NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype subsubtype
404063 1wwu cing 4-filtered-FRED Wattos check violation distance


data_1wwu


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              1900
    _Distance_constraint_stats_list.Viol_count                    467
    _Distance_constraint_stats_list.Viol_total                    87.934
    _Distance_constraint_stats_list.Viol_max                      0.159
    _Distance_constraint_stats_list.Viol_rms                      0.0025
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0001
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0094
    _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  9 ARG 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 10 VAL 0.004 0.004  8 0 "[    .    1    .    2]" 
       1 11 GLU 0.004 0.004  8 0 "[    .    1    .    2]" 
       1 12 ARG 0.027 0.025 14 0 "[    .    1    .    2]" 
       1 18 GLN 0.023 0.005  8 0 "[    .    1    .    2]" 
       1 19 PRO 0.034 0.011  8 0 "[    .    1    .    2]" 
       1 20 LEU 0.078 0.018  8 0 "[    .    1    .    2]" 
       1 21 THR 0.026 0.007 20 0 "[    .    1    .    2]" 
       1 22 TYR 0.002 0.001  8 0 "[    .    1    .    2]" 
       1 23 GLU 0.001 0.000  4 0 "[    .    1    .    2]" 
       1 24 SER 0.011 0.003  8 0 "[    .    1    .    2]" 
       1 25 GLY 0.001 0.001 12 0 "[    .    1    .    2]" 
       1 26 PRO 0.028 0.018  6 0 "[    .    1    .    2]" 
       1 27 ASP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 28 GLU 0.016 0.003  8 0 "[    .    1    .    2]" 
       1 29 VAL 0.028 0.008  6 0 "[    .    1    .    2]" 
       1 30 ARG 0.016 0.003  8 0 "[    .    1    .    2]" 
       1 31 ALA 0.018 0.005  8 0 "[    .    1    .    2]" 
       1 32 TRP 0.053 0.011  8 0 "[    .    1    .    2]" 
       1 33 LEU 0.026 0.004  8 0 "[    .    1    .    2]" 
       1 34 GLU 0.043 0.010 20 0 "[    .    1    .    2]" 
       1 35 ALA 0.061 0.009 20 0 "[    .    1    .    2]" 
       1 36 LYS 0.026 0.010 20 0 "[    .    1    .    2]" 
       1 37 ALA 0.030 0.009 20 0 "[    .    1    .    2]" 
       1 38 PHE 0.287 0.052 16 0 "[    .    1    .    2]" 
       1 39 SER 0.475 0.133 13 0 "[    .    1    .    2]" 
       1 40 PRO 0.368 0.133 13 0 "[    .    1    .    2]" 
       1 41 ARG 0.079 0.054 20 0 "[    .    1    .    2]" 
       1 42 ILE 0.486 0.054 20 0 "[    .    1    .    2]" 
       1 43 VAL 0.148 0.035 16 0 "[    .    1    .    2]" 
       1 44 GLU 0.180 0.159 14 0 "[    .    1    .    2]" 
       1 45 ASN 0.020 0.016 20 0 "[    .    1    .    2]" 
       1 46 LEU 0.023 0.004  8 0 "[    .    1    .    2]" 
       1 47 GLY 0.082 0.021 15 0 "[    .    1    .    2]" 
       1 48 ILE 0.007 0.004  6 0 "[    .    1    .    2]" 
       1 49 LEU 0.016 0.005 15 0 "[    .    1    .    2]" 
       1 50 THR 0.031 0.018  6 0 "[    .    1    .    2]" 
       1 51 GLY 0.064 0.012  2 0 "[    .    1    .    2]" 
       1 52 PRO 0.000 0.000 17 0 "[    .    1    .    2]" 
       1 53 GLN 0.056 0.007 15 0 "[    .    1    .    2]" 
       1 54 LEU 0.123 0.012  2 0 "[    .    1    .    2]" 
       1 55 PHE 0.026 0.004  6 0 "[    .    1    .    2]" 
       1 56 SER 0.007 0.003 15 0 "[    .    1    .    2]" 
       1 57 LEU 0.043 0.008 12 0 "[    .    1    .    2]" 
       1 58 ASN 0.078 0.059 11 0 "[    .    1    .    2]" 
       1 59 LYS 0.037 0.004 17 0 "[    .    1    .    2]" 
       1 60 GLU 0.044 0.014 19 0 "[    .    1    .    2]" 
       1 61 GLU 0.104 0.059 11 0 "[    .    1    .    2]" 
       1 62 LEU 0.086 0.016 11 0 "[    .    1    .    2]" 
       1 63 LYS 0.066 0.008 10 0 "[    .    1    .    2]" 
       1 64 LYS 0.128 0.048 11 0 "[    .    1    .    2]" 
       1 65 VAL 1.218 0.117 11 0 "[    .    1    .    2]" 
       1 66 CYS 1.281 0.117 11 0 "[    .    1    .    2]" 
       1 67 GLY 0.013 0.006 11 0 "[    .    1    .    2]" 
       1 68 GLU 0.002 0.001 16 0 "[    .    1    .    2]" 
       1 69 GLU 0.024 0.008 11 0 "[    .    1    .    2]" 
       1 70 GLY 0.090 0.012 11 0 "[    .    1    .    2]" 
       1 71 VAL 0.024 0.005 16 0 "[    .    1    .    2]" 
       1 72 ARG 0.401 0.086 16 0 "[    .    1    .    2]" 
       1 73 VAL 0.037 0.009 16 0 "[    .    1    .    2]" 
       1 74 TYR 0.057 0.009 11 0 "[    .    1    .    2]" 
       1 75 SER 0.299 0.063 16 0 "[    .    1    .    2]" 
       1 76 GLN 0.035 0.015 16 0 "[    .    1    .    2]" 
       1 77 LEU 0.014 0.007 16 0 "[    .    1    .    2]" 
       1 78 THR 0.033 0.008 16 0 "[    .    1    .    2]" 
       1 79 MET 0.012 0.007 16 0 "[    .    1    .    2]" 
       1 80 GLN 0.007 0.004 15 0 "[    .    1    .    2]" 
       1 81 LYS 0.009 0.008 16 0 "[    .    1    .    2]" 
       1 82 ALA 0.012 0.006 16 0 "[    .    1    .    2]" 
       1 83 PHE 0.011 0.009 17 0 "[    .    1    .    2]" 
       1 84 LEU 0.083 0.043  5 0 "[    .    1    .    2]" 
       1 85 GLU 0.154 0.106 17 0 "[    .    1    .    2]" 
       1 86 LYS 0.154 0.106 17 0 "[    .    1    .    2]" 
       1 87 GLN 0.084 0.043  5 0 "[    .    1    .    2]" 
       1 88 GLN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 92 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 93 LEU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 95 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 96 PRO 0.000 0.000  . 0 "[    .    1    .    2]" 
    stop_

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

          1 1  9 ARG HA   1  9 ARG HD2  . . 5.500 3.746 2.170 5.247     .  0 0 "[    .    1    .    2]" 1 
          2 1  9 ARG HA   1  9 ARG QD   . . 4.680 3.273 2.067 4.251     .  0 0 "[    .    1    .    2]" 1 
          3 1  9 ARG HA   1  9 ARG HD3  . . 5.500 3.928 2.377 5.158     .  0 0 "[    .    1    .    2]" 1 
          4 1  9 ARG HA   1 10 VAL H    . . 3.280 2.360 2.141 2.795     .  0 0 "[    .    1    .    2]" 1 
          5 1  9 ARG QB   1  9 ARG QD   . . 3.190 2.273 2.050 2.627     .  0 0 "[    .    1    .    2]" 1 
          6 1 10 VAL H    1 10 VAL HB   . . 3.970 3.176 2.509 3.912     .  0 0 "[    .    1    .    2]" 1 
          7 1 10 VAL H    1 10 VAL MG1  . . 4.750 3.047 2.102 3.884     .  0 0 "[    .    1    .    2]" 1 
          8 1 10 VAL H    1 10 VAL QG   . . 3.940 2.232 1.846 2.933     .  0 0 "[    .    1    .    2]" 1 
          9 1 10 VAL H    1 10 VAL MG2  . . 4.750 2.596 1.961 4.026     .  0 0 "[    .    1    .    2]" 1 
         10 1 10 VAL HA   1 11 GLU H    . . 3.470 2.459 2.141 3.474 0.004  8 0 "[    .    1    .    2]" 1 
         11 1 10 VAL HB   1 11 GLU H    . . 4.660 3.817 2.467 4.618     .  0 0 "[    .    1    .    2]" 1 
         12 1 10 VAL QG   1 11 GLU H    . . 4.780 2.925 1.890 3.542     .  0 0 "[    .    1    .    2]" 1 
         13 1 11 GLU H    1 11 GLU HG2  . . 5.500 4.102 2.064 5.256     .  0 0 "[    .    1    .    2]" 1 
         14 1 11 GLU H    1 11 GLU QG   . . 4.820 3.540 2.036 4.476     .  0 0 "[    .    1    .    2]" 1 
         15 1 11 GLU H    1 11 GLU HG3  . . 5.500 4.058 2.792 5.003     .  0 0 "[    .    1    .    2]" 1 
         16 1 11 GLU QG   1 12 ARG H    . . 5.340 3.522 2.259 4.301     .  0 0 "[    .    1    .    2]" 1 
         17 1 12 ARG HA   1 12 ARG HD2  . . 5.430 4.226 2.387 5.346     .  0 0 "[    .    1    .    2]" 1 
         18 1 12 ARG HA   1 12 ARG QD   . . 4.650 3.779 2.313 4.566     .  0 0 "[    .    1    .    2]" 1 
         19 1 12 ARG HA   1 12 ARG HD3  . . 5.430 4.413 2.497 5.455 0.025 14 0 "[    .    1    .    2]" 1 
         20 1 12 ARG QB   1 12 ARG QD   . . 3.280 2.194 2.032 2.544     .  0 0 "[    .    1    .    2]" 1 
         21 1 18 GLN HA   1 18 GLN QG   . . 3.680 2.707 2.197 3.095     .  0 0 "[    .    1    .    2]" 1 
         22 1 18 GLN HA   1 19 PRO HD2  . . 2.980 2.156 1.994 2.273     .  0 0 "[    .    1    .    2]" 1 
         23 1 18 GLN HA   1 19 PRO HD3  . . 3.190 2.261 2.251 2.309     .  0 0 "[    .    1    .    2]" 1 
         24 1 18 GLN HA   1 19 PRO HG2  . . 4.840 4.317 4.188 4.409     .  0 0 "[    .    1    .    2]" 1 
         25 1 18 GLN HA   1 19 PRO HG3  . . 5.250 4.355 4.315 4.401     .  0 0 "[    .    1    .    2]" 1 
         26 1 18 GLN QB   1 19 PRO HD2  . . 3.750 2.942 2.273 3.581     .  0 0 "[    .    1    .    2]" 1 
         27 1 18 GLN QB   1 31 ALA MB   . . 4.290 3.933 3.334 4.284     .  0 0 "[    .    1    .    2]" 1 
         28 1 18 GLN QB   1 32 TRP HA   . . 3.920 2.267 1.992 2.516     .  0 0 "[    .    1    .    2]" 1 
         29 1 18 GLN QB   1 32 TRP HD1  . . 3.980 2.660 2.027 3.114     .  0 0 "[    .    1    .    2]" 1 
         30 1 18 GLN QB   1 32 TRP HE1  . . 5.200 4.627 4.054 5.190     .  0 0 "[    .    1    .    2]" 1 
         31 1 18 GLN QB   1 35 ALA MB   . . 3.770 2.607 1.899 3.183     .  0 0 "[    .    1    .    2]" 1 
         32 1 18 GLN HB2  1 19 PRO HD2  . . 4.440 3.950 3.754 4.156     .  0 0 "[    .    1    .    2]" 1 
         33 1 18 GLN HB2  1 31 ALA MB   . . 5.120 4.550 4.007 4.966     .  0 0 "[    .    1    .    2]" 1 
         34 1 18 GLN HB2  1 32 TRP HA   . . 4.470 2.773 2.229 3.505     .  0 0 "[    .    1    .    2]" 1 
         35 1 18 GLN HB2  1 32 TRP HD1  . . 4.590 3.480 2.427 4.588     .  0 0 "[    .    1    .    2]" 1 
         36 1 18 GLN HB2  1 35 ALA MB   . . 4.440 2.694 1.945 3.276     .  0 0 "[    .    1    .    2]" 1 
         37 1 18 GLN HB3  1 19 PRO HD2  . . 4.440 3.152 2.292 4.381     .  0 0 "[    .    1    .    2]" 1 
         38 1 18 GLN HB3  1 31 ALA MB   . . 5.120 4.325 3.565 4.829     .  0 0 "[    .    1    .    2]" 1 
         39 1 18 GLN HB3  1 32 TRP HA   . . 4.470 2.898 2.011 3.714     .  0 0 "[    .    1    .    2]" 1 
         40 1 18 GLN HB3  1 32 TRP HD1  . . 4.590 3.223 2.035 4.290     .  0 0 "[    .    1    .    2]" 1 
         41 1 18 GLN HB3  1 35 ALA MB   . . 4.440 3.561 2.437 4.387     .  0 0 "[    .    1    .    2]" 1 
         42 1 18 GLN HE21 1 19 PRO HD2  . . 4.730 3.550 2.416 4.516     .  0 0 "[    .    1    .    2]" 1 
         43 1 18 GLN HE21 1 31 ALA MB   . . 4.460 3.324 2.494 4.460     .  0 0 "[    .    1    .    2]" 1 
         44 1 18 GLN HE21 1 35 ALA MB   . . 5.420 4.424 2.626 5.226     .  0 0 "[    .    1    .    2]" 1 
         45 1 18 GLN HE22 1 19 PRO HD2  . . 4.730 3.606 2.846 4.231     .  0 0 "[    .    1    .    2]" 1 
         46 1 18 GLN HE22 1 31 ALA MB   . . 4.460 4.152 3.526 4.465 0.005  8 0 "[    .    1    .    2]" 1 
         47 1 18 GLN HE22 1 35 ALA MB   . . 5.420 5.273 3.996 5.421 0.001  3 0 "[    .    1    .    2]" 1 
         48 1 18 GLN QG   1 19 PRO HD2  . . 4.780 3.178 1.979 4.318     .  0 0 "[    .    1    .    2]" 1 
         49 1 18 GLN QG   1 31 ALA MB   . . 3.830 3.064 2.431 3.720     .  0 0 "[    .    1    .    2]" 1 
         50 1 18 GLN QG   1 32 TRP H    . . 4.990 4.260 2.995 4.991 0.001 11 0 "[    .    1    .    2]" 1 
         51 1 18 GLN QG   1 32 TRP HA   . . 4.000 2.863 1.939 3.303     .  0 0 "[    .    1    .    2]" 1 
         52 1 18 GLN QG   1 35 ALA H    . . 5.340 4.375 3.969 4.922     .  0 0 "[    .    1    .    2]" 1 
         53 1 18 GLN QG   1 35 ALA MB   . . 3.560 2.580 2.081 3.181     .  0 0 "[    .    1    .    2]" 1 
         54 1 18 GLN HG2  1 19 PRO HD2  . . 5.500 3.889 1.989 4.752     .  0 0 "[    .    1    .    2]" 1 
         55 1 18 GLN HG2  1 32 TRP HA   . . 4.610 3.630 1.998 4.614 0.004  5 0 "[    .    1    .    2]" 1 
         56 1 18 GLN HG2  1 32 TRP HD1  . . 5.500 4.868 3.802 5.435     .  0 0 "[    .    1    .    2]" 1 
         57 1 18 GLN HG2  1 35 ALA MB   . . 4.150 2.951 2.250 4.147     .  0 0 "[    .    1    .    2]" 1 
         58 1 18 GLN HG3  1 19 PRO HD2  . . 5.500 3.677 1.994 4.957     .  0 0 "[    .    1    .    2]" 1 
         59 1 18 GLN HG3  1 32 TRP HA   . . 4.610 3.228 2.615 3.492     .  0 0 "[    .    1    .    2]" 1 
         60 1 18 GLN HG3  1 32 TRP HD1  . . 5.500 4.542 2.704 5.493     .  0 0 "[    .    1    .    2]" 1 
         61 1 18 GLN HG3  1 35 ALA MB   . . 4.150 3.120 2.375 4.154 0.004  8 0 "[    .    1    .    2]" 1 
         62 1 19 PRO HA   1 20 LEU H    . . 2.660 2.171 2.151 2.226     .  0 0 "[    .    1    .    2]" 1 
         63 1 19 PRO HA   1 21 THR MG   . . 4.870 4.455 4.248 4.669     .  0 0 "[    .    1    .    2]" 1 
         64 1 19 PRO HA   1 32 TRP HE1  . . 5.500 5.449 5.254 5.511 0.011  8 0 "[    .    1    .    2]" 1 
         65 1 19 PRO HA   1 80 GLN HE21 . . 4.830 3.669 2.947 4.244     .  0 0 "[    .    1    .    2]" 1 
         66 1 19 PRO HA   1 80 GLN HE22 . . 4.830 3.194 2.672 3.807     .  0 0 "[    .    1    .    2]" 1 
         67 1 19 PRO HB2  1 20 LEU H    . . 3.850 3.506 3.134 3.760     .  0 0 "[    .    1    .    2]" 1 
         68 1 19 PRO HB2  1 21 THR MG   . . 3.970 3.642 3.424 3.725     .  0 0 "[    .    1    .    2]" 1 
         69 1 19 PRO HB3  1 20 LEU H    . . 4.170 3.987 3.746 4.158     .  0 0 "[    .    1    .    2]" 1 
         70 1 19 PRO HB3  1 21 THR MG   . . 4.680 4.641 4.476 4.687 0.007 20 0 "[    .    1    .    2]" 1 
         71 1 19 PRO HG2  1 21 THR MG   . . 5.500 5.367 5.068 5.499     .  0 0 "[    .    1    .    2]" 1 
         72 1 20 LEU H    1 20 LEU HB2  . . 3.540 2.896 2.622 3.052     .  0 0 "[    .    1    .    2]" 1 
         73 1 20 LEU H    1 20 LEU QB   . . 3.070 2.605 2.429 2.753     .  0 0 "[    .    1    .    2]" 1 
         74 1 20 LEU H    1 20 LEU HB3  . . 3.540 2.965 2.721 3.137     .  0 0 "[    .    1    .    2]" 1 
         75 1 20 LEU H    1 20 LEU MD1  . . 4.730 4.500 4.043 4.734 0.004  4 0 "[    .    1    .    2]" 1 
         76 1 20 LEU H    1 20 LEU QD   . . 4.050 3.834 3.672 3.915     .  0 0 "[    .    1    .    2]" 1 
         77 1 20 LEU H    1 20 LEU MD2  . . 4.730 4.169 4.123 4.213     .  0 0 "[    .    1    .    2]" 1 
         78 1 20 LEU H    1 20 LEU HG   . . 4.940 4.774 4.553 4.958 0.018  8 0 "[    .    1    .    2]" 1 
         79 1 20 LEU H    1 21 THR H    . . 4.430 4.190 3.986 4.392     .  0 0 "[    .    1    .    2]" 1 
         80 1 20 LEU H    1 21 THR MG   . . 3.790 3.376 3.114 3.749     .  0 0 "[    .    1    .    2]" 1 
         81 1 20 LEU H    1 32 TRP HE1  . . 5.170 4.859 4.506 5.173 0.003  5 0 "[    .    1    .    2]" 1 
         82 1 20 LEU H    1 80 GLN HE21 . . 4.000 2.157 1.806 2.411     .  0 0 "[    .    1    .    2]" 1 
         83 1 20 LEU H    1 80 GLN QE   . . 3.470 2.050 1.774 2.305     .  0 0 "[    .    1    .    2]" 1 
         84 1 20 LEU H    1 80 GLN HE22 . . 4.000 2.691 1.906 3.413     .  0 0 "[    .    1    .    2]" 1 
         85 1 20 LEU H    1 80 GLN HG2  . . 5.160 4.150 3.322 4.616     .  0 0 "[    .    1    .    2]" 1 
         86 1 20 LEU H    1 80 GLN QG   . . 4.320 3.839 3.196 4.235     .  0 0 "[    .    1    .    2]" 1 
         87 1 20 LEU H    1 80 GLN HG3  . . 5.160 4.568 4.005 5.070     .  0 0 "[    .    1    .    2]" 1 
         88 1 20 LEU HA   1 20 LEU MD1  . . 4.470 3.633 2.975 3.831     .  0 0 "[    .    1    .    2]" 1 
         89 1 20 LEU HA   1 20 LEU QD   . . 3.130 2.189 1.891 2.500     .  0 0 "[    .    1    .    2]" 1 
         90 1 20 LEU HA   1 20 LEU MD2  . . 4.470 2.209 1.907 2.535     .  0 0 "[    .    1    .    2]" 1 
         91 1 20 LEU HA   1 21 THR H    . . 2.820 2.143 2.138 2.151     .  0 0 "[    .    1    .    2]" 1 
         92 1 20 LEU HA   1 21 THR MG   . . 4.370 3.581 3.257 3.796     .  0 0 "[    .    1    .    2]" 1 
         93 1 20 LEU QB   1 20 LEU QD   . . 2.770 1.949 1.914 2.035     .  0 0 "[    .    1    .    2]" 1 
         94 1 20 LEU QB   1 21 THR H    . . 4.280 3.745 3.663 3.836     .  0 0 "[    .    1    .    2]" 1 
         95 1 20 LEU QB   1 32 TRP QB   . . 4.690 2.926 2.566 3.279     .  0 0 "[    .    1    .    2]" 1 
         96 1 20 LEU QB   1 32 TRP HD1  . . 3.880 2.371 2.072 2.712     .  0 0 "[    .    1    .    2]" 1 
         97 1 20 LEU QB   1 32 TRP HE1  . . 3.850 3.242 3.037 3.381     .  0 0 "[    .    1    .    2]" 1 
         98 1 20 LEU QB   1 55 PHE QE   . . 5.340 4.032 3.592 4.756     .  0 0 "[    .    1    .    2]" 1 
         99 1 20 LEU QB   1 55 PHE HZ   . . 4.860 3.008 2.329 4.024     .  0 0 "[    .    1    .    2]" 1 
        100 1 20 LEU QB   1 80 GLN QE   . . 3.390 2.513 1.867 3.222     .  0 0 "[    .    1    .    2]" 1 
        101 1 20 LEU QB   1 80 GLN QG   . . 3.800 2.329 2.020 3.297     .  0 0 "[    .    1    .    2]" 1 
        102 1 20 LEU HB2  1 21 THR H    . . 5.090 4.435 4.321 4.536     .  0 0 "[    .    1    .    2]" 1 
        103 1 20 LEU HB2  1 32 TRP HD1  . . 4.610 2.391 2.083 2.738     .  0 0 "[    .    1    .    2]" 1 
        104 1 20 LEU HB2  1 32 TRP HE1  . . 4.460 3.444 3.226 3.584     .  0 0 "[    .    1    .    2]" 1 
        105 1 20 LEU HB2  1 80 GLN HE21 . . 5.110 3.514 2.746 3.968     .  0 0 "[    .    1    .    2]" 1 
        106 1 20 LEU HB2  1 80 GLN HE22 . . 5.110 4.102 2.829 4.781     .  0 0 "[    .    1    .    2]" 1 
        107 1 20 LEU HB3  1 21 THR H    . . 5.090 4.039 3.919 4.138     .  0 0 "[    .    1    .    2]" 1 
        108 1 20 LEU HB3  1 32 TRP HD1  . . 4.610 3.926 3.610 4.370     .  0 0 "[    .    1    .    2]" 1 
        109 1 20 LEU HB3  1 32 TRP HE1  . . 4.460 3.980 3.508 4.368     .  0 0 "[    .    1    .    2]" 1 
        110 1 20 LEU HB3  1 80 GLN HE21 . . 5.110 2.702 1.909 3.575     .  0 0 "[    .    1    .    2]" 1 
        111 1 20 LEU HB3  1 80 GLN HE22 . . 5.110 3.867 2.193 4.863     .  0 0 "[    .    1    .    2]" 1 
        112 1 20 LEU QD   1 21 THR H    . . 3.450 2.203 1.913 2.565     .  0 0 "[    .    1    .    2]" 1 
        113 1 20 LEU QD   1 24 SER H    . . 4.590 4.062 3.934 4.277     .  0 0 "[    .    1    .    2]" 1 
        114 1 20 LEU QD   1 24 SER QB   . . 3.420 2.430 2.233 2.721     .  0 0 "[    .    1    .    2]" 1 
        115 1 20 LEU QD   1 24 SER HG   . . 4.710 3.145 1.961 4.190     .  0 0 "[    .    1    .    2]" 1 
        116 1 20 LEU QD   1 28 GLU HB2  . . 4.070 3.906 3.487 4.071 0.001 18 0 "[    .    1    .    2]" 1 
        117 1 20 LEU QD   1 28 GLU HB3  . . 5.440 4.236 3.399 4.629     .  0 0 "[    .    1    .    2]" 1 
        118 1 20 LEU QD   1 29 VAL H    . . 4.400 4.225 3.662 4.403 0.003 18 0 "[    .    1    .    2]" 1 
        119 1 20 LEU QD   1 29 VAL HA   . . 3.230 2.760 2.053 3.106     .  0 0 "[    .    1    .    2]" 1 
        120 1 20 LEU QD   1 29 VAL MG1  . . 3.850 3.280 3.126 3.461     .  0 0 "[    .    1    .    2]" 1 
        121 1 20 LEU QD   1 29 VAL MG2  . . 3.050 2.544 2.360 2.696     .  0 0 "[    .    1    .    2]" 1 
        122 1 20 LEU QD   1 32 TRP H    . . 5.060 4.284 3.737 4.815     .  0 0 "[    .    1    .    2]" 1 
        123 1 20 LEU QD   1 32 TRP HA   . . 5.440 4.549 4.295 5.054     .  0 0 "[    .    1    .    2]" 1 
        124 1 20 LEU QD   1 32 TRP QB   . . 3.560 2.424 2.133 2.985     .  0 0 "[    .    1    .    2]" 1 
        125 1 20 LEU QD   1 32 TRP HD1  . . 4.440 3.522 3.159 3.984     .  0 0 "[    .    1    .    2]" 1 
        126 1 20 LEU QD   1 32 TRP HE1  . . 4.490 3.743 3.280 4.490     . 13 0 "[    .    1    .    2]" 1 
        127 1 20 LEU QD   1 32 TRP HE3  . . 4.650 3.185 2.713 3.809     .  0 0 "[    .    1    .    2]" 1 
        128 1 20 LEU QD   1 32 TRP HZ2  . . 4.830 4.153 3.799 4.822     .  0 0 "[    .    1    .    2]" 1 
        129 1 20 LEU QD   1 32 TRP HZ3  . . 5.040 4.148 3.815 4.613     .  0 0 "[    .    1    .    2]" 1 
        130 1 20 LEU QD   1 51 GLY H    . . 4.940 4.837 4.634 4.941 0.001  7 0 "[    .    1    .    2]" 1 
        131 1 20 LEU QD   1 51 GLY HA2  . . 4.440 2.926 2.668 3.217     .  0 0 "[    .    1    .    2]" 1 
        132 1 20 LEU QD   1 51 GLY HA3  . . 4.160 3.678 3.487 3.897     .  0 0 "[    .    1    .    2]" 1 
        133 1 20 LEU QD   1 54 LEU HB2  . . 5.230 4.779 4.394 5.152     .  0 0 "[    .    1    .    2]" 1 
        134 1 20 LEU QD   1 54 LEU HB3  . . 4.830 3.967 3.663 4.320     .  0 0 "[    .    1    .    2]" 1 
        135 1 20 LEU QD   1 54 LEU HG   . . 5.030 4.158 3.792 4.620     .  0 0 "[    .    1    .    2]" 1 
        136 1 20 LEU QD   1 55 PHE QD   . . 5.440 3.707 3.522 3.967     .  0 0 "[    .    1    .    2]" 1 
        137 1 20 LEU QD   1 55 PHE QE   . . 4.120 2.319 2.107 2.710     .  0 0 "[    .    1    .    2]" 1 
        138 1 20 LEU QD   1 55 PHE HZ   . . 4.020 2.112 1.853 2.373     .  0 0 "[    .    1    .    2]" 1 
        139 1 20 LEU QD   1 77 LEU HA   . . 5.440 4.547 4.076 5.026     .  0 0 "[    .    1    .    2]" 1 
        140 1 20 LEU QD   1 77 LEU QD   . . 3.210 2.832 2.333 3.090     .  0 0 "[    .    1    .    2]" 1 
        141 1 20 LEU QD   1 80 GLN HB3  . . 4.410 3.961 3.600 4.250     .  0 0 "[    .    1    .    2]" 1 
        142 1 20 LEU QD   1 80 GLN QE   . . 4.800 3.689 3.204 4.306     .  0 0 "[    .    1    .    2]" 1 
        143 1 20 LEU QD   1 80 GLN QG   . . 3.610 2.877 2.533 3.312     .  0 0 "[    .    1    .    2]" 1 
        144 1 20 LEU MD1  1 21 THR H    . . 4.940 4.130 2.470 4.884     .  0 0 "[    .    1    .    2]" 1 
        145 1 20 LEU MD1  1 29 VAL HA   . . 4.400 3.525 2.875 4.400     .  0 0 "[    .    1    .    2]" 1 
        146 1 20 LEU MD1  1 29 VAL MG1  . . 4.810 3.692 3.252 4.515     .  0 0 "[    .    1    .    2]" 1 
        147 1 20 LEU MD1  1 29 VAL MG2  . . 4.200 3.422 3.161 3.592     .  0 0 "[    .    1    .    2]" 1 
        148 1 20 LEU MD1  1 32 TRP HB2  . . 4.750 3.484 2.766 4.662     .  0 0 "[    .    1    .    2]" 1 
        149 1 20 LEU MD1  1 32 TRP HB3  . . 4.750 3.177 2.304 4.689     .  0 0 "[    .    1    .    2]" 1 
        150 1 20 LEU MD1  1 32 TRP HD1  . . 5.160 3.892 3.195 5.130     .  0 0 "[    .    1    .    2]" 1 
        151 1 20 LEU MD1  1 32 TRP HE3  . . 5.500 3.410 2.723 4.603     .  0 0 "[    .    1    .    2]" 1 
        152 1 20 LEU MD1  1 54 LEU MD2  . . 3.610 2.562 2.049 3.331     .  0 0 "[    .    1    .    2]" 1 
        153 1 20 LEU MD1  1 55 PHE QE   . . 5.040 2.864 2.156 3.296     .  0 0 "[    .    1    .    2]" 1 
        154 1 20 LEU MD2  1 21 THR H    . . 4.940 2.250 1.915 2.608     .  0 0 "[    .    1    .    2]" 1 
        155 1 20 LEU MD2  1 29 VAL HA   . . 4.400 3.134 2.057 3.691     .  0 0 "[    .    1    .    2]" 1 
        156 1 20 LEU MD2  1 29 VAL MG1  . . 4.810 3.889 3.323 4.233     .  0 0 "[    .    1    .    2]" 1 
        157 1 20 LEU MD2  1 29 VAL MG2  . . 4.200 2.630 2.409 2.875     .  0 0 "[    .    1    .    2]" 1 
        158 1 20 LEU MD2  1 32 TRP HB2  . . 4.750 3.718 2.202 4.454     .  0 0 "[    .    1    .    2]" 1 
        159 1 20 LEU MD2  1 32 TRP HB3  . . 4.750 4.037 2.702 4.645     .  0 0 "[    .    1    .    2]" 1 
        160 1 20 LEU MD2  1 32 TRP HD1  . . 5.160 4.707 3.748 5.162 0.002  6 0 "[    .    1    .    2]" 1 
        161 1 20 LEU MD2  1 32 TRP HE3  . . 5.500 5.012 3.677 5.499     .  0 0 "[    .    1    .    2]" 1 
        162 1 20 LEU MD2  1 54 LEU MD2  . . 3.610 3.284 2.947 3.596     .  0 0 "[    .    1    .    2]" 1 
        163 1 20 LEU MD2  1 55 PHE QE   . . 5.040 2.877 2.191 4.653     .  0 0 "[    .    1    .    2]" 1 
        164 1 20 LEU HG   1 21 THR H    . . 4.640 4.215 3.793 4.643 0.003  7 0 "[    .    1    .    2]" 1 
        165 1 20 LEU HG   1 32 TRP H    . . 5.500 4.737 4.199 5.506 0.006  8 0 "[    .    1    .    2]" 1 
        166 1 20 LEU HG   1 32 TRP QB   . . 5.000 2.580 2.218 2.994     .  0 0 "[    .    1    .    2]" 1 
        167 1 20 LEU HG   1 32 TRP HD1  . . 5.320 3.938 3.659 4.168     .  0 0 "[    .    1    .    2]" 1 
        168 1 20 LEU HG   1 55 PHE QE   . . 5.120 4.912 4.575 5.124 0.004  6 0 "[    .    1    .    2]" 1 
        169 1 20 LEU HG   1 55 PHE HZ   . . 4.820 4.514 4.205 4.801     .  0 0 "[    .    1    .    2]" 1 
        170 1 20 LEU HG   1 80 GLN QG   . . 5.340 4.782 4.019 5.322     .  0 0 "[    .    1    .    2]" 1 
        171 1 21 THR H    1 21 THR MG   . . 3.500 2.816 2.609 3.098     .  0 0 "[    .    1    .    2]" 1 
        172 1 21 THR H    1 22 TYR H    . . 4.980 4.400 4.366 4.440     .  0 0 "[    .    1    .    2]" 1 
        173 1 21 THR H    1 23 GLU H    . . 4.820 4.663 4.323 4.820 0.000  4 0 "[    .    1    .    2]" 1 
        174 1 21 THR H    1 24 SER H    . . 3.760 3.632 3.504 3.762 0.002 16 0 "[    .    1    .    2]" 1 
        175 1 21 THR H    1 24 SER HB2  . . 4.050 2.781 2.220 3.778     .  0 0 "[    .    1    .    2]" 1 
        176 1 21 THR H    1 24 SER QB   . . 3.500 2.338 2.200 2.570     .  0 0 "[    .    1    .    2]" 1 
        177 1 21 THR H    1 24 SER HB3  . . 4.050 3.306 2.255 3.883     .  0 0 "[    .    1    .    2]" 1 
        178 1 21 THR H    1 24 SER HG   . . 4.000 3.248 2.658 3.796     .  0 0 "[    .    1    .    2]" 1 
        179 1 21 THR H    1 28 GLU HB2  . . 5.280 5.231 5.086 5.282 0.002  7 0 "[    .    1    .    2]" 1 
        180 1 21 THR HA   1 21 THR MG   . . 3.350 2.457 2.306 2.638     .  0 0 "[    .    1    .    2]" 1 
        181 1 21 THR HA   1 22 TYR H    . . 3.200 2.594 2.533 2.642     .  0 0 "[    .    1    .    2]" 1 
        182 1 21 THR HA   1 23 GLU H    . . 4.490 4.335 4.119 4.472     .  0 0 "[    .    1    .    2]" 1 
        183 1 21 THR HA   1 55 PHE QE   . . 4.940 3.295 2.870 3.639     .  0 0 "[    .    1    .    2]" 1 
        184 1 21 THR HA   1 84 LEU MD1  . . 3.620 2.251 1.966 2.799     .  0 0 "[    .    1    .    2]" 1 
        185 1 21 THR HA   1 84 LEU MD2  . . 3.660 2.346 1.956 3.045     .  0 0 "[    .    1    .    2]" 1 
        186 1 21 THR MG   1 22 TYR H    . . 3.800 3.662 3.571 3.794     .  0 0 "[    .    1    .    2]" 1 
        187 1 21 THR MG   1 23 GLU H    . . 4.380 4.187 4.042 4.277     .  0 0 "[    .    1    .    2]" 1 
        188 1 21 THR MG   1 24 SER H    . . 4.830 4.733 4.541 4.830 0.000 17 0 "[    .    1    .    2]" 1 
        189 1 21 THR MG   1 84 LEU MD1  . . 4.250 3.343 2.506 3.761     .  0 0 "[    .    1    .    2]" 1 
        190 1 21 THR MG   1 84 LEU HG   . . 4.250 4.177 3.642 4.250 0.000  6 0 "[    .    1    .    2]" 1 
        191 1 22 TYR H    1 22 TYR HB2  . . 3.190 2.403 2.322 2.528     .  0 0 "[    .    1    .    2]" 1 
        192 1 22 TYR H    1 22 TYR HB3  . . 3.780 3.587 3.568 3.607     .  0 0 "[    .    1    .    2]" 1 
        193 1 22 TYR H    1 22 TYR QD   . . 3.750 2.184 1.908 2.931     .  0 0 "[    .    1    .    2]" 1 
        194 1 22 TYR H    1 22 TYR QE   . . 4.690 4.284 4.038 4.558     .  0 0 "[    .    1    .    2]" 1 
        195 1 22 TYR H    1 23 GLU H    . . 3.370 2.482 2.434 2.527     .  0 0 "[    .    1    .    2]" 1 
        196 1 22 TYR H    1 23 GLU HB2  . . 4.490 4.465 4.393 4.490 0.000 10 0 "[    .    1    .    2]" 1 
        197 1 22 TYR H    1 23 GLU HB3  . . 5.500 5.150 5.111 5.206     .  0 0 "[    .    1    .    2]" 1 
        198 1 22 TYR H    1 24 SER H    . . 4.200 3.980 3.918 4.090     .  0 0 "[    .    1    .    2]" 1 
        199 1 22 TYR H    1 24 SER QB   . . 5.340 4.935 4.837 5.198     .  0 0 "[    .    1    .    2]" 1 
        200 1 22 TYR H    1 84 LEU MD1  . . 4.050 3.387 2.879 3.918     .  0 0 "[    .    1    .    2]" 1 
        201 1 22 TYR H    1 84 LEU MD2  . . 4.410 3.506 2.872 3.991     .  0 0 "[    .    1    .    2]" 1 
        202 1 22 TYR HA   1 22 TYR QD   . . 4.050 3.001 2.408 3.143     .  0 0 "[    .    1    .    2]" 1 
        203 1 22 TYR HA   1 24 SER H    . . 4.000 3.545 3.421 3.676     .  0 0 "[    .    1    .    2]" 1 
        204 1 22 TYR HA   1 52 PRO HD3  . . 4.040 2.875 2.620 3.013     .  0 0 "[    .    1    .    2]" 1 
        205 1 22 TYR HA   1 52 PRO HG3  . . 4.920 4.778 4.540 4.920     .  0 0 "[    .    1    .    2]" 1 
        206 1 22 TYR HA   1 55 PHE QD   . . 4.510 3.541 3.357 3.824     .  0 0 "[    .    1    .    2]" 1 
        207 1 22 TYR HB2  1 23 GLU H    . . 4.270 2.971 2.833 3.197     .  0 0 "[    .    1    .    2]" 1 
        208 1 22 TYR HB3  1 23 GLU H    . . 4.460 3.860 3.706 4.061     .  0 0 "[    .    1    .    2]" 1 
        209 1 22 TYR HB3  1 52 PRO HA   . . 5.220 4.535 3.901 4.826     .  0 0 "[    .    1    .    2]" 1 
        210 1 22 TYR HB3  1 52 PRO HG3  . . 4.310 4.141 3.709 4.302     .  0 0 "[    .    1    .    2]" 1 
        211 1 22 TYR QD   1 52 PRO HA   . . 4.200 2.706 2.011 3.245     .  0 0 "[    .    1    .    2]" 1 
        212 1 22 TYR QD   1 52 PRO HB3  . . 4.810 2.223 1.999 2.461     .  0 0 "[    .    1    .    2]" 1 
        213 1 22 TYR QD   1 52 PRO HG3  . . 4.340 4.114 3.878 4.296     .  0 0 "[    .    1    .    2]" 1 
        214 1 22 TYR QD   1 55 PHE QD   . . 4.640 3.436 2.563 4.083     .  0 0 "[    .    1    .    2]" 1 
        215 1 22 TYR QD   1 84 LEU MD1  . . 4.510 2.987 2.098 4.243     .  0 0 "[    .    1    .    2]" 1 
        216 1 22 TYR QE   1 52 PRO HA   . . 4.370 3.333 2.690 3.746     .  0 0 "[    .    1    .    2]" 1 
        217 1 22 TYR QE   1 55 PHE HB2  . . 4.310 3.339 2.453 3.911     .  0 0 "[    .    1    .    2]" 1 
        218 1 22 TYR QE   1 55 PHE HB3  . . 4.180 3.700 2.951 4.181 0.001  8 0 "[    .    1    .    2]" 1 
        219 1 22 TYR QE   1 84 LEU HB2  . . 4.510 3.005 2.271 4.160     .  0 0 "[    .    1    .    2]" 1 
        220 1 22 TYR QE   1 84 LEU HB3  . . 4.550 2.995 2.171 3.715     .  0 0 "[    .    1    .    2]" 1 
        221 1 22 TYR QE   1 84 LEU MD1  . . 3.980 2.474 1.867 3.727     .  0 0 "[    .    1    .    2]" 1 
        222 1 23 GLU H    1 23 GLU HB2  . . 3.260 2.292 2.244 2.393     .  0 0 "[    .    1    .    2]" 1 
        223 1 23 GLU H    1 23 GLU HB3  . . 3.250 2.844 2.810 2.868     .  0 0 "[    .    1    .    2]" 1 
        224 1 23 GLU H    1 23 GLU HG2  . . 4.920 4.529 4.215 4.672     .  0 0 "[    .    1    .    2]" 1 
        225 1 23 GLU H    1 23 GLU QG   . . 4.230 3.977 3.862 4.106     .  0 0 "[    .    1    .    2]" 1 
        226 1 23 GLU H    1 23 GLU HG3  . . 4.920 4.420 4.184 4.573     .  0 0 "[    .    1    .    2]" 1 
        227 1 23 GLU H    1 24 SER H    . . 2.820 2.532 2.410 2.626     .  0 0 "[    .    1    .    2]" 1 
        228 1 23 GLU H    1 24 SER HA   . . 5.420 5.022 4.897 5.123     .  0 0 "[    .    1    .    2]" 1 
        229 1 23 GLU H    1 24 SER QB   . . 4.390 4.295 4.133 4.383     .  0 0 "[    .    1    .    2]" 1 
        230 1 23 GLU HA   1 23 GLU HG2  . . 3.850 3.106 2.342 3.658     .  0 0 "[    .    1    .    2]" 1 
        231 1 23 GLU HA   1 23 GLU QG   . . 3.330 2.436 2.250 2.716     .  0 0 "[    .    1    .    2]" 1 
        232 1 23 GLU HA   1 23 GLU HG3  . . 3.850 2.750 2.339 3.606     .  0 0 "[    .    1    .    2]" 1 
        233 1 23 GLU HB2  1 24 SER H    . . 4.140 4.045 3.933 4.114     .  0 0 "[    .    1    .    2]" 1 
        234 1 23 GLU HB3  1 24 SER H    . . 3.840 3.442 3.266 3.564     .  0 0 "[    .    1    .    2]" 1 
        235 1 24 SER H    1 24 SER QB   . . 2.960 2.225 2.162 2.474     .  0 0 "[    .    1    .    2]" 1 
        236 1 24 SER H    1 24 SER HG   . . 4.160 3.628 2.574 4.160     .  0 0 "[    .    1    .    2]" 1 
        237 1 24 SER H    1 25 GLY H    . . 4.630 4.540 4.468 4.600     .  0 0 "[    .    1    .    2]" 1 
        238 1 24 SER H    1 29 VAL MG2  . . 5.370 5.092 4.850 5.336     .  0 0 "[    .    1    .    2]" 1 
        239 1 24 SER H    1 51 GLY H    . . 5.070 4.683 4.363 4.944     .  0 0 "[    .    1    .    2]" 1 
        240 1 24 SER H    1 51 GLY HA2  . . 4.880 4.646 4.369 4.874     .  0 0 "[    .    1    .    2]" 1 
        241 1 24 SER HA   1 25 GLY H    . . 2.720 2.308 2.143 2.655     .  0 0 "[    .    1    .    2]" 1 
        242 1 24 SER HA   1 28 GLU HB2  . . 3.950 3.737 3.587 3.930     .  0 0 "[    .    1    .    2]" 1 
        243 1 24 SER HA   1 28 GLU HG2  . . 5.350 3.944 3.665 4.711     .  0 0 "[    .    1    .    2]" 1 
        244 1 24 SER HA   1 28 GLU QG   . . 4.580 3.212 2.952 3.989     .  0 0 "[    .    1    .    2]" 1 
        245 1 24 SER HA   1 28 GLU HG3  . . 5.350 3.413 3.066 4.316     .  0 0 "[    .    1    .    2]" 1 
        246 1 24 SER QB   1 25 GLY H    . . 3.960 2.901 2.053 3.398     .  0 0 "[    .    1    .    2]" 1 
        247 1 24 SER QB   1 28 GLU H    . . 4.400 4.108 3.964 4.280     .  0 0 "[    .    1    .    2]" 1 
        248 1 24 SER QB   1 28 GLU HB2  . . 3.270 2.009 1.990 2.078     .  0 0 "[    .    1    .    2]" 1 
        249 1 24 SER QB   1 28 GLU QG   . . 3.960 3.080 2.681 3.543     .  0 0 "[    .    1    .    2]" 1 
        250 1 24 SER QB   1 29 VAL H    . . 4.080 3.625 3.375 3.819     .  0 0 "[    .    1    .    2]" 1 
        251 1 24 SER QB   1 29 VAL MG2  . . 3.430 3.070 2.758 3.353     .  0 0 "[    .    1    .    2]" 1 
        252 1 24 SER QB   1 51 GLY H    . . 4.560 4.308 3.964 4.545     .  0 0 "[    .    1    .    2]" 1 
        253 1 24 SER QB   1 51 GLY HA2  . . 4.490 3.739 3.385 4.115     .  0 0 "[    .    1    .    2]" 1 
        254 1 24 SER HB2  1 25 GLY H    . . 4.550 3.722 2.065 4.466     .  0 0 "[    .    1    .    2]" 1 
        255 1 24 SER HB2  1 28 GLU HB2  . . 3.910 3.204 1.999 3.747     .  0 0 "[    .    1    .    2]" 1 
        256 1 24 SER HB2  1 28 GLU HG2  . . 5.500 4.895 3.449 5.453     .  0 0 "[    .    1    .    2]" 1 
        257 1 24 SER HB2  1 28 GLU HG3  . . 5.500 4.262 2.826 4.807     .  0 0 "[    .    1    .    2]" 1 
        258 1 24 SER HB2  1 29 VAL MG2  . . 4.090 3.677 3.138 4.035     .  0 0 "[    .    1    .    2]" 1 
        259 1 24 SER HB3  1 25 GLY H    . . 4.550 3.397 2.691 3.909     .  0 0 "[    .    1    .    2]" 1 
        260 1 24 SER HB3  1 28 GLU HB2  . . 3.910 2.521 1.999 3.767     .  0 0 "[    .    1    .    2]" 1 
        261 1 24 SER HB3  1 28 GLU HG2  . . 5.500 4.233 3.585 5.502 0.002  8 0 "[    .    1    .    2]" 1 
        262 1 24 SER HB3  1 28 GLU HG3  . . 5.500 3.826 3.010 5.503 0.003  8 0 "[    .    1    .    2]" 1 
        263 1 24 SER HB3  1 29 VAL MG2  . . 4.090 3.419 2.874 4.091 0.001  8 0 "[    .    1    .    2]" 1 
        264 1 24 SER HG   1 25 GLY H    . . 4.620 4.168 3.306 4.620 0.000 12 0 "[    .    1    .    2]" 1 
        265 1 25 GLY H    1 26 PRO QD   . . 4.520 4.100 4.017 4.227     .  0 0 "[    .    1    .    2]" 1 
        266 1 25 GLY H    1 28 GLU H    . . 3.910 3.460 2.966 3.909     .  0 0 "[    .    1    .    2]" 1 
        267 1 25 GLY H    1 28 GLU HB2  . . 3.910 3.184 2.366 3.889     .  0 0 "[    .    1    .    2]" 1 
        268 1 25 GLY H    1 28 GLU QG   . . 4.030 2.738 2.309 3.010     .  0 0 "[    .    1    .    2]" 1 
        269 1 25 GLY H    1 29 VAL H    . . 4.980 4.264 3.209 4.900     .  0 0 "[    .    1    .    2]" 1 
        270 1 25 GLY H    1 29 VAL MG2  . . 5.040 4.326 3.403 4.905     .  0 0 "[    .    1    .    2]" 1 
        271 1 25 GLY H    1 50 THR MG   . . 5.500 5.286 4.769 5.501 0.001 12 0 "[    .    1    .    2]" 1 
        272 1 25 GLY H    1 51 GLY H    . . 5.260 4.557 3.881 4.884     .  0 0 "[    .    1    .    2]" 1 
        273 1 25 GLY QA   1 26 PRO QD   . . 2.800 1.945 1.920 1.971     .  0 0 "[    .    1    .    2]" 1 
        274 1 25 GLY QA   1 26 PRO HG3  . . 4.960 4.265 4.256 4.272     .  0 0 "[    .    1    .    2]" 1 
        275 1 25 GLY QA   1 27 ASP H    . . 4.780 3.152 3.022 3.365     .  0 0 "[    .    1    .    2]" 1 
        276 1 25 GLY QA   1 50 THR MG   . . 4.700 2.727 2.127 3.024     .  0 0 "[    .    1    .    2]" 1 
        277 1 25 GLY QA   1 51 GLY H    . . 3.630 2.622 2.206 2.910     .  0 0 "[    .    1    .    2]" 1 
        278 1 25 GLY HA2  1 26 PRO HD2  . . 3.720 3.044 2.972 3.109     .  0 0 "[    .    1    .    2]" 1 
        279 1 25 GLY HA2  1 26 PRO HD3  . . 3.720 2.753 2.685 2.818     .  0 0 "[    .    1    .    2]" 1 
        280 1 25 GLY HA3  1 26 PRO HD2  . . 3.720 2.059 2.017 2.107     .  0 0 "[    .    1    .    2]" 1 
        281 1 25 GLY HA3  1 26 PRO HD3  . . 3.720 2.880 2.814 2.953     .  0 0 "[    .    1    .    2]" 1 
        282 1 26 PRO HA   1 28 GLU H    . . 4.580 4.208 4.075 4.279     .  0 0 "[    .    1    .    2]" 1 
        283 1 26 PRO HA   1 29 VAL H    . . 3.890 3.513 3.236 3.868     .  0 0 "[    .    1    .    2]" 1 
        284 1 26 PRO HA   1 29 VAL HB   . . 3.510 2.437 2.122 2.841     .  0 0 "[    .    1    .    2]" 1 
        285 1 26 PRO HA   1 29 VAL MG1  . . 4.310 3.752 3.517 4.094     .  0 0 "[    .    1    .    2]" 1 
        286 1 26 PRO HA   1 29 VAL MG2  . . 3.700 3.034 2.583 3.632     .  0 0 "[    .    1    .    2]" 1 
        287 1 26 PRO HA   1 30 ARG H    . . 4.110 4.057 3.917 4.112 0.002  6 0 "[    .    1    .    2]" 1 
        288 1 26 PRO HA   1 48 ILE HA   . . 4.690 4.413 4.027 4.694 0.004  6 0 "[    .    1    .    2]" 1 
        289 1 26 PRO HA   1 50 THR HA   . . 3.730 2.952 2.776 3.174     .  0 0 "[    .    1    .    2]" 1 
        290 1 26 PRO HB2  1 27 ASP H    . . 3.880 3.567 3.296 3.742     .  0 0 "[    .    1    .    2]" 1 
        291 1 26 PRO HB2  1 27 ASP HA   . . 4.570 4.175 4.058 4.272     .  0 0 "[    .    1    .    2]" 1 
        292 1 26 PRO HB2  1 28 GLU H    . . 5.500 5.425 5.260 5.501 0.001 10 0 "[    .    1    .    2]" 1 
        293 1 26 PRO HB2  1 48 ILE HA   . . 3.730 3.144 2.813 3.380     .  0 0 "[    .    1    .    2]" 1 
        294 1 26 PRO HB3  1 27 ASP H    . . 4.590 4.276 4.117 4.378     .  0 0 "[    .    1    .    2]" 1 
        295 1 26 PRO HB3  1 48 ILE H    . . 5.500 5.274 4.933 5.499     .  0 0 "[    .    1    .    2]" 1 
        296 1 26 PRO HB3  1 48 ILE HA   . . 3.650 3.444 3.084 3.625     .  0 0 "[    .    1    .    2]" 1 
        297 1 26 PRO HB3  1 49 LEU H    . . 4.550 4.378 4.085 4.532     .  0 0 "[    .    1    .    2]" 1 
        298 1 26 PRO HB3  1 50 THR MG   . . 4.610 3.103 2.925 3.239     .  0 0 "[    .    1    .    2]" 1 
        299 1 26 PRO QD   1 27 ASP H    . . 3.880 2.656 2.601 2.737     .  0 0 "[    .    1    .    2]" 1 
        300 1 26 PRO QD   1 50 THR HA   . . 3.680 2.798 2.555 3.008     .  0 0 "[    .    1    .    2]" 1 
        301 1 26 PRO QD   1 50 THR MG   . . 3.210 1.889 1.774 2.003     .  0 0 "[    .    1    .    2]" 1 
        302 1 26 PRO HD2  1 27 ASP H    . . 4.750 2.706 2.646 2.794     .  0 0 "[    .    1    .    2]" 1 
        303 1 26 PRO HD2  1 50 THR HA   . . 4.310 4.188 3.978 4.309     .  0 0 "[    .    1    .    2]" 1 
        304 1 26 PRO HD2  1 50 THR MG   . . 3.760 3.286 3.096 3.459     .  0 0 "[    .    1    .    2]" 1 
        305 1 26 PRO HD3  1 27 ASP H    . . 4.750 3.872 3.835 3.920     .  0 0 "[    .    1    .    2]" 1 
        306 1 26 PRO HD3  1 50 THR HA   . . 4.310 2.842 2.586 3.075     .  0 0 "[    .    1    .    2]" 1 
        307 1 26 PRO HD3  1 50 THR MG   . . 3.760 1.901 1.785 2.018     .  0 0 "[    .    1    .    2]" 1 
        308 1 26 PRO HG2  1 27 ASP H    . . 4.690 2.689 2.322 2.952     .  0 0 "[    .    1    .    2]" 1 
        309 1 26 PRO HG2  1 50 THR MG   . . 4.250 4.215 4.128 4.268 0.018  6 0 "[    .    1    .    2]" 1 
        310 1 26 PRO HG3  1 48 ILE HA   . . 5.500 5.083 4.783 5.477     .  0 0 "[    .    1    .    2]" 1 
        311 1 26 PRO HG3  1 50 THR HA   . . 4.880 4.504 4.198 4.875     .  0 0 "[    .    1    .    2]" 1 
        312 1 26 PRO HG3  1 50 THR MG   . . 3.600 3.115 2.989 3.255     .  0 0 "[    .    1    .    2]" 1 
        313 1 27 ASP H    1 27 ASP HB2  . . 4.010 2.597 2.241 3.540     .  0 0 "[    .    1    .    2]" 1 
        314 1 27 ASP H    1 27 ASP QB   . . 3.370 2.452 2.218 2.925     .  0 0 "[    .    1    .    2]" 1 
        315 1 27 ASP H    1 27 ASP HB3  . . 4.010 3.343 2.528 3.647     .  0 0 "[    .    1    .    2]" 1 
        316 1 27 ASP H    1 28 GLU H    . . 3.110 2.472 2.218 2.717     .  0 0 "[    .    1    .    2]" 1 
        317 1 27 ASP HA   1 29 VAL H    . . 5.070 4.790 4.616 5.046     .  0 0 "[    .    1    .    2]" 1 
        318 1 27 ASP HA   1 30 ARG H    . . 4.320 4.121 3.987 4.256     .  0 0 "[    .    1    .    2]" 1 
        319 1 27 ASP HA   1 30 ARG HB2  . . 4.580 4.471 4.134 4.575     .  0 0 "[    .    1    .    2]" 1 
        320 1 27 ASP HA   1 30 ARG HB3  . . 4.440 3.706 3.480 4.029     .  0 0 "[    .    1    .    2]" 1 
        321 1 27 ASP HA   1 31 ALA H    . . 5.270 5.043 4.765 5.213     .  0 0 "[    .    1    .    2]" 1 
        322 1 27 ASP QB   1 28 GLU H    . . 3.600 2.808 2.602 3.465     .  0 0 "[    .    1    .    2]" 1 
        323 1 28 GLU H    1 28 GLU HB2  . . 2.860 2.619 2.528 2.720     .  0 0 "[    .    1    .    2]" 1 
        324 1 28 GLU H    1 28 GLU QG   . . 3.110 2.220 2.045 2.347     .  0 0 "[    .    1    .    2]" 1 
        325 1 28 GLU H    1 29 VAL H    . . 3.020 2.342 2.238 2.500     .  0 0 "[    .    1    .    2]" 1 
        326 1 28 GLU H    1 29 VAL MG2  . . 4.200 4.127 4.037 4.185     .  0 0 "[    .    1    .    2]" 1 
        327 1 28 GLU H    1 30 ARG H    . . 4.340 3.932 3.722 4.135     .  0 0 "[    .    1    .    2]" 1 
        328 1 28 GLU H    1 30 ARG HB3  . . 5.500 5.275 4.990 5.499     .  0 0 "[    .    1    .    2]" 1 
        329 1 28 GLU HA   1 28 GLU HG2  . . 4.150 3.223 2.774 3.452     .  0 0 "[    .    1    .    2]" 1 
        330 1 28 GLU HA   1 28 GLU QG   . . 3.550 3.024 2.566 3.205     .  0 0 "[    .    1    .    2]" 1 
        331 1 28 GLU HA   1 28 GLU HG3  . . 4.150 3.675 2.976 3.871     .  0 0 "[    .    1    .    2]" 1 
        332 1 28 GLU HA   1 30 ARG H    . . 4.730 4.062 3.863 4.312     .  0 0 "[    .    1    .    2]" 1 
        333 1 28 GLU HA   1 31 ALA H    . . 3.510 3.178 3.072 3.366     .  0 0 "[    .    1    .    2]" 1 
        334 1 28 GLU HA   1 31 ALA MB   . . 3.470 2.468 2.315 2.655     .  0 0 "[    .    1    .    2]" 1 
        335 1 28 GLU HB2  1 29 VAL H    . . 3.270 2.575 2.306 2.781     .  0 0 "[    .    1    .    2]" 1 
        336 1 28 GLU HB2  1 29 VAL HA   . . 4.830 4.060 3.964 4.141     .  0 0 "[    .    1    .    2]" 1 
        337 1 28 GLU HB2  1 29 VAL MG2  . . 3.970 3.473 3.285 3.609     .  0 0 "[    .    1    .    2]" 1 
        338 1 28 GLU HB3  1 29 VAL HA   . . 5.500 4.633 4.494 4.755     .  0 0 "[    .    1    .    2]" 1 
        339 1 28 GLU HB3  1 31 ALA MB   . . 4.990 3.856 3.681 4.154     .  0 0 "[    .    1    .    2]" 1 
        340 1 28 GLU QG   1 29 VAL H    . . 3.920 3.815 3.652 3.907     .  0 0 "[    .    1    .    2]" 1 
        341 1 28 GLU HG2  1 31 ALA MB   . . 5.500 5.229 4.625 5.502 0.002 20 0 "[    .    1    .    2]" 1 
        342 1 28 GLU HG3  1 31 ALA MB   . . 5.500 5.434 5.144 5.501 0.001 10 0 "[    .    1    .    2]" 1 
        343 1 29 VAL H    1 29 VAL HB   . . 3.390 2.426 2.378 2.505     .  0 0 "[    .    1    .    2]" 1 
        344 1 29 VAL H    1 29 VAL MG1  . . 3.930 3.744 3.728 3.765     .  0 0 "[    .    1    .    2]" 1 
        345 1 29 VAL H    1 29 VAL MG2  . . 2.990 2.387 2.231 2.510     .  0 0 "[    .    1    .    2]" 1 
        346 1 29 VAL H    1 30 ARG H    . . 3.290 2.799 2.682 2.970     .  0 0 "[    .    1    .    2]" 1 
        347 1 29 VAL H    1 30 ARG HB3  . . 5.280 5.002 4.804 5.157     .  0 0 "[    .    1    .    2]" 1 
        348 1 29 VAL H    1 31 ALA H    . . 4.490 4.167 4.037 4.435     .  0 0 "[    .    1    .    2]" 1 
        349 1 29 VAL H    1 47 GLY HA2  . . 5.500 5.464 5.362 5.504 0.004  6 0 "[    .    1    .    2]" 1 
        350 1 29 VAL HA   1 29 VAL MG1  . . 3.320 2.482 2.423 2.509     .  0 0 "[    .    1    .    2]" 1 
        351 1 29 VAL HA   1 29 VAL MG2  . . 3.200 2.252 2.198 2.318     .  0 0 "[    .    1    .    2]" 1 
        352 1 29 VAL HA   1 31 ALA H    . . 4.690 4.275 4.075 4.668     .  0 0 "[    .    1    .    2]" 1 
        353 1 29 VAL HA   1 32 TRP H    . . 3.760 3.597 3.511 3.717     .  0 0 "[    .    1    .    2]" 1 
        354 1 29 VAL HA   1 32 TRP HE3  . . 4.870 4.535 4.101 4.870 0.000  4 0 "[    .    1    .    2]" 1 
        355 1 29 VAL HA   1 54 LEU MD2  . . 4.870 3.563 3.342 3.992     .  0 0 "[    .    1    .    2]" 1 
        356 1 29 VAL HB   1 30 ARG H    . . 3.080 2.798 2.559 2.966     .  0 0 "[    .    1    .    2]" 1 
        357 1 29 VAL HB   1 31 ALA H    . . 5.500 5.048 4.938 5.214     .  0 0 "[    .    1    .    2]" 1 
        358 1 29 VAL HB   1 49 LEU H    . . 5.030 4.723 4.526 4.895     .  0 0 "[    .    1    .    2]" 1 
        359 1 29 VAL HB   1 51 GLY H    . . 5.500 5.323 4.803 5.487     .  0 0 "[    .    1    .    2]" 1 
        360 1 29 VAL HB   1 54 LEU MD2  . . 5.020 4.094 3.879 4.329     .  0 0 "[    .    1    .    2]" 1 
        361 1 29 VAL MG1  1 30 ARG H    . . 3.480 3.276 3.001 3.443     .  0 0 "[    .    1    .    2]" 1 
        362 1 29 VAL MG1  1 30 ARG HA   . . 3.700 3.243 3.073 3.380     .  0 0 "[    .    1    .    2]" 1 
        363 1 29 VAL MG1  1 30 ARG HB2  . . 4.370 4.051 3.930 4.245     .  0 0 "[    .    1    .    2]" 1 
        364 1 29 VAL MG1  1 31 ALA H    . . 5.270 4.812 4.683 4.969     .  0 0 "[    .    1    .    2]" 1 
        365 1 29 VAL MG1  1 32 TRP H    . . 5.500 4.776 4.648 4.912     .  0 0 "[    .    1    .    2]" 1 
        366 1 29 VAL MG1  1 32 TRP QB   . . 5.340 3.805 3.645 3.928     .  0 0 "[    .    1    .    2]" 1 
        367 1 29 VAL MG1  1 47 GLY H    . . 4.870 4.346 4.194 4.535     .  0 0 "[    .    1    .    2]" 1 
        368 1 29 VAL MG1  1 47 GLY HA2  . . 3.300 2.404 2.091 2.735     .  0 0 "[    .    1    .    2]" 1 
        369 1 29 VAL MG1  1 49 LEU H    . . 4.250 3.605 3.376 3.926     .  0 0 "[    .    1    .    2]" 1 
        370 1 29 VAL MG1  1 49 LEU HB2  . . 4.050 3.276 3.005 3.590     .  0 0 "[    .    1    .    2]" 1 
        371 1 29 VAL MG1  1 51 GLY H    . . 5.430 5.324 5.090 5.438 0.008  6 0 "[    .    1    .    2]" 1 
        372 1 29 VAL MG1  1 51 GLY HA2  . . 5.060 4.241 3.997 4.431     .  0 0 "[    .    1    .    2]" 1 
        373 1 29 VAL MG1  1 54 LEU HB2  . . 3.310 2.461 2.230 2.815     .  0 0 "[    .    1    .    2]" 1 
        374 1 29 VAL MG1  1 54 LEU HB3  . . 4.040 3.284 3.016 3.611     .  0 0 "[    .    1    .    2]" 1 
        375 1 29 VAL MG1  1 54 LEU MD2  . . 3.140 1.832 1.713 2.039     .  0 0 "[    .    1    .    2]" 1 
        376 1 29 VAL MG1  1 54 LEU HG   . . 4.470 4.138 3.944 4.385     .  0 0 "[    .    1    .    2]" 1 
        377 1 29 VAL MG2  1 30 ARG H    . . 4.190 4.041 3.957 4.101     .  0 0 "[    .    1    .    2]" 1 
        378 1 29 VAL MG2  1 49 LEU H    . . 5.500 4.938 4.738 5.148     .  0 0 "[    .    1    .    2]" 1 
        379 1 29 VAL MG2  1 49 LEU HB2  . . 4.810 4.403 4.167 4.624     .  0 0 "[    .    1    .    2]" 1 
        380 1 29 VAL MG2  1 50 THR HA   . . 3.640 2.725 2.436 3.034     .  0 0 "[    .    1    .    2]" 1 
        381 1 29 VAL MG2  1 51 GLY H    . . 3.710 3.047 2.813 3.189     .  0 0 "[    .    1    .    2]" 1 
        382 1 29 VAL MG2  1 51 GLY HA2  . . 3.670 2.258 1.960 2.361     .  0 0 "[    .    1    .    2]" 1 
        383 1 29 VAL MG2  1 51 GLY HA3  . . 3.860 3.462 3.154 3.598     .  0 0 "[    .    1    .    2]" 1 
        384 1 29 VAL MG2  1 54 LEU H    . . 4.490 4.009 3.812 4.207     .  0 0 "[    .    1    .    2]" 1 
        385 1 29 VAL MG2  1 54 LEU HB3  . . 4.180 3.001 2.788 3.222     .  0 0 "[    .    1    .    2]" 1 
        386 1 29 VAL MG2  1 55 PHE H    . . 5.500 4.787 4.564 5.001     .  0 0 "[    .    1    .    2]" 1 
        387 1 30 ARG H    1 30 ARG HB2  . . 2.970 2.642 2.512 2.775     .  0 0 "[    .    1    .    2]" 1 
        388 1 30 ARG H    1 30 ARG HB3  . . 3.100 2.447 2.351 2.555     .  0 0 "[    .    1    .    2]" 1 
        389 1 30 ARG H    1 30 ARG QD   . . 4.890 4.331 3.972 4.638     .  0 0 "[    .    1    .    2]" 1 
        390 1 30 ARG H    1 30 ARG HG2  . . 4.920 4.437 4.386 4.469     .  0 0 "[    .    1    .    2]" 1 
        391 1 30 ARG H    1 30 ARG QG   . . 4.260 4.020 3.975 4.064     .  0 0 "[    .    1    .    2]" 1 
        392 1 30 ARG H    1 30 ARG HG3  . . 4.920 4.597 4.497 4.671     .  0 0 "[    .    1    .    2]" 1 
        393 1 30 ARG H    1 31 ALA H    . . 3.260 2.516 2.386 2.760     .  0 0 "[    .    1    .    2]" 1 
        394 1 30 ARG H    1 31 ALA MB   . . 5.240 4.147 4.015 4.309     .  0 0 "[    .    1    .    2]" 1 
        395 1 30 ARG H    1 32 TRP H    . . 4.690 4.188 3.984 4.369     .  0 0 "[    .    1    .    2]" 1 
        396 1 30 ARG H    1 47 GLY HA2  . . 3.950 3.410 3.178 3.536     .  0 0 "[    .    1    .    2]" 1 
        397 1 30 ARG HA   1 30 ARG HD2  . . 5.270 4.289 3.612 4.896     .  0 0 "[    .    1    .    2]" 1 
        398 1 30 ARG HA   1 30 ARG QD   . . 4.510 3.831 3.476 4.230     .  0 0 "[    .    1    .    2]" 1 
        399 1 30 ARG HA   1 30 ARG HD3  . . 5.270 4.467 3.679 4.936     .  0 0 "[    .    1    .    2]" 1 
        400 1 30 ARG HA   1 30 ARG HG2  . . 3.810 2.631 2.433 2.844     .  0 0 "[    .    1    .    2]" 1 
        401 1 30 ARG HA   1 30 ARG HG3  . . 3.810 3.276 2.850 3.638     .  0 0 "[    .    1    .    2]" 1 
        402 1 30 ARG HA   1 32 TRP H    . . 4.650 4.534 4.318 4.648     .  0 0 "[    .    1    .    2]" 1 
        403 1 30 ARG HA   1 33 LEU H    . . 4.040 3.750 3.490 3.921     .  0 0 "[    .    1    .    2]" 1 
        404 1 30 ARG HA   1 33 LEU HB2  . . 4.370 3.418 3.188 3.574     .  0 0 "[    .    1    .    2]" 1 
        405 1 30 ARG HA   1 33 LEU HB3  . . 5.220 4.924 4.684 5.125     .  0 0 "[    .    1    .    2]" 1 
        406 1 30 ARG HA   1 33 LEU MD1  . . 3.260 2.082 1.889 2.330     .  0 0 "[    .    1    .    2]" 1 
        407 1 30 ARG HA   1 33 LEU HG   . . 4.230 3.604 3.249 3.890     .  0 0 "[    .    1    .    2]" 1 
        408 1 30 ARG HA   1 34 GLU H    . . 4.460 4.344 4.067 4.462 0.002  5 0 "[    .    1    .    2]" 1 
        409 1 30 ARG HA   1 43 VAL HA   . . 4.870 4.099 3.917 4.327     .  0 0 "[    .    1    .    2]" 1 
        410 1 30 ARG HA   1 43 VAL MG1  . . 4.020 3.153 2.970 3.434     .  0 0 "[    .    1    .    2]" 1 
        411 1 30 ARG HA   1 43 VAL MG2  . . 4.990 4.596 4.367 4.984     .  0 0 "[    .    1    .    2]" 1 
        412 1 30 ARG HB2  1 30 ARG QD   . . 3.620 3.232 2.651 3.516     .  0 0 "[    .    1    .    2]" 1 
        413 1 30 ARG HB2  1 31 ALA H    . . 4.120 4.019 3.803 4.121 0.001 12 0 "[    .    1    .    2]" 1 
        414 1 30 ARG HB2  1 33 LEU MD1  . . 5.490 3.947 3.618 4.167     .  0 0 "[    .    1    .    2]" 1 
        415 1 30 ARG HB2  1 47 GLY H    . . 4.650 4.532 4.304 4.653 0.003  8 0 "[    .    1    .    2]" 1 
        416 1 30 ARG HB2  1 47 GLY HA2  . . 4.440 2.440 2.025 2.682     .  0 0 "[    .    1    .    2]" 1 
        417 1 30 ARG HB2  1 47 GLY HA3  . . 4.150 2.276 2.097 2.435     .  0 0 "[    .    1    .    2]" 1 
        418 1 30 ARG HB2  1 48 ILE H    . . 5.500 4.885 4.679 5.107     .  0 0 "[    .    1    .    2]" 1 
        419 1 30 ARG HB3  1 30 ARG QD   . . 3.530 2.308 2.087 2.670     .  0 0 "[    .    1    .    2]" 1 
        420 1 30 ARG HB3  1 31 ALA H    . . 3.190 2.813 2.443 2.986     .  0 0 "[    .    1    .    2]" 1 
        421 1 30 ARG HB3  1 31 ALA MB   . . 4.400 4.064 3.965 4.165     .  0 0 "[    .    1    .    2]" 1 
        422 1 30 ARG QD   1 31 ALA H    . . 4.340 3.662 2.947 4.340 0.000  7 0 "[    .    1    .    2]" 1 
        423 1 30 ARG QD   1 33 LEU MD1  . . 5.340 4.873 4.490 5.299     .  0 0 "[    .    1    .    2]" 1 
        424 1 30 ARG QD   1 43 VAL MG1  . . 3.790 3.007 2.550 3.308     .  0 0 "[    .    1    .    2]" 1 
        425 1 30 ARG QD   1 43 VAL MG2  . . 5.340 4.959 4.264 5.342 0.002  7 0 "[    .    1    .    2]" 1 
        426 1 30 ARG HD2  1 43 VAL MG1  . . 4.310 3.863 3.123 4.243     .  0 0 "[    .    1    .    2]" 1 
        427 1 30 ARG HD2  1 47 GLY HA3  . . 5.500 4.997 4.524 5.308     .  0 0 "[    .    1    .    2]" 1 
        428 1 30 ARG HD3  1 43 VAL MG1  . . 4.310 3.182 2.703 4.193     .  0 0 "[    .    1    .    2]" 1 
        429 1 30 ARG HD3  1 47 GLY HA3  . . 5.500 4.887 4.161 5.278     .  0 0 "[    .    1    .    2]" 1 
        430 1 30 ARG QG   1 33 LEU MD1  . . 4.450 3.443 3.120 3.713     .  0 0 "[    .    1    .    2]" 1 
        431 1 30 ARG QG   1 34 GLU H    . . 4.570 4.254 3.727 4.568     .  0 0 "[    .    1    .    2]" 1 
        432 1 30 ARG QG   1 34 GLU QG   . . 4.380 3.234 2.436 3.569     .  0 0 "[    .    1    .    2]" 1 
        433 1 30 ARG QG   1 43 VAL MG1  . . 3.190 1.987 1.828 2.343     .  0 0 "[    .    1    .    2]" 1 
        434 1 30 ARG QG   1 43 VAL MG2  . . 4.750 4.055 3.881 4.488     .  0 0 "[    .    1    .    2]" 1 
        435 1 30 ARG QG   1 47 GLY HA2  . . 4.450 3.497 3.114 3.760     .  0 0 "[    .    1    .    2]" 1 
        436 1 30 ARG QG   1 47 GLY HA3  . . 4.370 2.505 2.030 2.784     .  0 0 "[    .    1    .    2]" 1 
        437 1 30 ARG HG2  1 43 VAL MG1  . . 3.830 2.122 1.851 2.455     .  0 0 "[    .    1    .    2]" 1 
        438 1 30 ARG HG3  1 43 VAL MG1  . . 3.830 2.708 2.005 3.512     .  0 0 "[    .    1    .    2]" 1 
        439 1 31 ALA H    1 31 ALA MB   . . 2.640 2.125 2.039 2.258     .  0 0 "[    .    1    .    2]" 1 
        440 1 31 ALA H    1 32 TRP H    . . 3.170 2.585 2.465 2.753     .  0 0 "[    .    1    .    2]" 1 
        441 1 31 ALA H    1 32 TRP QB   . . 4.940 4.307 4.207 4.497     .  0 0 "[    .    1    .    2]" 1 
        442 1 31 ALA H    1 33 LEU H    . . 4.490 4.217 4.042 4.350     .  0 0 "[    .    1    .    2]" 1 
        443 1 31 ALA H    1 33 LEU MD1  . . 5.500 4.827 4.508 5.048     .  0 0 "[    .    1    .    2]" 1 
        444 1 31 ALA H    1 33 LEU HG   . . 5.500 5.353 5.027 5.500 0.000 18 0 "[    .    1    .    2]" 1 
        445 1 31 ALA HA   1 34 GLU H    . . 3.920 3.633 3.361 3.785     .  0 0 "[    .    1    .    2]" 1 
        446 1 31 ALA HA   1 34 GLU HB2  . . 3.700 2.704 2.487 2.896     .  0 0 "[    .    1    .    2]" 1 
        447 1 31 ALA HA   1 34 GLU HB3  . . 4.470 4.250 4.014 4.462     .  0 0 "[    .    1    .    2]" 1 
        448 1 31 ALA HA   1 34 GLU QG   . . 4.890 3.712 3.408 4.214     .  0 0 "[    .    1    .    2]" 1 
        449 1 31 ALA HA   1 35 ALA H    . . 4.410 4.186 3.952 4.405     .  0 0 "[    .    1    .    2]" 1 
        450 1 31 ALA MB   1 32 TRP H    . . 3.220 2.603 2.478 2.715     .  0 0 "[    .    1    .    2]" 1 
        451 1 31 ALA MB   1 32 TRP HA   . . 4.590 3.743 3.646 3.841     .  0 0 "[    .    1    .    2]" 1 
        452 1 31 ALA MB   1 32 TRP HB2  . . 4.940 4.227 4.095 4.280     .  0 0 "[    .    1    .    2]" 1 
        453 1 31 ALA MB   1 32 TRP QB   . . 4.340 3.937 3.840 3.979     .  0 0 "[    .    1    .    2]" 1 
        454 1 31 ALA MB   1 32 TRP HB3  . . 4.940 4.696 4.614 4.765     .  0 0 "[    .    1    .    2]" 1 
        455 1 31 ALA MB   1 33 LEU H    . . 4.940 4.591 4.452 4.725     .  0 0 "[    .    1    .    2]" 1 
        456 1 31 ALA MB   1 35 ALA H    . . 4.800 4.613 4.384 4.769     .  0 0 "[    .    1    .    2]" 1 
        457 1 32 TRP H    1 32 TRP HB2  . . 3.010 2.550 2.492 2.631     .  0 0 "[    .    1    .    2]" 1 
        458 1 32 TRP H    1 32 TRP HB3  . . 3.010 2.512 2.432 2.570     .  0 0 "[    .    1    .    2]" 1 
        459 1 32 TRP H    1 32 TRP HE3  . . 4.800 4.683 4.501 4.787     .  0 0 "[    .    1    .    2]" 1 
        460 1 32 TRP H    1 33 LEU H    . . 3.200 2.813 2.661 2.933     .  0 0 "[    .    1    .    2]" 1 
        461 1 32 TRP H    1 33 LEU MD1  . . 5.500 4.891 4.672 5.116     .  0 0 "[    .    1    .    2]" 1 
        462 1 32 TRP H    1 33 LEU HG   . . 5.300 4.347 4.101 4.508     .  0 0 "[    .    1    .    2]" 1 
        463 1 32 TRP H    1 35 ALA MB   . . 5.070 4.750 4.581 4.924     .  0 0 "[    .    1    .    2]" 1 
        464 1 32 TRP HA   1 32 TRP HD1  . . 3.940 3.060 2.835 3.240     .  0 0 "[    .    1    .    2]" 1 
        465 1 32 TRP HA   1 35 ALA H    . . 4.180 3.734 3.507 3.903     .  0 0 "[    .    1    .    2]" 1 
        466 1 32 TRP HA   1 35 ALA MB   . . 3.470 2.865 2.677 3.071     .  0 0 "[    .    1    .    2]" 1 
        467 1 32 TRP QB   1 32 TRP HE3  . . 3.650 2.483 2.411 2.551     .  0 0 "[    .    1    .    2]" 1 
        468 1 32 TRP QB   1 33 LEU H    . . 3.230 2.503 2.327 2.697     .  0 0 "[    .    1    .    2]" 1 
        469 1 32 TRP QB   1 33 LEU HG   . . 4.750 3.179 3.020 3.283     .  0 0 "[    .    1    .    2]" 1 
        470 1 32 TRP HB2  1 33 LEU H    . . 3.990 3.877 3.759 3.992 0.002 10 0 "[    .    1    .    2]" 1 
        471 1 32 TRP HB3  1 33 LEU H    . . 3.990 2.535 2.350 2.742     .  0 0 "[    .    1    .    2]" 1 
        472 1 32 TRP HD1  1 36 LYS HE2  . . 4.680 4.203 3.850 4.488     .  0 0 "[    .    1    .    2]" 1 
        473 1 32 TRP HE1  1 36 LYS HD3  . . 5.500 5.367 5.158 5.503 0.003  7 0 "[    .    1    .    2]" 1 
        474 1 32 TRP HE1  1 36 LYS HE2  . . 3.810 2.966 2.690 3.200     .  0 0 "[    .    1    .    2]" 1 
        475 1 32 TRP HE1  1 36 LYS HE3  . . 3.870 3.493 2.980 3.857     .  0 0 "[    .    1    .    2]" 1 
        476 1 32 TRP HE1  1 36 LYS HG3  . . 5.260 5.059 4.619 5.260 0.000 10 0 "[    .    1    .    2]" 1 
        477 1 32 TRP HE1  1 80 GLN HE21 . . 5.040 4.386 3.800 4.931     .  0 0 "[    .    1    .    2]" 1 
        478 1 32 TRP HE1  1 80 GLN QE   . . 4.410 3.644 2.451 4.414 0.004 15 0 "[    .    1    .    2]" 1 
        479 1 32 TRP HE1  1 80 GLN HE22 . . 5.040 3.946 2.472 4.978     .  0 0 "[    .    1    .    2]" 1 
        480 1 32 TRP HE1  1 80 GLN QG   . . 4.510 3.924 3.096 4.509     .  0 0 "[    .    1    .    2]" 1 
        481 1 32 TRP HE3  1 33 LEU H    . . 3.640 2.922 2.630 3.293     .  0 0 "[    .    1    .    2]" 1 
        482 1 32 TRP HE3  1 33 LEU HA   . . 3.880 2.985 2.616 3.478     .  0 0 "[    .    1    .    2]" 1 
        483 1 32 TRP HE3  1 33 LEU MD1  . . 4.690 3.791 3.680 3.905     .  0 0 "[    .    1    .    2]" 1 
        484 1 32 TRP HE3  1 33 LEU MD2  . . 3.370 2.181 1.927 2.424     .  0 0 "[    .    1    .    2]" 1 
        485 1 32 TRP HE3  1 33 LEU HG   . . 3.740 2.246 2.023 2.489     .  0 0 "[    .    1    .    2]" 1 
        486 1 32 TRP HE3  1 54 LEU MD2  . . 4.690 3.381 3.111 3.802     .  0 0 "[    .    1    .    2]" 1 
        487 1 32 TRP HH2  1 33 LEU MD2  . . 4.440 4.037 3.863 4.166     .  0 0 "[    .    1    .    2]" 1 
        488 1 32 TRP HH2  1 73 VAL MG1  . . 4.420 3.257 2.707 3.757     .  0 0 "[    .    1    .    2]" 1 
        489 1 32 TRP HH2  1 76 GLN HB2  . . 4.040 3.041 2.594 3.469     .  0 0 "[    .    1    .    2]" 1 
        490 1 32 TRP HH2  1 76 GLN HB3  . . 4.070 3.395 2.710 4.059     .  0 0 "[    .    1    .    2]" 1 
        491 1 32 TRP HH2  1 77 LEU H    . . 4.110 3.339 2.780 3.835     .  0 0 "[    .    1    .    2]" 1 
        492 1 32 TRP HH2  1 77 LEU HA   . . 4.440 2.905 2.332 3.699     .  0 0 "[    .    1    .    2]" 1 
        493 1 32 TRP HH2  1 77 LEU QD   . . 3.800 2.740 2.189 3.312     .  0 0 "[    .    1    .    2]" 1 
        494 1 32 TRP HH2  1 77 LEU HG   . . 4.250 2.337 2.001 2.828     .  0 0 "[    .    1    .    2]" 1 
        495 1 32 TRP HZ2  1 33 LEU MD2  . . 5.500 5.433 5.256 5.504 0.004  8 0 "[    .    1    .    2]" 1 
        496 1 32 TRP HZ2  1 36 LYS HD2  . . 5.240 4.988 4.292 5.231     .  0 0 "[    .    1    .    2]" 1 
        497 1 32 TRP HZ2  1 36 LYS HE2  . . 4.110 3.530 2.453 4.096     .  0 0 "[    .    1    .    2]" 1 
        498 1 32 TRP HZ2  1 36 LYS HE3  . . 3.800 2.759 2.293 3.557     .  0 0 "[    .    1    .    2]" 1 
        499 1 32 TRP HZ2  1 36 LYS HG3  . . 4.700 4.170 3.783 4.677     .  0 0 "[    .    1    .    2]" 1 
        500 1 32 TRP HZ2  1 76 GLN HB2  . . 4.440 4.055 3.752 4.438     .  0 0 "[    .    1    .    2]" 1 
        501 1 32 TRP HZ2  1 76 GLN HB3  . . 4.440 3.195 2.777 3.611     .  0 0 "[    .    1    .    2]" 1 
        502 1 32 TRP HZ2  1 77 LEU HA   . . 4.690 3.297 2.745 3.843     .  0 0 "[    .    1    .    2]" 1 
        503 1 32 TRP HZ2  1 77 LEU QD   . . 4.480 3.663 3.015 4.107     .  0 0 "[    .    1    .    2]" 1 
        504 1 32 TRP HZ2  1 80 GLN H    . . 5.290 4.781 4.404 5.228     .  0 0 "[    .    1    .    2]" 1 
        505 1 32 TRP HZ2  1 80 GLN HB2  . . 4.550 3.380 2.948 3.732     .  0 0 "[    .    1    .    2]" 1 
        506 1 32 TRP HZ2  1 80 GLN HB3  . . 5.020 4.424 3.998 4.994     .  0 0 "[    .    1    .    2]" 1 
        507 1 32 TRP HZ3  1 33 LEU MD2  . . 3.370 2.036 1.907 2.336     .  0 0 "[    .    1    .    2]" 1 
        508 1 32 TRP HZ3  1 54 LEU MD2  . . 4.400 3.470 3.016 3.845     .  0 0 "[    .    1    .    2]" 1 
        509 1 32 TRP HZ3  1 73 VAL MG1  . . 4.160 2.870 2.614 3.286     .  0 0 "[    .    1    .    2]" 1 
        510 1 32 TRP HZ3  1 77 LEU QD   . . 4.080 2.778 2.302 3.452     .  0 0 "[    .    1    .    2]" 1 
        511 1 32 TRP HZ3  1 77 LEU HG   . . 4.940 3.064 2.538 3.692     .  0 0 "[    .    1    .    2]" 1 
        512 1 33 LEU H    1 33 LEU HB2  . . 3.240 2.608 2.548 2.667     .  0 0 "[    .    1    .    2]" 1 
        513 1 33 LEU H    1 33 LEU HB3  . . 3.790 3.585 3.576 3.593     .  0 0 "[    .    1    .    2]" 1 
        514 1 33 LEU H    1 33 LEU MD1  . . 3.600 3.231 3.091 3.362     .  0 0 "[    .    1    .    2]" 1 
        515 1 33 LEU H    1 33 LEU MD2  . . 3.930 3.470 3.318 3.594     .  0 0 "[    .    1    .    2]" 1 
        516 1 33 LEU H    1 33 LEU HG   . . 2.950 2.032 1.929 2.135     .  0 0 "[    .    1    .    2]" 1 
        517 1 33 LEU H    1 34 GLU H    . . 3.320 2.835 2.638 2.963     .  0 0 "[    .    1    .    2]" 1 
        518 1 33 LEU H    1 34 GLU HB2  . . 4.910 4.640 4.481 4.867     .  0 0 "[    .    1    .    2]" 1 
        519 1 33 LEU H    1 35 ALA H    . . 4.580 4.096 3.956 4.256     .  0 0 "[    .    1    .    2]" 1 
        520 1 33 LEU H    1 42 ILE MD   . . 5.500 5.007 4.713 5.398     .  0 0 "[    .    1    .    2]" 1 
        521 1 33 LEU H    1 43 VAL MG1  . . 4.980 4.582 4.350 4.808     .  0 0 "[    .    1    .    2]" 1 
        522 1 33 LEU H    1 43 VAL MG2  . . 4.810 4.486 4.263 4.762     .  0 0 "[    .    1    .    2]" 1 
        523 1 33 LEU HA   1 33 LEU MD1  . . 4.340 3.957 3.941 3.975     .  0 0 "[    .    1    .    2]" 1 
        524 1 33 LEU HA   1 33 LEU MD2  . . 3.170 2.354 2.147 2.638     .  0 0 "[    .    1    .    2]" 1 
        525 1 33 LEU HA   1 33 LEU HG   . . 3.710 2.991 2.908 3.111     .  0 0 "[    .    1    .    2]" 1 
        526 1 33 LEU HA   1 35 ALA H    . . 4.390 4.266 4.105 4.393 0.003 18 0 "[    .    1    .    2]" 1 
        527 1 33 LEU HA   1 36 LYS H    . . 3.700 3.481 3.334 3.627     .  0 0 "[    .    1    .    2]" 1 
        528 1 33 LEU HA   1 36 LYS HB2  . . 4.510 3.391 3.069 3.635     .  0 0 "[    .    1    .    2]" 1 
        529 1 33 LEU HA   1 36 LYS HB3  . . 5.170 4.937 4.649 5.159     .  0 0 "[    .    1    .    2]" 1 
        530 1 33 LEU HA   1 36 LYS HG2  . . 4.520 3.386 3.019 3.812     .  0 0 "[    .    1    .    2]" 1 
        531 1 33 LEU HA   1 38 PHE QD   . . 3.350 2.854 2.415 3.278     .  0 0 "[    .    1    .    2]" 1 
        532 1 33 LEU HA   1 38 PHE QE   . . 4.180 3.475 2.656 4.148     .  0 0 "[    .    1    .    2]" 1 
        533 1 33 LEU HA   1 42 ILE MD   . . 4.230 3.752 3.418 4.111     .  0 0 "[    .    1    .    2]" 1 
        534 1 33 LEU HB2  1 33 LEU MD1  . . 3.300 2.136 1.990 2.272     .  0 0 "[    .    1    .    2]" 1 
        535 1 33 LEU HB2  1 34 GLU H    . . 3.330 2.222 2.081 2.427     .  0 0 "[    .    1    .    2]" 1 
        536 1 33 LEU HB2  1 38 PHE QD   . . 5.250 4.594 4.056 5.034     .  0 0 "[    .    1    .    2]" 1 
        537 1 33 LEU HB2  1 43 VAL HA   . . 4.110 2.959 2.768 3.222     .  0 0 "[    .    1    .    2]" 1 
        538 1 33 LEU HB2  1 43 VAL MG1  . . 3.640 2.784 2.574 3.025     .  0 0 "[    .    1    .    2]" 1 
        539 1 33 LEU HB2  1 43 VAL MG2  . . 3.370 2.263 1.991 2.670     .  0 0 "[    .    1    .    2]" 1 
        540 1 33 LEU HB3  1 33 LEU MD1  . . 3.470 2.588 2.470 2.686     .  0 0 "[    .    1    .    2]" 1 
        541 1 33 LEU HB3  1 33 LEU MD2  . . 3.450 2.192 2.026 2.311     .  0 0 "[    .    1    .    2]" 1 
        542 1 33 LEU HB3  1 34 GLU H    . . 3.680 3.439 3.296 3.613     .  0 0 "[    .    1    .    2]" 1 
        543 1 33 LEU HB3  1 38 PHE H    . . 4.580 4.462 4.251 4.581 0.001 20 0 "[    .    1    .    2]" 1 
        544 1 33 LEU HB3  1 38 PHE QD   . . 4.180 3.039 2.450 3.478     .  0 0 "[    .    1    .    2]" 1 
        545 1 33 LEU HB3  1 42 ILE MD   . . 4.610 2.096 1.852 2.498     .  0 0 "[    .    1    .    2]" 1 
        546 1 33 LEU HB3  1 43 VAL HA   . . 4.140 3.155 2.931 3.341     .  0 0 "[    .    1    .    2]" 1 
        547 1 33 LEU HB3  1 43 VAL MG1  . . 4.590 3.877 3.672 4.122     .  0 0 "[    .    1    .    2]" 1 
        548 1 33 LEU HB3  1 43 VAL MG2  . . 3.360 2.303 1.970 2.792     .  0 0 "[    .    1    .    2]" 1 
        549 1 33 LEU MD1  1 34 GLU H    . . 4.810 3.874 3.651 4.102     .  0 0 "[    .    1    .    2]" 1 
        550 1 33 LEU MD1  1 38 PHE QD   . . 5.500 4.871 4.305 5.245     .  0 0 "[    .    1    .    2]" 1 
        551 1 33 LEU MD1  1 42 ILE MD   . . 3.610 2.483 2.055 3.158     .  0 0 "[    .    1    .    2]" 1 
        552 1 33 LEU MD1  1 43 VAL HA   . . 3.030 1.949 1.828 2.028     .  0 0 "[    .    1    .    2]" 1 
        553 1 33 LEU MD1  1 45 ASN H    . . 5.500 4.815 4.519 5.080     .  0 0 "[    .    1    .    2]" 1 
        554 1 33 LEU MD1  1 46 LEU H    . . 3.590 3.406 3.150 3.594 0.004  8 0 "[    .    1    .    2]" 1 
        555 1 33 LEU MD1  1 46 LEU HB2  . . 3.340 1.881 1.771 2.026     .  0 0 "[    .    1    .    2]" 1 
        556 1 33 LEU MD1  1 46 LEU HB3  . . 3.640 2.735 2.284 3.113     .  0 0 "[    .    1    .    2]" 1 
        557 1 33 LEU MD1  1 46 LEU MD1  . . 3.990 2.979 2.504 3.492     .  0 0 "[    .    1    .    2]" 1 
        558 1 33 LEU MD1  1 46 LEU HG   . . 4.160 3.764 3.388 4.122     .  0 0 "[    .    1    .    2]" 1 
        559 1 33 LEU MD1  1 47 GLY H    . . 3.420 3.216 2.905 3.396     .  0 0 "[    .    1    .    2]" 1 
        560 1 33 LEU MD1  1 47 GLY HA2  . . 4.000 2.760 2.472 3.077     .  0 0 "[    .    1    .    2]" 1 
        561 1 33 LEU MD1  1 47 GLY HA3  . . 3.510 3.303 2.967 3.510 0.000 10 0 "[    .    1    .    2]" 1 
        562 1 33 LEU MD1  1 54 LEU MD2  . . 4.370 3.345 2.980 3.739     .  0 0 "[    .    1    .    2]" 1 
        563 1 33 LEU MD2  1 38 PHE QD   . . 3.400 2.915 2.455 3.331     .  0 0 "[    .    1    .    2]" 1 
        564 1 33 LEU MD2  1 38 PHE QE   . . 4.070 3.413 2.613 4.047     .  0 0 "[    .    1    .    2]" 1 
        565 1 33 LEU MD2  1 46 LEU HB2  . . 4.250 2.749 2.371 3.139     .  0 0 "[    .    1    .    2]" 1 
        566 1 33 LEU MD2  1 54 LEU MD2  . . 3.090 2.710 2.488 2.939     .  0 0 "[    .    1    .    2]" 1 
        567 1 33 LEU MD2  1 73 VAL HA   . . 5.340 4.902 4.444 5.273     .  0 0 "[    .    1    .    2]" 1 
        568 1 33 LEU MD2  1 73 VAL MG2  . . 4.170 3.511 3.217 3.858     .  0 0 "[    .    1    .    2]" 1 
        569 1 33 LEU MD2  1 77 LEU QD   . . 4.550 3.377 3.072 3.703     .  0 0 "[    .    1    .    2]" 1 
        570 1 33 LEU HG   1 34 GLU H    . . 4.200 4.120 3.969 4.192     .  0 0 "[    .    1    .    2]" 1 
        571 1 33 LEU HG   1 54 LEU MD2  . . 5.210 3.699 3.406 3.971     .  0 0 "[    .    1    .    2]" 1 
        572 1 34 GLU H    1 34 GLU HB2  . . 3.050 2.292 2.211 2.472     .  0 0 "[    .    1    .    2]" 1 
        573 1 34 GLU H    1 34 GLU HB3  . . 3.610 3.547 3.509 3.594     .  0 0 "[    .    1    .    2]" 1 
        574 1 34 GLU H    1 34 GLU HG2  . . 4.310 3.168 2.703 4.147     .  0 0 "[    .    1    .    2]" 1 
        575 1 34 GLU H    1 34 GLU QG   . . 3.490 2.646 2.224 2.856     .  0 0 "[    .    1    .    2]" 1 
        576 1 34 GLU H    1 34 GLU HG3  . . 4.310 3.149 2.248 3.952     .  0 0 "[    .    1    .    2]" 1 
        577 1 34 GLU H    1 35 ALA MB   . . 4.550 4.478 4.372 4.556 0.006  6 0 "[    .    1    .    2]" 1 
        578 1 34 GLU H    1 36 LYS H    . . 4.380 4.323 4.185 4.390 0.010 20 0 "[    .    1    .    2]" 1 
        579 1 34 GLU H    1 43 VAL HA   . . 4.980 4.749 4.506 4.969     .  0 0 "[    .    1    .    2]" 1 
        580 1 34 GLU H    1 43 VAL MG1  . . 4.200 3.088 2.927 3.257     .  0 0 "[    .    1    .    2]" 1 
        581 1 34 GLU H    1 43 VAL MG2  . . 3.540 2.888 2.705 3.109     .  0 0 "[    .    1    .    2]" 1 
        582 1 34 GLU HA   1 34 GLU HG2  . . 4.040 2.392 2.158 2.825     .  0 0 "[    .    1    .    2]" 1 
        583 1 34 GLU HA   1 34 GLU QG   . . 3.330 2.317 2.122 2.729     .  0 0 "[    .    1    .    2]" 1 
        584 1 34 GLU HA   1 34 GLU HG3  . . 4.040 3.313 2.388 3.648     .  0 0 "[    .    1    .    2]" 1 
        585 1 34 GLU HA   1 36 LYS H    . . 4.940 4.163 4.079 4.270     .  0 0 "[    .    1    .    2]" 1 
        586 1 34 GLU HA   1 37 ALA H    . . 3.800 3.158 3.059 3.302     .  0 0 "[    .    1    .    2]" 1 
        587 1 34 GLU HA   1 38 PHE H    . . 4.110 3.957 3.763 4.113 0.003  7 0 "[    .    1    .    2]" 1 
        588 1 34 GLU HA   1 43 VAL MG1  . . 4.160 3.659 3.393 3.866     .  0 0 "[    .    1    .    2]" 1 
        589 1 34 GLU HA   1 43 VAL MG2  . . 3.410 2.498 2.217 2.692     .  0 0 "[    .    1    .    2]" 1 
        590 1 34 GLU HB2  1 35 ALA H    . . 3.360 2.803 2.582 2.934     .  0 0 "[    .    1    .    2]" 1 
        591 1 34 GLU HB2  1 35 ALA MB   . . 4.550 4.266 4.071 4.368     .  0 0 "[    .    1    .    2]" 1 
        592 1 34 GLU HB2  1 36 LYS H    . . 5.290 5.158 5.001 5.245     .  0 0 "[    .    1    .    2]" 1 
        593 1 34 GLU HB2  1 43 VAL MG1  . . 4.750 3.737 3.483 3.909     .  0 0 "[    .    1    .    2]" 1 
        594 1 34 GLU HB2  1 43 VAL MG2  . . 4.640 4.030 3.804 4.247     .  0 0 "[    .    1    .    2]" 1 
        595 1 34 GLU HB3  1 35 ALA H    . . 3.530 3.367 3.200 3.531 0.001  8 0 "[    .    1    .    2]" 1 
        596 1 34 GLU HB3  1 36 LYS H    . . 5.350 5.295 5.194 5.354 0.004  7 0 "[    .    1    .    2]" 1 
        597 1 34 GLU HB3  1 37 ALA H    . . 4.980 4.827 4.764 4.904     .  0 0 "[    .    1    .    2]" 1 
        598 1 34 GLU HB3  1 43 VAL MG1  . . 4.890 4.341 4.111 4.589     .  0 0 "[    .    1    .    2]" 1 
        599 1 34 GLU HB3  1 43 VAL MG2  . . 4.400 4.277 3.978 4.406 0.006  6 0 "[    .    1    .    2]" 1 
        600 1 34 GLU QG   1 35 ALA H    . . 4.490 4.328 4.161 4.399     .  0 0 "[    .    1    .    2]" 1 
        601 1 34 GLU QG   1 43 VAL MG1  . . 2.970 1.853 1.720 2.011     .  0 0 "[    .    1    .    2]" 1 
        602 1 34 GLU HG2  1 35 ALA H    . . 5.120 4.879 4.736 5.126 0.006 18 0 "[    .    1    .    2]" 1 
        603 1 34 GLU HG2  1 43 VAL MG1  . . 3.600 2.150 1.848 2.960     .  0 0 "[    .    1    .    2]" 1 
        604 1 34 GLU HG2  1 43 VAL MG2  . . 4.040 2.361 1.975 3.270     .  0 0 "[    .    1    .    2]" 1 
        605 1 34 GLU HG3  1 35 ALA H    . . 5.120 4.872 4.439 5.119     .  0 0 "[    .    1    .    2]" 1 
        606 1 34 GLU HG3  1 43 VAL MG1  . . 3.600 2.335 1.807 3.399     .  0 0 "[    .    1    .    2]" 1 
        607 1 34 GLU HG3  1 43 VAL MG2  . . 4.040 3.243 2.239 4.008     .  0 0 "[    .    1    .    2]" 1 
        608 1 35 ALA H    1 35 ALA MB   . . 2.710 2.197 2.161 2.218     .  0 0 "[    .    1    .    2]" 1 
        609 1 35 ALA H    1 36 LYS H    . . 3.160 2.756 2.607 2.844     .  0 0 "[    .    1    .    2]" 1 
        610 1 35 ALA H    1 36 LYS HB2  . . 5.350 5.118 4.952 5.213     .  0 0 "[    .    1    .    2]" 1 
        611 1 35 ALA H    1 36 LYS HG2  . . 4.770 4.268 4.049 4.485     .  0 0 "[    .    1    .    2]" 1 
        612 1 35 ALA H    1 37 ALA H    . . 4.430 3.947 3.889 4.038     .  0 0 "[    .    1    .    2]" 1 
        613 1 35 ALA H    1 43 VAL MG1  . . 5.500 5.430 5.220 5.509 0.009 20 0 "[    .    1    .    2]" 1 
        614 1 35 ALA H    1 43 VAL MG2  . . 5.160 4.900 4.730 5.057     .  0 0 "[    .    1    .    2]" 1 
        615 1 35 ALA HA   1 37 ALA H    . . 4.470 4.092 3.851 4.228     .  0 0 "[    .    1    .    2]" 1 
        616 1 35 ALA MB   1 36 LYS H    . . 3.240 2.604 2.520 2.753     .  0 0 "[    .    1    .    2]" 1 
        617 1 35 ALA MB   1 36 LYS HA   . . 4.550 3.849 3.790 3.896     .  0 0 "[    .    1    .    2]" 1 
        618 1 35 ALA MB   1 36 LYS HG2  . . 4.510 2.941 2.801 3.067     .  0 0 "[    .    1    .    2]" 1 
        619 1 35 ALA MB   1 37 ALA H    . . 4.340 4.323 4.270 4.349 0.009 20 0 "[    .    1    .    2]" 1 
        620 1 36 LYS H    1 36 LYS HB2  . . 3.020 2.573 2.520 2.676     .  0 0 "[    .    1    .    2]" 1 
        621 1 36 LYS H    1 36 LYS HB3  . . 3.910 3.615 3.600 3.631     .  0 0 "[    .    1    .    2]" 1 
        622 1 36 LYS H    1 36 LYS HD2  . . 4.800 4.549 4.407 4.725     .  0 0 "[    .    1    .    2]" 1 
        623 1 36 LYS H    1 36 LYS HD3  . . 4.250 3.679 3.333 4.002     .  0 0 "[    .    1    .    2]" 1 
        624 1 36 LYS H    1 36 LYS HE2  . . 4.830 4.646 4.192 4.829     .  0 0 "[    .    1    .    2]" 1 
        625 1 36 LYS H    1 36 LYS HE3  . . 5.430 5.277 5.037 5.430 0.000  5 0 "[    .    1    .    2]" 1 
        626 1 36 LYS H    1 36 LYS HG2  . . 3.220 2.131 1.929 2.260     .  0 0 "[    .    1    .    2]" 1 
        627 1 36 LYS H    1 36 LYS HG3  . . 3.680 3.504 3.307 3.681 0.001 16 0 "[    .    1    .    2]" 1 
        628 1 36 LYS H    1 37 ALA H    . . 3.100 2.420 2.360 2.519     .  0 0 "[    .    1    .    2]" 1 
        629 1 36 LYS H    1 37 ALA HA   . . 4.870 4.683 4.614 4.784     .  0 0 "[    .    1    .    2]" 1 
        630 1 36 LYS H    1 37 ALA MB   . . 4.630 4.576 4.542 4.605     .  0 0 "[    .    1    .    2]" 1 
        631 1 36 LYS H    1 38 PHE H    . . 4.440 4.261 3.974 4.396     .  0 0 "[    .    1    .    2]" 1 
        632 1 36 LYS H    1 38 PHE QD   . . 4.500 4.320 4.178 4.501 0.001 15 0 "[    .    1    .    2]" 1 
        633 1 36 LYS HA   1 36 LYS HD2  . . 3.850 3.080 2.839 3.396     .  0 0 "[    .    1    .    2]" 1 
        634 1 36 LYS HA   1 36 LYS HD3  . . 3.440 2.384 2.061 2.661     .  0 0 "[    .    1    .    2]" 1 
        635 1 36 LYS HA   1 36 LYS HE2  . . 4.940 4.633 4.292 4.896     .  0 0 "[    .    1    .    2]" 1 
        636 1 36 LYS HA   1 36 LYS HG2  . . 4.020 3.048 2.890 3.209     .  0 0 "[    .    1    .    2]" 1 
        637 1 36 LYS HA   1 37 ALA MB   . . 4.510 3.847 3.792 3.897     .  0 0 "[    .    1    .    2]" 1 
        638 1 36 LYS HB2  1 36 LYS HD2  . . 4.200 3.588 3.466 3.729     .  0 0 "[    .    1    .    2]" 1 
        639 1 36 LYS HB2  1 37 ALA H    . . 4.290 3.058 2.900 3.305     .  0 0 "[    .    1    .    2]" 1 
        640 1 36 LYS HB2  1 38 PHE H    . . 4.310 3.143 2.993 3.310     .  0 0 "[    .    1    .    2]" 1 
        641 1 36 LYS HB2  1 38 PHE QD   . . 4.000 2.478 2.034 2.770     .  0 0 "[    .    1    .    2]" 1 
        642 1 36 LYS HB2  1 38 PHE QE   . . 4.040 2.785 2.645 2.995     .  0 0 "[    .    1    .    2]" 1 
        643 1 36 LYS HB3  1 36 LYS HD2  . . 4.070 2.335 2.165 2.554     .  0 0 "[    .    1    .    2]" 1 
        644 1 36 LYS HB3  1 37 ALA H    . . 4.210 4.081 3.965 4.211 0.001 19 0 "[    .    1    .    2]" 1 
        645 1 36 LYS HB3  1 38 PHE H    . . 4.540 4.298 4.065 4.539     .  0 0 "[    .    1    .    2]" 1 
        646 1 36 LYS HB3  1 38 PHE QD   . . 4.340 3.704 3.227 3.985     .  0 0 "[    .    1    .    2]" 1 
        647 1 36 LYS HB3  1 38 PHE QE   . . 4.040 3.154 2.718 3.621     .  0 0 "[    .    1    .    2]" 1 
        648 1 36 LYS HD2  1 38 PHE QE   . . 4.730 3.876 3.226 4.273     .  0 0 "[    .    1    .    2]" 1 
        649 1 36 LYS HD2  1 76 GLN HG3  . . 4.880 3.407 2.671 4.155     .  0 0 "[    .    1    .    2]" 1 
        650 1 36 LYS HE2  1 36 LYS HG2  . . 3.830 2.680 2.358 2.925     .  0 0 "[    .    1    .    2]" 1 
        651 1 36 LYS HE2  1 36 LYS HG3  . . 4.090 2.932 2.432 3.234     .  0 0 "[    .    1    .    2]" 1 
        652 1 36 LYS HE3  1 36 LYS HG2  . . 4.090 3.206 2.915 3.727     .  0 0 "[    .    1    .    2]" 1 
        653 1 36 LYS HE3  1 36 LYS HG3  . . 3.800 2.498 2.200 3.593     .  0 0 "[    .    1    .    2]" 1 
        654 1 36 LYS HG2  1 37 ALA H    . . 4.770 4.244 4.051 4.372     .  0 0 "[    .    1    .    2]" 1 
        655 1 36 LYS HG2  1 38 PHE QE   . . 4.940 3.600 3.143 3.965     .  0 0 "[    .    1    .    2]" 1 
        656 1 36 LYS HG3  1 38 PHE QE   . . 4.470 2.098 1.997 2.308     .  0 0 "[    .    1    .    2]" 1 
        657 1 37 ALA H    1 37 ALA HA   . . 2.620 2.279 2.275 2.287     .  0 0 "[    .    1    .    2]" 1 
        658 1 37 ALA H    1 37 ALA MB   . . 3.260 2.895 2.827 2.944     .  0 0 "[    .    1    .    2]" 1 
        659 1 37 ALA H    1 38 PHE H    . . 3.100 2.659 2.522 2.799     .  0 0 "[    .    1    .    2]" 1 
        660 1 37 ALA H    1 38 PHE HB2  . . 4.870 4.700 4.538 4.806     .  0 0 "[    .    1    .    2]" 1 
        661 1 37 ALA H    1 43 VAL MG2  . . 4.620 4.473 4.296 4.623 0.003 11 0 "[    .    1    .    2]" 1 
        662 1 37 ALA HA   1 38 PHE H    . . 3.120 2.745 2.672 2.836     .  0 0 "[    .    1    .    2]" 1 
        663 1 37 ALA HA   1 39 SER H    . . 4.580 4.412 4.227 4.584 0.004 20 0 "[    .    1    .    2]" 1 
        664 1 37 ALA MB   1 38 PHE H    . . 3.870 3.698 3.669 3.713     .  0 0 "[    .    1    .    2]" 1 
        665 1 38 PHE H    1 38 PHE HB2  . . 2.960 2.263 2.198 2.386     .  0 0 "[    .    1    .    2]" 1 
        666 1 38 PHE H    1 38 PHE HB3  . . 3.610 3.538 3.503 3.577     .  0 0 "[    .    1    .    2]" 1 
        667 1 38 PHE H    1 38 PHE QD   . . 3.290 3.006 2.903 3.145     .  0 0 "[    .    1    .    2]" 1 
        668 1 38 PHE H    1 39 SER H    . . 4.380 2.907 2.792 3.099     .  0 0 "[    .    1    .    2]" 1 
        669 1 38 PHE H    1 42 ILE MD   . . 4.650 3.579 3.219 3.828     .  0 0 "[    .    1    .    2]" 1 
        670 1 38 PHE H    1 43 VAL MG2  . . 3.760 3.657 3.466 3.755     .  0 0 "[    .    1    .    2]" 1 
        671 1 38 PHE HA   1 38 PHE QD   . . 3.540 2.438 2.279 2.630     .  0 0 "[    .    1    .    2]" 1 
        672 1 38 PHE HB2  1 39 SER H    . . 3.820 2.274 2.121 2.420     .  0 0 "[    .    1    .    2]" 1 
        673 1 38 PHE HB2  1 42 ILE MD   . . 3.780 1.989 1.819 2.210     .  0 0 "[    .    1    .    2]" 1 
        674 1 38 PHE HB2  1 42 ILE HG12 . . 4.680 2.511 2.061 2.940     .  0 0 "[    .    1    .    2]" 1 
        675 1 38 PHE HB2  1 43 VAL MG2  . . 3.720 3.251 3.045 3.448     .  0 0 "[    .    1    .    2]" 1 
        676 1 38 PHE HB3  1 39 SER H    . . 3.440 2.792 2.578 2.905     .  0 0 "[    .    1    .    2]" 1 
        677 1 38 PHE HB3  1 42 ILE H    . . 5.450 5.125 4.966 5.262     .  0 0 "[    .    1    .    2]" 1 
        678 1 38 PHE HB3  1 42 ILE HB   . . 4.280 4.293 4.273 4.332 0.052 16 0 "[    .    1    .    2]" 1 
        679 1 38 PHE HB3  1 42 ILE MD   . . 3.590 2.739 2.310 3.087     .  0 0 "[    .    1    .    2]" 1 
        680 1 38 PHE HB3  1 42 ILE HG12 . . 4.490 1.995 1.974 2.016     .  0 0 "[    .    1    .    2]" 1 
        681 1 38 PHE HB3  1 42 ILE HG13 . . 4.870 3.498 3.348 3.607     .  0 0 "[    .    1    .    2]" 1 
        682 1 38 PHE HB3  1 42 ILE MG   . . 3.940 3.265 2.963 3.535     .  0 0 "[    .    1    .    2]" 1 
        683 1 38 PHE HB3  1 43 VAL H    . . 5.500 5.393 5.214 5.497     .  0 0 "[    .    1    .    2]" 1 
        684 1 38 PHE HB3  1 43 VAL MG2  . . 4.520 4.341 4.081 4.526 0.006 10 0 "[    .    1    .    2]" 1 
        685 1 38 PHE QD   1 39 SER H    . . 4.510 4.183 4.048 4.291     .  0 0 "[    .    1    .    2]" 1 
        686 1 38 PHE QD   1 42 ILE MD   . . 3.760 2.616 2.193 2.986     .  0 0 "[    .    1    .    2]" 1 
        687 1 38 PHE QD   1 43 VAL MG2  . . 4.910 4.044 3.680 4.304     .  0 0 "[    .    1    .    2]" 1 
        688 1 38 PHE QD   1 69 GLU HG2  . . 4.510 3.238 2.568 4.195     .  0 0 "[    .    1    .    2]" 1 
        689 1 38 PHE QD   1 69 GLU QG   . . 3.730 2.486 1.957 3.732 0.002 12 0 "[    .    1    .    2]" 1 
        690 1 38 PHE QD   1 69 GLU HG3  . . 4.510 2.625 2.022 4.415     .  0 0 "[    .    1    .    2]" 1 
        691 1 38 PHE QD   1 72 ARG QB   . . 4.170 3.118 2.557 3.624     .  0 0 "[    .    1    .    2]" 1 
        692 1 38 PHE QD   1 73 VAL MG2  . . 4.050 2.677 2.309 3.354     .  0 0 "[    .    1    .    2]" 1 
        693 1 38 PHE QE   1 72 ARG H    . . 5.170 4.805 4.416 5.168     .  0 0 "[    .    1    .    2]" 1 
        694 1 38 PHE QE   1 72 ARG HB2  . . 4.370 3.845 2.493 4.373 0.003  9 0 "[    .    1    .    2]" 1 
        695 1 38 PHE QE   1 72 ARG QB   . . 3.630 2.375 1.921 2.963     .  0 0 "[    .    1    .    2]" 1 
        696 1 38 PHE QE   1 72 ARG HB3  . . 4.370 2.401 1.998 3.024     .  0 0 "[    .    1    .    2]" 1 
        697 1 38 PHE QE   1 72 ARG HD2  . . 4.810 3.789 2.446 4.804     .  0 0 "[    .    1    .    2]" 1 
        698 1 38 PHE QE   1 72 ARG HD3  . . 4.810 3.914 2.171 4.801     .  0 0 "[    .    1    .    2]" 1 
        699 1 38 PHE QE   1 72 ARG QG   . . 4.200 2.238 1.850 3.290     .  0 0 "[    .    1    .    2]" 1 
        700 1 38 PHE QE   1 73 VAL H    . . 4.080 3.431 3.118 3.973     .  0 0 "[    .    1    .    2]" 1 
        701 1 38 PHE QE   1 73 VAL HA   . . 3.970 2.813 2.347 3.497     .  0 0 "[    .    1    .    2]" 1 
        702 1 38 PHE QE   1 73 VAL MG1  . . 4.440 3.357 3.110 4.127     .  0 0 "[    .    1    .    2]" 1 
        703 1 38 PHE QE   1 73 VAL MG2  . . 3.790 2.920 2.550 3.416     .  0 0 "[    .    1    .    2]" 1 
        704 1 38 PHE QE   1 76 GLN H    . . 5.500 4.705 4.423 5.142     .  0 0 "[    .    1    .    2]" 1 
        705 1 38 PHE QE   1 76 GLN HB2  . . 4.660 3.488 3.137 3.907     .  0 0 "[    .    1    .    2]" 1 
        706 1 38 PHE QE   1 76 GLN HG2  . . 5.350 3.373 2.521 3.965     .  0 0 "[    .    1    .    2]" 1 
        707 1 38 PHE QE   1 76 GLN HG3  . . 4.250 3.283 2.765 3.868     .  0 0 "[    .    1    .    2]" 1 
        708 1 38 PHE HZ   1 72 ARG QG   . . 4.680 3.746 2.961 4.679     .  0 0 "[    .    1    .    2]" 1 
        709 1 38 PHE HZ   1 73 VAL H    . . 4.910 4.600 3.903 4.908     .  0 0 "[    .    1    .    2]" 1 
        710 1 38 PHE HZ   1 73 VAL HA   . . 3.360 2.452 2.195 3.099     .  0 0 "[    .    1    .    2]" 1 
        711 1 38 PHE HZ   1 73 VAL MG1  . . 4.690 3.813 3.365 4.661     .  0 0 "[    .    1    .    2]" 1 
        712 1 38 PHE HZ   1 73 VAL MG2  . . 4.230 3.649 3.238 3.972     .  0 0 "[    .    1    .    2]" 1 
        713 1 38 PHE HZ   1 76 GLN H    . . 4.250 4.004 3.699 4.252 0.002 15 0 "[    .    1    .    2]" 1 
        714 1 38 PHE HZ   1 76 GLN HB2  . . 3.960 2.375 2.000 3.141     .  0 0 "[    .    1    .    2]" 1 
        715 1 38 PHE HZ   1 76 GLN HB3  . . 4.550 3.283 2.744 4.020     .  0 0 "[    .    1    .    2]" 1 
        716 1 38 PHE HZ   1 76 GLN HG2  . . 4.180 2.622 1.999 3.426     .  0 0 "[    .    1    .    2]" 1 
        717 1 38 PHE HZ   1 76 GLN HG3  . . 3.790 2.167 1.998 2.869     .  0 0 "[    .    1    .    2]" 1 
        718 1 39 SER H    1 39 SER QB   . . 3.700 3.116 2.879 3.436     .  0 0 "[    .    1    .    2]" 1 
        719 1 39 SER H    1 42 ILE H    . . 5.040 4.348 4.074 4.487     .  0 0 "[    .    1    .    2]" 1 
        720 1 39 SER H    1 42 ILE HB   . . 5.280 5.153 4.988 5.278     .  0 0 "[    .    1    .    2]" 1 
        721 1 39 SER H    1 42 ILE MD   . . 4.620 2.823 2.140 3.281     .  0 0 "[    .    1    .    2]" 1 
        722 1 39 SER H    1 42 ILE HG12 . . 4.310 2.717 2.467 2.899     .  0 0 "[    .    1    .    2]" 1 
        723 1 39 SER H    1 42 ILE MG   . . 4.340 4.025 3.628 4.349 0.009 20 0 "[    .    1    .    2]" 1 
        724 1 39 SER HA   1 40 PRO HD2  . . 3.360 2.413 2.327 2.531     .  0 0 "[    .    1    .    2]" 1 
        725 1 39 SER HA   1 40 PRO HD3  . . 3.360 2.304 2.273 2.358     .  0 0 "[    .    1    .    2]" 1 
        726 1 39 SER HA   1 40 PRO HG2  . . 4.640 4.523 4.453 4.620     .  0 0 "[    .    1    .    2]" 1 
        727 1 39 SER HA   1 40 PRO HG3  . . 4.810 4.479 4.428 4.555     .  0 0 "[    .    1    .    2]" 1 
        728 1 39 SER HA   1 42 ILE H    . . 4.980 4.827 4.626 5.003 0.023  7 0 "[    .    1    .    2]" 1 
        729 1 39 SER QB   1 40 PRO QD   . . 3.510 2.229 1.929 2.949     .  0 0 "[    .    1    .    2]" 1 
        730 1 39 SER QB   1 40 PRO HG2  . . 4.410 3.865 3.557 4.543 0.133 13 0 "[    .    1    .    2]" 1 
        731 1 39 SER QB   1 41 ARG H    . . 4.230 2.319 2.172 3.413     .  0 0 "[    .    1    .    2]" 1 
        732 1 39 SER QB   1 42 ILE H    . . 3.990 2.663 2.087 3.144     .  0 0 "[    .    1    .    2]" 1 
        733 1 39 SER QB   1 42 ILE MG   . . 4.260 2.442 1.879 3.492     .  0 0 "[    .    1    .    2]" 1 
        734 1 39 SER QB   1 43 VAL H    . . 4.530 4.168 3.705 4.565 0.035 16 0 "[    .    1    .    2]" 1 
        735 1 39 SER HB2  1 42 ILE MG   . . 4.940 2.658 1.963 3.728     .  0 0 "[    .    1    .    2]" 1 
        736 1 39 SER HB3  1 42 ILE MG   . . 4.940 3.220 1.976 4.242     .  0 0 "[    .    1    .    2]" 1 
        737 1 40 PRO HA   1 43 VAL H    . . 4.040 3.890 3.724 4.034     .  0 0 "[    .    1    .    2]" 1 
        738 1 40 PRO HA   1 43 VAL HB   . . 3.600 2.959 2.670 3.214     .  0 0 "[    .    1    .    2]" 1 
        739 1 40 PRO HA   1 43 VAL MG1  . . 4.370 4.113 3.870 4.356     .  0 0 "[    .    1    .    2]" 1 
        740 1 40 PRO HA   1 43 VAL MG2  . . 3.610 3.404 3.006 3.622 0.012 20 0 "[    .    1    .    2]" 1 
        741 1 40 PRO HA   1 44 GLU H    . . 4.640 4.354 4.002 4.643 0.003 11 0 "[    .    1    .    2]" 1 
        742 1 40 PRO QD   1 41 ARG H    . . 4.300 2.739 2.651 2.855     .  0 0 "[    .    1    .    2]" 1 
        743 1 40 PRO QD   1 41 ARG HB2  . . 5.120 4.068 3.986 4.219     .  0 0 "[    .    1    .    2]" 1 
        744 1 40 PRO HG2  1 41 ARG HB2  . . 4.080 3.619 3.448 4.078     .  0 0 "[    .    1    .    2]" 1 
        745 1 40 PRO HG3  1 41 ARG H    . . 5.110 4.306 4.129 4.499     .  0 0 "[    .    1    .    2]" 1 
        746 1 41 ARG H    1 41 ARG HB2  . . 3.380 2.439 2.249 2.615     .  0 0 "[    .    1    .    2]" 1 
        747 1 41 ARG H    1 41 ARG HB3  . . 3.670 2.892 2.650 3.510     .  0 0 "[    .    1    .    2]" 1 
        748 1 41 ARG H    1 41 ARG QG   . . 4.580 3.960 3.293 4.113     .  0 0 "[    .    1    .    2]" 1 
        749 1 41 ARG H    1 42 ILE H    . . 3.660 2.353 2.205 2.559     .  0 0 "[    .    1    .    2]" 1 
        750 1 41 ARG HA   1 41 ARG HD2  . . 5.500 3.895 2.000 4.662     .  0 0 "[    .    1    .    2]" 1 
        751 1 41 ARG HA   1 41 ARG QD   . . 4.770 3.371 1.966 4.100     .  0 0 "[    .    1    .    2]" 1 
        752 1 41 ARG HA   1 41 ARG HD3  . . 5.500 3.890 2.005 4.707     .  0 0 "[    .    1    .    2]" 1 
        753 1 41 ARG HA   1 41 ARG HG2  . . 4.180 3.209 2.710 3.710     .  0 0 "[    .    1    .    2]" 1 
        754 1 41 ARG HA   1 41 ARG QG   . . 3.660 2.336 2.141 2.807     .  0 0 "[    .    1    .    2]" 1 
        755 1 41 ARG HA   1 41 ARG HG3  . . 4.180 2.411 2.177 2.907     .  0 0 "[    .    1    .    2]" 1 
        756 1 41 ARG HA   1 44 GLU H    . . 3.880 3.583 3.338 3.705     .  0 0 "[    .    1    .    2]" 1 
        757 1 41 ARG HA   1 44 GLU QG   . . 4.640 4.154 3.732 4.622     .  0 0 "[    .    1    .    2]" 1 
        758 1 41 ARG HA   1 45 ASN H    . . 4.340 4.139 3.969 4.257     .  0 0 "[    .    1    .    2]" 1 
        759 1 41 ARG HA   1 45 ASN HD21 . . 4.650 3.411 2.929 3.940     .  0 0 "[    .    1    .    2]" 1 
        760 1 41 ARG HA   1 45 ASN HD22 . . 4.920 3.993 3.324 4.485     .  0 0 "[    .    1    .    2]" 1 
        761 1 41 ARG HB2  1 42 ILE H    . . 3.880 3.421 2.635 3.669     .  0 0 "[    .    1    .    2]" 1 
        762 1 41 ARG HB3  1 42 ILE H    . . 3.550 2.563 2.333 3.257     .  0 0 "[    .    1    .    2]" 1 
        763 1 41 ARG HB3  1 42 ILE MG   . . 4.440 3.067 2.736 3.656     .  0 0 "[    .    1    .    2]" 1 
        764 1 41 ARG HB3  1 45 ASN H    . . 5.500 5.386 4.966 5.516 0.016 20 0 "[    .    1    .    2]" 1 
        765 1 41 ARG HB3  1 45 ASN HD21 . . 4.890 3.487 2.508 4.686     .  0 0 "[    .    1    .    2]" 1 
        766 1 41 ARG QD   1 42 ILE MG   . . 5.340 4.834 3.891 5.394 0.054 20 0 "[    .    1    .    2]" 1 
        767 1 41 ARG QD   1 45 ASN HD21 . . 5.340 4.158 2.555 5.341 0.001  5 0 "[    .    1    .    2]" 1 
        768 1 41 ARG QG   1 42 ILE H    . . 4.870 4.008 3.700 4.448     .  0 0 "[    .    1    .    2]" 1 
        769 1 41 ARG QG   1 42 ILE MG   . . 5.080 4.225 3.812 4.938     .  0 0 "[    .    1    .    2]" 1 
        770 1 41 ARG QG   1 45 ASN HD21 . . 4.100 2.373 1.884 3.843     .  0 0 "[    .    1    .    2]" 1 
        771 1 41 ARG QG   1 45 ASN HD22 . . 4.100 2.382 1.813 3.547     .  0 0 "[    .    1    .    2]" 1 
        772 1 41 ARG HG2  1 45 ASN HD21 . . 4.970 2.870 1.962 4.471     .  0 0 "[    .    1    .    2]" 1 
        773 1 41 ARG HG2  1 45 ASN HD22 . . 4.770 2.828 1.968 4.164     .  0 0 "[    .    1    .    2]" 1 
        774 1 41 ARG HG3  1 45 ASN HD21 . . 4.970 3.155 1.898 4.968     .  0 0 "[    .    1    .    2]" 1 
        775 1 41 ARG HG3  1 45 ASN HD22 . . 4.770 2.979 2.069 4.770     . 18 0 "[    .    1    .    2]" 1 
        776 1 42 ILE H    1 42 ILE HB   . . 3.680 3.610 3.594 3.625     .  0 0 "[    .    1    .    2]" 1 
        777 1 42 ILE H    1 42 ILE MD   . . 3.910 3.814 3.536 3.911 0.001 13 0 "[    .    1    .    2]" 1 
        778 1 42 ILE H    1 42 ILE HG12 . . 3.510 3.349 3.166 3.479     .  0 0 "[    .    1    .    2]" 1 
        779 1 42 ILE H    1 42 ILE HG13 . . 3.920 2.334 1.936 2.502     .  0 0 "[    .    1    .    2]" 1 
        780 1 42 ILE H    1 42 ILE MG   . . 3.480 2.058 1.871 2.392     .  0 0 "[    .    1    .    2]" 1 
        781 1 42 ILE H    1 43 VAL H    . . 2.990 2.602 2.500 2.707     .  0 0 "[    .    1    .    2]" 1 
        782 1 42 ILE H    1 43 VAL HB   . . 4.960 4.762 4.557 4.907     .  0 0 "[    .    1    .    2]" 1 
        783 1 42 ILE H    1 43 VAL MG2  . . 5.210 4.184 3.948 4.458     .  0 0 "[    .    1    .    2]" 1 
        784 1 42 ILE H    1 44 GLU H    . . 4.380 4.205 3.999 4.363     .  0 0 "[    .    1    .    2]" 1 
        785 1 42 ILE HA   1 42 ILE MD   . . 3.790 3.552 3.466 3.650     .  0 0 "[    .    1    .    2]" 1 
        786 1 42 ILE HA   1 42 ILE HG12 . . 4.250 4.225 4.197 4.238     .  0 0 "[    .    1    .    2]" 1 
        787 1 42 ILE HA   1 42 ILE HG13 . . 3.800 3.588 3.558 3.613     .  0 0 "[    .    1    .    2]" 1 
        788 1 42 ILE HA   1 42 ILE MG   . . 3.540 2.405 2.222 2.536     .  0 0 "[    .    1    .    2]" 1 
        789 1 42 ILE HA   1 44 GLU H    . . 4.980 4.337 3.898 4.650     .  0 0 "[    .    1    .    2]" 1 
        790 1 42 ILE HA   1 45 ASN H    . . 3.870 3.319 3.125 3.477     .  0 0 "[    .    1    .    2]" 1 
        791 1 42 ILE HA   1 45 ASN HB2  . . 3.920 2.372 2.189 2.566     .  0 0 "[    .    1    .    2]" 1 
        792 1 42 ILE HA   1 45 ASN HB3  . . 4.550 3.788 3.650 4.104     .  0 0 "[    .    1    .    2]" 1 
        793 1 42 ILE HA   1 45 ASN HD21 . . 4.370 3.269 2.723 4.080     .  0 0 "[    .    1    .    2]" 1 
        794 1 42 ILE HA   1 46 LEU H    . . 4.070 3.629 3.384 3.839     .  0 0 "[    .    1    .    2]" 1 
        795 1 42 ILE HA   1 46 LEU MD1  . . 4.270 3.678 3.394 3.950     .  0 0 "[    .    1    .    2]" 1 
        796 1 42 ILE HA   1 46 LEU HG   . . 4.280 2.935 2.602 3.335     .  0 0 "[    .    1    .    2]" 1 
        797 1 42 ILE HB   1 42 ILE MD   . . 3.120 2.209 2.118 2.274     .  0 0 "[    .    1    .    2]" 1 
        798 1 42 ILE HB   1 43 VAL H    . . 3.990 3.934 3.752 3.992 0.002  1 0 "[    .    1    .    2]" 1 
        799 1 42 ILE HB   1 46 LEU MD1  . . 3.800 2.452 2.040 2.865     .  0 0 "[    .    1    .    2]" 1 
        800 1 42 ILE HB   1 73 VAL MG2  . . 4.760 3.229 2.830 3.552     .  0 0 "[    .    1    .    2]" 1 
        801 1 42 ILE MD   1 42 ILE MG   . . 3.260 3.138 3.116 3.177     .  0 0 "[    .    1    .    2]" 1 
        802 1 42 ILE MD   1 43 VAL H    . . 3.740 2.665 2.376 2.863     .  0 0 "[    .    1    .    2]" 1 
        803 1 42 ILE MD   1 43 VAL HA   . . 4.270 2.354 2.089 2.494     .  0 0 "[    .    1    .    2]" 1 
        804 1 42 ILE MD   1 43 VAL MG2  . . 2.970 1.904 1.790 2.191     .  0 0 "[    .    1    .    2]" 1 
        805 1 42 ILE MD   1 44 GLU H    . . 4.980 4.467 4.351 4.627     .  0 0 "[    .    1    .    2]" 1 
        806 1 42 ILE MD   1 45 ASN H    . . 5.500 4.820 4.682 4.956     .  0 0 "[    .    1    .    2]" 1 
        807 1 42 ILE MD   1 46 LEU H    . . 4.750 4.169 4.004 4.443     .  0 0 "[    .    1    .    2]" 1 
        808 1 42 ILE MD   1 46 LEU HB2  . . 4.160 3.295 2.936 3.709     .  0 0 "[    .    1    .    2]" 1 
        809 1 42 ILE MD   1 46 LEU HG   . . 4.230 3.649 3.298 4.166     .  0 0 "[    .    1    .    2]" 1 
        810 1 42 ILE MD   1 66 CYS QB   . . 4.980 4.646 4.242 4.987 0.007 20 0 "[    .    1    .    2]" 1 
        811 1 42 ILE MD   1 73 VAL MG2  . . 3.320 2.744 2.428 3.103     .  0 0 "[    .    1    .    2]" 1 
        812 1 42 ILE HG12 1 42 ILE MG   . . 3.530 2.148 1.998 2.229     .  0 0 "[    .    1    .    2]" 1 
        813 1 42 ILE HG12 1 43 VAL H    . . 4.240 3.689 3.591 3.785     .  0 0 "[    .    1    .    2]" 1 
        814 1 42 ILE HG12 1 66 CYS QB   . . 4.640 4.470 4.316 4.677 0.037  7 0 "[    .    1    .    2]" 1 
        815 1 42 ILE HG12 1 69 GLU QG   . . 4.700 3.219 2.385 4.467     .  0 0 "[    .    1    .    2]" 1 
        816 1 42 ILE HG12 1 73 VAL MG2  . . 4.280 3.341 3.141 3.834     .  0 0 "[    .    1    .    2]" 1 
        817 1 42 ILE HG13 1 43 VAL MG2  . . 4.460 2.499 2.188 2.973     .  0 0 "[    .    1    .    2]" 1 
        818 1 42 ILE HG13 1 66 CYS QB   . . 5.340 5.310 5.170 5.344 0.004 10 0 "[    .    1    .    2]" 1 
        819 1 42 ILE HG13 1 73 VAL MG2  . . 5.170 4.619 4.407 4.995     .  0 0 "[    .    1    .    2]" 1 
        820 1 42 ILE MG   1 43 VAL H    . . 4.940 3.785 3.670 3.967     .  0 0 "[    .    1    .    2]" 1 
        821 1 42 ILE MG   1 45 ASN H    . . 5.500 5.092 4.952 5.211     .  0 0 "[    .    1    .    2]" 1 
        822 1 42 ILE MG   1 46 LEU HG   . . 5.430 4.213 3.862 4.515     .  0 0 "[    .    1    .    2]" 1 
        823 1 42 ILE MG   1 66 CYS HA   . . 4.020 2.290 1.968 2.995     .  0 0 "[    .    1    .    2]" 1 
        824 1 42 ILE MG   1 66 CYS HB2  . . 3.940 3.057 1.764 3.493     .  0 0 "[    .    1    .    2]" 1 
        825 1 42 ILE MG   1 66 CYS QB   . . 3.250 1.897 1.750 1.984     .  0 0 "[    .    1    .    2]" 1 
        826 1 42 ILE MG   1 66 CYS HB3  . . 3.940 2.148 1.828 3.143     .  0 0 "[    .    1    .    2]" 1 
        827 1 42 ILE MG   1 69 GLU HB2  . . 4.140 3.200 2.039 4.148 0.008 11 0 "[    .    1    .    2]" 1 
        828 1 42 ILE MG   1 69 GLU QB   . . 3.330 2.267 1.808 2.949     .  0 0 "[    .    1    .    2]" 1 
        829 1 42 ILE MG   1 69 GLU HB3  . . 4.140 2.400 1.833 3.018     .  0 0 "[    .    1    .    2]" 1 
        830 1 42 ILE MG   1 69 GLU QG   . . 3.630 2.908 2.138 3.635 0.005 11 0 "[    .    1    .    2]" 1 
        831 1 42 ILE MG   1 70 GLY H    . . 4.490 3.646 3.059 4.081     .  0 0 "[    .    1    .    2]" 1 
        832 1 42 ILE MG   1 70 GLY HA2  . . 4.590 3.918 3.317 4.453     .  0 0 "[    .    1    .    2]" 1 
        833 1 42 ILE MG   1 70 GLY HA3  . . 5.430 4.633 4.157 5.142     .  0 0 "[    .    1    .    2]" 1 
        834 1 42 ILE MG   1 73 VAL H    . . 5.500 5.376 4.874 5.504 0.004 15 0 "[    .    1    .    2]" 1 
        835 1 42 ILE MG   1 73 VAL MG2  . . 3.490 2.962 2.468 3.175     .  0 0 "[    .    1    .    2]" 1 
        836 1 43 VAL H    1 43 VAL HB   . . 3.010 2.421 2.323 2.529     .  0 0 "[    .    1    .    2]" 1 
        837 1 43 VAL H    1 43 VAL MG1  . . 3.970 3.741 3.699 3.763     .  0 0 "[    .    1    .    2]" 1 
        838 1 43 VAL H    1 43 VAL MG2  . . 2.820 2.344 2.127 2.656     .  0 0 "[    .    1    .    2]" 1 
        839 1 43 VAL H    1 44 GLU H    . . 3.280 2.602 2.501 2.696     .  0 0 "[    .    1    .    2]" 1 
        840 1 43 VAL H    1 45 ASN H    . . 4.620 3.838 3.699 4.004     .  0 0 "[    .    1    .    2]" 1 
        841 1 43 VAL HA   1 43 VAL MG1  . . 3.210 2.482 2.359 2.557     .  0 0 "[    .    1    .    2]" 1 
        842 1 43 VAL HA   1 43 VAL MG2  . . 3.160 2.297 2.148 2.420     .  0 0 "[    .    1    .    2]" 1 
        843 1 43 VAL HA   1 45 ASN H    . . 4.770 4.316 4.026 4.578     .  0 0 "[    .    1    .    2]" 1 
        844 1 43 VAL HA   1 46 LEU H    . . 4.360 3.682 3.412 3.934     .  0 0 "[    .    1    .    2]" 1 
        845 1 43 VAL HA   1 47 GLY H    . . 4.040 3.757 3.428 4.039     .  0 0 "[    .    1    .    2]" 1 
        846 1 43 VAL HA   1 47 GLY HA3  . . 5.310 4.265 3.934 4.609     .  0 0 "[    .    1    .    2]" 1 
        847 1 43 VAL HB   1 44 GLU H    . . 3.170 2.717 2.510 3.010     .  0 0 "[    .    1    .    2]" 1 
        848 1 43 VAL MG1  1 44 GLU H    . . 3.770 3.350 3.132 3.574     .  0 0 "[    .    1    .    2]" 1 
        849 1 43 VAL MG1  1 44 GLU HA   . . 3.930 3.336 3.112 3.532     .  0 0 "[    .    1    .    2]" 1 
        850 1 43 VAL MG1  1 44 GLU QB   . . 5.320 4.351 3.869 4.554     .  0 0 "[    .    1    .    2]" 1 
        851 1 43 VAL MG1  1 45 ASN H    . . 5.480 4.830 4.617 5.106     .  0 0 "[    .    1    .    2]" 1 
        852 1 43 VAL MG1  1 47 GLY H    . . 4.660 4.129 3.829 4.389     .  0 0 "[    .    1    .    2]" 1 
        853 1 43 VAL MG1  1 47 GLY HA2  . . 5.050 4.319 3.898 4.615     .  0 0 "[    .    1    .    2]" 1 
        854 1 43 VAL MG1  1 47 GLY HA3  . . 5.020 3.417 3.059 3.874     .  0 0 "[    .    1    .    2]" 1 
        855 1 43 VAL MG2  1 44 GLU H    . . 4.040 3.955 3.810 4.048 0.008  2 0 "[    .    1    .    2]" 1 
        856 1 44 GLU H    1 44 GLU QB   . . 2.830 2.273 2.173 2.392     .  0 0 "[    .    1    .    2]" 1 
        857 1 44 GLU H    1 44 GLU HG2  . . 4.140 3.201 2.638 4.059     .  0 0 "[    .    1    .    2]" 1 
        858 1 44 GLU H    1 44 GLU HG3  . . 4.140 3.639 2.482 4.299 0.159 14 0 "[    .    1    .    2]" 1 
        859 1 44 GLU H    1 45 ASN H    . . 3.200 2.359 2.167 2.500     .  0 0 "[    .    1    .    2]" 1 
        860 1 44 GLU H    1 45 ASN HA   . . 5.290 5.023 4.868 5.148     .  0 0 "[    .    1    .    2]" 1 
        861 1 44 GLU H    1 45 ASN HB2  . . 4.820 4.310 4.071 4.564     .  0 0 "[    .    1    .    2]" 1 
        862 1 44 GLU H    1 45 ASN HD21 . . 5.170 4.560 3.532 5.030     .  0 0 "[    .    1    .    2]" 1 
        863 1 44 GLU HA   1 44 GLU HG2  . . 4.090 2.846 2.333 3.807     .  0 0 "[    .    1    .    2]" 1 
        864 1 44 GLU HA   1 44 GLU QG   . . 3.460 2.600 2.252 2.935     .  0 0 "[    .    1    .    2]" 1 
        865 1 44 GLU HA   1 44 GLU HG3  . . 4.090 3.358 2.409 3.730     .  0 0 "[    .    1    .    2]" 1 
        866 1 44 GLU HA   1 47 GLY H    . . 4.230 3.400 3.181 3.633     .  0 0 "[    .    1    .    2]" 1 
        867 1 44 GLU QB   1 45 ASN H    . . 3.160 2.901 2.761 3.096     .  0 0 "[    .    1    .    2]" 1 
        868 1 44 GLU QB   1 45 ASN HD21 . . 5.090 4.137 2.587 4.676     .  0 0 "[    .    1    .    2]" 1 
        869 1 44 GLU QB   1 45 ASN HD22 . . 5.280 4.559 3.511 4.957     .  0 0 "[    .    1    .    2]" 1 
        870 1 44 GLU HG2  1 45 ASN H    . . 5.500 4.763 3.357 5.399     .  0 0 "[    .    1    .    2]" 1 
        871 1 44 GLU HG3  1 45 ASN H    . . 5.500 5.032 3.794 5.398     .  0 0 "[    .    1    .    2]" 1 
        872 1 45 ASN H    1 45 ASN HB2  . . 2.980 2.235 2.182 2.313     .  0 0 "[    .    1    .    2]" 1 
        873 1 45 ASN H    1 45 ASN HB3  . . 3.600 3.522 3.485 3.577     .  0 0 "[    .    1    .    2]" 1 
        874 1 45 ASN H    1 45 ASN HD21 . . 4.030 3.146 1.919 3.516     .  0 0 "[    .    1    .    2]" 1 
        875 1 45 ASN H    1 45 ASN HD22 . . 4.520 4.351 3.634 4.519     .  0 0 "[    .    1    .    2]" 1 
        876 1 45 ASN H    1 46 LEU H    . . 3.060 2.367 2.145 2.620     .  0 0 "[    .    1    .    2]" 1 
        877 1 45 ASN H    1 46 LEU HA   . . 5.290 5.058 4.880 5.234     .  0 0 "[    .    1    .    2]" 1 
        878 1 45 ASN H    1 46 LEU HB2  . . 5.500 4.757 4.557 5.142     .  0 0 "[    .    1    .    2]" 1 
        879 1 45 ASN H    1 46 LEU MD2  . . 5.500 4.831 4.424 5.175     .  0 0 "[    .    1    .    2]" 1 
        880 1 45 ASN H    1 46 LEU HG   . . 4.360 4.170 3.932 4.362 0.002  2 0 "[    .    1    .    2]" 1 
        881 1 45 ASN H    1 65 VAL QG   . . 5.440 4.817 4.477 5.102     .  0 0 "[    .    1    .    2]" 1 
        882 1 45 ASN HA   1 45 ASN HD22 . . 5.040 4.272 3.826 4.461     .  0 0 "[    .    1    .    2]" 1 
        883 1 45 ASN HA   1 47 GLY H    . . 4.820 4.210 4.032 4.576     .  0 0 "[    .    1    .    2]" 1 
        884 1 45 ASN HB2  1 45 ASN HD22 . . 4.050 3.456 3.434 3.627     .  0 0 "[    .    1    .    2]" 1 
        885 1 45 ASN HB2  1 46 LEU H    . . 3.520 2.969 2.677 3.197     .  0 0 "[    .    1    .    2]" 1 
        886 1 45 ASN HB2  1 46 LEU MD1  . . 5.120 4.677 4.491 4.854     .  0 0 "[    .    1    .    2]" 1 
        887 1 45 ASN HB2  1 46 LEU MD2  . . 4.470 3.669 3.190 4.089     .  0 0 "[    .    1    .    2]" 1 
        888 1 45 ASN HB2  1 46 LEU HG   . . 4.530 3.302 3.107 3.482     .  0 0 "[    .    1    .    2]" 1 
        889 1 45 ASN HB2  1 65 VAL QG   . . 4.070 3.155 2.724 3.473     .  0 0 "[    .    1    .    2]" 1 
        890 1 45 ASN HB3  1 46 LEU H    . . 3.750 3.551 3.164 3.735     .  0 0 "[    .    1    .    2]" 1 
        891 1 45 ASN HB3  1 46 LEU MD2  . . 4.280 2.947 2.412 3.366     .  0 0 "[    .    1    .    2]" 1 
        892 1 45 ASN HB3  1 46 LEU HG   . . 4.590 3.588 3.374 3.780     .  0 0 "[    .    1    .    2]" 1 
        893 1 45 ASN HB3  1 65 VAL QG   . . 3.780 2.076 1.873 2.492     .  0 0 "[    .    1    .    2]" 1 
        894 1 45 ASN HD21 1 65 VAL QG   . . 4.490 3.634 2.949 4.441     .  0 0 "[    .    1    .    2]" 1 
        895 1 45 ASN HD22 1 65 VAL QG   . . 4.880 3.694 2.978 4.549     .  0 0 "[    .    1    .    2]" 1 
        896 1 46 LEU H    1 46 LEU HB2  . . 3.200 2.598 2.488 2.694     .  0 0 "[    .    1    .    2]" 1 
        897 1 46 LEU H    1 46 LEU HB3  . . 3.810 3.701 3.622 3.755     .  0 0 "[    .    1    .    2]" 1 
        898 1 46 LEU H    1 46 LEU MD1  . . 4.070 3.920 3.621 4.071 0.001 20 0 "[    .    1    .    2]" 1 
        899 1 46 LEU H    1 46 LEU MD2  . . 3.490 3.423 3.079 3.492 0.002 20 0 "[    .    1    .    2]" 1 
        900 1 46 LEU H    1 46 LEU HG   . . 3.220 2.598 2.144 2.813     .  0 0 "[    .    1    .    2]" 1 
        901 1 46 LEU H    1 47 GLY H    . . 2.990 2.113 1.946 2.343     .  0 0 "[    .    1    .    2]" 1 
        902 1 46 LEU H    1 47 GLY HA3  . . 4.660 4.338 4.194 4.606     .  0 0 "[    .    1    .    2]" 1 
        903 1 46 LEU H    1 48 ILE H    . . 4.690 4.157 3.797 4.417     .  0 0 "[    .    1    .    2]" 1 
        904 1 46 LEU HA   1 46 LEU MD1  . . 4.180 3.857 3.792 3.956     .  0 0 "[    .    1    .    2]" 1 
        905 1 46 LEU HA   1 46 LEU MD2  . . 3.040 2.029 1.963 2.221     .  0 0 "[    .    1    .    2]" 1 
        906 1 46 LEU HA   1 48 ILE H    . . 4.080 3.270 3.193 3.461     .  0 0 "[    .    1    .    2]" 1 
        907 1 46 LEU HA   1 48 ILE MD   . . 5.330 4.584 4.273 4.876     .  0 0 "[    .    1    .    2]" 1 
        908 1 46 LEU HA   1 48 ILE QG   . . 4.870 3.451 3.271 3.615     .  0 0 "[    .    1    .    2]" 1 
        909 1 46 LEU HA   1 49 LEU H    . . 3.780 3.505 3.323 3.715     .  0 0 "[    .    1    .    2]" 1 
        910 1 46 LEU HA   1 49 LEU HB2  . . 4.480 3.666 3.245 3.985     .  0 0 "[    .    1    .    2]" 1 
        911 1 46 LEU HA   1 49 LEU MD1  . . 3.600 3.162 2.918 3.441     .  0 0 "[    .    1    .    2]" 1 
        912 1 46 LEU HA   1 49 LEU HG   . . 4.170 3.399 2.894 3.679     .  0 0 "[    .    1    .    2]" 1 
        913 1 46 LEU HA   1 54 LEU MD1  . . 4.690 3.588 3.319 4.102     .  0 0 "[    .    1    .    2]" 1 
        914 1 46 LEU HB2  1 46 LEU MD1  . . 3.290 2.373 2.168 2.478     .  0 0 "[    .    1    .    2]" 1 
        915 1 46 LEU HB2  1 47 GLY H    . . 3.950 3.306 2.895 3.585     .  0 0 "[    .    1    .    2]" 1 
        916 1 46 LEU HB2  1 54 LEU MD1  . . 4.200 3.538 3.333 3.848     .  0 0 "[    .    1    .    2]" 1 
        917 1 46 LEU HB3  1 46 LEU MD1  . . 3.320 2.301 2.183 2.464     .  0 0 "[    .    1    .    2]" 1 
        918 1 46 LEU HB3  1 46 LEU MD2  . . 3.410 2.358 2.263 2.449     .  0 0 "[    .    1    .    2]" 1 
        919 1 46 LEU HB3  1 47 GLY H    . . 4.380 4.216 3.936 4.364     .  0 0 "[    .    1    .    2]" 1 
        920 1 46 LEU HB3  1 49 LEU MD1  . . 4.190 4.010 3.682 4.192 0.002 15 0 "[    .    1    .    2]" 1 
        921 1 46 LEU HB3  1 54 LEU MD1  . . 3.350 2.111 1.942 2.407     .  0 0 "[    .    1    .    2]" 1 
        922 1 46 LEU MD1  1 54 LEU MD1  . . 2.850 2.403 2.057 2.772     .  0 0 "[    .    1    .    2]" 1 
        923 1 46 LEU MD1  1 62 LEU HA   . . 4.940 3.916 3.387 4.536     .  0 0 "[    .    1    .    2]" 1 
        924 1 46 LEU MD1  1 62 LEU MD1  . . 4.810 3.958 3.644 4.543     .  0 0 "[    .    1    .    2]" 1 
        925 1 46 LEU MD1  1 62 LEU MD2  . . 3.050 1.981 1.747 2.568     .  0 0 "[    .    1    .    2]" 1 
        926 1 46 LEU MD1  1 65 VAL QG   . . 5.070 3.973 2.974 4.803     .  0 0 "[    .    1    .    2]" 1 
        927 1 46 LEU MD1  1 66 CYS HB2  . . 5.380 4.393 3.869 4.735     .  0 0 "[    .    1    .    2]" 1 
        928 1 46 LEU MD1  1 66 CYS QB   . . 4.530 3.813 3.187 4.064     .  0 0 "[    .    1    .    2]" 1 
        929 1 46 LEU MD1  1 66 CYS HB3  . . 5.380 4.275 3.309 5.074     .  0 0 "[    .    1    .    2]" 1 
        930 1 46 LEU MD1  1 70 GLY HA2  . . 5.500 4.355 4.091 4.609     .  0 0 "[    .    1    .    2]" 1 
        931 1 46 LEU MD1  1 70 GLY HA3  . . 5.500 5.303 5.047 5.502 0.002 10 0 "[    .    1    .    2]" 1 
        932 1 46 LEU MD1  1 73 VAL MG2  . . 3.770 3.119 2.811 3.682     .  0 0 "[    .    1    .    2]" 1 
        933 1 46 LEU MD2  1 47 GLY H    . . 4.710 4.597 4.408 4.692     .  0 0 "[    .    1    .    2]" 1 
        934 1 46 LEU MD2  1 49 LEU H    . . 5.500 4.856 4.674 5.055     .  0 0 "[    .    1    .    2]" 1 
        935 1 46 LEU MD2  1 49 LEU HB2  . . 4.690 4.208 3.797 4.562     .  0 0 "[    .    1    .    2]" 1 
        936 1 46 LEU MD2  1 49 LEU MD1  . . 3.410 2.709 2.345 2.983     .  0 0 "[    .    1    .    2]" 1 
        937 1 46 LEU MD2  1 57 LEU MD1  . . 3.460 2.227 1.937 2.518     .  0 0 "[    .    1    .    2]" 1 
        938 1 46 LEU MD2  1 62 LEU HA   . . 4.510 3.425 3.240 3.737     .  0 0 "[    .    1    .    2]" 1 
        939 1 46 LEU MD2  1 65 VAL HB   . . 4.400 3.340 2.642 3.960     .  0 0 "[    .    1    .    2]" 1 
        940 1 46 LEU MD2  1 65 VAL MG1  . . 3.840 2.953 1.872 3.747     .  0 0 "[    .    1    .    2]" 1 
        941 1 46 LEU MD2  1 65 VAL QG   . . 3.220 2.547 1.674 3.218     .  0 0 "[    .    1    .    2]" 1 
        942 1 46 LEU MD2  1 65 VAL MG2  . . 3.840 2.841 1.755 3.506     .  0 0 "[    .    1    .    2]" 1 
        943 1 46 LEU HG   1 47 GLY H    . . 4.720 4.452 4.286 4.677     .  0 0 "[    .    1    .    2]" 1 
        944 1 47 GLY H    1 47 GLY HA2  . . 2.890 2.884 2.796 2.911 0.021 15 0 "[    .    1    .    2]" 1 
        945 1 47 GLY H    1 47 GLY HA3  . . 2.880 2.321 2.294 2.342     .  0 0 "[    .    1    .    2]" 1 
        946 1 47 GLY H    1 48 ILE H    . . 3.480 2.724 2.600 2.940     .  0 0 "[    .    1    .    2]" 1 
        947 1 47 GLY H    1 48 ILE QG   . . 4.660 4.082 3.889 4.281     .  0 0 "[    .    1    .    2]" 1 
        948 1 47 GLY H    1 48 ILE MG   . . 4.890 3.509 3.267 3.967     .  0 0 "[    .    1    .    2]" 1 
        949 1 47 GLY HA2  1 48 ILE MG   . . 5.500 4.478 4.305 4.672     .  0 0 "[    .    1    .    2]" 1 
        950 1 47 GLY HA2  1 49 LEU H    . . 4.310 3.989 3.777 4.158     .  0 0 "[    .    1    .    2]" 1 
        951 1 47 GLY HA3  1 48 ILE MG   . . 5.500 3.750 3.597 3.928     .  0 0 "[    .    1    .    2]" 1 
        952 1 48 ILE H    1 48 ILE HB   . . 3.870 3.761 3.669 3.822     .  0 0 "[    .    1    .    2]" 1 
        953 1 48 ILE H    1 48 ILE MD   . . 3.950 3.730 3.493 3.861     .  0 0 "[    .    1    .    2]" 1 
        954 1 48 ILE H    1 48 ILE HG12 . . 3.500 2.687 2.094 3.500 0.000 17 0 "[    .    1    .    2]" 1 
        955 1 48 ILE H    1 48 ILE QG   . . 2.800 2.149 1.964 2.252     .  0 0 "[    .    1    .    2]" 1 
        956 1 48 ILE H    1 48 ILE HG13 . . 3.500 2.825 1.978 3.485     .  0 0 "[    .    1    .    2]" 1 
        957 1 48 ILE H    1 48 ILE MG   . . 3.180 2.574 2.273 2.881     .  0 0 "[    .    1    .    2]" 1 
        958 1 48 ILE H    1 49 LEU H    . . 2.950 1.994 1.829 2.301     .  0 0 "[    .    1    .    2]" 1 
        959 1 48 ILE H    1 49 LEU HB2  . . 4.490 4.113 3.943 4.405     .  0 0 "[    .    1    .    2]" 1 
        960 1 48 ILE H    1 49 LEU MD2  . . 4.910 4.782 4.593 4.880     .  0 0 "[    .    1    .    2]" 1 
        961 1 48 ILE H    1 49 LEU HG   . . 4.310 3.811 3.672 4.004     .  0 0 "[    .    1    .    2]" 1 
        962 1 48 ILE HA   1 48 ILE MD   . . 4.310 3.929 3.493 4.175     .  0 0 "[    .    1    .    2]" 1 
        963 1 48 ILE HA   1 48 ILE MG   . . 3.050 2.407 2.289 2.538     .  0 0 "[    .    1    .    2]" 1 
        964 1 48 ILE HB   1 48 ILE MD   . . 3.180 2.341 2.190 2.498     .  0 0 "[    .    1    .    2]" 1 
        965 1 48 ILE HB   1 49 LEU H    . . 4.520 4.150 3.967 4.252     .  0 0 "[    .    1    .    2]" 1 
        966 1 48 ILE MD   1 49 LEU H    . . 4.370 3.730 2.711 4.371 0.001 10 0 "[    .    1    .    2]" 1 
        967 1 48 ILE MD   1 49 LEU HA   . . 5.500 3.860 2.426 4.825     .  0 0 "[    .    1    .    2]" 1 
        968 1 48 ILE MD   1 49 LEU HG   . . 4.340 3.045 1.943 3.747     .  0 0 "[    .    1    .    2]" 1 
        969 1 48 ILE QG   1 48 ILE MG   . . 3.230 2.176 1.942 2.383     .  0 0 "[    .    1    .    2]" 1 
        970 1 48 ILE QG   1 49 LEU H    . . 3.510 2.456 2.169 2.698     .  0 0 "[    .    1    .    2]" 1 
        971 1 48 ILE QG   1 49 LEU HA   . . 4.940 3.494 3.146 3.992     .  0 0 "[    .    1    .    2]" 1 
        972 1 48 ILE QG   1 49 LEU MD2  . . 3.690 2.860 2.318 3.496     .  0 0 "[    .    1    .    2]" 1 
        973 1 48 ILE HG12 1 49 LEU MD2  . . 4.250 3.899 3.363 4.251 0.001  6 0 "[    .    1    .    2]" 1 
        974 1 48 ILE HG12 1 49 LEU HG   . . 4.440 3.259 2.751 3.935     .  0 0 "[    .    1    .    2]" 1 
        975 1 48 ILE HG13 1 49 LEU MD2  . . 4.250 2.958 2.344 3.719     .  0 0 "[    .    1    .    2]" 1 
        976 1 48 ILE HG13 1 49 LEU HG   . . 4.440 2.605 2.312 3.176     .  0 0 "[    .    1    .    2]" 1 
        977 1 48 ILE MG   1 49 LEU H    . . 4.590 3.921 3.837 4.034     .  0 0 "[    .    1    .    2]" 1 
        978 1 49 LEU H    1 49 LEU HB2  . . 3.060 2.392 2.354 2.454     .  0 0 "[    .    1    .    2]" 1 
        979 1 49 LEU H    1 49 LEU HB3  . . 3.690 3.604 3.583 3.630     .  0 0 "[    .    1    .    2]" 1 
        980 1 49 LEU H    1 49 LEU MD1  . . 4.250 3.803 3.663 3.945     .  0 0 "[    .    1    .    2]" 1 
        981 1 49 LEU H    1 49 LEU MD2  . . 3.720 3.541 3.382 3.684     .  0 0 "[    .    1    .    2]" 1 
        982 1 49 LEU H    1 49 LEU HG   . . 3.050 2.645 2.456 2.837     .  0 0 "[    .    1    .    2]" 1 
        983 1 49 LEU H    1 50 THR H    . . 4.800 4.587 4.535 4.612     .  0 0 "[    .    1    .    2]" 1 
        984 1 49 LEU HA   1 49 LEU MD2  . . 2.920 2.021 1.948 2.156     .  0 0 "[    .    1    .    2]" 1 
        985 1 49 LEU HA   1 50 THR H    . . 2.850 2.269 2.178 2.337     .  0 0 "[    .    1    .    2]" 1 
        986 1 49 LEU HA   1 50 THR MG   . . 4.110 3.823 3.588 4.054     .  0 0 "[    .    1    .    2]" 1 
        987 1 49 LEU HA   1 53 GLN HB2  . . 4.690 3.485 3.240 3.721     .  0 0 "[    .    1    .    2]" 1 
        988 1 49 LEU HA   1 53 GLN HB3  . . 4.590 3.441 3.053 3.625     .  0 0 "[    .    1    .    2]" 1 
        989 1 49 LEU HB2  1 49 LEU MD1  . . 3.400 2.389 2.340 2.457     .  0 0 "[    .    1    .    2]" 1 
        990 1 49 LEU HB2  1 49 LEU MD2  . . 3.460 3.193 3.189 3.195     .  0 0 "[    .    1    .    2]" 1 
        991 1 49 LEU HB2  1 50 THR H    . . 4.470 3.927 3.773 4.151     .  0 0 "[    .    1    .    2]" 1 
        992 1 49 LEU HB2  1 53 GLN HB3  . . 4.070 3.890 3.735 4.069     .  0 0 "[    .    1    .    2]" 1 
        993 1 49 LEU HB2  1 54 LEU MD1  . . 4.450 3.466 3.306 3.701     .  0 0 "[    .    1    .    2]" 1 
        994 1 49 LEU HB2  1 54 LEU MD2  . . 4.640 4.357 4.149 4.549     .  0 0 "[    .    1    .    2]" 1 
        995 1 49 LEU HB3  1 49 LEU MD1  . . 3.460 2.305 2.197 2.369     .  0 0 "[    .    1    .    2]" 1 
        996 1 49 LEU HB3  1 49 LEU MD2  . . 3.460 2.368 2.286 2.432     .  0 0 "[    .    1    .    2]" 1 
        997 1 49 LEU HB3  1 50 THR H    . . 3.400 2.772 2.567 3.108     .  0 0 "[    .    1    .    2]" 1 
        998 1 49 LEU HB3  1 53 GLN H    . . 4.640 4.497 4.371 4.607     .  0 0 "[    .    1    .    2]" 1 
        999 1 49 LEU HB3  1 53 GLN HB2  . . 4.160 2.490 2.087 2.742     .  0 0 "[    .    1    .    2]" 1 
       1000 1 49 LEU HB3  1 53 GLN HB3  . . 3.940 2.158 2.003 2.338     .  0 0 "[    .    1    .    2]" 1 
       1001 1 49 LEU HB3  1 53 GLN HG2  . . 5.090 4.560 4.300 4.815     .  0 0 "[    .    1    .    2]" 1 
       1002 1 49 LEU HB3  1 53 GLN HG3  . . 5.500 4.710 4.420 4.916     .  0 0 "[    .    1    .    2]" 1 
       1003 1 49 LEU HB3  1 54 LEU H    . . 4.750 3.142 3.055 3.292     .  0 0 "[    .    1    .    2]" 1 
       1004 1 49 LEU HB3  1 54 LEU HA   . . 5.010 3.258 3.058 3.466     .  0 0 "[    .    1    .    2]" 1 
       1005 1 49 LEU HB3  1 54 LEU HB2  . . 4.690 3.295 3.110 3.540     .  0 0 "[    .    1    .    2]" 1 
       1006 1 49 LEU MD1  1 50 THR H    . . 4.940 4.597 4.441 4.791     .  0 0 "[    .    1    .    2]" 1 
       1007 1 49 LEU MD1  1 53 GLN H    . . 5.500 5.411 5.253 5.501 0.001  6 0 "[    .    1    .    2]" 1 
       1008 1 49 LEU MD1  1 53 GLN HB3  . . 4.310 2.883 2.695 3.049     .  0 0 "[    .    1    .    2]" 1 
       1009 1 49 LEU MD1  1 53 GLN HG2  . . 5.500 4.761 4.619 4.975     .  0 0 "[    .    1    .    2]" 1 
       1010 1 49 LEU MD1  1 54 LEU H    . . 4.030 3.887 3.792 4.026     .  0 0 "[    .    1    .    2]" 1 
       1011 1 49 LEU MD1  1 54 LEU HA   . . 2.870 2.365 2.164 2.495     .  0 0 "[    .    1    .    2]" 1 
       1012 1 49 LEU MD1  1 54 LEU HB2  . . 4.400 3.511 3.358 3.675     .  0 0 "[    .    1    .    2]" 1 
       1013 1 49 LEU MD1  1 54 LEU MD2  . . 4.990 4.729 4.579 4.867     .  0 0 "[    .    1    .    2]" 1 
       1014 1 49 LEU MD2  1 50 THR H    . . 3.660 3.315 3.209 3.455     .  0 0 "[    .    1    .    2]" 1 
       1015 1 49 LEU MD2  1 53 GLN H    . . 5.370 5.167 5.132 5.227     .  0 0 "[    .    1    .    2]" 1 
       1016 1 49 LEU MD2  1 53 GLN HA   . . 4.310 4.212 4.068 4.307     .  0 0 "[    .    1    .    2]" 1 
       1017 1 49 LEU MD2  1 53 GLN HB2  . . 3.710 3.286 3.143 3.403     .  0 0 "[    .    1    .    2]" 1 
       1018 1 49 LEU MD2  1 53 GLN HB3  . . 3.610 2.006 1.973 2.095     .  0 0 "[    .    1    .    2]" 1 
       1019 1 49 LEU MD2  1 53 GLN HE21 . . 4.920 4.727 3.932 4.925 0.005 15 0 "[    .    1    .    2]" 1 
       1020 1 49 LEU MD2  1 53 GLN HE22 . . 4.920 4.238 3.548 4.541     .  0 0 "[    .    1    .    2]" 1 
       1021 1 49 LEU MD2  1 53 GLN HG2  . . 4.690 3.512 3.170 3.727     .  0 0 "[    .    1    .    2]" 1 
       1022 1 49 LEU MD2  1 54 LEU H    . . 4.940 4.727 4.601 4.809     .  0 0 "[    .    1    .    2]" 1 
       1023 1 49 LEU HG   1 50 THR H    . . 5.250 4.968 4.880 5.115     .  0 0 "[    .    1    .    2]" 1 
       1024 1 50 THR H    1 50 THR HB   . . 4.200 3.610 3.555 3.629     .  0 0 "[    .    1    .    2]" 1 
       1025 1 50 THR H    1 50 THR HG1  . . 3.960 3.088 2.308 3.617     .  0 0 "[    .    1    .    2]" 1 
       1026 1 50 THR H    1 50 THR MG   . . 3.160 2.557 2.153 2.811     .  0 0 "[    .    1    .    2]" 1 
       1027 1 50 THR H    1 53 GLN H    . . 3.960 3.842 3.806 3.889     .  0 0 "[    .    1    .    2]" 1 
       1028 1 50 THR H    1 53 GLN HB2  . . 3.410 1.910 1.891 1.962     .  0 0 "[    .    1    .    2]" 1 
       1029 1 50 THR H    1 53 GLN HB3  . . 3.090 2.964 2.858 3.097 0.007 15 0 "[    .    1    .    2]" 1 
       1030 1 50 THR H    1 53 GLN HG2  . . 4.710 4.200 4.017 4.354     .  0 0 "[    .    1    .    2]" 1 
       1031 1 50 THR H    1 53 GLN HG3  . . 4.940 3.507 3.309 3.726     .  0 0 "[    .    1    .    2]" 1 
       1032 1 50 THR H    1 54 LEU H    . . 4.550 4.131 3.896 4.345     .  0 0 "[    .    1    .    2]" 1 
       1033 1 50 THR HA   1 50 THR MG   . . 3.170 2.272 2.190 2.420     .  0 0 "[    .    1    .    2]" 1 
       1034 1 50 THR HA   1 51 GLY H    . . 3.090 2.598 2.436 2.656     .  0 0 "[    .    1    .    2]" 1 
       1035 1 50 THR HB   1 51 GLY H    . . 3.160 1.998 1.896 2.319     .  0 0 "[    .    1    .    2]" 1 
       1036 1 50 THR HB   1 52 PRO HD2  . . 3.770 2.175 2.002 2.318     .  0 0 "[    .    1    .    2]" 1 
       1037 1 50 THR HB   1 52 PRO HD3  . . 4.810 3.722 3.595 3.858     .  0 0 "[    .    1    .    2]" 1 
       1038 1 50 THR HB   1 53 GLN H    . . 4.310 3.803 3.576 4.116     .  0 0 "[    .    1    .    2]" 1 
       1039 1 50 THR HG1  1 50 THR MG   . . 3.290 2.695 2.230 3.034     .  0 0 "[    .    1    .    2]" 1 
       1040 1 50 THR HG1  1 51 GLY H    . . 4.580 3.674 3.341 4.292     .  0 0 "[    .    1    .    2]" 1 
       1041 1 50 THR HG1  1 52 PRO HD2  . . 4.310 2.458 2.020 2.926     .  0 0 "[    .    1    .    2]" 1 
       1042 1 50 THR HG1  1 52 PRO HD3  . . 4.690 4.057 3.625 4.480     .  0 0 "[    .    1    .    2]" 1 
       1043 1 50 THR HG1  1 53 GLN H    . . 3.470 2.296 1.892 2.868     .  0 0 "[    .    1    .    2]" 1 
       1044 1 50 THR HG1  1 53 GLN HE21 . . 5.180 3.007 2.162 3.762     .  0 0 "[    .    1    .    2]" 1 
       1045 1 50 THR HG1  1 53 GLN HG3  . . 4.120 2.357 2.006 2.747     .  0 0 "[    .    1    .    2]" 1 
       1046 1 50 THR MG   1 51 GLY H    . . 3.970 3.449 3.153 3.652     .  0 0 "[    .    1    .    2]" 1 
       1047 1 50 THR MG   1 52 PRO HD2  . . 4.750 3.794 3.717 3.847     .  0 0 "[    .    1    .    2]" 1 
       1048 1 50 THR MG   1 53 GLN H    . . 4.660 4.395 4.217 4.569     .  0 0 "[    .    1    .    2]" 1 
       1049 1 50 THR MG   1 53 GLN HE22 . . 4.770 2.711 2.212 3.188     .  0 0 "[    .    1    .    2]" 1 
       1050 1 50 THR MG   1 53 GLN HG2  . . 5.500 4.831 4.399 5.172     .  0 0 "[    .    1    .    2]" 1 
       1051 1 50 THR MG   1 53 GLN HG3  . . 3.980 3.711 3.391 3.980     .  0 0 "[    .    1    .    2]" 1 
       1052 1 51 GLY H    1 52 PRO HD2  . . 4.000 2.255 2.182 2.400     .  0 0 "[    .    1    .    2]" 1 
       1053 1 51 GLY H    1 52 PRO HD3  . . 3.510 3.261 3.201 3.385     .  0 0 "[    .    1    .    2]" 1 
       1054 1 51 GLY H    1 52 PRO HG2  . . 4.710 4.486 4.414 4.629     .  0 0 "[    .    1    .    2]" 1 
       1055 1 51 GLY H    1 53 GLN H    . . 4.840 4.278 4.065 4.425     .  0 0 "[    .    1    .    2]" 1 
       1056 1 51 GLY H    1 54 LEU HB3  . . 5.500 5.464 5.378 5.505 0.005 15 0 "[    .    1    .    2]" 1 
       1057 1 51 GLY HA2  1 53 GLN H    . . 5.120 4.898 4.674 5.080     .  0 0 "[    .    1    .    2]" 1 
       1058 1 51 GLY HA2  1 54 LEU H    . . 4.230 4.174 4.073 4.242 0.012  2 0 "[    .    1    .    2]" 1 
       1059 1 51 GLY HA2  1 54 LEU HB2  . . 4.870 4.720 4.525 4.848     .  0 0 "[    .    1    .    2]" 1 
       1060 1 51 GLY HA2  1 54 LEU HB3  . . 4.370 3.618 3.504 3.672     .  0 0 "[    .    1    .    2]" 1 
       1061 1 51 GLY HA2  1 54 LEU MD2  . . 4.870 3.956 3.860 4.114     .  0 0 "[    .    1    .    2]" 1 
       1062 1 51 GLY HA3  1 54 LEU HB3  . . 5.250 5.032 4.932 5.097     .  0 0 "[    .    1    .    2]" 1 
       1063 1 52 PRO HA   1 55 PHE H    . . 3.930 3.477 3.375 3.568     .  0 0 "[    .    1    .    2]" 1 
       1064 1 52 PRO HA   1 55 PHE HB2  . . 3.810 2.623 2.457 2.767     .  0 0 "[    .    1    .    2]" 1 
       1065 1 52 PRO HA   1 55 PHE HB3  . . 4.840 4.273 4.080 4.459     .  0 0 "[    .    1    .    2]" 1 
       1066 1 52 PRO HA   1 55 PHE QD   . . 4.160 2.582 2.218 2.828     .  0 0 "[    .    1    .    2]" 1 
       1067 1 52 PRO HB2  1 53 GLN H    . . 3.480 3.022 2.869 3.206     .  0 0 "[    .    1    .    2]" 1 
       1068 1 52 PRO HB2  1 53 GLN HG3  . . 4.470 4.337 4.104 4.470 0.000 17 0 "[    .    1    .    2]" 1 
       1069 1 52 PRO HB2  1 55 PHE QD   . . 5.500 5.234 4.898 5.458     .  0 0 "[    .    1    .    2]" 1 
       1070 1 52 PRO HB3  1 53 GLN H    . . 4.070 3.961 3.872 4.066     .  0 0 "[    .    1    .    2]" 1 
       1071 1 52 PRO HD2  1 53 GLN H    . . 3.620 2.711 2.657 2.771     .  0 0 "[    .    1    .    2]" 1 
       1072 1 52 PRO HD2  1 53 GLN HB2  . . 5.180 4.155 4.074 4.268     .  0 0 "[    .    1    .    2]" 1 
       1073 1 52 PRO HD2  1 54 LEU H    . . 4.540 4.474 4.433 4.538     .  0 0 "[    .    1    .    2]" 1 
       1074 1 52 PRO HD3  1 53 GLN H    . . 4.250 3.857 3.838 3.881     .  0 0 "[    .    1    .    2]" 1 
       1075 1 52 PRO HG2  1 53 GLN H    . . 4.040 2.034 1.895 2.218     .  0 0 "[    .    1    .    2]" 1 
       1076 1 53 GLN H    1 53 GLN HB2  . . 3.380 2.334 2.233 2.477     .  0 0 "[    .    1    .    2]" 1 
       1077 1 53 GLN H    1 53 GLN HB3  . . 3.910 3.560 3.522 3.600     .  0 0 "[    .    1    .    2]" 1 
       1078 1 53 GLN H    1 53 GLN HE21 . . 4.730 4.361 3.951 4.726     .  0 0 "[    .    1    .    2]" 1 
       1079 1 53 GLN H    1 53 GLN HG3  . . 2.900 2.547 2.258 2.758     .  0 0 "[    .    1    .    2]" 1 
       1080 1 53 GLN H    1 54 LEU H    . . 3.160 2.832 2.735 2.909     .  0 0 "[    .    1    .    2]" 1 
       1081 1 53 GLN H    1 54 LEU HB2  . . 5.500 5.472 5.344 5.507 0.007  6 0 "[    .    1    .    2]" 1 
       1082 1 53 GLN H    1 55 PHE H    . . 5.360 4.616 4.366 4.790     .  0 0 "[    .    1    .    2]" 1 
       1083 1 53 GLN HA   1 53 GLN HG2  . . 3.810 2.423 2.293 2.555     .  0 0 "[    .    1    .    2]" 1 
       1084 1 53 GLN HA   1 53 GLN HG3  . . 4.030 2.859 2.631 2.999     .  0 0 "[    .    1    .    2]" 1 
       1085 1 53 GLN HA   1 56 SER H    . . 4.210 3.803 3.746 3.863     .  0 0 "[    .    1    .    2]" 1 
       1086 1 53 GLN HB2  1 53 GLN HE22 . . 4.980 4.310 3.854 4.544     .  0 0 "[    .    1    .    2]" 1 
       1087 1 53 GLN HB2  1 54 LEU H    . . 3.610 2.819 2.723 2.907     .  0 0 "[    .    1    .    2]" 1 
       1088 1 53 GLN HB2  1 55 PHE H    . . 5.500 5.422 5.270 5.502 0.002  6 0 "[    .    1    .    2]" 1 
       1089 1 53 GLN HB3  1 54 LEU H    . . 3.570 3.476 3.328 3.575 0.005  2 0 "[    .    1    .    2]" 1 
       1090 1 53 GLN HB3  1 56 SER H    . . 5.500 5.480 5.440 5.503 0.003 15 0 "[    .    1    .    2]" 1 
       1091 1 53 GLN HE21 1 53 GLN HG3  . . 3.480 2.201 2.118 2.374     .  0 0 "[    .    1    .    2]" 1 
       1092 1 53 GLN HE22 1 53 GLN HG3  . . 3.640 3.470 3.437 3.538     .  0 0 "[    .    1    .    2]" 1 
       1093 1 53 GLN HG2  1 54 LEU H    . . 5.500 5.084 5.039 5.143     .  0 0 "[    .    1    .    2]" 1 
       1094 1 53 GLN HG3  1 54 LEU H    . . 5.500 4.667 4.505 4.775     .  0 0 "[    .    1    .    2]" 1 
       1095 1 54 LEU H    1 54 LEU HB2  . . 3.030 2.778 2.711 2.864     .  0 0 "[    .    1    .    2]" 1 
       1096 1 54 LEU H    1 54 LEU HB3  . . 3.030 2.294 2.233 2.337     .  0 0 "[    .    1    .    2]" 1 
       1097 1 54 LEU H    1 54 LEU MD1  . . 4.450 4.238 4.195 4.287     .  0 0 "[    .    1    .    2]" 1 
       1098 1 54 LEU H    1 54 LEU MD2  . . 4.200 4.164 4.119 4.202 0.002 16 0 "[    .    1    .    2]" 1 
       1099 1 54 LEU H    1 54 LEU HG   . . 4.370 4.307 4.228 4.357     .  0 0 "[    .    1    .    2]" 1 
       1100 1 54 LEU H    1 56 SER H    . . 4.490 3.782 3.647 3.927     .  0 0 "[    .    1    .    2]" 1 
       1101 1 54 LEU HA   1 54 LEU MD1  . . 3.160 2.231 2.060 2.393     .  0 0 "[    .    1    .    2]" 1 
       1102 1 54 LEU HA   1 54 LEU MD2  . . 4.310 3.938 3.883 3.971     .  0 0 "[    .    1    .    2]" 1 
       1103 1 54 LEU HA   1 54 LEU HG   . . 4.140 3.300 3.234 3.385     .  0 0 "[    .    1    .    2]" 1 
       1104 1 54 LEU HA   1 56 SER H    . . 4.660 3.989 3.824 4.116     .  0 0 "[    .    1    .    2]" 1 
       1105 1 54 LEU HA   1 57 LEU H    . . 3.970 3.624 3.490 3.783     .  0 0 "[    .    1    .    2]" 1 
       1106 1 54 LEU HA   1 57 LEU MD1  . . 3.560 2.811 2.254 3.183     .  0 0 "[    .    1    .    2]" 1 
       1107 1 54 LEU HA   1 57 LEU HG   . . 3.880 3.029 2.720 3.271     .  0 0 "[    .    1    .    2]" 1 
       1108 1 54 LEU HB2  1 54 LEU MD2  . . 3.540 2.359 2.300 2.427     .  0 0 "[    .    1    .    2]" 1 
       1109 1 54 LEU HB2  1 55 PHE H    . . 4.370 3.800 3.715 3.905     .  0 0 "[    .    1    .    2]" 1 
       1110 1 54 LEU HB2  1 77 LEU QD   . . 5.060 4.585 4.208 4.863     .  0 0 "[    .    1    .    2]" 1 
       1111 1 54 LEU HB3  1 54 LEU MD1  . . 3.660 3.192 3.185 3.196     .  0 0 "[    .    1    .    2]" 1 
       1112 1 54 LEU HB3  1 54 LEU MD2  . . 3.410 2.283 2.193 2.360     .  0 0 "[    .    1    .    2]" 1 
       1113 1 54 LEU HB3  1 55 PHE H    . . 3.230 2.360 2.232 2.515     .  0 0 "[    .    1    .    2]" 1 
       1114 1 54 LEU HB3  1 56 SER H    . . 4.770 4.657 4.493 4.772 0.002  7 0 "[    .    1    .    2]" 1 
       1115 1 54 LEU HB3  1 57 LEU H    . . 5.500 5.499 5.478 5.508 0.008 12 0 "[    .    1    .    2]" 1 
       1116 1 54 LEU HB3  1 77 LEU QD   . . 4.480 4.149 3.827 4.458     .  0 0 "[    .    1    .    2]" 1 
       1117 1 54 LEU MD1  1 55 PHE H    . . 4.140 4.122 4.023 4.144 0.004  6 0 "[    .    1    .    2]" 1 
       1118 1 54 LEU MD1  1 56 SER H    . . 5.500 5.026 4.753 5.187     .  0 0 "[    .    1    .    2]" 1 
       1119 1 54 LEU MD1  1 57 LEU HG   . . 4.590 3.702 3.389 4.074     .  0 0 "[    .    1    .    2]" 1 
       1120 1 54 LEU MD1  1 77 LEU QD   . . 3.640 2.386 1.908 2.869     .  0 0 "[    .    1    .    2]" 1 
       1121 1 54 LEU MD2  1 55 PHE H    . . 4.520 3.807 3.592 4.010     .  0 0 "[    .    1    .    2]" 1 
       1122 1 54 LEU MD2  1 77 LEU QD   . . 3.300 2.259 1.918 2.606     .  0 0 "[    .    1    .    2]" 1 
       1123 1 54 LEU HG   1 55 PHE H    . . 3.480 3.042 2.873 3.157     .  0 0 "[    .    1    .    2]" 1 
       1124 1 54 LEU HG   1 55 PHE HA   . . 4.590 3.184 3.056 3.267     .  0 0 "[    .    1    .    2]" 1 
       1125 1 54 LEU HG   1 56 SER H    . . 5.160 4.919 4.782 5.042     .  0 0 "[    .    1    .    2]" 1 
       1126 1 54 LEU HG   1 77 LEU MD1  . . 3.540 2.909 2.520 3.448     .  0 0 "[    .    1    .    2]" 1 
       1127 1 54 LEU HG   1 77 LEU MD2  . . 3.540 2.671 2.320 2.995     .  0 0 "[    .    1    .    2]" 1 
       1128 1 55 PHE H    1 55 PHE HB2  . . 2.960 2.403 2.270 2.485     .  0 0 "[    .    1    .    2]" 1 
       1129 1 55 PHE H    1 55 PHE HB3  . . 3.660 3.578 3.541 3.597     .  0 0 "[    .    1    .    2]" 1 
       1130 1 55 PHE H    1 55 PHE QD   . . 3.780 3.091 2.957 3.238     .  0 0 "[    .    1    .    2]" 1 
       1131 1 55 PHE H    1 56 SER H    . . 3.200 2.746 2.692 2.855     .  0 0 "[    .    1    .    2]" 1 
       1132 1 55 PHE H    1 57 LEU H    . . 4.500 4.257 4.210 4.389     .  0 0 "[    .    1    .    2]" 1 
       1133 1 55 PHE H    1 57 LEU HB2  . . 5.500 5.454 5.418 5.503 0.003 15 0 "[    .    1    .    2]" 1 
       1134 1 55 PHE H    1 77 LEU QD   . . 5.440 4.173 3.847 4.382     .  0 0 "[    .    1    .    2]" 1 
       1135 1 55 PHE HA   1 55 PHE QD   . . 3.460 2.192 2.014 2.456     .  0 0 "[    .    1    .    2]" 1 
       1136 1 55 PHE HA   1 57 LEU H    . . 4.160 3.766 3.578 4.077     .  0 0 "[    .    1    .    2]" 1 
       1137 1 55 PHE HA   1 77 LEU MD1  . . 4.370 3.505 3.184 3.852     .  0 0 "[    .    1    .    2]" 1 
       1138 1 55 PHE HA   1 77 LEU QD   . . 3.790 2.998 2.587 3.275     .  0 0 "[    .    1    .    2]" 1 
       1139 1 55 PHE HA   1 77 LEU MD2  . . 4.370 3.283 2.673 3.678     .  0 0 "[    .    1    .    2]" 1 
       1140 1 55 PHE HA   1 81 LYS HE2  . . 5.500 4.388 2.153 5.481     .  0 0 "[    .    1    .    2]" 1 
       1141 1 55 PHE HA   1 81 LYS HE3  . . 5.500 4.271 2.592 5.485     .  0 0 "[    .    1    .    2]" 1 
       1142 1 55 PHE HB2  1 56 SER H    . . 3.750 2.969 2.804 3.101     .  0 0 "[    .    1    .    2]" 1 
       1143 1 55 PHE HB3  1 56 SER H    . . 4.030 3.764 3.563 3.940     .  0 0 "[    .    1    .    2]" 1 
       1144 1 55 PHE HB3  1 81 LYS HD2  . . 5.500 3.799 2.001 4.879     .  0 0 "[    .    1    .    2]" 1 
       1145 1 55 PHE HB3  1 81 LYS HD3  . . 5.500 3.569 2.003 5.406     .  0 0 "[    .    1    .    2]" 1 
       1146 1 55 PHE HB3  1 81 LYS HE2  . . 5.480 3.845 2.304 5.138     .  0 0 "[    .    1    .    2]" 1 
       1147 1 55 PHE HB3  1 81 LYS QE   . . 4.720 3.245 1.991 4.363     .  0 0 "[    .    1    .    2]" 1 
       1148 1 55 PHE HB3  1 81 LYS HE3  . . 5.480 3.845 2.018 5.289     .  0 0 "[    .    1    .    2]" 1 
       1149 1 55 PHE QD   1 56 SER H    . . 4.770 4.573 4.450 4.655     .  0 0 "[    .    1    .    2]" 1 
       1150 1 55 PHE QD   1 77 LEU HB3  . . 4.230 3.336 2.837 3.768     .  0 0 "[    .    1    .    2]" 1 
       1151 1 55 PHE QD   1 77 LEU MD1  . . 4.750 3.753 3.487 4.115     .  0 0 "[    .    1    .    2]" 1 
       1152 1 55 PHE QD   1 77 LEU QD   . . 4.020 2.508 2.048 2.885     .  0 0 "[    .    1    .    2]" 1 
       1153 1 55 PHE QD   1 77 LEU MD2  . . 4.750 2.554 2.055 3.005     .  0 0 "[    .    1    .    2]" 1 
       1154 1 55 PHE QD   1 77 LEU HG   . . 5.500 5.279 4.951 5.504 0.004  6 0 "[    .    1    .    2]" 1 
       1155 1 55 PHE QD   1 81 LYS HB2  . . 5.500 4.739 4.355 5.125     .  0 0 "[    .    1    .    2]" 1 
       1156 1 55 PHE QD   1 81 LYS HB3  . . 5.500 4.968 4.571 5.424     .  0 0 "[    .    1    .    2]" 1 
       1157 1 55 PHE QD   1 81 LYS QD   . . 4.560 2.497 1.990 3.672     .  0 0 "[    .    1    .    2]" 1 
       1158 1 55 PHE QD   1 81 LYS HE2  . . 4.970 3.551 1.995 4.628     .  0 0 "[    .    1    .    2]" 1 
       1159 1 55 PHE QD   1 81 LYS QE   . . 4.280 2.930 1.935 3.938     .  0 0 "[    .    1    .    2]" 1 
       1160 1 55 PHE QD   1 81 LYS HE3  . . 4.970 3.423 2.004 4.609     .  0 0 "[    .    1    .    2]" 1 
       1161 1 55 PHE QD   1 81 LYS QG   . . 4.820 2.422 2.132 2.965     .  0 0 "[    .    1    .    2]" 1 
       1162 1 55 PHE QE   1 77 LEU HA   . . 4.690 3.524 2.937 4.032     .  0 0 "[    .    1    .    2]" 1 
       1163 1 55 PHE QE   1 77 LEU HB3  . . 5.030 3.653 2.871 4.346     .  0 0 "[    .    1    .    2]" 1 
       1164 1 55 PHE QE   1 77 LEU QD   . . 4.090 2.192 1.964 2.564     .  0 0 "[    .    1    .    2]" 1 
       1165 1 55 PHE QE   1 80 GLN HB3  . . 4.750 2.792 2.386 3.461     .  0 0 "[    .    1    .    2]" 1 
       1166 1 55 PHE QE   1 81 LYS H    . . 4.550 3.657 3.200 4.394     .  0 0 "[    .    1    .    2]" 1 
       1167 1 55 PHE QE   1 81 LYS HA   . . 5.020 4.178 3.709 4.460     .  0 0 "[    .    1    .    2]" 1 
       1168 1 55 PHE QE   1 81 LYS HB2  . . 5.500 4.774 4.043 5.212     .  0 0 "[    .    1    .    2]" 1 
       1169 1 55 PHE QE   1 81 LYS HB3  . . 5.500 5.315 4.960 5.495     .  0 0 "[    .    1    .    2]" 1 
       1170 1 55 PHE QE   1 81 LYS QG   . . 4.820 2.568 2.092 2.933     .  0 0 "[    .    1    .    2]" 1 
       1171 1 55 PHE QE   1 84 LEU MD1  . . 4.180 2.992 2.325 3.462     .  0 0 "[    .    1    .    2]" 1 
       1172 1 55 PHE HZ   1 80 GLN HB3  . . 4.870 3.572 2.669 4.227     .  0 0 "[    .    1    .    2]" 1 
       1173 1 55 PHE HZ   1 80 GLN QE   . . 4.970 4.476 3.784 4.971 0.001  4 0 "[    .    1    .    2]" 1 
       1174 1 55 PHE HZ   1 80 GLN QG   . . 4.110 2.796 2.237 3.792     .  0 0 "[    .    1    .    2]" 1 
       1175 1 55 PHE HZ   1 84 LEU MD1  . . 3.840 2.763 2.303 3.379     .  0 0 "[    .    1    .    2]" 1 
       1176 1 56 SER H    1 56 SER QB   . . 2.940 2.288 2.170 2.547     .  0 0 "[    .    1    .    2]" 1 
       1177 1 56 SER H    1 57 LEU H    . . 3.020 2.627 2.494 2.742     .  0 0 "[    .    1    .    2]" 1 
       1178 1 56 SER H    1 57 LEU HB2  . . 5.300 4.777 4.573 4.908     .  0 0 "[    .    1    .    2]" 1 
       1179 1 56 SER H    1 57 LEU MD2  . . 5.500 5.287 5.055 5.473     .  0 0 "[    .    1    .    2]" 1 
       1180 1 56 SER H    1 57 LEU HG   . . 4.560 4.379 4.205 4.502     .  0 0 "[    .    1    .    2]" 1 
       1181 1 56 SER QB   1 57 LEU H    . . 3.830 2.993 2.652 3.547     .  0 0 "[    .    1    .    2]" 1 
       1182 1 56 SER QB   1 57 LEU MD2  . . 4.490 3.934 3.397 4.413     .  0 0 "[    .    1    .    2]" 1 
       1183 1 56 SER HB2  1 57 LEU H    . . 4.460 3.649 2.959 4.245     .  0 0 "[    .    1    .    2]" 1 
       1184 1 56 SER HB3  1 57 LEU H    . . 4.460 3.430 2.705 4.046     .  0 0 "[    .    1    .    2]" 1 
       1185 1 57 LEU H    1 57 LEU HB2  . . 2.990 2.381 2.319 2.491     .  0 0 "[    .    1    .    2]" 1 
       1186 1 57 LEU H    1 57 LEU HB3  . . 3.770 3.580 3.562 3.594     .  0 0 "[    .    1    .    2]" 1 
       1187 1 57 LEU H    1 57 LEU MD1  . . 4.050 3.699 3.483 3.860     .  0 0 "[    .    1    .    2]" 1 
       1188 1 57 LEU H    1 57 LEU MD2  . . 3.630 3.542 3.316 3.634 0.004 11 0 "[    .    1    .    2]" 1 
       1189 1 57 LEU H    1 57 LEU HG   . . 2.890 2.510 2.224 2.631     .  0 0 "[    .    1    .    2]" 1 
       1190 1 57 LEU H    1 58 ASN H    . . 4.740 4.505 4.385 4.601     .  0 0 "[    .    1    .    2]" 1 
       1191 1 57 LEU H    1 62 LEU MD1  . . 5.320 5.001 4.665 5.314     .  0 0 "[    .    1    .    2]" 1 
       1192 1 57 LEU H    1 62 LEU HG   . . 5.500 5.109 4.910 5.499     .  0 0 "[    .    1    .    2]" 1 
       1193 1 57 LEU H    1 77 LEU QD   . . 5.310 4.713 4.386 4.948     .  0 0 "[    .    1    .    2]" 1 
       1194 1 57 LEU HA   1 57 LEU MD1  . . 4.370 3.848 3.774 3.896     .  0 0 "[    .    1    .    2]" 1 
       1195 1 57 LEU HA   1 57 LEU MD2  . . 3.020 2.004 1.938 2.105     .  0 0 "[    .    1    .    2]" 1 
       1196 1 57 LEU HA   1 58 ASN H    . . 2.730 2.156 2.140 2.214     .  0 0 "[    .    1    .    2]" 1 
       1197 1 57 LEU HB2  1 57 LEU MD1  . . 3.370 2.280 2.103 2.427     .  0 0 "[    .    1    .    2]" 1 
       1198 1 57 LEU HB2  1 58 ASN H    . . 4.810 4.271 4.103 4.395     .  0 0 "[    .    1    .    2]" 1 
       1199 1 57 LEU HB2  1 62 LEU MD1  . . 4.370 3.497 3.002 3.792     .  0 0 "[    .    1    .    2]" 1 
       1200 1 57 LEU HB2  1 62 LEU MD2  . . 3.730 3.082 2.780 3.442     .  0 0 "[    .    1    .    2]" 1 
       1201 1 57 LEU HB2  1 62 LEU HG   . . 4.020 2.905 2.676 3.309     .  0 0 "[    .    1    .    2]" 1 
       1202 1 57 LEU HB3  1 57 LEU MD1  . . 3.360 2.402 2.281 2.536     .  0 0 "[    .    1    .    2]" 1 
       1203 1 57 LEU HB3  1 57 LEU MD2  . . 3.390 2.339 2.292 2.407     .  0 0 "[    .    1    .    2]" 1 
       1204 1 57 LEU HB3  1 58 ASN H    . . 3.620 3.335 2.966 3.616     .  0 0 "[    .    1    .    2]" 1 
       1205 1 57 LEU HB3  1 61 GLU HB2  . . 4.550 3.044 2.574 3.352     .  0 0 "[    .    1    .    2]" 1 
       1206 1 57 LEU HB3  1 61 GLU HB3  . . 4.710 2.638 2.077 3.000     .  0 0 "[    .    1    .    2]" 1 
       1207 1 57 LEU HB3  1 62 LEU H    . . 3.760 3.245 2.948 3.646     .  0 0 "[    .    1    .    2]" 1 
       1208 1 57 LEU HB3  1 62 LEU MD1  . . 4.640 3.634 3.298 3.898     .  0 0 "[    .    1    .    2]" 1 
       1209 1 57 LEU HB3  1 62 LEU MD2  . . 3.680 3.296 2.981 3.643     .  0 0 "[    .    1    .    2]" 1 
       1210 1 57 LEU HB3  1 62 LEU HG   . . 3.760 2.295 2.000 2.594     .  0 0 "[    .    1    .    2]" 1 
       1211 1 57 LEU MD1  1 62 LEU HG   . . 3.860 3.251 2.944 3.487     .  0 0 "[    .    1    .    2]" 1 
       1212 1 57 LEU MD1  1 65 VAL H    . . 5.500 5.331 4.793 5.499     .  0 0 "[    .    1    .    2]" 1 
       1213 1 57 LEU MD1  1 65 VAL HB   . . 5.090 4.610 4.046 5.090     . 13 0 "[    .    1    .    2]" 1 
       1214 1 57 LEU MD1  1 65 VAL QG   . . 3.890 3.013 2.435 3.540     .  0 0 "[    .    1    .    2]" 1 
       1215 1 57 LEU MD2  1 58 ASN H    . . 3.580 3.324 2.987 3.555     .  0 0 "[    .    1    .    2]" 1 
       1216 1 57 LEU MD2  1 61 GLU H    . . 5.190 4.952 4.678 5.157     .  0 0 "[    .    1    .    2]" 1 
       1217 1 57 LEU MD2  1 61 GLU HA   . . 5.160 4.163 3.675 4.392     .  0 0 "[    .    1    .    2]" 1 
       1218 1 57 LEU MD2  1 61 GLU HB2  . . 4.110 3.087 2.768 3.348     .  0 0 "[    .    1    .    2]" 1 
       1219 1 57 LEU MD2  1 61 GLU HB3  . . 3.230 2.039 1.916 2.160     .  0 0 "[    .    1    .    2]" 1 
       1220 1 57 LEU MD2  1 61 GLU QG   . . 4.310 2.651 2.130 3.084     .  0 0 "[    .    1    .    2]" 1 
       1221 1 57 LEU MD2  1 62 LEU HA   . . 5.500 4.328 3.881 4.675     .  0 0 "[    .    1    .    2]" 1 
       1222 1 57 LEU MD2  1 62 LEU HG   . . 4.370 4.178 3.753 4.373 0.003 11 0 "[    .    1    .    2]" 1 
       1223 1 57 LEU HG   1 58 ASN H    . . 5.300 5.083 4.944 5.256     .  0 0 "[    .    1    .    2]" 1 
       1224 1 58 ASN H    1 58 ASN HB2  . . 3.870 3.580 3.484 3.701     .  0 0 "[    .    1    .    2]" 1 
       1225 1 58 ASN H    1 58 ASN QB   . . 3.300 2.776 2.319 3.004     .  0 0 "[    .    1    .    2]" 1 
       1226 1 58 ASN H    1 58 ASN HB3  . . 3.870 2.917 2.349 3.264     .  0 0 "[    .    1    .    2]" 1 
       1227 1 58 ASN H    1 58 ASN HD21 . . 4.550 3.758 1.797 4.430     .  0 0 "[    .    1    .    2]" 1 
       1228 1 58 ASN H    1 58 ASN HD22 . . 4.730 3.847 2.489 4.348     .  0 0 "[    .    1    .    2]" 1 
       1229 1 58 ASN H    1 59 LYS H    . . 4.580 4.522 4.461 4.583 0.003  1 0 "[    .    1    .    2]" 1 
       1230 1 58 ASN H    1 60 GLU QG   . . 4.750 4.272 3.849 4.717     .  0 0 "[    .    1    .    2]" 1 
       1231 1 58 ASN H    1 61 GLU H    . . 4.340 3.580 3.359 3.795     .  0 0 "[    .    1    .    2]" 1 
       1232 1 58 ASN H    1 61 GLU HA   . . 4.980 4.832 4.687 4.967     .  0 0 "[    .    1    .    2]" 1 
       1233 1 58 ASN H    1 61 GLU HB2  . . 3.330 1.993 1.895 2.142     .  0 0 "[    .    1    .    2]" 1 
       1234 1 58 ASN H    1 61 GLU HB3  . . 3.560 3.201 2.948 3.558     .  0 0 "[    .    1    .    2]" 1 
       1235 1 58 ASN H    1 61 GLU HG2  . . 5.000 3.410 2.547 4.260     .  0 0 "[    .    1    .    2]" 1 
       1236 1 58 ASN H    1 61 GLU QG   . . 4.270 2.579 2.165 3.356     .  0 0 "[    .    1    .    2]" 1 
       1237 1 58 ASN H    1 61 GLU HG3  . . 5.000 2.756 2.244 4.066     .  0 0 "[    .    1    .    2]" 1 
       1238 1 58 ASN H    1 62 LEU H    . . 4.520 3.980 3.778 4.233     .  0 0 "[    .    1    .    2]" 1 
       1239 1 58 ASN H    1 62 LEU HG   . . 4.870 4.559 4.155 4.871 0.001 11 0 "[    .    1    .    2]" 1 
       1240 1 58 ASN HA   1 59 LYS H    . . 3.060 2.534 2.369 2.652     .  0 0 "[    .    1    .    2]" 1 
       1241 1 58 ASN HA   1 60 GLU H    . . 5.280 5.001 4.572 5.225     .  0 0 "[    .    1    .    2]" 1 
       1242 1 58 ASN HA   1 74 TYR QD   . . 4.870 3.707 2.848 4.557     .  0 0 "[    .    1    .    2]" 1 
       1243 1 58 ASN HA   1 74 TYR QE   . . 3.800 2.856 2.005 3.774     .  0 0 "[    .    1    .    2]" 1 
       1244 1 58 ASN QB   1 58 ASN HD22 . . 3.480 3.233 3.213 3.461     .  0 0 "[    .    1    .    2]" 1 
       1245 1 58 ASN QB   1 59 LYS H    . . 2.920 2.199 1.945 2.481     .  0 0 "[    .    1    .    2]" 1 
       1246 1 58 ASN QB   1 60 GLU H    . . 4.400 3.409 2.766 4.032     .  0 0 "[    .    1    .    2]" 1 
       1247 1 58 ASN QB   1 61 GLU H    . . 4.190 3.685 3.336 4.083     .  0 0 "[    .    1    .    2]" 1 
       1248 1 58 ASN QB   1 74 TYR QE   . . 5.340 3.836 2.732 4.864     .  0 0 "[    .    1    .    2]" 1 
       1249 1 58 ASN HB2  1 61 GLU H    . . 4.770 3.898 3.411 4.583     .  0 0 "[    .    1    .    2]" 1 
       1250 1 58 ASN HB3  1 61 GLU H    . . 4.770 4.674 4.326 4.829 0.059 11 0 "[    .    1    .    2]" 1 
       1251 1 58 ASN HD21 1 59 LYS H    . . 5.170 4.601 3.763 5.164     .  0 0 "[    .    1    .    2]" 1 
       1252 1 58 ASN HD22 1 60 GLU H    . . 5.070 4.611 3.878 5.031     .  0 0 "[    .    1    .    2]" 1 
       1253 1 58 ASN HD22 1 60 GLU QB   . . 4.910 4.286 3.628 4.882     .  0 0 "[    .    1    .    2]" 1 
       1254 1 58 ASN HD22 1 60 GLU HG2  . . 5.500 2.649 1.897 3.240     .  0 0 "[    .    1    .    2]" 1 
       1255 1 58 ASN HD22 1 60 GLU HG3  . . 5.500 2.781 1.900 3.398     .  0 0 "[    .    1    .    2]" 1 
       1256 1 58 ASN HD22 1 61 GLU H    . . 5.040 3.528 2.763 4.182     .  0 0 "[    .    1    .    2]" 1 
       1257 1 58 ASN HD22 1 61 GLU QG   . . 4.680 2.603 1.714 3.904     .  0 0 "[    .    1    .    2]" 1 
       1258 1 59 LYS H    1 59 LYS HB2  . . 3.220 2.448 2.189 2.679     .  0 0 "[    .    1    .    2]" 1 
       1259 1 59 LYS H    1 59 LYS HB3  . . 3.220 2.643 2.373 2.951     .  0 0 "[    .    1    .    2]" 1 
       1260 1 59 LYS H    1 59 LYS QG   . . 4.210 3.950 3.795 4.037     .  0 0 "[    .    1    .    2]" 1 
       1261 1 59 LYS H    1 60 GLU H    . . 3.420 3.108 2.900 3.213     .  0 0 "[    .    1    .    2]" 1 
       1262 1 59 LYS H    1 61 GLU H    . . 5.040 4.193 3.810 4.469     .  0 0 "[    .    1    .    2]" 1 
       1263 1 59 LYS H    1 74 TYR QD   . . 4.650 3.571 2.535 4.482     .  0 0 "[    .    1    .    2]" 1 
       1264 1 59 LYS H    1 74 TYR QE   . . 3.860 2.953 2.017 3.851     .  0 0 "[    .    1    .    2]" 1 
       1265 1 59 LYS HA   1 59 LYS HD2  . . 5.500 4.028 2.695 4.597     .  0 0 "[    .    1    .    2]" 1 
       1266 1 59 LYS HA   1 59 LYS QD   . . 4.710 3.679 2.469 4.245     .  0 0 "[    .    1    .    2]" 1 
       1267 1 59 LYS HA   1 59 LYS HD3  . . 5.500 4.329 2.509 5.019     .  0 0 "[    .    1    .    2]" 1 
       1268 1 59 LYS HA   1 59 LYS HG2  . . 4.180 3.298 2.515 3.869     .  0 0 "[    .    1    .    2]" 1 
       1269 1 59 LYS HA   1 59 LYS QG   . . 3.470 2.517 2.282 2.853     .  0 0 "[    .    1    .    2]" 1 
       1270 1 59 LYS HA   1 59 LYS HG3  . . 4.180 2.631 2.374 2.940     .  0 0 "[    .    1    .    2]" 1 
       1271 1 59 LYS HA   1 62 LEU H    . . 3.840 3.771 3.556 3.844 0.004 16 0 "[    .    1    .    2]" 1 
       1272 1 59 LYS HA   1 62 LEU HB2  . . 3.670 2.956 2.785 3.090     .  0 0 "[    .    1    .    2]" 1 
       1273 1 59 LYS HA   1 62 LEU HB3  . . 4.710 4.568 4.324 4.713 0.003 12 0 "[    .    1    .    2]" 1 
       1274 1 59 LYS HA   1 62 LEU MD1  . . 3.530 2.745 2.380 3.076     .  0 0 "[    .    1    .    2]" 1 
       1275 1 59 LYS HA   1 62 LEU MD2  . . 5.500 5.208 4.925 5.436     .  0 0 "[    .    1    .    2]" 1 
       1276 1 59 LYS HA   1 63 LYS H    . . 4.430 4.136 3.880 4.424     .  0 0 "[    .    1    .    2]" 1 
       1277 1 59 LYS HA   1 74 TYR QD   . . 4.070 3.024 2.228 3.674     .  0 0 "[    .    1    .    2]" 1 
       1278 1 59 LYS HA   1 74 TYR QE   . . 4.800 4.058 3.696 4.376     .  0 0 "[    .    1    .    2]" 1 
       1279 1 59 LYS QB   1 59 LYS QD   . . 3.210 2.132 2.039 2.260     .  0 0 "[    .    1    .    2]" 1 
       1280 1 59 LYS QB   1 59 LYS QE   . . 4.070 3.224 2.084 3.661     .  0 0 "[    .    1    .    2]" 1 
       1281 1 59 LYS QB   1 60 GLU H    . . 3.190 2.127 1.961 2.449     .  0 0 "[    .    1    .    2]" 1 
       1282 1 59 LYS QB   1 61 GLU H    . . 5.050 4.477 4.221 4.710     .  0 0 "[    .    1    .    2]" 1 
       1283 1 59 LYS QB   1 74 TYR QD   . . 4.230 3.096 2.712 3.863     .  0 0 "[    .    1    .    2]" 1 
       1284 1 59 LYS QB   1 74 TYR QE   . . 4.180 2.985 2.610 3.436     .  0 0 "[    .    1    .    2]" 1 
       1285 1 59 LYS HB2  1 59 LYS HE2  . . 5.400 4.009 2.119 4.893     .  0 0 "[    .    1    .    2]" 1 
       1286 1 59 LYS HB2  1 59 LYS HE3  . . 5.400 4.105 2.246 4.733     .  0 0 "[    .    1    .    2]" 1 
       1287 1 59 LYS HB2  1 60 GLU H    . . 3.880 3.592 3.296 3.871     .  0 0 "[    .    1    .    2]" 1 
       1288 1 59 LYS HB2  1 74 TYR QE   . . 4.870 3.048 2.639 3.514     .  0 0 "[    .    1    .    2]" 1 
       1289 1 59 LYS HB3  1 59 LYS HE2  . . 5.400 4.417 3.467 5.197     .  0 0 "[    .    1    .    2]" 1 
       1290 1 59 LYS HB3  1 59 LYS HE3  . . 5.400 4.615 3.719 5.401 0.001 17 0 "[    .    1    .    2]" 1 
       1291 1 59 LYS HB3  1 60 GLU H    . . 3.880 2.144 1.976 2.477     .  0 0 "[    .    1    .    2]" 1 
       1292 1 59 LYS HB3  1 74 TYR QE   . . 4.870 4.283 3.878 4.854     .  0 0 "[    .    1    .    2]" 1 
       1293 1 59 LYS QD   1 71 VAL QG   . . 4.690 3.810 2.467 4.691 0.001 10 0 "[    .    1    .    2]" 1 
       1294 1 59 LYS QD   1 74 TYR QB   . . 5.180 3.756 1.947 4.902     .  0 0 "[    .    1    .    2]" 1 
       1295 1 59 LYS QD   1 74 TYR QD   . . 4.240 3.026 2.036 4.215     .  0 0 "[    .    1    .    2]" 1 
       1296 1 59 LYS HD2  1 60 GLU H    . . 5.500 4.841 4.037 5.383     .  0 0 "[    .    1    .    2]" 1 
       1297 1 59 LYS HD2  1 74 TYR QD   . . 4.970 3.388 2.062 4.569     .  0 0 "[    .    1    .    2]" 1 
       1298 1 59 LYS HD2  1 74 TYR QE   . . 5.500 3.694 2.314 5.503 0.003 12 0 "[    .    1    .    2]" 1 
       1299 1 59 LYS HD3  1 60 GLU H    . . 5.500 4.700 3.852 5.311     .  0 0 "[    .    1    .    2]" 1 
       1300 1 59 LYS HD3  1 74 TYR QD   . . 4.970 3.972 2.121 4.946     .  0 0 "[    .    1    .    2]" 1 
       1301 1 59 LYS HD3  1 74 TYR QE   . . 5.500 4.356 2.789 5.494     .  0 0 "[    .    1    .    2]" 1 
       1302 1 59 LYS QE   1 71 VAL QG   . . 3.810 2.799 1.951 3.769     .  0 0 "[    .    1    .    2]" 1 
       1303 1 59 LYS QE   1 74 TYR QB   . . 4.520 3.609 3.103 4.425     .  0 0 "[    .    1    .    2]" 1 
       1304 1 59 LYS QE   1 74 TYR QD   . . 4.470 2.976 1.987 3.830     .  0 0 "[    .    1    .    2]" 1 
       1305 1 59 LYS HE2  1 71 VAL HA   . . 5.500 4.235 3.261 5.346     .  0 0 "[    .    1    .    2]" 1 
       1306 1 59 LYS HE2  1 74 TYR QD   . . 5.110 3.701 1.999 4.630     .  0 0 "[    .    1    .    2]" 1 
       1307 1 59 LYS HE2  1 74 TYR QE   . . 5.500 4.590 2.574 5.503 0.003 16 0 "[    .    1    .    2]" 1 
       1308 1 59 LYS HE3  1 71 VAL HA   . . 5.500 4.001 2.419 5.398     .  0 0 "[    .    1    .    2]" 1 
       1309 1 59 LYS HE3  1 74 TYR QD   . . 5.110 3.507 2.052 4.607     .  0 0 "[    .    1    .    2]" 1 
       1310 1 59 LYS HE3  1 74 TYR QE   . . 5.500 4.494 2.737 5.495     .  0 0 "[    .    1    .    2]" 1 
       1311 1 59 LYS QG   1 60 GLU H    . . 4.040 3.182 2.644 3.728     .  0 0 "[    .    1    .    2]" 1 
       1312 1 59 LYS QG   1 71 VAL HA   . . 4.310 3.559 2.731 4.314 0.004 17 0 "[    .    1    .    2]" 1 
       1313 1 59 LYS QG   1 74 TYR QD   . . 4.220 3.323 2.235 4.223 0.003 12 0 "[    .    1    .    2]" 1 
       1314 1 59 LYS HG2  1 60 GLU H    . . 4.730 3.423 2.685 3.909     .  0 0 "[    .    1    .    2]" 1 
       1315 1 59 LYS HG3  1 60 GLU H    . . 4.730 4.075 3.026 4.704     .  0 0 "[    .    1    .    2]" 1 
       1316 1 60 GLU H    1 60 GLU HB2  . . 3.620 3.566 3.488 3.598     .  0 0 "[    .    1    .    2]" 1 
       1317 1 60 GLU H    1 60 GLU QB   . . 2.950 2.404 2.158 2.604     .  0 0 "[    .    1    .    2]" 1 
       1318 1 60 GLU H    1 60 GLU HB3  . . 3.620 2.447 2.179 2.673     .  0 0 "[    .    1    .    2]" 1 
       1319 1 60 GLU H    1 60 GLU HG2  . . 3.940 2.389 1.895 3.637     .  0 0 "[    .    1    .    2]" 1 
       1320 1 60 GLU H    1 60 GLU QG   . . 3.300 2.309 1.882 2.861     .  0 0 "[    .    1    .    2]" 1 
       1321 1 60 GLU H    1 60 GLU HG3  . . 3.940 3.444 2.929 3.954 0.014 19 0 "[    .    1    .    2]" 1 
       1322 1 60 GLU H    1 61 GLU H    . . 3.070 2.841 2.667 3.047     .  0 0 "[    .    1    .    2]" 1 
       1323 1 60 GLU HA   1 63 LYS H    . . 4.110 3.696 3.280 3.998     .  0 0 "[    .    1    .    2]" 1 
       1324 1 60 GLU HA   1 63 LYS HB2  . . 4.360 2.651 2.192 2.999     .  0 0 "[    .    1    .    2]" 1 
       1325 1 60 GLU HA   1 63 LYS QB   . . 3.520 2.618 2.176 2.948     .  0 0 "[    .    1    .    2]" 1 
       1326 1 60 GLU HA   1 63 LYS HB3  . . 4.360 4.076 3.696 4.366 0.006 20 0 "[    .    1    .    2]" 1 
       1327 1 60 GLU HA   1 63 LYS QD   . . 4.060 3.096 1.993 4.067 0.007 11 0 "[    .    1    .    2]" 1 
       1328 1 60 GLU HA   1 64 LYS H    . . 4.870 4.352 3.921 4.875 0.005 20 0 "[    .    1    .    2]" 1 
       1329 1 60 GLU HB2  1 61 GLU H    . . 4.110 3.725 3.205 4.081     .  0 0 "[    .    1    .    2]" 1 
       1330 1 60 GLU HB3  1 61 GLU H    . . 4.110 3.836 3.565 4.041     .  0 0 "[    .    1    .    2]" 1 
       1331 1 60 GLU QG   1 61 GLU H    . . 3.540 2.012 1.835 2.293     .  0 0 "[    .    1    .    2]" 1 
       1332 1 60 GLU QG   1 61 GLU HA   . . 3.680 3.241 2.805 3.565     .  0 0 "[    .    1    .    2]" 1 
       1333 1 60 GLU QG   1 63 LYS H    . . 5.340 5.122 4.795 5.342 0.002  7 0 "[    .    1    .    2]" 1 
       1334 1 61 GLU H    1 61 GLU HB2  . . 3.120 2.228 2.178 2.330     .  0 0 "[    .    1    .    2]" 1 
       1335 1 61 GLU H    1 61 GLU HB3  . . 3.580 3.517 3.484 3.563     .  0 0 "[    .    1    .    2]" 1 
       1336 1 61 GLU H    1 61 GLU QG   . . 3.300 2.795 2.544 3.313 0.013  5 0 "[    .    1    .    2]" 1 
       1337 1 61 GLU H    1 62 LEU H    . . 3.190 2.852 2.626 3.000     .  0 0 "[    .    1    .    2]" 1 
       1338 1 61 GLU H    1 62 LEU HG   . . 5.500 5.146 4.954 5.485     .  0 0 "[    .    1    .    2]" 1 
       1339 1 61 GLU H    1 63 LYS H    . . 4.270 4.032 3.808 4.266     .  0 0 "[    .    1    .    2]" 1 
       1340 1 61 GLU HA   1 64 LYS QB   . . 3.310 2.640 2.305 3.283     .  0 0 "[    .    1    .    2]" 1 
       1341 1 61 GLU HA   1 64 LYS QD   . . 3.840 3.174 2.074 3.845 0.005 18 0 "[    .    1    .    2]" 1 
       1342 1 61 GLU HB2  1 62 LEU H    . . 3.530 2.487 2.325 2.687     .  0 0 "[    .    1    .    2]" 1 
       1343 1 61 GLU HB3  1 62 LEU H    . . 3.100 2.944 2.745 3.109 0.009  4 0 "[    .    1    .    2]" 1 
       1344 1 61 GLU HB3  1 62 LEU HA   . . 4.210 3.949 3.876 4.014     .  0 0 "[    .    1    .    2]" 1 
       1345 1 62 LEU H    1 62 LEU HB2  . . 2.930 2.359 2.244 2.495     .  0 0 "[    .    1    .    2]" 1 
       1346 1 62 LEU H    1 62 LEU HB3  . . 3.590 3.566 3.529 3.606 0.016 11 0 "[    .    1    .    2]" 1 
       1347 1 62 LEU H    1 62 LEU MD1  . . 3.720 3.279 3.140 3.557     .  0 0 "[    .    1    .    2]" 1 
       1348 1 62 LEU H    1 62 LEU MD2  . . 4.000 3.860 3.681 3.988     .  0 0 "[    .    1    .    2]" 1 
       1349 1 62 LEU H    1 62 LEU HG   . . 3.230 2.555 2.359 2.799     .  0 0 "[    .    1    .    2]" 1 
       1350 1 62 LEU H    1 63 LYS H    . . 3.230 2.793 2.566 2.973     .  0 0 "[    .    1    .    2]" 1 
       1351 1 62 LEU HA   1 62 LEU MD1  . . 4.280 3.855 3.817 3.879     .  0 0 "[    .    1    .    2]" 1 
       1352 1 62 LEU HA   1 62 LEU MD2  . . 3.000 2.308 2.011 2.425     .  0 0 "[    .    1    .    2]" 1 
       1353 1 62 LEU HA   1 62 LEU HG   . . 3.590 2.676 2.566 2.796     .  0 0 "[    .    1    .    2]" 1 
       1354 1 62 LEU HA   1 65 VAL H    . . 3.860 3.663 3.388 3.868 0.008  4 0 "[    .    1    .    2]" 1 
       1355 1 62 LEU HA   1 65 VAL HB   . . 5.070 4.224 3.475 4.667     .  0 0 "[    .    1    .    2]" 1 
       1356 1 62 LEU HA   1 65 VAL QG   . . 3.760 2.714 1.834 3.672     .  0 0 "[    .    1    .    2]" 1 
       1357 1 62 LEU HA   1 66 CYS H    . . 4.040 3.677 3.286 3.983     .  0 0 "[    .    1    .    2]" 1 
       1358 1 62 LEU HB2  1 62 LEU MD1  . . 3.200 2.109 1.996 2.221     .  0 0 "[    .    1    .    2]" 1 
       1359 1 62 LEU HB2  1 63 LYS H    . . 4.160 2.734 2.437 2.947     .  0 0 "[    .    1    .    2]" 1 
       1360 1 62 LEU HB2  1 74 TYR H    . . 4.690 4.511 4.190 4.694 0.004 17 0 "[    .    1    .    2]" 1 
       1361 1 62 LEU HB2  1 74 TYR QD   . . 5.050 4.146 3.708 4.459     .  0 0 "[    .    1    .    2]" 1 
       1362 1 62 LEU HB3  1 62 LEU MD1  . . 3.510 2.618 2.516 2.674     .  0 0 "[    .    1    .    2]" 1 
       1363 1 62 LEU HB3  1 62 LEU MD2  . . 3.330 2.217 2.147 2.328     .  0 0 "[    .    1    .    2]" 1 
       1364 1 62 LEU HB3  1 63 LYS H    . . 3.710 3.501 3.266 3.714 0.004 20 0 "[    .    1    .    2]" 1 
       1365 1 62 LEU HB3  1 70 GLY H    . . 5.500 5.178 4.593 5.503 0.003  9 0 "[    .    1    .    2]" 1 
       1366 1 62 LEU HB3  1 70 GLY HA2  . . 4.470 2.987 2.331 3.326     .  0 0 "[    .    1    .    2]" 1 
       1367 1 62 LEU HB3  1 70 GLY HA3  . . 4.310 3.150 2.732 3.393     .  0 0 "[    .    1    .    2]" 1 
       1368 1 62 LEU HB3  1 74 TYR QD   . . 5.500 5.146 4.769 5.476     .  0 0 "[    .    1    .    2]" 1 
       1369 1 62 LEU MD1  1 63 LYS H    . . 4.680 4.418 4.140 4.672     .  0 0 "[    .    1    .    2]" 1 
       1370 1 62 LEU MD1  1 70 GLY HA2  . . 5.050 4.368 3.739 4.660     .  0 0 "[    .    1    .    2]" 1 
       1371 1 62 LEU MD1  1 73 VAL HA   . . 5.500 4.953 4.632 5.427     .  0 0 "[    .    1    .    2]" 1 
       1372 1 62 LEU MD1  1 73 VAL HB   . . 3.910 3.208 2.652 3.876     .  0 0 "[    .    1    .    2]" 1 
       1373 1 62 LEU MD1  1 73 VAL MG1  . . 3.650 2.702 2.195 3.125     .  0 0 "[    .    1    .    2]" 1 
       1374 1 62 LEU MD1  1 73 VAL MG2  . . 5.160 4.405 3.987 4.956     .  0 0 "[    .    1    .    2]" 1 
       1375 1 62 LEU MD1  1 74 TYR H    . . 3.620 3.119 2.777 3.604     .  0 0 "[    .    1    .    2]" 1 
       1376 1 62 LEU MD1  1 74 TYR HA   . . 3.560 2.346 1.938 2.569     .  0 0 "[    .    1    .    2]" 1 
       1377 1 62 LEU MD1  1 74 TYR HB2  . . 3.940 2.117 1.802 2.398     .  0 0 "[    .    1    .    2]" 1 
       1378 1 62 LEU MD1  1 74 TYR QB   . . 3.250 2.101 1.792 2.374     .  0 0 "[    .    1    .    2]" 1 
       1379 1 62 LEU MD1  1 74 TYR HB3  . . 3.940 3.570 3.190 3.811     .  0 0 "[    .    1    .    2]" 1 
       1380 1 62 LEU MD1  1 74 TYR QD   . . 3.210 2.081 1.842 2.495     .  0 0 "[    .    1    .    2]" 1 
       1381 1 62 LEU MD1  1 74 TYR QE   . . 4.250 3.826 3.490 4.251 0.001  5 0 "[    .    1    .    2]" 1 
       1382 1 62 LEU MD1  1 75 SER H    . . 5.070 4.835 4.495 5.066     .  0 0 "[    .    1    .    2]" 1 
       1383 1 62 LEU MD1  1 77 LEU QD   . . 3.610 1.880 1.688 2.003     .  0 0 "[    .    1    .    2]" 1 
       1384 1 62 LEU MD2  1 63 LYS H    . . 5.120 4.814 4.691 4.924     .  0 0 "[    .    1    .    2]" 1 
       1385 1 62 LEU MD2  1 65 VAL H    . . 5.500 5.282 4.992 5.470     .  0 0 "[    .    1    .    2]" 1 
       1386 1 62 LEU MD2  1 65 VAL HB   . . 5.500 4.880 4.140 5.502 0.002  6 0 "[    .    1    .    2]" 1 
       1387 1 62 LEU MD2  1 65 VAL QG   . . 4.460 3.714 2.624 4.462 0.002  3 0 "[    .    1    .    2]" 1 
       1388 1 62 LEU MD2  1 66 CYS H    . . 4.920 4.555 4.167 4.922 0.002 11 0 "[    .    1    .    2]" 1 
       1389 1 62 LEU MD2  1 66 CYS QB   . . 4.750 4.121 3.648 4.484     .  0 0 "[    .    1    .    2]" 1 
       1390 1 62 LEU MD2  1 70 GLY HA2  . . 4.340 3.763 3.253 4.154     .  0 0 "[    .    1    .    2]" 1 
       1391 1 62 LEU MD2  1 70 GLY HA3  . . 5.500 4.511 4.251 4.759     .  0 0 "[    .    1    .    2]" 1 
       1392 1 62 LEU MD2  1 73 VAL H    . . 5.500 5.281 5.051 5.495     .  0 0 "[    .    1    .    2]" 1 
       1393 1 62 LEU MD2  1 73 VAL HB   . . 3.700 2.950 2.640 3.215     .  0 0 "[    .    1    .    2]" 1 
       1394 1 62 LEU MD2  1 73 VAL MG1  . . 3.250 2.070 1.935 2.328     .  0 0 "[    .    1    .    2]" 1 
       1395 1 62 LEU MD2  1 73 VAL MG2  . . 4.140 3.578 3.249 3.970     .  0 0 "[    .    1    .    2]" 1 
       1396 1 62 LEU MD2  1 74 TYR H    . . 4.460 4.318 3.801 4.461 0.001  3 0 "[    .    1    .    2]" 1 
       1397 1 62 LEU MD2  1 74 TYR QB   . . 5.340 4.205 3.788 4.450     .  0 0 "[    .    1    .    2]" 1 
       1398 1 62 LEU HG   1 73 VAL MG1  . . 4.810 4.557 4.267 4.812 0.002 10 0 "[    .    1    .    2]" 1 
       1399 1 63 LYS H    1 63 LYS HB2  . . 3.550 2.214 2.174 2.305     .  0 0 "[    .    1    .    2]" 1 
       1400 1 63 LYS H    1 63 LYS QB   . . 2.860 2.191 2.153 2.278     .  0 0 "[    .    1    .    2]" 1 
       1401 1 63 LYS H    1 63 LYS HB3  . . 3.550 3.508 3.478 3.553 0.003  8 0 "[    .    1    .    2]" 1 
       1402 1 63 LYS H    1 63 LYS HD2  . . 5.500 4.696 4.301 5.227     .  0 0 "[    .    1    .    2]" 1 
       1403 1 63 LYS H    1 63 LYS HD3  . . 5.500 4.167 3.454 5.412     .  0 0 "[    .    1    .    2]" 1 
       1404 1 63 LYS H    1 63 LYS QE   . . 5.340 4.702 3.742 5.341 0.001 20 0 "[    .    1    .    2]" 1 
       1405 1 63 LYS H    1 63 LYS HG2  . . 4.200 4.014 3.681 4.199     .  0 0 "[    .    1    .    2]" 1 
       1406 1 63 LYS H    1 63 LYS QG   . . 3.610 2.833 2.525 3.010     .  0 0 "[    .    1    .    2]" 1 
       1407 1 63 LYS H    1 63 LYS HG3  . . 4.200 2.898 2.564 3.131     .  0 0 "[    .    1    .    2]" 1 
       1408 1 63 LYS H    1 64 LYS H    . . 3.100 2.567 2.392 2.859     .  0 0 "[    .    1    .    2]" 1 
       1409 1 63 LYS H    1 64 LYS QB   . . 4.560 4.336 4.152 4.511     .  0 0 "[    .    1    .    2]" 1 
       1410 1 63 LYS H    1 66 CYS QB   . . 5.340 4.788 4.316 5.205     .  0 0 "[    .    1    .    2]" 1 
       1411 1 63 LYS H    1 70 GLY HA3  . . 4.770 3.978 3.616 4.278     .  0 0 "[    .    1    .    2]" 1 
       1412 1 63 LYS HA   1 63 LYS HG2  . . 4.110 2.546 2.220 2.784     .  0 0 "[    .    1    .    2]" 1 
       1413 1 63 LYS HA   1 63 LYS QG   . . 3.550 2.280 2.167 2.345     .  0 0 "[    .    1    .    2]" 1 
       1414 1 63 LYS HA   1 63 LYS HG3  . . 4.110 2.682 2.428 3.085     .  0 0 "[    .    1    .    2]" 1 
       1415 1 63 LYS HA   1 65 VAL H    . . 4.730 4.261 3.894 4.738 0.008 10 0 "[    .    1    .    2]" 1 
       1416 1 63 LYS HA   1 66 CYS H    . . 4.110 3.776 3.539 4.115 0.005 18 0 "[    .    1    .    2]" 1 
       1417 1 63 LYS HA   1 66 CYS QB   . . 4.200 3.054 2.637 3.548     .  0 0 "[    .    1    .    2]" 1 
       1418 1 63 LYS HA   1 70 GLY H    . . 4.000 3.728 3.249 4.004 0.004 11 0 "[    .    1    .    2]" 1 
       1419 1 63 LYS HA   1 70 GLY HA2  . . 4.470 4.103 3.707 4.472 0.002 20 0 "[    .    1    .    2]" 1 
       1420 1 63 LYS HA   1 70 GLY HA3  . . 4.070 2.410 2.065 2.787     .  0 0 "[    .    1    .    2]" 1 
       1421 1 63 LYS HA   1 71 VAL H    . . 4.180 3.953 3.233 4.183 0.003  5 0 "[    .    1    .    2]" 1 
       1422 1 63 LYS HA   1 71 VAL QG   . . 4.630 4.060 3.614 4.334     .  0 0 "[    .    1    .    2]" 1 
       1423 1 63 LYS QB   1 63 LYS QE   . . 3.500 2.471 2.108 3.421     .  0 0 "[    .    1    .    2]" 1 
       1424 1 63 LYS QB   1 64 LYS H    . . 3.230 2.830 2.306 3.050     .  0 0 "[    .    1    .    2]" 1 
       1425 1 63 LYS QB   1 65 VAL H    . . 5.340 4.785 4.386 5.052     .  0 0 "[    .    1    .    2]" 1 
       1426 1 63 LYS QB   1 71 VAL QG   . . 4.630 3.713 3.516 3.915     .  0 0 "[    .    1    .    2]" 1 
       1427 1 63 LYS HB2  1 63 LYS HE2  . . 4.730 3.496 2.686 4.443     .  0 0 "[    .    1    .    2]" 1 
       1428 1 63 LYS HB2  1 63 LYS HE3  . . 4.730 3.718 2.419 4.724     .  0 0 "[    .    1    .    2]" 1 
       1429 1 63 LYS HB2  1 64 LYS H    . . 3.710 2.981 2.460 3.242     .  0 0 "[    .    1    .    2]" 1 
       1430 1 63 LYS HB3  1 63 LYS HE2  . . 4.730 3.180 2.335 4.487     .  0 0 "[    .    1    .    2]" 1 
       1431 1 63 LYS HB3  1 63 LYS HE3  . . 4.730 3.435 2.177 4.554     .  0 0 "[    .    1    .    2]" 1 
       1432 1 63 LYS HB3  1 64 LYS H    . . 3.710 3.530 2.787 3.713 0.003 17 0 "[    .    1    .    2]" 1 
       1433 1 63 LYS QD   1 71 VAL QG   . . 3.420 2.073 1.790 2.666     .  0 0 "[    .    1    .    2]" 1 
       1434 1 63 LYS QE   1 71 VAL QG   . . 3.440 2.409 1.872 3.436     .  0 0 "[    .    1    .    2]" 1 
       1435 1 63 LYS QG   1 64 LYS H    . . 4.900 4.410 4.195 4.498     .  0 0 "[    .    1    .    2]" 1 
       1436 1 63 LYS QG   1 66 CYS QB   . . 5.180 4.319 3.843 4.950     .  0 0 "[    .    1    .    2]" 1 
       1437 1 63 LYS QG   1 71 VAL QG   . . 3.710 2.071 1.907 2.325     .  0 0 "[    .    1    .    2]" 1 
       1438 1 64 LYS H    1 64 LYS QB   . . 2.810 2.214 2.126 2.385     .  0 0 "[    .    1    .    2]" 1 
       1439 1 64 LYS H    1 64 LYS HG2  . . 4.700 4.183 3.275 4.622     .  0 0 "[    .    1    .    2]" 1 
       1440 1 64 LYS H    1 64 LYS QG   . . 3.990 3.452 2.294 4.038 0.048 11 0 "[    .    1    .    2]" 1 
       1441 1 64 LYS H    1 64 LYS HG3  . . 4.700 3.740 2.322 4.629     .  0 0 "[    .    1    .    2]" 1 
       1442 1 64 LYS H    1 65 VAL H    . . 3.330 2.675 2.419 2.951     .  0 0 "[    .    1    .    2]" 1 
       1443 1 64 LYS H    1 66 CYS H    . . 4.870 4.315 3.768 4.542     .  0 0 "[    .    1    .    2]" 1 
       1444 1 64 LYS HA   1 64 LYS HE2  . . 5.080 4.439 2.000 5.060     .  0 0 "[    .    1    .    2]" 1 
       1445 1 64 LYS HA   1 64 LYS QE   . . 4.320 3.970 1.992 4.329 0.009 18 0 "[    .    1    .    2]" 1 
       1446 1 64 LYS HA   1 64 LYS HE3  . . 5.080 4.616 3.723 5.058     .  0 0 "[    .    1    .    2]" 1 
       1447 1 64 LYS HA   1 64 LYS HG2  . . 3.920 2.816 2.254 3.628     .  0 0 "[    .    1    .    2]" 1 
       1448 1 64 LYS HA   1 64 LYS HG3  . . 3.920 2.719 2.194 3.627     .  0 0 "[    .    1    .    2]" 1 
       1449 1 64 LYS QB   1 64 LYS QD   . . 3.320 2.208 1.994 2.344     .  0 0 "[    .    1    .    2]" 1 
       1450 1 64 LYS QB   1 65 VAL H    . . 3.160 2.635 2.319 3.005     .  0 0 "[    .    1    .    2]" 1 
       1451 1 64 LYS QB   1 65 VAL QG   . . 3.970 2.889 2.372 3.684     .  0 0 "[    .    1    .    2]" 1 
       1452 1 64 LYS QD   1 65 VAL H    . . 5.340 4.682 3.111 5.340 0.000 16 0 "[    .    1    .    2]" 1 
       1453 1 64 LYS QD   1 65 VAL QG   . . 4.850 4.239 2.314 4.877 0.027  4 0 "[    .    1    .    2]" 1 
       1454 1 64 LYS QG   1 65 VAL H    . . 4.510 4.159 3.556 4.503     .  0 0 "[    .    1    .    2]" 1 
       1455 1 64 LYS HG2  1 65 VAL H    . . 5.230 4.619 3.669 5.154     .  0 0 "[    .    1    .    2]" 1 
       1456 1 64 LYS HG3  1 65 VAL H    . . 5.230 4.847 4.421 5.230 0.000  1 0 "[    .    1    .    2]" 1 
       1457 1 65 VAL H    1 65 VAL HB   . . 3.150 2.892 2.633 2.959     .  0 0 "[    .    1    .    2]" 1 
       1458 1 65 VAL H    1 65 VAL MG1  . . 3.910 3.301 1.829 3.839     .  0 0 "[    .    1    .    2]" 1 
       1459 1 65 VAL H    1 65 VAL QG   . . 3.000 1.987 1.825 2.155     .  0 0 "[    .    1    .    2]" 1 
       1460 1 65 VAL H    1 65 VAL MG2  . . 3.910 2.469 1.884 3.790     .  0 0 "[    .    1    .    2]" 1 
       1461 1 65 VAL H    1 66 CYS H    . . 3.100 2.457 2.297 2.846     .  0 0 "[    .    1    .    2]" 1 
       1462 1 65 VAL H    1 66 CYS QB   . . 5.150 4.514 4.292 5.020     .  0 0 "[    .    1    .    2]" 1 
       1463 1 65 VAL H    1 67 GLY H    . . 4.270 3.849 3.404 4.276 0.006 11 0 "[    .    1    .    2]" 1 
       1464 1 65 VAL HA   1 65 VAL MG1  . . 3.370 2.436 2.103 3.202     .  0 0 "[    .    1    .    2]" 1 
       1465 1 65 VAL HA   1 65 VAL MG2  . . 3.370 2.598 2.308 2.689     .  0 0 "[    .    1    .    2]" 1 
       1466 1 65 VAL HB   1 66 CYS H    . . 3.940 2.701 2.306 4.047 0.107 10 0 "[    .    1    .    2]" 1 
       1467 1 65 VAL HB   1 67 GLY H    . . 5.500 5.073 4.597 5.501 0.001  6 0 "[    .    1    .    2]" 1 
       1468 1 65 VAL QG   1 66 CYS H    . . 3.780 2.671 1.748 2.976     .  0 0 "[    .    1    .    2]" 1 
       1469 1 65 VAL QG   1 66 CYS HA   . . 4.280 3.821 3.099 4.074     .  0 0 "[    .    1    .    2]" 1 
       1470 1 65 VAL MG1  1 66 CYS H    . . 4.380 3.275 1.754 3.779     .  0 0 "[    .    1    .    2]" 1 
       1471 1 65 VAL MG1  1 66 CYS HA   . . 5.030 4.079 3.434 4.270     .  0 0 "[    .    1    .    2]" 1 
       1472 1 65 VAL MG2  1 66 CYS H    . . 4.380 3.152 3.045 3.444     .  0 0 "[    .    1    .    2]" 1 
       1473 1 65 VAL MG2  1 66 CYS HA   . . 5.030 4.705 3.378 5.147 0.117 11 0 "[    .    1    .    2]" 1 
       1474 1 66 CYS H    1 66 CYS HB2  . . 3.750 2.708 2.513 2.873     .  0 0 "[    .    1    .    2]" 1 
       1475 1 66 CYS H    1 66 CYS QB   . . 3.220 2.545 2.247 2.740     .  0 0 "[    .    1    .    2]" 1 
       1476 1 66 CYS H    1 66 CYS HB3  . . 3.750 3.355 2.350 3.672     .  0 0 "[    .    1    .    2]" 1 
       1477 1 66 CYS H    1 67 GLY H    . . 3.170 2.767 2.344 2.997     .  0 0 "[    .    1    .    2]" 1 
       1478 1 66 CYS H    1 70 GLY H    . . 4.930 4.777 4.307 4.937 0.007  7 0 "[    .    1    .    2]" 1 
       1479 1 66 CYS H    1 70 GLY HA3  . . 4.980 4.199 3.753 4.556     .  0 0 "[    .    1    .    2]" 1 
       1480 1 66 CYS QB   1 67 GLY H    . . 4.120 2.672 2.093 3.827     .  0 0 "[    .    1    .    2]" 1 
       1481 1 66 CYS QB   1 69 GLU QB   . . 4.430 2.791 2.285 3.745     .  0 0 "[    .    1    .    2]" 1 
       1482 1 66 CYS QB   1 71 VAL H    . . 4.820 4.326 4.062 4.756     .  0 0 "[    .    1    .    2]" 1 
       1483 1 66 CYS QB   1 73 VAL MG2  . . 4.640 3.236 2.757 3.709     .  0 0 "[    .    1    .    2]" 1 
       1484 1 66 CYS HB2  1 70 GLY H    . . 3.810 2.588 2.059 3.818 0.008 16 0 "[    .    1    .    2]" 1 
       1485 1 66 CYS HB2  1 70 GLY HA2  . . 3.890 2.737 2.166 3.755     .  0 0 "[    .    1    .    2]" 1 
       1486 1 66 CYS HB2  1 70 GLY HA3  . . 3.910 2.458 1.999 3.922 0.012 11 0 "[    .    1    .    2]" 1 
       1487 1 66 CYS HB3  1 70 GLY H    . . 3.810 2.505 2.109 3.103     .  0 0 "[    .    1    .    2]" 1 
       1488 1 66 CYS HB3  1 70 GLY HA2  . . 3.890 2.981 2.708 3.212     .  0 0 "[    .    1    .    2]" 1 
       1489 1 66 CYS HB3  1 70 GLY HA3  . . 3.910 3.199 2.388 3.800     .  0 0 "[    .    1    .    2]" 1 
       1490 1 68 GLU HA   1 70 GLY H    . . 4.520 4.286 3.927 4.520     .  0 0 "[    .    1    .    2]" 1 
       1491 1 68 GLU HA   1 71 VAL H    . . 4.440 3.951 3.724 4.128     .  0 0 "[    .    1    .    2]" 1 
       1492 1 68 GLU HA   1 71 VAL QG   . . 3.840 3.030 2.680 3.383     .  0 0 "[    .    1    .    2]" 1 
       1493 1 68 GLU QB   1 71 VAL QG   . . 4.540 4.263 3.418 4.541 0.001 16 0 "[    .    1    .    2]" 1 
       1494 1 68 GLU QG   1 71 VAL QG   . . 4.850 4.084 3.102 4.851 0.001 11 0 "[    .    1    .    2]" 1 
       1495 1 69 GLU H    1 70 GLY H    . . 4.210 2.739 2.602 2.905     .  0 0 "[    .    1    .    2]" 1 
       1496 1 69 GLU HA   1 69 GLU HG2  . . 3.980 3.520 2.175 3.790     .  0 0 "[    .    1    .    2]" 1 
       1497 1 69 GLU HA   1 69 GLU QG   . . 3.300 2.647 2.154 3.041     .  0 0 "[    .    1    .    2]" 1 
       1498 1 69 GLU HA   1 69 GLU HG3  . . 3.980 2.838 2.219 3.626     .  0 0 "[    .    1    .    2]" 1 
       1499 1 69 GLU HA   1 71 VAL H    . . 4.770 4.064 3.668 4.533     .  0 0 "[    .    1    .    2]" 1 
       1500 1 69 GLU HA   1 71 VAL QG   . . 5.090 4.575 4.410 4.800     .  0 0 "[    .    1    .    2]" 1 
       1501 1 69 GLU HA   1 72 ARG H    . . 3.620 3.423 3.199 3.606     .  0 0 "[    .    1    .    2]" 1 
       1502 1 69 GLU HA   1 73 VAL H    . . 4.730 4.461 3.991 4.735 0.005 12 0 "[    .    1    .    2]" 1 
       1503 1 69 GLU QB   1 70 GLY H    . . 3.750 2.639 2.482 2.769     .  0 0 "[    .    1    .    2]" 1 
       1504 1 69 GLU HB2  1 70 GLY H    . . 4.340 3.551 2.825 3.963     .  0 0 "[    .    1    .    2]" 1 
       1505 1 69 GLU HB3  1 70 GLY H    . . 4.340 2.794 2.533 3.459     .  0 0 "[    .    1    .    2]" 1 
       1506 1 69 GLU QG   1 72 ARG H    . . 4.980 4.475 3.998 4.945     .  0 0 "[    .    1    .    2]" 1 
       1507 1 69 GLU QG   1 73 VAL MG2  . . 3.950 2.797 2.005 3.897     .  0 0 "[    .    1    .    2]" 1 
       1508 1 69 GLU HG2  1 73 VAL MG2  . . 4.810 3.765 3.270 4.742     .  0 0 "[    .    1    .    2]" 1 
       1509 1 69 GLU HG3  1 73 VAL MG2  . . 4.810 2.957 2.022 4.550     .  0 0 "[    .    1    .    2]" 1 
       1510 1 70 GLY H    1 71 VAL H    . . 3.340 3.012 2.901 3.118     .  0 0 "[    .    1    .    2]" 1 
       1511 1 70 GLY H    1 71 VAL QG   . . 4.610 4.257 4.032 4.448     .  0 0 "[    .    1    .    2]" 1 
       1512 1 70 GLY H    1 72 ARG H    . . 4.580 4.514 4.393 4.586 0.006  9 0 "[    .    1    .    2]" 1 
       1513 1 70 GLY H    1 73 VAL H    . . 4.980 4.768 4.585 4.972     .  0 0 "[    .    1    .    2]" 1 
       1514 1 70 GLY H    1 73 VAL MG2  . . 4.730 3.778 3.619 4.041     .  0 0 "[    .    1    .    2]" 1 
       1515 1 70 GLY HA2  1 72 ARG H    . . 4.460 4.310 4.100 4.462 0.002 11 0 "[    .    1    .    2]" 1 
       1516 1 70 GLY HA2  1 73 VAL H    . . 4.870 3.322 3.107 3.555     .  0 0 "[    .    1    .    2]" 1 
       1517 1 70 GLY HA2  1 73 VAL HB   . . 3.810 2.481 2.080 2.834     .  0 0 "[    .    1    .    2]" 1 
       1518 1 70 GLY HA2  1 73 VAL MG1  . . 5.500 3.824 3.575 4.051     .  0 0 "[    .    1    .    2]" 1 
       1519 1 70 GLY HA2  1 73 VAL MG2  . . 3.480 2.378 2.001 2.965     .  0 0 "[    .    1    .    2]" 1 
       1520 1 70 GLY HA2  1 74 TYR H    . . 4.460 3.900 3.663 4.100     .  0 0 "[    .    1    .    2]" 1 
       1521 1 70 GLY HA3  1 73 VAL H    . . 4.940 4.584 4.356 4.800     .  0 0 "[    .    1    .    2]" 1 
       1522 1 70 GLY HA3  1 73 VAL HB   . . 4.250 4.015 3.722 4.251 0.001 16 0 "[    .    1    .    2]" 1 
       1523 1 70 GLY HA3  1 73 VAL MG1  . . 5.500 5.132 4.896 5.309     .  0 0 "[    .    1    .    2]" 1 
       1524 1 70 GLY HA3  1 73 VAL MG2  . . 4.310 3.880 3.593 4.295     .  0 0 "[    .    1    .    2]" 1 
       1525 1 70 GLY HA3  1 74 TYR H    . . 4.910 4.768 4.562 4.919 0.009 11 0 "[    .    1    .    2]" 1 
       1526 1 71 VAL H    1 71 VAL HB   . . 3.010 2.626 2.420 2.787     .  0 0 "[    .    1    .    2]" 1 
       1527 1 71 VAL H    1 71 VAL MG1  . . 3.980 3.764 3.742 3.780     .  0 0 "[    .    1    .    2]" 1 
       1528 1 71 VAL H    1 71 VAL QG   . . 2.860 2.052 1.870 2.261     .  0 0 "[    .    1    .    2]" 1 
       1529 1 71 VAL H    1 71 VAL MG2  . . 3.980 2.062 1.875 2.279     .  0 0 "[    .    1    .    2]" 1 
       1530 1 71 VAL H    1 72 ARG H    . . 3.090 2.857 2.690 3.000     .  0 0 "[    .    1    .    2]" 1 
       1531 1 71 VAL HA   1 71 VAL MG1  . . 3.300 2.376 2.238 2.463     .  0 0 "[    .    1    .    2]" 1 
       1532 1 71 VAL HA   1 71 VAL QG   . . 2.880 2.111 2.045 2.179     .  0 0 "[    .    1    .    2]" 1 
       1533 1 71 VAL HA   1 71 VAL MG2  . . 3.300 2.367 2.272 2.468     .  0 0 "[    .    1    .    2]" 1 
       1534 1 71 VAL HA   1 73 VAL H    . . 4.820 4.739 4.483 4.821 0.001 15 0 "[    .    1    .    2]" 1 
       1535 1 71 VAL HA   1 74 TYR H    . . 4.090 3.971 3.845 4.065     .  0 0 "[    .    1    .    2]" 1 
       1536 1 71 VAL HA   1 74 TYR HB2  . . 4.250 4.173 3.967 4.255 0.005 16 0 "[    .    1    .    2]" 1 
       1537 1 71 VAL HA   1 74 TYR QB   . . 3.420 3.306 3.152 3.422 0.002 15 0 "[    .    1    .    2]" 1 
       1538 1 71 VAL HA   1 74 TYR HB3  . . 4.250 3.468 3.269 3.620     .  0 0 "[    .    1    .    2]" 1 
       1539 1 71 VAL HA   1 74 TYR QD   . . 4.990 4.726 4.396 4.941     .  0 0 "[    .    1    .    2]" 1 
       1540 1 71 VAL HA   1 75 SER H    . . 4.910 4.701 4.384 4.908     .  0 0 "[    .    1    .    2]" 1 
       1541 1 71 VAL HB   1 72 ARG H    . . 3.220 2.550 2.465 2.653     .  0 0 "[    .    1    .    2]" 1 
       1542 1 71 VAL QG   1 72 ARG H    . . 3.450 3.186 3.046 3.280     .  0 0 "[    .    1    .    2]" 1 
       1543 1 71 VAL QG   1 72 ARG HA   . . 4.850 3.445 3.214 3.699     .  0 0 "[    .    1    .    2]" 1 
       1544 1 71 VAL QG   1 74 TYR QB   . . 4.450 3.956 3.780 4.090     .  0 0 "[    .    1    .    2]" 1 
       1545 1 71 VAL QG   1 75 SER H    . . 5.140 4.481 4.205 4.800     .  0 0 "[    .    1    .    2]" 1 
       1546 1 71 VAL MG1  1 72 ARG H    . . 4.050 3.431 3.175 3.620     .  0 0 "[    .    1    .    2]" 1 
       1547 1 71 VAL MG1  1 73 VAL H    . . 5.500 5.165 4.879 5.341     .  0 0 "[    .    1    .    2]" 1 
       1548 1 71 VAL MG2  1 72 ARG H    . . 4.050 3.794 3.703 3.923     .  0 0 "[    .    1    .    2]" 1 
       1549 1 71 VAL MG2  1 73 VAL H    . . 5.500 5.445 5.306 5.501 0.001 17 0 "[    .    1    .    2]" 1 
       1550 1 72 ARG H    1 72 ARG HB2  . . 3.400 2.407 2.168 2.748     .  0 0 "[    .    1    .    2]" 1 
       1551 1 72 ARG H    1 72 ARG QB   . . 2.870 2.232 2.147 2.283     .  0 0 "[    .    1    .    2]" 1 
       1552 1 72 ARG H    1 72 ARG HB3  . . 3.400 2.724 2.440 3.471 0.071 15 0 "[    .    1    .    2]" 1 
       1553 1 72 ARG H    1 72 ARG QD   . . 4.820 4.390 2.384 4.791     .  0 0 "[    .    1    .    2]" 1 
       1554 1 72 ARG H    1 72 ARG HG2  . . 4.710 4.565 4.310 4.653     .  0 0 "[    .    1    .    2]" 1 
       1555 1 72 ARG H    1 72 ARG QG   . . 4.070 3.960 3.559 4.058     .  0 0 "[    .    1    .    2]" 1 
       1556 1 72 ARG H    1 72 ARG HG3  . . 4.710 4.347 3.792 4.494     .  0 0 "[    .    1    .    2]" 1 
       1557 1 72 ARG H    1 73 VAL H    . . 3.110 2.558 2.349 2.737     .  0 0 "[    .    1    .    2]" 1 
       1558 1 72 ARG H    1 73 VAL MG2  . . 4.340 3.887 3.751 4.059     .  0 0 "[    .    1    .    2]" 1 
       1559 1 72 ARG H    1 74 TYR H    . . 4.460 4.202 3.974 4.460 0.000 16 0 "[    .    1    .    2]" 1 
       1560 1 72 ARG HA   1 72 ARG HD2  . . 5.020 4.001 2.265 4.581     .  0 0 "[    .    1    .    2]" 1 
       1561 1 72 ARG HA   1 72 ARG HD3  . . 5.020 4.069 2.551 4.792     .  0 0 "[    .    1    .    2]" 1 
       1562 1 72 ARG HA   1 72 ARG QG   . . 3.680 2.421 2.139 2.744     .  0 0 "[    .    1    .    2]" 1 
       1563 1 72 ARG HA   1 74 TYR H    . . 5.110 4.394 4.184 4.654     .  0 0 "[    .    1    .    2]" 1 
       1564 1 72 ARG HA   1 75 SER H    . . 3.750 3.377 3.257 3.502     .  0 0 "[    .    1    .    2]" 1 
       1565 1 72 ARG HA   1 75 SER HB2  . . 4.050 3.132 2.413 4.062 0.012 16 0 "[    .    1    .    2]" 1 
       1566 1 72 ARG HA   1 75 SER HB3  . . 4.050 3.225 2.647 4.050     .  0 0 "[    .    1    .    2]" 1 
       1567 1 72 ARG HA   1 76 GLN H    . . 4.770 4.480 3.973 4.728     .  0 0 "[    .    1    .    2]" 1 
       1568 1 72 ARG QB   1 72 ARG QD   . . 3.180 2.297 2.049 2.695     .  0 0 "[    .    1    .    2]" 1 
       1569 1 72 ARG QB   1 73 VAL H    . . 3.470 2.488 2.355 2.642     .  0 0 "[    .    1    .    2]" 1 
       1570 1 72 ARG QB   1 73 VAL MG2  . . 4.920 3.195 3.040 3.317     .  0 0 "[    .    1    .    2]" 1 
       1571 1 72 ARG HB2  1 72 ARG HD2  . . 4.070 2.828 2.089 3.532     .  0 0 "[    .    1    .    2]" 1 
       1572 1 72 ARG HB2  1 72 ARG HD3  . . 4.070 3.265 2.270 3.828     .  0 0 "[    .    1    .    2]" 1 
       1573 1 72 ARG HB3  1 72 ARG HD2  . . 4.070 3.137 2.273 4.156 0.086 16 0 "[    .    1    .    2]" 1 
       1574 1 72 ARG HB3  1 72 ARG HD3  . . 4.070 3.611 2.288 4.085 0.015  5 0 "[    .    1    .    2]" 1 
       1575 1 72 ARG QD   1 73 VAL H    . . 5.330 4.823 4.288 5.237     .  0 0 "[    .    1    .    2]" 1 
       1576 1 72 ARG QG   1 75 SER H    . . 5.340 4.705 4.488 5.109     .  0 0 "[    .    1    .    2]" 1 
       1577 1 72 ARG QG   1 76 GLN HG2  . . 4.750 2.973 2.281 4.371     .  0 0 "[    .    1    .    2]" 1 
       1578 1 73 VAL H    1 73 VAL HB   . . 3.160 2.631 2.549 2.751     .  0 0 "[    .    1    .    2]" 1 
       1579 1 73 VAL H    1 73 VAL MG1  . . 3.770 3.762 3.744 3.767     .  0 0 "[    .    1    .    2]" 1 
       1580 1 73 VAL H    1 73 VAL MG2  . . 2.920 2.028 1.873 2.248     .  0 0 "[    .    1    .    2]" 1 
       1581 1 73 VAL H    1 74 TYR H    . . 3.330 2.855 2.720 3.025     .  0 0 "[    .    1    .    2]" 1 
       1582 1 73 VAL H    1 75 SER H    . . 4.770 4.240 4.133 4.405     .  0 0 "[    .    1    .    2]" 1 
       1583 1 73 VAL HA   1 73 VAL MG1  . . 3.220 2.348 2.229 2.456     .  0 0 "[    .    1    .    2]" 1 
       1584 1 73 VAL HA   1 73 VAL MG2  . . 3.310 2.382 2.314 2.456     .  0 0 "[    .    1    .    2]" 1 
       1585 1 73 VAL HA   1 76 GLN H    . . 4.040 3.529 3.393 3.681     .  0 0 "[    .    1    .    2]" 1 
       1586 1 73 VAL HA   1 76 GLN HB2  . . 4.090 2.955 2.719 3.168     .  0 0 "[    .    1    .    2]" 1 
       1587 1 73 VAL HA   1 76 GLN HB3  . . 4.840 4.612 4.374 4.849 0.009 16 0 "[    .    1    .    2]" 1 
       1588 1 73 VAL HA   1 77 LEU H    . . 4.520 4.064 3.704 4.378     .  0 0 "[    .    1    .    2]" 1 
       1589 1 73 VAL HB   1 74 TYR H    . . 3.190 2.502 2.267 2.700     .  0 0 "[    .    1    .    2]" 1 
       1590 1 73 VAL HB   1 75 SER H    . . 5.230 4.965 4.756 5.170     .  0 0 "[    .    1    .    2]" 1 
       1591 1 73 VAL MG1  1 74 TYR H    . . 3.810 3.444 3.298 3.592     .  0 0 "[    .    1    .    2]" 1 
       1592 1 73 VAL MG1  1 74 TYR HA   . . 4.310 3.555 3.316 3.797     .  0 0 "[    .    1    .    2]" 1 
       1593 1 73 VAL MG1  1 76 GLN H    . . 4.820 4.464 4.194 4.805     .  0 0 "[    .    1    .    2]" 1 
       1594 1 73 VAL MG1  1 76 GLN HB2  . . 4.940 3.773 3.560 4.159     .  0 0 "[    .    1    .    2]" 1 
       1595 1 73 VAL MG1  1 77 LEU H    . . 4.270 3.729 3.358 4.118     .  0 0 "[    .    1    .    2]" 1 
       1596 1 73 VAL MG1  1 77 LEU HB2  . . 4.400 3.759 3.418 3.939     .  0 0 "[    .    1    .    2]" 1 
       1597 1 73 VAL MG1  1 77 LEU HG   . . 3.590 2.540 2.260 2.848     .  0 0 "[    .    1    .    2]" 1 
       1598 1 73 VAL MG2  1 74 TYR H    . . 3.990 3.759 3.600 3.888     .  0 0 "[    .    1    .    2]" 1 
       1599 1 73 VAL MG2  1 76 GLN H    . . 5.350 5.273 5.180 5.353 0.003 16 0 "[    .    1    .    2]" 1 
       1600 1 74 TYR H    1 74 TYR HB2  . . 3.090 2.542 2.472 2.645     .  0 0 "[    .    1    .    2]" 1 
       1601 1 74 TYR H    1 74 TYR HB3  . . 3.090 2.519 2.425 2.589     .  0 0 "[    .    1    .    2]" 1 
       1602 1 74 TYR H    1 74 TYR QD   . . 4.240 4.193 4.178 4.198     .  0 0 "[    .    1    .    2]" 1 
       1603 1 74 TYR H    1 75 SER H    . . 3.470 2.696 2.593 2.793     .  0 0 "[    .    1    .    2]" 1 
       1604 1 74 TYR H    1 75 SER HA   . . 5.370 5.294 5.213 5.374 0.004 11 0 "[    .    1    .    2]" 1 
       1605 1 74 TYR HA   1 74 TYR QD   . . 3.470 2.571 2.321 3.007     .  0 0 "[    .    1    .    2]" 1 
       1606 1 74 TYR HA   1 74 TYR QE   . . 4.810 4.566 4.461 4.707     .  0 0 "[    .    1    .    2]" 1 
       1607 1 74 TYR HA   1 77 LEU H    . . 3.930 3.381 3.124 3.832     .  0 0 "[    .    1    .    2]" 1 
       1608 1 74 TYR HA   1 77 LEU HB2  . . 3.790 2.378 2.127 2.703     .  0 0 "[    .    1    .    2]" 1 
       1609 1 74 TYR HA   1 77 LEU HB3  . . 4.400 3.904 3.660 4.214     .  0 0 "[    .    1    .    2]" 1 
       1610 1 74 TYR HA   1 77 LEU QD   . . 3.720 2.620 2.089 3.000     .  0 0 "[    .    1    .    2]" 1 
       1611 1 74 TYR HA   1 78 THR H    . . 4.770 3.956 3.578 4.773 0.003 16 0 "[    .    1    .    2]" 1 
       1612 1 74 TYR QB   1 75 SER H    . . 3.120 2.587 2.459 2.713     .  0 0 "[    .    1    .    2]" 1 
       1613 1 74 TYR HB2  1 75 SER H    . . 3.930 3.904 3.853 3.933 0.003 11 0 "[    .    1    .    2]" 1 
       1614 1 74 TYR HB3  1 75 SER H    . . 3.930 2.626 2.488 2.765     .  0 0 "[    .    1    .    2]" 1 
       1615 1 74 TYR QD   1 75 SER H    . . 4.130 3.692 3.382 4.043     .  0 0 "[    .    1    .    2]" 1 
       1616 1 74 TYR QD   1 75 SER HA   . . 4.540 3.704 3.054 4.083     .  0 0 "[    .    1    .    2]" 1 
       1617 1 74 TYR QD   1 75 SER QB   . . 5.090 4.289 3.854 4.973     .  0 0 "[    .    1    .    2]" 1 
       1618 1 74 TYR QD   1 77 LEU HB2  . . 5.320 3.884 3.264 4.468     .  0 0 "[    .    1    .    2]" 1 
       1619 1 74 TYR QD   1 77 LEU QD   . . 4.440 3.378 2.911 4.143     .  0 0 "[    .    1    .    2]" 1 
       1620 1 74 TYR QD   1 78 THR MG   . . 4.640 4.013 3.310 4.388     .  0 0 "[    .    1    .    2]" 1 
       1621 1 74 TYR QE   1 78 THR MG   . . 4.440 3.908 3.035 4.437     .  0 0 "[    .    1    .    2]" 1 
       1622 1 75 SER H    1 75 SER HB2  . . 3.440 2.432 2.175 3.503 0.063 16 0 "[    .    1    .    2]" 1 
       1623 1 75 SER H    1 75 SER QB   . . 2.830 2.202 2.149 2.259     .  0 0 "[    .    1    .    2]" 1 
       1624 1 75 SER H    1 75 SER HB3  . . 3.440 2.808 2.195 3.491 0.051  8 0 "[    .    1    .    2]" 1 
       1625 1 75 SER H    1 76 GLN H    . . 3.350 2.654 2.521 2.799     .  0 0 "[    .    1    .    2]" 1 
       1626 1 75 SER H    1 76 GLN HG2  . . 4.820 4.526 4.227 4.821 0.001 16 0 "[    .    1    .    2]" 1 
       1627 1 75 SER H    1 77 LEU H    . . 4.520 4.173 3.958 4.520     .  0 0 "[    .    1    .    2]" 1 
       1628 1 75 SER H    1 77 LEU HB2  . . 5.500 4.955 4.633 5.232     .  0 0 "[    .    1    .    2]" 1 
       1629 1 75 SER H    1 78 THR MG   . . 5.500 4.558 4.188 4.993     .  0 0 "[    .    1    .    2]" 1 
       1630 1 75 SER HA   1 78 THR MG   . . 4.590 2.669 2.248 3.308     .  0 0 "[    .    1    .    2]" 1 
       1631 1 75 SER QB   1 76 GLN H    . . 3.200 2.801 2.537 3.215 0.015 16 0 "[    .    1    .    2]" 1 
       1632 1 76 GLN H    1 76 GLN HB2  . . 3.130 2.422 2.352 2.502     .  0 0 "[    .    1    .    2]" 1 
       1633 1 76 GLN H    1 76 GLN HB3  . . 3.650 3.606 3.577 3.640     .  0 0 "[    .    1    .    2]" 1 
       1634 1 76 GLN H    1 76 GLN HE21 . . 5.420 4.208 2.704 5.119     .  0 0 "[    .    1    .    2]" 1 
       1635 1 76 GLN H    1 76 GLN QE   . . 4.750 3.976 2.677 4.639     .  0 0 "[    .    1    .    2]" 1 
       1636 1 76 GLN H    1 76 GLN HE22 . . 5.420 5.131 4.313 5.396     .  0 0 "[    .    1    .    2]" 1 
       1637 1 76 GLN H    1 76 GLN HG2  . . 3.220 2.565 2.307 2.728     .  0 0 "[    .    1    .    2]" 1 
       1638 1 76 GLN H    1 76 GLN HG3  . . 4.060 3.913 3.761 4.044     .  0 0 "[    .    1    .    2]" 1 
       1639 1 76 GLN H    1 77 LEU H    . . 3.100 2.441 2.197 2.736     .  0 0 "[    .    1    .    2]" 1 
       1640 1 76 GLN H    1 77 LEU HB2  . . 4.770 4.263 4.082 4.466     .  0 0 "[    .    1    .    2]" 1 
       1641 1 76 GLN H    1 77 LEU HG   . . 5.190 4.902 4.706 5.046     .  0 0 "[    .    1    .    2]" 1 
       1642 1 76 GLN HA   1 76 GLN HE21 . . 5.180 2.857 2.090 4.077     .  0 0 "[    .    1    .    2]" 1 
       1643 1 76 GLN HA   1 76 GLN QE   . . 4.550 2.663 2.058 3.606     .  0 0 "[    .    1    .    2]" 1 
       1644 1 76 GLN HA   1 76 GLN HE22 . . 5.180 3.241 2.951 4.020     .  0 0 "[    .    1    .    2]" 1 
       1645 1 76 GLN HA   1 76 GLN HG2  . . 3.840 3.182 2.876 3.427     .  0 0 "[    .    1    .    2]" 1 
       1646 1 76 GLN HA   1 76 GLN HG3  . . 4.160 3.661 3.578 3.747     .  0 0 "[    .    1    .    2]" 1 
       1647 1 76 GLN HA   1 78 THR MG   . . 5.500 4.432 3.496 5.503 0.003  6 0 "[    .    1    .    2]" 1 
       1648 1 76 GLN HA   1 79 MET ME   . . 4.570 3.498 2.034 4.565     .  0 0 "[    .    1    .    2]" 1 
       1649 1 76 GLN HA   1 79 MET HG2  . . 4.510 3.494 2.003 4.487     .  0 0 "[    .    1    .    2]" 1 
       1650 1 76 GLN HA   1 79 MET QG   . . 3.780 2.546 1.985 2.884     .  0 0 "[    .    1    .    2]" 1 
       1651 1 76 GLN HA   1 79 MET HG3  . . 4.510 2.906 2.230 4.508     .  0 0 "[    .    1    .    2]" 1 
       1652 1 76 GLN HB2  1 77 LEU H    . . 3.620 2.643 2.254 3.018     .  0 0 "[    .    1    .    2]" 1 
       1653 1 76 GLN HB3  1 77 LEU H    . . 3.940 3.612 3.269 3.929     .  0 0 "[    .    1    .    2]" 1 
       1654 1 76 GLN QE   1 79 MET ME   . . 4.310 2.926 1.931 3.818     .  0 0 "[    .    1    .    2]" 1 
       1655 1 76 GLN HE21 1 79 MET ME   . . 5.110 3.929 2.336 5.040     .  0 0 "[    .    1    .    2]" 1 
       1656 1 76 GLN HE22 1 79 MET ME   . . 5.110 3.069 1.949 4.003     .  0 0 "[    .    1    .    2]" 1 
       1657 1 76 GLN HG2  1 77 LEU H    . . 4.550 4.366 4.119 4.541     .  0 0 "[    .    1    .    2]" 1 
       1658 1 77 LEU H    1 77 LEU HB2  . . 3.150 2.225 2.162 2.364     .  0 0 "[    .    1    .    2]" 1 
       1659 1 77 LEU H    1 77 LEU HB3  . . 3.770 3.517 3.473 3.586     .  0 0 "[    .    1    .    2]" 1 
       1660 1 77 LEU H    1 77 LEU MD1  . . 4.570 3.659 3.509 3.773     .  0 0 "[    .    1    .    2]" 1 
       1661 1 77 LEU H    1 77 LEU QD   . . 3.710 3.351 3.277 3.459     .  0 0 "[    .    1    .    2]" 1 
       1662 1 77 LEU H    1 77 LEU MD2  . . 4.570 3.898 3.717 4.073     .  0 0 "[    .    1    .    2]" 1 
       1663 1 77 LEU H    1 77 LEU HG   . . 3.140 2.854 2.603 3.095     .  0 0 "[    .    1    .    2]" 1 
       1664 1 77 LEU H    1 78 THR H    . . 3.480 2.845 2.480 3.141     .  0 0 "[    .    1    .    2]" 1 
       1665 1 77 LEU H    1 78 THR MG   . . 4.920 4.043 3.589 4.490     .  0 0 "[    .    1    .    2]" 1 
       1666 1 77 LEU H    1 79 MET H    . . 4.690 4.393 3.819 4.697 0.007 16 0 "[    .    1    .    2]" 1 
       1667 1 77 LEU HA   1 77 LEU MD1  . . 4.370 3.820 3.812 3.834     .  0 0 "[    .    1    .    2]" 1 
       1668 1 77 LEU HA   1 77 LEU QD   . . 3.070 2.092 1.966 2.302     .  0 0 "[    .    1    .    2]" 1 
       1669 1 77 LEU HA   1 77 LEU MD2  . . 4.370 2.102 1.972 2.321     .  0 0 "[    .    1    .    2]" 1 
       1670 1 77 LEU HA   1 77 LEU HG   . . 3.940 2.709 2.619 2.791     .  0 0 "[    .    1    .    2]" 1 
       1671 1 77 LEU HA   1 80 GLN H    . . 3.730 3.548 3.352 3.705     .  0 0 "[    .    1    .    2]" 1 
       1672 1 77 LEU HA   1 80 GLN HB2  . . 3.950 3.545 2.980 3.886     .  0 0 "[    .    1    .    2]" 1 
       1673 1 77 LEU HA   1 80 GLN HB3  . . 4.080 3.365 2.853 3.802     .  0 0 "[    .    1    .    2]" 1 
       1674 1 77 LEU HA   1 81 LYS H    . . 4.980 4.231 3.987 4.552     .  0 0 "[    .    1    .    2]" 1 
       1675 1 77 LEU HB2  1 78 THR H    . . 3.720 2.660 2.393 3.133     .  0 0 "[    .    1    .    2]" 1 
       1676 1 77 LEU HB3  1 77 LEU MD1  . . 3.550 2.423 2.331 2.548     .  0 0 "[    .    1    .    2]" 1 
       1677 1 77 LEU HB3  1 77 LEU QD   . . 3.080 2.091 2.018 2.153     .  0 0 "[    .    1    .    2]" 1 
       1678 1 77 LEU HB3  1 77 LEU MD2  . . 3.550 2.290 2.166 2.367     .  0 0 "[    .    1    .    2]" 1 
       1679 1 77 LEU HB3  1 78 THR H    . . 4.130 3.106 2.716 3.640     .  0 0 "[    .    1    .    2]" 1 
       1680 1 77 LEU HB3  1 78 THR HA   . . 4.990 3.981 3.838 4.183     .  0 0 "[    .    1    .    2]" 1 
       1681 1 77 LEU HB3  1 80 GLN H    . . 5.290 5.109 4.959 5.242     .  0 0 "[    .    1    .    2]" 1 
       1682 1 77 LEU QD   1 78 THR H    . . 4.730 4.005 3.763 4.310     .  0 0 "[    .    1    .    2]" 1 
       1683 1 77 LEU QD   1 80 GLN HB2  . . 4.480 4.182 3.572 4.470     .  0 0 "[    .    1    .    2]" 1 
       1684 1 77 LEU QD   1 80 GLN HB3  . . 4.650 3.562 3.053 3.822     .  0 0 "[    .    1    .    2]" 1 
       1685 1 77 LEU HG   1 78 THR H    . . 5.220 4.728 4.611 4.898     .  0 0 "[    .    1    .    2]" 1 
       1686 1 78 THR H    1 78 THR HB   . . 3.620 2.913 2.299 3.626 0.006  4 0 "[    .    1    .    2]" 1 
       1687 1 78 THR H    1 78 THR MG   . . 3.620 2.240 1.951 2.610     .  0 0 "[    .    1    .    2]" 1 
       1688 1 78 THR H    1 79 MET H    . . 3.370 2.894 2.610 3.157     .  0 0 "[    .    1    .    2]" 1 
       1689 1 78 THR H    1 79 MET QB   . . 5.140 4.885 4.741 5.058     .  0 0 "[    .    1    .    2]" 1 
       1690 1 78 THR H    1 80 GLN H    . . 4.690 4.226 3.855 4.576     .  0 0 "[    .    1    .    2]" 1 
       1691 1 78 THR H    1 81 LYS QB   . . 5.340 4.778 4.331 5.327     .  0 0 "[    .    1    .    2]" 1 
       1692 1 78 THR HA   1 78 THR MG   . . 3.280 2.876 2.271 3.206     .  0 0 "[    .    1    .    2]" 1 
       1693 1 78 THR HA   1 80 GLN H    . . 4.550 4.148 3.783 4.530     .  0 0 "[    .    1    .    2]" 1 
       1694 1 78 THR HA   1 81 LYS H    . . 4.750 3.382 3.121 3.627     .  0 0 "[    .    1    .    2]" 1 
       1695 1 78 THR HA   1 81 LYS QB   . . 3.520 2.454 2.089 2.888     .  0 0 "[    .    1    .    2]" 1 
       1696 1 78 THR HA   1 81 LYS HD2  . . 5.210 3.997 2.718 4.881     .  0 0 "[    .    1    .    2]" 1 
       1697 1 78 THR HA   1 81 LYS QD   . . 4.470 3.204 1.985 4.478 0.008 16 0 "[    .    1    .    2]" 1 
       1698 1 78 THR HA   1 81 LYS HD3  . . 5.210 3.810 1.998 5.207     .  0 0 "[    .    1    .    2]" 1 
       1699 1 78 THR HA   1 81 LYS HE2  . . 5.500 4.104 2.165 5.495     .  0 0 "[    .    1    .    2]" 1 
       1700 1 78 THR HA   1 81 LYS HE3  . . 5.500 3.915 2.134 5.139     .  0 0 "[    .    1    .    2]" 1 
       1701 1 78 THR HA   1 81 LYS QG   . . 5.260 3.662 2.781 4.238     .  0 0 "[    .    1    .    2]" 1 
       1702 1 78 THR HB   1 79 MET H    . . 3.800 3.655 3.096 3.801 0.001  8 0 "[    .    1    .    2]" 1 
       1703 1 78 THR MG   1 79 MET H    . . 4.080 2.611 1.775 3.885     .  0 0 "[    .    1    .    2]" 1 
       1704 1 78 THR MG   1 79 MET HA   . . 5.500 3.987 2.868 5.386     .  0 0 "[    .    1    .    2]" 1 
       1705 1 78 THR MG   1 80 GLN H    . . 5.110 4.525 4.035 5.112 0.002  6 0 "[    .    1    .    2]" 1 
       1706 1 78 THR MG   1 81 LYS QB   . . 4.810 4.461 3.826 4.810     .  0 0 "[    .    1    .    2]" 1 
       1707 1 78 THR MG   1 82 ALA H    . . 5.290 4.998 4.701 5.220     .  0 0 "[    .    1    .    2]" 1 
       1708 1 78 THR MG   1 82 ALA MB   . . 4.690 4.502 3.992 4.696 0.006 16 0 "[    .    1    .    2]" 1 
       1709 1 79 MET H    1 79 MET QB   . . 2.790 2.520 2.321 2.639     .  0 0 "[    .    1    .    2]" 1 
       1710 1 79 MET H    1 79 MET ME   . . 4.750 4.383 3.663 4.741     .  0 0 "[    .    1    .    2]" 1 
       1711 1 79 MET H    1 79 MET HG2  . . 3.930 2.400 1.919 2.977     .  0 0 "[    .    1    .    2]" 1 
       1712 1 79 MET H    1 79 MET QG   . . 3.270 2.138 1.905 2.542     .  0 0 "[    .    1    .    2]" 1 
       1713 1 79 MET H    1 79 MET HG3  . . 3.930 2.897 2.033 3.474     .  0 0 "[    .    1    .    2]" 1 
       1714 1 79 MET H    1 80 GLN H    . . 3.220 2.804 2.549 3.024     .  0 0 "[    .    1    .    2]" 1 
       1715 1 79 MET H    1 81 LYS H    . . 5.040 4.414 3.832 4.740     .  0 0 "[    .    1    .    2]" 1 
       1716 1 79 MET H    1 81 LYS QB   . . 5.340 5.036 4.649 5.342 0.002 16 0 "[    .    1    .    2]" 1 
       1717 1 79 MET HA   1 79 MET QG   . . 3.740 2.730 2.283 3.338     .  0 0 "[    .    1    .    2]" 1 
       1718 1 79 MET HA   1 82 ALA H    . . 4.390 4.016 3.568 4.382     .  0 0 "[    .    1    .    2]" 1 
       1719 1 79 MET HA   1 82 ALA MB   . . 3.390 3.186 2.956 3.380     .  0 0 "[    .    1    .    2]" 1 
       1720 1 79 MET HB2  1 80 GLN H    . . 4.370 2.938 2.369 4.161     .  0 0 "[    .    1    .    2]" 1 
       1721 1 79 MET HB3  1 80 GLN H    . . 4.370 3.773 3.424 4.055     .  0 0 "[    .    1    .    2]" 1 
       1722 1 79 MET QG   1 80 GLN H    . . 4.160 3.643 1.941 4.158     .  0 0 "[    .    1    .    2]" 1 
       1723 1 79 MET HG2  1 80 GLN H    . . 4.870 4.224 2.717 4.859     .  0 0 "[    .    1    .    2]" 1 
       1724 1 79 MET HG3  1 80 GLN H    . . 4.870 4.090 1.986 4.871 0.001  4 0 "[    .    1    .    2]" 1 
       1725 1 80 GLN H    1 80 GLN HB2  . . 3.050 2.432 2.308 2.590     .  0 0 "[    .    1    .    2]" 1 
       1726 1 80 GLN H    1 80 GLN HB3  . . 2.950 2.704 2.511 2.834     .  0 0 "[    .    1    .    2]" 1 
       1727 1 80 GLN H    1 81 LYS H    . . 3.370 2.572 2.366 2.774     .  0 0 "[    .    1    .    2]" 1 
       1728 1 80 GLN H    1 81 LYS QB   . . 4.600 4.350 4.067 4.564     .  0 0 "[    .    1    .    2]" 1 
       1729 1 80 GLN H    1 82 ALA H    . . 4.550 4.150 3.765 4.494     .  0 0 "[    .    1    .    2]" 1 
       1730 1 80 GLN H    1 83 PHE HB3  . . 5.040 4.918 4.616 5.032     .  0 0 "[    .    1    .    2]" 1 
       1731 1 80 GLN HA   1 80 GLN QE   . . 5.340 4.003 3.352 4.600     .  0 0 "[    .    1    .    2]" 1 
       1732 1 80 GLN HA   1 82 ALA H    . . 4.730 4.565 4.133 4.728     .  0 0 "[    .    1    .    2]" 1 
       1733 1 80 GLN HA   1 83 PHE H    . . 3.880 3.412 3.280 3.533     .  0 0 "[    .    1    .    2]" 1 
       1734 1 80 GLN HA   1 83 PHE HB2  . . 4.050 3.679 3.478 3.843     .  0 0 "[    .    1    .    2]" 1 
       1735 1 80 GLN HA   1 83 PHE HB3  . . 3.940 2.457 2.326 2.611     .  0 0 "[    .    1    .    2]" 1 
       1736 1 80 GLN HA   1 83 PHE QD   . . 4.940 3.323 2.873 3.761     .  0 0 "[    .    1    .    2]" 1 
       1737 1 80 GLN HA   1 84 LEU H    . . 4.580 4.242 3.937 4.559     .  0 0 "[    .    1    .    2]" 1 
       1738 1 80 GLN HB2  1 81 LYS H    . . 3.910 3.625 3.390 3.896     .  0 0 "[    .    1    .    2]" 1 
       1739 1 80 GLN HB3  1 81 LYS H    . . 3.720 2.421 2.156 2.914     .  0 0 "[    .    1    .    2]" 1 
       1740 1 80 GLN HB3  1 82 ALA H    . . 5.390 5.056 4.814 5.344     .  0 0 "[    .    1    .    2]" 1 
       1741 1 80 GLN HB3  1 83 PHE H    . . 5.500 5.276 5.042 5.459     .  0 0 "[    .    1    .    2]" 1 
       1742 1 80 GLN QE   1 80 GLN QG   . . 3.060 2.200 2.087 2.225     .  0 0 "[    .    1    .    2]" 1 
       1743 1 80 GLN QE   1 83 PHE QE   . . 4.390 3.654 3.227 4.070     .  0 0 "[    .    1    .    2]" 1 
       1744 1 80 GLN QE   1 84 LEU MD2  . . 4.030 3.518 3.056 3.968     .  0 0 "[    .    1    .    2]" 1 
       1745 1 80 GLN QE   1 84 LEU HG   . . 4.410 4.141 3.569 4.404     .  0 0 "[    .    1    .    2]" 1 
       1746 1 80 GLN QG   1 81 LYS H    . . 4.570 3.780 3.632 4.169     .  0 0 "[    .    1    .    2]" 1 
       1747 1 80 GLN QG   1 83 PHE H    . . 4.990 4.795 4.368 4.940     .  0 0 "[    .    1    .    2]" 1 
       1748 1 80 GLN QG   1 84 LEU MD1  . . 4.100 2.430 1.971 2.959     .  0 0 "[    .    1    .    2]" 1 
       1749 1 80 GLN QG   1 84 LEU MD2  . . 4.340 3.438 2.979 3.845     .  0 0 "[    .    1    .    2]" 1 
       1750 1 80 GLN QG   1 84 LEU HG   . . 4.670 2.822 2.433 3.140     .  0 0 "[    .    1    .    2]" 1 
       1751 1 80 GLN HG2  1 81 LYS H    . . 5.240 4.527 4.366 4.775     .  0 0 "[    .    1    .    2]" 1 
       1752 1 80 GLN HG3  1 81 LYS H    . . 5.240 4.062 3.818 4.866     .  0 0 "[    .    1    .    2]" 1 
       1753 1 81 LYS H    1 81 LYS QB   . . 2.960 2.315 2.180 2.521     .  0 0 "[    .    1    .    2]" 1 
       1754 1 81 LYS H    1 81 LYS HD2  . . 5.500 4.489 3.608 5.029     .  0 0 "[    .    1    .    2]" 1 
       1755 1 81 LYS H    1 81 LYS QD   . . 4.750 3.907 3.212 4.546     .  0 0 "[    .    1    .    2]" 1 
       1756 1 81 LYS H    1 81 LYS HD3  . . 5.500 4.413 3.374 5.254     .  0 0 "[    .    1    .    2]" 1 
       1757 1 81 LYS H    1 81 LYS HG2  . . 4.270 3.703 3.211 4.160     .  0 0 "[    .    1    .    2]" 1 
       1758 1 81 LYS H    1 81 LYS QG   . . 3.430 2.502 2.055 2.874     .  0 0 "[    .    1    .    2]" 1 
       1759 1 81 LYS H    1 81 LYS HG3  . . 4.270 2.550 2.068 2.929     .  0 0 "[    .    1    .    2]" 1 
       1760 1 81 LYS H    1 82 ALA H    . . 3.530 2.862 2.665 3.045     .  0 0 "[    .    1    .    2]" 1 
       1761 1 81 LYS H    1 82 ALA MB   . . 4.650 4.450 4.235 4.558     .  0 0 "[    .    1    .    2]" 1 
       1762 1 81 LYS H    1 83 PHE H    . . 4.980 4.055 3.827 4.249     .  0 0 "[    .    1    .    2]" 1 
       1763 1 81 LYS H    1 84 LEU MD1  . . 4.820 4.028 3.507 4.707     .  0 0 "[    .    1    .    2]" 1 
       1764 1 81 LYS HA   1 81 LYS HD2  . . 5.290 4.462 3.964 4.855     .  0 0 "[    .    1    .    2]" 1 
       1765 1 81 LYS HA   1 81 LYS QD   . . 4.540 3.972 3.672 4.183     .  0 0 "[    .    1    .    2]" 1 
       1766 1 81 LYS HA   1 81 LYS HD3  . . 5.290 4.489 4.083 4.685     .  0 0 "[    .    1    .    2]" 1 
       1767 1 81 LYS HA   1 81 LYS HG2  . . 4.000 2.528 2.205 2.819     .  0 0 "[    .    1    .    2]" 1 
       1768 1 81 LYS HA   1 81 LYS QG   . . 3.450 2.318 2.167 2.479     .  0 0 "[    .    1    .    2]" 1 
       1769 1 81 LYS HA   1 81 LYS HG3  . . 4.000 2.829 2.389 3.229     .  0 0 "[    .    1    .    2]" 1 
       1770 1 81 LYS HA   1 82 ALA MB   . . 5.440 5.029 4.996 5.042     .  0 0 "[    .    1    .    2]" 1 
       1771 1 81 LYS HA   1 83 PHE H    . . 4.820 4.209 3.838 4.444     .  0 0 "[    .    1    .    2]" 1 
       1772 1 81 LYS HA   1 84 LEU H    . . 3.860 3.506 3.365 3.734     .  0 0 "[    .    1    .    2]" 1 
       1773 1 81 LYS HA   1 84 LEU HB2  . . 4.070 3.002 2.759 3.175     .  0 0 "[    .    1    .    2]" 1 
       1774 1 81 LYS HA   1 84 LEU HB3  . . 4.790 4.616 4.356 4.763     .  0 0 "[    .    1    .    2]" 1 
       1775 1 81 LYS HA   1 84 LEU MD1  . . 3.620 2.333 1.980 2.976     .  0 0 "[    .    1    .    2]" 1 
       1776 1 81 LYS HA   1 84 LEU HG   . . 4.200 3.750 3.291 4.094     .  0 0 "[    .    1    .    2]" 1 
       1777 1 81 LYS HA   1 85 GLU H    . . 4.410 4.241 3.945 4.406     .  0 0 "[    .    1    .    2]" 1 
       1778 1 81 LYS QB   1 81 LYS QD   . . 3.320 2.141 2.041 2.252     .  0 0 "[    .    1    .    2]" 1 
       1779 1 81 LYS QB   1 82 ALA H    . . 3.440 2.467 2.268 2.778     .  0 0 "[    .    1    .    2]" 1 
       1780 1 81 LYS QB   1 82 ALA MB   . . 4.200 3.729 3.645 3.799     .  0 0 "[    .    1    .    2]" 1 
       1781 1 81 LYS QB   1 83 PHE H    . . 4.840 4.471 4.339 4.604     .  0 0 "[    .    1    .    2]" 1 
       1782 1 81 LYS HB2  1 83 PHE H    . . 5.500 4.861 4.696 5.041     .  0 0 "[    .    1    .    2]" 1 
       1783 1 81 LYS HB3  1 83 PHE H    . . 5.500 5.226 5.039 5.465     .  0 0 "[    .    1    .    2]" 1 
       1784 1 81 LYS QE   1 81 LYS QG   . . 3.280 2.215 2.061 2.520     .  0 0 "[    .    1    .    2]" 1 
       1785 1 82 ALA H    1 82 ALA MB   . . 2.970 2.129 2.026 2.232     .  0 0 "[    .    1    .    2]" 1 
       1786 1 82 ALA H    1 83 PHE HB3  . . 5.110 4.630 4.377 4.864     .  0 0 "[    .    1    .    2]" 1 
       1787 1 82 ALA H    1 84 LEU H    . . 5.040 4.262 4.006 4.438     .  0 0 "[    .    1    .    2]" 1 
       1788 1 82 ALA H    1 85 GLU H    . . 5.500 4.916 4.697 5.112     .  0 0 "[    .    1    .    2]" 1 
       1789 1 82 ALA H    1 85 GLU QG   . . 5.340 4.574 4.270 4.991     .  0 0 "[    .    1    .    2]" 1 
       1790 1 82 ALA HA   1 84 LEU H    . . 4.820 4.415 3.956 4.692     .  0 0 "[    .    1    .    2]" 1 
       1791 1 82 ALA HA   1 85 GLU H    . . 3.850 3.588 3.327 3.801     .  0 0 "[    .    1    .    2]" 1 
       1792 1 82 ALA HA   1 85 GLU QB   . . 3.550 2.983 2.486 3.424     .  0 0 "[    .    1    .    2]" 1 
       1793 1 82 ALA HA   1 85 GLU QG   . . 4.640 2.742 1.991 3.196     .  0 0 "[    .    1    .    2]" 1 
       1794 1 82 ALA MB   1 83 PHE H    . . 3.320 2.787 2.608 3.109     .  0 0 "[    .    1    .    2]" 1 
       1795 1 82 ALA MB   1 83 PHE HA   . . 4.950 3.815 3.686 3.932     .  0 0 "[    .    1    .    2]" 1 
       1796 1 82 ALA MB   1 83 PHE HB2  . . 4.940 4.361 4.216 4.451     .  0 0 "[    .    1    .    2]" 1 
       1797 1 82 ALA MB   1 85 GLU QB   . . 4.640 4.138 3.800 4.644 0.004 17 0 "[    .    1    .    2]" 1 
       1798 1 82 ALA MB   1 85 GLU QG   . . 4.680 4.119 3.300 4.578     .  0 0 "[    .    1    .    2]" 1 
       1799 1 83 PHE H    1 83 PHE HB2  . . 3.170 2.911 2.691 3.103     .  0 0 "[    .    1    .    2]" 1 
       1800 1 83 PHE H    1 83 PHE HB3  . . 3.120 2.246 2.196 2.388     .  0 0 "[    .    1    .    2]" 1 
       1801 1 83 PHE H    1 83 PHE QD   . . 4.340 4.034 3.879 4.169     .  0 0 "[    .    1    .    2]" 1 
       1802 1 83 PHE H    1 84 LEU H    . . 3.310 2.569 2.202 2.740     .  0 0 "[    .    1    .    2]" 1 
       1803 1 83 PHE H    1 84 LEU HG   . . 4.620 4.395 3.823 4.605     .  0 0 "[    .    1    .    2]" 1 
       1804 1 83 PHE H    1 85 GLU QG   . . 5.340 4.881 3.925 5.317     .  0 0 "[    .    1    .    2]" 1 
       1805 1 83 PHE HA   1 83 PHE QD   . . 3.940 2.693 2.381 3.198     .  0 0 "[    .    1    .    2]" 1 
       1806 1 83 PHE HA   1 85 GLU H    . . 4.770 4.507 4.246 4.722     .  0 0 "[    .    1    .    2]" 1 
       1807 1 83 PHE HA   1 86 LYS H    . . 4.110 3.826 3.511 4.119 0.009 17 0 "[    .    1    .    2]" 1 
       1808 1 83 PHE HA   1 86 LYS HD2  . . 5.500 4.273 3.158 5.407     .  0 0 "[    .    1    .    2]" 1 
       1809 1 83 PHE HA   1 86 LYS HD3  . . 5.500 4.102 2.148 5.502 0.002  5 0 "[    .    1    .    2]" 1 
       1810 1 83 PHE HA   1 86 LYS QE   . . 5.340 3.843 2.053 5.239     .  0 0 "[    .    1    .    2]" 1 
       1811 1 83 PHE HA   1 86 LYS QG   . . 5.110 3.120 2.207 4.881     .  0 0 "[    .    1    .    2]" 1 
       1812 1 83 PHE HB2  1 84 LEU H    . . 4.350 4.075 3.908 4.328     .  0 0 "[    .    1    .    2]" 1 
       1813 1 83 PHE HB3  1 84 LEU H    . . 3.460 2.797 2.539 3.237     .  0 0 "[    .    1    .    2]" 1 
       1814 1 83 PHE QD   1 84 LEU H    . . 4.110 3.365 2.692 3.921     .  0 0 "[    .    1    .    2]" 1 
       1815 1 83 PHE QD   1 84 LEU HA   . . 4.690 3.791 2.930 4.203     .  0 0 "[    .    1    .    2]" 1 
       1816 1 83 PHE QD   1 84 LEU MD2  . . 3.810 3.191 2.536 3.781     .  0 0 "[    .    1    .    2]" 1 
       1817 1 83 PHE QD   1 84 LEU HG   . . 4.400 2.764 2.024 3.435     .  0 0 "[    .    1    .    2]" 1 
       1818 1 83 PHE QE   1 84 LEU MD2  . . 4.250 3.130 2.190 4.142     .  0 0 "[    .    1    .    2]" 1 
       1819 1 84 LEU H    1 84 LEU HB2  . . 3.160 2.454 2.374 2.531     .  0 0 "[    .    1    .    2]" 1 
       1820 1 84 LEU H    1 84 LEU HB3  . . 3.690 3.590 3.569 3.634     .  0 0 "[    .    1    .    2]" 1 
       1821 1 84 LEU H    1 84 LEU MD1  . . 3.880 3.363 3.164 3.635     .  0 0 "[    .    1    .    2]" 1 
       1822 1 84 LEU H    1 84 LEU MD2  . . 3.870 3.684 3.349 3.871 0.001 17 0 "[    .    1    .    2]" 1 
       1823 1 84 LEU H    1 84 LEU HG   . . 3.010 2.368 2.176 2.693     .  0 0 "[    .    1    .    2]" 1 
       1824 1 84 LEU H    1 85 GLU H    . . 3.290 2.627 2.269 2.879     .  0 0 "[    .    1    .    2]" 1 
       1825 1 84 LEU H    1 85 GLU QG   . . 4.750 4.265 3.394 4.675     .  0 0 "[    .    1    .    2]" 1 
       1826 1 84 LEU H    1 86 LYS H    . . 4.620 4.273 3.982 4.575     .  0 0 "[    .    1    .    2]" 1 
       1827 1 84 LEU HA   1 84 LEU MD1  . . 4.400 3.908 3.879 3.935     .  0 0 "[    .    1    .    2]" 1 
       1828 1 84 LEU HA   1 84 LEU MD2  . . 2.940 2.295 1.982 2.559     .  0 0 "[    .    1    .    2]" 1 
       1829 1 84 LEU HA   1 84 LEU HG   . . 3.830 2.886 2.743 3.038     .  0 0 "[    .    1    .    2]" 1 
       1830 1 84 LEU HA   1 86 LYS H    . . 4.580 4.229 3.691 4.556     .  0 0 "[    .    1    .    2]" 1 
       1831 1 84 LEU HA   1 87 GLN H    . . 4.380 3.544 2.924 4.323     .  0 0 "[    .    1    .    2]" 1 
       1832 1 84 LEU HA   1 87 GLN HB2  . . 4.420 2.679 2.014 4.456 0.036  5 0 "[    .    1    .    2]" 1 
       1833 1 84 LEU HA   1 87 GLN QB   . . 3.790 2.498 1.952 3.833 0.043  5 0 "[    .    1    .    2]" 1 
       1834 1 84 LEU HA   1 87 GLN HB3  . . 4.420 3.551 2.002 4.420 0.000  4 0 "[    .    1    .    2]" 1 
       1835 1 84 LEU HA   1 87 GLN HG2  . . 4.750 3.921 1.998 4.718     .  0 0 "[    .    1    .    2]" 1 
       1836 1 84 LEU HA   1 87 GLN QG   . . 4.100 3.096 1.795 4.101 0.001  6 0 "[    .    1    .    2]" 1 
       1837 1 84 LEU HA   1 87 GLN HG3  . . 4.750 3.426 2.000 4.744     .  0 0 "[    .    1    .    2]" 1 
       1838 1 84 LEU HB2  1 84 LEU MD1  . . 3.490 2.109 1.989 2.256     .  0 0 "[    .    1    .    2]" 1 
       1839 1 84 LEU HB2  1 84 LEU MD2  . . 3.470 3.156 3.124 3.190     .  0 0 "[    .    1    .    2]" 1 
       1840 1 84 LEU HB2  1 85 GLU H    . . 3.450 2.579 2.318 2.845     .  0 0 "[    .    1    .    2]" 1 
       1841 1 84 LEU HB3  1 84 LEU MD1  . . 3.490 2.572 2.451 2.678     .  0 0 "[    .    1    .    2]" 1 
       1842 1 84 LEU HB3  1 84 LEU MD2  . . 3.270 2.202 2.061 2.370     .  0 0 "[    .    1    .    2]" 1 
       1843 1 84 LEU HB3  1 85 GLU H    . . 3.860 3.588 3.310 3.851     .  0 0 "[    .    1    .    2]" 1 
       1844 1 84 LEU HB3  1 85 GLU HA   . . 4.750 4.382 4.210 4.559     .  0 0 "[    .    1    .    2]" 1 
       1845 1 84 LEU MD1  1 85 GLU H    . . 4.420 4.266 3.936 4.420 0.000  6 0 "[    .    1    .    2]" 1 
       1846 1 84 LEU MD2  1 85 GLU H    . . 5.500 4.773 4.660 4.907     .  0 0 "[    .    1    .    2]" 1 
       1847 1 84 LEU MD2  1 87 GLN QE   . . 4.500 2.527 1.984 3.784     .  0 0 "[    .    1    .    2]" 1 
       1848 1 84 LEU MD2  1 87 GLN HG2  . . 5.500 4.364 2.892 5.252     .  0 0 "[    .    1    .    2]" 1 
       1849 1 84 LEU MD2  1 87 GLN HG3  . . 5.500 4.020 2.791 5.222     .  0 0 "[    .    1    .    2]" 1 
       1850 1 84 LEU HG   1 87 GLN QE   . . 5.340 4.463 3.395 5.341 0.001 17 0 "[    .    1    .    2]" 1 
       1851 1 85 GLU H    1 85 GLU QB   . . 2.800 2.423 2.222 2.583     .  0 0 "[    .    1    .    2]" 1 
       1852 1 85 GLU H    1 85 GLU HG2  . . 3.730 2.848 1.951 3.707     .  0 0 "[    .    1    .    2]" 1 
       1853 1 85 GLU H    1 85 GLU QG   . . 3.270 2.298 1.938 2.669     .  0 0 "[    .    1    .    2]" 1 
       1854 1 85 GLU H    1 85 GLU HG3  . . 3.730 2.894 2.214 3.737 0.007  6 0 "[    .    1    .    2]" 1 
       1855 1 85 GLU H    1 86 LYS H    . . 3.180 2.868 2.612 3.136     .  0 0 "[    .    1    .    2]" 1 
       1856 1 85 GLU HA   1 85 GLU HG2  . . 4.070 2.731 2.280 3.864     .  0 0 "[    .    1    .    2]" 1 
       1857 1 85 GLU HA   1 85 GLU QG   . . 3.500 2.589 2.228 3.335     .  0 0 "[    .    1    .    2]" 1 
       1858 1 85 GLU HA   1 85 GLU HG3  . . 4.070 3.390 2.722 3.819     .  0 0 "[    .    1    .    2]" 1 
       1859 1 85 GLU QB   1 86 LYS H    . . 3.860 2.674 2.260 3.332     .  0 0 "[    .    1    .    2]" 1 
       1860 1 85 GLU HB2  1 86 LYS H    . . 4.620 2.800 2.299 3.896     .  0 0 "[    .    1    .    2]" 1 
       1861 1 85 GLU HB2  1 86 LYS HA   . . 5.500 4.569 4.329 4.835     .  0 0 "[    .    1    .    2]" 1 
       1862 1 85 GLU HB3  1 86 LYS H    . . 4.620 3.549 3.278 4.021     .  0 0 "[    .    1    .    2]" 1 
       1863 1 85 GLU HB3  1 86 LYS HA   . . 5.500 4.556 4.204 5.606 0.106 17 0 "[    .    1    .    2]" 1 
       1864 1 85 GLU QG   1 86 LYS H    . . 4.250 3.800 1.819 4.245     .  0 0 "[    .    1    .    2]" 1 
       1865 1 85 GLU HG2  1 86 LYS H    . . 5.040 4.372 2.035 5.040     .  0 0 "[    .    1    .    2]" 1 
       1866 1 85 GLU HG3  1 86 LYS H    . . 5.040 4.240 1.897 5.033     .  0 0 "[    .    1    .    2]" 1 
       1867 1 86 LYS H    1 86 LYS HB2  . . 4.190 3.253 2.297 3.758     .  0 0 "[    .    1    .    2]" 1 
       1868 1 86 LYS H    1 86 LYS QB   . . 3.580 2.587 2.270 2.944     .  0 0 "[    .    1    .    2]" 1 
       1869 1 86 LYS H    1 86 LYS HB3  . . 4.190 3.043 2.311 3.744     .  0 0 "[    .    1    .    2]" 1 
       1870 1 86 LYS H    1 86 LYS HD2  . . 5.500 4.478 2.795 4.961     .  0 0 "[    .    1    .    2]" 1 
       1871 1 86 LYS H    1 86 LYS HD3  . . 5.500 4.243 1.868 4.938     .  0 0 "[    .    1    .    2]" 1 
       1872 1 86 LYS H    1 86 LYS HG2  . . 3.720 2.848 1.983 3.708     .  0 0 "[    .    1    .    2]" 1 
       1873 1 86 LYS H    1 86 LYS QG   . . 3.250 2.272 1.965 2.563     .  0 0 "[    .    1    .    2]" 1 
       1874 1 86 LYS H    1 86 LYS HG3  . . 3.720 2.781 2.184 3.678     .  0 0 "[    .    1    .    2]" 1 
       1875 1 86 LYS H    1 87 GLN H    . . 3.400 2.779 2.344 3.227     .  0 0 "[    .    1    .    2]" 1 
       1876 1 86 LYS HA   1 86 LYS HD2  . . 5.500 4.855 4.094 5.501 0.001 11 0 "[    .    1    .    2]" 1 
       1877 1 86 LYS HA   1 86 LYS QD   . . 4.680 4.161 3.516 4.463     .  0 0 "[    .    1    .    2]" 1 
       1878 1 86 LYS HA   1 86 LYS HD3  . . 5.500 4.625 3.606 5.502 0.002  3 0 "[    .    1    .    2]" 1 
       1879 1 86 LYS HA   1 86 LYS QG   . . 3.600 3.041 2.301 3.449     .  0 0 "[    .    1    .    2]" 1 
       1880 1 86 LYS QG   1 87 GLN H    . . 4.580 3.606 1.957 4.458     .  0 0 "[    .    1    .    2]" 1 
       1881 1 87 GLN H    1 87 GLN HB2  . . 3.620 2.566 2.178 3.604     .  0 0 "[    .    1    .    2]" 1 
       1882 1 87 GLN H    1 87 GLN QB   . . 2.990 2.338 2.134 2.579     .  0 0 "[    .    1    .    2]" 1 
       1883 1 87 GLN H    1 87 GLN HB3  . . 3.620 3.084 2.527 3.623 0.003 17 0 "[    .    1    .    2]" 1 
       1884 1 87 GLN H    1 87 GLN HG2  . . 5.160 3.802 1.956 4.690     .  0 0 "[    .    1    .    2]" 1 
       1885 1 87 GLN H    1 87 GLN QG   . . 4.490 3.255 1.943 4.093     .  0 0 "[    .    1    .    2]" 1 
       1886 1 87 GLN H    1 87 GLN HG3  . . 5.160 3.744 2.419 4.660     .  0 0 "[    .    1    .    2]" 1 
       1887 1 87 GLN HA   1 87 GLN HG2  . . 4.180 2.938 2.252 3.901     .  0 0 "[    .    1    .    2]" 1 
       1888 1 87 GLN HA   1 87 GLN QG   . . 3.590 2.504 2.156 3.340     .  0 0 "[    .    1    .    2]" 1 
       1889 1 87 GLN HA   1 87 GLN HG3  . . 4.180 2.975 2.198 3.855     .  0 0 "[    .    1    .    2]" 1 
       1890 1 87 GLN QB   1 88 GLN H    . . 3.830 2.756 2.121 3.785     .  0 0 "[    .    1    .    2]" 1 
       1891 1 88 GLN H    1 88 GLN HB2  . . 4.160 3.098 2.227 3.977     .  0 0 "[    .    1    .    2]" 1 
       1892 1 88 GLN H    1 88 GLN HB3  . . 4.160 3.248 2.525 4.040     .  0 0 "[    .    1    .    2]" 1 
       1893 1 88 GLN H    1 88 GLN HG2  . . 5.260 3.356 1.906 5.227     .  0 0 "[    .    1    .    2]" 1 
       1894 1 88 GLN H    1 88 GLN QG   . . 4.540 3.030 1.894 4.390     .  0 0 "[    .    1    .    2]" 1 
       1895 1 88 GLN H    1 88 GLN HG3  . . 5.260 3.824 2.635 4.718     .  0 0 "[    .    1    .    2]" 1 
       1896 1 92 GLU HB2  1 93 LEU H    . . 4.920 3.923 2.339 4.650     .  0 0 "[    .    1    .    2]" 1 
       1897 1 92 GLU HB3  1 93 LEU H    . . 4.920 3.764 2.043 4.474     .  0 0 "[    .    1    .    2]" 1 
       1898 1 93 LEU H    1 93 LEU QB   . . 3.540 2.525 2.158 3.218     .  0 0 "[    .    1    .    2]" 1 
       1899 1 93 LEU HA   1 93 LEU QD   . . 4.170 2.672 1.988 3.385     .  0 0 "[    .    1    .    2]" 1 
       1900 1 95 GLY QA   1 96 PRO QD   . . 3.190 1.970 1.898 2.067     .  0 0 "[    .    1    .    2]" 1 
    stop_

save_



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