0.135 13 0 "[    .    1    .    2]" 1 
        27 1  11 SER H    1  12 LEU H    3.140 . 3.140 2.638 2.367 2.881     .  0 0 "[    .    1    .    2]" 1 
        28 1  11 SER H    1  12 LEU MD2  6.000 . 6.000 5.766 5.411 5.991     .  0 0 "[    .    1    .    2]" 1 
        29 1  11 SER H    1  13 ASN H    5.610 . 5.610 4.284 4.002 4.543     .  0 0 "[    .    1    .    2]" 1 
        30 1  12 LEU H    1  12 LEU MD1  4.450 . 4.450 4.124 3.874 4.456 0.006  9 0 "[    .    1    .    2]" 1 
        31 1  12 LEU H    1  12 LEU MD2  4.440 . 4.440 4.224 4.087 4.495 0.055 20 0 "[    .    1    .    2]" 1 
        32 1  12 LEU H    1  13 ASN H    4.460 . 4.460 2.876 2.083 3.251     .  0 0 "[    .    1    .    2]" 1 
        33 1  12 LEU H    1  14 ARG H    5.260 . 5.260 4.176 2.849 4.508     .  0 0 "[    .    1    .    2]" 1 
        34 1  12 LEU MD1  1  13 ASN H    5.040 . 5.040 4.426 4.092 4.671     .  0 0 "[    .    1    .    2]" 1 
        35 1  12 LEU MD1  1  13 ASN HD21 4.620 . 4.620 4.382 3.786 4.976 0.356  9 0 "[    .    1    .    2]" 1 
        36 1  12 LEU MD1  1  13 ASN HD22 5.860 . 5.860 5.160 4.559 6.025 0.165  9 0 "[    .    1    .    2]" 1 
        37 1  12 LEU MD1  1  14 ARG H    6.000 . 6.000 5.543 5.027 5.845     .  0 0 "[    .    1    .    2]" 1 
        38 1  12 LEU MD1  1  15 MET H    6.000 . 6.000 4.829 4.401 5.322     .  0 0 "[    .    1    .    2]" 1 
        39 1  12 LEU MD1  1  16 GLN H    4.510 . 4.510 4.161 3.573 4.584 0.074 13 0 "[    .    1    .    2]" 1 
        40 1  12 LEU MD1  1  17 TYR H    6.000 . 6.000 6.032 5.167 6.308 0.308 20 0 "[    .    1    .    2]" 1 
        41 1  12 LEU MD1  1  46 VAL H    5.370 . 5.370 4.511 3.419 5.150     .  0 0 "[    .    1    .    2]" 1 
        42 1  12 LEU MD1  1  46 VAL MG1  5.210 . 5.210 3.839 2.637 4.497     .  0 0 "[    .    1    .    2]" 1 
        43 1  12 LEU MD1  1  46 VAL MG2  5.580 . 5.580 5.369 4.122 5.790 0.210 19 0 "[    .    1    .    2]" 1 
        44 1  12 LEU MD2  1  13 ASN H    4.220 . 4.220 3.917 3.621 4.261 0.041  7 0 "[    .    1    .    2]" 1 
        45 1  12 LEU MD2  1  13 ASN HD21 4.510 . 4.510 2.768 2.072 3.439     .  0 0 "[    .    1    .    2]" 1 
        46 1  12 LEU MD2  1  13 ASN HD22 4.730 . 4.730 2.955 2.201 4.709     .  0 0 "[    .    1    .    2]" 1 
        47 1  12 LEU MD2  1  16 GLN HE21 6.000 . 6.000 3.864 2.499 5.118     .  0 0 "[    .    1    .    2]" 1 
        48 1  12 LEU MD2  1  45 ILE H    5.440 . 5.440 4.418 3.794 4.908     .  0 0 "[    .    1    .    2]" 1 
        49 1  12 LEU MD2  1  45 ILE MD       . . 4.000 3.481 2.434 4.001 0.001  9 0 "[    .    1    .    2]" 1 
        50 1  12 LEU MD2  1  46 VAL H    4.400 . 4.400 3.191 2.597 3.930     .  0 0 "[    .    1    .    2]" 1 
        51 1  12 LEU MD2  1  46 VAL MG1  3.200 . 3.200 2.702 2.107 3.462 0.262 19 0 "[    .    1    .    2]" 1 
        52 1  12 LEU MD2  1  46 VAL MG2  4.770 . 4.770 4.199 3.512 4.777 0.007 20 0 "[    .    1    .    2]" 1 
        53 1  12 LEU MD2  1  47 SER H    5.410 . 5.410 4.794 4.500 5.479 0.069 15 0 "[    .    1    .    2]" 1 
        54 1  13 ASN H    1  13 ASN HD21 3.930 . 3.930 2.262 1.789 3.807 0.011 12 0 "[    .    1    .    2]" 1 
        55 1  13 ASN H    1  14 ARG H    3.710 . 3.710 2.616 2.505 2.694     .  0 0 "[    .    1    .    2]" 1 
        56 1  13 ASN HD21 1  46 VAL MG1  4.020 . 4.020 2.719 2.047 4.100 0.080 13 0 "[    .    1    .    2]" 1 
        57 1  13 ASN HD22 1  46 VAL MG1  4.490 . 4.490 2.151 1.749 3.093 0.051 12 0 "[    .    1    .    2]" 1 
        58 1  13 ASN HD22 1  46 VAL MG2  5.050 . 5.050 4.416 3.248 4.817     .  0 0 "[    .    1    .    2]" 1 
        59 1  14 ARG H    1  15 MET H    3.840 . 3.840 2.662 2.516 2.868     .  0 0 "[    .    1    .    2]" 1 
        60 1  14 ARG H    1  16 GLN H    4.850 . 4.850 4.352 4.129 4.512     .  0 0 "[    .    1    .    2]" 1 
        61 1  14 ARG H    1  17 TYR H    4.720 . 4.720 4.784 4.333 4.913 0.193 14 0 "[    .    1    .    2]" 1 
        62 1  15 MET H    1  16 GLN H    3.290 . 3.290 2.593 2.448 2.707     .  0 0 "[    .    1    .    2]" 1 
        63 1  15 MET H    1  17 TYR H    4.190 . 4.190 4.086 3.635 4.268 0.078 13 0 "[    .    1    .    2]" 1 
        64 1  15 MET H    1  18 GLU H    4.660 . 4.660 4.714 4.537 4.901 0.241  6 0 "[    .    1    .    2]" 1 
        65 1  15 MET H    1  19 VAL MG2  5.740 . 5.740 5.585 5.188 5.847 0.107  3 0 "[    .    1    .    2]" 1 
        66 1  16 GLN H    1  17 TYR H    3.510 . 3.510 2.699 2.478 2.815     .  0 0 "[    .    1    .    2]" 1 
        67 1  16 GLN H    1  18 GLU H    4.520 . 4.520 4.224 4.025 4.480     .  0 0 "[    .    1    .    2]" 1 
        68 1  16 GLN H    1  19 VAL H    4.830 . 4.830 4.750 4.590 4.971 0.141 18 0 "[    .    1    .    2]" 1 
        69 1  16 GLN H    1  19 VAL MG2  4.840 . 4.840 4.452 4.048 4.765     .  0 0 "[    .    1    .    2]" 1 
        70 1  16 GLN H    1  46 VAL MG1  5.090 . 5.090 4.947 4.379 5.314 0.224  4 0 "[    .    1    .    2]" 1 
        71 1  16 GLN QE   1  45 ILE MD   3.420 . 3.420 2.353 1.830 3.497 0.077 11 0 "[    .    1    .    2]" 1 
        72 1  16 GLN QE   1  46 VAL H    3.880 . 3.880 2.874 2.077 3.481     .  0 0 "[    .    1    .    2]" 1 
        73 1  16 GLN HE21 1  45 ILE MD   4.110 . 4.110 2.651 1.871 4.144 0.034  1 0 "[    .    1    .    2]" 1 
        74 1  16 GLN HE21 1  46 VAL H    4.620 . 4.620 4.245 2.705 4.810 0.190 17 0 "[    .    1    .    2]" 1 
        75 1  16 GLN HE21 1  46 VAL MG1  4.600 . 4.600 3.622 1.692 4.620 0.108  1 0 "[    .    1    .    2]" 1 
        76 1  16 GLN HE22 1  45 ILE MD   4.110 . 4.110 2.862 1.870 4.149 0.039  6 0 "[    .    1    .    2]" 1 
        77 1  16 GLN HE22 1  46 VAL H    4.620 . 4.620 3.024 2.090 3.807     .  0 0 "[    .    1    .    2]" 1 
        78 1  16 GLN HE22 1  46 VAL MG1  4.600 . 4.600 2.989 1.883 4.126     .  0 0 "[    .    1    .    2]" 1 
        79 1  17 TYR H    1  18 GLU H    3.350 . 3.350 2.763 2.052 2.970     .  0 0 "[    .    1    .    2]" 1 
        80 1  17 TYR H    1  19 VAL H    3.940 . 3.940 4.013 3.394 4.173 0.233  8 0 "[    .    1    .    2]" 1 
        81 1  17 TYR H    1  20 THR H    5.100 . 5.100 4.930 4.637 5.119 0.019 18 0 "[    .    1    .    2]" 1 
        82 1  17 TYR H    1  46 VAL MG1  4.950 . 4.950 4.819 3.664 5.210 0.260  8 0 "[    .    1    .    2]" 1 
        83 1  18 GLU H    1  19 VAL H    3.380 . 3.380 2.650 2.497 2.810     .  0 0 "[    .    1    .    2]" 1 
        84 1  18 GLU H    1  19 VAL MG2  4.960 . 4.960 4.254 3.918 4.592     .  0 0 "[    .    1    .    2]" 1 
        85 1  18 GLU H    1  20 THR H    4.650 . 4.650 4.656 4.380 4.828 0.178 20 0 "[    .    1    .    2]" 1 
        86 1  19 VAL H    1  19 VAL MG1  3.800 . 3.800 3.777 3.706 3.842 0.042  1 0 "[    .    1    .    2]" 1 
        87 1  19 VAL H    1  19 VAL MG2  2.820 . 2.820 2.448 2.153 2.733     .  0 0 "[    .    1    .    2]" 1 
        88 1  19 VAL H    1  20 THR H    3.750 . 3.750 2.748 2.543 2.894     .  0 0 "[    .    1    .    2]" 1 
        89 1  19 VAL H    1  21 GLN H    3.710 . 3.710 3.824 3.756 3.888 0.178  2 0 "[    .    1    .    2]" 1 
        90 1  19 VAL MG1  1  20 THR H    3.690 . 3.690 2.893 2.542 3.444     .  0 0 "[    .    1    .    2]" 1 
        91 1  19 VAL MG1  1  22 ASN H    5.130 . 5.130 4.858 4.446 5.317 0.187  7 0 "[    .    1    .    2]" 1 
        92 1  19 VAL MG1  1  23 ASN H    4.290 . 4.290 4.356 3.906 4.560 0.270  7 0 "[    .    1    .    2]" 1 
        93 1  19 VAL MG1  1  24 GLY H    3.800 . 3.800 3.130 2.075 3.886 0.086  7 0 "[    .    1    .    2]" 1 
        94 1  19 VAL MG1  1  25 THR H    4.870 . 4.870 4.244 3.795 4.912 0.042  1 0 "[    .    1    .    2]" 1 
        95 1  19 VAL MG1  1  26 GLU H    4.380 . 4.380 3.901 3.170 4.487 0.107  1 0 "[    .    1    .    2]" 1 
        96 1  19 VAL MG1  1 117 ASN H    4.480 . 4.480 4.598 4.471 4.704 0.224 10 0 "[    .    1    .    2]" 1 
        97 1  19 VAL MG1  1 117 ASN HD21 4.230 . 4.230 3.772 2.349 4.395 0.165 13 0 "[    .    1    .    2]" 1 
        98 1  19 VAL MG1  1 117 ASN HD22 4.230 . 4.230 3.793 2.868 4.281 0.051 13 0 "[    .    1    .    2]" 1 
        99 1  19 VAL MG1  1 119 ALA H    4.200 . 4.200 3.265 2.814 4.345 0.145  1 0 "[    .    1    .    2]" 1 
       100 1  19 VAL MG1  1 120 ALA H    4.090 . 4.090 3.944 3.470 4.241 0.151 16 0 "[    .    1    .    2]" 1 
       101 1  19 VAL MG2  1  20 THR H    3.890 . 3.890 3.876 3.653 4.017 0.127  2 0 "[    .    1    .    2]" 1 
       102 1  19 VAL MG2  1  24 GLY H    4.380 . 4.380 4.335 3.784 4.570 0.190 11 0 "[    .    1    .    2]" 1 
       103 1  19 VAL MG2  1  25 THR H    4.860 . 4.860 4.430 3.395 5.019 0.159 19 0 "[    .    1    .    2]" 1 
       104 1  19 VAL MG2  1  26 GLU H    3.750 . 3.750 3.681 3.070 3.947 0.197  5 0 "[    .    1    .    2]" 1 
       105 1  19 VAL MG2  1  64 TRP HE1  5.570 . 5.570 5.307 4.716 5.654 0.084  2 0 "[    .    1    .    2]" 1 
       106 1  19 VAL MG2  1 120 ALA H    4.860 . 4.860 4.846 4.049 5.065 0.205 11 0 "[    .    1    .    2]" 1 
       107 1  20 THR H    1  21 GLN H    4.040 . 4.040 2.794 2.664 2.967     .  0 0 "[    .    1    .    2]" 1 
       108 1  20 THR H    1  22 ASN H    4.770 . 4.770 4.452 4.258 4.663     .  0 0 "[    .    1    .    2]" 1 
       109 1  20 THR H    1  23 ASN H    4.770 . 4.770 4.733 4.490 4.881 0.111 20 0 "[    .    1    .    2]" 1 
       110 1  21 GLN H    1  22 ASN H    3.310 . 3.310 2.519 2.358 2.744     .  0 0 "[    .    1    .    2]" 1 
       111 1  21 GLN H    1  23 ASN H    3.710 . 3.710 3.657 3.424 3.839 0.129 10 0 "[    .    1    .    2]" 1 
       112 1  21 GLN H    1  24 GLY H    4.800 . 4.800 4.855 4.610 4.962 0.162  2 0 "[    .    1    .    2]" 1 
       113 1  22 ASN H    1  22 ASN QD   4.640 . 4.640 4.294 2.435 4.709 0.069  1 0 "[    .    1    .    2]" 1 
       114 1  22 ASN H    1  23 ASN H    3.470 . 3.470 2.143 1.744 2.277 0.056 17 0 "[    .    1    .    2]" 1 
       115 1  22 ASN H    1  24 GLY H    3.720 . 3.720 3.342 3.088 3.643     .  0 0 "[    .    1    .    2]" 1 
       116 1  22 ASN QD   1  23 ASN H    5.390 . 5.390 4.663 4.006 5.402 0.012  1 0 "[    .    1    .    2]" 1 
       117 1  22 ASN QD   1  24 GLY H    5.270 . 5.270 3.814 2.583 5.220     .  0 0 "[    .    1    .    2]" 1 
       118 1  22 ASN HD21 1  24 GLY H    6.000 . 6.000 4.065 2.603 5.713     .  0 0 "[    .    1    .    2]" 1 
       119 1  22 ASN HD22 1  24 GLY H    6.000 . 6.000 5.096 3.495 6.041 0.041  3 0 "[    .    1    .    2]" 1 
       120 1  23 ASN H    1  24 GLY H    3.400 . 3.400 2.654 2.440 3.137     .  0 0 "[    .    1    .    2]" 1 
       121 1  24 GLY H    1  25 THR H    4.760 . 4.760 4.506 4.452 4.602     .  0 0 "[    .    1    .    2]" 1 
       122 1  25 THR H    1  26 GLU H    4.490 . 4.490 4.398 4.212 4.563 0.073 12 0 "[    .    1    .    2]" 1 
       123 1  26 GLU H    1  64 TRP HE1  4.950 . 4.950 4.563 3.204 5.120 0.170 18 0 "[    .    1    .    2]" 1 
       124 1  29 PHE H    1  30 GLN H    4.450 . 4.450 2.681 1.904 4.538 0.088 11 0 "[    .    1    .    2]" 1 
       125 1  29 PHE H    1  31 ASN H    4.680 . 4.680 4.342 2.670 4.963 0.283  1 0 "[    .    1    .    2]" 1 
       126 1  30 GLN H    1  31 ASN H    3.630 . 3.630 2.865 2.320 3.903 0.273  1 0 "[    .    1    .    2]" 1 
       127 1  30 GLN H    1  34 TRP HE1  4.740 . 4.740 4.239 2.743 4.893 0.153 13 0 "[    .    1    .    2]" 1 
       128 1  31 ASN H    1  32 GLU H    4.600 . 4.600 4.426 4.228 4.649 0.049 20 0 "[    .    1    .    2]" 1 
       129 1  31 ASN H    1  34 TRP H    5.030 . 5.030 4.570 3.057 5.328 0.298  6 0 "[    .    1    .    2]" 1 
       130 1  31 ASN H    1  34 TRP HE1  4.360 . 4.360 3.636 1.957 4.506 0.146  7 0 "[    .    1    .    2]" 1 
       131 1  32 GLU H    1  33 TYR H    4.340 . 4.340 2.642 2.237 3.042     .  0 0 "[    .    1    .    2]" 1 
       132 1  32 GLU H    1  34 TRP H    4.550 . 4.550 4.044 2.995 4.791 0.241 14 0 "[    .    1    .    2]" 1 
       133 1  33 TYR H    1  34 TRP H    4.130 . 4.130 2.457 2.054 2.902     .  0 0 "[    .    1    .    2]" 1 
       134 1  33 TYR H    1  36 HIS H    6.000 . 6.000 5.506 4.761 6.298 0.298  6 0 "[    .    1    .    2]" 1 
       135 1  34 TRP H    1  35 ASP H    4.210 . 4.210 2.583 1.906 3.131     .  0 0 "[    .    1    .    2]" 1 
       136 1  34 TRP H    1  36 HIS H    4.670 . 4.670 4.396 3.473 4.857 0.187 19 0 "[    .    1    .    2]" 1 
       137 1  35 ASP H    1  36 HIS H    3.790 . 3.790 2.570 2.246 3.068     .  0 0 "[    .    1    .    2]" 1 
       138 1  37 LYS H    1  38 GLU H    3.780 . 3.780 2.784 2.085 3.328     .  0 0 "[    .    1    .    2]" 1 
       139 1  39 GLU H    1  40 GLY H    4.740 . 4.740 4.536 4.162 4.658     .  0 0 "[    .    1    .    2]" 1 
       140 1  40 GLY H    1  41 LEU H    4.500 . 4.500 4.072 2.379 4.461     .  0 0 "[    .    1    .    2]" 1 
       141 1  40 GLY H    1  54 SER H        . . 4.000 3.633 3.238 4.179 0.179 15 0 "[    .    1    .    2]" 1 
       142 1  40 GLY H    1  55 LYS H    4.980 . 4.980 3.833 2.330 4.912     .  0 0 "[    .    1    .    2]" 1 
       143 1  41 LEU H    1  41 LEU MD1  4.220 . 4.220 4.155 3.807 4.294 0.074 14 0 "[    .    1    .    2]" 1 
       144 1  41 LEU H    1  41 LEU MD2  4.290 . 4.290 4.108 3.836 4.381 0.091 10 0 "[    .    1    .    2]" 1 
       145 1  41 LEU H    1  42 TYR H    4.820 . 4.820 4.426 4.337 4.545     .  0 0 "[    .    1    .    2]" 1 
       146 1  41 LEU H    1  43 VAL MG1  5.410 . 5.410 4.636 4.179 5.098     .  0 0 "[    .    1    .    2]" 1 
       147 1  41 LEU H    1 124 VAL H    3.030 . 3.030 2.799 2.199 3.145 0.115 14 0 "[    .    1    .    2]" 1 
       148 1  41 LEU H    1 124 VAL MG1  4.950 . 4.950 4.463 4.001 4.674     .  0 0 "[    .    1    .    2]" 1 
       149 1  41 LEU H    1 124 VAL MG2  4.560 . 4.560 4.317 3.795 4.654 0.094  5 0 "[    .    1    .    2]" 1 
       150 1  41 LEU H    1 126 LYS H    5.200 . 5.200 5.065 4.582 5.341 0.141  9 0 "[    .    1    .    2]" 1 
       151 1  41 LEU H    1 129 LEU MD1  3.520 . 3.520 3.014 2.410 3.479     .  0 0 "[    .    1    .    2]" 1 
       152 1  41 LEU H    1 129 LEU MD2  3.920 . 3.920 3.188 2.335 3.773     .  0 0 "[    .    1    .    2]" 1 
       153 1  41 LEU MD1  1  42 TYR H    4.450 . 4.450 4.490 4.122 4.727 0.277  2 0 "[    .    1    .    2]" 1 
       154 1  41 LEU MD1  1  43 VAL MG1  3.470 . 3.470 2.956 2.513 3.287     .  0 0 "[    .    1    .    2]" 1 
       155 1  41 LEU MD1  1  43 VAL MG2  5.330 . 5.330 4.937 4.448 5.356 0.026  6 0 "[    .    1    .    2]" 1 
       156 1  41 LEU MD1  1  51 LEU H    5.280 . 5.280 4.666 4.022 5.234     .  0 0 "[    .    1    .    2]" 1 
       157 1  41 LEU MD1  1  52 PHE H    5.520 . 5.520 5.139 4.547 5.414     .  0 0 "[    .    1    .    2]" 1 
       158 1  41 LEU MD1  1  71 ILE MD       . . 4.000 3.648 3.217 4.114 0.114 20 0 "[    .    1    .    2]" 1 
       159 1  41 LEU MD1  1 124 VAL H    5.440 . 5.440 5.482 5.337 5.649 0.209 20 0 "[    .    1    .    2]" 1 
       160 1  41 LEU MD1  1 124 VAL MG1  4.910 . 4.910 4.483 3.730 4.948 0.038 11 0 "[    .    1    .    2]" 1 
       161 1  41 LEU MD1  1 124 VAL MG2  4.790 . 4.790 4.499 4.056 4.883 0.093 11 0 "[    .    1    .    2]" 1 
       162 1  41 LEU MD1  1 129 LEU MD1  3.120 . 3.120 2.635 2.224 3.306 0.186  3 0 "[    .    1    .    2]" 1 
       163 1  41 LEU MD1  1 129 LEU MD2  3.060 . 3.060 2.028 1.783 2.684 0.017  9 0 "[    .    1    .    2]" 1 
       164 1  41 LEU MD1  1 137 TYR H    4.630 . 4.630 3.769 2.314 4.707 0.077 17 0 "[    .    1    .    2]" 1 
       165 1  41 LEU MD1  1 138 LEU MD1  3.570 . 3.570 3.767 3.524 4.152 0.582 12 1 "[    .    1 +  .    2]" 1 
       166 1  41 LEU MD1  1 140 LEU H    5.870 . 5.870 5.072 3.674 6.195 0.325 10 0 "[    .    1    .    2]" 1 
       167 1  41 LEU MD1  1 140 LEU MD1      . . 4.000 3.631 2.596 4.244 0.244 10 0 "[    .    1    .    2]" 1 
       168 1  41 LEU MD1  1 141 PHE H    5.770 . 5.770 4.771 3.047 6.248 0.478  8 0 "[    .    1    .    2]" 1 
       169 1  41 LEU MD2  1  42 TYR H    3.140 . 3.140 3.106 2.795 3.305 0.165  5 0 "[    .    1    .    2]" 1 
       170 1  41 LEU MD2  1  43 VAL MG1  4.030 . 4.030 3.782 3.184 4.063 0.033 14 0 "[    .    1    .    2]" 1 
       171 1  41 LEU MD2  1  51 LEU H        . . 4.500 4.119 3.059 4.566 0.066  6 0 "[    .    1    .    2]" 1 
       172 1  41 LEU MD2  1  52 PHE H    3.930 . 3.930 3.692 2.788 4.032 0.102 17 0 "[    .    1    .    2]" 1 
       173 1  41 LEU MD2  1  54 SER H    3.680 . 3.680 3.350 2.464 3.756 0.076  4 0 "[    .    1    .    2]" 1 
       174 1  41 LEU MD2  1  71 ILE MD   3.720 . 3.720 2.672 2.105 3.449     .  0 0 "[    .    1    .    2]" 1 
       175 1  41 LEU MD2  1 129 LEU MD1  3.910 . 3.910 3.737 3.378 4.014 0.104  9 0 "[    .    1    .    2]" 1 
       176 1  41 LEU MD2  1 129 LEU MD2  4.380 . 4.380 4.141 3.710 4.510 0.130  2 0 "[    .    1    .    2]" 1 
       177 1  41 LEU MD2  1 138 LEU MD1  5.190 . 5.190 5.066 4.754 5.420 0.230  2 0 "[    .    1    .    2]" 1 
       178 1  41 LEU MD2  1 140 LEU MD1      . . 4.000 3.785 2.271 4.235 0.235 10 0 "[    .    1    .    2]" 1 
       179 1  42 TYR H    1  43 VAL MG1  3.730 . 3.730 3.633 3.135 3.845 0.115  2 0 "[    .    1    .    2]" 1 
       180 1  42 TYR H    1  51 LEU H    4.660 . 4.660 4.159 3.861 4.481     .  0 0 "[    .    1    .    2]" 1 
       181 1  42 TYR H    1  52 PHE H    3.660 . 3.660 3.347 2.997 3.609     .  0 0 "[    .    1    .    2]" 1 
       182 1  42 TYR H    1  54 SER H    4.440 . 4.440 3.906 3.287 4.667 0.227 17 0 "[    .    1    .    2]" 1 
       183 1  42 TYR H    1  71 ILE MD   5.650 . 5.650 4.961 4.222 5.678 0.028 10 0 "[    .    1    .    2]" 1 
       184 1  42 TYR H    1 124 VAL H    5.270 . 5.270 4.923 4.477 5.168     .  0 0 "[    .    1    .    2]" 1 
       185 1  42 TYR H    1 124 VAL MG2  5.690 . 5.690 5.319 4.547 5.727 0.037  9 0 "[    .    1    .    2]" 1 
       186 1  43 VAL H    1  43 VAL MG1  2.910 . 2.910 2.843 2.734 2.957 0.047 19 0 "[    .    1    .    2]" 1 
       187 1  43 VAL H    1  43 VAL MG2  2.940 . 2.940 2.381 2.231 2.726     .  0 0 "[    .    1    .    2]" 1 
       188 1  43 VAL H    1  44 ASP H    4.600 . 4.600 4.449 4.351 4.543     .  0 0 "[    .    1    .    2]" 1 
       189 1  43 VAL H    1  51 LEU H    5.460 . 5.460 4.925 4.642 5.416     .  0 0 "[    .    1    .    2]" 1 
       190 1  43 VAL H    1 121 LEU MD1  5.220 . 5.220 5.144 4.481 5.410 0.190 20 0 "[    .    1    .    2]" 1 
       191 1  43 VAL H    1 121 LEU MD2  4.920 . 4.920 3.762 3.056 4.310     .  0 0 "[    .    1    .    2]" 1 
       192 1  43 VAL H    1 122 ARG H    3.000 . 3.000 2.542 2.152 3.082 0.082 20 0 "[    .    1    .    2]" 1 
       193 1  43 VAL H    1 124 VAL H    4.960 . 4.960 4.721 4.339 5.045 0.085 15 0 "[    .    1    .    2]" 1 
       194 1  43 VAL H    1 124 VAL MG2  3.970 . 3.970 3.594 3.145 4.007 0.037 20 0 "[    .    1    .    2]" 1 
       195 1  43 VAL MG1  1  44 ASP H    4.070 . 4.070 3.944 3.786 4.146 0.076 15 0 "[    .    1    .    2]" 1 
       196 1  43 VAL MG1  1  49 LYS H    5.090 . 5.090 4.415 3.981 4.840     .  0 0 "[    .    1    .    2]" 1 
       197 1  43 VAL MG1  1  51 LEU H    3.670 . 3.670 2.995 2.606 3.346     .  0 0 "[    .    1    .    2]" 1 
       198 1  43 VAL MG1  1  52 PHE H    4.120 . 4.120 4.259 3.973 4.442 0.322 14 0 "[    .    1    .    2]" 1 
       199 1  43 VAL MG1  1  71 ILE MD   4.640 . 4.640 4.511 4.185 4.764 0.124 10 0 "[    .    1    .    2]" 1 
       200 1  43 VAL MG1  1 124 VAL H    4.460 . 4.460 4.181 3.759 4.517 0.057 15 0 "[    .    1    .    2]" 1 
       201 1  43 VAL MG1  1 124 VAL MG1  4.370 . 4.370 4.135 3.598 4.409 0.039  2 0 "[    .    1    .    2]" 1 
       202 1  43 VAL MG1  1 124 VAL MG2  2.880 . 2.880 2.632 2.222 2.944 0.064 12 0 "[    .    1    .    2]" 1 
       203 1  43 VAL MG1  1 129 LEU MD1  6.000 . 6.000 4.988 4.494 5.862     .  0 0 "[    .    1    .    2]" 1 
       204 1  43 VAL MG1  1 129 LEU MD2  4.120 . 4.120 3.536 3.005 4.077     .  0 0 "[    .    1    .    2]" 1 
       205 1  43 VAL MG2  1  44 ASP H    3.620 . 3.620 3.422 3.136 3.664 0.044 15 0 "[    .    1    .    2]" 1 
       206 1  43 VAL MG2  1  45 ILE H    4.120 . 4.120 3.822 3.341 4.069     .  0 0 "[    .    1    .    2]" 1 
       207 1  43 VAL MG2  1  45 ILE MD   4.960 . 4.960 4.897 4.240 5.234 0.274  5 0 "[    .    1    .    2]" 1 
       208 1  43 VAL MG2  1  48 GLY H    4.420 . 4.420 4.051 3.602 4.437 0.017 19 0 "[    .    1    .    2]" 1 
       209 1  43 VAL MG2  1  49 LYS H    4.130 . 4.130 3.987 3.605 4.238 0.108  2 0 "[    .    1    .    2]" 1 
       210 1  43 VAL MG2  1  51 LEU H    5.200 . 5.200 5.217 4.999 5.336 0.136  2 0 "[    .    1    .    2]" 1 
       211 1  43 VAL MG2  1 122 ARG H    3.410 . 3.410 3.240 2.885 3.455 0.045  2 0 "[    .    1    .    2]" 1 
       212 1  43 VAL MG2  1 123 PHE H    5.100 . 5.100 5.028 4.560 5.315 0.215  5 0 "[    .    1    .    2]" 1 
       213 1  43 VAL MG2  1 124 VAL MG2  3.110 . 3.110 2.131 1.923 2.493     .  0 0 "[    .    1    .    2]" 1 
       214 1  44 ASP H    1  45 ILE H    4.880 . 4.880 4.359 4.140 4.551     .  0 0 "[    .    1    .    2]" 1 
       215 1  44 ASP H    1  46 VAL H    5.550 . 5.550 5.486 5.318 5.675 0.125 17 0 "[    .    1    .    2]" 1 
       216 1  44 ASP H    1  46 VAL MG2  4.680 . 4.680 4.770 4.596 5.030 0.350  6 0 "[    .    1    .    2]" 1 
       217 1  44 ASP H    1  48 GLY H    4.740 . 4.740 4.474 3.956 4.822 0.082 18 0 "[    .    1    .    2]" 1 
       218 1  44 ASP H    1  49 LYS H    3.880 . 3.880 3.162 2.852 3.803     .  0 0 "[    .    1    .    2]" 1 
       219 1  44 ASP H    1  51 LEU H    4.870 . 4.870 4.539 4.209 4.868     .  0 0 "[    .    1    .    2]" 1 
       220 1  44 ASP H    1  51 LEU MD1  3.390 . 3.390 2.734 2.250 3.320     .  0 0 "[    .    1    .    2]" 1 
       221 1  44 ASP H    1  51 LEU MD2  4.420 . 4.420 3.342 2.696 3.795     .  0 0 "[    .    1    .    2]" 1 
       222 1  44 ASP H    1  99 LEU QD   5.790 . 5.790 4.385 3.928 4.842     .  0 0 "[    .    1    .    2]" 1 
       223 1  44 ASP H    1 121 LEU MD2  4.750 . 4.750 4.115 3.545 4.724     .  0 0 "[    .    1    .    2]" 1 
       224 1  44 ASP H    1 122 ARG H    5.170 . 5.170 5.178 4.981 5.380 0.210  1 0 "[    .    1    .    2]" 1 
       225 1  45 ILE H    1  45 ILE MD   4.190 . 4.190 3.513 3.328 3.610     .  0 0 "[    .    1    .    2]" 1 
       226 1  45 ILE H    1  46 VAL H    3.830 . 3.830 2.850 2.581 3.003     .  0 0 "[    .    1    .    2]" 1 
       227 1  45 ILE H    1  46 VAL MG1  5.760 . 5.760 4.306 3.675 4.853     .  0 0 "[    .    1    .    2]" 1 
       228 1  45 ILE H    1  46 VAL MG2  4.000 . 4.000 3.906 3.570 4.108 0.108 18 0 "[    .    1    .    2]" 1 
       229 1  45 ILE H    1  47 SER H    4.780 . 4.780 4.660 4.512 4.860 0.080 12 0 "[    .    1    .    2]" 1 
       230 1  45 ILE H    1  48 GLY H    5.020 . 5.020 4.777 4.481 5.040 0.020  5 0 "[    .    1    .    2]" 1 
       231 1  45 ILE H    1 121 LEU MD2  4.670 . 4.670 4.263 3.735 4.711 0.041 12 0 "[    .    1    .    2]" 1 
       232 1  45 ILE H    1 122 ARG H    4.240 . 4.240 4.181 3.613 4.447 0.207 15 0 "[    .    1    .    2]" 1 
       233 1  45 ILE MD   1  46 VAL H    4.690 . 4.690 4.729 4.635 4.826 0.136 11 0 "[    .    1    .    2]" 1 
       234 1  45 ILE MD   1 121 LEU H    4.890 . 4.890 3.809 2.734 4.920 0.030  2 0 "[    .    1    .    2]" 1 
       235 1  45 ILE MD   1 122 ARG H    4.710 . 4.710 4.296 3.745 4.710     .  0 0 "[    .    1    .    2]" 1 
       236 1  46 VAL H    1  46 VAL MG1  3.060 . 3.060 2.305 2.005 2.637     .  0 0 "[    .    1    .    2]" 1 
       237 1  46 VAL H    1  46 VAL MG2  3.330 . 3.330 2.020 1.796 2.242 0.004 14 0 "[    .    1    .    2]" 1 
       238 1  46 VAL H    1  47 SER H    4.000 . 4.000 2.844 2.556 3.033     .  0 0 "[    .    1    .    2]" 1 
       239 1  46 VAL H    1  48 GLY H    3.940 . 3.940 3.921 3.661 4.112 0.172  3 0 "[    .    1    .    2]" 1 
       240 1  46 VAL H    1  49 LYS H    6.000 . 6.000 5.666 5.096 6.058 0.058  7 0 "[    .    1    .    2]" 1 
       241 1  46 VAL MG1  1  47 SER H    4.170 . 4.170 4.126 3.919 4.308 0.138 17 0 "[    .    1    .    2]" 1 
       242 1  46 VAL MG1  1  48 GLY H    5.430 . 5.430 5.399 5.174 5.557 0.127  7 0 "[    .    1    .    2]" 1 
       243 1  46 VAL MG2  1  47 SER H    3.700 . 3.700 2.277 1.832 2.570     .  0 0 "[    .    1    .    2]" 1 
       244 1  46 VAL MG2  1  48 GLY H    3.790 . 3.790 3.714 3.292 3.894 0.104  4 0 "[    .    1    .    2]" 1 
       245 1  46 VAL MG2  1  49 LYS H    4.800 . 4.800 4.595 3.948 5.040 0.240  9 0 "[    .    1    .    2]" 1 
       246 1  46 VAL MG2  1  51 LEU MD1  4.670 . 4.670 4.712 4.387 4.960 0.290 18 0 "[    .    1    .    2]" 1 
       247 1  46 VAL MG2  1  97 SER H    5.960 . 5.960 5.426 4.078 6.325 0.365 20 0 "[    .    1    .    2]" 1 
       248 1  46 VAL MG2  1  98 HIS H    4.840 . 4.840 4.335 2.431 4.992 0.152  7 0 "[    .    1    .    2]" 1 
       249 1  46 VAL MG2  1  99 LEU QD   4.670 . 4.670 4.120 2.950 4.853 0.183  3 0 "[    .    1    .    2]" 1 
       250 1  47 SER H    1  48 GLY H    3.590 . 3.590 1.866 1.700 2.295 0.100 13 0 "[    .    1    .    2]" 1 
       251 1  47 SER H    1  49 LYS H    4.090 . 4.090 3.694 3.185 4.008     .  0 0 "[    .    1    .    2]" 1 
       252 1  47 SER HG   1  49 LYS H    4.700 . 4.700 4.223 3.216 4.766 0.066 17 0 "[    .    1    .    2]" 1 
       253 1  48 GLY H    1  49 LYS H    3.670 . 3.670 2.610 2.173 2.973     .  0 0 "[    .    1    .    2]" 1 
       254 1  49 LYS H    1  51 LEU MD1  5.730 . 5.730 5.050 4.520 5.481     .  0 0 "[    .    1    .    2]" 1 
       255 1  49 LYS H    1  51 LEU MD2  5.270 . 5.270 4.412 3.973 4.914     .  0 0 "[    .    1    .    2]" 1 
       256 1  51 LEU H    1  51 LEU MD1  4.370 . 4.370 3.995 3.888 4.132     .  0 0 "[    .    1    .    2]" 1 
       257 1  51 LEU H    1  51 LEU MD2  3.860 . 3.860 3.389 3.144 3.586     .  0 0 "[    .    1    .    2]" 1 
       258 1  51 LEU H    1  52 PHE H    3.220 . 3.220 2.078 1.871 2.328     .  0 0 "[    .    1    .    2]" 1 
       259 1  51 LEU H    1  71 ILE MD   3.600 . 3.600 3.277 2.879 3.632 0.032 10 0 "[    .    1    .    2]" 1 
       260 1  51 LEU MD1  1  52 PHE H    4.800 . 4.800 4.624 4.345 4.906 0.106 16 0 "[    .    1    .    2]" 1 
       261 1  51 LEU MD1  1  75 VAL MG2  3.980 . 3.980 3.686 3.258 4.050 0.070 12 0 "[    .    1    .    2]" 1 
       262 1  51 LEU MD1  1  99 LEU H    5.780 . 5.780 4.906 4.361 5.684     .  0 0 "[    .    1    .    2]" 1 
       263 1  51 LEU MD1  1  99 LEU QD   2.760 . 2.760 2.024 1.788 2.696 0.012  9 0 "[    .    1    .    2]" 1 
       264 1  51 LEU MD1  1 116 ILE MD   4.510 . 4.510 3.678 2.797 4.536 0.026  3 0 "[    .    1    .    2]" 1 
       265 1  51 LEU MD1  1 121 LEU MD1  4.660 . 4.660 4.092 3.458 4.716 0.056 16 0 "[    .    1    .    2]" 1 
       266 1  51 LEU MD1  1 121 LEU MD2  3.240 . 3.240 2.251 1.943 2.762     .  0 0 "[    .    1    .    2]" 1 
       267 1  51 LEU MD2  1  52 PHE H    4.740 . 4.740 4.537 4.427 4.688     .  0 0 "[    .    1    .    2]" 1 
       268 1  51 LEU MD2  1  71 ILE H    5.020 . 5.020 4.855 4.169 5.332 0.312  3 0 "[    .    1    .    2]" 1 
       269 1  51 LEU MD2  1  71 ILE MD   4.350 . 4.350 4.448 4.227 4.590 0.240 20 0 "[    .    1    .    2]" 1 
       270 1  51 LEU MD2  1  74 GLU H    4.720 . 4.720 4.654 4.257 4.978 0.258 16 0 "[    .    1    .    2]" 1 
       271 1  51 LEU MD2  1  75 VAL H    5.650 . 5.650 4.603 3.946 4.994     .  0 0 "[    .    1    .    2]" 1 
       272 1  51 LEU MD2  1  75 VAL MG1  4.740 . 4.740 4.299 3.592 4.734     .  0 0 "[    .    1    .    2]" 1 
       273 1  51 LEU MD2  1  75 VAL MG2  2.920 . 2.920 2.348 1.873 2.739     .  0 0 "[    .    1    .    2]" 1 
       274 1  51 LEU MD2  1  99 LEU QD   2.520 . 2.520 1.953 1.713 2.164 0.087 18 0 "[    .    1    .    2]" 1 
       275 1  51 LEU MD2  1 121 LEU MD2  5.510 . 5.510 4.531 4.148 5.015     .  0 0 "[    .    1    .    2]" 1 
       276 1  52 PHE H    1  71 ILE H    5.080 . 5.080 4.896 4.506 5.172 0.092  1 0 "[    .    1    .    2]" 1 
       277 1  52 PHE H    1  71 ILE MD   3.540 . 3.540 3.149 2.568 3.576 0.036 10 0 "[    .    1    .    2]" 1 
       278 1  53 THR H    1  71 ILE MD   4.740 . 4.740 4.027 3.439 4.707     .  0 0 "[    .    1    .    2]" 1 
       279 1  54 SER H    1  55 LYS H    3.780 . 3.780 2.574 2.378 2.775     .  0 0 "[    .    1    .    2]" 1 
       280 1  54 SER H    1  56 ASP H    4.460 . 4.460 4.335 4.038 4.591 0.131 18 0 "[    .    1    .    2]" 1 
       281 1  54 SER H    1  57 LYS H    5.600 . 5.600 5.362 4.905 5.754 0.154  9 0 "[    .    1    .    2]" 1 
       282 1  54 SER HG   1  55 LYS H    4.500 . 4.500 4.175 2.471 4.658 0.158 17 0 "[    .    1    .    2]" 1 
       283 1  54 SER HG   1  56 ASP H    5.660 . 5.660 5.373 4.659 5.684 0.024 13 0 "[    .    1    .    2]" 1 
       284 1  54 SER HG   1  57 LYS H    4.500 . 4.500 4.500 4.178 4.793 0.293 11 0 "[    .    1    .    2]" 1 
       285 1  55 LYS H    1  56 ASP H    3.780 . 3.780 2.727 2.536 2.986     .  0 0 "[    .    1    .    2]" 1 
       286 1  55 LYS H    1  57 LYS H    4.280 . 4.280 4.209 3.815 4.423 0.143  9 0 "[    .    1    .    2]" 1 
       287 1  56 ASP H    1  57 LYS H    3.570 . 3.570 2.577 2.217 2.960     .  0 0 "[    .    1    .    2]" 1 
       288 1  63 GLY H    1  64 TRP H    4.270 . 4.270 3.421 2.397 4.306 0.036 18 0 "[    .    1    .    2]" 1 
       289 1  67 PHE H    1 114 TYR H    3.700 . 3.700 3.406 2.830 3.865 0.165  1 0 "[    .    1    .    2]" 1 
       290 1  68 THR H    1  69 LYS H    3.170 . 3.170 2.371 2.138 2.738     .  0 0 "[    .    1    .    2]" 1 
       291 1  71 ILE H    1  71 ILE MD   3.970 . 3.970 3.850 3.422 4.064 0.094 12 0 "[    .    1    .    2]" 1 
       292 1  71 ILE H    1  72 GLU H    4.680 . 4.680 4.344 4.076 4.571     .  0 0 "[    .    1    .    2]" 1 
       293 1  71 ILE H    1  73 GLU H    5.980 . 5.980 5.361 5.042 5.643     .  0 0 "[    .    1    .    2]" 1 
       294 1  71 ILE H    1  74 GLU H    6.000 . 6.000 5.416 5.063 5.978     .  0 0 "[    .    1    .    2]" 1 
       295 1  71 ILE H    1  75 VAL MG1  5.400 . 5.400 4.645 3.752 5.538 0.138 10 0 "[    .    1    .    2]" 1 
       296 1  71 ILE H    1  75 VAL MG2  3.750 . 3.750 2.991 2.361 3.772 0.022 11 0 "[    .    1    .    2]" 1 
       297 1  71 ILE MD   1 140 LEU MD1  3.260 . 3.260 2.167 1.764 2.664 0.036  6 0 "[    .    1    .    2]" 1 
       298 1  71 ILE MD   1 140 LEU MD2  4.530 . 4.530 3.799 2.469 4.772 0.242 12 0 "[    .    1    .    2]" 1 
       299 1  72 GLU H    1  73 GLU H    3.830 . 3.830 2.553 2.389 2.735     .  0 0 "[    .    1    .    2]" 1 
       300 1  73 GLU H    1  74 GLU H    2.950 . 2.950 2.662 2.346 2.883     .  0 0 "[    .    1    .    2]" 1 
       301 1  73 GLU H    1  75 VAL H    3.920 . 3.920 3.791 3.547 3.961 0.041 12 0 "[    .    1    .    2]" 1 
       302 1  73 GLU H    1  75 VAL MG2  5.040 . 5.040 4.835 4.534 5.073 0.033  5 0 "[    .    1    .    2]" 1 
       303 1  74 GLU H    1  75 VAL H    3.620 . 3.620 2.209 2.100 2.325     .  0 0 "[    .    1    .    2]" 1 
       304 1  74 GLU H    1  75 VAL MG1  5.300 . 5.300 5.439 5.238 5.549 0.249 13 0 "[    .    1    .    2]" 1 
       305 1  74 GLU H    1  75 VAL MG2  3.730 . 3.730 3.502 3.058 3.822 0.092 16 0 "[    .    1    .    2]" 1 
       306 1  75 VAL H    1  75 VAL MG1  4.020 . 4.020 3.824 3.744 3.955     .  0 0 "[    .    1    .    2]" 1 
       307 1  75 VAL H    1  75 VAL MG2  3.580 . 3.580 2.672 2.344 2.899     .  0 0 "[    .    1    .    2]" 1 
       308 1  75 VAL H    1  76 GLU H    4.760 . 4.760 4.390 4.140 4.590     .  0 0 "[    .    1    .    2]" 1 
       309 1  75 VAL H    1  99 LEU QD   4.930 . 4.930 4.302 4.033 4.710     .  0 0 "[    .    1    .    2]" 1 
       310 1  75 VAL MG1  1  76 GLU H    3.110 . 3.110 2.697 2.285 2.964     .  0 0 "[    .    1    .    2]" 1 
       311 1  75 VAL MG1  1  77 GLU H    4.170 . 4.170 4.052 3.770 4.349 0.179  4 0 "[    .    1    .    2]" 1 
       312 1  75 VAL MG1  1  90 VAL MG1  3.020 . 3.020 2.297 2.083 2.487     .  0 0 "[    .    1    .    2]" 1 
       313 1  75 VAL MG1  1  90 VAL MG2  4.010 . 4.010 2.985 2.777 3.130     .  0 0 "[    .    1    .    2]" 1 
       314 1  75 VAL MG1  1  91 ARG H    4.190 . 4.190 4.271 3.836 4.564 0.374 17 0 "[    .    1    .    2]" 1 
       315 1  75 VAL MG1  1  99 LEU QD   4.330 . 4.330 2.344 2.088 2.569     .  0 0 "[    .    1    .    2]" 1 
       316 1  75 VAL MG1  1 102 VAL MG2  5.580 . 5.580 5.112 4.414 5.699 0.119  5 0 "[    .    1    .    2]" 1 
       317 1  75 VAL MG2  1  76 GLU H    3.940 . 3.940 4.012 3.811 4.151 0.211 10 0 "[    .    1    .    2]" 1 
       318 1  75 VAL MG2  1  90 VAL MG1  4.530 . 4.530 4.172 3.928 4.389     .  0 0 "[    .    1    .    2]" 1 
       319 1  75 VAL MG2  1  90 VAL MG2  4.020 . 4.020 4.008 3.781 4.185 0.165  2 0 "[    .    1    .    2]" 1 
       320 1  75 VAL MG2  1  99 LEU QD   3.140 . 3.140 2.096 1.735 2.646 0.065 17 0 "[    .    1    .    2]" 1 
       321 1  76 GLU H    1  77 GLU H    4.350 . 4.350 4.271 4.068 4.396 0.046  4 0 "[    .    1    .    2]" 1 
       322 1  76 GLU H    1  90 VAL MG1  4.040 . 4.040 4.004 3.528 4.301 0.261  5 0 "[    .    1    .    2]" 1 
       323 1  76 GLU H    1  90 VAL MG2  4.920 . 4.920 4.933 4.729 5.154 0.234  5 0 "[    .    1    .    2]" 1 
       324 1  76 GLU H    1  91 ARG H    3.390 . 3.390 3.297 2.847 3.598 0.208 16 0 "[    .    1    .    2]" 1 
       325 1  76 GLU H    1  99 LEU QD   3.860 . 3.860 2.786 2.274 3.539     .  0 0 "[    .    1    .    2]" 1 
       326 1  77 GLU H    1  78 LYS H    4.600 . 4.600 4.524 4.332 4.635 0.035 13 0 "[    .    1    .    2]" 1 
       327 1  77 GLU H    1  90 VAL MG1  4.630 . 4.630 3.931 3.220 4.430     .  0 0 "[    .    1    .    2]" 1 
       328 1  77 GLU H    1  91 ARG H    6.000 . 6.000 5.106 4.866 5.417     .  0 0 "[    .    1    .    2]" 1 
       329 1  78 LYS H    1  79 LEU H    4.170 . 4.170 4.018 3.653 4.252 0.082  3 0 "[    .    1    .    2]" 1 
       330 1  78 LYS H    1  89 GLU H    3.210 . 3.210 3.000 2.572 3.310 0.100  5 0 "[    .    1    .    2]" 1 
       331 1  78 LYS H    1  90 VAL H    5.320 . 5.320 4.894 4.599 5.147     .  0 0 "[    .    1    .    2]" 1 
       332 1  78 LYS H    1  90 VAL MG1  4.040 . 4.040 3.869 3.593 4.149 0.109 13 0 "[    .    1    .    2]" 1 
       333 1  78 LYS H    1  90 VAL MG2  5.730 . 5.730 5.595 5.309 5.770 0.040 13 0 "[    .    1    .    2]" 1 
       334 1  78 LYS H    1  91 ARG H    4.890 . 4.890 4.456 3.841 4.905 0.015 17 0 "[    .    1    .    2]" 1 
       335 1  78 LYS H    1 102 VAL MG1  5.610 . 5.610 5.545 4.984 5.781 0.171 20 0 "[    .    1    .    2]" 1 
       336 1  78 LYS H    1 102 VAL MG2  4.830 . 4.830 4.467 3.885 4.863 0.033  6 0 "[    .    1    .    2]" 1 
       337 1  79 LEU H    1  79 LEU MD1  4.050 . 4.050 4.127 4.004 4.233 0.183 10 0 "[    .    1    .    2]" 1 
       338 1  79 LEU H    1  79 LEU MD2  4.260 . 4.260 4.317 4.264 4.358 0.098 19 0 "[    .    1    .    2]" 1 
       339 1  79 LEU H    1  80 ASP H    4.650 . 4.650 4.574 4.523 4.643     .  0 0 "[    .    1    .    2]" 1 
       340 1  79 LEU H    1  89 GLU H    4.740 . 4.740 4.800 4.395 4.957 0.217  3 0 "[    .    1    .    2]" 1 
       341 1  79 LEU MD1  1  80 ASP H    2.850 . 2.850 2.316 2.003 2.655     .  0 0 "[    .    1    .    2]" 1 
       342 1  79 LEU MD1  1  86 ILE MD   4.250 . 4.250 2.743 1.911 4.182     .  0 0 "[    .    1    .    2]" 1 
       343 1  79 LEU MD1  1  87 ARG H    3.040 . 3.040 2.864 2.301 3.306 0.266  9 0 "[    .    1    .    2]" 1 
       344 1  79 LEU MD1  1  88 THR H    4.250 . 4.250 3.979 3.248 4.421 0.171  3 0 "[    .    1    .    2]" 1 
       345 1  79 LEU MD1  1  89 GLU H    4.970 . 4.970 4.825 4.035 5.041 0.071 14 0 "[    .    1    .    2]" 1 
       346 1  79 LEU MD2  1  80 ASP H    4.470 . 4.470 4.259 4.006 4.504 0.034  4 0 "[    .    1    .    2]" 1 
       347 1  79 LEU MD2  1  86 ILE MD   4.790 . 4.790 2.951 1.901 4.025     .  0 0 "[    .    1    .    2]" 1 
       348 1  79 LEU MD2  1  87 ARG H    4.920 . 4.920 4.916 4.557 5.091 0.171  9 0 "[    .    1    .    2]" 1 
       349 1  80 ASP H    1  81 THR H    4.680 . 4.680 4.284 3.869 4.435     .  0 0 "[    .    1    .    2]" 1 
       350 1  80 ASP H    1  86 ILE MD       . . 5.500 4.745 3.410 5.581 0.081 10 0 "[    .    1    .    2]" 1 
       351 1  80 ASP H    1  87 ARG H    3.490 . 3.490 3.192 2.798 3.522 0.032 18 0 "[    .    1    .    2]" 1 
       352 1  80 ASP H    1  88 THR H    4.890 . 4.890 4.771 4.389 4.959 0.069  8 0 "[    .    1    .    2]" 1 
       353 1  80 ASP H    1  89 GLU H    4.760 . 4.760 4.400 3.661 4.849 0.089  8 0 "[    .    1    .    2]" 1 
       354 1  81 THR H    1  82 SER H    4.730 . 4.730 2.710 1.752 4.238 0.048  2 0 "[    .    1    .    2]" 1 
       355 1  82 SER H    1  83 HIS H    4.950 . 4.950 2.694 2.497 2.996     .  0 0 "[    .    1    .    2]" 1 
       356 1  83 HIS H    1  84 GLY H    4.690 . 4.690 3.139 2.483 4.400     .  0 0 "[    .    1    .    2]" 1 
       357 1  83 HIS H    1  85 MET H    4.820 . 4.820 3.358 2.411 4.105     .  0 0 "[    .    1    .    2]" 1 
       358 1  84 GLY H    1  85 MET H    3.500 . 3.500 2.719 2.072 3.124     .  0 0 "[    .    1    .    2]" 1 
       359 1  85 MET H    1  86 ILE H    4.420 . 4.420 4.360 4.223 4.519 0.099 11 0 "[    .    1    .    2]" 1 
       360 1  86 ILE H    1  86 ILE MD   4.110 . 4.110 3.715 3.252 4.298 0.188 19 0 "[    .    1    .    2]" 1 
       361 1  86 ILE H    1  87 ARG H    4.650 . 4.650 4.462 4.312 4.611     .  0 0 "[    .    1    .    2]" 1 
       362 1  86 ILE MD   1  87 ARG H    4.150 . 4.150 3.446 2.220 4.319 0.169  1 0 "[    .    1    .    2]" 1 
       363 1  87 ARG H    1  88 THR H    4.650 . 4.650 4.230 3.740 4.350     .  0 0 "[    .    1    .    2]" 1 
       364 1  88 THR H    1  89 GLU H    4.590 . 4.590 4.386 4.303 4.534     .  0 0 "[    .    1    .    2]" 1 
       365 1  88 THR H    1 102 VAL H        . . 4.000 4.074 3.904 4.280 0.280 15 0 "[    .    1    .    2]" 1 
       366 1  88 THR H    1 102 VAL MG1  5.840 . 5.840 5.679 5.328 6.028 0.188 12 0 "[    .    1    .    2]" 1 
       367 1  88 THR H    1 102 VAL MG2  4.300 . 4.300 3.422 3.047 3.997     .  0 0 "[    .    1    .    2]" 1 
       368 1  88 THR H    1 112 LEU QD   4.800 . 4.800 4.015 3.384 4.576     .  0 0 "[    .    1    .    2]" 1 
       369 1  89 GLU H    1  90 VAL H    4.550 . 4.550 4.451 4.301 4.575 0.025 20 0 "[    .    1    .    2]" 1 
       370 1  89 GLU H    1  90 VAL MG1  4.960 . 4.960 4.821 4.627 5.020 0.060  1 0 "[    .    1    .    2]" 1 
       371 1  89 GLU H    1 102 VAL H    4.550 . 4.550 4.606 4.430 4.768 0.218 16 0 "[    .    1    .    2]" 1 
       372 1  89 GLU H    1 102 VAL MG1  6.000 . 6.000 5.403 4.955 5.694     .  0 0 "[    .    1    .    2]" 1 
       373 1  89 GLU H    1 102 VAL MG2  4.020 . 4.020 3.936 3.695 4.133 0.113  8 0 "[    .    1    .    2]" 1 
       374 1  90 VAL H    1  90 VAL MG1  3.160 . 3.160 2.921 2.721 3.230 0.070 10 0 "[    .    1    .    2]" 1 
       375 1  90 VAL H    1  90 VAL MG2  2.740 . 2.740 2.070 1.960 2.316     .  0 0 "[    .    1    .    2]" 1 
       376 1  90 VAL H    1  91 ARG H    4.460 . 4.460 4.299 4.033 4.430     .  0 0 "[    .    1    .    2]" 1 
       377 1  90 VAL H    1  99 LEU QD   5.160 . 5.160 4.669 4.105 5.016     .  0 0 "[    .    1    .    2]" 1 
       378 1  90 VAL H    1 100 GLY H        . . 4.000 3.969 3.396 4.203 0.203 19 0 "[    .    1    .    2]" 1 
       379 1  90 VAL H    1 101 HIS H    4.520 . 4.520 4.418 4.082 4.638 0.118 10 0 "[    .    1    .    2]" 1 
       380 1  90 VAL H    1 102 VAL H    4.600 . 4.600 3.880 3.563 4.541     .  0 0 "[    .    1    .    2]" 1 
       381 1  90 VAL H    1 102 VAL MG1  4.010 . 4.010 3.276 2.915 3.803     .  0 0 "[    .    1    .    2]" 1 
       382 1  90 VAL H    1 102 VAL MG2  4.410 . 4.410 3.968 3.108 4.567 0.157 10 0 "[    .    1    .    2]" 1 
       383 1  90 VAL H    1 116 ILE MD   5.060 . 5.060 4.591 4.354 4.808     .  0 0 "[    .    1    .    2]" 1 
       384 1  90 VAL MG1  1  91 ARG H    4.230 . 4.230 3.835 3.643 4.049     .  0 0 "[    .    1    .    2]" 1 
       385 1  90 VAL MG1  1  99 LEU QD   4.180 . 4.180 3.666 3.383 3.936     .  0 0 "[    .    1    .    2]" 1 
       386 1  90 VAL MG1  1 100 GLY H    5.270 . 5.270 5.275 5.082 5.415 0.145  5 0 "[    .    1    .    2]" 1 
       387 1  90 VAL MG1  1 102 VAL H    4.250 . 4.250 4.260 3.886 4.440 0.190  5 0 "[    .    1    .    2]" 1 
       388 1  90 VAL MG1  1 102 VAL MG1  3.080 . 3.080 1.944 1.799 2.036 0.001 11 0 "[    .    1    .    2]" 1 
       389 1  90 VAL MG1  1 102 VAL MG2  3.640 . 3.640 2.629 2.030 3.243     .  0 0 "[    .    1    .    2]" 1 
       390 1  90 VAL MG1  1 112 LEU QD   4.900 . 4.900 3.681 3.314 4.349     .  0 0 "[    .    1    .    2]" 1 
       391 1  90 VAL MG1  1 115 CYS H    5.220 . 5.220 5.202 4.822 5.445 0.225 15 0 "[    .    1    .    2]" 1 
       392 1  90 VAL MG1  1 116 ILE MD   4.230 . 4.230 3.716 3.406 4.096     .  0 0 "[    .    1    .    2]" 1 
       393 1  90 VAL MG2  1  91 ARG H    4.240 . 4.240 4.184 4.037 4.285 0.045 14 0 "[    .    1    .    2]" 1 
       394 1  90 VAL MG2  1  99 LEU H    4.910 . 4.910 4.665 3.944 5.086 0.176 19 0 "[    .    1    .    2]" 1 
       395 1  90 VAL MG2  1  99 LEU QD   4.720 . 4.720 2.769 1.974 3.099     .  0 0 "[    .    1    .    2]" 1 
       396 1  90 VAL MG2  1 100 GLY H    3.130 . 3.130 2.579 2.346 2.827     .  0 0 "[    .    1    .    2]" 1 
       397 1  90 VAL MG2  1 101 HIS H    3.620 . 3.620 3.570 3.191 3.794 0.174  5 0 "[    .    1    .    2]" 1 
       398 1  90 VAL MG2  1 102 VAL H    4.400 . 4.400 4.114 3.817 4.370     .  0 0 "[    .    1    .    2]" 1 
       399 1  90 VAL MG2  1 102 VAL MG1  2.970 . 2.970 2.221 1.923 2.545     .  0 0 "[    .    1    .    2]" 1 
       400 1  90 VAL MG2  1 102 VAL MG2  4.360 . 4.360 3.822 3.263 4.418 0.058 11 0 "[    .    1    .    2]" 1 
       401 1  90 VAL MG2  1 115 CYS H    4.510 . 4.510 4.213 3.837 4.563 0.053  7 0 "[    .    1    .    2]" 1 
       402 1  90 VAL MG2  1 116 ILE MD   3.030 . 3.030 2.058 1.880 2.208     .  0 0 "[    .    1    .    2]" 1 
       403 1  91 ARG H    1  92 SER H    4.800 . 4.800 4.112 3.815 4.544     .  0 0 "[    .    1    .    2]" 1 
       404 1  91 ARG H    1  99 LEU QD   3.770 . 3.770 3.211 2.748 3.957 0.187 19 0 "[    .    1    .    2]" 1 
       405 1  92 SER H    1  96 ASP H    4.570 . 4.570 4.493 3.703 5.612 1.042 10 1 "[    .    +    .    2]" 1 
       406 1  92 SER H    1  97 SER H    4.360 . 4.360 4.370 2.847 6.212 1.852 17 3 "[  - .    *    . +  2]" 1 
       407 1  92 SER H    1  98 HIS H    5.090 . 5.090 4.634 2.809 5.376 0.286 10 0 "[    .    1    .    2]" 1 
       408 1  92 SER H    1  99 LEU H    5.250 . 5.250 4.381 3.081 5.485 0.235 17 0 "[    .    1    .    2]" 1 
       409 1  92 SER H    1  99 LEU QD   3.330 . 3.330 3.041 2.416 4.167 0.837 19 1 "[    .    1    .   +2]" 1 
       410 1  95 ALA H    1  96 ASP H    3.780 . 3.780 2.306 1.760 3.089 0.040 13 0 "[    .    1    .    2]" 1 
       411 1  96 ASP H    1  97 SER H    4.110 . 4.110 2.933 2.426 3.483     .  0 0 "[    .    1    .    2]" 1 
       412 1  97 SER H    1  98 HIS H    4.980 . 4.980 2.494 1.819 2.937     .  0 0 "[    .    1    .    2]" 1 
       413 1  98 HIS H    1  99 LEU H    4.460 . 4.460 2.737 2.402 3.207     .  0 0 "[    .    1    .    2]" 1 
       414 1  98 HIS H    1  99 LEU QD   4.810 . 4.810 4.092 3.468 4.569     .  0 0 "[    .    1    .    2]" 1 
       415 1  99 LEU H    1  99 LEU QD   3.360 . 3.360 2.705 2.334 2.969     .  0 0 "[    .    1    .    2]" 1 
       416 1  99 LEU H    1 100 GLY H    3.320 . 3.320 3.226 2.600 3.386 0.066 19 0 "[    .    1    .    2]" 1 
       417 1  99 LEU H    1 116 ILE MD   5.560 . 5.560 5.147 4.679 5.689 0.129  7 0 "[    .    1    .    2]" 1 
       418 1  99 LEU QD   1 100 GLY H    4.250 . 4.250 3.634 1.885 3.883     .  0 0 "[    .    1    .    2]" 1 
       419 1  99 LEU QD   1 116 ILE MD   4.390 . 4.390 3.360 2.100 3.991     .  0 0 "[    .    1    .    2]" 1 
       420 1  99 LEU QD   1 121 LEU MD2  5.340 . 5.340 4.183 3.492 5.054     .  0 0 "[    .    1    .    2]" 1 
       421 1 100 GLY H    1 101 HIS H    4.690 . 4.690 4.344 4.266 4.440     .  0 0 "[    .    1    .    2]" 1 
       422 1 100 GLY H    1 116 ILE MD   4.030 . 4.030 3.539 2.800 3.936     .  0 0 "[    .    1    .    2]" 1 
       423 1 101 HIS H    1 102 VAL H    4.630 . 4.630 4.447 4.374 4.529     .  0 0 "[    .    1    .    2]" 1 
       424 1 101 HIS H    1 102 VAL MG1  4.390 . 4.390 4.200 3.852 4.475 0.085  8 0 "[    .    1    .    2]" 1 
       425 1 101 HIS H    1 115 CYS H        . . 4.000 4.015 3.580 4.255 0.255 20 0 "[    .    1    .    2]" 1 
       426 1 101 HIS H    1 116 ILE MD   3.680 . 3.680 3.348 2.741 3.750 0.070 10 0 "[    .    1    .    2]" 1 
       427 1 101 HIS H    1 117 ASN H    6.000 . 6.000 5.037 4.367 5.409     .  0 0 "[    .    1    .    2]" 1 
       428 1 102 VAL H    1 102 VAL MG1  3.010 . 3.010 2.971 2.801 3.061 0.051  7 0 "[    .    1    .    2]" 1 
       429 1 102 VAL H    1 102 VAL MG2  3.150 . 3.150 2.495 2.347 2.650     .  0 0 "[    .    1    .    2]" 1 
       430 1 102 VAL H    1 103 PHE H    4.520 . 4.520 4.376 4.276 4.464     .  0 0 "[    .    1    .    2]" 1 
       431 1 102 VAL H    1 112 LEU QD   5.410 . 5.410 4.712 4.513 4.926     .  0 0 "[    .    1    .    2]" 1 
       432 1 102 VAL MG1  1 103 PHE H    4.160 . 4.160 3.960 3.864 4.108     .  0 0 "[    .    1    .    2]" 1 
       433 1 102 VAL MG1  1 112 LEU QD   4.130 . 4.130 3.282 2.939 3.596     .  0 0 "[    .    1    .    2]" 1 
       434 1 102 VAL MG1  1 113 ARG H    4.270 . 4.270 4.172 3.902 4.376 0.106  8 0 "[    .    1    .    2]" 1 
       435 1 102 VAL MG1  1 115 CYS H    3.880 . 3.880 2.563 1.963 3.211     .  0 0 "[    .    1    .    2]" 1 
       436 1 102 VAL MG2  1 103 PHE H    3.590 . 3.590 3.613 3.268 3.803 0.213  4 0 "[    .    1    .    2]" 1 
       437 1 102 VAL MG2  1 112 LEU QD       . . 3.050 1.709 1.616 1.827 0.184 17 0 "[    .    1    .    2]" 1 
       438 1 102 VAL MG2  1 113 ARG H    3.750 . 3.750 3.809 3.452 3.970 0.220 14 0 "[    .    1    .    2]" 1 
       439 1 102 VAL MG2  1 114 TYR H    5.710 . 5.710 5.593 5.261 5.826 0.116  1 0 "[    .    1    .    2]" 1 
       440 1 102 VAL MG2  1 115 CYS H    5.290 . 5.290 4.978 4.732 5.277     .  0 0 "[    .    1    .    2]" 1 
       441 1 103 PHE H    1 105 ASP H    4.850 . 4.850 4.660 4.254 4.982 0.132  5 0 "[    .    1    .    2]" 1 
       442 1 103 PHE H    1 106 GLY H    5.890 . 5.890 5.183 4.410 6.099 0.209 15 0 "[    .    1    .    2]" 1 
       443 1 103 PHE H    1 112 LEU QD   4.210 . 4.210 3.992 3.451 4.213 0.003 17 0 "[    .    1    .    2]" 1 
       444 1 103 PHE H    1 113 ARG H    3.370 . 3.370 2.556 2.022 3.122     .  0 0 "[    .    1    .    2]" 1 
       445 1 103 PHE H    1 114 TYR H    5.540 . 5.540 5.213 5.007 5.665 0.125  9 0 "[    .    1    .    2]" 1 
       446 1 103 PHE H    1 115 CYS H    5.200 . 5.200 4.478 3.741 5.047     .  0 0 "[    .    1    .    2]" 1 
       447 1 104 ASN H    1 105 ASP H    3.970 . 3.970 2.752 2.497 3.475     .  0 0 "[    .    1    .    2]" 1 
       448 1 104 ASN H    1 106 GLY H    4.870 . 4.870 4.627 4.241 5.168 0.298 15 0 "[    .    1    .    2]" 1 
       449 1 104 ASN H    1 112 LEU QD   4.440 . 4.440 3.548 3.220 3.799     .  0 0 "[    .    1    .    2]" 1 
       450 1 104 ASN H    1 113 ARG H    5.450 . 5.450 5.062 4.735 5.475 0.025  7 0 "[    .    1    .    2]" 1 
       451 1 104 ASN QD   1 112 LEU QD       . . 3.110 2.411 2.009 3.040     .  0 0 "[    .    1    .    2]" 1 
       452 1 104 ASN HD21 1 112 LEU QD   3.680 . 3.680 2.757 2.029 3.619     .  0 0 "[    .    1    .    2]" 1 
       453 1 104 ASN HD22 1 112 LEU QD   3.680 . 3.680 3.068 2.236 3.790 0.110 16 0 "[    .    1    .    2]" 1 
       454 1 105 ASP H    1 106 GLY H    3.440 . 3.440 2.355 1.805 2.747     .  0 0 "[    .    1    .    2]" 1 
       455 1 105 ASP H    1 112 LEU QD   4.830 . 4.830 4.520 3.204 4.838 0.008 12 0 "[    .    1    .    2]" 1 
       456 1 105 ASP H    1 113 ARG H    5.020 . 5.020 4.740 3.281 5.218 0.198 14 0 "[    .    1    .    2]" 1 
       457 1 106 GLY H    1 112 LEU QD   5.080 . 5.080 4.679 3.409 5.111 0.031  8 0 "[    .    1    .    2]" 1 
       458 1 106 GLY H    1 113 ARG H    4.830 . 4.830 4.252 3.666 4.904 0.074  8 0 "[    .    1    .    2]" 1 
       459 1 108 GLY H    1 111 GLY H    5.040 . 5.040 3.588 2.837 5.129 0.089 15 0 "[    .    1    .    2]" 1 
       460 1 108 GLY H    1 112 LEU H    5.220 . 5.220 4.494 3.266 5.295 0.075 15 0 "[    .    1    .    2]" 1 
       461 1 110 ASN H    1 111 GLY H    4.310 . 4.310 2.320 2.070 2.884     .  0 0 "[    .    1    .    2]" 1 
       462 1 110 ASN QD   1 112 LEU H    5.240 . 5.240 3.685 2.359 4.909     .  0 0 "[    .    1    .    2]" 1 
       463 1 110 ASN QD   1 112 LEU QD   3.580 . 3.580 2.231 1.753 3.938 0.358 15 0 "[    .    1    .    2]" 1 
       464 1 110 ASN HD21 1 112 LEU H    6.000 . 6.000 4.083 2.374 5.146     .  0 0 "[    .    1    .    2]" 1 
       465 1 110 ASN HD21 1 112 LEU QD   4.080 . 4.080 2.422 1.769 4.111 0.031  4 0 "[    .    1    .    2]" 1 
       466 1 110 ASN HD22 1 112 LEU H    6.000 . 6.000 4.601 2.995 6.201 0.201  4 0 "[    .    1    .    2]" 1 
       467 1 110 ASN HD22 1 112 LEU QD   4.080 . 4.080 2.855 1.891 5.041 0.961 15 1 "[    .    1    +    2]" 1 
       468 1 111 GLY H    1 112 LEU H    3.790 . 3.790 2.422 2.106 2.952     .  0 0 "[    .    1    .    2]" 1 
       469 1 111 GLY H    1 112 LEU QD   5.620 . 5.620 4.773 2.834 5.197     .  0 0 "[    .    1    .    2]" 1 
       470 1 112 LEU H    1 112 LEU QD       . . 4.110 3.439 1.923 3.594     .  0 0 "[    .    1    .    2]" 1 
       471 1 112 LEU H    1 113 ARG H    5.380 . 5.380 4.489 4.446 4.557     .  0 0 "[    .    1    .    2]" 1 
       472 1 112 LEU QD   1 113 ARG H        . . 3.510 3.283 3.143 3.548 0.038 15 0 "[    .    1    .    2]" 1 
       473 1 113 ARG H    1 114 TYR H    4.780 . 4.780 4.095 3.935 4.290     .  0 0 "[    .    1    .    2]" 1 
       474 1 114 TYR H    1 115 CYS H    4.760 . 4.760 4.299 4.098 4.566     .  0 0 "[    .    1    .    2]" 1 
       475 1 115 CYS H    1 116 ILE H    4.740 . 4.740 4.044 3.850 4.206     .  0 0 "[    .    1    .    2]" 1 
       476 1 115 CYS H    1 116 ILE MD   3.490 . 3.490 3.491 3.207 3.609 0.119 11 0 "[    .    1    .    2]" 1 
       477 1 116 ILE H    1 116 ILE MD   3.730 . 3.730 3.438 3.132 3.718     .  0 0 "[    .    1    .    2]" 1 
       478 1 116 ILE H    1 121 LEU MD1  4.860 . 4.860 4.360 3.415 4.832     .  0 0 "[    .    1    .    2]" 1 
       479 1 116 ILE MD   1 117 ASN H    4.200 . 4.200 3.887 3.479 4.184     .  0 0 "[    .    1    .    2]" 1 
       480 1 116 ILE MD   1 121 LEU MD2  4.970 . 4.970 4.209 3.958 4.433     .  0 0 "[    .    1    .    2]" 1 
       481 1 117 ASN H    1 117 ASN HD21 3.840 . 3.840 2.246 1.909 3.387     .  0 0 "[    .    1    .    2]" 1 
       482 1 117 ASN H    1 117 ASN QD   3.340 . 3.340 2.200 1.896 3.184     .  0 0 "[    .    1    .    2]" 1 
       483 1 117 ASN H    1 117 ASN HD22 3.840 . 3.840 3.308 2.834 3.970 0.130 18 0 "[    .    1    .    2]" 1 
       484 1 117 ASN H    1 121 LEU MD1  4.480 . 4.480 4.330 3.942 4.587 0.107 16 0 "[    .    1    .    2]" 1 
       485 1 117 ASN H    1 121 LEU MD2  4.520 . 4.520 4.484 4.110 4.680 0.160  8 0 "[    .    1    .    2]" 1 
       486 1 118 SER H    1 119 ALA H    3.710 . 3.710 2.679 2.463 2.896     .  0 0 "[    .    1    .    2]" 1 
       487 1 118 SER H    1 120 ALA H    4.780 . 4.780 4.258 4.029 4.422     .  0 0 "[    .    1    .    2]" 1 
       488 1 118 SER HG   1 119 ALA H    4.790 . 4.790 4.212 3.145 4.885 0.095  2 0 "[    .    1    .    2]" 1 
       489 1 119 ALA H    1 120 ALA H    3.850 . 3.850 2.609 2.492 2.752     .  0 0 "[    .    1    .    2]" 1 
       490 1 119 ALA H    1 121 LEU H    4.280 . 4.280 4.105 3.858 4.342 0.062 18 0 "[    .    1    .    2]" 1 
       491 1 120 ALA H    1 121 LEU H    3.240 . 3.240 2.473 2.025 2.742     .  0 0 "[    .    1    .    2]" 1 
       492 1 120 ALA H    1 121 LEU MD1  4.590 . 4.590 4.713 4.227 4.904 0.314  7 0 "[    .    1    .    2]" 1 
       493 1 120 ALA H    1 121 LEU MD2  4.280 . 4.280 4.435 4.216 4.646 0.366 19 0 "[    .    1    .    2]" 1 
       494 1 121 LEU H    1 121 LEU MD1  4.230 . 4.230 3.911 3.672 4.246 0.016 19 0 "[    .    1    .    2]" 1 
       495 1 121 LEU H    1 121 LEU MD2  3.710 . 3.710 3.451 3.240 3.899 0.189 18 0 "[    .    1    .    2]" 1 
       496 1 121 LEU H    1 122 ARG H    4.560 . 4.560 4.491 4.424 4.537     .  0 0 "[    .    1    .    2]" 1 
       497 1 121 LEU MD1  1 122 ARG H    4.450 . 4.450 4.577 4.355 4.731 0.281  6 0 "[    .    1    .    2]" 1 
       498 1 121 LEU MD2  1 122 ARG H    3.690 . 3.690 3.363 3.046 3.664     .  0 0 "[    .    1    .    2]" 1 
       499 1 122 ARG H    1 123 PHE H    4.550 . 4.550 4.080 3.851 4.262     .  0 0 "[    .    1    .    2]" 1 
       500 1 122 ARG H    1 124 VAL MG2  5.970 . 5.970 4.579 4.024 4.944     .  0 0 "[    .    1    .    2]" 1 
       501 1 123 PHE H    1 124 VAL H    4.530 . 4.530 4.476 4.344 4.588 0.058 13 0 "[    .    1    .    2]" 1 
       502 1 123 PHE H    1 124 VAL MG2  4.280 . 4.280 4.333 3.841 4.639 0.359 11 0 "[    .    1    .    2]" 1 
       503 1 124 VAL H    1 124 VAL MG1  4.000 . 4.000 3.960 3.907 4.023 0.023 13 0 "[    .    1    .    2]" 1 
       504 1 124 VAL H    1 124 VAL MG2  2.800 . 2.800 2.602 2.426 2.723     .  0 0 "[    .    1    .    2]" 1 
       505 1 124 VAL H    1 129 LEU MD1  5.230 . 5.230 5.067 4.435 5.354 0.124  8 0 "[    .    1    .    2]" 1 
       506 1 124 VAL H    1 129 LEU MD2  4.340 . 4.340 4.154 3.820 4.409 0.069 18 0 "[    .    1    .    2]" 1 
       507 1 124 VAL MG1  1 127 HIS H    5.580 . 5.580 5.556 5.144 5.749 0.169 11 0 "[    .    1    .    2]" 1 
       508 1 124 VAL MG1  1 128 LYS H    4.020 . 4.020 3.900 3.647 4.075 0.055  1 0 "[    .    1    .    2]" 1 
       509 1 124 VAL MG1  1 129 LEU H    3.570 . 3.570 3.221 2.807 3.567     .  0 0 "[    .    1    .    2]" 1 
       510 1 124 VAL MG1  1 129 LEU MD1  4.100 . 4.100 3.929 3.757 4.125 0.025  6 0 "[    .    1    .    2]" 1 
       511 1 124 VAL MG1  1 129 LEU MD2  2.810 . 2.810 2.068 1.961 2.166     .  0 0 "[    .    1    .    2]" 1 
       512 1 124 VAL MG1  1 131 GLU H    5.610 . 5.610 5.382 4.816 5.715 0.105 11 0 "[    .    1    .    2]" 1 
       513 1 124 VAL MG1  1 132 GLU H    4.880 . 4.880 4.500 3.853 5.003 0.123 11 0 "[    .    1    .    2]" 1 
       514 1 124 VAL MG1  1 138 LEU MD1  6.000 . 6.000 5.282 5.093 5.486     .  0 0 "[    .    1    .    2]" 1 
       515 1 124 VAL MG2  1 129 LEU MD2  4.760 . 4.760 3.243 2.971 3.490     .  0 0 "[    .    1    .    2]" 1 
       516 1 126 LYS H    1 127 HIS H    3.690 . 3.690 2.826 2.628 3.034     .  0 0 "[    .    1    .    2]" 1 
       517 1 126 LYS H    1 128 LYS H    4.470 . 4.470 4.258 4.032 4.454     .  0 0 "[    .    1    .    2]" 1 
       518 1 126 LYS H    1 129 LEU H    4.790 . 4.790 4.732 4.589 4.920 0.130 15 0 "[    .    1    .    2]" 1 
       519 1 126 LYS H    1 129 LEU MD1  3.820 . 3.820 3.607 3.177 3.935 0.115  8 0 "[    .    1    .    2]" 1 
       520 1 126 LYS H    1 129 LEU MD2  5.330 . 5.330 5.289 4.996 5.464 0.134  2 0 "[    .    1    .    2]" 1 
       521 1 127 HIS H    1 128 LYS H    3.750 . 3.750 2.499 2.317 2.664     .  0 0 "[    .    1    .    2]" 1 
       522 1 127 HIS H    1 129 LEU H    3.830 . 3.830 3.813 3.537 4.063 0.233  3 0 "[    .    1    .    2]" 1 
       523 1 127 HIS H    1 129 LEU MD1  4.830 . 4.830 4.780 4.619 4.905 0.075 11 0 "[    .    1    .    2]" 1 
       524 1 127 HIS H    1 129 LEU MD2  6.000 . 6.000 6.025 5.914 6.145 0.145 18 0 "[    .    1    .    2]" 1 
       525 1 128 LYS H    1 129 LEU H    3.030 . 3.030 2.218 2.091 2.340     .  0 0 "[    .    1    .    2]" 1 
       526 1 128 LYS H    1 129 LEU MD1  4.730 . 4.730 4.864 4.772 4.963 0.233 16 0 "[    .    1    .    2]" 1 
       527 1 128 LYS H    1 129 LEU MD2  4.840 . 4.840 4.970 4.835 5.084 0.244  2 0 "[    .    1    .    2]" 1 
       528 1 128 LYS H    1 130 LYS H    4.290 . 4.290 4.172 3.879 4.471 0.181  3 0 "[    .    1    .    2]" 1 
       529 1 129 LEU H    1 129 LEU MD1  3.830 . 3.830 3.666 3.577 3.759     .  0 0 "[    .    1    .    2]" 1 
       530 1 129 LEU H    1 129 LEU MD2  3.760 . 3.760 3.496 3.363 3.658     .  0 0 "[    .    1    .    2]" 1 
       531 1 129 LEU H    1 130 LYS H    2.790 . 2.790 2.686 2.489 2.844 0.054 17 0 "[    .    1    .    2]" 1 
       532 1 129 LEU H    1 131 GLU H    4.410 . 4.410 4.097 3.847 4.370     .  0 0 "[    .    1    .    2]" 1 
       533 1 129 LEU H    1 132 GLU H    5.100 . 5.100 4.663 4.452 4.949     .  0 0 "[    .    1    .    2]" 1 
       534 1 129 LEU H    1 138 LEU MD1  4.320 . 4.320 4.217 3.943 4.457 0.137  4 0 "[    .    1    .    2]" 1 
       535 1 129 LEU H    1 138 LEU MD2  5.170 . 5.170 5.145 4.703 5.499 0.329 16 0 "[    .    1    .    2]" 1 
       536 1 129 LEU MD1  1 130 LYS H    4.710 . 4.710 4.635 4.365 4.764 0.054 20 0 "[    .    1    .    2]" 1 
       537 1 129 LEU MD1  1 134 TYR H    5.730 . 5.730 5.777 5.421 5.982 0.252 17 0 "[    .    1    .    2]" 1 
       538 1 129 LEU MD1  1 137 TYR H    5.240 . 5.240 4.630 3.437 5.354 0.114 11 0 "[    .    1    .    2]" 1 
       539 1 129 LEU MD1  1 138 LEU H    3.910 . 3.910 3.894 3.546 4.097 0.187  9 0 "[    .    1    .    2]" 1 
       540 1 129 LEU MD1  1 138 LEU MD1  3.520 . 3.520 2.087 1.904 2.251     .  0 0 "[    .    1    .    2]" 1 
       541 1 129 LEU MD1  1 138 LEU MD2  3.730 . 3.730 3.907 3.655 4.016 0.286 16 0 "[    .    1    .    2]" 1 
       542 1 129 LEU MD2  1 130 LYS H    4.900 . 4.900 4.746 4.651 4.824     .  0 0 "[    .    1    .    2]" 1 
       543 1 129 LEU MD2  1 131 GLU H    5.600 . 5.600 5.630 5.365 5.860 0.260 17 0 "[    .    1    .    2]" 1 
       544 1 129 LEU MD2  1 132 GLU H    4.940 . 4.940 4.679 4.206 5.192 0.252  2 0 "[    .    1    .    2]" 1 
       545 1 129 LEU MD2  1 134 TYR H    5.240 . 5.240 4.853 4.044 5.409 0.169  6 0 "[    .    1    .    2]" 1 
       546 1 129 LEU MD2  1 137 TYR H    5.010 . 5.010 4.618 3.521 5.143 0.133 14 0 "[    .    1    .    2]" 1 
       547 1 129 LEU MD2  1 138 LEU H    5.010 . 5.010 4.934 4.659 5.191 0.181  8 0 "[    .    1    .    2]" 1 
       548 1 129 LEU MD2  1 138 LEU MD1  4.080 . 4.080 3.409 3.093 3.626     .  0 0 "[    .    1    .    2]" 1 
       549 1 129 LEU MD2  1 138 LEU MD2  5.510 . 5.510 5.285 4.928 5.533 0.023  6 0 "[    .    1    .    2]" 1 
       550 1 130 LYS H    1 131 GLU H    3.180 . 3.180 2.625 2.292 2.898     .  0 0 "[    .    1    .    2]" 1 
       551 1 130 LYS H    1 132 GLU H    4.060 . 4.060 4.003 3.804 4.177 0.117  2 0 "[    .    1    .    2]" 1 
       552 1 130 LYS H    1 133 GLY H    5.230 . 5.230 5.048 4.791 5.259 0.029 15 0 "[    .    1    .    2]" 1 
       553 1 130 LYS H    1 134 TYR H    4.630 . 4.630 4.663 4.323 4.908 0.278 10 0 "[    .    1    .    2]" 1 
       554 1 130 LYS H    1 138 LEU MD1  3.850 . 3.850 3.666 3.037 4.059 0.209  4 0 "[    .    1    .    2]" 1 
       555 1 130 LYS H    1 138 LEU MD2  4.080 . 4.080 3.839 2.980 4.297 0.217 11 0 "[    .    1    .    2]" 1 
       556 1 131 GLU H    1 132 GLU H    3.210 . 3.210 2.472 2.200 2.751     .  0 0 "[    .    1    .    2]" 1 
       557 1 131 GLU H    1 133 GLY H    3.980 . 3.980 3.998 3.817 4.162 0.182 15 0 "[    .    1    .    2]" 1 
       558 1 131 GLU H    1 134 TYR H    4.830 . 4.830 4.824 4.650 5.037 0.207  8 0 "[    .    1    .    2]" 1 
       559 1 132 GLU H    1 133 GLY H    3.340 . 3.340 2.612 2.403 2.883     .  0 0 "[    .    1    .    2]" 1 
       560 1 132 GLU H    1 134 TYR H    3.900 . 3.900 3.907 3.650 4.121 0.221 20 0 "[    .    1    .    2]" 1 
       561 1 132 GLU H    1 138 LEU MD1  6.000 . 6.000 5.791 5.515 6.106 0.106  8 0 "[    .    1    .    2]" 1 
       562 1 133 GLY H    1 134 TYR H    3.270 . 3.270 2.355 1.975 2.783     .  0 0 "[    .    1    .    2]" 1 
       563 1 133 GLY H    1 135 GLU H    4.930 . 4.930 4.839 4.184 5.166 0.236  5 0 "[    .    1    .    2]" 1 
       564 1 134 TYR H    1 135 GLU H    3.380 . 3.380 3.162 2.536 3.685 0.305  5 0 "[    .    1    .    2]" 1 
       565 1 134 TYR H    1 138 LEU MD1  4.330 . 4.330 4.041 3.755 4.464 0.134  8 0 "[    .    1    .    2]" 1 
       566 1 134 TYR H    1 138 LEU MD2  5.100 . 5.100 4.995 4.548 5.420 0.320 14 0 "[    .    1    .    2]" 1 
       567 1 135 GLU H    1 137 TYR H    4.990 . 4.990 4.406 3.675 4.861     .  0 0 "[    .    1    .    2]" 1 
       568 1 135 GLU H    1 138 LEU H    5.120 . 5.120 5.009 4.723 5.292 0.172 14 0 "[    .    1    .    2]" 1 
       569 1 135 GLU H    1 138 LEU MD1  4.710 . 4.710 4.458 3.710 4.855 0.145  1 0 "[    .    1    .    2]" 1 
       570 1 135 GLU H    1 138 LEU MD2  5.320 . 5.320 5.204 4.394 5.607 0.287 13 0 "[    .    1    .    2]" 1 
       571 1 137 TYR H    1 138 LEU H    3.300 . 3.300 2.533 2.163 3.060     .  0 0 "[    .    1    .    2]" 1 
       572 1 137 TYR H    1 138 LEU MD1  4.380 . 4.380 3.483 2.709 4.077     .  0 0 "[    .    1    .    2]" 1 
       573 1 138 LEU H    1 138 LEU MD1  3.460 . 3.460 2.023 1.800 2.245 0.000  4 0 "[    .    1    .    2]" 1 
       574 1 138 LEU H    1 138 LEU MD2  3.960 . 3.960 3.877 3.742 3.982 0.022 18 0 "[    .    1    .    2]" 1 
       575 1 138 LEU H    1 140 LEU H    4.930 . 4.930 4.231 3.932 4.610     .  0 0 "[    .    1    .    2]" 1 
       576 1 138 LEU MD1  1 140 LEU H    6.000 . 6.000 5.333 4.992 5.707     .  0 0 "[    .    1    .    2]" 1 
       577 1 138 LEU MD1  1 141 PHE H    6.000 . 6.000 5.206 4.348 5.817     .  0 0 "[    .    1    .    2]" 1 
       578 1 140 LEU H    1 140 LEU MD1  3.770 . 3.770 3.676 3.496 3.851 0.081 13 0 "[    .    1    .    2]" 1 
       579 1 140 LEU H    1 140 LEU MD2  3.630 . 3.630 3.445 3.244 3.687 0.057  6 0 "[    .    1    .    2]" 1 
       580 1 140 LEU H    1 141 PHE H    3.330 . 3.330 2.586 2.190 2.893     .  0 0 "[    .    1    .    2]" 1 
       581 1 140 LEU H    1 142 ASN H    4.070 . 4.070 3.916 3.591 4.150 0.080 14 0 "[    .    1    .    2]" 1 
       582 1 140 LEU MD1  1 141 PHE H    4.370 . 4.370 4.442 4.284 4.588 0.218 16 0 "[    .    1    .    2]" 1 
       583 1 140 LEU MD2  1 141 PHE H    4.760 . 4.760 4.683 4.598 4.744     .  0 0 "[    .    1    .    2]" 1 
       584 1 141 PHE H    1 142 ASN H    3.960 . 3.960 2.538 2.117 2.836     .  0 0 "[    .    1    .    2]" 1 
       585 1 142 ASN H    1 142 ASN QD   4.690 . 4.690 4.350 1.869 4.870 0.180  2 0 "[    .    1    .    2]" 1 
       586 1 142 ASN QD   1 144 LEU QD   3.950 . 3.950 3.132 1.791 4.142 0.192  3 0 "[    .    1    .    2]" 1 
       587 1 144 LEU H    1 144 LEU QD   4.560 . 4.560 3.170 2.008 4.172     .  0 0 "[    .    1    .    2]" 1 
       588 1 144 LEU H    1 145 GLU H    4.880 . 4.880 4.165 2.873 4.637     .  0 0 "[    .    1    .    2]" 1 
       589 1 144 LEU QD   1 145 GLU H    3.980 . 3.980 3.102 2.256 4.069 0.089  1 0 "[    .    1    .    2]" 1 
       590 1 144 LEU MD1  1 145 GLU H    4.720 . 4.720 3.396 2.263 4.861 0.141  9 0 "[    .    1    .    2]" 1 
       591 1 144 LEU MD2  1 145 GLU H    4.720 . 4.720 4.164 2.689 4.784 0.064 15 0 "[    .    1    .    2]" 1 
    stop_

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