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
452434 2v6z 7419 cing 4-filtered-FRED Wattos check violation distance


data_2v6z


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              843
    _Distance_constraint_stats_list.Viol_count                    1147
    _Distance_constraint_stats_list.Viol_total                    545.087
    _Distance_constraint_stats_list.Viol_max                      0.169
    _Distance_constraint_stats_list.Viol_rms                      0.0081
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0016
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0238
    _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 25 MET 1.276 0.128 15 0 "[    .    1    .    2]" 
       1 26 ALA 0.869 0.128 15 0 "[    .    1    .    2]" 
       1 27 PRO 0.094 0.033  5 0 "[    .    1    .    2]" 
       1 28 GLU 0.103 0.044 14 0 "[    .    1    .    2]" 
       1 29 ARG 0.002 0.002  4 0 "[    .    1    .    2]" 
       1 30 LEU 0.853 0.169 17 0 "[    .    1    .    2]" 
       1 31 ARG 0.617 0.091  7 0 "[    .    1    .    2]" 
       1 32 SER 0.139 0.044 14 0 "[    .    1    .    2]" 
       1 33 ARG 0.292 0.045 16 0 "[    .    1    .    2]" 
       1 34 ALA 0.317 0.043  2 0 "[    .    1    .    2]" 
       1 35 LEU 1.496 0.078 10 0 "[    .    1    .    2]" 
       1 36 SER 0.202 0.030  8 0 "[    .    1    .    2]" 
       1 37 ALA 0.814 0.043  2 0 "[    .    1    .    2]" 
       1 38 PHE 1.340 0.078 10 0 "[    .    1    .    2]" 
       1 39 LYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 40 LEU 0.425 0.027 18 0 "[    .    1    .    2]" 
       1 41 ARG 1.170 0.082  4 0 "[    .    1    .    2]" 
       1 42 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 43 LEU 0.713 0.055  9 0 "[    .    1    .    2]" 
       1 44 LEU 0.063 0.021  5 0 "[    .    1    .    2]" 
       1 45 LEU 0.226 0.040  1 0 "[    .    1    .    2]" 
       1 46 ARG 0.320 0.060  6 0 "[    .    1    .    2]" 
       1 47 GLY 1.554 0.132  1 0 "[    .    1    .    2]" 
       1 48 GLU 0.072 0.031  9 0 "[    .    1    .    2]" 
       1 49 ALA 0.624 0.038  9 0 "[    .    1    .    2]" 
       1 50 ILE 1.895 0.132  1 0 "[    .    1    .    2]" 
       1 51 LYS 1.431 0.075 17 0 "[    .    1    .    2]" 
       1 52 TYR 0.964 0.050 11 0 "[    .    1    .    2]" 
       1 53 LEU 0.712 0.050 11 0 "[    .    1    .    2]" 
       1 54 THR 0.851 0.075 17 0 "[    .    1    .    2]" 
       1 55 GLU 0.029 0.017  8 0 "[    .    1    .    2]" 
       1 56 ALA 0.018 0.010  4 0 "[    .    1    .    2]" 
       1 57 LEU 0.218 0.032  8 0 "[    .    1    .    2]" 
       1 58 GLN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 59 SER 0.008 0.008 15 0 "[    .    1    .    2]" 
       1 60 ILE 1.569 0.055  6 0 "[    .    1    .    2]" 
       1 61 SER 1.273 0.055  6 0 "[    .    1    .    2]" 
       1 62 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 63 LEU 0.669 0.105 15 0 "[    .    1    .    2]" 
       1 64 GLU 1.308 0.052  4 0 "[    .    1    .    2]" 
       1 65 LEU 1.531 0.105 15 0 "[    .    1    .    2]" 
       1 66 GLU 1.207 0.069  7 0 "[    .    1    .    2]" 
       1 67 ASP 0.119 0.016 12 0 "[    .    1    .    2]" 
       1 68 LYS 0.585 0.036  9 0 "[    .    1    .    2]" 
       1 69 LEU 0.178 0.039  1 0 "[    .    1    .    2]" 
       1 70 GLU 0.109 0.016 12 0 "[    .    1    .    2]" 
       1 71 LYS 0.979 0.055 16 0 "[    .    1    .    2]" 
       1 72 ILE 1.278 0.055 16 0 "[    .    1    .    2]" 
       1 73 ILE 0.688 0.049 11 0 "[    .    1    .    2]" 
       1 74 ASN 0.097 0.023 19 0 "[    .    1    .    2]" 
       1 75 ALA 0.888 0.055 15 0 "[    .    1    .    2]" 
       1 76 VAL 0.929 0.042  6 0 "[    .    1    .    2]" 
       1 77 GLU 0.618 0.055 15 0 "[    .    1    .    2]" 
       1 78 LYS 0.066 0.020  3 0 "[    .    1    .    2]" 
       1 79 GLN 1.042 0.064 13 0 "[    .    1    .    2]" 
       1 80 PRO 1.003 0.090 11 0 "[    .    1    .    2]" 
       1 81 LEU 0.786 0.109 10 0 "[    .    1    .    2]" 
       1 82 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 83 SER 0.436 0.109 10 0 "[    .    1    .    2]" 
       1 84 ASN 0.853 0.069 19 0 "[    .    1    .    2]" 
       1 85 MET 1.742 0.069 19 0 "[    .    1    .    2]" 
       1 86 ILE 0.399 0.033  9 0 "[    .    1    .    2]" 
       1 87 GLU 0.766 0.051  9 0 "[    .    1    .    2]" 
       1 88 ARG 1.465 0.113 15 0 "[    .    1    .    2]" 
       1 89 SER 0.709 0.113 15 0 "[    .    1    .    2]" 
       1 90 VAL 1.671 0.066 18 0 "[    .    1    .    2]" 
       1 91 VAL 0.790 0.041  5 0 "[    .    1    .    2]" 
       1 92 GLU 0.450 0.040 18 0 "[    .    1    .    2]" 
       1 93 ALA 0.881 0.044  1 0 "[    .    1    .    2]" 
       1 94 ALA 0.578 0.058  5 0 "[    .    1    .    2]" 
       1 95 VAL 0.802 0.048  7 0 "[    .    1    .    2]" 
       1 96 GLN 1.088 0.050 19 0 "[    .    1    .    2]" 
       1 97 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 98 SER 0.481 0.058  5 0 "[    .    1    .    2]" 
       1 99 SER 0.466 0.050 19 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 25 MET H    1 25 MET HB3  . . 4.000 3.278 2.510 4.040 0.040  9 0 "[    .    1    .    2]" 1 
         2 1 25 MET H    1 25 MET ME   . . 5.170 4.963 4.434 5.211 0.041 14 0 "[    .    1    .    2]" 1 
         3 1 25 MET H    1 26 ALA H    . . 4.380 4.154 2.491 4.508 0.128 15 0 "[    .    1    .    2]" 1 
         4 1 25 MET HA   1 25 MET ME   . . 4.330 3.286 2.014 4.389 0.059 11 0 "[    .    1    .    2]" 1 
         5 1 25 MET HA   1 26 ALA H    . . 3.200 2.300 2.062 2.640     .  0 0 "[    .    1    .    2]" 1 
         6 1 25 MET HA   1 26 ALA MB   . . 4.140 3.934 3.732 4.187 0.047 16 0 "[    .    1    .    2]" 1 
         7 1 25 MET HB3  1 26 ALA H    . . 5.020 3.492 2.058 4.431     .  0 0 "[    .    1    .    2]" 1 
         8 1 25 MET ME   1 26 ALA H    . . 4.900 3.292 1.782 4.906 0.006 17 0 "[    .    1    .    2]" 1 
         9 1 25 MET ME   1 29 ARG HA   . . 4.770 4.360 3.925 4.772 0.002  4 0 "[    .    1    .    2]" 1 
        10 1 25 MET ME   1 30 LEU H    . . 4.790 3.354 2.542 4.180     .  0 0 "[    .    1    .    2]" 1 
        11 1 25 MET ME   1 31 ARG H    . . 5.500 5.164 4.627 5.543 0.043  3 0 "[    .    1    .    2]" 1 
        12 1 26 ALA H    1 26 ALA MB   . . 3.210 2.432 2.108 2.714     .  0 0 "[    .    1    .    2]" 1 
        13 1 26 ALA H    1 27 PRO HD3  . . 5.100 4.840 4.307 5.133 0.033  5 0 "[    .    1    .    2]" 1 
        14 1 26 ALA HA   1 27 PRO HD3  . . 3.200 2.250 2.055 2.644     .  0 0 "[    .    1    .    2]" 1 
        15 1 26 ALA MB   1 27 PRO HD3  . . 3.620 3.277 2.948 3.642 0.022 19 0 "[    .    1    .    2]" 1 
        16 1 26 ALA MB   1 28 GLU H    . . 4.160 2.908 2.581 3.475     .  0 0 "[    .    1    .    2]" 1 
        17 1 26 ALA MB   1 29 ARG H    . . 3.830 3.100 2.519 3.778     .  0 0 "[    .    1    .    2]" 1 
        18 1 27 PRO HA   1 30 LEU H    . . 4.340 3.545 3.147 4.005     .  0 0 "[    .    1    .    2]" 1 
        19 1 27 PRO HA   1 30 LEU QD   . . 3.850 2.536 2.179 3.281     .  0 0 "[    .    1    .    2]" 1 
        20 1 27 PRO HA   1 31 ARG H    . . 5.250 4.174 3.552 5.267 0.017 14 0 "[    .    1    .    2]" 1 
        21 1 27 PRO HB3  1 28 GLU H    . . 4.500 4.129 3.827 4.371     .  0 0 "[    .    1    .    2]" 1 
        22 1 27 PRO HD3  1 28 GLU H    . . 4.720 4.236 3.961 4.591     .  0 0 "[    .    1    .    2]" 1 
        23 1 28 GLU H    1 29 ARG H    . . 4.020 2.734 2.260 2.890     .  0 0 "[    .    1    .    2]" 1 
        24 1 28 GLU HA   1 31 ARG H    . . 4.160 3.544 3.216 4.067     .  0 0 "[    .    1    .    2]" 1 
        25 1 28 GLU HA   1 32 SER H    . . 4.780 4.254 3.325 4.824 0.044 14 0 "[    .    1    .    2]" 1 
        26 1 29 ARG H    1 29 ARG HG3  . . 4.900 2.912 2.365 4.545     .  0 0 "[    .    1    .    2]" 1 
        27 1 29 ARG H    1 30 LEU H    . . 3.460 2.531 2.137 2.766     .  0 0 "[    .    1    .    2]" 1 
        28 1 29 ARG H    1 31 ARG H    . . 4.850 4.031 3.755 4.255     .  0 0 "[    .    1    .    2]" 1 
        29 1 29 ARG HA   1 29 ARG HG3  . . 3.830 2.995 2.382 3.329     .  0 0 "[    .    1    .    2]" 1 
        30 1 29 ARG HA   1 31 ARG H    . . 5.480 4.491 3.662 5.071     .  0 0 "[    .    1    .    2]" 1 
        31 1 30 LEU H    1 30 LEU HB3  . . 3.700 2.930 2.062 3.642     .  0 0 "[    .    1    .    2]" 1 
        32 1 30 LEU H    1 30 LEU QD   . . 4.330 3.245 2.732 3.824     .  0 0 "[    .    1    .    2]" 1 
        33 1 30 LEU H    1 30 LEU HG   . . 3.920 2.839 2.154 4.089 0.169 17 0 "[    .    1    .    2]" 1 
        34 1 30 LEU H    1 31 ARG H    . . 3.380 2.513 1.968 2.916     .  0 0 "[    .    1    .    2]" 1 
        35 1 30 LEU QD   1 31 ARG H    . . 4.440 3.438 2.479 4.461 0.021  7 0 "[    .    1    .    2]" 1 
        36 1 30 LEU HG   1 31 ARG H    . . 4.810 3.702 2.697 4.860 0.050  1 0 "[    .    1    .    2]" 1 
        37 1 31 ARG H    1 31 ARG HB3  . . 3.530 3.091 2.417 3.621 0.091  7 0 "[    .    1    .    2]" 1 
        38 1 31 ARG H    1 31 ARG HG3  . . 4.720 3.370 2.115 4.513     .  0 0 "[    .    1    .    2]" 1 
        39 1 31 ARG H    1 32 SER H    . . 3.260 2.823 2.416 3.142     .  0 0 "[    .    1    .    2]" 1 
        40 1 31 ARG HA   1 31 ARG HG3  . . 3.950 2.720 2.506 3.185     .  0 0 "[    .    1    .    2]" 1 
        41 1 31 ARG HB3  1 32 SER H    . . 3.950 3.008 2.337 3.868     .  0 0 "[    .    1    .    2]" 1 
        42 1 32 SER H    1 33 ARG H    . . 4.500 2.941 2.092 3.381     .  0 0 "[    .    1    .    2]" 1 
        43 1 32 SER HA   1 35 LEU H    . . 4.420 3.426 2.936 3.794     .  0 0 "[    .    1    .    2]" 1 
        44 1 32 SER HA   1 35 LEU QD   . . 3.680 3.242 2.500 3.700 0.020  3 0 "[    .    1    .    2]" 1 
        45 1 33 ARG H    1 33 ARG HD3  . . 5.350 4.321 3.313 4.845     .  0 0 "[    .    1    .    2]" 1 
        46 1 33 ARG H    1 34 ALA H    . . 3.550 2.823 2.643 3.016     .  0 0 "[    .    1    .    2]" 1 
        47 1 33 ARG H    1 34 ALA MB   . . 4.570 4.432 4.188 4.598 0.028  2 0 "[    .    1    .    2]" 1 
        48 1 33 ARG H    1 65 LEU QD   . . 4.530 4.364 4.062 4.575 0.045 16 0 "[    .    1    .    2]" 1 
        49 1 33 ARG HA   1 33 ARG HD3  . . 4.060 2.824 2.148 3.916     .  0 0 "[    .    1    .    2]" 1 
        50 1 33 ARG HB3  1 34 ALA H    . . 4.250 3.202 2.416 3.757     .  0 0 "[    .    1    .    2]" 1 
        51 1 33 ARG HD3  1 65 LEU QD   . . 4.500 4.415 4.244 4.529 0.029  3 0 "[    .    1    .    2]" 1 
        52 1 34 ALA H    1 34 ALA MB   . . 3.080 2.195 2.135 2.238     .  0 0 "[    .    1    .    2]" 1 
        53 1 34 ALA H    1 53 LEU QD   . . 5.100 4.703 4.333 5.110 0.010 13 0 "[    .    1    .    2]" 1 
        54 1 34 ALA H    1 65 LEU QD   . . 4.450 3.427 2.908 4.077     .  0 0 "[    .    1    .    2]" 1 
        55 1 34 ALA H    1 69 LEU QD   . . 4.570 4.075 3.762 4.307     .  0 0 "[    .    1    .    2]" 1 
        56 1 34 ALA HA   1 37 ALA H    . . 4.010 3.641 3.233 3.944     .  0 0 "[    .    1    .    2]" 1 
        57 1 34 ALA HA   1 38 PHE QD   . . 5.280 4.405 3.903 4.930     .  0 0 "[    .    1    .    2]" 1 
        58 1 34 ALA HA   1 53 LEU QD   . . 4.730 4.038 3.815 4.247     .  0 0 "[    .    1    .    2]" 1 
        59 1 34 ALA HA   1 57 LEU QD   . . 5.440 4.664 3.581 5.163     .  0 0 "[    .    1    .    2]" 1 
        60 1 34 ALA HA   1 69 LEU QD   . . 3.250 2.079 1.897 2.407     .  0 0 "[    .    1    .    2]" 1 
        61 1 34 ALA MB   1 35 LEU H    . . 3.770 2.514 2.301 2.682     .  0 0 "[    .    1    .    2]" 1 
        62 1 34 ALA MB   1 35 LEU HA   . . 4.120 3.929 3.746 4.056     .  0 0 "[    .    1    .    2]" 1 
        63 1 34 ALA MB   1 36 SER H    . . 4.810 4.616 4.526 4.686     .  0 0 "[    .    1    .    2]" 1 
        64 1 34 ALA MB   1 37 ALA H    . . 4.810 4.742 4.485 4.853 0.043  2 0 "[    .    1    .    2]" 1 
        65 1 34 ALA MB   1 38 PHE H    . . 5.170 5.037 4.593 5.190 0.020 13 0 "[    .    1    .    2]" 1 
        66 1 34 ALA MB   1 38 PHE QD   . . 4.450 3.923 3.518 4.233     .  0 0 "[    .    1    .    2]" 1 
        67 1 34 ALA MB   1 38 PHE QE   . . 4.650 4.185 3.715 4.591     .  0 0 "[    .    1    .    2]" 1 
        68 1 34 ALA MB   1 45 LEU QD   . . 4.160 3.404 2.578 4.023     .  0 0 "[    .    1    .    2]" 1 
        69 1 34 ALA MB   1 53 LEU QD   . . 3.340 2.102 1.945 2.315     .  0 0 "[    .    1    .    2]" 1 
        70 1 34 ALA MB   1 57 LEU QD   . . 3.710 3.229 2.172 3.721 0.011 10 0 "[    .    1    .    2]" 1 
        71 1 35 LEU H    1 35 LEU HB3  . . 3.750 3.233 2.947 3.605     .  0 0 "[    .    1    .    2]" 1 
        72 1 35 LEU H    1 35 LEU QD   . . 3.940 3.493 3.116 3.732     .  0 0 "[    .    1    .    2]" 1 
        73 1 35 LEU H    1 35 LEU HG   . . 3.830 3.293 2.263 3.890 0.060 14 0 "[    .    1    .    2]" 1 
        74 1 35 LEU H    1 36 SER H    . . 3.530 2.816 2.643 2.928     .  0 0 "[    .    1    .    2]" 1 
        75 1 35 LEU HA   1 37 ALA MB   . . 4.820 4.833 4.756 4.855 0.035 15 0 "[    .    1    .    2]" 1 
        76 1 35 LEU HA   1 38 PHE H    . . 4.220 3.550 3.379 3.639     .  0 0 "[    .    1    .    2]" 1 
        77 1 35 LEU HA   1 38 PHE QE   . . 5.500 5.518 5.396 5.578 0.078 10 0 "[    .    1    .    2]" 1 
        78 1 35 LEU HA   1 39 LYS H    . . 4.660 4.133 4.031 4.345     .  0 0 "[    .    1    .    2]" 1 
        79 1 35 LEU HA   1 45 LEU QD   . . 3.590 2.781 2.266 3.297     .  0 0 "[    .    1    .    2]" 1 
        80 1 35 LEU HB3  1 36 SER H    . . 4.090 3.038 2.611 3.607     .  0 0 "[    .    1    .    2]" 1 
        81 1 35 LEU QD   1 36 SER H    . . 4.590 3.947 3.750 4.194     .  0 0 "[    .    1    .    2]" 1 
        82 1 35 LEU QD   1 38 PHE H    . . 5.500 4.578 4.102 5.061     .  0 0 "[    .    1    .    2]" 1 
        83 1 35 LEU QD   1 38 PHE HB3  . . 4.910 4.156 3.339 4.927 0.017  2 0 "[    .    1    .    2]" 1 
        84 1 35 LEU HG   1 36 SER H    . . 5.150 4.876 4.438 5.159 0.009  5 0 "[    .    1    .    2]" 1 
        85 1 35 LEU HG   1 45 LEU QD   . . 4.110 2.911 2.253 3.703     .  0 0 "[    .    1    .    2]" 1 
        86 1 36 SER H    1 36 SER HB3  . . 3.600 3.081 2.415 3.630 0.030  8 0 "[    .    1    .    2]" 1 
        87 1 36 SER HA   1 38 PHE H    . . 4.760 4.557 4.389 4.708     .  0 0 "[    .    1    .    2]" 1 
        88 1 36 SER HA   1 39 LYS H    . . 3.970 3.426 3.285 3.581     .  0 0 "[    .    1    .    2]" 1 
        89 1 37 ALA H    1 37 ALA MB   . . 2.890 2.191 2.159 2.232     .  0 0 "[    .    1    .    2]" 1 
        90 1 37 ALA H    1 38 PHE H    . . 3.520 2.762 2.620 2.856     .  0 0 "[    .    1    .    2]" 1 
        91 1 37 ALA H    1 40 LEU HG   . . 5.500 5.121 4.700 5.425     .  0 0 "[    .    1    .    2]" 1 
        92 1 37 ALA H    1 69 LEU QD   . . 3.810 3.650 3.394 3.831 0.021  8 0 "[    .    1    .    2]" 1 
        93 1 37 ALA H    1 73 ILE MD   . . 4.970 4.701 4.351 4.978 0.008  7 0 "[    .    1    .    2]" 1 
        94 1 37 ALA HA   1 40 LEU QD   . . 3.650 2.412 2.306 2.490     .  0 0 "[    .    1    .    2]" 1 
        95 1 37 ALA HA   1 40 LEU HG   . . 3.830 3.318 2.241 3.857 0.027 18 0 "[    .    1    .    2]" 1 
        96 1 37 ALA HA   1 73 ILE MD   . . 4.560 3.969 3.691 4.346     .  0 0 "[    .    1    .    2]" 1 
        97 1 37 ALA MB   1 38 PHE H    . . 3.220 2.534 2.426 2.628     .  0 0 "[    .    1    .    2]" 1 
        98 1 37 ALA MB   1 38 PHE HA   . . 4.240 4.034 4.000 4.075     .  0 0 "[    .    1    .    2]" 1 
        99 1 37 ALA MB   1 38 PHE QD   . . 3.780 3.333 3.154 3.563     .  0 0 "[    .    1    .    2]" 1 
       100 1 37 ALA MB   1 38 PHE QE   . . 4.860 4.611 4.340 4.871 0.011 19 0 "[    .    1    .    2]" 1 
       101 1 37 ALA MB   1 73 ILE MD   . . 2.960 2.392 2.131 2.723     .  0 0 "[    .    1    .    2]" 1 
       102 1 37 ALA MB   1 73 ILE MG   . . 5.030 4.770 4.467 5.037 0.007  7 0 "[    .    1    .    2]" 1 
       103 1 38 PHE H    1 38 PHE HB3  . . 3.810 3.509 3.448 3.564     .  0 0 "[    .    1    .    2]" 1 
       104 1 38 PHE H    1 38 PHE QD   . . 3.580 2.637 2.457 2.926     .  0 0 "[    .    1    .    2]" 1 
       105 1 38 PHE H    1 39 LYS H    . . 3.580 2.694 2.618 2.801     .  0 0 "[    .    1    .    2]" 1 
       106 1 38 PHE H    1 40 LEU QD   . . 5.500 5.139 4.860 5.339     .  0 0 "[    .    1    .    2]" 1 
       107 1 38 PHE H    1 45 LEU QD   . . 5.340 4.367 4.053 4.681     .  0 0 "[    .    1    .    2]" 1 
       108 1 38 PHE H    1 69 LEU QD   . . 4.460 3.397 3.160 3.575     .  0 0 "[    .    1    .    2]" 1 
       109 1 38 PHE H    1 73 ILE MD   . . 4.540 3.274 2.988 3.468     .  0 0 "[    .    1    .    2]" 1 
       110 1 38 PHE HA   1 38 PHE QD   . . 3.810 3.029 2.773 3.117     .  0 0 "[    .    1    .    2]" 1 
       111 1 38 PHE HA   1 41 ARG HB3  . . 4.410 4.176 2.847 4.438 0.028  1 0 "[    .    1    .    2]" 1 
       112 1 38 PHE HA   1 43 LEU QD   . . 4.560 3.229 2.852 3.722     .  0 0 "[    .    1    .    2]" 1 
       113 1 38 PHE HA   1 69 LEU QD   . . 5.110 4.412 3.983 4.924     .  0 0 "[    .    1    .    2]" 1 
       114 1 38 PHE HA   1 73 ILE MD   . . 3.590 2.501 2.304 2.690     .  0 0 "[    .    1    .    2]" 1 
       115 1 38 PHE HA   1 73 ILE MG   . . 4.250 3.645 3.301 3.939     .  0 0 "[    .    1    .    2]" 1 
       116 1 38 PHE HB3  1 39 LYS HA   . . 4.870 4.262 4.159 4.355     .  0 0 "[    .    1    .    2]" 1 
       117 1 38 PHE HB3  1 43 LEU HB3  . . 4.290 3.351 3.060 3.575     .  0 0 "[    .    1    .    2]" 1 
       118 1 38 PHE HB3  1 43 LEU QD   . . 5.270 3.960 3.681 4.356     .  0 0 "[    .    1    .    2]" 1 
       119 1 38 PHE HB3  1 45 LEU QD   . . 4.830 3.683 3.332 4.161     .  0 0 "[    .    1    .    2]" 1 
       120 1 38 PHE QD   1 43 LEU HB3  . . 3.580 2.573 2.415 2.984     .  0 0 "[    .    1    .    2]" 1 
       121 1 38 PHE QD   1 43 LEU QD   . . 3.880 3.156 2.548 3.530     .  0 0 "[    .    1    .    2]" 1 
       122 1 38 PHE QD   1 43 LEU HG   . . 4.330 2.645 2.384 3.036     .  0 0 "[    .    1    .    2]" 1 
       123 1 38 PHE QD   1 45 LEU MD1  . . 4.120 3.419 3.053 3.702     .  0 0 "[    .    1    .    2]" 1 
       124 1 38 PHE QD   1 45 LEU QD   . . 3.490 2.637 2.426 2.776     .  0 0 "[    .    1    .    2]" 1 
       125 1 38 PHE QD   1 45 LEU MD2  . . 4.120 2.758 2.464 2.996     .  0 0 "[    .    1    .    2]" 1 
       126 1 38 PHE QD   1 45 LEU HG   . . 5.500 5.297 5.150 5.540 0.040  1 0 "[    .    1    .    2]" 1 
       127 1 38 PHE QD   1 53 LEU QD   . . 4.650 3.426 3.174 3.756     .  0 0 "[    .    1    .    2]" 1 
       128 1 38 PHE QD   1 69 LEU MD1  . . 4.320 3.114 2.848 3.419     .  0 0 "[    .    1    .    2]" 1 
       129 1 38 PHE QD   1 69 LEU MD2  . . 4.320 2.491 2.165 3.028     .  0 0 "[    .    1    .    2]" 1 
       130 1 38 PHE QD   1 69 LEU HG   . . 4.610 4.136 3.506 4.614 0.004  1 0 "[    .    1    .    2]" 1 
       131 1 38 PHE QD   1 72 ILE MD   . . 5.500 5.524 5.502 5.548 0.048 13 0 "[    .    1    .    2]" 1 
       132 1 38 PHE QD   1 72 ILE MG   . . 5.210 5.053 4.868 5.218 0.008  7 0 "[    .    1    .    2]" 1 
       133 1 38 PHE QD   1 73 ILE MD   . . 4.240 3.050 2.804 3.383     .  0 0 "[    .    1    .    2]" 1 
       134 1 38 PHE QD   1 73 ILE HG13 . . 4.580 4.074 3.762 4.416     .  0 0 "[    .    1    .    2]" 1 
       135 1 38 PHE QD   1 73 ILE MG   . . 4.520 4.046 3.858 4.302     .  0 0 "[    .    1    .    2]" 1 
       136 1 38 PHE QD   1 76 VAL MG1  . . 5.060 4.030 3.796 4.366     .  0 0 "[    .    1    .    2]" 1 
       137 1 38 PHE QD   1 86 ILE MD   . . 4.840 4.316 4.099 4.668     .  0 0 "[    .    1    .    2]" 1 
       138 1 38 PHE QD   1 86 ILE HG13 . . 4.710 2.879 2.640 3.377     .  0 0 "[    .    1    .    2]" 1 
       139 1 38 PHE QE   1 43 LEU QD   . . 4.500 4.057 3.757 4.230     .  0 0 "[    .    1    .    2]" 1 
       140 1 38 PHE QE   1 43 LEU HG   . . 4.390 3.540 3.256 3.766     .  0 0 "[    .    1    .    2]" 1 
       141 1 38 PHE QE   1 45 LEU MD1  . . 4.100 3.052 2.815 3.358     .  0 0 "[    .    1    .    2]" 1 
       142 1 38 PHE QE   1 45 LEU QD   . . 3.580 2.715 2.447 2.861     .  0 0 "[    .    1    .    2]" 1 
       143 1 38 PHE QE   1 45 LEU MD2  . . 4.100 3.079 2.575 3.469     .  0 0 "[    .    1    .    2]" 1 
       144 1 38 PHE QE   1 53 LEU QD   . . 3.750 2.214 2.083 2.384     .  0 0 "[    .    1    .    2]" 1 
       145 1 38 PHE QE   1 69 LEU MD1  . . 3.660 2.376 2.037 3.077     .  0 0 "[    .    1    .    2]" 1 
       146 1 38 PHE QE   1 69 LEU QD   . . 3.000 2.153 2.023 2.248     .  0 0 "[    .    1    .    2]" 1 
       147 1 38 PHE QE   1 69 LEU MD2  . . 3.660 2.829 2.304 3.664 0.004 13 0 "[    .    1    .    2]" 1 
       148 1 38 PHE QE   1 72 ILE HB   . . 4.930 3.726 3.453 4.065     .  0 0 "[    .    1    .    2]" 1 
       149 1 38 PHE QE   1 72 ILE MG   . . 3.610 3.272 3.032 3.470     .  0 0 "[    .    1    .    2]" 1 
       150 1 38 PHE QE   1 73 ILE HA   . . 4.280 3.500 3.059 3.718     .  0 0 "[    .    1    .    2]" 1 
       151 1 38 PHE QE   1 73 ILE MD   . . 4.420 3.627 3.399 3.969     .  0 0 "[    .    1    .    2]" 1 
       152 1 38 PHE QE   1 73 ILE HG13 . . 4.770 3.352 2.980 3.759     .  0 0 "[    .    1    .    2]" 1 
       153 1 38 PHE QE   1 73 ILE MG   . . 4.290 4.026 3.863 4.213     .  0 0 "[    .    1    .    2]" 1 
       154 1 38 PHE QE   1 76 VAL HB   . . 4.480 3.540 2.992 3.979     .  0 0 "[    .    1    .    2]" 1 
       155 1 38 PHE QE   1 76 VAL MG1  . . 3.750 2.591 2.282 2.986     .  0 0 "[    .    1    .    2]" 1 
       156 1 38 PHE QE   1 76 VAL MG2  . . 3.310 2.382 2.261 2.518     .  0 0 "[    .    1    .    2]" 1 
       157 1 38 PHE QE   1 86 ILE MD   . . 4.670 3.915 3.674 4.301     .  0 0 "[    .    1    .    2]" 1 
       158 1 38 PHE QE   1 86 ILE HG13 . . 4.710 2.623 2.434 2.894     .  0 0 "[    .    1    .    2]" 1 
       159 1 38 PHE QE   1 86 ILE MG   . . 4.310 2.470 2.317 3.019     .  0 0 "[    .    1    .    2]" 1 
       160 1 38 PHE HZ   1 45 LEU QD   . . 4.770 3.206 3.013 3.412     .  0 0 "[    .    1    .    2]" 1 
       161 1 38 PHE HZ   1 53 LEU QD   . . 4.780 3.016 2.811 3.364     .  0 0 "[    .    1    .    2]" 1 
       162 1 38 PHE HZ   1 69 LEU QD   . . 4.330 3.855 3.490 4.047     .  0 0 "[    .    1    .    2]" 1 
       163 1 38 PHE HZ   1 72 ILE HB   . . 4.890 3.660 3.432 4.073     .  0 0 "[    .    1    .    2]" 1 
       164 1 38 PHE HZ   1 72 ILE MG   . . 3.100 2.379 2.217 2.557     .  0 0 "[    .    1    .    2]" 1 
       165 1 38 PHE HZ   1 73 ILE HA   . . 4.470 3.695 3.349 4.138     .  0 0 "[    .    1    .    2]" 1 
       166 1 38 PHE HZ   1 73 ILE MG   . . 5.210 4.948 4.709 5.215 0.005  1 0 "[    .    1    .    2]" 1 
       167 1 38 PHE HZ   1 76 VAL MG2  . . 3.580 2.704 2.417 3.154     .  0 0 "[    .    1    .    2]" 1 
       168 1 38 PHE HZ   1 91 VAL HA   . . 5.500 4.930 4.591 5.141     .  0 0 "[    .    1    .    2]" 1 
       169 1 38 PHE HZ   1 91 VAL QG   . . 3.600 3.006 2.614 3.243     .  0 0 "[    .    1    .    2]" 1 
       170 1 38 PHE HZ   1 94 ALA MB   . . 4.870 4.459 4.256 4.729     .  0 0 "[    .    1    .    2]" 1 
       171 1 39 LYS H    1 40 LEU H    . . 3.550 2.941 2.862 3.032     .  0 0 "[    .    1    .    2]" 1 
       172 1 39 LYS HA   1 41 ARG H    . . 4.890 4.293 3.948 4.458     .  0 0 "[    .    1    .    2]" 1 
       173 1 39 LYS HA   1 43 LEU H    . . 4.060 3.420 3.220 3.835     .  0 0 "[    .    1    .    2]" 1 
       174 1 40 LEU H    1 40 LEU HB3  . . 3.740 3.204 2.470 3.593     .  0 0 "[    .    1    .    2]" 1 
       175 1 40 LEU H    1 40 LEU QD   . . 4.150 3.200 3.093 3.266     .  0 0 "[    .    1    .    2]" 1 
       176 1 40 LEU H    1 40 LEU HG   . . 3.430 2.499 2.298 2.597     .  0 0 "[    .    1    .    2]" 1 
       177 1 40 LEU H    1 41 ARG H    . . 3.640 2.791 2.719 2.856     .  0 0 "[    .    1    .    2]" 1 
       178 1 40 LEU HA   1 40 LEU QD   . . 3.410 2.581 2.115 3.427 0.017  3 0 "[    .    1    .    2]" 1 
       179 1 40 LEU HA   1 40 LEU HG   . . 3.750 3.181 2.829 3.764 0.014  3 0 "[    .    1    .    2]" 1 
       180 1 40 LEU HB3  1 41 ARG H    . . 4.250 3.841 3.542 4.265 0.015 11 0 "[    .    1    .    2]" 1 
       181 1 40 LEU QD   1 41 ARG H    . . 4.880 3.799 2.752 4.347     .  0 0 "[    .    1    .    2]" 1 
       182 1 40 LEU HG   1 41 ARG H    . . 4.750 4.062 2.684 4.762 0.012  1 0 "[    .    1    .    2]" 1 
       183 1 41 ARG H    1 41 ARG HB3  . . 4.150 3.405 2.504 3.594     .  0 0 "[    .    1    .    2]" 1 
       184 1 41 ARG H    1 41 ARG HD3  . . 5.050 3.534 2.913 4.763     .  0 0 "[    .    1    .    2]" 1 
       185 1 41 ARG H    1 41 ARG HG3  . . 4.430 4.101 3.662 4.476 0.046 11 0 "[    .    1    .    2]" 1 
       186 1 41 ARG H    1 42 GLY H    . . 3.570 2.543 2.414 2.621     .  0 0 "[    .    1    .    2]" 1 
       187 1 41 ARG H    1 42 GLY HA3  . . 5.500 5.285 5.152 5.369     .  0 0 "[    .    1    .    2]" 1 
       188 1 41 ARG H    1 43 LEU H    . . 4.530 3.833 3.556 3.983     .  0 0 "[    .    1    .    2]" 1 
       189 1 41 ARG H    1 43 LEU QD   . . 5.500 4.019 3.715 4.377     .  0 0 "[    .    1    .    2]" 1 
       190 1 41 ARG H    1 73 ILE MG   . . 5.010 4.805 4.413 5.059 0.049 11 0 "[    .    1    .    2]" 1 
       191 1 41 ARG HA   1 41 ARG HD3  . . 3.760 3.451 2.163 3.842 0.082  4 0 "[    .    1    .    2]" 1 
       192 1 41 ARG HA   1 41 ARG HG3  . . 3.790 2.681 2.239 3.760     .  0 0 "[    .    1    .    2]" 1 
       193 1 41 ARG HB3  1 43 LEU QD   . . 4.160 2.355 2.143 2.724     .  0 0 "[    .    1    .    2]" 1 
       194 1 41 ARG HB3  1 73 ILE MD   . . 5.180 3.979 3.382 4.617     .  0 0 "[    .    1    .    2]" 1 
       195 1 41 ARG HB3  1 73 ILE MG   . . 4.450 3.048 2.510 3.574     .  0 0 "[    .    1    .    2]" 1 
       196 1 41 ARG HD3  1 73 ILE MD   . . 4.630 3.131 2.362 4.662 0.032  8 0 "[    .    1    .    2]" 1 
       197 1 41 ARG HD3  1 73 ILE MG   . . 4.420 3.286 2.420 4.324     .  0 0 "[    .    1    .    2]" 1 
       198 1 41 ARG HE   1 73 ILE MG   . . 4.580 3.773 2.595 4.589 0.009 12 0 "[    .    1    .    2]" 1 
       199 1 41 ARG HG3  1 73 ILE MD   . . 4.720 4.128 2.103 4.767 0.047  2 0 "[    .    1    .    2]" 1 
       200 1 41 ARG HG3  1 73 ILE MG   . . 4.050 3.363 2.411 3.705     .  0 0 "[    .    1    .    2]" 1 
       201 1 42 GLY H    1 43 LEU H    . . 3.840 2.348 2.021 2.584     .  0 0 "[    .    1    .    2]" 1 
       202 1 42 GLY HA3  1 43 LEU QD   . . 4.920 3.374 3.146 3.680     .  0 0 "[    .    1    .    2]" 1 
       203 1 43 LEU H    1 43 LEU QD   . . 4.300 2.343 2.226 2.484     .  0 0 "[    .    1    .    2]" 1 
       204 1 43 LEU H    1 43 LEU HG   . . 4.190 4.157 4.092 4.204 0.014  3 0 "[    .    1    .    2]" 1 
       205 1 43 LEU HA   1 43 LEU QD   . . 3.270 2.110 2.083 2.132     .  0 0 "[    .    1    .    2]" 1 
       206 1 43 LEU HA   1 44 LEU H    . . 3.300 2.316 2.242 2.430     .  0 0 "[    .    1    .    2]" 1 
       207 1 43 LEU HB3  1 44 LEU H    . . 4.620 2.385 2.179 2.479     .  0 0 "[    .    1    .    2]" 1 
       208 1 43 LEU QD   1 44 LEU H    . . 3.950 3.156 3.072 3.235     .  0 0 "[    .    1    .    2]" 1 
       209 1 43 LEU QD   1 73 ILE MG   . . 3.150 2.716 2.366 3.156 0.006  2 0 "[    .    1    .    2]" 1 
       210 1 43 LEU QD   1 77 GLU HG3  . . 4.860 3.939 3.315 4.749     .  0 0 "[    .    1    .    2]" 1 
       211 1 43 LEU QD   1 84 ASN HA   . . 3.550 2.443 2.154 2.599     .  0 0 "[    .    1    .    2]" 1 
       212 1 43 LEU QD   1 84 ASN HB3  . . 3.880 3.486 3.257 3.617     .  0 0 "[    .    1    .    2]" 1 
       213 1 43 LEU QD   1 85 MET HA   . . 4.430 4.461 4.449 4.485 0.055  9 0 "[    .    1    .    2]" 1 
       214 1 43 LEU HG   1 73 ILE HA   . . 5.500 5.155 4.710 5.415     .  0 0 "[    .    1    .    2]" 1 
       215 1 43 LEU HG   1 76 VAL HB   . . 4.880 4.684 4.379 4.901 0.021  9 0 "[    .    1    .    2]" 1 
       216 1 43 LEU HG   1 76 VAL MG1  . . 4.320 3.221 3.006 3.538     .  0 0 "[    .    1    .    2]" 1 
       217 1 43 LEU HG   1 86 ILE MD   . . 4.380 2.946 2.598 3.235     .  0 0 "[    .    1    .    2]" 1 
       218 1 44 LEU H    1 44 LEU HB3  . . 3.900 3.768 3.739 3.809     .  0 0 "[    .    1    .    2]" 1 
       219 1 44 LEU H    1 44 LEU QD   . . 4.370 3.644 3.554 3.749     .  0 0 "[    .    1    .    2]" 1 
       220 1 44 LEU H    1 44 LEU HG   . . 3.960 3.233 3.075 3.426     .  0 0 "[    .    1    .    2]" 1 
       221 1 44 LEU H    1 85 MET ME   . . 5.150 4.605 4.024 5.063     .  0 0 "[    .    1    .    2]" 1 
       222 1 44 LEU H    1 86 ILE H    . . 4.650 3.446 3.063 3.610     .  0 0 "[    .    1    .    2]" 1 
       223 1 44 LEU HA   1 44 LEU QD   . . 3.240 2.130 2.110 2.149     .  0 0 "[    .    1    .    2]" 1 
       224 1 44 LEU HA   1 44 LEU HG   . . 4.000 3.053 3.020 3.127     .  0 0 "[    .    1    .    2]" 1 
       225 1 44 LEU HA   1 45 LEU H    . . 3.100 2.300 2.170 2.573     .  0 0 "[    .    1    .    2]" 1 
       226 1 44 LEU HA   1 85 MET ME   . . 5.320 4.399 4.065 4.815     .  0 0 "[    .    1    .    2]" 1 
       227 1 44 LEU HB3  1 85 MET HA   . . 4.210 3.654 3.451 3.862     .  0 0 "[    .    1    .    2]" 1 
       228 1 44 LEU HB3  1 86 ILE H    . . 5.230 4.689 4.437 5.239 0.009 20 0 "[    .    1    .    2]" 1 
       229 1 44 LEU QD   1 45 LEU H    . . 4.530 3.904 3.335 4.208     .  0 0 "[    .    1    .    2]" 1 
       230 1 44 LEU QD   1 84 ASN HD21 . . 4.400 3.509 3.346 3.658     .  0 0 "[    .    1    .    2]" 1 
       231 1 44 LEU QD   1 84 ASN QD   . . 3.690 2.367 2.238 2.497     .  0 0 "[    .    1    .    2]" 1 
       232 1 44 LEU QD   1 84 ASN HD22 . . 4.400 2.407 2.273 2.544     .  0 0 "[    .    1    .    2]" 1 
       233 1 44 LEU QD   1 85 MET H    . . 5.160 4.636 4.332 5.014     .  0 0 "[    .    1    .    2]" 1 
       234 1 44 LEU QD   1 85 MET HA   . . 4.250 3.866 3.711 4.051     .  0 0 "[    .    1    .    2]" 1 
       235 1 44 LEU QD   1 85 MET ME   . . 2.980 2.271 2.094 2.500     .  0 0 "[    .    1    .    2]" 1 
       236 1 44 LEU QD   1 86 ILE H    . . 5.210 5.109 4.981 5.231 0.021  5 0 "[    .    1    .    2]" 1 
       237 1 44 LEU HG   1 45 LEU H    . . 5.220 5.089 4.960 5.159     .  0 0 "[    .    1    .    2]" 1 
       238 1 44 LEU HG   1 84 ASN HD21 . . 4.870 3.050 2.887 3.212     .  0 0 "[    .    1    .    2]" 1 
       239 1 44 LEU HG   1 84 ASN QD   . . 4.230 2.407 2.339 2.622     .  0 0 "[    .    1    .    2]" 1 
       240 1 44 LEU HG   1 84 ASN HD22 . . 4.870 2.529 2.424 2.853     .  0 0 "[    .    1    .    2]" 1 
       241 1 44 LEU HG   1 85 MET HA   . . 4.930 4.634 4.419 4.940 0.010  2 0 "[    .    1    .    2]" 1 
       242 1 45 LEU H    1 45 LEU HB3  . . 4.090 2.483 2.367 2.765     .  0 0 "[    .    1    .    2]" 1 
       243 1 45 LEU H    1 45 LEU MD1  . . 4.390 4.086 3.996 4.393 0.003  1 0 "[    .    1    .    2]" 1 
       244 1 45 LEU H    1 45 LEU MD2  . . 4.390 4.180 4.104 4.419 0.029  1 0 "[    .    1    .    2]" 1 
       245 1 45 LEU H    1 45 LEU HG   . . 4.760 4.480 4.420 4.686     .  0 0 "[    .    1    .    2]" 1 
       246 1 45 LEU HA   1 45 LEU MD1  . . 4.600 2.194 2.100 2.253     .  0 0 "[    .    1    .    2]" 1 
       247 1 45 LEU HA   1 45 LEU QD   . . 3.250 2.182 2.091 2.240     .  0 0 "[    .    1    .    2]" 1 
       248 1 45 LEU HA   1 45 LEU MD2  . . 4.600 3.892 3.816 3.943     .  0 0 "[    .    1    .    2]" 1 
       249 1 45 LEU HA   1 45 LEU HG   . . 3.730 3.071 2.983 3.193     .  0 0 "[    .    1    .    2]" 1 
       250 1 45 LEU HA   1 46 ARG H    . . 3.190 2.144 2.095 2.188     .  0 0 "[    .    1    .    2]" 1 
       251 1 45 LEU HA   1 86 ILE H    . . 3.860 2.944 2.739 3.100     .  0 0 "[    .    1    .    2]" 1 
       252 1 45 LEU HA   1 86 ILE HB   . . 3.660 2.223 2.080 2.818     .  0 0 "[    .    1    .    2]" 1 
       253 1 45 LEU HA   1 86 ILE HG13 . . 5.020 4.407 4.219 5.046 0.026  6 0 "[    .    1    .    2]" 1 
       254 1 45 LEU HA   1 86 ILE MG   . . 4.630 3.621 3.429 4.111     .  0 0 "[    .    1    .    2]" 1 
       255 1 45 LEU QD   1 46 ARG H    . . 3.810 2.843 2.683 3.007     .  0 0 "[    .    1    .    2]" 1 
       256 1 45 LEU QD   1 49 ALA MB   . . 3.060 1.995 1.926 2.039     .  0 0 "[    .    1    .    2]" 1 
       257 1 45 LEU QD   1 50 ILE HA   . . 3.450 2.222 2.145 2.389     .  0 0 "[    .    1    .    2]" 1 
       258 1 45 LEU QD   1 50 ILE HB   . . 3.650 2.662 2.259 3.272     .  0 0 "[    .    1    .    2]" 1 
       259 1 45 LEU QD   1 50 ILE MD   . . 3.220 2.325 1.956 3.245 0.025 13 0 "[    .    1    .    2]" 1 
       260 1 45 LEU QD   1 50 ILE MG   . . 4.370 3.780 3.582 4.069     .  0 0 "[    .    1    .    2]" 1 
       261 1 45 LEU QD   1 53 LEU QD   . . 3.490 2.001 1.904 2.235     .  0 0 "[    .    1    .    2]" 1 
       262 1 45 LEU QD   1 69 LEU QD   . . 3.890 3.383 2.954 3.633     .  0 0 "[    .    1    .    2]" 1 
       263 1 45 LEU QD   1 86 ILE H    . . 4.410 4.127 3.627 4.345     .  0 0 "[    .    1    .    2]" 1 
       264 1 45 LEU QD   1 86 ILE HA   . . 4.840 4.456 4.162 4.679     .  0 0 "[    .    1    .    2]" 1 
       265 1 45 LEU QD   1 86 ILE HB   . . 3.170 2.379 2.131 2.601     .  0 0 "[    .    1    .    2]" 1 
       266 1 45 LEU QD   1 86 ILE MD   . . 4.760 4.438 4.239 4.584     .  0 0 "[    .    1    .    2]" 1 
       267 1 45 LEU QD   1 86 ILE HG13 . . 4.550 3.738 3.505 3.997     .  0 0 "[    .    1    .    2]" 1 
       268 1 45 LEU QD   1 86 ILE MG   . . 3.580 2.340 2.197 2.499     .  0 0 "[    .    1    .    2]" 1 
       269 1 45 LEU QD   1 88 ARG HA   . . 5.440 4.625 4.344 4.901     .  0 0 "[    .    1    .    2]" 1 
       270 1 45 LEU QD   1 91 VAL QG   . . 3.110 2.097 2.020 2.392     .  0 0 "[    .    1    .    2]" 1 
       271 1 45 LEU MD1  1 49 ALA MB   . . 4.250 2.008 1.936 2.057     .  0 0 "[    .    1    .    2]" 1 
       272 1 45 LEU MD1  1 50 ILE HA   . . 3.980 3.650 3.396 3.982 0.002  6 0 "[    .    1    .    2]" 1 
       273 1 45 LEU MD1  1 50 ILE HB   . . 4.830 4.215 3.955 4.405     .  0 0 "[    .    1    .    2]" 1 
       274 1 45 LEU MD1  1 50 ILE MG   . . 5.280 4.905 4.723 5.167     .  0 0 "[    .    1    .    2]" 1 
       275 1 45 LEU MD1  1 53 LEU QD   . . 4.060 2.679 2.450 3.236     .  0 0 "[    .    1    .    2]" 1 
       276 1 45 LEU MD1  1 86 ILE MG   . . 4.800 2.349 2.206 2.512     .  0 0 "[    .    1    .    2]" 1 
       277 1 45 LEU MD1  1 91 VAL MG1  . . 5.410 3.232 2.122 4.019     .  0 0 "[    .    1    .    2]" 1 
       278 1 45 LEU MD1  1 91 VAL MG2  . . 5.410 2.419 2.054 3.346     .  0 0 "[    .    1    .    2]" 1 
       279 1 45 LEU MD2  1 49 ALA MB   . . 4.250 3.433 3.212 3.634     .  0 0 "[    .    1    .    2]" 1 
       280 1 45 LEU MD2  1 50 ILE HA   . . 3.980 2.242 2.160 2.412     .  0 0 "[    .    1    .    2]" 1 
       281 1 45 LEU MD2  1 50 ILE HB   . . 4.830 2.697 2.268 3.402     .  0 0 "[    .    1    .    2]" 1 
       282 1 45 LEU MD2  1 50 ILE MG   . . 5.280 3.933 3.683 4.258     .  0 0 "[    .    1    .    2]" 1 
       283 1 45 LEU MD2  1 53 LEU QD   . . 4.060 2.069 1.970 2.278     .  0 0 "[    .    1    .    2]" 1 
       284 1 45 LEU MD2  1 86 ILE MG   . . 4.800 4.354 3.970 4.604     .  0 0 "[    .    1    .    2]" 1 
       285 1 45 LEU MD2  1 91 VAL MG1  . . 5.410 4.157 3.428 4.571     .  0 0 "[    .    1    .    2]" 1 
       286 1 45 LEU MD2  1 91 VAL MG2  . . 5.410 3.871 3.259 4.698     .  0 0 "[    .    1    .    2]" 1 
       287 1 45 LEU HG   1 49 ALA H    . . 5.500 4.420 3.975 4.646     .  0 0 "[    .    1    .    2]" 1 
       288 1 45 LEU HG   1 86 ILE HB   . . 4.660 4.591 4.435 4.684 0.024  8 0 "[    .    1    .    2]" 1 
       289 1 46 ARG H    1 46 ARG HB3  . . 3.930 3.508 2.291 3.621     .  0 0 "[    .    1    .    2]" 1 
       290 1 46 ARG H    1 46 ARG HD3  . . 5.280 4.576 4.136 4.959     .  0 0 "[    .    1    .    2]" 1 
       291 1 46 ARG H    1 46 ARG HG3  . . 4.180 3.705 3.437 4.240 0.060  6 0 "[    .    1    .    2]" 1 
       292 1 46 ARG H    1 49 ALA MB   . . 4.030 2.695 2.488 2.975     .  0 0 "[    .    1    .    2]" 1 
       293 1 46 ARG H    1 85 MET ME   . . 5.290 5.076 4.365 5.304 0.014  8 0 "[    .    1    .    2]" 1 
       294 1 46 ARG H    1 86 ILE H    . . 4.480 3.489 3.201 4.179     .  0 0 "[    .    1    .    2]" 1 
       295 1 46 ARG H    1 86 ILE HB   . . 4.510 3.585 3.372 4.103     .  0 0 "[    .    1    .    2]" 1 
       296 1 46 ARG H    1 91 VAL QG   . . 5.440 4.856 4.655 5.318     .  0 0 "[    .    1    .    2]" 1 
       297 1 46 ARG HA   1 46 ARG HD3  . . 3.780 3.616 2.247 3.800 0.020  3 0 "[    .    1    .    2]" 1 
       298 1 46 ARG HA   1 85 MET ME   . . 4.510 4.381 3.615 4.529 0.019 20 0 "[    .    1    .    2]" 1 
       299 1 46 ARG HB3  1 49 ALA H    . . 4.380 3.353 2.710 3.816     .  0 0 "[    .    1    .    2]" 1 
       300 1 46 ARG HB3  1 49 ALA MB   . . 4.320 3.681 2.822 4.098     .  0 0 "[    .    1    .    2]" 1 
       301 1 46 ARG HD3  1 85 MET ME   . . 4.420 3.260 2.229 4.428 0.008  1 0 "[    .    1    .    2]" 1 
       302 1 47 GLY HA3  1 50 ILE H    . . 5.150 4.916 4.727 5.006     .  0 0 "[    .    1    .    2]" 1 
       303 1 47 GLY HA3  1 50 ILE HB   . . 5.500 5.550 4.949 5.632 0.132  1 0 "[    .    1    .    2]" 1 
       304 1 47 GLY HA3  1 50 ILE MG   . . 4.200 3.482 3.383 3.734     .  0 0 "[    .    1    .    2]" 1 
       305 1 48 GLU HA   1 49 ALA MB   . . 5.480 4.956 4.881 4.996     .  0 0 "[    .    1    .    2]" 1 
       306 1 48 GLU HA   1 51 LYS H    . . 4.070 3.898 3.472 4.101 0.031  9 0 "[    .    1    .    2]" 1 
       307 1 49 ALA H    1 49 ALA MB   . . 3.180 2.196 2.126 2.265     .  0 0 "[    .    1    .    2]" 1 
       308 1 49 ALA H    1 50 ILE H    . . 3.490 2.553 2.314 2.698     .  0 0 "[    .    1    .    2]" 1 
       309 1 49 ALA H    1 50 ILE HA   . . 5.370 5.198 4.983 5.320     .  0 0 "[    .    1    .    2]" 1 
       310 1 49 ALA H    1 50 ILE HB   . . 4.970 4.852 4.282 4.997 0.027 11 0 "[    .    1    .    2]" 1 
       311 1 49 ALA H    1 50 ILE MG   . . 4.620 3.826 3.570 4.328     .  0 0 "[    .    1    .    2]" 1 
       312 1 49 ALA HA   1 52 TYR H    . . 3.910 3.292 3.062 3.439     .  0 0 "[    .    1    .    2]" 1 
       313 1 49 ALA HA   1 52 TYR HB3  . . 4.020 2.684 2.538 2.806     .  0 0 "[    .    1    .    2]" 1 
       314 1 49 ALA HA   1 52 TYR QD   . . 4.590 4.409 4.202 4.584     .  0 0 "[    .    1    .    2]" 1 
       315 1 49 ALA HA   1 53 LEU H    . . 4.600 4.161 4.043 4.331     .  0 0 "[    .    1    .    2]" 1 
       316 1 49 ALA HA   1 88 ARG H    . . 5.020 4.065 3.777 4.446     .  0 0 "[    .    1    .    2]" 1 
       317 1 49 ALA HA   1 88 ARG HA   . . 3.370 2.409 2.266 2.581     .  0 0 "[    .    1    .    2]" 1 
       318 1 49 ALA HA   1 91 VAL HB   . . 5.310 4.079 3.645 5.109     .  0 0 "[    .    1    .    2]" 1 
       319 1 49 ALA HA   1 91 VAL QG   . . 3.720 3.115 2.260 3.491     .  0 0 "[    .    1    .    2]" 1 
       320 1 49 ALA MB   1 50 ILE H    . . 3.240 2.494 2.421 2.581     .  0 0 "[    .    1    .    2]" 1 
       321 1 49 ALA MB   1 51 LYS H    . . 4.570 4.590 4.488 4.608 0.038  9 0 "[    .    1    .    2]" 1 
       322 1 49 ALA MB   1 52 TYR H    . . 4.910 4.509 4.356 4.606     .  0 0 "[    .    1    .    2]" 1 
       323 1 49 ALA MB   1 52 TYR HB3  . . 4.790 4.002 3.818 4.100     .  0 0 "[    .    1    .    2]" 1 
       324 1 49 ALA MB   1 53 LEU H    . . 4.980 4.639 4.511 4.822     .  0 0 "[    .    1    .    2]" 1 
       325 1 49 ALA MB   1 86 ILE HA   . . 5.500 4.986 4.809 5.238     .  0 0 "[    .    1    .    2]" 1 
       326 1 49 ALA MB   1 86 ILE HB   . . 4.330 4.030 3.871 4.227     .  0 0 "[    .    1    .    2]" 1 
       327 1 49 ALA MB   1 86 ILE MG   . . 4.000 3.086 2.909 3.319     .  0 0 "[    .    1    .    2]" 1 
       328 1 49 ALA MB   1 87 GLU HA   . . 3.630 2.682 2.336 2.893     .  0 0 "[    .    1    .    2]" 1 
       329 1 49 ALA MB   1 88 ARG H    . . 4.180 2.792 2.511 3.105     .  0 0 "[    .    1    .    2]" 1 
       330 1 49 ALA MB   1 88 ARG HA   . . 3.420 2.604 2.440 2.762     .  0 0 "[    .    1    .    2]" 1 
       331 1 49 ALA MB   1 91 VAL HB   . . 4.240 3.600 3.280 4.252 0.012 18 0 "[    .    1    .    2]" 1 
       332 1 49 ALA MB   1 91 VAL QG   . . 3.000 2.102 2.070 2.150     .  0 0 "[    .    1    .    2]" 1 
       333 1 50 ILE H    1 50 ILE HB   . . 3.580 2.438 2.178 2.522     .  0 0 "[    .    1    .    2]" 1 
       334 1 50 ILE H    1 50 ILE MD   . . 4.470 4.237 4.071 4.423     .  0 0 "[    .    1    .    2]" 1 
       335 1 50 ILE H    1 50 ILE HG13 . . 4.680 4.590 4.560 4.646     .  0 0 "[    .    1    .    2]" 1 
       336 1 50 ILE H    1 50 ILE MG   . . 3.050 2.266 2.106 2.886     .  0 0 "[    .    1    .    2]" 1 
       337 1 50 ILE H    1 51 LYS H    . . 3.850 2.806 2.701 2.868     .  0 0 "[    .    1    .    2]" 1 
       338 1 50 ILE H    1 52 TYR H    . . 4.910 4.193 4.089 4.292     .  0 0 "[    .    1    .    2]" 1 
       339 1 50 ILE HA   1 50 ILE MD   . . 3.100 2.215 2.029 2.581     .  0 0 "[    .    1    .    2]" 1 
       340 1 50 ILE HA   1 50 ILE MG   . . 3.300 3.263 3.230 3.272     .  0 0 "[    .    1    .    2]" 1 
       341 1 50 ILE HA   1 53 LEU H    . . 4.790 3.667 3.426 3.793     .  0 0 "[    .    1    .    2]" 1 
       342 1 50 ILE HA   1 53 LEU QD   . . 3.820 2.686 2.428 2.880     .  0 0 "[    .    1    .    2]" 1 
       343 1 50 ILE HA   1 53 LEU HG   . . 3.830 2.591 2.343 2.873     .  0 0 "[    .    1    .    2]" 1 
       344 1 50 ILE HB   1 50 ILE MD   . . 3.240 2.743 2.458 3.275 0.035 15 0 "[    .    1    .    2]" 1 
       345 1 50 ILE HB   1 51 LYS H    . . 4.130 3.883 3.641 4.000     .  0 0 "[    .    1    .    2]" 1 
       346 1 50 ILE MD   1 51 LYS H    . . 4.660 4.400 3.878 4.709 0.049 20 0 "[    .    1    .    2]" 1 
       347 1 50 ILE MD   1 53 LEU H    . . 5.290 4.638 4.398 4.799     .  0 0 "[    .    1    .    2]" 1 
       348 1 50 ILE MD   1 54 THR H    . . 5.500 3.819 3.178 4.692     .  0 0 "[    .    1    .    2]" 1 
       349 1 50 ILE MG   1 51 LYS H    . . 3.260 2.154 2.097 2.240     .  0 0 "[    .    1    .    2]" 1 
       350 1 50 ILE MG   1 51 LYS HA   . . 3.740 3.499 3.250 3.579     .  0 0 "[    .    1    .    2]" 1 
       351 1 50 ILE MG   1 52 TYR H    . . 4.700 4.432 4.326 4.530     .  0 0 "[    .    1    .    2]" 1 
       352 1 51 LYS H    1 51 LYS HB3  . . 3.790 2.496 2.308 2.620     .  0 0 "[    .    1    .    2]" 1 
       353 1 51 LYS H    1 51 LYS HG3  . . 4.980 4.254 3.434 4.474     .  0 0 "[    .    1    .    2]" 1 
       354 1 51 LYS H    1 52 TYR H    . . 3.630 2.798 2.670 2.904     .  0 0 "[    .    1    .    2]" 1 
       355 1 51 LYS H    1 53 LEU H    . . 4.840 4.628 4.469 4.808     .  0 0 "[    .    1    .    2]" 1 
       356 1 51 LYS H    1 54 THR MG   . . 5.500 5.262 4.393 5.575 0.075 17 0 "[    .    1    .    2]" 1 
       357 1 51 LYS HA   1 54 THR H    . . 4.140 3.545 3.303 3.825     .  0 0 "[    .    1    .    2]" 1 
       358 1 51 LYS HA   1 54 THR HB   . . 3.630 2.639 2.102 3.638 0.008  4 0 "[    .    1    .    2]" 1 
       359 1 51 LYS HA   1 54 THR MG   . . 3.860 3.071 2.123 3.490     .  0 0 "[    .    1    .    2]" 1 
       360 1 52 TYR H    1 52 TYR HB3  . . 3.400 2.527 2.487 2.580     .  0 0 "[    .    1    .    2]" 1 
       361 1 52 TYR H    1 52 TYR QD   . . 4.670 4.203 4.183 4.223     .  0 0 "[    .    1    .    2]" 1 
       362 1 52 TYR H    1 53 LEU H    . . 3.660 2.894 2.528 3.007     .  0 0 "[    .    1    .    2]" 1 
       363 1 52 TYR H    1 53 LEU HA   . . 5.430 5.414 5.095 5.480 0.050 11 0 "[    .    1    .    2]" 1 
       364 1 52 TYR HA   1 52 TYR QD   . . 3.470 2.868 2.562 3.031     .  0 0 "[    .    1    .    2]" 1 
       365 1 52 TYR HA   1 52 TYR QE   . . 5.020 4.611 4.475 4.692     .  0 0 "[    .    1    .    2]" 1 
       366 1 52 TYR HA   1 55 GLU H    . . 4.610 3.970 3.707 4.386     .  0 0 "[    .    1    .    2]" 1 
       367 1 52 TYR HB3  1 53 LEU H    . . 4.080 2.459 2.351 2.533     .  0 0 "[    .    1    .    2]" 1 
       368 1 52 TYR HB3  1 88 ARG HA   . . 4.740 3.854 3.634 4.068     .  0 0 "[    .    1    .    2]" 1 
       369 1 52 TYR HB3  1 91 VAL HB   . . 5.500 3.794 3.513 4.125     .  0 0 "[    .    1    .    2]" 1 
       370 1 52 TYR HB3  1 91 VAL MG1  . . 5.500 3.547 3.161 4.256     .  0 0 "[    .    1    .    2]" 1 
       371 1 52 TYR HB3  1 91 VAL MG2  . . 5.500 3.689 2.217 4.288     .  0 0 "[    .    1    .    2]" 1 
       372 1 52 TYR QD   1 53 LEU H    . . 4.080 3.082 2.935 3.251     .  0 0 "[    .    1    .    2]" 1 
       373 1 52 TYR QD   1 53 LEU HA   . . 3.840 3.291 3.097 3.727     .  0 0 "[    .    1    .    2]" 1 
       374 1 52 TYR QD   1 53 LEU HB3  . . 5.110 2.992 2.747 3.304     .  0 0 "[    .    1    .    2]" 1 
       375 1 52 TYR QD   1 53 LEU QD   . . 4.160 4.100 3.970 4.167 0.007 12 0 "[    .    1    .    2]" 1 
       376 1 52 TYR QD   1 53 LEU HG   . . 4.470 4.396 4.101 4.502 0.032 20 0 "[    .    1    .    2]" 1 
       377 1 52 TYR QD   1 56 ALA MB   . . 4.310 3.998 3.676 4.320 0.010  4 0 "[    .    1    .    2]" 1 
       378 1 52 TYR QD   1 88 ARG HD3  . . 4.980 4.650 4.426 4.981 0.001  7 0 "[    .    1    .    2]" 1 
       379 1 52 TYR QD   1 91 VAL HB   . . 4.010 3.147 2.677 3.490     .  0 0 "[    .    1    .    2]" 1 
       380 1 52 TYR QD   1 91 VAL QG   . . 3.050 2.190 2.085 2.405     .  0 0 "[    .    1    .    2]" 1 
       381 1 52 TYR QD   1 92 GLU HA   . . 4.580 4.151 4.001 4.281     .  0 0 "[    .    1    .    2]" 1 
       382 1 52 TYR QD   1 95 VAL HB   . . 4.640 4.403 4.180 4.646 0.006  7 0 "[    .    1    .    2]" 1 
       383 1 52 TYR QE   1 53 LEU HA   . . 4.640 4.415 4.152 4.657 0.017 13 0 "[    .    1    .    2]" 1 
       384 1 52 TYR QE   1 56 ALA MB   . . 4.460 3.749 3.264 4.304     .  0 0 "[    .    1    .    2]" 1 
       385 1 52 TYR QE   1 91 VAL HB   . . 4.550 4.242 3.591 4.566 0.016 12 0 "[    .    1    .    2]" 1 
       386 1 52 TYR QE   1 91 VAL QG   . . 3.400 2.907 2.526 3.441 0.041  5 0 "[    .    1    .    2]" 1 
       387 1 52 TYR QE   1 92 GLU HA   . . 3.270 2.707 2.499 2.910     .  0 0 "[    .    1    .    2]" 1 
       388 1 52 TYR QE   1 92 GLU HG3  . . 4.210 2.902 2.636 3.659     .  0 0 "[    .    1    .    2]" 1 
       389 1 52 TYR QE   1 95 VAL HB   . . 3.790 2.788 2.558 2.989     .  0 0 "[    .    1    .    2]" 1 
       390 1 52 TYR QE   1 95 VAL MG1  . . 3.770 2.283 2.167 2.390     .  0 0 "[    .    1    .    2]" 1 
       391 1 52 TYR QE   1 95 VAL MG2  . . 3.330 3.153 2.859 3.345 0.015  7 0 "[    .    1    .    2]" 1 
       392 1 53 LEU H    1 53 LEU QD   . . 4.230 3.091 2.966 3.183     .  0 0 "[    .    1    .    2]" 1 
       393 1 53 LEU H    1 53 LEU HG   . . 3.230 2.237 2.159 2.319     .  0 0 "[    .    1    .    2]" 1 
       394 1 53 LEU H    1 56 ALA MB   . . 4.890 4.611 4.502 4.801     .  0 0 "[    .    1    .    2]" 1 
       395 1 53 LEU H    1 91 VAL MG1  . . 5.320 3.557 3.130 4.478     .  0 0 "[    .    1    .    2]" 1 
       396 1 53 LEU H    1 91 VAL QG   . . 4.150 3.227 3.055 3.396     .  0 0 "[    .    1    .    2]" 1 
       397 1 53 LEU H    1 91 VAL MG2  . . 5.320 4.169 3.304 4.567     .  0 0 "[    .    1    .    2]" 1 
       398 1 53 LEU HA   1 53 LEU QD   . . 3.420 3.413 3.389 3.428 0.008 11 0 "[    .    1    .    2]" 1 
       399 1 53 LEU HA   1 55 GLU H    . . 4.690 4.071 3.814 4.244     .  0 0 "[    .    1    .    2]" 1 
       400 1 53 LEU HA   1 56 ALA H    . . 3.990 2.853 2.745 3.034     .  0 0 "[    .    1    .    2]" 1 
       401 1 53 LEU HA   1 56 ALA HA   . . 5.170 4.825 4.689 5.073     .  0 0 "[    .    1    .    2]" 1 
       402 1 53 LEU HA   1 56 ALA MB   . . 3.140 2.180 2.109 2.359     .  0 0 "[    .    1    .    2]" 1 
       403 1 53 LEU HA   1 57 LEU H    . . 4.570 4.111 3.871 4.506     .  0 0 "[    .    1    .    2]" 1 
       404 1 53 LEU HA   1 57 LEU QD   . . 4.730 3.914 3.253 4.746 0.016  4 0 "[    .    1    .    2]" 1 
       405 1 53 LEU QD   1 54 THR H    . . 5.010 2.554 2.418 2.751     .  0 0 "[    .    1    .    2]" 1 
       406 1 53 LEU HG   1 54 THR H    . . 4.290 3.439 3.163 3.737     .  0 0 "[    .    1    .    2]" 1 
       407 1 54 THR H    1 54 THR HB   . . 3.450 2.379 2.220 2.476     .  0 0 "[    .    1    .    2]" 1 
       408 1 54 THR H    1 54 THR MG   . . 3.920 3.408 2.271 3.790     .  0 0 "[    .    1    .    2]" 1 
       409 1 54 THR H    1 55 GLU H    . . 3.530 2.782 2.697 2.983     .  0 0 "[    .    1    .    2]" 1 
       410 1 54 THR HA   1 54 THR MG   . . 3.340 2.792 2.544 3.262     .  0 0 "[    .    1    .    2]" 1 
       411 1 54 THR HA   1 57 LEU H    . . 4.400 3.671 3.455 4.181     .  0 0 "[    .    1    .    2]" 1 
       412 1 54 THR HA   1 57 LEU QD   . . 4.450 3.762 2.797 4.298     .  0 0 "[    .    1    .    2]" 1 
       413 1 54 THR HB   1 55 GLU H    . . 3.990 3.113 2.607 4.007 0.017  8 0 "[    .    1    .    2]" 1 
       414 1 54 THR MG   1 55 GLU H    . . 4.200 3.050 2.293 3.457     .  0 0 "[    .    1    .    2]" 1 
       415 1 54 THR MG   1 55 GLU HA   . . 4.300 3.589 3.249 3.731     .  0 0 "[    .    1    .    2]" 1 
       416 1 54 THR MG   1 57 LEU H    . . 5.500 4.999 4.770 5.295     .  0 0 "[    .    1    .    2]" 1 
       417 1 55 GLU H    1 55 GLU HB3  . . 3.780 3.540 2.878 3.631     .  0 0 "[    .    1    .    2]" 1 
       418 1 55 GLU H    1 55 GLU HG3  . . 4.140 2.899 2.380 3.772     .  0 0 "[    .    1    .    2]" 1 
       419 1 55 GLU H    1 56 ALA H    . . 3.400 2.605 2.320 2.705     .  0 0 "[    .    1    .    2]" 1 
       420 1 55 GLU H    1 56 ALA MB   . . 4.510 4.268 4.034 4.358     .  0 0 "[    .    1    .    2]" 1 
       421 1 55 GLU H    1 57 LEU H    . . 4.520 4.094 3.879 4.305     .  0 0 "[    .    1    .    2]" 1 
       422 1 55 GLU HA   1 57 LEU H    . . 4.570 4.034 3.709 4.576 0.006 10 0 "[    .    1    .    2]" 1 
       423 1 56 ALA H    1 56 ALA MB   . . 3.010 2.220 2.202 2.248     .  0 0 "[    .    1    .    2]" 1 
       424 1 56 ALA H    1 57 LEU H    . . 3.600 2.685 2.539 2.765     .  0 0 "[    .    1    .    2]" 1 
       425 1 56 ALA HA   1 57 LEU HA   . . 5.080 4.707 4.668 4.782     .  0 0 "[    .    1    .    2]" 1 
       426 1 56 ALA HA   1 58 GLN H    . . 4.570 4.121 3.945 4.516     .  0 0 "[    .    1    .    2]" 1 
       427 1 56 ALA MB   1 57 LEU H    . . 3.770 2.941 2.583 3.140     .  0 0 "[    .    1    .    2]" 1 
       428 1 56 ALA MB   1 57 LEU HA   . . 4.550 4.209 4.046 4.312     .  0 0 "[    .    1    .    2]" 1 
       429 1 57 LEU H    1 57 LEU HB3  . . 3.790 3.666 3.513 3.729     .  0 0 "[    .    1    .    2]" 1 
       430 1 57 LEU H    1 57 LEU MD1  . . 4.250 3.681 2.608 3.975     .  0 0 "[    .    1    .    2]" 1 
       431 1 57 LEU H    1 57 LEU QD   . . 3.590 3.263 2.465 3.502     .  0 0 "[    .    1    .    2]" 1 
       432 1 57 LEU H    1 57 LEU MD2  . . 4.250 3.773 2.493 3.940     .  0 0 "[    .    1    .    2]" 1 
       433 1 57 LEU H    1 57 LEU HG   . . 4.310 3.135 2.699 4.320 0.010 15 0 "[    .    1    .    2]" 1 
       434 1 57 LEU H    1 58 GLN H    . . 3.470 2.426 2.226 2.659     .  0 0 "[    .    1    .    2]" 1 
       435 1 57 LEU H    1 59 SER H    . . 5.110 4.844 4.453 5.118 0.008 15 0 "[    .    1    .    2]" 1 
       436 1 57 LEU HA   1 57 LEU MD1  . . 4.150 3.592 2.118 3.930     .  0 0 "[    .    1    .    2]" 1 
       437 1 57 LEU HA   1 57 LEU QD   . . 2.980 2.202 2.062 2.402     .  0 0 "[    .    1    .    2]" 1 
       438 1 57 LEU HA   1 57 LEU MD2  . . 4.150 2.475 2.154 3.898     .  0 0 "[    .    1    .    2]" 1 
       439 1 57 LEU HA   1 57 LEU HG   . . 4.250 3.078 2.649 3.733     .  0 0 "[    .    1    .    2]" 1 
       440 1 57 LEU HA   1 58 GLN HA   . . 5.500 4.886 4.830 4.945     .  0 0 "[    .    1    .    2]" 1 
       441 1 57 LEU HA   1 60 ILE HB   . . 4.370 2.865 2.365 3.040     .  0 0 "[    .    1    .    2]" 1 
       442 1 57 LEU HA   1 60 ILE MD   . . 4.830 4.485 4.195 4.829     .  0 0 "[    .    1    .    2]" 1 
       443 1 57 LEU HA   1 60 ILE HG13 . . 4.190 3.032 2.720 3.388     .  0 0 "[    .    1    .    2]" 1 
       444 1 57 LEU HA   1 60 ILE MG   . . 4.200 4.117 3.643 4.232 0.032  8 0 "[    .    1    .    2]" 1 
       445 1 57 LEU MD1  1 69 LEU HA   . . 4.910 3.516 2.983 4.348     .  0 0 "[    .    1    .    2]" 1 
       446 1 57 LEU MD2  1 69 LEU HA   . . 4.910 3.687 2.896 4.232     .  0 0 "[    .    1    .    2]" 1 
       447 1 58 GLN H    1 58 GLN HB3  . . 3.620 2.508 2.373 2.701     .  0 0 "[    .    1    .    2]" 1 
       448 1 58 GLN H    1 59 SER H    . . 4.130 2.891 2.710 3.015     .  0 0 "[    .    1    .    2]" 1 
       449 1 58 GLN HA   1 60 ILE H    . . 4.800 4.139 3.672 4.365     .  0 0 "[    .    1    .    2]" 1 
       450 1 58 GLN HB3  1 59 SER H    . . 4.550 3.399 2.863 4.266     .  0 0 "[    .    1    .    2]" 1 
       451 1 59 SER H    1 60 ILE H    . . 3.610 2.434 2.247 2.771     .  0 0 "[    .    1    .    2]" 1 
       452 1 60 ILE H    1 60 ILE HB   . . 3.270 2.235 2.165 2.438     .  0 0 "[    .    1    .    2]" 1 
       453 1 60 ILE H    1 60 ILE MD   . . 4.420 4.163 4.044 4.327     .  0 0 "[    .    1    .    2]" 1 
       454 1 60 ILE H    1 60 ILE HG13 . . 4.250 3.949 3.808 4.266 0.016  4 0 "[    .    1    .    2]" 1 
       455 1 60 ILE H    1 60 ILE MG   . . 4.090 3.640 3.579 3.688     .  0 0 "[    .    1    .    2]" 1 
       456 1 60 ILE H    1 61 SER H    . . 4.940 4.565 4.439 4.609     .  0 0 "[    .    1    .    2]" 1 
       457 1 60 ILE HA   1 60 ILE MD   . . 3.320 2.140 2.113 2.189     .  0 0 "[    .    1    .    2]" 1 
       458 1 60 ILE HA   1 60 ILE HG13 . . 3.940 3.634 3.599 3.661     .  0 0 "[    .    1    .    2]" 1 
       459 1 60 ILE HA   1 60 ILE MG   . . 3.170 2.781 2.738 2.855     .  0 0 "[    .    1    .    2]" 1 
       460 1 60 ILE HA   1 61 SER H    . . 2.820 2.134 2.098 2.199     .  0 0 "[    .    1    .    2]" 1 
       461 1 60 ILE HB   1 60 ILE MD   . . 3.270 3.277 3.269 3.283 0.013 10 0 "[    .    1    .    2]" 1 
       462 1 60 ILE HB   1 61 SER H    . . 4.310 4.227 4.163 4.319 0.009  6 0 "[    .    1    .    2]" 1 
       463 1 60 ILE MD   1 61 SER H    . . 4.330 2.911 2.676 2.974     .  0 0 "[    .    1    .    2]" 1 
       464 1 60 ILE MD   1 64 GLU HB3  . . 4.300 4.253 3.922 4.321 0.021 16 0 "[    .    1    .    2]" 1 
       465 1 60 ILE MD   1 68 LYS H    . . 5.230 5.119 5.013 5.236 0.006 12 0 "[    .    1    .    2]" 1 
       466 1 60 ILE MD   1 68 LYS HA   . . 4.860 4.796 4.614 4.882 0.022  9 0 "[    .    1    .    2]" 1 
       467 1 60 ILE MD   1 68 LYS HE3  . . 4.660 4.182 3.761 4.546     .  0 0 "[    .    1    .    2]" 1 
       468 1 60 ILE HG13 1 61 SER H    . . 5.110 5.013 4.862 5.112 0.002  6 0 "[    .    1    .    2]" 1 
       469 1 60 ILE MG   1 61 SER H    . . 3.420 2.522 2.433 2.680     .  0 0 "[    .    1    .    2]" 1 
       470 1 60 ILE MG   1 61 SER HA   . . 4.110 4.133 4.114 4.165 0.055  6 0 "[    .    1    .    2]" 1 
       471 1 60 ILE MG   1 64 GLU HA   . . 5.060 4.855 4.759 4.997     .  0 0 "[    .    1    .    2]" 1 
       472 1 60 ILE MG   1 64 GLU HB3  . . 3.700 3.690 3.610 3.722 0.022  6 0 "[    .    1    .    2]" 1 
       473 1 60 ILE MG   1 65 LEU H    . . 4.340 3.412 3.026 3.731     .  0 0 "[    .    1    .    2]" 1 
       474 1 60 ILE MG   1 65 LEU HA   . . 3.400 2.283 2.119 2.697     .  0 0 "[    .    1    .    2]" 1 
       475 1 60 ILE MG   1 68 LYS H    . . 4.970 4.286 4.152 4.444     .  0 0 "[    .    1    .    2]" 1 
       476 1 60 ILE MG   1 68 LYS HE3  . . 4.960 4.984 4.963 4.996 0.036  9 0 "[    .    1    .    2]" 1 
       477 1 61 SER H    1 61 SER HB3  . . 3.670 3.472 2.884 3.520     .  0 0 "[    .    1    .    2]" 1 
       478 1 61 SER H    1 64 GLU H    . . 5.180 4.876 4.631 4.988     .  0 0 "[    .    1    .    2]" 1 
       479 1 61 SER H    1 64 GLU HB3  . . 4.970 4.932 4.633 4.991 0.021 19 0 "[    .    1    .    2]" 1 
       480 1 61 SER HA   1 62 GLU H    . . 3.020 2.190 2.153 2.227     .  0 0 "[    .    1    .    2]" 1 
       481 1 61 SER HA   1 62 GLU HB3  . . 4.820 4.609 4.505 4.738     .  0 0 "[    .    1    .    2]" 1 
       482 1 61 SER HA   1 63 LEU H    . . 4.600 4.132 3.818 4.328     .  0 0 "[    .    1    .    2]" 1 
       483 1 61 SER HB3  1 62 GLU H    . . 3.800 3.442 3.277 3.693     .  0 0 "[    .    1    .    2]" 1 
       484 1 61 SER HB3  1 63 LEU H    . . 3.730 3.076 2.486 3.300     .  0 0 "[    .    1    .    2]" 1 
       485 1 61 SER HB3  1 64 GLU H    . . 4.230 3.094 2.679 3.303     .  0 0 "[    .    1    .    2]" 1 
       486 1 61 SER HB3  1 64 GLU HB3  . . 4.670 4.661 3.865 4.722 0.052  4 0 "[    .    1    .    2]" 1 
       487 1 62 GLU H    1 62 GLU HB3  . . 3.640 2.552 2.470 2.710     .  0 0 "[    .    1    .    2]" 1 
       488 1 62 GLU H    1 63 LEU H    . . 3.890 2.930 2.775 3.037     .  0 0 "[    .    1    .    2]" 1 
       489 1 62 GLU HA   1 65 LEU H    . . 4.340 3.645 3.230 4.107     .  0 0 "[    .    1    .    2]" 1 
       490 1 62 GLU HA   1 65 LEU QD   . . 3.810 3.279 2.373 3.787     .  0 0 "[    .    1    .    2]" 1 
       491 1 63 LEU H    1 63 LEU HB3  . . 3.740 2.779 2.629 3.629     .  0 0 "[    .    1    .    2]" 1 
       492 1 63 LEU H    1 63 LEU MD1  . . 4.340 3.790 2.716 4.026     .  0 0 "[    .    1    .    2]" 1 
       493 1 63 LEU H    1 63 LEU MD2  . . 4.170 2.119 1.695 3.525     .  0 0 "[    .    1    .    2]" 1 
       494 1 63 LEU H    1 63 LEU HG   . . 3.150 2.851 1.840 3.193 0.043  7 0 "[    .    1    .    2]" 1 
       495 1 63 LEU H    1 64 GLU H    . . 3.550 2.529 2.326 2.701     .  0 0 "[    .    1    .    2]" 1 
       496 1 63 LEU MD1  1 64 GLU H    . . 4.770 4.453 2.801 4.800 0.030  4 0 "[    .    1    .    2]" 1 
       497 1 63 LEU MD2  1 64 GLU H    . . 5.410 3.593 2.888 4.973     .  0 0 "[    .    1    .    2]" 1 
       498 1 63 LEU HG   1 64 GLU H    . . 4.740 3.390 3.141 3.898     .  0 0 "[    .    1    .    2]" 1 
       499 1 63 LEU HG   1 65 LEU H    . . 5.500 5.336 5.169 5.605 0.105 15 0 "[    .    1    .    2]" 1 
       500 1 64 GLU H    1 64 GLU HB3  . . 3.950 3.714 3.600 3.821     .  0 0 "[    .    1    .    2]" 1 
       501 1 64 GLU H    1 64 GLU HG3  . . 4.070 3.432 2.679 4.093 0.023 17 0 "[    .    1    .    2]" 1 
       502 1 64 GLU H    1 66 GLU H    . . 5.500 4.602 4.335 4.817     .  0 0 "[    .    1    .    2]" 1 
       503 1 64 GLU HA   1 64 GLU HG3  . . 4.000 3.505 3.086 3.838     .  0 0 "[    .    1    .    2]" 1 
       504 1 64 GLU HB3  1 65 LEU H    . . 4.740 4.241 4.007 4.392     .  0 0 "[    .    1    .    2]" 1 
       505 1 65 LEU H    1 65 LEU HB3  . . 3.720 2.416 2.297 2.575     .  0 0 "[    .    1    .    2]" 1 
       506 1 65 LEU H    1 65 LEU QD   . . 4.160 3.647 2.990 3.726     .  0 0 "[    .    1    .    2]" 1 
       507 1 65 LEU H    1 66 GLU H    . . 3.880 2.863 2.798 2.915     .  0 0 "[    .    1    .    2]" 1 
       508 1 65 LEU H    1 66 GLU HA   . . 5.400 5.456 5.440 5.469 0.069  7 0 "[    .    1    .    2]" 1 
       509 1 65 LEU HA   1 68 LYS H    . . 4.430 3.664 3.459 3.818     .  0 0 "[    .    1    .    2]" 1 
       510 1 65 LEU HA   1 69 LEU H    . . 4.810 3.768 3.489 3.966     .  0 0 "[    .    1    .    2]" 1 
       511 1 65 LEU HB3  1 66 GLU H    . . 4.190 2.680 2.509 3.949     .  0 0 "[    .    1    .    2]" 1 
       512 1 65 LEU QD   1 66 GLU H    . . 4.410 3.803 2.908 4.035     .  0 0 "[    .    1    .    2]" 1 
       513 1 65 LEU QD   1 68 LYS H    . . 5.090 4.819 4.608 5.099 0.009  4 0 "[    .    1    .    2]" 1 
       514 1 65 LEU HG   1 66 GLU HA   . . 4.170 3.763 3.415 4.197 0.027  3 0 "[    .    1    .    2]" 1 
       515 1 66 GLU H    1 66 GLU HB3  . . 3.740 2.990 2.464 3.621     .  0 0 "[    .    1    .    2]" 1 
       516 1 66 GLU H    1 66 GLU HG3  . . 4.760 3.679 2.269 4.475     .  0 0 "[    .    1    .    2]" 1 
       517 1 66 GLU H    1 67 ASP H    . . 3.510 2.729 2.664 2.807     .  0 0 "[    .    1    .    2]" 1 
       518 1 66 GLU HA   1 66 GLU HG3  . . 4.060 2.709 2.343 3.805     .  0 0 "[    .    1    .    2]" 1 
       519 1 66 GLU HA   1 68 LYS H    . . 4.980 4.521 4.357 4.760     .  0 0 "[    .    1    .    2]" 1 
       520 1 66 GLU HA   1 69 LEU H    . . 4.130 3.745 3.483 4.156 0.026  5 0 "[    .    1    .    2]" 1 
       521 1 66 GLU HA   1 69 LEU QD   . . 3.700 3.464 3.007 3.716 0.016  5 0 "[    .    1    .    2]" 1 
       522 1 66 GLU HB3  1 67 ASP H    . . 4.090 3.126 2.505 4.100 0.010 14 0 "[    .    1    .    2]" 1 
       523 1 67 ASP H    1 67 ASP HB3  . . 3.360 2.491 2.398 2.568     .  0 0 "[    .    1    .    2]" 1 
       524 1 67 ASP H    1 69 LEU H    . . 4.810 4.284 3.824 4.549     .  0 0 "[    .    1    .    2]" 1 
       525 1 67 ASP HA   1 70 GLU H    . . 3.930 3.661 3.436 3.804     .  0 0 "[    .    1    .    2]" 1 
       526 1 67 ASP HA   1 70 GLU HA   . . 5.500 5.430 5.204 5.516 0.016 12 0 "[    .    1    .    2]" 1 
       527 1 67 ASP HB3  1 68 LYS H    . . 4.290 2.724 2.624 2.793     .  0 0 "[    .    1    .    2]" 1 
       528 1 68 LYS H    1 68 LYS HB3  . . 3.510 2.318 2.258 2.414     .  0 0 "[    .    1    .    2]" 1 
       529 1 68 LYS H    1 69 LEU H    . . 3.660 2.775 2.672 2.847     .  0 0 "[    .    1    .    2]" 1 
       530 1 68 LYS HA   1 68 LYS HD3  . . 4.160 2.956 2.753 3.101     .  0 0 "[    .    1    .    2]" 1 
       531 1 68 LYS HA   1 71 LYS H    . . 4.160 3.868 3.711 4.033     .  0 0 "[    .    1    .    2]" 1 
       532 1 68 LYS HB3  1 69 LEU H    . . 4.230 2.432 2.355 2.513     .  0 0 "[    .    1    .    2]" 1 
       533 1 69 LEU H    1 69 LEU HB3  . . 3.820 2.427 2.346 2.548     .  0 0 "[    .    1    .    2]" 1 
       534 1 69 LEU H    1 69 LEU QD   . . 4.460 3.658 3.622 3.695     .  0 0 "[    .    1    .    2]" 1 
       535 1 69 LEU H    1 69 LEU HG   . . 4.620 4.448 4.332 4.488     .  0 0 "[    .    1    .    2]" 1 
       536 1 69 LEU H    1 70 GLU H    . . 3.590 2.724 2.628 2.769     .  0 0 "[    .    1    .    2]" 1 
       537 1 69 LEU H    1 71 LYS H    . . 4.770 4.366 4.287 4.478     .  0 0 "[    .    1    .    2]" 1 
       538 1 69 LEU H    1 72 ILE MD   . . 4.580 4.423 4.251 4.560     .  0 0 "[    .    1    .    2]" 1 
       539 1 69 LEU HA   1 69 LEU QD   . . 3.340 2.773 2.240 3.128     .  0 0 "[    .    1    .    2]" 1 
       540 1 69 LEU HA   1 71 LYS H    . . 4.190 3.811 3.681 3.958     .  0 0 "[    .    1    .    2]" 1 
       541 1 69 LEU HA   1 72 ILE H    . . 3.980 3.141 2.959 3.310     .  0 0 "[    .    1    .    2]" 1 
       542 1 69 LEU HA   1 72 ILE HB   . . 3.610 3.163 3.046 3.273     .  0 0 "[    .    1    .    2]" 1 
       543 1 69 LEU HA   1 72 ILE MD   . . 3.300 2.169 2.126 2.233     .  0 0 "[    .    1    .    2]" 1 
       544 1 69 LEU HA   1 72 ILE MG   . . 4.550 4.423 4.303 4.553 0.003 13 0 "[    .    1    .    2]" 1 
       545 1 69 LEU HA   1 73 ILE H    . . 4.370 4.336 4.250 4.409 0.039  1 0 "[    .    1    .    2]" 1 
       546 1 69 LEU HB3  1 70 GLU H    . . 4.200 3.039 2.759 3.201     .  0 0 "[    .    1    .    2]" 1 
       547 1 69 LEU QD   1 70 GLU H    . . 5.350 3.812 3.518 4.210     .  0 0 "[    .    1    .    2]" 1 
       548 1 69 LEU QD   1 73 ILE MD   . . 4.100 2.334 1.955 3.068     .  0 0 "[    .    1    .    2]" 1 
       549 1 69 LEU HG   1 70 GLU H    . . 5.500 4.511 4.124 5.106     .  0 0 "[    .    1    .    2]" 1 
       550 1 69 LEU HG   1 72 ILE H    . . 5.500 4.603 4.176 5.142     .  0 0 "[    .    1    .    2]" 1 
       551 1 70 GLU H    1 72 ILE H    . . 4.890 4.206 4.134 4.372     .  0 0 "[    .    1    .    2]" 1 
       552 1 70 GLU HA   1 72 ILE H    . . 5.120 4.245 4.026 4.477     .  0 0 "[    .    1    .    2]" 1 
       553 1 70 GLU HA   1 73 ILE H    . . 4.280 3.383 3.208 3.638     .  0 0 "[    .    1    .    2]" 1 
       554 1 70 GLU HA   1 73 ILE HB   . . 3.570 2.631 2.399 2.862     .  0 0 "[    .    1    .    2]" 1 
       555 1 70 GLU HA   1 73 ILE MD   . . 3.850 2.615 2.355 3.033     .  0 0 "[    .    1    .    2]" 1 
       556 1 70 GLU HA   1 73 ILE HG13 . . 4.650 3.588 3.231 3.931     .  0 0 "[    .    1    .    2]" 1 
       557 1 70 GLU HA   1 73 ILE MG   . . 4.940 4.057 3.858 4.301     .  0 0 "[    .    1    .    2]" 1 
       558 1 70 GLU HA   1 74 ASN H    . . 4.870 3.984 3.765 4.147     .  0 0 "[    .    1    .    2]" 1 
       559 1 71 LYS H    1 71 LYS HB3  . . 3.620 3.624 3.604 3.636 0.016 17 0 "[    .    1    .    2]" 1 
       560 1 71 LYS H    1 71 LYS HG3  . . 4.160 2.256 2.042 2.388     .  0 0 "[    .    1    .    2]" 1 
       561 1 71 LYS H    1 72 ILE H    . . 3.560 2.503 2.450 2.606     .  0 0 "[    .    1    .    2]" 1 
       562 1 71 LYS H    1 72 ILE HB   . . 5.120 4.816 4.708 4.870     .  0 0 "[    .    1    .    2]" 1 
       563 1 71 LYS H    1 72 ILE MD   . . 4.900 4.939 4.924 4.955 0.055 16 0 "[    .    1    .    2]" 1 
       564 1 71 LYS H    1 73 ILE H    . . 5.040 4.192 4.134 4.297     .  0 0 "[    .    1    .    2]" 1 
       565 1 71 LYS HA   1 71 LYS HG3  . . 3.940 3.176 3.093 3.341     .  0 0 "[    .    1    .    2]" 1 
       566 1 71 LYS HA   1 74 ASN H    . . 4.300 3.475 3.355 3.655     .  0 0 "[    .    1    .    2]" 1 
       567 1 71 LYS HA   1 74 ASN HD21 . . 4.870 3.339 3.188 3.496     .  0 0 "[    .    1    .    2]" 1 
       568 1 71 LYS HA   1 74 ASN QD   . . 4.190 3.275 3.115 3.419     .  0 0 "[    .    1    .    2]" 1 
       569 1 71 LYS HA   1 74 ASN HD22 . . 4.870 4.750 4.307 4.893 0.023 19 0 "[    .    1    .    2]" 1 
       570 1 71 LYS HA   1 75 ALA H    . . 4.640 4.441 4.323 4.653 0.013 13 0 "[    .    1    .    2]" 1 
       571 1 71 LYS HB3  1 98 SER HB3  . . 4.300 3.051 2.703 3.660     .  0 0 "[    .    1    .    2]" 1 
       572 1 71 LYS HD3  1 98 SER HA   . . 4.630 3.624 2.934 4.285     .  0 0 "[    .    1    .    2]" 1 
       573 1 72 ILE H    1 72 ILE HB   . . 3.400 2.605 2.512 2.679     .  0 0 "[    .    1    .    2]" 1 
       574 1 72 ILE H    1 72 ILE MD   . . 3.620 3.497 3.397 3.570     .  0 0 "[    .    1    .    2]" 1 
       575 1 72 ILE H    1 72 ILE MG   . . 3.860 3.833 3.818 3.842     .  0 0 "[    .    1    .    2]" 1 
       576 1 72 ILE H    1 73 ILE H    . . 3.850 2.679 2.548 2.765     .  0 0 "[    .    1    .    2]" 1 
       577 1 72 ILE H    1 73 ILE HG13 . . 5.270 4.442 4.353 4.556     .  0 0 "[    .    1    .    2]" 1 
       578 1 72 ILE HA   1 72 ILE HG13 . . 3.680 3.072 2.918 3.170     .  0 0 "[    .    1    .    2]" 1 
       579 1 72 ILE HA   1 72 ILE MG   . . 3.110 2.400 2.357 2.455     .  0 0 "[    .    1    .    2]" 1 
       580 1 72 ILE HA   1 73 ILE HA   . . 5.350 4.854 4.822 4.908     .  0 0 "[    .    1    .    2]" 1 
       581 1 72 ILE HA   1 75 ALA H    . . 3.950 3.423 3.330 3.518     .  0 0 "[    .    1    .    2]" 1 
       582 1 72 ILE HA   1 75 ALA MB   . . 3.180 2.672 2.394 2.864     .  0 0 "[    .    1    .    2]" 1 
       583 1 72 ILE HA   1 76 VAL MG2  . . 4.150 3.909 3.690 4.017     .  0 0 "[    .    1    .    2]" 1 
       584 1 72 ILE HB   1 73 ILE H    . . 3.660 2.429 2.366 2.521     .  0 0 "[    .    1    .    2]" 1 
       585 1 72 ILE HB   1 76 VAL MG2  . . 4.600 4.360 4.249 4.541     .  0 0 "[    .    1    .    2]" 1 
       586 1 72 ILE MD   1 73 ILE H    . . 4.510 4.297 4.177 4.368     .  0 0 "[    .    1    .    2]" 1 
       587 1 72 ILE MG   1 73 ILE H    . . 3.790 3.417 3.303 3.495     .  0 0 "[    .    1    .    2]" 1 
       588 1 72 ILE MG   1 73 ILE HA   . . 3.770 3.608 3.432 3.725     .  0 0 "[    .    1    .    2]" 1 
       589 1 72 ILE MG   1 75 ALA H    . . 5.170 4.471 4.392 4.532     .  0 0 "[    .    1    .    2]" 1 
       590 1 72 ILE MG   1 91 VAL HA   . . 4.040 3.335 3.193 3.515     .  0 0 "[    .    1    .    2]" 1 
       591 1 72 ILE MG   1 94 ALA H    . . 5.500 4.514 4.282 4.706     .  0 0 "[    .    1    .    2]" 1 
       592 1 72 ILE MG   1 94 ALA HA   . . 4.680 4.403 4.041 4.646     .  0 0 "[    .    1    .    2]" 1 
       593 1 72 ILE MG   1 95 VAL H    . . 4.400 3.581 3.227 3.979     .  0 0 "[    .    1    .    2]" 1 
       594 1 72 ILE MG   1 95 VAL HB   . . 4.310 3.812 3.477 4.289     .  0 0 "[    .    1    .    2]" 1 
       595 1 73 ILE H    1 73 ILE HB   . . 3.410 2.512 2.441 2.603     .  0 0 "[    .    1    .    2]" 1 
       596 1 73 ILE H    1 73 ILE MD   . . 4.190 3.520 3.379 3.617     .  0 0 "[    .    1    .    2]" 1 
       597 1 73 ILE H    1 73 ILE HG13 . . 3.570 2.131 2.038 2.193     .  0 0 "[    .    1    .    2]" 1 
       598 1 73 ILE H    1 73 ILE MG   . . 4.000 3.805 3.788 3.824     .  0 0 "[    .    1    .    2]" 1 
       599 1 73 ILE H    1 74 ASN H    . . 3.440 2.938 2.883 3.024     .  0 0 "[    .    1    .    2]" 1 
       600 1 73 ILE H    1 75 ALA H    . . 5.310 4.153 4.044 4.221     .  0 0 "[    .    1    .    2]" 1 
       601 1 73 ILE H    1 94 ALA MB   . . 5.310 5.057 4.886 5.213     .  0 0 "[    .    1    .    2]" 1 
       602 1 73 ILE HA   1 73 ILE MD   . . 4.040 3.871 3.826 3.916     .  0 0 "[    .    1    .    2]" 1 
       603 1 73 ILE HA   1 73 ILE HG13 . . 3.770 2.919 2.840 3.010     .  0 0 "[    .    1    .    2]" 1 
       604 1 73 ILE HA   1 73 ILE MG   . . 3.200 2.463 2.372 2.535     .  0 0 "[    .    1    .    2]" 1 
       605 1 73 ILE HA   1 75 ALA H    . . 4.900 4.068 3.880 4.165     .  0 0 "[    .    1    .    2]" 1 
       606 1 73 ILE HA   1 76 VAL H    . . 4.210 3.318 3.160 3.406     .  0 0 "[    .    1    .    2]" 1 
       607 1 73 ILE HA   1 76 VAL HA   . . 5.500 5.287 5.141 5.437     .  0 0 "[    .    1    .    2]" 1 
       608 1 73 ILE HA   1 76 VAL HB   . . 3.360 2.518 2.360 2.762     .  0 0 "[    .    1    .    2]" 1 
       609 1 73 ILE HA   1 76 VAL MG1  . . 4.410 3.846 3.690 4.072     .  0 0 "[    .    1    .    2]" 1 
       610 1 73 ILE HA   1 76 VAL MG2  . . 3.570 2.977 2.799 3.282     .  0 0 "[    .    1    .    2]" 1 
       611 1 73 ILE HA   1 77 GLU H    . . 4.830 4.073 3.908 4.425     .  0 0 "[    .    1    .    2]" 1 
       612 1 73 ILE HA   1 94 ALA MB   . . 5.500 4.668 4.498 4.876     .  0 0 "[    .    1    .    2]" 1 
       613 1 73 ILE HB   1 73 ILE MD   . . 3.480 2.439 2.364 2.481     .  0 0 "[    .    1    .    2]" 1 
       614 1 73 ILE HB   1 74 ASN H    . . 3.700 2.686 2.588 2.765     .  0 0 "[    .    1    .    2]" 1 
       615 1 73 ILE HB   1 75 ALA H    . . 5.060 5.048 4.947 5.092 0.032 19 0 "[    .    1    .    2]" 1 
       616 1 73 ILE MD   1 73 ILE MG   . . 3.180 2.081 2.036 2.113     .  0 0 "[    .    1    .    2]" 1 
       617 1 73 ILE MD   1 74 ASN H    . . 4.760 4.685 4.616 4.778 0.018 19 0 "[    .    1    .    2]" 1 
       618 1 73 ILE HG13 1 73 ILE MG   . . 3.440 3.236 3.219 3.251     .  0 0 "[    .    1    .    2]" 1 
       619 1 73 ILE HG13 1 74 ASN H    . . 5.500 4.459 4.373 4.510     .  0 0 "[    .    1    .    2]" 1 
       620 1 73 ILE MG   1 74 ASN H    . . 3.960 3.359 3.142 3.534     .  0 0 "[    .    1    .    2]" 1 
       621 1 73 ILE MG   1 74 ASN HA   . . 4.150 3.556 3.332 3.715     .  0 0 "[    .    1    .    2]" 1 
       622 1 73 ILE MG   1 75 ALA H    . . 5.020 4.880 4.705 4.961     .  0 0 "[    .    1    .    2]" 1 
       623 1 73 ILE MG   1 76 VAL HB   . . 4.780 3.657 3.380 4.015     .  0 0 "[    .    1    .    2]" 1 
       624 1 73 ILE MG   1 76 VAL MG1  . . 4.590 4.105 3.811 4.399     .  0 0 "[    .    1    .    2]" 1 
       625 1 73 ILE MG   1 77 GLU H    . . 4.370 4.087 3.897 4.395 0.025  6 0 "[    .    1    .    2]" 1 
       626 1 74 ASN H    1 74 ASN HB3  . . 3.820 3.560 3.536 3.603     .  0 0 "[    .    1    .    2]" 1 
       627 1 74 ASN H    1 74 ASN QD   . . 4.810 2.823 2.299 3.892     .  0 0 "[    .    1    .    2]" 1 
       628 1 74 ASN H    1 75 ALA H    . . 3.600 2.844 2.768 2.895     .  0 0 "[    .    1    .    2]" 1 
       629 1 74 ASN HA   1 77 GLU H    . . 4.400 3.576 3.379 3.759     .  0 0 "[    .    1    .    2]" 1 
       630 1 74 ASN HA   1 77 GLU HG3  . . 4.780 3.460 3.186 3.700     .  0 0 "[    .    1    .    2]" 1 
       631 1 74 ASN HB3  1 75 ALA H    . . 4.420 3.862 3.736 4.184     .  0 0 "[    .    1    .    2]" 1 
       632 1 74 ASN HB3  1 75 ALA MB   . . 4.930 4.607 4.417 4.797     .  0 0 "[    .    1    .    2]" 1 
       633 1 75 ALA H    1 75 ALA MB   . . 2.880 2.255 2.230 2.321     .  0 0 "[    .    1    .    2]" 1 
       634 1 75 ALA H    1 76 VAL H    . . 3.610 2.334 2.181 2.406     .  0 0 "[    .    1    .    2]" 1 
       635 1 75 ALA H    1 76 VAL MG2  . . 3.950 3.971 3.942 3.989 0.039 14 0 "[    .    1    .    2]" 1 
       636 1 75 ALA H    1 77 GLU H    . . 4.350 3.930 3.740 4.083     .  0 0 "[    .    1    .    2]" 1 
       637 1 75 ALA HA   1 77 GLU H    . . 4.890 4.351 4.280 4.440     .  0 0 "[    .    1    .    2]" 1 
       638 1 75 ALA HA   1 78 LYS H    . . 4.070 3.572 3.190 3.848     .  0 0 "[    .    1    .    2]" 1 
       639 1 75 ALA MB   1 76 VAL H    . . 3.340 2.818 2.572 3.034     .  0 0 "[    .    1    .    2]" 1 
       640 1 75 ALA MB   1 77 GLU H    . . 4.680 4.680 4.591 4.735 0.055 15 0 "[    .    1    .    2]" 1 
       641 1 75 ALA MB   1 78 LYS H    . . 4.810 4.657 4.444 4.830 0.020  3 0 "[    .    1    .    2]" 1 
       642 1 75 ALA MB   1 79 GLN QE   . . 4.660 3.604 3.370 4.424     .  0 0 "[    .    1    .    2]" 1 
       643 1 75 ALA MB   1 97 GLU H    . . 4.660 3.717 3.558 3.936     .  0 0 "[    .    1    .    2]" 1 
       644 1 76 VAL H    1 76 VAL HB   . . 3.380 2.392 2.313 2.511     .  0 0 "[    .    1    .    2]" 1 
       645 1 76 VAL H    1 76 VAL MG1  . . 3.910 3.766 3.734 3.803     .  0 0 "[    .    1    .    2]" 1 
       646 1 76 VAL H    1 76 VAL MG2  . . 2.990 2.318 2.166 2.536     .  0 0 "[    .    1    .    2]" 1 
       647 1 76 VAL H    1 77 GLU H    . . 3.430 2.618 2.350 2.809     .  0 0 "[    .    1    .    2]" 1 
       648 1 76 VAL H    1 78 LYS H    . . 4.810 4.174 4.037 4.320     .  0 0 "[    .    1    .    2]" 1 
       649 1 76 VAL H    1 94 ALA MB   . . 3.700 2.987 2.856 3.145     .  0 0 "[    .    1    .    2]" 1 
       650 1 76 VAL HA   1 76 VAL MG1  . . 3.210 2.509 2.456 2.541     .  0 0 "[    .    1    .    2]" 1 
       651 1 76 VAL HA   1 76 VAL MG2  . . 2.810 2.333 2.307 2.350     .  0 0 "[    .    1    .    2]" 1 
       652 1 76 VAL HA   1 78 LYS H    . . 4.730 3.941 3.634 4.299     .  0 0 "[    .    1    .    2]" 1 
       653 1 76 VAL HA   1 79 GLN H    . . 4.400 3.821 3.493 4.009     .  0 0 "[    .    1    .    2]" 1 
       654 1 76 VAL HA   1 79 GLN HE21 . . 4.850 2.586 2.367 4.359     .  0 0 "[    .    1    .    2]" 1 
       655 1 76 VAL HA   1 79 GLN QE   . . 4.060 2.491 2.295 3.711     .  0 0 "[    .    1    .    2]" 1 
       656 1 76 VAL HA   1 79 GLN HE22 . . 4.850 3.366 3.087 4.020     .  0 0 "[    .    1    .    2]" 1 
       657 1 76 VAL HA   1 90 VAL QG   . . 3.730 2.953 2.776 3.082     .  0 0 "[    .    1    .    2]" 1 
       658 1 76 VAL HA   1 94 ALA HA   . . 4.960 4.705 4.463 4.981 0.021  2 0 "[    .    1    .    2]" 1 
       659 1 76 VAL HA   1 94 ALA MB   . . 3.290 2.912 2.689 3.287     .  0 0 "[    .    1    .    2]" 1 
       660 1 76 VAL HB   1 77 GLU H    . . 3.790 2.647 2.607 2.717     .  0 0 "[    .    1    .    2]" 1 
       661 1 76 VAL HB   1 86 ILE MD   . . 4.700 4.276 4.154 4.356     .  0 0 "[    .    1    .    2]" 1 
       662 1 76 VAL HB   1 94 ALA MB   . . 5.110 4.031 3.942 4.145     .  0 0 "[    .    1    .    2]" 1 
       663 1 76 VAL MG1  1 77 GLU H    . . 3.860 3.318 3.235 3.435     .  0 0 "[    .    1    .    2]" 1 
       664 1 76 VAL MG1  1 77 GLU HA   . . 3.930 3.485 3.345 3.626     .  0 0 "[    .    1    .    2]" 1 
       665 1 76 VAL MG1  1 78 LYS H    . . 5.020 4.746 4.547 4.977     .  0 0 "[    .    1    .    2]" 1 
       666 1 76 VAL MG1  1 79 GLN H    . . 4.600 4.507 4.365 4.589     .  0 0 "[    .    1    .    2]" 1 
       667 1 76 VAL MG1  1 94 ALA MB   . . 4.050 3.925 3.837 4.038     .  0 0 "[    .    1    .    2]" 1 
       668 1 76 VAL MG2  1 77 GLU H    . . 3.940 3.957 3.931 3.982 0.042  6 0 "[    .    1    .    2]" 1 
       669 1 76 VAL MG2  1 79 GLN QE   . . 3.530 3.110 2.940 3.538 0.008  1 0 "[    .    1    .    2]" 1 
       670 1 76 VAL MG2  1 94 ALA H    . . 4.450 4.073 4.002 4.234     .  0 0 "[    .    1    .    2]" 1 
       671 1 76 VAL MG2  1 94 ALA HA   . . 4.180 4.163 4.083 4.190 0.010  6 0 "[    .    1    .    2]" 1 
       672 1 76 VAL MG2  1 94 ALA MB   . . 2.780 2.016 1.981 2.051     .  0 0 "[    .    1    .    2]" 1 
       673 1 77 GLU H    1 77 GLU HB3  . . 3.680 3.571 3.524 3.638     .  0 0 "[    .    1    .    2]" 1 
       674 1 77 GLU H    1 77 GLU HG3  . . 3.940 3.140 2.352 3.613     .  0 0 "[    .    1    .    2]" 1 
       675 1 77 GLU H    1 78 LYS H    . . 3.640 2.925 2.807 2.997     .  0 0 "[    .    1    .    2]" 1 
       676 1 77 GLU HA   1 77 GLU HG3  . . 3.880 3.449 2.851 3.751     .  0 0 "[    .    1    .    2]" 1 
       677 1 77 GLU HA   1 79 GLN H    . . 4.460 3.943 3.732 4.170     .  0 0 "[    .    1    .    2]" 1 
       678 1 77 GLU HB3  1 78 LYS H    . . 4.370 3.987 3.740 4.175     .  0 0 "[    .    1    .    2]" 1 
       679 1 78 LYS H    1 78 LYS HB3  . . 3.860 3.359 2.677 3.735     .  0 0 "[    .    1    .    2]" 1 
       680 1 78 LYS H    1 78 LYS HG3  . . 4.130 2.819 2.254 3.298     .  0 0 "[    .    1    .    2]" 1 
       681 1 78 LYS H    1 79 GLN H    . . 3.290 2.475 2.202 2.716     .  0 0 "[    .    1    .    2]" 1 
       682 1 79 GLN H    1 79 GLN HB3  . . 3.720 3.599 3.561 3.636     .  0 0 "[    .    1    .    2]" 1 
       683 1 79 GLN H    1 80 PRO HA   . . 5.350 5.392 5.350 5.414 0.064 13 0 "[    .    1    .    2]" 1 
       684 1 79 GLN HA   1 80 PRO HD3  . . 3.230 2.344 2.124 2.425     .  0 0 "[    .    1    .    2]" 1 
       685 1 79 GLN HB3  1 81 LEU QD   . . 4.090 4.031 3.210 4.111 0.021  4 0 "[    .    1    .    2]" 1 
       686 1 79 GLN QE   1 90 VAL QG   . . 3.890 2.522 2.292 2.613     .  0 0 "[    .    1    .    2]" 1 
       687 1 79 GLN QE   1 91 VAL HA   . . 5.340 3.940 3.810 4.248     .  0 0 "[    .    1    .    2]" 1 
       688 1 79 GLN QE   1 93 ALA MB   . . 4.100 2.521 2.338 2.832     .  0 0 "[    .    1    .    2]" 1 
       689 1 79 GLN QE   1 94 ALA MB   . . 3.630 2.206 2.084 2.588     .  0 0 "[    .    1    .    2]" 1 
       690 1 79 GLN HE21 1 94 ALA MB   . . 4.130 2.550 2.293 4.079     .  0 0 "[    .    1    .    2]" 1 
       691 1 79 GLN HE22 1 94 ALA MB   . . 4.130 2.455 2.245 2.618     .  0 0 "[    .    1    .    2]" 1 
       692 1 80 PRO HA   1 81 LEU H    . . 2.810 2.199 2.134 2.850 0.040 11 0 "[    .    1    .    2]" 1 
       693 1 80 PRO HA   1 81 LEU HG   . . 4.030 3.828 3.589 4.120 0.090 11 0 "[    .    1    .    2]" 1 
       694 1 81 LEU H    1 81 LEU HB3  . . 3.960 3.547 2.575 3.705     .  0 0 "[    .    1    .    2]" 1 
       695 1 81 LEU H    1 81 LEU QD   . . 3.690 2.807 2.558 3.103     .  0 0 "[    .    1    .    2]" 1 
       696 1 81 LEU H    1 81 LEU HG   . . 2.980 2.752 1.936 2.951     .  0 0 "[    .    1    .    2]" 1 
       697 1 81 LEU HA   1 81 LEU QD   . . 3.460 3.443 3.408 3.463 0.003  1 0 "[    .    1    .    2]" 1 
       698 1 81 LEU HA   1 83 SER H    . . 4.200 4.220 4.160 4.309 0.109 10 0 "[    .    1    .    2]" 1 
       699 1 81 LEU HB3  1 81 LEU QD   . . 3.180 2.228 2.183 2.266     .  0 0 "[    .    1    .    2]" 1 
       700 1 81 LEU QD   1 82 SER HA   . . 4.100 3.651 3.411 3.874     .  0 0 "[    .    1    .    2]" 1 
       701 1 81 LEU QD   1 83 SER H    . . 3.830 2.645 1.999 2.897     .  0 0 "[    .    1    .    2]" 1 
       702 1 82 SER H    1 83 SER H    . . 4.290 2.275 2.103 3.069     .  0 0 "[    .    1    .    2]" 1 
       703 1 83 SER HB3  1 85 MET H    . . 4.490 3.348 2.641 4.231     .  0 0 "[    .    1    .    2]" 1 
       704 1 84 ASN H    1 85 MET H    . . 3.720 2.495 1.988 2.738     .  0 0 "[    .    1    .    2]" 1 
       705 1 84 ASN H    1 85 MET ME   . . 5.500 5.543 5.525 5.569 0.069 19 0 "[    .    1    .    2]" 1 
       706 1 85 MET H    1 85 MET ME   . . 5.500 4.371 4.146 4.652     .  0 0 "[    .    1    .    2]" 1 
       707 1 85 MET H    1 85 MET HG3  . . 4.680 3.815 2.376 4.495     .  0 0 "[    .    1    .    2]" 1 
       708 1 85 MET H    1 86 ILE H    . . 4.830 4.480 3.925 4.583     .  0 0 "[    .    1    .    2]" 1 
       709 1 85 MET H    1 86 ILE MD   . . 4.910 4.105 3.858 4.357     .  0 0 "[    .    1    .    2]" 1 
       710 1 85 MET HA   1 85 MET ME   . . 4.030 3.011 2.312 3.391     .  0 0 "[    .    1    .    2]" 1 
       711 1 85 MET HA   1 86 ILE H    . . 3.210 2.167 2.131 2.195     .  0 0 "[    .    1    .    2]" 1 
       712 1 85 MET HA   1 86 ILE HB   . . 4.940 4.604 4.480 4.740     .  0 0 "[    .    1    .    2]" 1 
       713 1 85 MET HA   1 86 ILE MD   . . 4.830 4.076 3.852 4.337     .  0 0 "[    .    1    .    2]" 1 
       714 1 85 MET ME   1 86 ILE H    . . 4.760 4.196 3.372 4.793 0.033  9 0 "[    .    1    .    2]" 1 
       715 1 86 ILE H    1 86 ILE HB   . . 3.620 2.625 2.441 2.719     .  0 0 "[    .    1    .    2]" 1 
       716 1 86 ILE H    1 86 ILE MD   . . 4.300 3.422 2.890 3.566     .  0 0 "[    .    1    .    2]" 1 
       717 1 86 ILE H    1 86 ILE HG13 . . 4.220 4.061 3.656 4.198     .  0 0 "[    .    1    .    2]" 1 
       718 1 86 ILE H    1 86 ILE MG   . . 4.560 3.874 3.778 3.923     .  0 0 "[    .    1    .    2]" 1 
       719 1 86 ILE HA   1 86 ILE MD   . . 3.350 2.267 2.198 2.316     .  0 0 "[    .    1    .    2]" 1 
       720 1 86 ILE HA   1 86 ILE MG   . . 3.310 2.387 2.358 2.435     .  0 0 "[    .    1    .    2]" 1 
       721 1 86 ILE HA   1 87 GLU H    . . 3.060 2.136 2.087 2.232     .  0 0 "[    .    1    .    2]" 1 
       722 1 86 ILE HA   1 90 VAL QG   . . 4.540 2.989 2.700 3.318     .  0 0 "[    .    1    .    2]" 1 
       723 1 86 ILE HA   1 91 VAL QG   . . 5.050 4.703 4.519 4.867     .  0 0 "[    .    1    .    2]" 1 
       724 1 86 ILE HB   1 91 VAL QG   . . 3.940 3.944 3.882 3.963 0.023 20 0 "[    .    1    .    2]" 1 
       725 1 86 ILE MD   1 87 GLU H    . . 4.260 3.916 3.750 4.040     .  0 0 "[    .    1    .    2]" 1 
       726 1 86 ILE HG13 1 86 ILE MG   . . 3.450 2.290 2.255 2.311     .  0 0 "[    .    1    .    2]" 1 
       727 1 86 ILE MG   1 87 GLU H    . . 3.920 3.096 2.403 3.482     .  0 0 "[    .    1    .    2]" 1 
       728 1 86 ILE MG   1 90 VAL HB   . . 3.530 2.429 2.311 2.632     .  0 0 "[    .    1    .    2]" 1 
       729 1 86 ILE MG   1 91 VAL H    . . 4.340 3.368 3.287 3.491     .  0 0 "[    .    1    .    2]" 1 
       730 1 86 ILE MG   1 91 VAL HA   . . 4.870 4.024 3.934 4.125     .  0 0 "[    .    1    .    2]" 1 
       731 1 87 GLU H    1 90 VAL HB   . . 4.420 2.982 2.362 3.266     .  0 0 "[    .    1    .    2]" 1 
       732 1 87 GLU HA   1 88 ARG H    . . 3.280 2.422 2.359 2.484     .  0 0 "[    .    1    .    2]" 1 
       733 1 87 GLU HB3  1 88 ARG H    . . 4.130 3.768 3.713 3.836     .  0 0 "[    .    1    .    2]" 1 
       734 1 87 GLU HB3  1 89 SER H    . . 4.890 4.778 4.710 4.895 0.005  9 0 "[    .    1    .    2]" 1 
       735 1 87 GLU HB3  1 90 VAL H    . . 4.870 4.908 4.893 4.921 0.051  9 0 "[    .    1    .    2]" 1 
       736 1 88 ARG H    1 88 ARG HB3  . . 3.740 2.513 2.422 2.581     .  0 0 "[    .    1    .    2]" 1 
       737 1 88 ARG H    1 89 SER H    . . 4.450 2.894 2.800 2.949     .  0 0 "[    .    1    .    2]" 1 
       738 1 88 ARG H    1 90 VAL HB   . . 5.410 5.453 5.418 5.476 0.066 18 0 "[    .    1    .    2]" 1 
       739 1 88 ARG HA   1 88 ARG HD3  . . 4.830 4.638 4.572 4.687     .  0 0 "[    .    1    .    2]" 1 
       740 1 88 ARG HA   1 90 VAL H    . . 4.990 4.170 4.053 4.259     .  0 0 "[    .    1    .    2]" 1 
       741 1 88 ARG HA   1 91 VAL H    . . 4.340 3.448 3.315 3.596     .  0 0 "[    .    1    .    2]" 1 
       742 1 88 ARG HA   1 91 VAL HB   . . 5.160 3.368 2.647 4.997     .  0 0 "[    .    1    .    2]" 1 
       743 1 88 ARG HA   1 91 VAL QG   . . 3.690 2.866 2.007 3.285     .  0 0 "[    .    1    .    2]" 1 
       744 1 88 ARG HA   1 92 GLU H    . . 4.800 3.910 3.710 4.129     .  0 0 "[    .    1    .    2]" 1 
       745 1 88 ARG HB3  1 88 ARG HD3  . . 3.780 2.499 2.358 2.580     .  0 0 "[    .    1    .    2]" 1 
       746 1 88 ARG HB3  1 89 SER H    . . 4.790 2.559 2.410 2.822     .  0 0 "[    .    1    .    2]" 1 
       747 1 88 ARG HB3  1 89 SER HB3  . . 5.500 5.410 4.153 5.613 0.113 15 0 "[    .    1    .    2]" 1 
       748 1 89 SER H    1 89 SER HB3  . . 3.920 3.188 2.384 3.582     .  0 0 "[    .    1    .    2]" 1 
       749 1 89 SER H    1 90 VAL H    . . 4.180 2.858 2.782 2.892     .  0 0 "[    .    1    .    2]" 1 
       750 1 89 SER HA   1 92 GLU H    . . 4.360 3.583 3.333 3.786     .  0 0 "[    .    1    .    2]" 1 
       751 1 89 SER HA   1 92 GLU HB3  . . 3.880 2.938 2.552 3.911 0.031 20 0 "[    .    1    .    2]" 1 
       752 1 89 SER HA   1 93 ALA H    . . 5.040 4.705 4.547 4.873     .  0 0 "[    .    1    .    2]" 1 
       753 1 89 SER HB3  1 90 VAL H    . . 5.030 3.657 2.767 4.143     .  0 0 "[    .    1    .    2]" 1 
       754 1 90 VAL H    1 90 VAL HB   . . 3.390 2.400 2.346 2.442     .  0 0 "[    .    1    .    2]" 1 
       755 1 90 VAL H    1 90 VAL MG1  . . 4.070 3.776 3.758 3.800     .  0 0 "[    .    1    .    2]" 1 
       756 1 90 VAL H    1 90 VAL QG   . . 3.090 2.319 2.227 2.419     .  0 0 "[    .    1    .    2]" 1 
       757 1 90 VAL H    1 90 VAL MG2  . . 4.070 2.341 2.243 2.448     .  0 0 "[    .    1    .    2]" 1 
       758 1 90 VAL H    1 91 VAL H    . . 3.360 2.587 2.481 2.721     .  0 0 "[    .    1    .    2]" 1 
       759 1 90 VAL H    1 92 GLU H    . . 4.610 3.959 3.858 4.081     .  0 0 "[    .    1    .    2]" 1 
       760 1 90 VAL HA   1 90 VAL MG1  . . 3.400 2.470 2.419 2.529     .  0 0 "[    .    1    .    2]" 1 
       761 1 90 VAL HA   1 90 VAL QG   . . 2.800 2.161 2.138 2.171     .  0 0 "[    .    1    .    2]" 1 
       762 1 90 VAL HA   1 90 VAL MG2  . . 3.400 2.387 2.346 2.416     .  0 0 "[    .    1    .    2]" 1 
       763 1 90 VAL HA   1 93 ALA H    . . 3.970 3.756 3.657 3.913     .  0 0 "[    .    1    .    2]" 1 
       764 1 90 VAL HA   1 93 ALA MB   . . 3.560 3.185 2.995 3.382     .  0 0 "[    .    1    .    2]" 1 
       765 1 90 VAL HA   1 94 ALA H    . . 4.830 4.393 4.264 4.659     .  0 0 "[    .    1    .    2]" 1 
       766 1 90 VAL HA   1 94 ALA MB   . . 4.940 4.697 4.502 4.914     .  0 0 "[    .    1    .    2]" 1 
       767 1 90 VAL HB   1 91 VAL H    . . 3.560 2.664 2.602 2.743     .  0 0 "[    .    1    .    2]" 1 
       768 1 90 VAL HB   1 91 VAL QG   . . 3.850 3.351 3.264 3.481     .  0 0 "[    .    1    .    2]" 1 
       769 1 90 VAL QG   1 91 VAL H    . . 3.220 3.221 3.202 3.227 0.007 14 0 "[    .    1    .    2]" 1 
       770 1 90 VAL QG   1 91 VAL HA   . . 3.620 3.582 3.517 3.621 0.001 12 0 "[    .    1    .    2]" 1 
       771 1 90 VAL QG   1 93 ALA H    . . 5.430 4.497 4.394 4.599     .  0 0 "[    .    1    .    2]" 1 
       772 1 90 VAL QG   1 94 ALA H    . . 4.500 4.176 4.069 4.365     .  0 0 "[    .    1    .    2]" 1 
       773 1 90 VAL QG   1 94 ALA MB   . . 3.960 3.281 3.023 3.481     .  0 0 "[    .    1    .    2]" 1 
       774 1 90 VAL MG1  1 91 VAL H    . . 4.110 3.403 3.381 3.419     .  0 0 "[    .    1    .    2]" 1 
       775 1 90 VAL MG2  1 91 VAL H    . . 4.110 3.982 3.938 4.057     .  0 0 "[    .    1    .    2]" 1 
       776 1 91 VAL H    1 91 VAL HB   . . 3.690 2.849 2.533 3.708 0.018  4 0 "[    .    1    .    2]" 1 
       777 1 91 VAL H    1 91 VAL MG1  . . 3.980 3.480 2.419 3.828     .  0 0 "[    .    1    .    2]" 1 
       778 1 91 VAL H    1 91 VAL QG   . . 3.050 2.114 1.952 2.188     .  0 0 "[    .    1    .    2]" 1 
       779 1 91 VAL H    1 91 VAL MG2  . . 3.980 2.148 2.031 2.202     .  0 0 "[    .    1    .    2]" 1 
       780 1 91 VAL H    1 92 GLU H    . . 3.430 2.678 2.618 2.760     .  0 0 "[    .    1    .    2]" 1 
       781 1 91 VAL HA   1 91 VAL MG1  . . 3.300 2.380 2.258 2.437     .  0 0 "[    .    1    .    2]" 1 
       782 1 91 VAL HA   1 91 VAL MG2  . . 3.300 2.597 2.347 3.259     .  0 0 "[    .    1    .    2]" 1 
       783 1 91 VAL HA   1 94 ALA H    . . 3.910 3.004 2.884 3.140     .  0 0 "[    .    1    .    2]" 1 
       784 1 91 VAL HA   1 94 ALA MB   . . 3.210 2.151 2.067 2.235     .  0 0 "[    .    1    .    2]" 1 
       785 1 91 VAL HA   1 95 VAL HB   . . 4.920 4.782 4.637 4.925 0.005  9 0 "[    .    1    .    2]" 1 
       786 1 91 VAL HA   1 95 VAL MG1  . . 5.060 4.911 4.804 4.963     .  0 0 "[    .    1    .    2]" 1 
       787 1 91 VAL HB   1 92 GLU H    . . 3.990 2.990 2.657 3.852     .  0 0 "[    .    1    .    2]" 1 
       788 1 91 VAL QG   1 92 GLU H    . . 3.500 3.075 2.332 3.337     .  0 0 "[    .    1    .    2]" 1 
       789 1 91 VAL QG   1 92 GLU HA   . . 3.630 3.630 3.579 3.656 0.026 13 0 "[    .    1    .    2]" 1 
       790 1 91 VAL QG   1 94 ALA MB   . . 3.830 3.016 2.894 3.237     .  0 0 "[    .    1    .    2]" 1 
       791 1 91 VAL MG1  1 92 GLU H    . . 4.210 3.710 3.539 4.189     .  0 0 "[    .    1    .    2]" 1 
       792 1 91 VAL MG1  1 94 ALA H    . . 5.090 4.476 4.285 4.759     .  0 0 "[    .    1    .    2]" 1 
       793 1 91 VAL MG2  1 92 GLU H    . . 4.210 3.534 2.346 3.982     .  0 0 "[    .    1    .    2]" 1 
       794 1 91 VAL MG2  1 94 ALA H    . . 5.090 4.958 4.879 5.097 0.007 16 0 "[    .    1    .    2]" 1 
       795 1 92 GLU H    1 92 GLU HB3  . . 3.770 2.859 2.622 3.580     .  0 0 "[    .    1    .    2]" 1 
       796 1 92 GLU H    1 92 GLU HG3  . . 4.630 3.911 2.485 4.302     .  0 0 "[    .    1    .    2]" 1 
       797 1 92 GLU H    1 93 ALA H    . . 3.740 2.802 2.688 2.898     .  0 0 "[    .    1    .    2]" 1 
       798 1 92 GLU H    1 93 ALA MB   . . 4.690 4.495 4.392 4.598     .  0 0 "[    .    1    .    2]" 1 
       799 1 92 GLU HA   1 92 GLU HG3  . . 3.950 2.544 2.384 2.904     .  0 0 "[    .    1    .    2]" 1 
       800 1 92 GLU HA   1 94 ALA H    . . 4.740 4.645 4.448 4.742 0.002  8 0 "[    .    1    .    2]" 1 
       801 1 92 GLU HA   1 95 VAL H    . . 4.630 4.039 3.877 4.116     .  0 0 "[    .    1    .    2]" 1 
       802 1 92 GLU HA   1 95 VAL HB   . . 4.130 4.067 3.829 4.170 0.040 18 0 "[    .    1    .    2]" 1 
       803 1 92 GLU HA   1 95 VAL MG1  . . 3.750 2.583 2.355 2.714     .  0 0 "[    .    1    .    2]" 1 
       804 1 92 GLU HA   1 96 GLN H    . . 5.260 5.207 5.049 5.285 0.025 19 0 "[    .    1    .    2]" 1 
       805 1 92 GLU HB3  1 93 ALA H    . . 3.940 3.226 2.958 3.944 0.004 13 0 "[    .    1    .    2]" 1 
       806 1 92 GLU HG3  1 93 ALA H    . . 5.260 5.077 4.870 5.257     .  0 0 "[    .    1    .    2]" 1 
       807 1 93 ALA H    1 93 ALA MB   . . 2.930 2.293 2.270 2.321     .  0 0 "[    .    1    .    2]" 1 
       808 1 93 ALA H    1 94 ALA H    . . 3.600 2.272 2.181 2.346     .  0 0 "[    .    1    .    2]" 1 
       809 1 93 ALA H    1 94 ALA MB   . . 4.410 3.944 3.843 4.019     .  0 0 "[    .    1    .    2]" 1 
       810 1 93 ALA H    1 96 GLN HG3  . . 5.500 5.532 5.519 5.544 0.044  1 0 "[    .    1    .    2]" 1 
       811 1 93 ALA HA   1 95 VAL H    . . 4.770 4.438 4.381 4.494     .  0 0 "[    .    1    .    2]" 1 
       812 1 93 ALA HA   1 95 VAL MG1  . . 3.870 3.876 3.811 3.897 0.027 18 0 "[    .    1    .    2]" 1 
       813 1 93 ALA HA   1 96 GLN H    . . 3.690 3.620 3.524 3.702 0.012 11 0 "[    .    1    .    2]" 1 
       814 1 93 ALA MB   1 94 ALA H    . . 3.310 2.769 2.714 2.870     .  0 0 "[    .    1    .    2]" 1 
       815 1 93 ALA MB   1 96 GLN HG3  . . 5.060 4.103 4.009 4.288     .  0 0 "[    .    1    .    2]" 1 
       816 1 94 ALA H    1 94 ALA MB   . . 2.930 2.199 2.182 2.215     .  0 0 "[    .    1    .    2]" 1 
       817 1 94 ALA H    1 95 VAL H    . . 3.650 2.725 2.622 2.775     .  0 0 "[    .    1    .    2]" 1 
       818 1 94 ALA H    1 95 VAL MG1  . . 4.700 4.048 3.875 4.200     .  0 0 "[    .    1    .    2]" 1 
       819 1 94 ALA HA   1 97 GLU H    . . 4.080 3.642 3.505 3.923     .  0 0 "[    .    1    .    2]" 1 
       820 1 94 ALA HA   1 98 SER H    . . 4.900 4.878 4.461 4.958 0.058  5 0 "[    .    1    .    2]" 1 
       821 1 94 ALA MB   1 95 VAL H    . . 3.490 2.617 2.546 2.682     .  0 0 "[    .    1    .    2]" 1 
       822 1 94 ALA MB   1 95 VAL HB   . . 4.420 4.116 4.036 4.172     .  0 0 "[    .    1    .    2]" 1 
       823 1 94 ALA MB   1 96 GLN H    . . 5.120 4.464 4.411 4.528     .  0 0 "[    .    1    .    2]" 1 
       824 1 94 ALA MB   1 97 GLU H    . . 5.500 4.636 4.561 4.761     .  0 0 "[    .    1    .    2]" 1 
       825 1 95 VAL H    1 95 VAL HB   . . 3.300 2.382 2.361 2.415     .  0 0 "[    .    1    .    2]" 1 
       826 1 95 VAL H    1 95 VAL MG1  . . 3.820 2.306 2.266 2.378     .  0 0 "[    .    1    .    2]" 1 
       827 1 95 VAL H    1 95 VAL MG2  . . 3.850 3.759 3.751 3.771     .  0 0 "[    .    1    .    2]" 1 
       828 1 95 VAL H    1 96 GLN H    . . 3.610 2.782 2.756 2.798     .  0 0 "[    .    1    .    2]" 1 
       829 1 95 VAL HA   1 95 VAL MG1  . . 3.240 3.248 3.241 3.254 0.014 18 0 "[    .    1    .    2]" 1 
       830 1 95 VAL HA   1 96 GLN HA   . . 5.030 4.870 4.846 4.902     .  0 0 "[    .    1    .    2]" 1 
       831 1 95 VAL HB   1 96 GLN H    . . 4.200 4.045 4.008 4.072     .  0 0 "[    .    1    .    2]" 1 
       832 1 95 VAL MG1  1 96 GLN H    . . 3.660 2.449 2.401 2.481     .  0 0 "[    .    1    .    2]" 1 
       833 1 95 VAL MG1  1 96 GLN HA   . . 3.610 3.347 3.175 3.430     .  0 0 "[    .    1    .    2]" 1 
       834 1 95 VAL MG2  1 96 GLN H    . . 3.990 3.985 3.942 4.004 0.014 12 0 "[    .    1    .    2]" 1 
       835 1 95 VAL MG2  1 96 GLN HA   . . 4.630 4.142 4.069 4.220     .  0 0 "[    .    1    .    2]" 1 
       836 1 95 VAL MG2  1 99 SER H    . . 4.260 4.104 3.556 4.308 0.048  7 0 "[    .    1    .    2]" 1 
       837 1 96 GLN H    1 96 GLN HG3  . . 4.020 3.500 3.449 3.551     .  0 0 "[    .    1    .    2]" 1 
       838 1 96 GLN H    1 99 SER H    . . 5.170 5.148 4.942 5.220 0.050 19 0 "[    .    1    .    2]" 1 
       839 1 96 GLN HA   1 96 GLN HG3  . . 4.010 3.899 3.876 3.921     .  0 0 "[    .    1    .    2]" 1 
       840 1 97 GLU H    1 98 SER H    . . 3.620 2.259 2.072 2.501     .  0 0 "[    .    1    .    2]" 1 
       841 1 97 GLU H    1 99 SER H    . . 5.380 4.004 3.630 4.269     .  0 0 "[    .    1    .    2]" 1 
       842 1 97 GLU HA   1 97 GLU HG3  . . 4.200 3.404 2.775 3.840     .  0 0 "[    .    1    .    2]" 1 
       843 1 98 SER H    1 98 SER HB3  . . 4.000 2.989 2.362 3.690     .  0 0 "[    .    1    .    2]" 1 
    stop_

save_



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