NMR Restraints Grid

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

image mrblock_id pdb_id cing in_recoord stage program type subtype subsubtype
469901 1aj3 cing recoord 4-filtered-FRED Wattos check violation distance


data_1aj3


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              678
    _Distance_constraint_stats_list.Viol_count                    1391
    _Distance_constraint_stats_list.Viol_total                    2733.806
    _Distance_constraint_stats_list.Viol_max                      1.584
    _Distance_constraint_stats_list.Viol_rms                      0.0616
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0101
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0983
    _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  10 HIS  1.287 0.118  4 0 "[    .    1    .    2]" 
       1  11 GLN  3.021 0.977 17 2 "[   -.    1    . +  2]" 
       1  12 PHE 15.730 1.584  6 7 "[*-  *+   1  * *    *]" 
       1  13 PHE  4.559 0.827  7 1 "[    . +  1    .    2]" 
       1  14 ARG  0.525 0.094 11 0 "[    .    1    .    2]" 
       1  15 ASP  6.675 0.977 17 5 "[-  *.    1    * +  *]" 
       1  16 MET  3.272 0.827  7 1 "[    . +  1    .    2]" 
       1  17 ASP  1.273 0.166 11 0 "[    .    1    .    2]" 
       1  18 ASP  4.742 0.826 15 3 "[*   .    1 -  +    2]" 
       1  19 GLU  3.229 0.523 20 1 "[    .    1    .    +]" 
       1  20 GLU  7.833 0.523 20 1 "[    .    1    .    +]" 
       1  21 SER  3.043 0.666 12 2 "[    .    1 +  .  - 2]" 
       1  22 TRP 13.406 0.577  4 1 "[   +.    1    .    2]" 
       1  23 ILE  2.436 0.198 12 0 "[    .    1    .    2]" 
       1  24 LYS  3.949 0.868 11 3 "[    .    1+   .  - *]" 
       1  25 GLU  2.302 0.493 11 0 "[    .    1    .    2]" 
       1  26 LYS  4.982 0.468 15 0 "[    .    1    .    2]" 
       1  27 LYS  3.502 0.868 11 2 "[    .    1+   .    -]" 
       1  28 LEU  1.295 0.247  6 0 "[    .    1    .    2]" 
       1  29 LEU  0.085 0.032 16 0 "[    .    1    .    2]" 
       1  30 VAL  0.758 0.247  6 0 "[    .    1    .    2]" 
       1  31 SER  0.273 0.071  2 0 "[    .    1    .    2]" 
       1  32 SER  0.232 0.071  2 0 "[    .    1    .    2]" 
       1  33 GLU  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  34 ASP  0.168 0.071  2 0 "[    .    1    .    2]" 
       1  35 TYR  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  36 GLY  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  37 ARG  1.087 0.162  5 0 "[    .    1    .    2]" 
       1  38 ASP  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  39 LEU  1.068 0.400  8 0 "[    .    1    .    2]" 
       1  40 THR  1.648 0.162  5 0 "[    .    1    .    2]" 
       1  41 GLY  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  42 VAL  0.936 0.096  8 0 "[    .    1    .    2]" 
       1  43 GLN  0.430 0.094  6 0 "[    .    1    .    2]" 
       1  44 ASN  7.995 0.984  6 9 "[ - *.+   *** *.  * *]" 
       1  45 LEU  1.406 0.371  7 0 "[    .    1    .    2]" 
       1  46 ARG  5.763 0.950 11 4 "[    .-*  1+   *    2]" 
       1  47 LYS  8.264 0.984  6 9 "[ - *.+   *** *.  * *]" 
       1  48 LYS  1.395 0.371  7 0 "[    .    1    .    2]" 
       1  49 HIS  8.340 0.950 11 8 "[ -*****  1+   *    2]" 
       1  50 LYS  5.045 0.950 11 3 "[    .-*  1+   .    2]" 
       1  51 ARG  1.657 0.357  7 0 "[    .    1    .    2]" 
       1  52 LEU  5.755 0.822  4 5 "[ -*+*    1 *  .    2]" 
       1  53 GLU  1.795 0.113  5 0 "[    .    1    .    2]" 
       1  54 ALA  1.152 0.079  3 0 "[    .    1    .    2]" 
       1  55 GLU  2.660 0.822  4 2 "[   +.    1 -  .    2]" 
       1  56 LEU  6.844 0.954  9 3 "[    . - +1    .   *2]" 
       1  57 ALA  4.702 0.737 19 3 "[    .    1  - .  *+2]" 
       1  58 ALA  3.670 0.221 18 0 "[    .    1    .    2]" 
       1  59 HIS 14.880 0.954  9 3 "[    . - +1    .   *2]" 
       1  60 GLU  1.977 0.737 19 3 "[    .    1  - .  *+2]" 
       1  61 PRO  1.906 0.163 20 0 "[    .    1    .    2]" 
       1  62 ALA  0.172 0.088 19 0 "[    .    1    .    2]" 
       1  63 ILE 11.163 0.577  4 1 "[   +.    1    .    2]" 
       1  64 GLN  2.044 0.826 14 1 "[    .    1   +.    2]" 
       1  65 GLY  0.172 0.088 19 0 "[    .    1    .    2]" 
       1  66 VAL  5.332 0.243  8 0 "[    .    1    .    2]" 
       1  67 LEU  2.231 0.826 14 1 "[    .    1   +.    2]" 
       1  68 ASP  1.901 0.640  9 1 "[    .   +1    .    2]" 
       1  69 THR  0.891 0.103 14 0 "[    .    1    .    2]" 
       1  70 GLY  2.066 0.389 17 0 "[    .    1    .    2]" 
       1  71 LYS  2.631 0.640  9 2 "[    .   +1    . -  2]" 
       1  72 LYS  0.107 0.034 17 0 "[    .    1    .    2]" 
       1  73 LEU 14.723 1.584  6 6 "[*-  *+   1  * *    2]" 
       1  74 SER  0.730 0.510 17 1 "[    .    1    . +  2]" 
       1  75 ASP  0.171 0.037 13 0 "[    .    1    .    2]" 
       1  76 ASP  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  77 ASN  0.064 0.037 13 0 "[    .    1    .    2]" 
       1  78 THR  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  79 ILE  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  80 GLY  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  81 LYS  0.332 0.079 11 0 "[    .    1    .    2]" 
       1  82 GLU  3.738 0.776  4 5 "[   +.   *1 -  *  * 2]" 
       1  83 GLU  0.163 0.029 17 0 "[    .    1    .    2]" 
       1  84 ILE  0.562 0.079 11 0 "[    .    1    .    2]" 
       1  85 GLN  4.834 0.776  4 6 "[ * +.   *1 -  *  * 2]" 
       1  86 GLN  0.576 0.077 16 0 "[    .    1    .    2]" 
       1  87 ARG  0.807 0.561 16 1 "[    .    1    .+   2]" 
       1  88 LEU  1.095 0.589  2 1 "[ +  .    1    .    2]" 
       1  89 ALA  0.992 0.077 16 0 "[    .    1    .    2]" 
       1  90 GLN  0.860 0.561 16 1 "[    .    1    .+   2]" 
       1  91 PHE  8.632 0.259 11 0 "[    .    1    .    2]" 
       1  92 VAL  1.241 0.135 18 0 "[    .    1    .    2]" 
       1  93 ASP  3.415 0.975  4 3 "[   +.   -1   *.    2]" 
       1  94 HIS  4.523 0.174 11 0 "[    .    1    .    2]" 
       1  95 TRP  5.575 0.358  8 0 "[    .    1    .    2]" 
       1  96 LYS  7.026 0.975  4 4 "[   +.   *1   *. -  2]" 
       1  97 GLU  2.432 0.763  1 1 "[+   .    1    .    2]" 
       1  98 LEU  1.024 0.229  3 0 "[    .    1    .    2]" 
       1  99 LYS  2.621 0.512 17 1 "[    .    1    . +  2]" 
       1 100 GLN  1.163 0.763  1 1 "[+   .    1    .    2]" 
       1 101 LEU  0.854 0.077 14 0 "[    .    1    .    2]" 
       1 102 ALA  0.844 0.355 19 0 "[    .    1    .    2]" 
       1 103 ALA  0.325 0.041  3 0 "[    .    1    .    2]" 
       1 104 ALA  0.421 0.071  8 0 "[    .    1    .    2]" 
       1 105 ARG  0.532 0.355 19 0 "[    .    1    .    2]" 
       1 106 GLY  0.173 0.041  3 0 "[    .    1    .    2]" 
       1 107 GLN  0.197 0.071  8 0 "[    .    1    .    2]" 
    stop_

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

         1 1  10 HIS HA  1  13 PHE H    3.400     . 3.550 3.586 3.259 3.668 0.118  4 0 "[    .    1    .    2]" 1 
         2 1  10 HIS HA  1  13 PHE HB2  3.500     . 3.650 3.180 2.751 3.709 0.059 10 0 "[    .    1    .    2]" 1 
         3 1  10 HIS O   1  14 ARG H    2.700     . 2.850 2.447 1.937 2.801     .  0 0 "[    .    1    .    2]" 1 
         4 1  10 HIS O   1  14 ARG N    3.700     . 3.850 3.388 2.906 3.747     .  0 0 "[    .    1    .    2]" 1 
         5 1  11 GLN H   1  11 GLN HA   2.400     . 3.800 2.269 2.253 2.287     .  0 0 "[    .    1    .    2]" 1 
         6 1  11 GLN H   1  11 GLN HB2  2.200     . 3.300 2.334 2.028 3.105     .  0 0 "[    .    1    .    2]" 1 
         7 1  11 GLN H   1  11 GLN HB3  2.300     . 3.500 2.265 1.948 2.576     .  0 0 "[    .    1    .    2]" 1 
         8 1  11 GLN HA  1  14 ARG H    3.400     . 3.550 3.386 3.243 3.558 0.008  9 0 "[    .    1    .    2]" 1 
         9 1  11 GLN HA  1  14 ARG HB3  3.500     . 3.650 3.212 2.508 3.744 0.094 11 0 "[    .    1    .    2]" 1 
        10 1  11 GLN QB  1  15 ASP H    2.600     . 4.400 4.424 4.111 4.576 0.176 16 0 "[    .    1    .    2]" 1 
        11 1  11 GLN HB3 1  15 ASP H    2.800     . 5.000 4.758 4.304 5.977 0.977 17 2 "[   -.    1    . +  2]" 1 
        12 1  11 GLN O   1  15 ASP H    2.700     . 2.850 1.877 1.743 2.204     .  0 0 "[    .    1    .    2]" 1 
        13 1  11 GLN O   1  15 ASP N    3.700     . 3.850 2.846 2.708 3.151     .  0 0 "[    .    1    .    2]" 1 
        14 1  12 PHE H   1  12 PHE HA   2.500     . 4.100 2.464 2.445 2.489     .  0 0 "[    .    1    .    2]" 1 
        15 1  12 PHE H   1  12 PHE HB2  2.500     . 4.100 2.474 2.111 2.713     .  0 0 "[    .    1    .    2]" 1 
        16 1  12 PHE H   1  12 PHE HB3  2.300     . 3.500 2.094 1.984 2.249     .  0 0 "[    .    1    .    2]" 1 
        17 1  12 PHE H   1  12 PHE QD   2.800     . 5.000 3.194 2.517 3.782     .  0 0 "[    .    1    .    2]" 1 
        18 1  12 PHE HA  1  15 ASP H    3.400     . 3.550 3.343 2.908 3.567 0.017 15 0 "[    .    1    .    2]" 1 
        19 1  12 PHE HA  1  15 ASP HB2  3.500     . 3.650 2.753 2.272 4.529 0.879 20 1 "[    .    1    .    +]" 1 
        20 1  12 PHE QD  1  66 VAL CB   5.000 2.500 5.150 5.118 4.784 5.393 0.243  8 0 "[    .    1    .    2]" 1 
        21 1  12 PHE QD  1  70 GLY H    5.000 2.500 5.150 4.123 3.240 4.759     .  0 0 "[    .    1    .    2]" 1 
        22 1  12 PHE QD  1  73 LEU CD1  4.000     . 4.150 3.587 2.754 4.999 0.849  6 2 "[    -+   1    .    2]" 1 
        23 1  12 PHE QD  1  73 LEU CD2  5.000 2.500 5.150 4.145 2.666 5.153 0.003  3 0 "[    .    1    .    2]" 1 
        24 1  12 PHE QD  1  84 ILE MD   5.000 2.500 5.150 3.683 2.454 4.675 0.046  1 0 "[    .    1    .    2]" 1 
        25 1  12 PHE QE  1  66 VAL CB   4.000     . 4.150 3.632 3.486 3.831     .  0 0 "[    .    1    .    2]" 1 
        26 1  12 PHE QE  1  70 GLY H    4.000     . 4.150 2.786 2.390 3.328     .  0 0 "[    .    1    .    2]" 1 
        27 1  12 PHE QE  1  73 LEU CD1  4.000     . 4.150 4.172 3.294 5.681 1.531  6 5 "[*   *+   1  - *    2]" 1 
        28 1  12 PHE QE  1  84 ILE MD   4.000     . 4.150 3.092 2.010 4.129     .  0 0 "[    .    1    .    2]" 1 
        29 1  12 PHE HZ  1  66 VAL CB   5.000 2.500 5.150 5.122 4.452 5.231 0.081  9 0 "[    .    1    .    2]" 1 
        30 1  12 PHE HZ  1  70 GLY H    5.000 2.500 5.150 3.762 3.080 4.486     .  0 0 "[    .    1    .    2]" 1 
        31 1  12 PHE HZ  1  73 LEU CD1  5.000 2.500 5.150 5.440 4.800 6.734 1.584  6 6 "[*-  *+   1  * *    2]" 1 
        32 1  12 PHE HZ  1  84 ILE MD   5.000 2.500 5.150 4.769 3.720 5.186 0.036 20 0 "[    .    1    .    2]" 1 
        33 1  12 PHE O   1  16 MET H    2.700     . 2.850 1.785 1.701 1.889     .  0 0 "[    .    1    .    2]" 1 
        34 1  12 PHE O   1  16 MET N    3.700     . 3.850 2.741 2.615 2.863     .  0 0 "[    .    1    .    2]" 1 
        35 1  13 PHE H   1  13 PHE QD   2.800     . 5.000 3.551 2.218 4.191     .  0 0 "[    .    1    .    2]" 1 
        36 1  13 PHE HA  1  14 ARG H    2.500     . 4.100 2.618 2.592 2.635     .  0 0 "[    .    1    .    2]" 1 
        37 1  13 PHE HA  1  17 ASP H    2.600     . 4.400 3.082 3.006 3.127     .  0 0 "[    .    1    .    2]" 1 
        38 1  13 PHE HA  1  16 MET H    3.400     . 3.550 3.589 3.332 3.697 0.147 20 0 "[    .    1    .    2]" 1 
        39 1  13 PHE HA  1  16 MET HB3  3.500     . 3.650 3.619 3.091 4.477 0.827  7 1 "[    . +  1    .    2]" 1 
        40 1  13 PHE O   1  17 ASP H    2.700     . 2.850 2.027 1.852 2.264     .  0 0 "[    .    1    .    2]" 1 
        41 1  13 PHE O   1  17 ASP N    3.700     . 3.850 3.000 2.825 3.229     .  0 0 "[    .    1    .    2]" 1 
        42 1  14 ARG HA  1  17 ASP H    3.400     . 3.550 3.545 3.352 3.628 0.078  9 0 "[    .    1    .    2]" 1 
        43 1  14 ARG HA  1  17 ASP QB   3.500     . 3.650 2.928 2.591 3.571     .  0 0 "[    .    1    .    2]" 1 
        44 1  14 ARG O   1  18 ASP H    2.700     . 2.850 1.845 1.763 2.029     .  0 0 "[    .    1    .    2]" 1 
        45 1  14 ARG O   1  18 ASP N    3.700     . 3.850 2.809 2.696 3.007     .  0 0 "[    .    1    .    2]" 1 
        46 1  15 ASP H   1  15 ASP HA   2.500     . 4.100 2.765 2.745 2.803     .  0 0 "[    .    1    .    2]" 1 
        47 1  15 ASP H   1  15 ASP HB2  2.700     . 4.700 2.736 2.072 3.623     .  0 0 "[    .    1    .    2]" 1 
        48 1  15 ASP H   1  15 ASP HB3  2.500     . 4.100 3.427 2.177 3.619     .  0 0 "[    .    1    .    2]" 1 
        49 1  15 ASP HA  1  18 ASP H    3.400     . 3.550 3.540 3.331 3.625 0.075  9 0 "[    .    1    .    2]" 1 
        50 1  15 ASP HA  1  18 ASP HB3  3.500     . 3.650 3.513 2.407 4.476 0.826 15 2 "[-   .    1    +    2]" 1 
        51 1  15 ASP HB2 1  16 MET H    2.900     . 5.300 2.623 2.324 4.082     .  0 0 "[    .    1    .    2]" 1 
        52 1  15 ASP HB3 1  16 MET H    2.700     . 4.700 3.711 2.961 4.085     .  0 0 "[    .    1    .    2]" 1 
        53 1  15 ASP O   1  19 GLU N    3.700     . 3.850 2.898 2.729 3.114     .  0 0 "[    .    1    .    2]" 1 
        54 1  16 MET H   1  16 MET HA   2.600     . 4.400 2.777 2.748 2.826     .  0 0 "[    .    1    .    2]" 1 
        55 1  16 MET H   1  16 MET HB2  2.600     . 4.400 2.133 2.046 2.430     .  0 0 "[    .    1    .    2]" 1 
        56 1  16 MET H   1  16 MET HB3  2.500     . 4.100 3.165 2.630 3.475     .  0 0 "[    .    1    .    2]" 1 
        57 1  16 MET H   1  66 VAL CB   7.200 4.700 7.350 6.043 5.596 6.655     .  0 0 "[    .    1    .    2]" 1 
        58 1  16 MET HA  1  19 GLU QB   3.500     . 3.650 3.142 2.485 3.609     .  0 0 "[    .    1    .    2]" 1 
        59 1  16 MET HB2 1  17 ASP H    2.600     . 4.400 3.107 2.682 3.703     .  0 0 "[    .    1    .    2]" 1 
        60 1  16 MET O   1  20 GLU H    2.700     . 2.850 1.957 1.757 2.640     .  0 0 "[    .    1    .    2]" 1 
        61 1  16 MET O   1  20 GLU N    3.700     . 3.850 2.918 2.719 3.538     .  0 0 "[    .    1    .    2]" 1 
        62 1  17 ASP H   1  17 ASP HA   2.400     . 3.800 2.778 2.764 2.790     .  0 0 "[    .    1    .    2]" 1 
        63 1  17 ASP H   1  17 ASP QB   2.700     . 3.800 2.380 2.042 2.724     .  0 0 "[    .    1    .    2]" 1 
        64 1  17 ASP HA  1  20 GLU H    3.400     . 3.550 3.573 3.322 3.716 0.166 11 0 "[    .    1    .    2]" 1 
        65 1  17 ASP HA  1  20 GLU QB   3.500     . 3.650 2.689 2.187 3.381     .  0 0 "[    .    1    .    2]" 1 
        66 1  17 ASP QB  1  18 ASP H    2.600     . 4.400 2.341 1.962 2.872     .  0 0 "[    .    1    .    2]" 1 
        67 1  17 ASP O   1  21 SER H    2.700     . 2.850 1.819 1.725 1.965     .  0 0 "[    .    1    .    2]" 1 
        68 1  17 ASP O   1  21 SER N    3.700     . 3.850 2.723 2.580 2.917     .  0 0 "[    .    1    .    2]" 1 
        69 1  18 ASP H   1  18 ASP HA   2.500     . 4.100 2.767 2.731 2.789     .  0 0 "[    .    1    .    2]" 1 
        70 1  18 ASP H   1  18 ASP HB2  2.300     . 3.500 2.423 2.073 3.165     .  0 0 "[    .    1    .    2]" 1 
        71 1  18 ASP HA  1  18 ASP HB2  2.600     . 4.400 2.948 2.765 3.030     .  0 0 "[    .    1    .    2]" 1 
        72 1  18 ASP HA  1  21 SER H    2.800     . 5.000 3.161 3.067 3.216     .  0 0 "[    .    1    .    2]" 1 
        73 1  18 ASP HA  1  21 SER H    3.400     . 3.550 3.575 3.391 3.674 0.124 15 0 "[    .    1    .    2]" 1 
        74 1  18 ASP HA  1  21 SER HB3  3.500     . 3.650 3.370 2.290 4.316 0.666 12 1 "[    .    1 +  .    2]" 1 
        75 1  18 ASP O   1  22 TRP H    2.700     . 2.850 2.009 1.841 2.304     .  0 0 "[    .    1    .    2]" 1 
        76 1  18 ASP O   1  22 TRP N    3.700     . 3.850 2.874 2.551 3.183     .  0 0 "[    .    1    .    2]" 1 
        77 1  19 GLU HA  1  22 TRP H    3.400     . 3.550 3.224 3.013 3.599 0.049 11 0 "[    .    1    .    2]" 1 
        78 1  19 GLU HA  1  22 TRP HB3  3.500     . 3.650 2.745 1.941 3.719 0.069  8 0 "[    .    1    .    2]" 1 
        79 1  19 GLU QB  1  20 GLU H    2.500     . 4.100 1.974 1.725 2.205     .  0 0 "[    .    1    .    2]" 1 
        80 1  19 GLU QB  1  91 PHE H    2.900     . 5.300 4.832 4.483 5.193     .  0 0 "[    .    1    .    2]" 1 
        81 1  19 GLU QG  1  20 GLU H    2.300     . 3.500 3.209 1.596 4.023 0.523 20 1 "[    .    1    .    +]" 1 
        82 1  19 GLU QG  1  21 SER H    2.600     . 4.400 3.897 3.299 4.307     .  0 0 "[    .    1    .    2]" 1 
        83 1  19 GLU O   1  23 ILE H    2.700     . 2.850 2.249 1.777 2.913 0.063 11 0 "[    .    1    .    2]" 1 
        84 1  19 GLU O   1  23 ILE N    3.700     . 3.850 3.158 2.679 3.817     .  0 0 "[    .    1    .    2]" 1 
        85 1  20 GLU H   1  20 GLU HA   2.700     . 4.700 2.752 2.717 2.837     .  0 0 "[    .    1    .    2]" 1 
        86 1  20 GLU H   1  21 SER H    2.400     . 3.800 2.806 2.547 2.955     .  0 0 "[    .    1    .    2]" 1 
        87 1  20 GLU H   1  91 PHE QB   5.000 2.500 5.150 5.228 4.707 5.321 0.171 13 0 "[    .    1    .    2]" 1 
        88 1  20 GLU H   1  91 PHE QD   5.000 2.500 5.150 3.810 3.150 5.038     .  0 0 "[    .    1    .    2]" 1 
        89 1  20 GLU H   1  91 PHE QE   5.000 2.500 5.150 3.364 2.469 4.829 0.031  3 0 "[    .    1    .    2]" 1 
        90 1  20 GLU H   1  91 PHE HZ   5.000 2.500 5.150 5.118 4.161 5.409 0.259 11 0 "[    .    1    .    2]" 1 
        91 1  20 GLU HA  1  20 GLU QG   2.500     . 4.100 2.577 2.280 3.080     .  0 0 "[    .    1    .    2]" 1 
        92 1  20 GLU HA  1  23 ILE H    3.400     . 3.550 3.548 3.365 3.663 0.113  4 0 "[    .    1    .    2]" 1 
        93 1  20 GLU HA  1  23 ILE HB   3.500     . 3.650 3.300 2.574 3.685 0.035 11 0 "[    .    1    .    2]" 1 
        94 1  20 GLU QB  1  21 SER H    2.700     . 4.700 2.636 2.401 2.780     .  0 0 "[    .    1    .    2]" 1 
        95 1  20 GLU O   1  24 LYS H    2.700     . 2.850 2.479 2.007 2.862 0.012  4 0 "[    .    1    .    2]" 1 
        96 1  20 GLU O   1  24 LYS N    3.700     . 3.850 3.437 2.978 3.797     .  0 0 "[    .    1    .    2]" 1 
        97 1  21 SER H   1  21 SER HB2  2.200     . 3.300 2.310 2.100 3.287     .  0 0 "[    .    1    .    2]" 1 
        98 1  21 SER HA  1  24 LYS H    3.400     . 3.550 3.510 3.235 3.619 0.069 15 0 "[    .    1    .    2]" 1 
        99 1  21 SER HA  1  24 LYS HB2  3.500     . 3.650 3.343 2.390 4.223 0.573 18 1 "[    .    1    .  + 2]" 1 
       100 1  21 SER QB  1  22 TRP H    2.400     . 3.800 2.408 2.251 2.564     .  0 0 "[    .    1    .    2]" 1 
       101 1  21 SER O   1  25 GLU H    2.700     . 2.850 1.981 1.852 2.292     .  0 0 "[    .    1    .    2]" 1 
       102 1  21 SER O   1  25 GLU N    3.700     . 3.850 2.936 2.777 3.256     .  0 0 "[    .    1    .    2]" 1 
       103 1  22 TRP H   1  22 TRP HB2  2.500     . 4.100 2.770 2.686 3.233     .  0 0 "[    .    1    .    2]" 1 
       104 1  22 TRP H   1  22 TRP HB3  2.400     . 3.800 2.421 2.177 2.586     .  0 0 "[    .    1    .    2]" 1 
       105 1  22 TRP H   1  23 ILE H    2.500     . 4.100 2.843 2.665 2.991     .  0 0 "[    .    1    .    2]" 1 
       106 1  22 TRP HA  1  23 ILE H    2.700     . 4.700 2.670 2.621 2.720     .  0 0 "[    .    1    .    2]" 1 
       107 1  22 TRP HA  1  25 GLU H    3.400     . 3.550 3.450 3.247 3.607 0.057 20 0 "[    .    1    .    2]" 1 
       108 1  22 TRP HA  1  25 GLU HB3  3.500     . 3.650 3.138 2.213 4.143 0.493 11 0 "[    .    1    .    2]" 1 
       109 1  22 TRP HB2 1  23 ILE H    2.800     . 5.000 3.969 3.704 4.137     .  0 0 "[    .    1    .    2]" 1 
       110 1  22 TRP HB3 1  23 ILE H    2.700     . 4.700 2.636 2.222 3.144     .  0 0 "[    .    1    .    2]" 1 
       111 1  22 TRP HD1 1  26 LYS HB2  5.000 2.500 5.150 4.557 3.489 5.187 0.037  2 0 "[    .    1    .    2]" 1 
       112 1  22 TRP HE1 1  26 LYS HB2  5.000 2.500 5.150 3.591 2.469 4.550 0.031 13 0 "[    .    1    .    2]" 1 
       113 1  22 TRP HE1 1  26 LYS HB3  5.000 2.500 5.150 4.849 3.208 5.249 0.099  2 0 "[    .    1    .    2]" 1 
       114 1  22 TRP HE1 1  59 HIS HD2  5.000 2.500 5.150 4.745 2.435 5.322 0.172 19 0 "[    .    1    .    2]" 1 
       115 1  22 TRP HE1 1  59 HIS HE1  4.000     . 4.150 3.998 2.848 4.305 0.155 19 0 "[    .    1    .    2]" 1 
       116 1  22 TRP HE3 1  26 LYS HB2  5.000 2.500 5.150 5.206 4.997 5.477 0.327 10 0 "[    .    1    .    2]" 1 
       117 1  22 TRP HE3 1  59 HIS HD2  5.000 2.500 5.150 5.123 4.421 5.464 0.314 13 0 "[    .    1    .    2]" 1 
       118 1  22 TRP HE3 1  63 ILE CD1  5.000 2.500 5.150 5.218 4.610 5.727 0.577  4 1 "[   +.    1    .    2]" 1 
       119 1  22 TRP HH2 1  26 LYS HB2  5.000 2.500 5.150 4.802 4.086 5.618 0.468 15 0 "[    .    1    .    2]" 1 
       120 1  22 TRP HH2 1  59 HIS HD2  5.000 2.500 5.150 3.039 2.367 4.542 0.133 15 0 "[    .    1    .    2]" 1 
       121 1  22 TRP HH2 1  63 ILE CD1  6.000 3.500 6.150 5.396 3.439 6.381 0.231  4 0 "[    .    1    .    2]" 1 
       122 1  22 TRP HZ2 1  26 LYS HB2  5.000 2.500 5.150 3.754 3.129 4.630     .  0 0 "[    .    1    .    2]" 1 
       123 1  22 TRP HZ2 1  26 LYS HB3  5.000 2.500 5.150 4.726 4.208 5.178 0.028  8 0 "[    .    1    .    2]" 1 
       124 1  22 TRP HZ2 1  59 HIS HD2  5.000 2.500 5.150 3.219 2.594 4.024     .  0 0 "[    .    1    .    2]" 1 
       125 1  22 TRP HZ3 1  23 ILE H    2.800     . 5.000 4.510 4.172 5.170 0.170 13 0 "[    .    1    .    2]" 1 
       126 1  22 TRP O   1  26 LYS H    2.700     . 2.850 1.819 1.735 1.941     .  0 0 "[    .    1    .    2]" 1 
       127 1  22 TRP O   1  26 LYS N    3.700     . 3.850 2.738 2.545 2.905     .  0 0 "[    .    1    .    2]" 1 
       128 1  23 ILE H   1  23 ILE HB   2.500     . 4.100 2.478 2.125 2.765     .  0 0 "[    .    1    .    2]" 1 
       129 1  23 ILE H   1  24 LYS QB   2.900     . 5.300 4.498 4.118 5.215     .  0 0 "[    .    1    .    2]" 1 
       130 1  23 ILE H   1  26 LYS HB3  2.900     . 5.300 5.120 4.619 5.498 0.198 12 0 "[    .    1    .    2]" 1 
       131 1  23 ILE HA  1  26 LYS H    3.400     . 3.550 3.537 3.254 3.659 0.109 13 0 "[    .    1    .    2]" 1 
       132 1  23 ILE HA  1  26 LYS HB3  3.500     . 3.650 2.809 2.282 3.113     .  0 0 "[    .    1    .    2]" 1 
       133 1  23 ILE O   1  27 LYS H    2.700     . 2.850 1.867 1.731 2.203     .  0 0 "[    .    1    .    2]" 1 
       134 1  23 ILE O   1  27 LYS N    3.700     . 3.850 2.835 2.696 3.160     .  0 0 "[    .    1    .    2]" 1 
       135 1  24 LYS H   1  24 LYS HA   2.400     . 3.800 2.776 2.739 2.811     .  0 0 "[    .    1    .    2]" 1 
       136 1  24 LYS H   1  24 LYS QB   2.200     . 3.300 2.373 2.017 2.893     .  0 0 "[    .    1    .    2]" 1 
       137 1  24 LYS H   1  24 LYS QD   2.800     . 5.000 4.127 3.204 4.630     .  0 0 "[    .    1    .    2]" 1 
       138 1  24 LYS HA  1  25 GLU H    2.400     . 3.800 2.701 2.671 2.730     .  0 0 "[    .    1    .    2]" 1 
       139 1  24 LYS HA  1  27 LYS H    3.400     . 3.550 3.596 3.548 3.654 0.104 15 0 "[    .    1    .    2]" 1 
       140 1  24 LYS HA  1  27 LYS HB3  3.500     . 3.650 3.204 2.613 4.518 0.868 11 2 "[    .    1+   .    -]" 1 
       141 1  24 LYS HA  1  28 LEU H    2.300     . 3.500 2.774 2.742 2.818     .  0 0 "[    .    1    .    2]" 1 
       142 1  24 LYS O   1  28 LEU H    2.700     . 2.850 2.122 1.944 2.459     .  0 0 "[    .    1    .    2]" 1 
       143 1  24 LYS O   1  28 LEU N    3.700     . 3.850 3.046 2.841 3.399     .  0 0 "[    .    1    .    2]" 1 
       144 1  25 GLU H   1  25 GLU HB2  2.200     . 3.300 2.489 2.113 3.386 0.086  6 0 "[    .    1    .    2]" 1 
       145 1  25 GLU HA  1  28 LEU H    3.400     . 3.550 3.579 3.463 3.639 0.089 20 0 "[    .    1    .    2]" 1 
       146 1  25 GLU HA  1  29 LEU H    2.800     . 5.000 3.350 3.261 3.425     .  0 0 "[    .    1    .    2]" 1 
       147 1  25 GLU HA  1  28 LEU HB3  3.500     . 3.650 3.217 2.384 3.658 0.008 17 0 "[    .    1    .    2]" 1 
       148 1  25 GLU QB  1  26 LYS H    2.700     . 4.700 2.688 2.385 3.247     .  0 0 "[    .    1    .    2]" 1 
       149 1  25 GLU O   1  29 LEU H    2.700     . 2.850 2.177 1.920 2.535     .  0 0 "[    .    1    .    2]" 1 
       150 1  25 GLU O   1  29 LEU N    3.700     . 3.850 3.058 2.748 3.439     .  0 0 "[    .    1    .    2]" 1 
       151 1  26 LYS H   1  26 LYS HA   2.700     . 4.700 2.818 2.790 2.870     .  0 0 "[    .    1    .    2]" 1 
       152 1  26 LYS H   1  26 LYS HB2  2.600     . 4.400 2.656 2.206 3.013     .  0 0 "[    .    1    .    2]" 1 
       153 1  26 LYS H   1  26 LYS HB3  2.800     . 5.000 2.437 2.135 2.962     .  0 0 "[    .    1    .    2]" 1 
       154 1  26 LYS H   1  27 LYS H    2.500     . 4.100 2.693 2.470 2.817     .  0 0 "[    .    1    .    2]" 1 
       155 1  26 LYS H   1  27 LYS H    2.200     . 3.300 2.436 2.292 2.503     .  0 0 "[    .    1    .    2]" 1 
       156 1  26 LYS HA  1  29 LEU H    3.400     . 3.550 3.240 3.047 3.519     .  0 0 "[    .    1    .    2]" 1 
       157 1  26 LYS HA  1  29 LEU QB   3.500     . 3.650 2.533 2.131 3.198     .  0 0 "[    .    1    .    2]" 1 
       158 1  26 LYS HB2 1  27 LYS H    2.700     . 4.700 3.883 3.523 4.065     .  0 0 "[    .    1    .    2]" 1 
       159 1  26 LYS HB3 1  27 LYS H    2.800     . 5.000 2.600 2.406 2.793     .  0 0 "[    .    1    .    2]" 1 
       160 1  26 LYS O   1  30 VAL H    2.700     . 2.850 2.060 1.881 2.314     .  0 0 "[    .    1    .    2]" 1 
       161 1  26 LYS O   1  30 VAL N    3.700     . 3.850 2.994 2.810 3.267     .  0 0 "[    .    1    .    2]" 1 
       162 1  27 LYS H   1  27 LYS HA   2.700     . 4.700 2.772 2.743 2.798     .  0 0 "[    .    1    .    2]" 1 
       163 1  27 LYS H   1  27 LYS QB   2.300     . 3.500 2.228 2.048 2.407     .  0 0 "[    .    1    .    2]" 1 
       164 1  27 LYS H   1  28 LEU H    2.600     . 4.400 2.785 2.678 2.889     .  0 0 "[    .    1    .    2]" 1 
       165 1  27 LYS H   1  28 LEU QD   2.800     . 5.000 4.256 3.727 5.247 0.247  6 0 "[    .    1    .    2]" 1 
       166 1  27 LYS HA  1  30 VAL H    3.400     . 3.550 3.516 3.355 3.626 0.076 14 0 "[    .    1    .    2]" 1 
       167 1  27 LYS HA  1  30 VAL H    2.400     . 3.800 2.686 2.647 2.742     .  0 0 "[    .    1    .    2]" 1 
       168 1  27 LYS HA  1  31 SER H    2.700     . 4.700 3.408 3.357 3.469     .  0 0 "[    .    1    .    2]" 1 
       169 1  27 LYS HA  1  30 VAL HB   3.500     . 3.650 3.207 2.499 3.677 0.027  9 0 "[    .    1    .    2]" 1 
       170 1  27 LYS O   1  31 SER H    2.700     . 2.850 2.290 1.999 2.805     .  0 0 "[    .    1    .    2]" 1 
       171 1  27 LYS O   1  31 SER N    3.700     . 3.850 3.207 2.862 3.667     .  0 0 "[    .    1    .    2]" 1 
       172 1  28 LEU H   1  28 LEU HB2  2.100     . 3.000 2.333 2.054 2.853     .  0 0 "[    .    1    .    2]" 1 
       173 1  28 LEU H   1  28 LEU MD2  2.700     . 4.700 4.003 2.909 4.367     .  0 0 "[    .    1    .    2]" 1 
       174 1  28 LEU HA  1  31 SER H    3.400     . 3.550 3.463 3.233 3.605 0.055  9 0 "[    .    1    .    2]" 1 
       175 1  28 LEU HA  1  31 SER QB   3.500     . 3.650 3.027 2.226 3.594     .  0 0 "[    .    1    .    2]" 1 
       176 1  28 LEU HB2 1  29 LEU H    2.200     . 3.300 2.166 2.025 2.590     .  0 0 "[    .    1    .    2]" 1 
       177 1  28 LEU MD1 1  31 SER H    2.700     . 4.700 2.974 1.933 3.271     .  0 0 "[    .    1    .    2]" 1 
       178 1  28 LEU MD2 1  29 LEU H    2.700     . 4.700 4.142 3.024 4.717 0.017 16 0 "[    .    1    .    2]" 1 
       179 1  28 LEU O   1  32 SER H    2.700     . 2.850 2.315 1.926 2.662     .  0 0 "[    .    1    .    2]" 1 
       180 1  28 LEU O   1  32 SER N    3.700     . 3.850 3.126 2.673 3.532     .  0 0 "[    .    1    .    2]" 1 
       181 1  29 LEU H   1  29 LEU HA   2.500     . 4.100 2.796 2.764 2.822     .  0 0 "[    .    1    .    2]" 1 
       182 1  29 LEU HA  1  32 SER H    3.400     . 3.550 3.377 3.081 3.582 0.032 16 0 "[    .    1    .    2]" 1 
       183 1  29 LEU HA  1  32 SER QB   3.500     . 3.650 3.004 2.205 3.388     .  0 0 "[    .    1    .    2]" 1 
       184 1  29 LEU QB  1  30 VAL H    2.500     . 4.100 2.499 2.266 2.701     .  0 0 "[    .    1    .    2]" 1 
       185 1  30 VAL H   1  30 VAL HB   2.400     . 3.800 2.585 2.109 2.835     .  0 0 "[    .    1    .    2]" 1 
       186 1  30 VAL H   1  30 VAL MG2  2.300     . 3.500 2.262 1.788 3.502 0.002  6 0 "[    .    1    .    2]" 1 
       187 1  30 VAL HB  1  31 SER H    2.800     . 5.000 2.693 2.384 3.406     .  0 0 "[    .    1    .    2]" 1 
       188 1  30 VAL MG1 1  31 SER HA   2.600     . 4.400 3.299 2.758 3.722     .  0 0 "[    .    1    .    2]" 1 
       189 1  31 SER H   1  31 SER HA   2.500     . 4.100 2.803 2.755 2.878     .  0 0 "[    .    1    .    2]" 1 
       190 1  31 SER H   1  31 SER QB   2.400     . 3.800 2.536 2.060 2.864     .  0 0 "[    .    1    .    2]" 1 
       191 1  31 SER HA  1  32 SER H    2.400     . 3.800 2.744 2.706 2.763     .  0 0 "[    .    1    .    2]" 1 
       192 1  31 SER HA  1  33 GLU H    2.400     . 3.800 3.443 3.350 3.504     .  0 0 "[    .    1    .    2]" 1 
       193 1  31 SER HA  1  34 ASP H    2.700     . 4.700 4.083 3.369 4.771 0.071  2 0 "[    .    1    .    2]" 1 
       194 1  31 SER QB  1  32 SER H    2.300     . 3.500 2.358 2.052 2.653     .  0 0 "[    .    1    .    2]" 1 
       195 1  32 SER H   1  33 GLU H    2.800     . 5.000 2.536 2.346 2.754     .  0 0 "[    .    1    .    2]" 1 
       196 1  32 SER HA  1  35 TYR H    2.600     . 4.400 2.675 2.268 2.953     .  0 0 "[    .    1    .    2]" 1 
       197 1  33 GLU H   1  33 GLU HA   2.700     . 4.700 2.661 2.252 2.948     .  0 0 "[    .    1    .    2]" 1 
       198 1  33 GLU H   1  33 GLU QB   2.600     . 4.400 2.647 2.053 3.328     .  0 0 "[    .    1    .    2]" 1 
       199 1  33 GLU HA  1  34 ASP H    2.400     . 3.800 3.096 2.230 3.568     .  0 0 "[    .    1    .    2]" 1 
       200 1  33 GLU QB  1  34 ASP H    2.700     . 4.700 3.254 2.061 4.050     .  0 0 "[    .    1    .    2]" 1 
       201 1  34 ASP H   1  34 ASP HA   2.600     . 4.400 2.736 2.260 2.951     .  0 0 "[    .    1    .    2]" 1 
       202 1  34 ASP H   1  34 ASP QB   2.400     . 3.800 2.583 2.087 3.087     .  0 0 "[    .    1    .    2]" 1 
       203 1  34 ASP HA  1  35 TYR H    2.400     . 3.800 2.663 2.115 3.576     .  0 0 "[    .    1    .    2]" 1 
       204 1  35 TYR H   1  35 TYR QB   2.300     . 3.500 2.820 2.045 3.424     .  0 0 "[    .    1    .    2]" 1 
       205 1  35 TYR HA  1  36 GLY H    2.600     . 4.400 2.998 2.149 3.587     .  0 0 "[    .    1    .    2]" 1 
       206 1  35 TYR QB  1  36 GLY H    2.900     . 5.300 3.126 1.748 4.004     .  0 0 "[    .    1    .    2]" 1 
       207 1  36 GLY H   1  36 GLY QA   2.300     . 3.500 2.281 2.185 2.501     .  0 0 "[    .    1    .    2]" 1 
       208 1  36 GLY QA  1  37 ARG H    2.600     . 4.400 2.325 2.102 2.915     .  0 0 "[    .    1    .    2]" 1 
       209 1  37 ARG H   1  37 ARG HA   2.700     . 4.700 2.753 2.264 2.951     .  0 0 "[    .    1    .    2]" 1 
       210 1  37 ARG H   1  37 ARG HB3  2.800     . 5.000 3.122 2.256 3.899     .  0 0 "[    .    1    .    2]" 1 
       211 1  37 ARG HA  1  38 ASP H    2.400     . 3.800 2.419 2.085 3.560     .  0 0 "[    .    1    .    2]" 1 
       212 1  37 ARG HA  1  39 LEU H    2.700     . 4.700 2.524 2.212 2.850     .  0 0 "[    .    1    .    2]" 1 
       213 1  37 ARG HA  1  40 THR H    2.700     . 4.700 4.688 4.203 4.862 0.162  5 0 "[    .    1    .    2]" 1 
       214 1  37 ARG QB  1  38 ASP H    2.900     . 5.300 3.456 1.993 4.034     .  0 0 "[    .    1    .    2]" 1 
       215 1  37 ARG HB3 1  40 THR H    2.900     . 5.300 3.044 2.003 3.957     .  0 0 "[    .    1    .    2]" 1 
       216 1  37 ARG QD  1  39 LEU QB   2.000     . 2.800 2.536 1.921 2.889 0.089 20 0 "[    .    1    .    2]" 1 
       217 1  38 ASP H   1  38 ASP QB   2.600     . 4.400 2.821 2.281 3.356     .  0 0 "[    .    1    .    2]" 1 
       218 1  38 ASP H   1  41 GLY HA2  2.300     . 3.500 2.787 2.756 2.805     .  0 0 "[    .    1    .    2]" 1 
       219 1  38 ASP HB2 1  39 LEU H    2.900     . 5.300 3.777 2.320 4.648     .  0 0 "[    .    1    .    2]" 1 
       220 1  39 LEU H   1  39 LEU QB   2.400     . 3.800 2.573 2.057 3.241     .  0 0 "[    .    1    .    2]" 1 
       221 1  39 LEU HA  1  39 LEU MD1  2.300     . 3.500 2.886 2.061 3.900 0.400  8 0 "[    .    1    .    2]" 1 
       222 1  39 LEU HA  1  39 LEU MD2  2.500     . 4.100 3.019 1.873 3.925     .  0 0 "[    .    1    .    2]" 1 
       223 1  40 THR H   1  40 THR HA   2.300     . 3.500 2.635 2.323 2.768     .  0 0 "[    .    1    .    2]" 1 
       224 1  40 THR H   1  40 THR MG   2.900     . 5.300 2.933 1.858 4.055     .  0 0 "[    .    1    .    2]" 1 
       225 1  40 THR HA  1  41 GLY H    2.400     . 3.800 2.366 2.067 2.602     .  0 0 "[    .    1    .    2]" 1 
       226 1  40 THR MG  1  44 ASN HA   2.400     . 3.800 3.828 3.715 3.889 0.089  5 0 "[    .    1    .    2]" 1 
       227 1  41 GLY H   1  41 GLY HA3  2.500     . 4.100 2.303 2.290 2.324     .  0 0 "[    .    1    .    2]" 1 
       228 1  41 GLY QA  1  44 ASN H    4.400     . 4.550 3.552 3.257 3.957     .  0 0 "[    .    1    .    2]" 1 
       229 1  41 GLY QA  1  44 ASN HB3  4.500     . 4.650 2.668 2.154 4.427     .  0 0 "[    .    1    .    2]" 1 
       230 1  41 GLY HA2 1  42 VAL H    2.600     . 4.400 3.566 3.548 3.584     .  0 0 "[    .    1    .    2]" 1 
       231 1  41 GLY HA3 1  42 VAL H    2.500     . 4.100 2.430 2.361 2.505     .  0 0 "[    .    1    .    2]" 1 
       232 1  41 GLY HA3 1  45 LEU H    2.600     . 4.400 2.792 2.755 2.812     .  0 0 "[    .    1    .    2]" 1 
       233 1  41 GLY O   1  45 LEU H    2.700     . 2.850 1.859 1.779 1.946     .  0 0 "[    .    1    .    2]" 1 
       234 1  41 GLY O   1  45 LEU N    3.700     . 3.850 2.747 2.566 2.860     .  0 0 "[    .    1    .    2]" 1 
       235 1  42 VAL H   1  42 VAL HB   2.500     . 4.100 3.092 2.565 3.626     .  0 0 "[    .    1    .    2]" 1 
       236 1  42 VAL H   1  42 VAL QG   2.600     . 4.400 1.872 1.733 2.034     .  0 0 "[    .    1    .    2]" 1 
       237 1  42 VAL HA  1  45 LEU H    3.400     . 3.550 3.580 3.379 3.646 0.096  8 0 "[    .    1    .    2]" 1 
       238 1  42 VAL HA  1  45 LEU MD2  2.300     . 3.500 2.549 1.965 3.372     .  0 0 "[    .    1    .    2]" 1 
       239 1  42 VAL HA  1  45 LEU HB2  3.500     . 3.650 3.174 2.683 3.675 0.025  5 0 "[    .    1    .    2]" 1 
       240 1  42 VAL HA  1  45 LEU MD2  2.600     . 4.400 3.318 2.123 4.477 0.077 14 0 "[    .    1    .    2]" 1 
       241 1  42 VAL HA  1  45 LEU MD2  2.300     . 3.500 2.989 2.120 3.501 0.001 17 0 "[    .    1    .    2]" 1 
       242 1  42 VAL O   1  46 ARG H    2.700     . 2.850 2.147 1.921 2.492     .  0 0 "[    .    1    .    2]" 1 
       243 1  42 VAL O   1  46 ARG N    3.700     . 3.850 3.120 2.898 3.455     .  0 0 "[    .    1    .    2]" 1 
       244 1  43 GLN H   1  43 GLN HA   2.600     . 4.400 2.804 2.774 2.834     .  0 0 "[    .    1    .    2]" 1 
       245 1  43 GLN H   1  43 GLN QB   2.500     . 4.100 2.255 2.060 2.667     .  0 0 "[    .    1    .    2]" 1 
       246 1  43 GLN H   1  43 GLN QG   2.800     . 5.000 3.254 2.012 4.072     .  0 0 "[    .    1    .    2]" 1 
       247 1  43 GLN HA  1  46 ARG H    3.400     . 3.550 3.548 3.456 3.644 0.094  6 0 "[    .    1    .    2]" 1 
       248 1  43 GLN HA  1  46 ARG H    2.500     . 4.100 2.681 2.654 2.715     .  0 0 "[    .    1    .    2]" 1 
       249 1  43 GLN HA  1  46 ARG HB2  3.500     . 3.650 3.074 2.438 3.697 0.047 18 0 "[    .    1    .    2]" 1 
       250 1  43 GLN QB  1  44 ASN HA   2.500     . 4.100 3.897 3.778 4.141 0.041 14 0 "[    .    1    .    2]" 1 
       251 1  43 GLN O   1  47 LYS H    2.700     . 2.850 2.092 1.948 2.249     .  0 0 "[    .    1    .    2]" 1 
       252 1  43 GLN O   1  47 LYS N    3.700     . 3.850 2.986 2.812 3.176     .  0 0 "[    .    1    .    2]" 1 
       253 1  44 ASN H   1  44 ASN QB   2.600     . 4.400 2.162 2.051 2.243     .  0 0 "[    .    1    .    2]" 1 
       254 1  44 ASN HA  1  47 LYS H    3.400     . 3.550 3.521 3.290 3.595 0.045 12 0 "[    .    1    .    2]" 1 
       255 1  44 ASN HA  1  47 LYS HB2  2.600     . 4.400 3.285 2.104 4.486 0.086  1 0 "[    .    1    .    2]" 1 
       256 1  44 ASN HA  1  47 LYS QB   2.400     . 3.800 2.559 2.073 3.239     .  0 0 "[    .    1    .    2]" 1 
       257 1  44 ASN HA  1  47 LYS HB3  3.500     . 3.650 3.295 2.129 4.431 0.781 20 6 "[ - *.    ***  .    +]" 1 
       258 1  44 ASN HA  1  47 LYS QD   2.500     . 4.100 3.195 2.062 4.146 0.046  5 0 "[    .    1    .    2]" 1 
       259 1  44 ASN HA  1  47 LYS HD2  2.500     . 4.100 3.085 2.019 3.786     .  0 0 "[    .    1    .    2]" 1 
       260 1  44 ASN HA  1  47 LYS HE3  2.600     . 4.400 3.555 2.046 5.384 0.984  6 3 "[    .+   1   -.  * 2]" 1 
       261 1  44 ASN HA  1  47 LYS QG   2.500     . 4.100 3.626 2.021 3.978     .  0 0 "[    .    1    .    2]" 1 
       262 1  44 ASN QB  1  45 LEU H    2.800     . 5.000 2.631 2.304 3.136     .  0 0 "[    .    1    .    2]" 1 
       263 1  44 ASN O   1  48 LYS H    2.700     . 2.850 1.994 1.810 2.335     .  0 0 "[    .    1    .    2]" 1 
       264 1  44 ASN O   1  48 LYS N    3.700     . 3.850 2.916 2.732 3.286     .  0 0 "[    .    1    .    2]" 1 
       265 1  45 LEU H   1  45 LEU QB   2.500     . 4.100 2.217 1.989 2.484     .  0 0 "[    .    1    .    2]" 1 
       266 1  45 LEU H   1  46 ARG QB   2.600     . 4.400 4.188 3.629 4.422 0.022 13 0 "[    .    1    .    2]" 1 
       267 1  45 LEU HA  1  45 LEU MD2  2.200     . 3.300 2.190 1.823 2.779     .  0 0 "[    .    1    .    2]" 1 
       268 1  45 LEU HA  1  48 LYS H    2.400     . 3.800 2.605 2.558 2.637     .  0 0 "[    .    1    .    2]" 1 
       269 1  45 LEU HA  1  48 LYS H    3.400     . 3.550 3.425 3.196 3.591 0.041  6 0 "[    .    1    .    2]" 1 
       270 1  45 LEU HA  1  48 LYS HB2  3.500     . 3.650 3.045 2.388 4.021 0.371  7 0 "[    .    1    .    2]" 1 
       271 1  45 LEU HB3 1  45 LEU MD2  2.500     . 4.100 1.827 1.764 2.006     .  0 0 "[    .    1    .    2]" 1 
       272 1  45 LEU O   1  49 HIS H    2.700     . 2.850 1.915 1.781 2.116     .  0 0 "[    .    1    .    2]" 1 
       273 1  45 LEU O   1  49 HIS N    3.700     . 3.850 2.869 2.730 3.065     .  0 0 "[    .    1    .    2]" 1 
       274 1  46 ARG H   1  46 ARG QB   2.500     . 4.100 2.145 2.047 2.318     .  0 0 "[    .    1    .    2]" 1 
       275 1  46 ARG HA  1  47 LYS H    2.500     . 4.100 2.712 2.682 2.741     .  0 0 "[    .    1    .    2]" 1 
       276 1  46 ARG HA  1  49 HIS H    3.400     . 3.550 3.503 3.313 3.595 0.045 10 0 "[    .    1    .    2]" 1 
       277 1  46 ARG HA  1  49 HIS HB3  3.500     . 3.650 3.360 2.445 4.511 0.861 11 2 "[    .    1+   -    2]" 1 
       278 1  46 ARG HE  1  50 LYS H    2.600     . 4.400 3.165 2.050 4.018     .  0 0 "[    .    1    .    2]" 1 
       279 1  46 ARG QG  1  49 HIS HB3  2.500     . 4.100 3.860 2.950 5.050 0.950 11 3 "[    .-*  1+   .    2]" 1 
       280 1  46 ARG O   1  50 LYS H    2.700     . 2.850 2.110 1.830 2.704     .  0 0 "[    .    1    .    2]" 1 
       281 1  46 ARG O   1  50 LYS N    3.700     . 3.850 3.071 2.722 3.657     .  0 0 "[    .    1    .    2]" 1 
       282 1  47 LYS H   1  47 LYS QB   2.200     . 3.300 2.181 2.025 2.393     .  0 0 "[    .    1    .    2]" 1 
       283 1  47 LYS H   1  47 LYS HD2  2.800     . 5.000 3.097 2.402 3.721     .  0 0 "[    .    1    .    2]" 1 
       284 1  47 LYS HA  1  51 ARG H    2.900     . 5.300 3.349 3.183 3.511     .  0 0 "[    .    1    .    2]" 1 
       285 1  47 LYS HA  1  50 LYS H    3.400     . 3.550 3.592 3.452 3.650 0.100 15 0 "[    .    1    .    2]" 1 
       286 1  47 LYS HA  1  50 LYS HB2  3.500     . 3.650 3.076 2.451 3.669 0.019  7 0 "[    .    1    .    2]" 1 
       287 1  47 LYS HB3 1  48 LYS H    2.200     . 3.300 2.165 2.022 2.580     .  0 0 "[    .    1    .    2]" 1 
       288 1  47 LYS O   1  51 ARG H    2.700     . 2.850 2.177 1.950 2.583     .  0 0 "[    .    1    .    2]" 1 
       289 1  47 LYS O   1  51 ARG N    3.700     . 3.850 3.107 2.837 3.474     .  0 0 "[    .    1    .    2]" 1 
       290 1  48 LYS HA  1  51 ARG H    3.400     . 3.550 3.487 3.286 3.609 0.059 16 0 "[    .    1    .    2]" 1 
       291 1  48 LYS HA  1  51 ARG HB3  3.500     . 3.650 3.293 2.506 4.007 0.357  7 0 "[    .    1    .    2]" 1 
       292 1  48 LYS QB  1  49 HIS H    2.800     . 5.000 2.522 2.336 2.674     .  0 0 "[    .    1    .    2]" 1 
       293 1  48 LYS O   1  52 LEU H    2.700     . 2.850 1.946 1.775 2.326     .  0 0 "[    .    1    .    2]" 1 
       294 1  48 LYS O   1  52 LEU N    3.700     . 3.850 2.824 2.532 3.268     .  0 0 "[    .    1    .    2]" 1 
       295 1  49 HIS H   1  49 HIS HA   2.900     . 5.300 2.771 2.742 2.809     .  0 0 "[    .    1    .    2]" 1 
       296 1  49 HIS H   1  49 HIS QB   2.600     . 4.400 2.183 2.049 2.527     .  0 0 "[    .    1    .    2]" 1 
       297 1  49 HIS HA  1  50 LYS H    2.900     . 5.300 3.573 3.535 3.589     .  0 0 "[    .    1    .    2]" 1 
       298 1  49 HIS HA  1  52 LEU H    3.400     . 3.550 3.353 3.194 3.561 0.011  3 0 "[    .    1    .    2]" 1 
       299 1  49 HIS HA  1  52 LEU HB3  3.500     . 3.650 3.339 2.437 4.437 0.787  3 4 "[ -+**    1    .    2]" 1 
       300 1  49 HIS HA  1  52 LEU QD   2.100     . 3.000 2.843 2.150 3.047 0.047 16 0 "[    .    1    .    2]" 1 
       301 1  49 HIS QB  1  50 LYS H    2.700     . 4.700 2.410 2.179 2.787     .  0 0 "[    .    1    .    2]" 1 
       302 1  49 HIS HB2 1  50 LYS H    2.900     . 5.300 3.095 2.110 3.978     .  0 0 "[    .    1    .    2]" 1 
       303 1  49 HIS O   1  53 GLU H    2.700     . 2.850 1.975 1.796 2.290     .  0 0 "[    .    1    .    2]" 1 
       304 1  49 HIS O   1  53 GLU N    3.700     . 3.850 2.924 2.757 3.226     .  0 0 "[    .    1    .    2]" 1 
       305 1  50 LYS H   1  50 LYS HG3  2.600     . 4.400 3.795 2.640 4.528 0.128  6 0 "[    .    1    .    2]" 1 
       306 1  50 LYS HA  1  51 ARG H    2.600     . 4.400 2.716 2.699 2.737     .  0 0 "[    .    1    .    2]" 1 
       307 1  50 LYS HA  1  53 GLU H    2.800     . 5.000 3.446 3.320 3.495     .  0 0 "[    .    1    .    2]" 1 
       308 1  50 LYS HA  1  53 GLU H    3.400     . 3.550 3.565 3.416 3.636 0.086 10 0 "[    .    1    .    2]" 1 
       309 1  50 LYS HA  1  53 GLU QB   3.500     . 3.650 2.965 2.234 3.584     .  0 0 "[    .    1    .    2]" 1 
       310 1  50 LYS HG2 1  52 LEU H    2.600     . 4.400 4.192 2.822 4.448 0.048  9 0 "[    .    1    .    2]" 1 
       311 1  50 LYS O   1  54 ALA H    2.700     . 2.850 2.236 1.912 2.630     .  0 0 "[    .    1    .    2]" 1 
       312 1  50 LYS O   1  54 ALA N    3.700     . 3.850 3.199 2.872 3.585     .  0 0 "[    .    1    .    2]" 1 
       313 1  51 ARG H   1  51 ARG QB   2.200     . 3.300 2.147 2.038 2.248     .  0 0 "[    .    1    .    2]" 1 
       314 1  51 ARG HA  1  52 LEU H    2.600     . 4.400 2.697 2.682 2.718     .  0 0 "[    .    1    .    2]" 1 
       315 1  51 ARG HA  1  54 ALA H    3.400     . 3.550 3.568 3.378 3.629 0.079  3 0 "[    .    1    .    2]" 1 
       316 1  51 ARG HA  1  54 ALA MB   3.500     . 3.650 2.806 2.573 3.005     .  0 0 "[    .    1    .    2]" 1 
       317 1  51 ARG QB  1  52 LEU H    2.400     . 3.800 2.123 2.003 2.402     .  0 0 "[    .    1    .    2]" 1 
       318 1  51 ARG O   1  55 GLU H    2.700     . 2.850 1.962 1.811 2.198     .  0 0 "[    .    1    .    2]" 1 
       319 1  51 ARG O   1  55 GLU N    3.700     . 3.850 2.909 2.715 3.168     .  0 0 "[    .    1    .    2]" 1 
       320 1  52 LEU H   1  53 GLU H    2.500     . 4.100 2.761 2.643 2.861     .  0 0 "[    .    1    .    2]" 1 
       321 1  52 LEU HA  1  52 LEU QD   2.200     . 3.300 2.281 1.885 2.837     .  0 0 "[    .    1    .    2]" 1 
       322 1  52 LEU HA  1  56 LEU H    2.800     . 5.000 3.246 3.193 3.312     .  0 0 "[    .    1    .    2]" 1 
       323 1  52 LEU HA  1  55 GLU H    3.400     . 3.550 3.477 3.328 3.584 0.034  8 0 "[    .    1    .    2]" 1 
       324 1  52 LEU HA  1  55 GLU H    2.300     . 3.500 2.668 2.635 2.691     .  0 0 "[    .    1    .    2]" 1 
       325 1  52 LEU HA  1  55 GLU HB3  3.500     . 3.650 3.618 2.607 4.472 0.822  4 2 "[   +.    1 -  .    2]" 1 
       326 1  52 LEU HB2 1  52 LEU QD   2.500     . 4.100 1.924 1.830 2.043     .  0 0 "[    .    1    .    2]" 1 
       327 1  52 LEU HB3 1  53 GLU H    2.800     . 5.000 2.627 2.199 3.343     .  0 0 "[    .    1    .    2]" 1 
       328 1  52 LEU HG  1  56 LEU H    2.700     . 4.700 3.205 2.095 3.713     .  0 0 "[    .    1    .    2]" 1 
       329 1  52 LEU O   1  56 LEU H    2.700     . 2.850 1.832 1.757 2.017     .  0 0 "[    .    1    .    2]" 1 
       330 1  52 LEU O   1  56 LEU N    3.700     . 3.850 2.804 2.692 2.994     .  0 0 "[    .    1    .    2]" 1 
       331 1  53 GLU H   1  53 GLU HA   2.600     . 4.400 2.771 2.744 2.795     .  0 0 "[    .    1    .    2]" 1 
       332 1  53 GLU H   1  53 GLU QB   2.400     . 3.500 2.328 2.073 2.734     .  0 0 "[    .    1    .    2]" 1 
       333 1  53 GLU HA  1  56 LEU H    3.400     . 3.550 3.604 3.496 3.663 0.113  5 0 "[    .    1    .    2]" 1 
       334 1  53 GLU HA  1  56 LEU QB   3.500     . 3.650 2.767 2.319 3.607     .  0 0 "[    .    1    .    2]" 1 
       335 1  53 GLU QB  1  54 ALA H    2.700     . 4.400 2.513 2.261 3.340     .  0 0 "[    .    1    .    2]" 1 
       336 1  53 GLU O   1  57 ALA H    2.700     . 2.850 2.090 1.932 2.337     .  0 0 "[    .    1    .    2]" 1 
       337 1  53 GLU O   1  57 ALA N    3.700     . 3.850 3.003 2.820 3.222     .  0 0 "[    .    1    .    2]" 1 
       338 1  54 ALA H   1  54 ALA HA   2.600     . 4.400 2.796 2.775 2.823     .  0 0 "[    .    1    .    2]" 1 
       339 1  54 ALA H   1  54 ALA MB   2.200     . 3.300 2.227 2.191 2.245     .  0 0 "[    .    1    .    2]" 1 
       340 1  54 ALA HA  1  57 ALA H    3.400     . 3.550 3.550 3.398 3.616 0.066  9 0 "[    .    1    .    2]" 1 
       341 1  54 ALA HA  1  57 ALA H    2.500     . 4.100 2.692 2.658 2.737     .  0 0 "[    .    1    .    2]" 1 
       342 1  54 ALA HA  1  57 ALA MB   3.500     . 3.650 2.767 2.370 3.257     .  0 0 "[    .    1    .    2]" 1 
       343 1  54 ALA MB  1  55 GLU H    2.500     . 4.100 2.395 2.206 2.547     .  0 0 "[    .    1    .    2]" 1 
       344 1  54 ALA O   1  58 ALA H    3.700     . 3.850 2.277 1.958 2.673     .  0 0 "[    .    1    .    2]" 1 
       345 1  54 ALA O   1  58 ALA N    4.700 2.200 4.850 3.193 2.925 3.545     .  0 0 "[    .    1    .    2]" 1 
       346 1  55 GLU H   1  55 GLU QB   2.400     . 3.800 2.163 2.020 2.468     .  0 0 "[    .    1    .    2]" 1 
       347 1  55 GLU H   1  55 GLU QG   2.700     . 4.700 3.152 2.141 4.032     .  0 0 "[    .    1    .    2]" 1 
       348 1  55 GLU HA  1  58 ALA H    4.000     . 4.150 3.637 3.229 4.076     .  0 0 "[    .    1    .    2]" 1 
       349 1  55 GLU HA  1  58 ALA MB   4.000     . 4.150 3.102 2.539 3.719     .  0 0 "[    .    1    .    2]" 1 
       350 1  55 GLU HA  1  59 HIS H    2.500     . 4.100 2.794 2.751 2.832     .  0 0 "[    .    1    .    2]" 1 
       351 1  55 GLU QB  1  56 LEU H    2.800     . 5.000 2.416 2.135 2.730     .  0 0 "[    .    1    .    2]" 1 
       352 1  55 GLU HB3 1  56 LEU HA   2.600     . 4.400 3.874 3.661 4.420 0.020 14 0 "[    .    1    .    2]" 1 
       353 1  55 GLU O   1  59 HIS H    3.700     . 3.850 2.118 1.908 2.724     .  0 0 "[    .    1    .    2]" 1 
       354 1  55 GLU O   1  59 HIS N    4.700 2.200 4.850 2.953 2.664 3.555     .  0 0 "[    .    1    .    2]" 1 
       355 1  56 LEU H   1  56 LEU HA   2.700     . 4.700 2.762 2.689 2.798     .  0 0 "[    .    1    .    2]" 1 
       356 1  56 LEU H   1  56 LEU QB   2.200     . 3.300 2.207 2.017 2.509     .  0 0 "[    .    1    .    2]" 1 
       357 1  56 LEU H   1  57 ALA H    2.500     . 4.100 2.804 2.704 3.005     .  0 0 "[    .    1    .    2]" 1 
       358 1  56 LEU HA  1  57 ALA MB   2.600     . 4.400 4.517 4.399 4.621 0.221 18 0 "[    .    1    .    2]" 1 
       359 1  56 LEU HA  1  59 HIS H    4.000     . 4.150 3.406 3.074 3.836     .  0 0 "[    .    1    .    2]" 1 
       360 1  56 LEU HA  1  59 HIS HB3  4.000     . 4.150 3.955 2.225 5.104 0.954  9 3 "[    . - +1    .   *2]" 1 
       361 1  56 LEU QB  1  57 ALA H    2.600     . 4.400 2.654 2.461 3.423     .  0 0 "[    .    1    .    2]" 1 
       362 1  56 LEU O   1  60 GLU H    3.700     . 3.850 2.374 2.037 3.666     .  0 0 "[    .    1    .    2]" 1 
       363 1  56 LEU O   1  60 GLU N    4.700 2.200 4.850 3.232 2.784 4.391     .  0 0 "[    .    1    .    2]" 1 
       364 1  57 ALA H   1  57 ALA MB   2.100     . 3.000 2.184 2.087 2.243     .  0 0 "[    .    1    .    2]" 1 
       365 1  57 ALA HA  1  60 GLU H    4.000     . 4.150 3.895 3.591 4.163 0.013  2 0 "[    .    1    .    2]" 1 
       366 1  57 ALA HA  1  60 GLU HB2  4.000     . 4.150 3.644 3.005 4.887 0.737 19 3 "[    .    1  - .  *+2]" 1 
       367 1  57 ALA MB  1  58 ALA H    2.100     . 3.000 2.064 1.981 2.156     .  0 0 "[    .    1    .    2]" 1 
       368 1  58 ALA HA  1  61 PRO HB2  4.000     . 4.150 4.197 3.769 4.313 0.163 20 0 "[    .    1    .    2]" 1 
       369 1  58 ALA MB  1  59 HIS H    2.600     . 4.400 2.837 2.658 3.016     .  0 0 "[    .    1    .    2]" 1 
       370 1  58 ALA O   1  62 ALA H    3.700     . 3.850 2.386 1.994 3.020     .  0 0 "[    .    1    .    2]" 1 
       371 1  58 ALA O   1  62 ALA N    4.700 2.200 4.850 3.304 2.892 3.963     .  0 0 "[    .    1    .    2]" 1 
       372 1  59 HIS H   1  59 HIS HB2  2.400     . 3.800 2.410 2.068 3.621     .  0 0 "[    .    1    .    2]" 1 
       373 1  59 HIS H   1  59 HIS HD2  5.000 2.500 5.150 4.884 3.787 5.253 0.103  4 0 "[    .    1    .    2]" 1 
       374 1  59 HIS H   1  63 ILE CD1  6.000 3.500 6.150 6.295 6.198 6.436 0.286 17 0 "[    .    1    .    2]" 1 
       375 1  59 HIS HA  1  62 ALA H    4.000     . 4.150 3.601 3.183 3.948     .  0 0 "[    .    1    .    2]" 1 
       376 1  59 HIS HA  1  62 ALA MB   4.000     . 4.150 2.506 1.944 3.113     .  0 0 "[    .    1    .    2]" 1 
       377 1  59 HIS HA  1  62 ALA MB   2.600     . 4.400 2.149 1.851 2.687     .  0 0 "[    .    1    .    2]" 1 
       378 1  59 HIS HD2 1  63 ILE CD1  6.000 3.500 6.150 4.055 3.309 5.754 0.191 14 0 "[    .    1    .    2]" 1 
       379 1  59 HIS HD2 1  95 TRP HE3  5.000 2.500 5.150 4.994 3.853 5.508 0.358  8 0 "[    .    1    .    2]" 1 
       380 1  59 HIS HD2 1  95 TRP HH2  5.000 2.500 5.150 3.977 2.764 4.751     .  0 0 "[    .    1    .    2]" 1 
       381 1  59 HIS HD2 1  95 TRP HZ2  5.000 2.500 5.150 3.877 2.515 5.245 0.095 20 0 "[    .    1    .    2]" 1 
       382 1  59 HIS O   1  63 ILE H    3.700     . 3.850 1.920 1.741 2.228     .  0 0 "[    .    1    .    2]" 1 
       383 1  59 HIS O   1  63 ILE N    4.700 2.200 4.850 2.825 2.533 3.202     .  0 0 "[    .    1    .    2]" 1 
       384 1  60 GLU HA  1  63 ILE H    4.000     . 4.150 3.874 3.086 4.171 0.021  2 0 "[    .    1    .    2]" 1 
       385 1  60 GLU HA  1  63 ILE HB   4.000     . 4.150 3.278 2.078 3.825     .  0 0 "[    .    1    .    2]" 1 
       386 1  60 GLU O   1  64 GLN H    3.700     . 3.850 1.926 1.797 2.151     .  0 0 "[    .    1    .    2]" 1 
       387 1  60 GLU O   1  64 GLN N    4.700 2.200 4.850 2.853 2.694 3.131     .  0 0 "[    .    1    .    2]" 1 
       388 1  61 PRO HA  1  64 GLN H    4.000     . 4.150 3.996 3.404 4.309 0.159  7 0 "[    .    1    .    2]" 1 
       389 1  61 PRO HA  1  64 GLN HB2  4.000     . 4.150 3.254 2.175 4.236 0.086 19 0 "[    .    1    .    2]" 1 
       390 1  61 PRO O   1  65 GLY H    3.700     . 3.850 2.102 1.831 2.578     .  0 0 "[    .    1    .    2]" 1 
       391 1  61 PRO O   1  65 GLY N    4.700 2.200 4.850 3.023 2.723 3.527     .  0 0 "[    .    1    .    2]" 1 
       392 1  62 ALA H   1  62 ALA HA   2.600     . 4.400 2.813 2.769 2.886     .  0 0 "[    .    1    .    2]" 1 
       393 1  62 ALA H   1  62 ALA MB   2.300     . 3.500 2.227 2.033 2.264     .  0 0 "[    .    1    .    2]" 1 
       394 1  62 ALA HA  1  65 GLY H    4.000     . 4.150 3.909 3.159 4.238 0.088 19 0 "[    .    1    .    2]" 1 
       395 1  62 ALA O   1  66 VAL H    3.700     . 3.850 2.544 1.970 3.079     .  0 0 "[    .    1    .    2]" 1 
       396 1  62 ALA O   1  66 VAL N    4.700 2.200 4.850 3.479 2.840 4.018     .  0 0 "[    .    1    .    2]" 1 
       397 1  63 ILE CD1 1  91 PHE QD   5.000 2.500 5.150 5.235 4.841 5.399 0.249  6 0 "[    .    1    .    2]" 1 
       398 1  63 ILE CD1 1  91 PHE HZ   4.000     . 4.150 3.297 2.482 4.148     .  0 0 "[    .    1    .    2]" 1 
       399 1  63 ILE CD1 1  95 TRP HD1  6.000 3.500 6.150 5.525 4.541 6.144     .  0 0 "[    .    1    .    2]" 1 
       400 1  63 ILE CD1 1  95 TRP HE1  6.000 3.500 6.150 5.226 4.514 5.774     .  0 0 "[    .    1    .    2]" 1 
       401 1  63 ILE CD1 1  95 TRP HE3  6.000 3.500 6.150 4.774 3.512 6.250 0.100  4 0 "[    .    1    .    2]" 1 
       402 1  63 ILE CD1 1  95 TRP HZ2  5.000 2.500 5.150 5.163 4.602 5.305 0.155 11 0 "[    .    1    .    2]" 1 
       403 1  63 ILE H   1  63 ILE HB   2.700     . 4.700 2.436 2.139 2.736     .  0 0 "[    .    1    .    2]" 1 
       404 1  63 ILE H   1  64 GLN H    2.500     . 4.100 2.673 2.427 2.857     .  0 0 "[    .    1    .    2]" 1 
       405 1  63 ILE HA  1  66 VAL H    3.400     . 3.550 3.582 3.231 3.705 0.155 13 0 "[    .    1    .    2]" 1 
       406 1  63 ILE HA  1  66 VAL HB   3.500     . 3.650 3.301 2.654 3.677 0.027 11 0 "[    .    1    .    2]" 1 
       407 1  63 ILE HB  1  64 GLN H    2.500     . 4.100 2.627 2.407 2.880     .  0 0 "[    .    1    .    2]" 1 
       408 1  63 ILE MG  1  92 VAL QG   2.600     . 4.400 3.633 2.883 4.200     .  0 0 "[    .    1    .    2]" 1 
       409 1  63 ILE O   1  67 LEU H    2.700     . 2.850 2.166 1.940 2.628     .  0 0 "[    .    1    .    2]" 1 
       410 1  63 ILE O   1  67 LEU N    3.700     . 3.850 3.136 2.915 3.602     .  0 0 "[    .    1    .    2]" 1 
       411 1  64 GLN H   1  64 GLN HA   2.600     . 4.400 2.784 2.733 2.870     .  0 0 "[    .    1    .    2]" 1 
       412 1  64 GLN H   1  64 GLN QB   2.400     . 3.800 2.249 2.055 2.503     .  0 0 "[    .    1    .    2]" 1 
       413 1  64 GLN HA  1  67 LEU H    2.700     . 4.700 3.094 3.007 3.145     .  0 0 "[    .    1    .    2]" 1 
       414 1  64 GLN HA  1  67 LEU H    3.400     . 3.550 3.468 3.310 3.578 0.028 20 0 "[    .    1    .    2]" 1 
       415 1  64 GLN HA  1  67 LEU HB3  3.500     . 3.650 3.091 2.433 4.476 0.826 14 1 "[    .    1   +.    2]" 1 
       416 1  64 GLN QB  1  65 GLY H    2.700     . 4.700 2.475 2.302 2.680     .  0 0 "[    .    1    .    2]" 1 
       417 1  64 GLN O   1  68 ASP H    2.700     . 2.850 1.806 1.746 1.886     .  0 0 "[    .    1    .    2]" 1 
       418 1  64 GLN O   1  68 ASP N    3.700     . 3.850 2.780 2.720 2.865     .  0 0 "[    .    1    .    2]" 1 
       419 1  65 GLY QA  1  68 ASP H    4.400     . 4.550 3.602 3.469 3.780     .  0 0 "[    .    1    .    2]" 1 
       420 1  65 GLY QA  1  68 ASP HB3  4.500     . 4.650 3.080 2.351 4.418     .  0 0 "[    .    1    .    2]" 1 
       421 1  65 GLY HA2 1  69 THR H    2.400     . 3.800 2.743 2.704 2.785     .  0 0 "[    .    1    .    2]" 1 
       422 1  65 GLY HA3 1  66 VAL H    2.400     . 3.800 2.459 2.419 2.511     .  0 0 "[    .    1    .    2]" 1 
       423 1  65 GLY O   1  69 THR H    2.700     . 2.850 1.975 1.852 2.120     .  0 0 "[    .    1    .    2]" 1 
       424 1  65 GLY O   1  69 THR N    3.700     . 3.850 2.944 2.813 3.087     .  0 0 "[    .    1    .    2]" 1 
       425 1  66 VAL CB  1  70 GLY H    7.200 4.700 7.350 5.132 5.049 5.198     .  0 0 "[    .    1    .    2]" 1 
       426 1  66 VAL CB  1  91 PHE QD   7.400 4.900 7.550 5.846 4.761 6.903 0.139 10 0 "[    .    1    .    2]" 1 
       427 1  66 VAL CB  1  91 PHE QE   6.400 3.900 6.550 5.461 3.878 6.377 0.022  6 0 "[    .    1    .    2]" 1 
       428 1  66 VAL CB  1  91 PHE HZ   6.500 4.000 6.650 6.531 4.736 6.838 0.188  9 0 "[    .    1    .    2]" 1 
       429 1  66 VAL H   1  66 VAL HB   2.300     . 3.500 2.475 2.118 2.871     .  0 0 "[    .    1    .    2]" 1 
       430 1  66 VAL H   1  66 VAL MG1  2.400     . 3.800 3.590 2.802 3.790     .  0 0 "[    .    1    .    2]" 1 
       431 1  66 VAL HA  1  69 THR H    3.400     . 3.550 3.582 3.399 3.653 0.103 14 0 "[    .    1    .    2]" 1 
       432 1  66 VAL HA  1  69 THR H    2.400     . 3.800 2.700 2.647 2.726     .  0 0 "[    .    1    .    2]" 1 
       433 1  66 VAL HA  1  69 THR HB   3.500     . 3.650 3.013 2.579 3.267     .  0 0 "[    .    1    .    2]" 1 
       434 1  66 VAL HB  1  67 LEU H    2.700     . 4.700 2.582 2.190 3.492     .  0 0 "[    .    1    .    2]" 1 
       435 1  66 VAL O   1  70 GLY H    2.700     . 2.850 1.834 1.789 1.890     .  0 0 "[    .    1    .    2]" 1 
       436 1  66 VAL O   1  70 GLY N    3.700     . 3.850 2.808 2.767 2.868     .  0 0 "[    .    1    .    2]" 1 
       437 1  67 LEU H   1  67 LEU HA   2.500     . 4.100 2.764 2.740 2.788     .  0 0 "[    .    1    .    2]" 1 
       438 1  67 LEU H   1  68 ASP H    2.500     . 4.100 2.894 2.807 2.958     .  0 0 "[    .    1    .    2]" 1 
       439 1  67 LEU HA  1  70 GLY H    3.400     . 3.550 3.582 3.462 3.647 0.097  5 0 "[    .    1    .    2]" 1 
       440 1  67 LEU O   1  71 LYS H    2.700     . 2.850 1.980 1.873 2.192     .  0 0 "[    .    1    .    2]" 1 
       441 1  67 LEU O   1  71 LYS N    3.700     . 3.850 2.909 2.790 3.151     .  0 0 "[    .    1    .    2]" 1 
       442 1  68 ASP H   1  68 ASP HA   2.500     . 4.100 2.771 2.745 2.787     .  0 0 "[    .    1    .    2]" 1 
       443 1  68 ASP H   1  68 ASP HB2  2.400     . 3.800 2.566 2.082 3.600     .  0 0 "[    .    1    .    2]" 1 
       444 1  68 ASP H   1  68 ASP HB3  2.600     . 4.400 2.661 2.109 3.467     .  0 0 "[    .    1    .    2]" 1 
       445 1  68 ASP HA  1  71 LYS H    3.400     . 3.550 3.561 3.446 3.614 0.064  2 0 "[    .    1    .    2]" 1 
       446 1  68 ASP HA  1  71 LYS HB3  3.500     . 3.650 3.209 2.507 4.290 0.640  9 1 "[    .   +1    .    2]" 1 
       447 1  68 ASP HB2 1  69 THR H    2.700     . 4.700 3.644 2.815 4.003     .  0 0 "[    .    1    .    2]" 1 
       448 1  68 ASP HB3 1  69 THR H    2.900     . 5.300 2.710 2.350 4.089     .  0 0 "[    .    1    .    2]" 1 
       449 1  68 ASP O   1  72 LYS H    2.700     . 2.850 2.214 1.990 2.631     .  0 0 "[    .    1    .    2]" 1 
       450 1  68 ASP O   1  72 LYS N    3.700     . 3.850 3.104 2.802 3.509     .  0 0 "[    .    1    .    2]" 1 
       451 1  69 THR H   1  69 THR HB   2.400     . 3.800 2.681 2.328 2.832     .  0 0 "[    .    1    .    2]" 1 
       452 1  69 THR H   1  69 THR MG   2.900     . 5.300 3.734 3.679 3.759     .  0 0 "[    .    1    .    2]" 1 
       453 1  69 THR HA  1  72 LYS H    3.400     . 3.550 3.363 3.150 3.549     .  0 0 "[    .    1    .    2]" 1 
       454 1  69 THR HA  1  72 LYS HB2  3.500     . 3.650 2.704 2.246 3.378     .  0 0 "[    .    1    .    2]" 1 
       455 1  69 THR HB  1  70 GLY H    2.800     . 5.000 2.442 2.319 2.587     .  0 0 "[    .    1    .    2]" 1 
       456 1  69 THR MG  1  73 LEU H    2.700     . 4.700 4.118 3.847 4.475     .  0 0 "[    .    1    .    2]" 1 
       457 1  69 THR O   1  73 LEU H    2.700     . 2.850 2.148 1.857 2.587     .  0 0 "[    .    1    .    2]" 1 
       458 1  69 THR O   1  73 LEU N    3.700     . 3.850 3.079 2.719 3.507     .  0 0 "[    .    1    .    2]" 1 
       459 1  70 GLY H   1  70 GLY HA2  2.500     . 4.100 2.777 2.759 2.798     .  0 0 "[    .    1    .    2]" 1 
       460 1  70 GLY H   1  70 GLY HA3  2.700     . 4.700 2.306 2.297 2.315     .  0 0 "[    .    1    .    2]" 1 
       461 1  70 GLY H   1  73 LEU CD1  6.000 3.500 6.150 5.538 5.047 6.190 0.040 19 0 "[    .    1    .    2]" 1 
       462 1  70 GLY QA  1  73 LEU H    4.400     . 4.550 3.361 3.181 3.622     .  0 0 "[    .    1    .    2]" 1 
       463 1  70 GLY QA  1  73 LEU HB3  4.500     . 4.650 4.235 2.829 5.039 0.389 17 0 "[    .    1    .    2]" 1 
       464 1  70 GLY O   1  74 SER H    2.700     . 2.850 2.239 1.924 2.719     .  0 0 "[    .    1    .    2]" 1 
       465 1  70 GLY O   1  74 SER N    3.700     . 3.850 3.165 2.801 3.662     .  0 0 "[    .    1    .    2]" 1 
       466 1  71 LYS H   1  71 LYS HA   2.600     . 4.400 2.798 2.757 2.825     .  0 0 "[    .    1    .    2]" 1 
       467 1  71 LYS H   1  71 LYS QG   2.900     . 5.300 3.826 2.970 4.050     .  0 0 "[    .    1    .    2]" 1 
       468 1  71 LYS HA  1  74 SER H    3.400     . 3.550 3.482 3.162 3.616 0.066 19 0 "[    .    1    .    2]" 1 
       469 1  71 LYS HA  1  74 SER HB2  3.500     . 3.650 3.224 2.238 4.160 0.510 17 1 "[    .    1    . +  2]" 1 
       470 1  71 LYS QG  1  72 LYS H    2.700     . 4.700 4.075 2.937 4.504     .  0 0 "[    .    1    .    2]" 1 
       471 1  71 LYS O   1  75 ASP H    2.700     . 2.850 2.203 1.837 2.655     .  0 0 "[    .    1    .    2]" 1 
       472 1  71 LYS O   1  75 ASP N    3.700     . 3.850 3.128 2.786 3.600     .  0 0 "[    .    1    .    2]" 1 
       473 1  72 LYS H   1  72 LYS HA   2.600     . 4.400 2.799 2.752 2.833     .  0 0 "[    .    1    .    2]" 1 
       474 1  72 LYS H   1  72 LYS QB   2.200     . 3.300 2.167 2.054 2.557     .  0 0 "[    .    1    .    2]" 1 
       475 1  72 LYS HA  1  73 LEU H    2.500     . 4.100 2.674 2.645 2.716     .  0 0 "[    .    1    .    2]" 1 
       476 1  72 LYS HA  1  75 ASP H    3.400     . 3.550 3.446 3.150 3.584 0.034 17 0 "[    .    1    .    2]" 1 
       477 1  72 LYS HA  1  75 ASP QB   3.500     . 3.650 3.148 2.096 3.579     .  0 0 "[    .    1    .    2]" 1 
       478 1  72 LYS QB  1  73 LEU H    2.600     . 4.400 2.481 2.259 2.739     .  0 0 "[    .    1    .    2]" 1 
       479 1  74 SER H   1  74 SER HA   2.500     . 4.100 2.787 2.746 2.862     .  0 0 "[    .    1    .    2]" 1 
       480 1  74 SER H   1  74 SER QB   2.300     . 3.500 2.493 2.103 2.821     .  0 0 "[    .    1    .    2]" 1 
       481 1  74 SER QB  1  75 ASP H    2.800     . 5.000 2.491 2.198 3.236     .  0 0 "[    .    1    .    2]" 1 
       482 1  75 ASP H   1  75 ASP HA   2.800     . 5.000 2.780 2.684 2.838     .  0 0 "[    .    1    .    2]" 1 
       483 1  75 ASP H   1  75 ASP QB   2.400     . 3.800 2.526 2.032 2.812     .  0 0 "[    .    1    .    2]" 1 
       484 1  75 ASP HA  1  77 ASN H    2.800     . 5.000 4.432 3.481 5.037 0.037 13 0 "[    .    1    .    2]" 1 
       485 1  75 ASP QB  1  76 ASP H    2.400     . 3.800 2.645 2.119 3.360     .  0 0 "[    .    1    .    2]" 1 
       486 1  76 ASP H   1  76 ASP HA   2.500     . 4.100 2.865 2.594 2.942     .  0 0 "[    .    1    .    2]" 1 
       487 1  76 ASP HA  1  76 ASP HB2  2.500     . 4.100 2.793 2.431 3.032     .  0 0 "[    .    1    .    2]" 1 
       488 1  76 ASP HA  1  76 ASP HB3  2.500     . 4.100 2.408 2.231 2.948     .  0 0 "[    .    1    .    2]" 1 
       489 1  78 THR H   1  78 THR HA   2.700     . 4.700 2.720 2.267 2.951     .  0 0 "[    .    1    .    2]" 1 
       490 1  78 THR H   1  78 THR HA   2.700     . 4.700 2.555 2.245 2.831     .  0 0 "[    .    1    .    2]" 1 
       491 1  78 THR HA  1  81 LYS H    2.200     . 3.300 2.441 2.310 2.528     .  0 0 "[    .    1    .    2]" 1 
       492 1  78 THR HA  1  79 ILE H    2.300     . 3.500 2.455 1.977 2.821     .  0 0 "[    .    1    .    2]" 1 
       493 1  79 ILE H   1  79 ILE HB   2.400     . 3.800 3.005 2.568 3.661     .  0 0 "[    .    1    .    2]" 1 
       494 1  79 ILE H   1  79 ILE MD   2.800     . 5.000 2.657 1.760 3.663     .  0 0 "[    .    1    .    2]" 1 
       495 1  79 ILE H   1  79 ILE HG12 2.900     . 5.300 3.161 1.775 4.704     .  0 0 "[    .    1    .    2]" 1 
       496 1  79 ILE H   1  79 ILE HG13 2.700     . 4.700 2.978 1.931 4.682     .  0 0 "[    .    1    .    2]" 1 
       497 1  79 ILE HA  1  80 GLY H    2.100     . 3.000 2.067 1.942 2.393     .  0 0 "[    .    1    .    2]" 1 
       498 1  79 ILE MG  1  80 GLY H    2.900     . 5.300 3.429 1.843 4.281     .  0 0 "[    .    1    .    2]" 1 
       499 1  80 GLY HA2 1  82 GLU H    2.500     . 4.100 2.700 2.617 2.734     .  0 0 "[    .    1    .    2]" 1 
       500 1  81 LYS H   1  81 LYS HA   2.500     . 4.100 2.692 2.645 2.796     .  0 0 "[    .    1    .    2]" 1 
       501 1  81 LYS H   1  81 LYS QB   2.400     . 3.800 2.371 2.054 2.657     .  0 0 "[    .    1    .    2]" 1 
       502 1  81 LYS H   1  82 GLU H    2.600     . 4.400 2.914 2.489 3.184     .  0 0 "[    .    1    .    2]" 1 
       503 1  81 LYS H   1  84 ILE MD   6.000 3.500 6.150 4.784 3.459 6.174 0.041 11 0 "[    .    1    .    2]" 1 
       504 1  81 LYS HA  1  84 ILE H    3.400     . 3.550 3.460 3.137 3.629 0.079 11 0 "[    .    1    .    2]" 1 
       505 1  81 LYS HA  1  84 ILE HB   3.500     . 3.650 2.782 2.343 3.407     .  0 0 "[    .    1    .    2]" 1 
       506 1  81 LYS O   1  85 GLN H    2.700     . 2.850 1.879 1.748 2.046     .  0 0 "[    .    1    .    2]" 1 
       507 1  81 LYS O   1  85 GLN N    3.700     . 3.850 2.836 2.683 2.982     .  0 0 "[    .    1    .    2]" 1 
       508 1  82 GLU H   1  82 GLU QB   2.300     . 3.500 2.544 2.140 2.930     .  0 0 "[    .    1    .    2]" 1 
       509 1  82 GLU H   1  83 GLU H    2.500     . 4.100 2.935 2.756 3.152     .  0 0 "[    .    1    .    2]" 1 
       510 1  82 GLU HA  1  85 GLN H    2.900     . 5.300 3.424 3.332 3.488     .  0 0 "[    .    1    .    2]" 1 
       511 1  82 GLU HA  1  85 GLN H    3.400     . 3.550 3.544 3.435 3.625 0.075 15 0 "[    .    1    .    2]" 1 
       512 1  82 GLU HA  1  85 GLN HB3  3.500     . 3.650 3.582 2.579 4.426 0.776  4 5 "[   +.   *1 -  *  * 2]" 1 
       513 1  82 GLU HB2 1  83 GLU H    2.200     . 3.300 2.081 1.891 2.300     .  0 0 "[    .    1    .    2]" 1 
       514 1  82 GLU O   1  86 GLN H    2.700     . 2.850 2.088 1.886 2.402     .  0 0 "[    .    1    .    2]" 1 
       515 1  82 GLU O   1  86 GLN N    3.700     . 3.850 3.030 2.790 3.329     .  0 0 "[    .    1    .    2]" 1 
       516 1  83 GLU HA  1  86 GLN H    3.400     . 3.550 3.533 3.444 3.579 0.029 17 0 "[    .    1    .    2]" 1 
       517 1  83 GLU HA  1  86 GLN QB   3.500     . 3.650 2.914 2.609 3.383     .  0 0 "[    .    1    .    2]" 1 
       518 1  83 GLU QB  1  84 ILE H    2.800     . 5.000 2.569 2.307 3.389     .  0 0 "[    .    1    .    2]" 1 
       519 1  83 GLU O   1  87 ARG H    2.700     . 2.850 2.060 1.910 2.398     .  0 0 "[    .    1    .    2]" 1 
       520 1  83 GLU O   1  87 ARG N    3.700     . 3.850 3.022 2.883 3.360     .  0 0 "[    .    1    .    2]" 1 
       521 1  84 ILE H   1  84 ILE HA   2.800     . 5.000 2.782 2.754 2.804     .  0 0 "[    .    1    .    2]" 1 
       522 1  84 ILE H   1  84 ILE HB   2.500     . 4.100 2.573 2.363 2.772     .  0 0 "[    .    1    .    2]" 1 
       523 1  84 ILE HA  1  87 ARG H    3.400     . 3.550 3.487 3.286 3.585 0.035 16 0 "[    .    1    .    2]" 1 
       524 1  84 ILE HA  1  87 ARG HB2  3.500     . 3.650 3.061 2.609 3.654 0.004 14 0 "[    .    1    .    2]" 1 
       525 1  84 ILE HB  1  85 GLN H    2.500     . 4.100 2.473 2.321 2.605     .  0 0 "[    .    1    .    2]" 1 
       526 1  84 ILE O   1  88 LEU H    2.700     . 2.850 1.792 1.735 1.860     .  0 0 "[    .    1    .    2]" 1 
       527 1  84 ILE O   1  88 LEU N    3.700     . 3.850 2.765 2.700 2.831     .  0 0 "[    .    1    .    2]" 1 
       528 1  85 GLN H   1  85 GLN HA   2.500     . 4.100 2.767 2.752 2.782     .  0 0 "[    .    1    .    2]" 1 
       529 1  85 GLN H   1  85 GLN QB   2.400     . 3.800 2.132 2.041 2.348     .  0 0 "[    .    1    .    2]" 1 
       530 1  85 GLN H   1  85 GLN HG2  2.700     . 4.700 4.155 2.431 4.642     .  0 0 "[    .    1    .    2]" 1 
       531 1  85 GLN H   1  85 GLN HG3  2.700     . 4.700 4.123 3.318 4.623     .  0 0 "[    .    1    .    2]" 1 
       532 1  85 GLN HA  1  86 GLN H    2.400     . 3.800 2.611 2.584 2.635     .  0 0 "[    .    1    .    2]" 1 
       533 1  85 GLN HA  1  88 LEU H    3.400     . 3.550 3.564 3.400 3.615 0.065 13 0 "[    .    1    .    2]" 1 
       534 1  85 GLN HA  1  88 LEU HB3  3.500     . 3.650 2.930 2.340 4.239 0.589  2 1 "[ +  .    1    .    2]" 1 
       535 1  85 GLN HG3 1  86 GLN H    2.800     . 5.000 3.020 2.016 3.897     .  0 0 "[    .    1    .    2]" 1 
       536 1  85 GLN O   1  89 ALA H    2.700     . 2.850 1.917 1.829 2.034     .  0 0 "[    .    1    .    2]" 1 
       537 1  85 GLN O   1  89 ALA N    3.700     . 3.850 2.817 2.665 2.963     .  0 0 "[    .    1    .    2]" 1 
       538 1  86 GLN H   1  86 GLN QB   2.100     . 3.000 1.996 1.851 2.176     .  0 0 "[    .    1    .    2]" 1 
       539 1  86 GLN HA  1  89 ALA H    3.400     . 3.550 3.548 3.383 3.627 0.077 16 0 "[    .    1    .    2]" 1 
       540 1  86 GLN HA  1  89 ALA MB   3.500     . 3.650 2.653 2.276 2.966     .  0 0 "[    .    1    .    2]" 1 
       541 1  86 GLN O   1  90 GLN H    2.700     . 2.850 2.316 1.960 2.849     .  0 0 "[    .    1    .    2]" 1 
       542 1  86 GLN O   1  90 GLN N    3.700     . 3.850 3.133 2.765 3.594     .  0 0 "[    .    1    .    2]" 1 
       543 1  87 ARG HA  1  88 LEU H    2.600     . 4.400 2.693 2.672 2.726     .  0 0 "[    .    1    .    2]" 1 
       544 1  87 ARG HA  1  90 GLN H    2.600     . 4.400 3.011 2.975 3.095     .  0 0 "[    .    1    .    2]" 1 
       545 1  87 ARG HA  1  90 GLN H    3.400     . 3.550 3.457 3.329 3.624 0.074 10 0 "[    .    1    .    2]" 1 
       546 1  87 ARG HA  1  90 GLN HB2  3.500     . 3.650 3.106 2.316 4.211 0.561 16 1 "[    .    1    .+   2]" 1 
       547 1  87 ARG QB  1  88 LEU H    2.300     . 3.500 2.438 2.323 2.633     .  0 0 "[    .    1    .    2]" 1 
       548 1  87 ARG O   1  91 PHE H    2.700     . 2.850 2.267 1.919 2.812     .  0 0 "[    .    1    .    2]" 1 
       549 1  87 ARG O   1  91 PHE N    3.700     . 3.850 3.185 2.787 3.703     .  0 0 "[    .    1    .    2]" 1 
       550 1  88 LEU H   1  88 LEU QB   2.800     . 5.000 2.169 2.047 2.235     .  0 0 "[    .    1    .    2]" 1 
       551 1  88 LEU H   1  89 ALA H    2.500     . 4.100 2.717 2.574 2.810     .  0 0 "[    .    1    .    2]" 1 
       552 1  88 LEU HA  1  91 PHE H    3.400     . 3.550 3.318 3.069 3.452     .  0 0 "[    .    1    .    2]" 1 
       553 1  88 LEU HA  1  91 PHE HB3  3.500     . 3.650 2.982 2.592 3.330     .  0 0 "[    .    1    .    2]" 1 
       554 1  88 LEU QD  1  92 VAL H    2.800     . 5.000 3.887 3.081 4.728     .  0 0 "[    .    1    .    2]" 1 
       555 1  88 LEU O   1  92 VAL H    2.700     . 2.850 2.146 1.966 2.408     .  0 0 "[    .    1    .    2]" 1 
       556 1  88 LEU O   1  92 VAL N    3.700     . 3.850 3.109 2.941 3.362     .  0 0 "[    .    1    .    2]" 1 
       557 1  89 ALA H   1  89 ALA MB   2.200     . 3.300 2.203 2.061 2.242     .  0 0 "[    .    1    .    2]" 1 
       558 1  89 ALA HA  1  92 VAL H    3.400     . 3.550 3.569 3.462 3.614 0.064 18 0 "[    .    1    .    2]" 1 
       559 1  89 ALA HA  1  92 VAL HB   3.500     . 3.650 3.326 2.783 3.677 0.027 14 0 "[    .    1    .    2]" 1 
       560 1  89 ALA MB  1  90 GLN H    2.400     . 3.800 2.689 2.510 2.865     .  0 0 "[    .    1    .    2]" 1 
       561 1  89 ALA O   1  93 ASP H    2.700     . 2.850 2.180 1.952 2.421     .  0 0 "[    .    1    .    2]" 1 
       562 1  89 ALA O   1  93 ASP N    3.700     . 3.850 3.140 2.856 3.371     .  0 0 "[    .    1    .    2]" 1 
       563 1  90 GLN H   1  90 GLN HA   2.400     . 3.800 2.837 2.804 2.863     .  0 0 "[    .    1    .    2]" 1 
       564 1  90 GLN H   1  90 GLN QB   2.500     . 4.100 2.235 2.050 2.659     .  0 0 "[    .    1    .    2]" 1 
       565 1  90 GLN H   1  90 GLN QG   2.600     . 4.400 3.301 2.044 4.082     .  0 0 "[    .    1    .    2]" 1 
       566 1  90 GLN HA  1  93 ASP H    3.400     . 3.550 3.517 3.407 3.624 0.074 18 0 "[    .    1    .    2]" 1 
       567 1  90 GLN HA  1  93 ASP HB3  3.500     . 3.650 2.759 2.349 3.274     .  0 0 "[    .    1    .    2]" 1 
       568 1  90 GLN O   1  94 HIS H    2.700     . 2.850 1.985 1.818 2.208     .  0 0 "[    .    1    .    2]" 1 
       569 1  90 GLN O   1  94 HIS N    3.700     . 3.850 2.955 2.768 3.170     .  0 0 "[    .    1    .    2]" 1 
       570 1  91 PHE H   1  91 PHE HA   2.900     . 5.300 2.783 2.748 2.813     .  0 0 "[    .    1    .    2]" 1 
       571 1  91 PHE H   1  91 PHE QB   2.500     . 4.100 2.237 2.155 2.313     .  0 0 "[    .    1    .    2]" 1 
       572 1  91 PHE H   1  91 PHE HB3  2.500     . 4.100 2.559 2.295 2.804     .  0 0 "[    .    1    .    2]" 1 
       573 1  91 PHE HA  1  91 PHE HB3  2.500     . 4.100 3.029 3.010 3.038     .  0 0 "[    .    1    .    2]" 1 
       574 1  91 PHE HA  1  94 HIS H    2.800     . 5.000 3.190 3.129 3.237     .  0 0 "[    .    1    .    2]" 1 
       575 1  91 PHE HA  1  94 HIS H    3.400     . 3.550 3.599 3.470 3.709 0.159 18 0 "[    .    1    .    2]" 1 
       576 1  91 PHE HA  1  94 HIS HB2  3.500     . 3.650 2.880 2.590 3.597     .  0 0 "[    .    1    .    2]" 1 
       577 1  91 PHE HB2 1  92 VAL H    2.600     . 4.400 2.711 2.674 2.737     .  0 0 "[    .    1    .    2]" 1 
       578 1  91 PHE HB3 1  92 VAL H    2.600     . 4.400 2.430 2.216 2.588     .  0 0 "[    .    1    .    2]" 1 
       579 1  91 PHE O   1  95 TRP H    2.700     . 2.850 1.901 1.791 2.143     .  0 0 "[    .    1    .    2]" 1 
       580 1  91 PHE O   1  95 TRP N    3.700     . 3.850 2.876 2.768 3.115     .  0 0 "[    .    1    .    2]" 1 
       581 1  92 VAL H   1  92 VAL HB   2.300     . 3.500 2.689 2.245 3.023     .  0 0 "[    .    1    .    2]" 1 
       582 1  92 VAL H   1  92 VAL QG   2.500     . 4.100 2.036 1.787 2.727     .  0 0 "[    .    1    .    2]" 1 
       583 1  92 VAL H   1  93 ASP H    2.500     . 4.100 2.844 2.711 2.929     .  0 0 "[    .    1    .    2]" 1 
       584 1  92 VAL HA  1  95 TRP H    3.400     . 3.550 3.559 3.406 3.685 0.135 18 0 "[    .    1    .    2]" 1 
       585 1  92 VAL HA  1  95 TRP HB3  3.500     . 3.650 2.759 2.123 3.173     .  0 0 "[    .    1    .    2]" 1 
       586 1  92 VAL QG  1  93 ASP HA   2.600     . 4.400 3.518 2.878 4.016     .  0 0 "[    .    1    .    2]" 1 
       587 1  92 VAL O   1  96 LYS H    2.700     . 2.850 1.810 1.702 2.001     .  0 0 "[    .    1    .    2]" 1 
       588 1  92 VAL O   1  96 LYS N    3.700     . 3.850 2.743 2.561 2.927     .  0 0 "[    .    1    .    2]" 1 
       589 1  93 ASP H   1  93 ASP HA   2.500     . 4.100 2.769 2.741 2.797     .  0 0 "[    .    1    .    2]" 1 
       590 1  93 ASP H   1  93 ASP HB2  2.400     . 3.800 3.130 2.674 3.616     .  0 0 "[    .    1    .    2]" 1 
       591 1  93 ASP H   1  93 ASP HB3  2.600     . 4.400 2.461 2.177 2.894     .  0 0 "[    .    1    .    2]" 1 
       592 1  93 ASP HA  1  96 LYS H    3.400     . 3.550 3.539 3.435 3.628 0.078 11 0 "[    .    1    .    2]" 1 
       593 1  93 ASP HA  1  96 LYS QB   2.600     . 4.400 2.652 2.231 3.558     .  0 0 "[    .    1    .    2]" 1 
       594 1  93 ASP HA  1  96 LYS HB3  3.500     . 3.650 3.090 2.283 4.625 0.975  4 3 "[   +.   -1   *.    2]" 1 
       595 1  93 ASP HA  1  96 LYS QG   2.500     . 4.100 3.539 1.977 4.187 0.087 13 0 "[    .    1    .    2]" 1 
       596 1  93 ASP HB2 1  94 HIS H    2.700     . 4.700 3.768 2.959 4.016     .  0 0 "[    .    1    .    2]" 1 
       597 1  93 ASP HB3 1  94 HIS H    2.900     . 5.300 2.510 2.312 2.794     .  0 0 "[    .    1    .    2]" 1 
       598 1  93 ASP O   1  97 GLU H    2.700     . 2.850 2.120 1.885 2.511     .  0 0 "[    .    1    .    2]" 1 
       599 1  93 ASP O   1  97 GLU N    3.700     . 3.850 3.067 2.843 3.466     .  0 0 "[    .    1    .    2]" 1 
       600 1  94 HIS H   1  94 HIS HA   2.600     . 4.400 2.781 2.754 2.847     .  0 0 "[    .    1    .    2]" 1 
       601 1  94 HIS H   1  94 HIS QB   2.800     . 5.000 2.357 2.069 2.597     .  0 0 "[    .    1    .    2]" 1 
       602 1  94 HIS HA  1  97 GLU H    3.400     . 3.550 3.599 3.503 3.695 0.145 18 0 "[    .    1    .    2]" 1 
       603 1  94 HIS HA  1  97 GLU QB   3.500     . 3.650 3.130 2.583 3.600     .  0 0 "[    .    1    .    2]" 1 
       604 1  94 HIS HA  1  98 LEU H    2.700     . 4.700 4.379 4.158 4.640     .  0 0 "[    .    1    .    2]" 1 
       605 1  94 HIS QB  1  95 TRP H    2.400     . 3.800 2.280 2.148 2.477     .  0 0 "[    .    1    .    2]" 1 
       606 1  94 HIS QB  1  96 LYS H    2.600     . 4.400 4.515 4.455 4.574 0.174 11 0 "[    .    1    .    2]" 1 
       607 1  94 HIS O   1  98 LEU H    2.700     . 2.850 2.109 1.933 2.314     .  0 0 "[    .    1    .    2]" 1 
       608 1  94 HIS O   1  98 LEU N    3.700     . 3.850 3.065 2.888 3.265     .  0 0 "[    .    1    .    2]" 1 
       609 1  95 TRP H   1  95 TRP QB   2.800     . 5.000 2.240 2.191 2.283     .  0 0 "[    .    1    .    2]" 1 
       610 1  95 TRP HA  1  98 LEU H    3.400     . 3.550 3.453 3.147 3.590 0.040  3 0 "[    .    1    .    2]" 1 
       611 1  95 TRP HA  1  98 LEU HB2  3.500     . 3.650 2.776 2.302 3.616     .  0 0 "[    .    1    .    2]" 1 
       612 1  95 TRP QB  1  96 LYS H    2.500     . 4.100 2.531 2.366 2.798     .  0 0 "[    .    1    .    2]" 1 
       613 1  95 TRP QB  1  98 LEU H    2.900     . 5.300 4.611 4.456 4.691     .  0 0 "[    .    1    .    2]" 1 
       614 1  95 TRP HE1 1  99 LYS QB   5.000 2.500 5.150 4.639 4.162 5.161 0.011 11 0 "[    .    1    .    2]" 1 
       615 1  95 TRP HZ2 1  99 LYS QB   5.000 2.500 5.150 5.184 4.984 5.283 0.133  4 0 "[    .    1    .    2]" 1 
       616 1  95 TRP O   1  99 LYS H    2.700     . 2.850 1.875 1.780 1.983     .  0 0 "[    .    1    .    2]" 1 
       617 1  95 TRP O   1  99 LYS N    3.700     . 3.850 2.823 2.692 2.949     .  0 0 "[    .    1    .    2]" 1 
       618 1  96 LYS H   1  96 LYS QB   2.400     . 3.800 2.264 2.053 2.780     .  0 0 "[    .    1    .    2]" 1 
       619 1  96 LYS HA  1  99 LYS H    3.400     . 3.550 3.538 3.411 3.603 0.053 17 0 "[    .    1    .    2]" 1 
       620 1  96 LYS HA  1  99 LYS HB3  3.500     . 3.650 3.414 2.617 4.162 0.512 17 1 "[    .    1    . +  2]" 1 
       621 1  96 LYS O   1 100 GLN H    2.700     . 2.850 1.986 1.833 2.382     .  0 0 "[    .    1    .    2]" 1 
       622 1  96 LYS O   1 100 GLN N    3.700     . 3.850 2.951 2.785 3.350     .  0 0 "[    .    1    .    2]" 1 
       623 1  97 GLU H   1  97 GLU QB   2.300     . 3.500 2.253 2.038 2.656     .  0 0 "[    .    1    .    2]" 1 
       624 1  97 GLU H   1  97 GLU QG   2.900     . 5.300 3.307 1.935 4.065     .  0 0 "[    .    1    .    2]" 1 
       625 1  97 GLU HA  1  98 LEU H    2.600     . 4.400 2.693 2.681 2.709     .  0 0 "[    .    1    .    2]" 1 
       626 1  97 GLU HA  1 100 GLN H    3.400     . 3.550 3.551 3.466 3.603 0.053  5 0 "[    .    1    .    2]" 1 
       627 1  97 GLU HA  1 100 GLN HB2  3.500     . 3.650 3.028 2.373 4.413 0.763  1 1 "[+   .    1    .    2]" 1 
       628 1  97 GLU QB  1  98 LEU H    2.500     . 4.100 2.715 2.313 3.417     .  0 0 "[    .    1    .    2]" 1 
       629 1  97 GLU QB  1  99 LYS H    2.800     . 5.000 4.172 3.977 4.483     .  0 0 "[    .    1    .    2]" 1 
       630 1  97 GLU QG  1  98 LEU H    2.400     . 3.800 3.003 1.761 4.029 0.229  3 0 "[    .    1    .    2]" 1 
       631 1  97 GLU O   1 101 LEU H    2.700     . 2.850 1.925 1.806 2.021     .  0 0 "[    .    1    .    2]" 1 
       632 1  97 GLU O   1 101 LEU N    3.700     . 3.850 2.900 2.773 2.999     .  0 0 "[    .    1    .    2]" 1 
       633 1  98 LEU HA  1 101 LEU H    3.400     . 3.550 3.565 3.491 3.615 0.065  3 0 "[    .    1    .    2]" 1 
       634 1  98 LEU HA  1 101 LEU HB2  3.500     . 3.650 3.038 2.459 3.687 0.037 13 0 "[    .    1    .    2]" 1 
       635 1  98 LEU HB3 1  99 LYS H    2.300     . 3.500 2.039 1.934 2.165     .  0 0 "[    .    1    .    2]" 1 
       636 1  98 LEU O   1 102 ALA H    2.700     . 2.850 1.920 1.792 2.004     .  0 0 "[    .    1    .    2]" 1 
       637 1  98 LEU O   1 102 ALA N    3.700     . 3.850 2.878 2.735 2.970     .  0 0 "[    .    1    .    2]" 1 
       638 1  99 LYS H   1  99 LYS HA   2.600     . 4.400 2.787 2.763 2.809     .  0 0 "[    .    1    .    2]" 1 
       639 1  99 LYS H   1  99 LYS QG   2.500     . 4.100 3.656 3.174 4.054     .  0 0 "[    .    1    .    2]" 1 
       640 1  99 LYS HA  1 102 ALA H    3.400     . 3.550 3.559 3.511 3.596 0.046  5 0 "[    .    1    .    2]" 1 
       641 1  99 LYS HA  1 102 ALA MB   3.500     . 3.650 2.680 2.438 2.796     .  0 0 "[    .    1    .    2]" 1 
       642 1  99 LYS QB  1 100 GLN H    2.400     . 3.800 2.512 2.296 2.671     .  0 0 "[    .    1    .    2]" 1 
       643 1  99 LYS O   1 103 ALA H    2.700     . 2.850 2.018 1.866 2.222     .  0 0 "[    .    1    .    2]" 1 
       644 1  99 LYS O   1 103 ALA N    3.700     . 3.850 2.969 2.806 3.183     .  0 0 "[    .    1    .    2]" 1 
       645 1 100 GLN H   1 100 GLN HG2  2.800     . 5.000 3.848 2.163 4.585     .  0 0 "[    .    1    .    2]" 1 
       646 1 100 GLN HA  1 101 LEU H    2.500     . 4.100 2.677 2.658 2.697     .  0 0 "[    .    1    .    2]" 1 
       647 1 100 GLN HA  1 103 ALA H    3.400     . 3.550 3.541 3.406 3.576 0.026 17 0 "[    .    1    .    2]" 1 
       648 1 100 GLN HA  1 103 ALA MB   3.500     . 3.650 2.807 2.577 2.972     .  0 0 "[    .    1    .    2]" 1 
       649 1 100 GLN QB  1 101 LEU H    2.600     . 4.400 2.416 2.205 3.167     .  0 0 "[    .    1    .    2]" 1 
       650 1 100 GLN O   1 104 ALA H    2.700     . 2.850 2.062 1.935 2.220     .  0 0 "[    .    1    .    2]" 1 
       651 1 100 GLN O   1 104 ALA N    3.700     . 3.850 3.018 2.880 3.171     .  0 0 "[    .    1    .    2]" 1 
       652 1 101 LEU H   1 101 LEU HB2  2.600     . 4.400 2.309 2.063 2.699     .  0 0 "[    .    1    .    2]" 1 
       653 1 101 LEU H   1 101 LEU HB3  2.400     . 3.800 3.044 2.302 3.593     .  0 0 "[    .    1    .    2]" 1 
       654 1 101 LEU H   1 101 LEU QD   2.800     . 5.000 3.329 2.267 3.752     .  0 0 "[    .    1    .    2]" 1 
       655 1 101 LEU HA  1 104 ALA H    3.400     . 3.550 3.529 3.407 3.598 0.048 20 0 "[    .    1    .    2]" 1 
       656 1 101 LEU HA  1 104 ALA MB   3.500     . 3.650 2.748 2.507 2.933     .  0 0 "[    .    1    .    2]" 1 
       657 1 101 LEU O   1 105 ARG H    2.700     . 2.850 1.991 1.840 2.192     .  0 0 "[    .    1    .    2]" 1 
       658 1 101 LEU O   1 105 ARG N    3.700     . 3.850 2.929 2.767 3.132     .  0 0 "[    .    1    .    2]" 1 
       659 1 102 ALA H   1 102 ALA MB   2.000     . 2.800 1.771 1.729 1.805     .  0 0 "[    .    1    .    2]" 1 
       660 1 102 ALA HA  1 105 ARG H    2.400     . 3.800 2.601 2.558 2.626     .  0 0 "[    .    1    .    2]" 1 
       661 1 102 ALA HA  1 105 ARG H    3.400     . 3.550 3.493 3.300 3.588 0.038  8 0 "[    .    1    .    2]" 1 
       662 1 102 ALA HA  1 105 ARG HB2  3.500     . 3.650 2.979 2.455 4.005 0.355 19 0 "[    .    1    .    2]" 1 
       663 1 102 ALA O   1 106 GLY H    2.700     . 2.850 2.125 1.892 2.416     .  0 0 "[    .    1    .    2]" 1 
       664 1 102 ALA O   1 106 GLY N    3.700     . 3.850 3.047 2.815 3.356     .  0 0 "[    .    1    .    2]" 1 
       665 1 103 ALA HA  1 106 GLY H    3.400     . 3.550 3.526 3.379 3.591 0.041  3 0 "[    .    1    .    2]" 1 
       666 1 103 ALA O   1 107 GLN H    2.700     . 2.850 2.287 1.986 2.665     .  0 0 "[    .    1    .    2]" 1 
       667 1 103 ALA O   1 107 GLN N    3.700     . 3.850 3.168 2.882 3.561     .  0 0 "[    .    1    .    2]" 1 
       668 1 104 ALA HA  1 107 GLN H    3.400     . 3.550 3.427 3.136 3.621 0.071  8 0 "[    .    1    .    2]" 1 
       669 1 104 ALA HA  1 107 GLN H    2.400     . 3.800 2.700 2.632 2.755     .  0 0 "[    .    1    .    2]" 1 
       670 1 104 ALA HA  1 107 GLN HB2  3.500     . 3.650 3.012 2.248 3.717 0.067  2 0 "[    .    1    .    2]" 1 
       671 1 104 ALA MB  1 105 ARG H    2.400     . 3.800 2.455 2.310 2.600     .  0 0 "[    .    1    .    2]" 1 
       672 1 105 ARG H   1 105 ARG QB   2.300     . 3.500 2.191 2.036 2.639     .  0 0 "[    .    1    .    2]" 1 
       673 1 105 ARG QB  1 106 GLY H    2.800     . 5.000 2.577 2.306 2.805     .  0 0 "[    .    1    .    2]" 1 
       674 1 106 GLY H   1 106 GLY HA2  2.300     . 3.500 2.806 2.760 2.860     .  0 0 "[    .    1    .    2]" 1 
       675 1 106 GLY H   1 106 GLY HA3  2.500     . 4.100 2.301 2.291 2.312     .  0 0 "[    .    1    .    2]" 1 
       676 1 106 GLY HA2 1 107 GLN H    2.800     . 5.000 3.526 3.492 3.573     .  0 0 "[    .    1    .    2]" 1 
       677 1 107 GLN H   1 107 GLN QB   2.300     . 3.500 2.279 2.029 2.559     .  0 0 "[    .    1    .    2]" 1 
       678 1 107 GLN H   1 107 GLN QG   2.700     . 4.700 3.173 2.121 3.994     .  0 0 "[    .    1    .    2]" 1 
    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 1:35:55 PM GMT (wattos1)