NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage program type subtype subsubtype
433736 2jvd 15476 cing 4-filtered-FRED Wattos check violation distance


data_2jvd


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              1010
    _Distance_constraint_stats_list.Viol_count                    196
    _Distance_constraint_stats_list.Viol_total                    128.430
    _Distance_constraint_stats_list.Viol_max                      0.145
    _Distance_constraint_stats_list.Viol_rms                      0.0044
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0003
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0328
    _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  2 ILE 0.948 0.125  7 0 "[    .    1    .    2]" 
       1  3 SER 0.086 0.040  7 0 "[    .    1    .    2]" 
       1  4 ASN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  5 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  6 LYS 1.026 0.145  9 0 "[    .    1    .    2]" 
       1  7 ILE 0.014 0.014 17 0 "[    .    1    .    2]" 
       1  8 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  9 ARG 0.048 0.014 19 0 "[    .    1    .    2]" 
       1 10 ILE 0.465 0.065 14 0 "[    .    1    .    2]" 
       1 11 ASN 0.014 0.014 17 0 "[    .    1    .    2]" 
       1 12 GLU 0.092 0.038 14 0 "[    .    1    .    2]" 
       1 13 LEU 0.318 0.045 19 0 "[    .    1    .    2]" 
       1 14 ALA 0.494 0.120  4 0 "[    .    1    .    2]" 
       1 15 ALA 0.155 0.038 11 0 "[    .    1    .    2]" 
       1 16 LYS 0.728 0.106 17 0 "[    .    1    .    2]" 
       1 17 ALA 0.078 0.037 12 0 "[    .    1    .    2]" 
       1 18 LYS 0.177 0.038 11 0 "[    .    1    .    2]" 
       1 19 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 20 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 21 VAL 0.650 0.106 17 0 "[    .    1    .    2]" 
       1 22 ILE 0.167 0.027 13 0 "[    .    1    .    2]" 
       1 23 THR 1.443 0.128 11 0 "[    .    1    .    2]" 
       1 24 GLU 1.508 0.128 11 0 "[    .    1    .    2]" 
       1 25 GLU 0.076 0.062  6 0 "[    .    1    .    2]" 
       1 26 GLU 0.256 0.039  1 0 "[    .    1    .    2]" 
       1 27 LYS 0.218 0.066 20 0 "[    .    1    .    2]" 
       1 28 ALA 0.062 0.062  6 0 "[    .    1    .    2]" 
       1 29 GLU 0.128 0.073  7 0 "[    .    1    .    2]" 
       1 30 GLN 0.627 0.120  4 0 "[    .    1    .    2]" 
       1 31 GLN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 32 LYS 0.089 0.073  7 0 "[    .    1    .    2]" 
       1 33 LEU 0.069 0.040  2 0 "[    .    1    .    2]" 
       1 34 ARG 0.590 0.065 14 0 "[    .    1    .    2]" 
       1 35 GLN 0.151 0.043  3 0 "[    .    1    .    2]" 
       1 36 GLU 0.662 0.145  9 0 "[    .    1    .    2]" 
       1 37 TYR 0.101 0.034  8 0 "[    .    1    .    2]" 
       1 38 LEU 0.176 0.048 19 0 "[    .    1    .    2]" 
       1 39 LYS 0.260 0.079 11 0 "[    .    1    .    2]" 
       1 40 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 41 PHE 0.214 0.056 20 0 "[    .    1    .    2]" 
       1 42 ARG 0.056 0.056 20 0 "[    .    1    .    2]" 
       1 46 LYS 0.107 0.070  6 0 "[    .    1    .    2]" 
       1 47 LEU 0.141 0.064 11 0 "[    .    1    .    2]" 
       1 48 GLU 0.006 0.006  2 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  7 ILE HA   1 10 ILE HG13 4.530 . 4.980 3.035 2.753 3.428     .  0 0 "[    .    1    .    2]" 1 
          2 1 24 GLU HA   1 27 LYS HB2  3.270 . 3.600 2.480 1.967 2.813     .  0 0 "[    .    1    .    2]" 1 
          3 1 38 LEU HA   1 38 LEU HG   4.120 . 4.530 3.091 3.035 3.166     .  0 0 "[    .    1    .    2]" 1 
          4 1 33 LEU HA   1 33 LEU HG   3.380 . 3.720 3.143 2.992 3.250     .  0 0 "[    .    1    .    2]" 1 
          5 1  6 LYS HA   1  6 LYS HG2  3.650 . 4.020 2.525 2.455 2.604     .  0 0 "[    .    1    .    2]" 1 
          6 1  7 ILE HA   1  7 ILE MG   3.310 . 3.640 2.419 2.384 2.441     .  0 0 "[    .    1    .    2]" 1 
          7 1 10 ILE HA   1 10 ILE MG   3.380 . 3.720 2.468 2.428 2.515     .  0 0 "[    .    1    .    2]" 1 
          8 1 12 GLU HA   1 12 GLU HG2  3.820 . 4.200 3.352 2.908 3.879     .  0 0 "[    .    1    .    2]" 1 
          9 1 16 LYS HA   1 16 LYS HG3  3.820 . 4.200 3.062 2.851 3.267     .  0 0 "[    .    1    .    2]" 1 
         10 1 18 LYS HA   1 18 LYS HG2  4.100 . 4.510 2.773 2.440 3.614     .  0 0 "[    .    1    .    2]" 1 
         11 1 21 VAL HA   1 21 VAL MG1  3.170 . 3.490 2.370 2.346 2.415     .  0 0 "[    .    1    .    2]" 1 
         12 1 21 VAL MG2  1 22 ILE HA   3.890 . 4.280 3.537 3.091 3.864     .  0 0 "[    .    1    .    2]" 1 
         13 1 23 THR HA   1 23 THR MG   3.330 . 3.660 2.382 2.309 2.456     .  0 0 "[    .    1    .    2]" 1 
         14 1 25 GLU HA   1 25 GLU HG2  3.910 . 4.300 3.338 3.125 3.811     .  0 0 "[    .    1    .    2]" 1 
         15 1 30 GLN HG2  1 31 GLN HA   4.390 . 4.830 3.734 3.461 4.044     .  0 0 "[    .    1    .    2]" 1 
         16 1 27 LYS HA   1 27 LYS HG2  3.620 . 3.980 2.594 2.418 2.702     .  0 0 "[    .    1    .    2]" 1 
         17 1 29 GLU HA   1 29 GLU HG2  3.980 . 4.380 3.542 3.038 3.846     .  0 0 "[    .    1    .    2]" 1 
         18 1 30 GLN HA   1 30 GLN HG2  3.570 . 3.930 3.178 3.027 3.495     .  0 0 "[    .    1    .    2]" 1 
         19 1 32 LYS HA   1 32 LYS HG2  4.010 . 4.410 3.129 2.642 3.496     .  0 0 "[    .    1    .    2]" 1 
         20 1 34 ARG HA   1 34 ARG HG3  3.840 . 4.220 2.979 2.777 3.151     .  0 0 "[    .    1    .    2]" 1 
         21 1 36 GLU HA   1 36 GLU HG2  3.990 . 4.390 2.887 2.351 3.214     .  0 0 "[    .    1    .    2]" 1 
         22 1 39 LYS HA   1 39 LYS HG2  4.010 . 4.410 2.916 2.465 3.676     .  0 0 "[    .    1    .    2]" 1 
         23 1  6 LYS HA   1  6 LYS HG3  3.650 . 4.020 3.046 2.835 3.170     .  0 0 "[    .    1    .    2]" 1 
         24 1 12 GLU HA   1 12 GLU HG3  3.650 . 4.020 2.832 2.547 3.295     .  0 0 "[    .    1    .    2]" 1 
         25 1 16 LYS HA   1 16 LYS HG2  3.630 . 3.990 2.568 2.450 2.645     .  0 0 "[    .    1    .    2]" 1 
         26 1 18 LYS HA   1 18 LYS HG3  4.100 . 4.510 2.892 2.346 3.207     .  0 0 "[    .    1    .    2]" 1 
         27 1 27 LYS HA   1 30 GLN HB3  3.710 . 4.080 2.664 2.084 3.019     .  0 0 "[    .    1    .    2]" 1 
         28 1 25 GLU HA   1 25 GLU HG3  3.910 . 4.300 2.667 2.435 3.243     .  0 0 "[    .    1    .    2]" 1 
         29 1 27 LYS HA   1 27 LYS HG3  3.620 . 3.980 2.992 2.777 3.329     .  0 0 "[    .    1    .    2]" 1 
         30 1 30 GLN HA   1 30 GLN HG3  4.020 . 4.420 2.596 2.547 2.662     .  0 0 "[    .    1    .    2]" 1 
         31 1 32 LYS HA   1 32 LYS HG3  4.010 . 4.410 2.745 2.438 3.742     .  0 0 "[    .    1    .    2]" 1 
         32 1 39 LYS HA   1 39 LYS HG3  4.010 . 4.410 3.554 2.555 3.812     .  0 0 "[    .    1    .    2]" 1 
         33 1 13 LEU HA   1 13 LEU HG   4.070 . 4.480 3.156 3.068 3.238     .  0 0 "[    .    1    .    2]" 1 
         34 1 13 LEU HA   1 16 LYS HG3  4.410 . 4.850 3.049 2.489 3.364     .  0 0 "[    .    1    .    2]" 1 
         35 1 22 ILE HA   1 22 ILE MD   3.720 . 4.090 3.781 3.750 3.805     .  0 0 "[    .    1    .    2]" 1 
         36 1 33 LEU HA   1 33 LEU MD1  4.030 . 4.430 3.865 3.828 3.903     .  0 0 "[    .    1    .    2]" 1 
         37 1 38 LEU HA   1 38 LEU MD1  4.020 . 4.420 3.861 3.845 3.882     .  0 0 "[    .    1    .    2]" 1 
         38 1  9 ARG HA   1  9 ARG HD2  3.820 . 4.200 2.342 1.913 3.690     .  0 0 "[    .    1    .    2]" 1 
         39 1 34 ARG HA   1 34 ARG HD2  4.760 . 5.240 4.693 4.359 4.876     .  0 0 "[    .    1    .    2]" 1 
         40 1 37 TYR HA   1 37 TYR QD   3.950 . 4.350 2.813 2.553 2.988     .  0 0 "[    .    1    .    2]" 1 
         41 1 41 PHE HA   1 41 PHE QD   4.090 . 4.500 2.620 2.003 2.982     .  0 0 "[    .    1    .    2]" 1 
         42 1  6 LYS HA   1  6 LYS HD3  4.120 . 4.530 4.351 4.230 4.436     .  0 0 "[    .    1    .    2]" 1 
         43 1 16 LYS HA   1 19 ALA MB   3.250 . 3.580 2.558 2.166 2.779     .  0 0 "[    .    1    .    2]" 1 
         44 1 32 LYS HA   1 32 LYS QD   4.230 . 4.650 4.069 3.495 4.347     .  0 0 "[    .    1    .    2]" 1 
         45 1 34 ARG HA   1 34 ARG HD3  4.760 . 5.240 4.627 4.282 4.740     .  0 0 "[    .    1    .    2]" 1 
         46 1 42 ARG HA   1 42 ARG QD   4.440 . 4.880 3.788 1.944 4.584     .  0 0 "[    .    1    .    2]" 1 
         47 1  2 ILE HA   1  2 ILE HG13 3.570 . 3.930 2.499 2.368 2.907     .  0 0 "[    .    1    .    2]" 1 
         48 1  7 ILE HA   1  7 ILE HG13 4.000 . 4.400 3.054 3.025 3.096     .  0 0 "[    .    1    .    2]" 1 
         49 1 10 ILE HA   1 10 ILE HG13 3.690 . 4.060 2.984 2.885 3.047     .  0 0 "[    .    1    .    2]" 1 
         50 1 10 ILE HA   1 13 LEU HB2  4.130 . 4.540 2.883 2.677 3.107     .  0 0 "[    .    1    .    2]" 1 
         51 1 22 ILE HA   1 22 ILE HG12 3.600 . 3.960 3.096 3.029 3.164     .  0 0 "[    .    1    .    2]" 1 
         52 1  2 ILE HA   1  2 ILE HG12 3.720 . 4.090 3.185 3.046 3.737     .  0 0 "[    .    1    .    2]" 1 
         53 1  7 ILE HA   1  7 ILE HG12 3.700 . 4.070 2.542 2.496 2.588     .  0 0 "[    .    1    .    2]" 1 
         54 1 10 ILE HA   1 10 ILE HG12 3.370 . 3.710 2.511 2.445 2.552     .  0 0 "[    .    1    .    2]" 1 
         55 1 22 ILE HA   1 22 ILE HG13 3.600 . 3.960 2.447 2.390 2.507     .  0 0 "[    .    1    .    2]" 1 
         56 1  6 LYS HA   1  6 LYS HE2  5.500 . 6.050 5.353 4.915 6.082 0.032 10 0 "[    .    1    .    2]" 1 
         57 1  6 LYS HA   1  6 LYS HE3  5.500 . 6.050 5.302 4.947 6.061 0.011 14 0 "[    .    1    .    2]" 1 
         58 1 32 LYS HA   1 32 LYS QE   5.500 . 6.050 4.719 3.999 5.135     .  0 0 "[    .    1    .    2]" 1 
         59 1 39 LYS HA   1 39 LYS HE2  5.500 . 6.050 4.540 3.579 5.242     .  0 0 "[    .    1    .    2]" 1 
         60 1 39 LYS HA   1 39 LYS HE3  5.500 . 6.050 4.427 1.857 6.064 0.014  8 0 "[    .    1    .    2]" 1 
         61 1 15 ALA H    1 15 ALA MB   3.060 . 3.370 2.243 2.228 2.263     .  0 0 "[    .    1    .    2]" 1 
         62 1 36 GLU H    1 36 GLU HB2  4.040 . 4.440 2.455 2.050 2.647     .  0 0 "[    .    1    .    2]" 1 
         63 1 46 LYS HB2  1 47 LEU H    5.500 . 6.050 4.098 2.000 4.663     .  0 0 "[    .    1    .    2]" 1 
         64 1 35 GLN HA   1 38 LEU HB2  3.870 . 4.260 2.629 2.267 3.014     .  0 0 "[    .    1    .    2]" 1 
         65 1 13 LEU HA   1 16 LYS HB2  3.560 . 3.920 2.387 2.160 2.651     .  0 0 "[    .    1    .    2]" 1 
         66 1 30 GLN HB2  1 30 GLN HG3  2.660 . 2.930 2.463 2.419 2.571     .  0 0 "[    .    1    .    2]" 1 
         67 1  7 ILE HB   1  7 ILE MD   3.330 . 3.660 2.449 2.432 2.470     .  0 0 "[    .    1    .    2]" 1 
         68 1 22 ILE HB   1 22 ILE MD   3.510 . 3.860 2.420 2.402 2.431     .  0 0 "[    .    1    .    2]" 1 
         69 1 34 ARG HB2  1 34 ARG HD2  4.080 . 4.490 3.447 2.569 3.763     .  0 0 "[    .    1    .    2]" 1 
         70 1  7 ILE MG   1 10 ILE HB   4.450 . 4.890 3.557 3.244 3.969     .  0 0 "[    .    1    .    2]" 1 
         71 1 33 LEU H    1 33 LEU HG   3.960 . 4.360 2.243 2.053 2.422     .  0 0 "[    .    1    .    2]" 1 
         72 1 38 LEU H    1 38 LEU HG   3.940 . 4.330 2.485 2.214 2.737     .  0 0 "[    .    1    .    2]" 1 
         73 1 35 GLN HA   1 35 GLN HG2  4.070 . 4.480 3.203 2.581 3.655     .  0 0 "[    .    1    .    2]" 1 
         74 1 29 GLU HA   1 29 GLU HG3  3.980 . 4.380 2.837 2.453 3.211     .  0 0 "[    .    1    .    2]" 1 
         75 1 34 ARG HA   1 34 ARG HG2  4.120 . 4.530 2.496 2.388 2.624     .  0 0 "[    .    1    .    2]" 1 
         76 1 35 GLN HA   1 35 GLN HG3  4.070 . 4.480 3.339 2.366 3.791     .  0 0 "[    .    1    .    2]" 1 
         77 1 36 GLU HA   1 36 GLU HG3  3.990 . 4.390 3.737 3.261 3.830     .  0 0 "[    .    1    .    2]" 1 
         78 1 24 GLU HG2  1 25 GLU H    5.500 . 6.050 4.620 4.087 4.974     .  0 0 "[    .    1    .    2]" 1 
         79 1 27 LYS H    1 27 LYS HG2  4.230 . 4.650 3.524 3.188 3.768     .  0 0 "[    .    1    .    2]" 1 
         80 1 29 GLU H    1 29 GLU HG2  4.740 . 5.210 4.542 4.397 4.643     .  0 0 "[    .    1    .    2]" 1 
         81 1 30 GLN H    1 30 GLN HG2  4.740 . 5.210 4.479 4.389 4.527     .  0 0 "[    .    1    .    2]" 1 
         82 1 31 GLN H    1 31 GLN HG2  4.730 . 5.200 4.089 2.049 4.619     .  0 0 "[    .    1    .    2]" 1 
         83 1  9 ARG H    1  9 ARG HG3  5.470 . 6.020 4.480 4.412 4.535     .  0 0 "[    .    1    .    2]" 1 
         84 1 29 GLU H    1 29 GLU HG3  4.740 . 5.210 4.479 4.421 4.522     .  0 0 "[    .    1    .    2]" 1 
         85 1 31 GLN H    1 31 GLN HG3  4.730 . 5.200 3.854 2.070 4.518     .  0 0 "[    .    1    .    2]" 1 
         86 1 36 GLU H    1 36 GLU HG3  4.280 . 4.710 3.564 2.223 4.258     .  0 0 "[    .    1    .    2]" 1 
         87 1 30 GLN HB3  1 30 GLN HG2  2.770 . 3.050 2.439 2.344 2.477     .  0 0 "[    .    1    .    2]" 1 
         88 1 10 ILE HG12 1 33 LEU HB3  3.860 . 4.250 2.747 2.186 3.115     .  0 0 "[    .    1    .    2]" 1 
         89 1 38 LEU HB3  1 38 LEU MD1  3.330 . 3.660 2.395 2.369 2.424     .  0 0 "[    .    1    .    2]" 1 
         90 1  7 ILE HG13 1  7 ILE MG   3.400 . 3.740 3.218 3.215 3.223     .  0 0 "[    .    1    .    2]" 1 
         91 1  7 ILE HG12 1  7 ILE MG   3.410 . 3.750 2.416 2.398 2.441     .  0 0 "[    .    1    .    2]" 1 
         92 1 34 ARG H    1 34 ARG HB3  3.840 . 4.220 3.603 3.579 3.627     .  0 0 "[    .    1    .    2]" 1 
         93 1 46 LYS HB3  1 47 LEU H    5.500 . 6.050 4.102 2.092 4.514     .  0 0 "[    .    1    .    2]" 1 
         94 1 38 LEU HB3  1 38 LEU MD2  3.470 . 3.820 2.400 2.369 2.423     .  0 0 "[    .    1    .    2]" 1 
         95 1 32 LYS HB3  1 32 LYS QD   3.380 . 3.720 2.457 2.175 3.161     .  0 0 "[    .    1    .    2]" 1 
         96 1 32 LYS HB2  1 32 LYS QD   3.380 . 3.720 2.609 2.302 3.291     .  0 0 "[    .    1    .    2]" 1 
         97 1 34 ARG HB2  1 34 ARG HD3  4.080 . 4.490 2.804 2.363 3.757     .  0 0 "[    .    1    .    2]" 1 
         98 1 16 LYS HE2  1 16 LYS HG3  4.190 . 4.610 2.950 2.489 3.549     .  0 0 "[    .    1    .    2]" 1 
         99 1 16 LYS HE3  1 16 LYS HG3  4.190 . 4.610 3.341 2.531 4.201     .  0 0 "[    .    1    .    2]" 1 
        100 1 33 LEU HB2  1 33 LEU MD1  3.230 . 3.550 2.348 2.264 2.401     .  0 0 "[    .    1    .    2]" 1 
        101 1 38 LEU HB2  1 38 LEU MD1  3.270 . 3.600 2.349 2.317 2.377     .  0 0 "[    .    1    .    2]" 1 
        102 1 13 LEU MD2  1 26 GLU HB3  3.950 . 4.350 1.837 1.768 2.053 0.032  1 0 "[    .    1    .    2]" 1 
        103 1 33 LEU HB3  1 33 LEU MD2  3.370 . 3.710 2.405 2.326 2.447     .  0 0 "[    .    1    .    2]" 1 
        104 1 18 LYS HB2  1 18 LYS QD   3.490 . 3.840 2.661 2.319 3.052     .  0 0 "[    .    1    .    2]" 1 
        105 1 18 LYS HB3  1 18 LYS QD   3.720 . 4.090 2.762 2.367 3.483     .  0 0 "[    .    1    .    2]" 1 
        106 1 27 LYS HB3  1 27 LYS QD   3.370 . 3.710 2.899 2.439 3.133     .  0 0 "[    .    1    .    2]" 1 
        107 1 27 LYS HB2  1 27 LYS QD   3.380 . 3.720 2.439 2.342 2.664     .  0 0 "[    .    1    .    2]" 1 
        108 1  2 ILE HB   1  2 ILE MD   3.530 . 3.880 2.416 2.374 2.455     .  0 0 "[    .    1    .    2]" 1 
        109 1 10 ILE HB   1 10 ILE MD   3.510 . 3.860 2.437 2.408 2.461     .  0 0 "[    .    1    .    2]" 1 
        110 1 10 ILE MD   1 10 ILE MG   3.280 . 3.610 1.942 1.921 1.967     .  0 0 "[    .    1    .    2]" 1 
        111 1  7 ILE MD   1  7 ILE MG   2.400 . 2.640 1.947 1.931 1.968     .  0 0 "[    .    1    .    2]" 1 
        112 1 22 ILE MD   1 22 ILE MG   2.400 . 2.640 1.967 1.951 1.989     .  0 0 "[    .    1    .    2]" 1 
        113 1 22 ILE H    1 22 ILE MG   3.420 . 3.760 1.986 1.875 2.074     .  0 0 "[    .    1    .    2]" 1 
        114 1 10 ILE HG12 1 10 ILE MG   3.330 . 3.660 2.412 2.387 2.458     .  0 0 "[    .    1    .    2]" 1 
        115 1  6 LYS HB3  1  7 ILE H    4.480 . 4.930 3.603 3.393 3.720     .  0 0 "[    .    1    .    2]" 1 
        116 1  9 ARG HB3  1 10 ILE H    4.230 . 4.650 2.613 2.397 2.831     .  0 0 "[    .    1    .    2]" 1 
        117 1 16 LYS HB3  1 17 ALA H    4.840 . 5.320 3.663 3.446 3.903     .  0 0 "[    .    1    .    2]" 1 
        118 1 18 LYS HB2  1 19 ALA H    3.940 . 4.330 3.086 2.553 4.030     .  0 0 "[    .    1    .    2]" 1 
        119 1 18 LYS HB3  1 19 ALA H    4.250 . 4.680 3.492 2.541 3.999     .  0 0 "[    .    1    .    2]" 1 
        120 1 27 LYS HB3  1 28 ALA H    4.260 . 4.690 3.546 3.339 3.809     .  0 0 "[    .    1    .    2]" 1 
        121 1 29 GLU HB3  1 30 GLN H    4.030 . 4.430 2.509 2.360 2.752     .  0 0 "[    .    1    .    2]" 1 
        122 1 34 ARG HB3  1 35 GLN H    4.190 . 4.610 3.678 3.540 3.852     .  0 0 "[    .    1    .    2]" 1 
        123 1 38 LEU HB3  1 39 LYS H    4.860 . 5.350 3.864 2.833 4.201     .  0 0 "[    .    1    .    2]" 1 
        124 1 24 GLU HB3  1 25 GLU H    3.860 . 4.250 3.763 3.306 3.982     .  0 0 "[    .    1    .    2]" 1 
        125 1 33 LEU HB2  1 34 ARG H    4.400 . 4.840 2.713 2.504 3.019     .  0 0 "[    .    1    .    2]" 1 
        126 1 22 ILE HB   1 23 THR H    4.960 . 5.460 4.226 4.107 4.312     .  0 0 "[    .    1    .    2]" 1 
        127 1 29 GLU HG2  1 30 GLN H    5.500 . 6.050 4.119 3.214 4.851     .  0 0 "[    .    1    .    2]" 1 
        128 1 30 GLN HG2  1 31 GLN H    5.060 . 5.570 3.605 3.213 3.803     .  0 0 "[    .    1    .    2]" 1 
        129 1 12 GLU HG3  1 13 LEU H    5.500 . 6.050 4.146 3.266 4.686     .  0 0 "[    .    1    .    2]" 1 
        130 1 24 GLU HG3  1 25 GLU H    5.500 . 6.050 4.497 4.053 5.123     .  0 0 "[    .    1    .    2]" 1 
        131 1 29 GLU HG3  1 30 GLN H    5.500 . 6.050 4.121 3.445 4.838     .  0 0 "[    .    1    .    2]" 1 
        132 1 30 GLN HG3  1 31 GLN H    5.030 . 5.530 4.617 4.178 4.790     .  0 0 "[    .    1    .    2]" 1 
        133 1 36 GLU HG3  1 37 TYR H    5.440 . 5.980 4.902 4.316 5.256     .  0 0 "[    .    1    .    2]" 1 
        134 1  2 ILE HA   1  2 ILE MD   4.480 . 4.930 3.604 1.968 3.829     .  0 0 "[    .    1    .    2]" 1 
        135 1  7 ILE HA   1  7 ILE MD   3.970 . 4.370 3.844 3.818 3.864     .  0 0 "[    .    1    .    2]" 1 
        136 1 10 ILE HA   1 10 ILE MD   3.950 . 4.350 3.828 3.782 3.851     .  0 0 "[    .    1    .    2]" 1 
        137 1 13 LEU MD1  1 27 LYS HA   5.040 . 5.540 4.118 3.716 4.766     .  0 0 "[    .    1    .    2]" 1 
        138 1 35 GLN HA   1 38 LEU MD1  3.910 . 4.300 2.715 2.346 3.556     .  0 0 "[    .    1    .    2]" 1 
        139 1 13 LEU HA   1 13 LEU MD2  3.220 . 3.540 2.018 1.958 2.078     .  0 0 "[    .    1    .    2]" 1 
        140 1 33 LEU HA   1 33 LEU MD2  3.180 . 3.500 2.034 1.941 2.116     .  0 0 "[    .    1    .    2]" 1 
        141 1 38 LEU HA   1 38 LEU MD2  3.210 . 3.530 1.999 1.966 2.051     .  0 0 "[    .    1    .    2]" 1 
        142 1 37 TYR QD   1 38 LEU HG   4.550 . 5.010 3.313 2.587 3.780     .  0 0 "[    .    1    .    2]" 1 
        143 1  2 ILE HG13 1 37 TYR QD   5.500 . 6.050 4.899 3.391 5.873     .  0 0 "[    .    1    .    2]" 1 
        144 1 34 ARG HG2  1 37 TYR QD   5.500 . 6.050 4.945 4.185 5.839     .  0 0 "[    .    1    .    2]" 1 
        145 1  2 ILE HG12 1 37 TYR QD   5.110 . 5.620 4.111 1.871 5.095     .  0 0 "[    .    1    .    2]" 1 
        146 1  2 ILE MD   1 37 TYR QD   4.260 . 4.690 2.203 1.766 2.948 0.034  8 0 "[    .    1    .    2]" 1 
        147 1  2 ILE MG   1 37 TYR QD   4.680 . 5.150 2.804 1.787 4.447 0.013  2 0 "[    .    1    .    2]" 1 
        148 1 38 LEU MD2  1 41 PHE QD   5.440 . 5.980 2.703 1.977 5.086     .  0 0 "[    .    1    .    2]" 1 
        149 1 37 TYR QE   1 38 LEU HG   5.500 . 6.050 5.381 4.593 5.920     .  0 0 "[    .    1    .    2]" 1 
        150 1  7 ILE HG12 1 37 TYR QE   5.400 . 5.940 3.756 2.694 5.317     .  0 0 "[    .    1    .    2]" 1 
        151 1  7 ILE MG   1 37 TYR QE   4.720 . 5.190 3.617 2.715 4.675     .  0 0 "[    .    1    .    2]" 1 
        152 1 10 ILE HA   1 30 GLN HG2  5.460 . 6.010 4.907 4.225 5.500     .  0 0 "[    .    1    .    2]" 1 
        153 1 10 ILE HA   1 30 GLN HG3  5.440 . 5.980 3.258 2.533 3.961     .  0 0 "[    .    1    .    2]" 1 
        154 1  9 ARG HG3  1 10 ILE HA   5.210 . 5.730 3.880 3.578 4.099     .  0 0 "[    .    1    .    2]" 1 
        155 1 10 ILE HA   1 33 LEU HB3  5.180 . 5.700 4.831 4.100 5.330     .  0 0 "[    .    1    .    2]" 1 
        156 1  3 SER HB3  1  6 LYS HD2  5.500 . 6.050 4.230 3.370 5.224     .  0 0 "[    .    1    .    2]" 1 
        157 1  3 SER HB2  1  6 LYS HD2  5.500 . 6.050 4.644 2.873 5.760     .  0 0 "[    .    1    .    2]" 1 
        158 1  3 SER HB2  1  5 ALA MB   5.110 . 5.620 4.035 3.020 5.319     .  0 0 "[    .    1    .    2]" 1 
        159 1  3 SER HB3  1  5 ALA MB   5.110 . 5.620 3.765 2.805 4.728     .  0 0 "[    .    1    .    2]" 1 
        160 1  7 ILE HA   1 11 ASN H    5.180 . 5.700 4.280 4.048 4.560     .  0 0 "[    .    1    .    2]" 1 
        161 1  7 ILE HA   1 10 ILE HB   3.600 . 3.960 2.788 2.468 3.215     .  0 0 "[    .    1    .    2]" 1 
        162 1 22 ILE HA   1 26 GLU HB2  4.860 . 5.350 3.670 3.261 4.080     .  0 0 "[    .    1    .    2]" 1 
        163 1  2 ILE HG13 1 37 TYR HA   5.090 . 5.600 4.731 4.044 5.577     .  0 0 "[    .    1    .    2]" 1 
        164 1  2 ILE HB   1 37 TYR HA   4.690 . 5.160 3.056 2.096 4.579     .  0 0 "[    .    1    .    2]" 1 
        165 1 36 GLU HB3  1 37 TYR HA   5.290 . 5.820 4.418 4.078 4.749     .  0 0 "[    .    1    .    2]" 1 
        166 1 36 GLU HB2  1 37 TYR HA   5.290 . 5.820 4.470 4.232 5.412     .  0 0 "[    .    1    .    2]" 1 
        167 1 10 ILE MD   1 37 TYR HA   5.230 . 5.750 4.459 3.954 4.919     .  0 0 "[    .    1    .    2]" 1 
        168 1 27 LYS HA   1 29 GLU H    5.060 . 5.570 4.509 4.346 4.701     .  0 0 "[    .    1    .    2]" 1 
        169 1 34 ARG HA   1 37 TYR HB2  4.020 . 4.420 2.903 2.501 3.209     .  0 0 "[    .    1    .    2]" 1 
        170 1 34 ARG HA   1 37 TYR HB3  3.680 . 4.050 2.381 1.912 2.737     .  0 0 "[    .    1    .    2]" 1 
        171 1 10 ILE MD   1 34 ARG HA   4.210 . 4.630 2.782 2.326 3.053     .  0 0 "[    .    1    .    2]" 1 
        172 1 30 GLN HA   1 33 LEU HB2  3.830 . 4.210 2.802 2.381 3.315     .  0 0 "[    .    1    .    2]" 1 
        173 1 30 GLN HA   1 33 LEU HB3  4.570 . 5.030 4.419 3.906 5.036 0.006 20 0 "[    .    1    .    2]" 1 
        174 1 13 LEU HB3  1 30 GLN HA   5.310 . 5.840 4.558 3.945 5.096     .  0 0 "[    .    1    .    2]" 1 
        175 1 30 GLN HA   1 33 LEU MD1  3.880 . 4.270 2.680 1.795 3.739 0.005 14 0 "[    .    1    .    2]" 1 
        176 1 13 LEU MD1  1 30 GLN HA   3.530 . 3.880 2.455 2.171 2.886     .  0 0 "[    .    1    .    2]" 1 
        177 1  6 LYS HA   1 33 LEU MD1  4.750 . 5.220 3.099 2.433 3.841     .  0 0 "[    .    1    .    2]" 1 
        178 1  6 LYS HA   1 33 LEU MD2  4.890 . 5.380 3.304 2.605 4.301     .  0 0 "[    .    1    .    2]" 1 
        179 1 13 LEU MD1  1 26 GLU HA   4.320 . 4.750 3.385 3.089 3.883     .  0 0 "[    .    1    .    2]" 1 
        180 1 31 GLN HA   1 34 ARG HD2  4.770 . 5.250 4.035 2.840 4.658     .  0 0 "[    .    1    .    2]" 1 
        181 1 38 LEU MD2  1 41 PHE HA   5.500 . 6.050 5.192 4.431 5.981     .  0 0 "[    .    1    .    2]" 1 
        182 1 13 LEU HA   1 17 ALA H    5.130 . 5.640 3.982 3.821 4.361     .  0 0 "[    .    1    .    2]" 1 
        183 1 13 LEU HA   1 16 LYS HG2  4.810 . 5.290 4.386 4.074 4.644     .  0 0 "[    .    1    .    2]" 1 
        184 1  9 ARG HA   1 12 GLU HG2  4.830 . 5.310 4.592 3.587 5.318 0.008  5 0 "[    .    1    .    2]" 1 
        185 1  9 ARG HA   1 12 GLU HB3  4.070 . 4.480 2.578 2.195 3.001     .  0 0 "[    .    1    .    2]" 1 
        186 1  9 ARG HA   1 33 LEU MD1  5.130 . 5.640 4.497 4.095 4.843     .  0 0 "[    .    1    .    2]" 1 
        187 1  9 ARG HA   1 13 LEU MD1  5.420 . 5.960 4.674 4.501 4.892     .  0 0 "[    .    1    .    2]" 1 
        188 1  9 ARG HA   1 13 LEU MD2  5.500 . 6.050 4.841 4.569 5.128     .  0 0 "[    .    1    .    2]" 1 
        189 1 38 LEU HA   1 41 PHE QD   4.660 . 5.130 3.368 2.240 4.366     .  0 0 "[    .    1    .    2]" 1 
        190 1 37 TYR QD   1 38 LEU HA   4.820 . 5.300 3.630 3.113 4.063     .  0 0 "[    .    1    .    2]" 1 
        191 1 37 TYR HB3  1 38 LEU HA   5.360 . 5.900 4.350 4.205 4.562     .  0 0 "[    .    1    .    2]" 1 
        192 1 38 LEU HA   1 41 PHE HB3  4.750 . 5.220 2.511 1.814 4.740     .  0 0 "[    .    1    .    2]" 1 
        193 1 16 LYS HA   1 21 VAL MG2  3.360 . 3.700 2.157 1.905 2.333     .  0 0 "[    .    1    .    2]" 1 
        194 1 34 ARG HA   1 38 LEU H    4.850 . 5.330 4.115 3.767 4.288     .  0 0 "[    .    1    .    2]" 1 
        195 1 11 ASN HA   1 14 ALA MB   3.390 . 3.730 2.488 2.093 2.777     .  0 0 "[    .    1    .    2]" 1 
        196 1 10 ILE MG   1 11 ASN HA   4.190 . 4.610 3.321 3.122 3.445     .  0 0 "[    .    1    .    2]" 1 
        197 1  4 ASN HA   1  7 ILE HB   3.600 . 3.960 2.541 2.189 3.049     .  0 0 "[    .    1    .    2]" 1 
        198 1  4 ASN HA   1  7 ILE HG13 4.560 . 5.020 2.898 2.449 3.425     .  0 0 "[    .    1    .    2]" 1 
        199 1  4 ASN HA   1  7 ILE HG12 4.970 . 5.470 4.289 3.909 4.846     .  0 0 "[    .    1    .    2]" 1 
        200 1  4 ASN HA   1  7 ILE MD   3.780 . 4.160 2.199 1.969 2.918     .  0 0 "[    .    1    .    2]" 1 
        201 1 15 ALA HA   1 18 LYS HB2  3.810 . 4.190 2.999 2.430 4.029     .  0 0 "[    .    1    .    2]" 1 
        202 1 15 ALA HA   1 18 LYS HB3  4.330 . 4.760 4.016 2.451 4.794 0.034  6 0 "[    .    1    .    2]" 1 
        203 1 15 ALA HA   1 18 LYS QD   4.470 . 4.920 3.665 1.980 4.883     .  0 0 "[    .    1    .    2]" 1 
        204 1  8 ALA HA   1 11 ASN HB2  3.860 . 4.250 2.842 2.554 3.148     .  0 0 "[    .    1    .    2]" 1 
        205 1  8 ALA HA   1 11 ASN HB3  4.450 . 4.890 4.446 4.094 4.715     .  0 0 "[    .    1    .    2]" 1 
        206 1  7 ILE MG   1  8 ALA HA   4.160 . 4.580 3.506 3.281 3.624     .  0 0 "[    .    1    .    2]" 1 
        207 1 28 ALA HA   1 31 GLN H    4.030 . 4.430 3.566 3.333 3.923     .  0 0 "[    .    1    .    2]" 1 
        208 1 27 LYS HB2  1 28 ALA HA   4.810 . 5.290 4.419 4.233 4.555     .  0 0 "[    .    1    .    2]" 1 
        209 1 17 ALA HA   1 19 ALA H    5.060 . 5.570 4.333 4.103 4.718     .  0 0 "[    .    1    .    2]" 1 
        210 1 17 ALA HA   1 22 ILE H    4.260 . 4.690 3.626 3.330 4.123     .  0 0 "[    .    1    .    2]" 1 
        211 1 17 ALA HA   1 22 ILE HB   3.700 . 4.070 3.081 2.662 3.377     .  0 0 "[    .    1    .    2]" 1 
        212 1 17 ALA HA   1 22 ILE MG   3.240 . 3.560 1.991 1.844 2.197     .  0 0 "[    .    1    .    2]" 1 
        213 1  4 ASN QB   1  5 ALA HA   4.570 . 5.030 4.114 3.934 4.395     .  0 0 "[    .    1    .    2]" 1 
        214 1 18 LYS HB2  1 19 ALA HA   5.340 . 5.870 4.839 4.347 5.773     .  0 0 "[    .    1    .    2]" 1 
        215 1 19 ALA HA   1 21 VAL MG1  4.770 . 5.250 4.381 4.136 4.803     .  0 0 "[    .    1    .    2]" 1 
        216 1 17 ALA MB   1 20 GLY HA2  5.500 . 6.050 4.889 4.703 5.278     .  0 0 "[    .    1    .    2]" 1 
        217 1 19 ALA MB   1 20 GLY HA2  5.500 . 6.050 4.633 4.378 4.741     .  0 0 "[    .    1    .    2]" 1 
        218 1 19 ALA MB   1 20 GLY HA3  5.010 . 5.510 4.372 4.134 4.486     .  0 0 "[    .    1    .    2]" 1 
        219 1 20 GLY HA2  1 22 ILE MG   4.760 . 5.240 3.284 3.069 3.538     .  0 0 "[    .    1    .    2]" 1 
        220 1 20 GLY HA3  1 21 VAL MG1  4.500 . 4.950 4.037 3.930 4.143     .  0 0 "[    .    1    .    2]" 1 
        221 1 20 GLY HA3  1 21 VAL HA   5.460 . 6.010 4.484 4.399 4.565     .  0 0 "[    .    1    .    2]" 1 
        222 1 20 GLY HA2  1 21 VAL HA   5.500 . 6.050 4.642 4.529 4.729     .  0 0 "[    .    1    .    2]" 1 
        223 1 30 GLN HG3  1 34 ARG HD3  5.190 . 5.710 4.405 3.354 4.962     .  0 0 "[    .    1    .    2]" 1 
        224 1 10 ILE HG12 1 34 ARG HD2  5.500 . 6.050 5.477 4.974 6.115 0.065 14 0 "[    .    1    .    2]" 1 
        225 1 10 ILE HG12 1 34 ARG HD3  5.500 . 6.050 5.827 4.872 6.096 0.046 18 0 "[    .    1    .    2]" 1 
        226 1 10 ILE MG   1 34 ARG HD2  5.260 . 5.790 3.948 3.199 4.984     .  0 0 "[    .    1    .    2]" 1 
        227 1 10 ILE MG   1 34 ARG HD3  5.260 . 5.790 4.539 3.050 5.191     .  0 0 "[    .    1    .    2]" 1 
        228 1 31 GLN HA   1 34 ARG HD3  4.770 . 5.250 3.213 1.957 4.851     .  0 0 "[    .    1    .    2]" 1 
        229 1  9 ARG HA   1  9 ARG HD3  3.820 . 4.200 2.904 2.064 3.276     .  0 0 "[    .    1    .    2]" 1 
        230 1 18 LYS HB2  1 18 LYS QE   3.960 . 4.360 2.502 1.948 3.705     .  0 0 "[    .    1    .    2]" 1 
        231 1 18 LYS HB3  1 18 LYS QE   4.270 . 4.700 2.609 2.030 3.534     .  0 0 "[    .    1    .    2]" 1 
        232 1 12 GLU HG3  1 16 LYS HE2  4.490 . 4.940 3.665 1.805 4.861     .  0 0 "[    .    1    .    2]" 1 
        233 1  6 LYS HE2  1 33 LEU MD2  4.470 . 4.920 3.421 2.446 4.592     .  0 0 "[    .    1    .    2]" 1 
        234 1 16 LYS HE2  1 21 VAL MG2  4.490 . 4.940 4.156 2.881 5.009 0.069 10 0 "[    .    1    .    2]" 1 
        235 1 15 ALA HA   1 18 LYS QE   4.020 . 4.420 3.000 1.885 4.096     .  0 0 "[    .    1    .    2]" 1 
        236 1 12 GLU HG2  1 16 LYS HE2  4.830 . 5.310 3.586 1.870 5.348 0.038 14 0 "[    .    1    .    2]" 1 
        237 1 12 GLU HG3  1 16 LYS HE3  4.490 . 4.940 3.630 2.755 4.950 0.010 18 0 "[    .    1    .    2]" 1 
        238 1 16 LYS HB2  1 16 LYS HE3  5.360 . 5.900 4.584 4.312 4.825     .  0 0 "[    .    1    .    2]" 1 
        239 1 10 ILE HA   1 13 LEU HB3  5.020 . 5.520 4.562 4.306 4.808     .  0 0 "[    .    1    .    2]" 1 
        240 1 13 LEU HB2  1 30 GLN HG2  5.070 . 5.580 4.640 4.140 4.993     .  0 0 "[    .    1    .    2]" 1 
        241 1 13 LEU HB2  1 30 GLN HB2  4.730 . 5.200 3.023 2.663 3.780     .  0 0 "[    .    1    .    2]" 1 
        242 1 13 LEU HB2  1 14 ALA MB   5.130 . 5.640 4.177 4.010 4.354     .  0 0 "[    .    1    .    2]" 1 
        243 1 13 LEU HB3  1 30 GLN HB3  4.800 . 5.280 4.077 3.767 4.728     .  0 0 "[    .    1    .    2]" 1 
        244 1 13 LEU HB3  1 30 GLN HB2  4.490 . 4.940 2.623 2.465 3.193     .  0 0 "[    .    1    .    2]" 1 
        245 1 16 LYS HB2  1 22 ILE HB   4.420 . 4.860 2.416 2.081 2.732     .  0 0 "[    .    1    .    2]" 1 
        246 1 17 ALA MB   1 22 ILE HB   4.550 . 5.010 3.581 3.315 3.893     .  0 0 "[    .    1    .    2]" 1 
        247 1 38 LEU HA   1 41 PHE HB2  4.750 . 5.220 2.833 1.977 3.627     .  0 0 "[    .    1    .    2]" 1 
        248 1 38 LEU HG   1 41 PHE HB3  5.500 . 6.050 5.080 4.236 6.093 0.043  3 0 "[    .    1    .    2]" 1 
        249 1 38 LEU HB3  1 41 PHE HB3  5.500 . 6.050 3.779 2.303 6.072 0.022  3 0 "[    .    1    .    2]" 1 
        250 1 38 LEU HB3  1 41 PHE HB2  5.500 . 6.050 4.568 1.820 5.684     .  0 0 "[    .    1    .    2]" 1 
        251 1 38 LEU MD2  1 41 PHE HB3  5.140 . 5.650 2.901 1.975 3.865     .  0 0 "[    .    1    .    2]" 1 
        252 1 38 LEU MD2  1 41 PHE HB2  5.140 . 5.650 3.574 2.166 4.251     .  0 0 "[    .    1    .    2]" 1 
        253 1  2 ILE HB   1  6 LYS HD2  4.420 . 4.860 4.142 3.331 4.868 0.008 18 0 "[    .    1    .    2]" 1 
        254 1 37 TYR HB3  1 38 LEU HG   4.880 . 5.370 3.318 2.927 3.564     .  0 0 "[    .    1    .    2]" 1 
        255 1 10 ILE HG13 1 37 TYR HB2  5.500 . 6.050 5.239 4.776 5.825     .  0 0 "[    .    1    .    2]" 1 
        256 1 34 ARG HG2  1 37 TYR HB3  5.500 . 6.050 4.261 3.479 4.844     .  0 0 "[    .    1    .    2]" 1 
        257 1 34 ARG HB3  1 37 TYR HB3  5.140 . 5.650 4.004 3.520 4.408     .  0 0 "[    .    1    .    2]" 1 
        258 1  2 ILE HB   1 37 TYR HB2  5.500 . 6.050 4.183 3.438 5.448     .  0 0 "[    .    1    .    2]" 1 
        259 1 34 ARG HB3  1 37 TYR HB2  5.500 . 6.050 5.181 4.658 5.541     .  0 0 "[    .    1    .    2]" 1 
        260 1  2 ILE MD   1 37 TYR HB3  4.610 . 5.070 3.616 3.430 3.988     .  0 0 "[    .    1    .    2]" 1 
        261 1 10 ILE HG12 1 37 TYR HB2  5.250 . 5.780 5.175 4.483 5.756     .  0 0 "[    .    1    .    2]" 1 
        262 1 37 TYR HB3  1 38 LEU MD1  4.920 . 5.410 4.748 4.382 4.941     .  0 0 "[    .    1    .    2]" 1 
        263 1  4 ASN QB   1  7 ILE HB   4.670 . 5.140 4.083 3.460 4.841     .  0 0 "[    .    1    .    2]" 1 
        264 1  4 ASN QB   1  5 ALA MB   4.900 . 5.390 4.107 3.738 4.626     .  0 0 "[    .    1    .    2]" 1 
        265 1  4 ASN QB   1  8 ALA MB   5.440 . 5.980 4.398 3.812 5.081     .  0 0 "[    .    1    .    2]" 1 
        266 1  4 ASN QB   1  7 ILE MD   4.710 . 5.180 3.679 3.163 4.565     .  0 0 "[    .    1    .    2]" 1 
        267 1 11 ASN HB2  1 14 ALA MB   5.140 . 5.650 4.973 4.650 5.304     .  0 0 "[    .    1    .    2]" 1 
        268 1  7 ILE MG   1 11 ASN HB2  5.430 . 5.970 4.606 4.273 5.080     .  0 0 "[    .    1    .    2]" 1 
        269 1  7 ILE MG   1 11 ASN HB3  5.250 . 5.780 5.426 4.958 5.794 0.014 17 0 "[    .    1    .    2]" 1 
        270 1  7 ILE HB   1  8 ALA HA   5.330 . 5.860 4.329 4.235 4.403     .  0 0 "[    .    1    .    2]" 1 
        271 1  7 ILE HB   1  8 ALA MB   4.840 . 5.320 3.971 3.784 4.071     .  0 0 "[    .    1    .    2]" 1 
        272 1 23 THR MG   1 26 GLU HG2  5.400 . 5.940 4.612 3.420 5.603     .  0 0 "[    .    1    .    2]" 1 
        273 1 23 THR MG   1 26 GLU HG3  5.400 . 5.940 3.796 3.155 4.161     .  0 0 "[    .    1    .    2]" 1 
        274 1 13 LEU MD2  1 26 GLU HG2  4.390 . 4.830 3.368 2.795 4.269     .  0 0 "[    .    1    .    2]" 1 
        275 1 13 LEU MD2  1 26 GLU HG3  4.390 . 4.830 3.824 2.784 4.410     .  0 0 "[    .    1    .    2]" 1 
        276 1 25 GLU HG3  1 28 ALA MB   5.210 . 5.730 4.038 3.488 4.643     .  0 0 "[    .    1    .    2]" 1 
        277 1 25 GLU HG2  1 28 ALA MB   5.210 . 5.730 4.692 4.106 5.792 0.062  6 0 "[    .    1    .    2]" 1 
        278 1  6 LYS HD3  1 36 GLU HG2  5.370 . 5.910 4.730 3.991 5.787     .  0 0 "[    .    1    .    2]" 1 
        279 1 24 GLU HG2  1 27 LYS QD   5.500 . 6.050 3.506 2.113 4.475     .  0 0 "[    .    1    .    2]" 1 
        280 1 12 GLU HG2  1 16 LYS HD2  5.500 . 6.050 3.520 1.958 5.530     .  0 0 "[    .    1    .    2]" 1 
        281 1 24 GLU HG3  1 27 LYS QD   5.500 . 6.050 4.531 3.701 4.990     .  0 0 "[    .    1    .    2]" 1 
        282 1 23 THR MG   1 24 GLU HG2  5.500 . 6.050 5.585 4.722 6.157 0.107 12 0 "[    .    1    .    2]" 1 
        283 1 23 THR MG   1 24 GLU HG3  5.500 . 6.050 5.518 4.842 6.178 0.128 11 0 "[    .    1    .    2]" 1 
        284 1  6 LYS HD3  1 36 GLU HG3  5.370 . 5.910 3.166 2.457 4.673     .  0 0 "[    .    1    .    2]" 1 
        285 1 33 LEU MD2  1 36 GLU HG3  4.930 . 5.420 3.172 2.425 4.127     .  0 0 "[    .    1    .    2]" 1 
        286 1  2 ILE MD   1 36 GLU HG3  5.410 . 5.950 4.598 3.672 5.347     .  0 0 "[    .    1    .    2]" 1 
        287 1 33 LEU MD2  1 36 GLU HG2  4.930 . 5.420 4.048 3.174 5.275     .  0 0 "[    .    1    .    2]" 1 
        288 1  2 ILE MD   1 36 GLU HG2  5.410 . 5.950 5.126 4.378 5.907     .  0 0 "[    .    1    .    2]" 1 
        289 1  9 ARG HA   1 12 GLU HG3  5.500 . 6.050 5.067 4.530 5.517     .  0 0 "[    .    1    .    2]" 1 
        290 1 12 GLU HG3  1 16 LYS HG3  4.780 . 5.260 3.665 2.820 4.425     .  0 0 "[    .    1    .    2]" 1 
        291 1 12 GLU HG2  1 16 LYS HG3  5.500 . 6.050 3.678 2.694 5.427     .  0 0 "[    .    1    .    2]" 1 
        292 1 12 GLU HG2  1 16 LYS HD3  5.500 . 6.050 4.783 2.974 6.053 0.003 10 0 "[    .    1    .    2]" 1 
        293 1 13 LEU MD1  1 29 GLU HG3  4.350 . 4.790 3.520 2.157 4.835 0.045 19 0 "[    .    1    .    2]" 1 
        294 1 29 GLU HG3  1 33 LEU MD1  4.170 . 4.590 2.894 2.250 3.961     .  0 0 "[    .    1    .    2]" 1 
        295 1 35 GLN HG3  1 38 LEU MD1  5.500 . 6.050 4.621 2.947 6.068 0.018 19 0 "[    .    1    .    2]" 1 
        296 1 35 GLN HG2  1 38 LEU MD1  5.500 . 6.050 4.508 3.137 5.441     .  0 0 "[    .    1    .    2]" 1 
        297 1 14 ALA HA   1 30 GLN HG3  5.500 . 6.050 5.098 4.351 5.719     .  0 0 "[    .    1    .    2]" 1 
        298 1 30 GLN HG3  1 31 GLN HA   5.500 . 6.050 5.179 4.479 5.567     .  0 0 "[    .    1    .    2]" 1 
        299 1 27 LYS HA   1 30 GLN HG3  5.500 . 6.050 5.322 4.845 5.790     .  0 0 "[    .    1    .    2]" 1 
        300 1 27 LYS HA   1 30 GLN HG2  5.020 . 5.520 4.881 4.130 5.259     .  0 0 "[    .    1    .    2]" 1 
        301 1 30 GLN HG3  1 34 ARG HD2  5.190 . 5.710 3.950 3.221 5.559     .  0 0 "[    .    1    .    2]" 1 
        302 1 30 GLN HG2  1 34 ARG HB2  5.500 . 6.050 4.515 4.041 4.862     .  0 0 "[    .    1    .    2]" 1 
        303 1 30 GLN HG2  1 34 ARG HG3  5.160 . 5.680 2.919 2.480 3.325     .  0 0 "[    .    1    .    2]" 1 
        304 1 13 LEU HB2  1 30 GLN HG3  4.490 . 4.940 3.117 2.526 3.695     .  0 0 "[    .    1    .    2]" 1 
        305 1 30 GLN HG3  1 34 ARG HG3  5.010 . 5.510 3.418 2.704 3.939     .  0 0 "[    .    1    .    2]" 1 
        306 1 17 ALA MB   1 30 GLN HG2  5.500 . 6.050 5.669 5.150 6.087 0.037 12 0 "[    .    1    .    2]" 1 
        307 1 30 GLN HG2  1 34 ARG HG2  5.500 . 6.050 4.158 3.644 4.710     .  0 0 "[    .    1    .    2]" 1 
        308 1 30 GLN HG3  1 34 ARG HG2  5.500 . 6.050 4.520 3.959 5.225     .  0 0 "[    .    1    .    2]" 1 
        309 1 13 LEU HB3  1 30 GLN HG2  5.000 . 5.500 4.907 4.562 5.141     .  0 0 "[    .    1    .    2]" 1 
        310 1 13 LEU HB3  1 30 GLN HG3  5.210 . 5.730 3.822 3.135 4.369     .  0 0 "[    .    1    .    2]" 1 
        311 1 10 ILE HG12 1 30 GLN HG3  5.500 . 6.050 3.658 2.818 4.235     .  0 0 "[    .    1    .    2]" 1 
        312 1 30 GLN HG3  1 33 LEU MD1  5.500 . 6.050 4.287 3.313 5.485     .  0 0 "[    .    1    .    2]" 1 
        313 1 10 ILE MG   1 30 GLN HG2  4.860 . 5.350 3.875 3.301 4.494     .  0 0 "[    .    1    .    2]" 1 
        314 1 13 LEU MD1  1 30 GLN HG2  5.210 . 5.730 4.303 3.904 4.524     .  0 0 "[    .    1    .    2]" 1 
        315 1 10 ILE MG   1 30 GLN HG3  4.680 . 5.150 2.936 2.459 3.484     .  0 0 "[    .    1    .    2]" 1 
        316 1 13 LEU MD1  1 30 GLN HG3  4.990 . 5.490 3.262 2.670 3.707     .  0 0 "[    .    1    .    2]" 1 
        317 1 10 ILE HG12 1 30 GLN HG2  5.500 . 6.050 4.728 4.023 5.357     .  0 0 "[    .    1    .    2]" 1 
        318 1  2 ILE MD   1  6 LYS HB2  4.310 . 4.740 2.897 2.191 3.296     .  0 0 "[    .    1    .    2]" 1 
        319 1 16 LYS HB2  1 22 ILE HA   4.650 . 5.120 3.796 3.414 4.189     .  0 0 "[    .    1    .    2]" 1 
        320 1 18 LYS HB3  1 19 ALA HA   4.740 . 5.210 4.524 4.396 4.690     .  0 0 "[    .    1    .    2]" 1 
        321 1 16 LYS HB2  1 16 LYS HE2  5.360 . 5.900 4.443 4.148 4.672     .  0 0 "[    .    1    .    2]" 1 
        322 1 27 LYS HB3  1 30 GLN HB3  4.560 . 5.020 4.499 3.990 5.032 0.012  6 0 "[    .    1    .    2]" 1 
        323 1 22 ILE MG   1 27 LYS HB2  4.670 . 5.140 4.752 4.504 5.135     .  0 0 "[    .    1    .    2]" 1 
        324 1 10 ILE HG13 1 33 LEU HB3  4.330 . 4.760 2.716 2.314 3.024     .  0 0 "[    .    1    .    2]" 1 
        325 1 22 ILE HA   1 26 GLU HB3  4.860 . 5.350 4.445 3.949 5.076     .  0 0 "[    .    1    .    2]" 1 
        326 1 27 LYS H    1 27 LYS QD   4.530 . 4.980 3.708 3.471 4.136     .  0 0 "[    .    1    .    2]" 1 
        327 1  9 ARG HD2  1 12 GLU HB3  5.300 . 5.830 3.004 2.120 4.467     .  0 0 "[    .    1    .    2]" 1 
        328 1  9 ARG HD2  1 12 GLU HB2  5.300 . 5.830 4.250 3.074 5.835 0.005 16 0 "[    .    1    .    2]" 1 
        329 1  9 ARG HD3  1 12 GLU HB3  5.300 . 5.830 4.312 3.079 4.930     .  0 0 "[    .    1    .    2]" 1 
        330 1  9 ARG HD3  1 12 GLU HB2  5.300 . 5.830 5.249 4.128 5.841 0.011 13 0 "[    .    1    .    2]" 1 
        331 1 24 GLU HA   1 27 LYS QD   3.670 . 4.040 2.119 1.748 2.986 0.052  6 0 "[    .    1    .    2]" 1 
        332 1  9 ARG HB3  1 33 LEU MD1  4.240 . 4.660 2.346 2.074 2.816     .  0 0 "[    .    1    .    2]" 1 
        333 1 10 ILE MG   1 34 ARG HB2  5.500 . 6.050 5.304 4.711 5.749     .  0 0 "[    .    1    .    2]" 1 
        334 1 13 LEU MD1  1 29 GLU HB3  4.310 . 4.740 2.770 2.366 3.275     .  0 0 "[    .    1    .    2]" 1 
        335 1 23 THR MG   1 24 GLU HB2  5.210 . 5.730 5.506 5.309 5.735 0.005  6 0 "[    .    1    .    2]" 1 
        336 1 17 ALA MB   1 30 GLN HB2  5.480 . 6.030 5.375 4.894 5.802     .  0 0 "[    .    1    .    2]" 1 
        337 1 24 GLU HB3  1 27 LYS QD   5.500 . 6.050 4.077 3.480 4.726     .  0 0 "[    .    1    .    2]" 1 
        338 1 30 GLN HB3  1 31 GLN HA   5.040 . 5.540 4.354 4.160 4.531     .  0 0 "[    .    1    .    2]" 1 
        339 1 18 LYS HA   1 18 LYS QD   3.870 . 4.260 4.040 2.905 4.277 0.017 14 0 "[    .    1    .    2]" 1 
        340 1 29 GLU HA   1 32 LYS QD   3.970 . 4.370 3.441 2.076 4.443 0.073  7 0 "[    .    1    .    2]" 1 
        341 1  2 ILE HA   1  6 LYS HD3  4.740 . 5.210 3.449 2.708 4.795     .  0 0 "[    .    1    .    2]" 1 
        342 1  6 LYS HD2  1 33 LEU MD2  4.260 . 4.690 3.708 3.312 4.015     .  0 0 "[    .    1    .    2]" 1 
        343 1  2 ILE HG12 1 37 TYR HA   4.930 . 5.420 4.476 2.431 5.187     .  0 0 "[    .    1    .    2]" 1 
        344 1 12 GLU HG2  1 13 LEU HG   5.460 . 6.010 4.222 3.641 5.056     .  0 0 "[    .    1    .    2]" 1 
        345 1  9 ARG HG3  1 33 LEU MD1  3.780 . 4.160 2.466 2.073 2.794     .  0 0 "[    .    1    .    2]" 1 
        346 1  9 ARG HG2  1 13 LEU MD1  4.510 . 4.960 3.365 3.112 3.612     .  0 0 "[    .    1    .    2]" 1 
        347 1  9 ARG HG2  1 33 LEU MD1  3.650 . 4.020 2.302 1.935 2.599     .  0 0 "[    .    1    .    2]" 1 
        348 1 13 LEU MD1  1 29 GLU HG2  4.350 . 4.790 2.998 2.059 3.933     .  0 0 "[    .    1    .    2]" 1 
        349 1 13 LEU MD1  1 29 GLU HB2  4.310 . 4.740 4.144 3.746 4.708     .  0 0 "[    .    1    .    2]" 1 
        350 1 13 LEU MD1  1 30 GLN HB2  3.560 . 3.920 2.079 1.862 2.387     .  0 0 "[    .    1    .    2]" 1 
        351 1  9 ARG HG3  1 13 LEU MD1  3.990 . 4.390 2.423 2.261 2.638     .  0 0 "[    .    1    .    2]" 1 
        352 1  6 LYS HD3  1 33 LEU MD2  3.920 . 4.310 2.332 1.894 2.734     .  0 0 "[    .    1    .    2]" 1 
        353 1  6 LYS HG2  1 33 LEU MD2  4.200 . 4.620 2.495 2.011 2.908     .  0 0 "[    .    1    .    2]" 1 
        354 1  6 LYS HE3  1 33 LEU MD2  4.470 . 4.920 3.911 2.578 4.706     .  0 0 "[    .    1    .    2]" 1 
        355 1 13 LEU MD2  1 26 GLU HB2  3.950 . 4.350 3.275 2.950 3.590     .  0 0 "[    .    1    .    2]" 1 
        356 1 12 GLU HG2  1 13 LEU MD2  4.690 . 5.160 3.361 2.620 4.250     .  0 0 "[    .    1    .    2]" 1 
        357 1 13 LEU MD2  1 16 LYS HE2  4.600 . 5.060 3.812 2.223 4.628     .  0 0 "[    .    1    .    2]" 1 
        358 1 13 LEU MD2  1 16 LYS HE3  4.600 . 5.060 3.283 2.721 3.774     .  0 0 "[    .    1    .    2]" 1 
        359 1 13 LEU MD2  1 26 GLU HA   4.210 . 4.630 3.470 3.032 3.736     .  0 0 "[    .    1    .    2]" 1 
        360 1 13 LEU H    1 13 LEU MD2  4.310 . 4.740 3.172 2.988 3.335     .  0 0 "[    .    1    .    2]" 1 
        361 1 16 LYS HE3  1 21 VAL MG2  4.490 . 4.940 4.782 4.180 5.046 0.106 17 0 "[    .    1    .    2]" 1 
        362 1 16 LYS HG3  1 21 VAL MG2  4.000 . 4.400 3.765 3.336 3.932     .  0 0 "[    .    1    .    2]" 1 
        363 1 16 LYS HB3  1 21 VAL MG2  3.130 . 3.440 2.381 1.956 2.707     .  0 0 "[    .    1    .    2]" 1 
        364 1 16 LYS HG2  1 21 VAL MG2  3.570 . 3.930 2.448 2.061 2.699     .  0 0 "[    .    1    .    2]" 1 
        365 1 16 LYS HB2  1 21 VAL MG2  4.010 . 4.410 3.755 3.478 3.958     .  0 0 "[    .    1    .    2]" 1 
        366 1 15 ALA MB   1 18 LYS QE   4.180 . 4.600 3.959 3.045 4.638 0.038 11 0 "[    .    1    .    2]" 1 
        367 1 11 ASN HB3  1 14 ALA MB   4.490 . 4.940 4.293 3.849 4.732     .  0 0 "[    .    1    .    2]" 1 
        368 1  7 ILE MG   1  8 ALA MB   4.360 . 4.800 4.105 3.853 4.265     .  0 0 "[    .    1    .    2]" 1 
        369 1 17 ALA MB   1 22 ILE MG   3.220 . 3.540 2.536 2.191 3.111     .  0 0 "[    .    1    .    2]" 1 
        370 1  4 ASN HA   1  7 ILE MG   4.570 . 5.030 3.887 3.629 4.307     .  0 0 "[    .    1    .    2]" 1 
        371 1 22 ILE MG   1 27 LYS HE2  4.350 . 4.790 4.221 2.127 4.815 0.025  1 0 "[    .    1    .    2]" 1 
        372 1 22 ILE MG   1 23 THR HA   5.050 . 5.560 4.229 3.905 4.410     .  0 0 "[    .    1    .    2]" 1 
        373 1  2 ILE MD   1 37 TYR HB2  3.990 . 4.390 2.220 1.916 2.668     .  0 0 "[    .    1    .    2]" 1 
        374 1  2 ILE MD   1 37 TYR HA   3.890 . 4.280 2.677 2.265 3.205     .  0 0 "[    .    1    .    2]" 1 
        375 1 22 ILE MD   1 30 GLN HB2  4.080 . 4.490 3.096 2.731 3.529     .  0 0 "[    .    1    .    2]" 1 
        376 1 16 LYS HB2  1 22 ILE MD   4.030 . 4.430 2.887 2.552 3.240     .  0 0 "[    .    1    .    2]" 1 
        377 1 22 ILE MD   1 28 ALA H    5.500 . 6.050 4.985 4.851 5.127     .  0 0 "[    .    1    .    2]" 1 
        378 1 10 ILE MD   1 33 LEU HA   4.900 . 5.390 3.899 3.740 4.284     .  0 0 "[    .    1    .    2]" 1 
        379 1  7 ILE HA   1 10 ILE MD   3.590 . 3.950 2.308 1.942 2.626     .  0 0 "[    .    1    .    2]" 1 
        380 1 10 ILE MD   1 37 TYR HB3  4.270 . 4.700 3.525 3.198 3.950     .  0 0 "[    .    1    .    2]" 1 
        381 1 10 ILE MD   1 37 TYR HB2  3.840 . 4.220 2.620 2.190 3.085     .  0 0 "[    .    1    .    2]" 1 
        382 1 10 ILE MD   1 33 LEU HB3  3.740 . 4.110 2.305 2.047 2.710     .  0 0 "[    .    1    .    2]" 1 
        383 1  7 ILE MD   1 37 TYR QE   4.560 . 5.020 3.338 1.997 4.576     .  0 0 "[    .    1    .    2]" 1 
        384 1  2 ILE MD   1  6 LYS HB3  4.310 . 4.740 2.850 2.186 3.180     .  0 0 "[    .    1    .    2]" 1 
        385 1 22 ILE MD   1 27 LYS HG3  4.220 . 4.640 2.774 2.445 3.181     .  0 0 "[    .    1    .    2]" 1 
        386 1 22 ILE MD   1 27 LYS HG2  4.220 . 4.640 2.255 1.935 2.579     .  0 0 "[    .    1    .    2]" 1 
        387 1  6 LYS HG3  1 33 LEU MD2  4.200 . 4.620 3.798 3.495 4.066     .  0 0 "[    .    1    .    2]" 1 
        388 1  2 ILE MD   1  6 LYS HG3  4.850 . 5.330 4.867 3.913 5.165     .  0 0 "[    .    1    .    2]" 1 
        389 1  2 ILE MD   1  6 LYS HG2  4.850 . 5.330 4.852 3.951 5.157     .  0 0 "[    .    1    .    2]" 1 
        390 1 10 ILE HG12 1 34 ARG HG2  4.110 . 4.520 4.125 3.719 4.539 0.019 15 0 "[    .    1    .    2]" 1 
        391 1 10 ILE HG12 1 34 ARG HG3  4.400 . 4.840 3.577 3.214 3.829     .  0 0 "[    .    1    .    2]" 1 
        392 1 10 ILE MG   1 34 ARG HG2  4.840 . 5.320 3.070 2.425 3.585     .  0 0 "[    .    1    .    2]" 1 
        393 1 10 ILE MD   1 34 ARG HG3  5.500 . 6.050 3.402 2.909 3.760     .  0 0 "[    .    1    .    2]" 1 
        394 1 10 ILE MG   1 34 ARG HG3  5.330 . 5.860 3.335 2.692 3.716     .  0 0 "[    .    1    .    2]" 1 
        395 1 10 ILE MD   1 34 ARG HG2  4.510 . 4.960 3.002 2.602 3.323     .  0 0 "[    .    1    .    2]" 1 
        396 1  7 ILE HG12 1 10 ILE MD   4.560 . 5.020 3.330 2.822 3.907     .  0 0 "[    .    1    .    2]" 1 
        397 1 10 ILE MG   1 14 ALA MB   4.020 . 4.420 2.980 2.810 3.291     .  0 0 "[    .    1    .    2]" 1 
        398 1 16 LYS HB3  1 22 ILE H    5.260 . 5.790 3.327 2.916 3.805     .  0 0 "[    .    1    .    2]" 1 
        399 1  7 ILE HG12 1 37 TYR QD   5.500 . 6.050 2.954 2.212 3.825     .  0 0 "[    .    1    .    2]" 1 
        400 1 22 ILE MG   1 27 LYS HG3  3.830 . 4.210 2.731 2.471 3.120     .  0 0 "[    .    1    .    2]" 1 
        401 1 16 LYS HB2  1 22 ILE MG   4.170 . 4.590 3.943 3.720 4.204     .  0 0 "[    .    1    .    2]" 1 
        402 1 22 ILE MG   1 27 LYS HG2  3.830 . 4.210 2.656 2.325 3.185     .  0 0 "[    .    1    .    2]" 1 
        403 1 22 ILE MG   1 27 LYS QD   3.780 . 4.160 2.584 2.168 3.934     .  0 0 "[    .    1    .    2]" 1 
        404 1 10 ILE MG   1 14 ALA HA   5.490 . 6.040 4.849 4.672 5.066     .  0 0 "[    .    1    .    2]" 1 
        405 1 14 ALA HA   1 22 ILE MD   5.500 . 6.050 4.266 3.728 4.710     .  0 0 "[    .    1    .    2]" 1 
        406 1 14 ALA HA   1 17 ALA MB   3.140 . 3.450 2.525 2.330 2.858     .  0 0 "[    .    1    .    2]" 1 
        407 1 17 ALA MB   1 22 ILE MD   3.430 . 3.770 2.565 2.233 2.785     .  0 0 "[    .    1    .    2]" 1 
        408 1 31 GLN HA   1 34 ARG HB3  4.670 . 5.140 4.264 3.910 4.621     .  0 0 "[    .    1    .    2]" 1 
        409 1 34 ARG HB3  1 35 GLN HA   5.120 . 5.630 4.522 4.356 4.616     .  0 0 "[    .    1    .    2]" 1 
        410 1 31 GLN HA   1 34 ARG HB2  3.540 . 3.890 2.675 2.337 2.951     .  0 0 "[    .    1    .    2]" 1 
        411 1  5 ALA HA   1  8 ALA H    4.090 . 4.500 3.638 3.388 4.083     .  0 0 "[    .    1    .    2]" 1 
        412 1 10 ILE MD   1 37 TYR QD   4.370 . 4.810 3.302 2.469 4.011     .  0 0 "[    .    1    .    2]" 1 
        413 1 37 TYR QD   1 38 LEU MD2  4.330 . 4.760 2.611 2.322 3.032     .  0 0 "[    .    1    .    2]" 1 
        414 1  9 ARG HB2  1 33 LEU MD1  4.240 . 4.660 3.575 3.228 3.888     .  0 0 "[    .    1    .    2]" 1 
        415 1 29 GLU HG2  1 33 LEU MD1  4.170 . 4.590 2.990 2.182 3.856     .  0 0 "[    .    1    .    2]" 1 
        416 1 22 ILE HA   1 23 THR MG   4.310 . 4.740 3.697 3.553 3.862     .  0 0 "[    .    1    .    2]" 1 
        417 1 10 ILE MD   1 33 LEU HB2  4.510 . 4.960 3.041 2.686 3.525     .  0 0 "[    .    1    .    2]" 1 
        418 1 10 ILE MG   1 33 LEU HB3  5.420 . 5.960 4.602 4.208 4.875     .  0 0 "[    .    1    .    2]" 1 
        419 1 13 LEU MD1  1 33 LEU HB3  5.500 . 6.050 5.087 4.683 5.634     .  0 0 "[    .    1    .    2]" 1 
        420 1 10 ILE MG   1 33 LEU HB2  5.500 . 6.050 4.262 4.029 4.452     .  0 0 "[    .    1    .    2]" 1 
        421 1 13 LEU MD1  1 33 LEU HB2  5.500 . 6.050 4.155 3.680 4.729     .  0 0 "[    .    1    .    2]" 1 
        422 1 37 TYR HB2  1 38 LEU HG   5.500 . 6.050 5.042 4.678 5.286     .  0 0 "[    .    1    .    2]" 1 
        423 1 38 LEU HG   1 41 PHE HB2  5.500 . 6.050 5.513 4.388 6.098 0.048 19 0 "[    .    1    .    2]" 1 
        424 1 16 LYS HB3  1 22 ILE HA   4.500 . 4.950 2.725 2.445 3.052     .  0 0 "[    .    1    .    2]" 1 
        425 1 13 LEU HA   1 16 LYS HB3  4.520 . 4.970 3.965 3.746 4.162     .  0 0 "[    .    1    .    2]" 1 
        426 1  9 ARG HD2  1 13 LEU MD1  4.880 . 5.370 3.569 2.563 4.260     .  0 0 "[    .    1    .    2]" 1 
        427 1  9 ARG HD2  1 13 LEU MD2  5.330 . 5.860 3.360 2.513 3.822     .  0 0 "[    .    1    .    2]" 1 
        428 1  9 ARG HD3  1 13 LEU MD1  4.880 . 5.370 4.355 3.567 4.796     .  0 0 "[    .    1    .    2]" 1 
        429 1  9 ARG HD3  1 13 LEU MD2  5.330 . 5.860 4.387 3.476 4.750     .  0 0 "[    .    1    .    2]" 1 
        430 1 19 ALA MB   1 21 VAL MG1  3.550 . 3.900 2.544 2.380 2.783     .  0 0 "[    .    1    .    2]" 1 
        431 1 34 ARG HA   1 37 TYR QD   5.080 . 5.590 4.053 3.611 4.480     .  0 0 "[    .    1    .    2]" 1 
        432 1 29 GLU HG3  1 33 LEU HG   4.800 . 5.280 2.940 2.300 3.641     .  0 0 "[    .    1    .    2]" 1 
        433 1 29 GLU HG2  1 33 LEU HG   4.800 . 5.280 3.617 2.379 4.834     .  0 0 "[    .    1    .    2]" 1 
        434 1 25 GLU HA   1 28 ALA MB   2.970 . 3.270 2.736 2.439 2.978     .  0 0 "[    .    1    .    2]" 1 
        435 1 31 GLN HA   1 34 ARG HG2  4.950 . 5.440 4.885 4.511 5.360     .  0 0 "[    .    1    .    2]" 1 
        436 1 31 GLN HA   1 34 ARG HG3  4.860 . 5.350 3.589 3.189 4.138     .  0 0 "[    .    1    .    2]" 1 
        437 1  2 ILE MG   1 36 GLU HA   5.030 . 5.530 4.841 4.182 5.551 0.021  2 0 "[    .    1    .    2]" 1 
        438 1  2 ILE MG   1 37 TYR HA   4.160 . 4.580 2.178 1.784 2.994 0.016 15 0 "[    .    1    .    2]" 1 
        439 1  5 ALA HA   1  8 ALA MB   3.160 . 3.480 2.825 2.530 3.104     .  0 0 "[    .    1    .    2]" 1 
        440 1 22 ILE MD   1 27 LYS HA   3.520 . 3.870 2.370 2.137 2.610     .  0 0 "[    .    1    .    2]" 1 
        441 1 14 ALA HA   1 18 LYS H    5.130 . 5.640 4.113 3.860 4.312     .  0 0 "[    .    1    .    2]" 1 
        442 1 30 GLN HG2  1 34 ARG HD2  5.220 . 5.740 2.882 1.853 4.388     .  0 0 "[    .    1    .    2]" 1 
        443 1 30 GLN HG2  1 34 ARG HD3  5.220 . 5.740 3.153 2.407 4.373     .  0 0 "[    .    1    .    2]" 1 
        444 1 12 GLU HG2  1 16 LYS HE3  4.830 . 5.310 3.280 1.934 4.908     .  0 0 "[    .    1    .    2]" 1 
        445 1 16 LYS HB3  1 21 VAL HB   5.110 . 5.620 4.694 4.223 4.999     .  0 0 "[    .    1    .    2]" 1 
        446 1 19 ALA MB   1 21 VAL HB   4.730 . 5.200 4.509 4.397 4.811     .  0 0 "[    .    1    .    2]" 1 
        447 1 18 LYS HB2  1 19 ALA MB   5.180 . 5.700 4.330 3.812 5.318     .  0 0 "[    .    1    .    2]" 1 
        448 1 18 LYS HB3  1 19 ALA MB   5.500 . 6.050 4.513 3.789 4.920     .  0 0 "[    .    1    .    2]" 1 
        449 1 13 LEU MD1  1 30 GLN HB3  4.460 . 4.910 3.417 3.185 3.638     .  0 0 "[    .    1    .    2]" 1 
        450 1 22 ILE MD   1 30 GLN HB3  4.900 . 5.390 3.522 3.004 4.018     .  0 0 "[    .    1    .    2]" 1 
        451 1  9 ARG HA   1 12 GLU HB2  4.070 . 4.480 3.285 2.662 3.585     .  0 0 "[    .    1    .    2]" 1 
        452 1 22 ILE MG   1 27 LYS HE3  4.350 . 4.790 3.588 2.298 4.219     .  0 0 "[    .    1    .    2]" 1 
        453 1 10 ILE HA   1 13 LEU MD1  4.300 . 4.730 3.108 2.536 3.620     .  0 0 "[    .    1    .    2]" 1 
        454 1 10 ILE HA   1 13 LEU HG   4.900 . 5.390 3.776 3.370 4.163     .  0 0 "[    .    1    .    2]" 1 
        455 1 13 LEU MD2  1 30 GLN HB2  4.680 . 5.150 3.861 3.546 4.070     .  0 0 "[    .    1    .    2]" 1 
        456 1 35 GLN HA   1 38 LEU H    4.020 . 4.420 3.202 2.955 3.505     .  0 0 "[    .    1    .    2]" 1 
        457 1 46 LYS HA   1 47 LEU H    3.560 . 3.920 2.544 2.132 3.329     .  0 0 "[    .    1    .    2]" 1 
        458 1  7 ILE H    1  7 ILE HB   3.220 . 3.540 2.582 2.558 2.646     .  0 0 "[    .    1    .    2]" 1 
        459 1  8 ALA H    1  8 ALA MB   2.960 . 3.260 2.239 2.233 2.253     .  0 0 "[    .    1    .    2]" 1 
        460 1 10 ILE H    1 10 ILE HB   3.230 . 3.550 2.529 2.474 2.591     .  0 0 "[    .    1    .    2]" 1 
        461 1 14 ALA H    1 14 ALA MB   2.960 . 3.260 2.247 2.236 2.257     .  0 0 "[    .    1    .    2]" 1 
        462 1 14 ALA MB   1 15 ALA H    3.060 . 3.370 2.481 2.340 2.679     .  0 0 "[    .    1    .    2]" 1 
        463 1 17 ALA H    1 17 ALA MB   2.910 . 3.200 2.246 2.234 2.263     .  0 0 "[    .    1    .    2]" 1 
        464 1 19 ALA H    1 19 ALA MB   2.870 . 3.160 2.273 2.245 2.309     .  0 0 "[    .    1    .    2]" 1 
        465 1 22 ILE H    1 22 ILE HB   3.250 . 3.580 2.710 2.545 2.879     .  0 0 "[    .    1    .    2]" 1 
        466 1 28 ALA H    1 28 ALA MB   2.940 . 3.230 2.239 2.228 2.251     .  0 0 "[    .    1    .    2]" 1 
        467 1  6 LYS H    1  6 LYS HB2  3.800 . 4.180 2.444 2.303 2.546     .  0 0 "[    .    1    .    2]" 1 
        468 1  9 ARG H    1  9 ARG HB2  3.430 . 3.770 2.510 2.449 2.573     .  0 0 "[    .    1    .    2]" 1 
        469 1 11 ASN H    1 11 ASN HB2  3.350 . 3.690 2.486 2.350 2.597     .  0 0 "[    .    1    .    2]" 1 
        470 1 12 GLU H    1 12 GLU HB2  3.270 . 3.600 2.552 2.390 2.638     .  0 0 "[    .    1    .    2]" 1 
        471 1 13 LEU H    1 13 LEU HB2  3.470 . 3.820 2.509 2.449 2.560     .  0 0 "[    .    1    .    2]" 1 
        472 1 16 LYS H    1 16 LYS HB2  3.380 . 3.720 2.501 2.397 2.636     .  0 0 "[    .    1    .    2]" 1 
        473 1 24 GLU H    1 24 GLU HB3  3.660 . 4.030 3.592 3.570 3.621     .  0 0 "[    .    1    .    2]" 1 
        474 1 24 GLU HB2  1 25 GLU H    3.340 . 3.670 2.666 2.147 3.049     .  0 0 "[    .    1    .    2]" 1 
        475 1 25 GLU H    1 25 GLU HB2  3.610 . 3.970 2.569 2.452 2.674     .  0 0 "[    .    1    .    2]" 1 
        476 1 26 GLU H    1 26 GLU HB2  3.810 . 4.190 2.496 2.419 2.581     .  0 0 "[    .    1    .    2]" 1 
        477 1 27 LYS H    1 27 LYS HB2  3.230 . 3.550 2.477 2.396 2.568     .  0 0 "[    .    1    .    2]" 1 
        478 1 29 GLU H    1 29 GLU HB2  3.350 . 3.690 2.525 2.384 2.617     .  0 0 "[    .    1    .    2]" 1 
        479 1 30 GLN H    1 30 GLN HB3  3.300 . 3.630 2.547 2.390 2.666     .  0 0 "[    .    1    .    2]" 1 
        480 1 31 GLN H    1 31 GLN HB2  3.390 . 3.730 2.526 2.430 2.614     .  0 0 "[    .    1    .    2]" 1 
        481 1 31 GLN H    1 31 GLN HB3  3.390 . 3.730 2.839 2.374 3.612     .  0 0 "[    .    1    .    2]" 1 
        482 1 32 LYS H    1 32 LYS HB2  3.240 . 3.560 2.517 2.421 2.671     .  0 0 "[    .    1    .    2]" 1 
        483 1 34 ARG H    1 34 ARG HB2  3.020 . 3.320 2.423 2.318 2.518     .  0 0 "[    .    1    .    2]" 1 
        484 1 35 GLN H    1 35 GLN HB2  3.730 . 4.100 2.465 2.228 2.582     .  0 0 "[    .    1    .    2]" 1 
        485 1 35 GLN HB3  1 36 GLU H    4.000 . 4.400 3.526 3.226 3.709     .  0 0 "[    .    1    .    2]" 1 
        486 1 37 TYR H    1 37 TYR HB3  3.470 . 3.820 2.514 2.390 2.610     .  0 0 "[    .    1    .    2]" 1 
        487 1 38 LEU HB2  1 39 LYS H    3.910 . 4.300 3.001 2.066 3.526     .  0 0 "[    .    1    .    2]" 1 
        488 1 41 PHE H    1 41 PHE HB2  3.980 . 4.380 2.592 2.364 2.830     .  0 0 "[    .    1    .    2]" 1 
        489 1  6 LYS H    1  6 LYS HB3  3.800 . 4.180 3.605 3.574 3.628     .  0 0 "[    .    1    .    2]" 1 
        490 1  9 ARG H    1  9 ARG HB3  3.430 . 3.770 2.541 2.413 2.678     .  0 0 "[    .    1    .    2]" 1 
        491 1 11 ASN H    1 11 ASN HB3  3.790 . 4.170 3.602 3.585 3.617     .  0 0 "[    .    1    .    2]" 1 
        492 1 12 GLU H    1 12 GLU HB3  3.270 . 3.600 2.490 2.369 2.642     .  0 0 "[    .    1    .    2]" 1 
        493 1 13 LEU H    1 13 LEU HB3  3.920 . 4.310 3.593 3.582 3.604     .  0 0 "[    .    1    .    2]" 1 
        494 1 16 LYS H    1 16 LYS HB3  3.600 . 3.960 3.600 3.573 3.624     .  0 0 "[    .    1    .    2]" 1 
        495 1 18 LYS H    1 18 LYS HB2  2.990 . 3.290 2.478 2.313 2.534     .  0 0 "[    .    1    .    2]" 1 
        496 1 24 GLU H    1 24 GLU HB2  3.220 . 3.540 2.602 2.523 2.678     .  0 0 "[    .    1    .    2]" 1 
        497 1 25 GLU H    1 25 GLU HB3  3.610 . 3.970 2.545 2.415 3.604     .  0 0 "[    .    1    .    2]" 1 
        498 1 26 GLU H    1 26 GLU HB3  3.810 . 4.190 3.604 3.589 3.629     .  0 0 "[    .    1    .    2]" 1 
        499 1 27 LYS H    1 27 LYS HB3  3.560 . 3.920 3.602 3.581 3.633     .  0 0 "[    .    1    .    2]" 1 
        500 1 30 GLN H    1 30 GLN HB2  3.270 . 3.600 2.523 2.411 2.668     .  0 0 "[    .    1    .    2]" 1 
        501 1 32 LYS H    1 32 LYS HB3  3.240 . 3.560 2.536 2.294 3.577 0.017 11 0 "[    .    1    .    2]" 1 
        502 1 33 LEU H    1 33 LEU HB3  3.910 . 4.300 3.595 3.577 3.614     .  0 0 "[    .    1    .    2]" 1 
        503 1 35 GLN H    1 35 GLN HB3  3.730 . 4.100 3.607 3.528 3.634     .  0 0 "[    .    1    .    2]" 1 
        504 1 36 GLU H    1 36 GLU HB3  4.040 . 4.440 3.577 3.162 3.621     .  0 0 "[    .    1    .    2]" 1 
        505 1 37 TYR H    1 37 TYR HB2  3.470 . 3.820 2.501 2.404 2.622     .  0 0 "[    .    1    .    2]" 1 
        506 1 38 LEU H    1 38 LEU HB3  3.780 . 4.160 3.613 3.596 3.636     .  0 0 "[    .    1    .    2]" 1 
        507 1 41 PHE H    1 41 PHE HB3  3.980 . 4.380 2.680 2.442 3.620     .  0 0 "[    .    1    .    2]" 1 
        508 1  6 LYS H    1  7 ILE H    2.580 . 2.840 2.657 2.511 2.816     .  0 0 "[    .    1    .    2]" 1 
        509 1  8 ALA H    1  9 ARG H    3.630 . 3.990 2.752 2.644 2.853     .  0 0 "[    .    1    .    2]" 1 
        510 1 10 ILE H    1 11 ASN H    3.600 . 3.960 2.830 2.767 2.916     .  0 0 "[    .    1    .    2]" 1 
        511 1 13 LEU H    1 14 ALA H    3.610 . 3.970 2.679 2.548 2.826     .  0 0 "[    .    1    .    2]" 1 
        512 1 14 ALA H    1 15 ALA H    3.470 . 3.820 2.731 2.597 2.841     .  0 0 "[    .    1    .    2]" 1 
        513 1 16 LYS H    1 17 ALA H    3.480 . 3.830 2.748 2.605 2.850     .  0 0 "[    .    1    .    2]" 1 
        514 1 18 LYS H    1 19 ALA H    3.290 . 3.620 2.669 2.496 2.777     .  0 0 "[    .    1    .    2]" 1 
        515 1 19 ALA H    1 20 GLY H    3.460 . 3.810 2.466 2.336 2.627     .  0 0 "[    .    1    .    2]" 1 
        516 1 20 GLY H    1 21 VAL H    3.230 . 3.550 2.512 2.171 2.710     .  0 0 "[    .    1    .    2]" 1 
        517 1 22 ILE H    1 23 THR H    5.350 . 5.890 4.552 4.465 4.619     .  0 0 "[    .    1    .    2]" 1 
        518 1 28 ALA H    1 29 GLU H    3.370 . 3.710 2.730 2.605 2.827     .  0 0 "[    .    1    .    2]" 1 
        519 1 29 GLU H    1 30 GLN H    3.300 . 3.630 2.762 2.654 2.891     .  0 0 "[    .    1    .    2]" 1 
        520 1 31 GLN H    1 32 LYS H    3.380 . 3.720 2.818 2.724 3.042     .  0 0 "[    .    1    .    2]" 1 
        521 1 33 LEU H    1 34 ARG H    3.560 . 3.920 2.697 2.582 2.784     .  0 0 "[    .    1    .    2]" 1 
        522 1 37 TYR H    1 38 LEU H    3.770 . 4.150 2.633 2.499 2.785     .  0 0 "[    .    1    .    2]" 1 
        523 1 38 LEU H    1 39 LYS H    3.660 . 4.030 2.585 2.458 2.982     .  0 0 "[    .    1    .    2]" 1 
        524 1 39 LYS H    1 40 GLY H    4.630 . 5.090 4.041 2.724 4.503     .  0 0 "[    .    1    .    2]" 1 
        525 1 14 ALA HA   1 17 ALA H    3.650 . 4.020 3.359 3.178 3.610     .  0 0 "[    .    1    .    2]" 1 
        526 1 22 ILE HA   1 23 THR H    3.170 . 3.490 2.201 2.162 2.242     .  0 0 "[    .    1    .    2]" 1 
        527 1 23 THR HA   1 24 GLU H    3.230 . 3.550 2.402 2.315 2.529     .  0 0 "[    .    1    .    2]" 1 
        528 1 27 LYS HA   1 30 GLN H    4.030 . 4.430 3.452 3.284 3.697     .  0 0 "[    .    1    .    2]" 1 
        529 1 34 ARG HA   1 37 TYR H    4.090 . 4.500 3.099 2.783 3.331     .  0 0 "[    .    1    .    2]" 1 
        530 1 47 LEU HA   1 48 GLU H    3.490 . 3.840 2.410 2.139 3.400     .  0 0 "[    .    1    .    2]" 1 
        531 1 13 LEU H    1 13 LEU HG   3.300 . 3.630 2.232 2.126 2.365     .  0 0 "[    .    1    .    2]" 1 
        532 1 33 LEU H    1 33 LEU HB2  3.080 . 3.390 2.510 2.416 2.588     .  0 0 "[    .    1    .    2]" 1 
        533 1 38 LEU H    1 38 LEU HB2  3.090 . 3.400 2.446 2.413 2.522     .  0 0 "[    .    1    .    2]" 1 
        534 1  6 LYS H    1  6 LYS HG2  3.920 . 4.310 3.560 3.373 3.908     .  0 0 "[    .    1    .    2]" 1 
        535 1  7 ILE H    1  7 ILE MG   3.940 . 4.330 3.790 3.781 3.800     .  0 0 "[    .    1    .    2]" 1 
        536 1  9 ARG H    1  9 ARG HG2  4.870 . 5.360 4.613 4.564 4.658     .  0 0 "[    .    1    .    2]" 1 
        537 1 10 ILE H    1 10 ILE MG   4.030 . 4.430 3.791 3.777 3.801     .  0 0 "[    .    1    .    2]" 1 
        538 1 12 GLU H    1 12 GLU HG2  4.530 . 4.980 4.492 4.389 4.604     .  0 0 "[    .    1    .    2]" 1 
        539 1 16 LYS H    1 16 LYS HG3  3.380 . 3.720 2.243 1.946 2.451     .  0 0 "[    .    1    .    2]" 1 
        540 1 17 ALA MB   1 18 LYS H    3.190 . 3.510 2.450 2.276 2.677     .  0 0 "[    .    1    .    2]" 1 
        541 1 21 VAL MG2  1 22 ILE H    3.240 . 3.560 3.272 2.904 3.581 0.021 16 0 "[    .    1    .    2]" 1 
        542 1 23 THR H    1 23 THR MG   3.250 . 3.580 2.365 2.109 2.635     .  0 0 "[    .    1    .    2]" 1 
        543 1 26 GLU H    1 26 GLU HG2  3.620 . 3.980 3.096 2.067 3.657     .  0 0 "[    .    1    .    2]" 1 
        544 1 29 GLU H    1 30 GLN HB3  5.400 . 5.940 4.885 4.727 5.041     .  0 0 "[    .    1    .    2]" 1 
        545 1 32 LYS H    1 32 LYS HG2  4.550 . 5.010 4.389 3.347 4.552     .  0 0 "[    .    1    .    2]" 1 
        546 1 34 ARG H    1 34 ARG HG3  3.840 . 4.220 2.432 2.235 2.755     .  0 0 "[    .    1    .    2]" 1 
        547 1 35 GLN H    1 35 GLN HG2  4.140 . 4.550 2.838 2.154 4.100     .  0 0 "[    .    1    .    2]" 1 
        548 1 36 GLU H    1 36 GLU HG2  4.280 . 4.710 2.409 2.018 3.768     .  0 0 "[    .    1    .    2]" 1 
        549 1 46 LYS H    1 46 LYS HG2  5.480 . 6.030 3.896 2.006 5.303     .  0 0 "[    .    1    .    2]" 1 
        550 1 48 GLU H    1 48 GLU HG2  4.850 . 5.330 3.544 1.794 4.799 0.006  2 0 "[    .    1    .    2]" 1 
        551 1  6 LYS H    1  6 LYS HG3  3.920 . 4.310 2.396 2.193 2.753     .  0 0 "[    .    1    .    2]" 1 
        552 1  8 ALA MB   1  9 ARG H    3.380 . 3.720 2.536 2.369 2.683     .  0 0 "[    .    1    .    2]" 1 
        553 1 12 GLU H    1 12 GLU HG3  4.740 . 5.210 4.476 4.369 4.533     .  0 0 "[    .    1    .    2]" 1 
        554 1 16 LYS H    1 16 LYS HG2  3.810 . 4.190 3.433 3.145 3.633     .  0 0 "[    .    1    .    2]" 1 
        555 1 24 GLU H    1 24 GLU HG2  3.990 . 4.390 2.633 1.899 3.154     .  0 0 "[    .    1    .    2]" 1 
        556 1 24 GLU H    1 24 GLU HG3  3.990 . 4.390 2.648 1.908 3.567     .  0 0 "[    .    1    .    2]" 1 
        557 1 26 GLU H    1 26 GLU HG3  3.620 . 3.980 2.697 2.119 3.756     .  0 0 "[    .    1    .    2]" 1 
        558 1 27 LYS H    1 27 LYS HG3  4.230 . 4.650 2.280 2.019 2.461     .  0 0 "[    .    1    .    2]" 1 
        559 1 29 GLU H    1 29 GLU HB3  3.350 . 3.690 2.531 2.402 2.661     .  0 0 "[    .    1    .    2]" 1 
        560 1 30 GLN H    1 30 GLN HG3  4.530 . 4.980 4.459 4.388 4.503     .  0 0 "[    .    1    .    2]" 1 
        561 1 32 LYS H    1 32 LYS HG3  4.550 . 5.010 4.344 1.960 4.556     .  0 0 "[    .    1    .    2]" 1 
        562 1 34 ARG H    1 34 ARG HG2  4.400 . 4.840 3.611 3.370 3.857     .  0 0 "[    .    1    .    2]" 1 
        563 1 35 GLN H    1 35 GLN HG3  4.140 . 4.550 3.592 2.250 4.113     .  0 0 "[    .    1    .    2]" 1 
        564 1 39 LYS H    1 39 LYS HG3  4.410 . 4.850 3.469 2.200 4.542     .  0 0 "[    .    1    .    2]" 1 
        565 1 46 LYS H    1 46 LYS HG3  5.480 . 6.030 3.979 2.369 4.992     .  0 0 "[    .    1    .    2]" 1 
        566 1 48 GLU H    1 48 GLU HG3  4.850 . 5.330 3.578 2.142 5.267     .  0 0 "[    .    1    .    2]" 1 
        567 1  7 ILE H    1  7 ILE MD   4.310 . 4.740 3.581 3.529 3.656     .  0 0 "[    .    1    .    2]" 1 
        568 1 10 ILE H    1 10 ILE MD   4.080 . 4.490 3.628 3.572 3.728     .  0 0 "[    .    1    .    2]" 1 
        569 1 13 LEU H    1 13 LEU MD1  3.780 . 4.160 3.650 3.490 3.736     .  0 0 "[    .    1    .    2]" 1 
        570 1 22 ILE H    1 22 ILE MD   4.470 . 4.920 4.480 4.403 4.584     .  0 0 "[    .    1    .    2]" 1 
        571 1 33 LEU H    1 33 LEU MD1  3.930 . 4.320 3.630 3.506 3.728     .  0 0 "[    .    1    .    2]" 1 
        572 1 37 TYR H    1 37 TYR QD   4.710 . 5.180 4.197 4.177 4.229     .  0 0 "[    .    1    .    2]" 1 
        573 1 38 LEU H    1 38 LEU MD1  3.950 . 4.350 3.724 3.616 3.843     .  0 0 "[    .    1    .    2]" 1 
        574 1 41 PHE H    1 41 PHE QD   5.030 . 5.530 4.019 2.360 4.261     .  0 0 "[    .    1    .    2]" 1 
        575 1 47 LEU H    1 47 LEU MD1  5.470 . 6.020 3.943 1.981 4.965     .  0 0 "[    .    1    .    2]" 1 
        576 1  9 ARG H    1  9 ARG HD2  5.390 . 5.930 4.795 4.403 5.806     .  0 0 "[    .    1    .    2]" 1 
        577 1 33 LEU H    1 33 LEU MD2  4.170 . 4.590 3.223 2.968 3.564     .  0 0 "[    .    1    .    2]" 1 
        578 1 34 ARG H    1 34 ARG HD2  5.200 . 5.720 4.670 4.136 4.939     .  0 0 "[    .    1    .    2]" 1 
        579 1 38 LEU H    1 38 LEU MD2  4.200 . 4.620 3.454 3.221 3.646     .  0 0 "[    .    1    .    2]" 1 
        580 1 47 LEU H    1 47 LEU MD2  5.470 . 6.020 3.596 1.736 5.069 0.064 11 0 "[    .    1    .    2]" 1 
        581 1  6 LYS H    1  7 ILE HG13 4.210 . 4.630 4.206 4.065 4.431     .  0 0 "[    .    1    .    2]" 1 
        582 1  9 ARG H    1  9 ARG HD3  5.390 . 5.930 4.684 4.385 4.902     .  0 0 "[    .    1    .    2]" 1 
        583 1 15 ALA MB   1 16 LYS H    3.100 . 3.410 2.437 2.318 2.658     .  0 0 "[    .    1    .    2]" 1 
        584 1 18 LYS H    1 18 LYS QD   4.730 . 5.200 4.067 2.157 4.723     .  0 0 "[    .    1    .    2]" 1 
        585 1 32 LYS H    1 32 LYS QD   4.730 . 5.200 4.424 3.549 4.794     .  0 0 "[    .    1    .    2]" 1 
        586 1 34 ARG H    1 34 ARG HD3  5.200 . 5.720 4.312 3.808 4.942     .  0 0 "[    .    1    .    2]" 1 
        587 1  7 ILE H    1  7 ILE HG13 3.370 . 3.710 2.057 1.947 2.157     .  0 0 "[    .    1    .    2]" 1 
        588 1 10 ILE H    1 10 ILE HG13 3.340 . 3.670 2.195 2.043 2.302     .  0 0 "[    .    1    .    2]" 1 
        589 1 22 ILE H    1 22 ILE HG12 4.620 . 5.080 4.493 4.439 4.544     .  0 0 "[    .    1    .    2]" 1 
        590 1  7 ILE H    1  7 ILE HG12 3.760 . 4.140 3.296 3.190 3.357     .  0 0 "[    .    1    .    2]" 1 
        591 1 10 ILE H    1 10 ILE HG12 3.810 . 4.190 3.439 3.292 3.592     .  0 0 "[    .    1    .    2]" 1 
        592 1 10 ILE H    1 33 LEU MD1  4.190 . 4.610 3.237 2.836 3.660     .  0 0 "[    .    1    .    2]" 1 
        593 1 22 ILE H    1 22 ILE HG13 4.620 . 5.080 4.535 4.446 4.618     .  0 0 "[    .    1    .    2]" 1 
        594 1 21 VAL H    1 21 VAL MG2  2.970 . 3.270 2.016 1.930 2.090     .  0 0 "[    .    1    .    2]" 1 
        595 1 11 ASN HB2  1 11 ASN HD22 3.930 . 4.320 3.487 3.472 3.503     .  0 0 "[    .    1    .    2]" 1 
        596 1 18 LYS H    1 20 GLY H    4.780 . 5.260 3.915 3.763 4.143     .  0 0 "[    .    1    .    2]" 1 
        597 1 23 THR H    1 26 GLU HB2  3.970 . 4.370 2.570 2.312 2.928     .  0 0 "[    .    1    .    2]" 1 
        598 1 23 THR H    1 26 GLU HG3  4.770 . 5.250 3.266 2.681 3.841     .  0 0 "[    .    1    .    2]" 1 
        599 1 22 ILE HG12 1 23 THR H    3.730 . 4.100 2.943 2.514 3.196     .  0 0 "[    .    1    .    2]" 1 
        600 1 22 ILE HG13 1 23 THR H    3.730 . 4.100 2.952 2.710 3.129     .  0 0 "[    .    1    .    2]" 1 
        601 1 22 ILE MG   1 23 THR H    4.300 . 4.730 3.926 3.686 4.083     .  0 0 "[    .    1    .    2]" 1 
        602 1 24 GLU H    1 27 LYS QD   5.090 . 5.600 4.005 3.574 4.864     .  0 0 "[    .    1    .    2]" 1 
        603 1 23 THR MG   1 24 GLU H    4.090 . 4.500 3.673 3.525 3.848     .  0 0 "[    .    1    .    2]" 1 
        604 1 23 THR HB   1 24 GLU H    2.990 . 3.290 2.371 2.165 2.647     .  0 0 "[    .    1    .    2]" 1 
        605 1 24 GLU H    1 25 GLU H    4.020 . 4.420 2.783 2.600 3.048     .  0 0 "[    .    1    .    2]" 1 
        606 1 25 GLU H    1 28 ALA MB   5.140 . 5.650 4.796 4.538 5.026     .  0 0 "[    .    1    .    2]" 1 
        607 1 23 THR MG   1 25 GLU H    4.740 . 5.210 4.429 4.231 4.940     .  0 0 "[    .    1    .    2]" 1 
        608 1 23 THR HA   1 25 GLU H    4.690 . 5.160 4.432 4.071 5.000     .  0 0 "[    .    1    .    2]" 1 
        609 1 25 GLU H    1 26 GLU H    3.600 . 3.960 2.763 2.662 2.917     .  0 0 "[    .    1    .    2]" 1 
        610 1 30 GLN H    1 31 GLN H    3.350 . 3.690 2.848 2.763 2.992     .  0 0 "[    .    1    .    2]" 1 
        611 1 26 GLU HA   1 30 GLN H    4.670 . 5.140 3.907 3.556 4.130     .  0 0 "[    .    1    .    2]" 1 
        612 1 13 LEU HB2  1 30 GLN H    5.500 . 6.050 5.187 4.759 5.954     .  0 0 "[    .    1    .    2]" 1 
        613 1 30 GLN H    1 33 LEU HB2  5.500 . 6.050 5.232 4.931 5.571     .  0 0 "[    .    1    .    2]" 1 
        614 1 28 ALA MB   1 30 GLN H    5.060 . 5.570 4.609 4.440 4.811     .  0 0 "[    .    1    .    2]" 1 
        615 1 30 GLN H    1 33 LEU MD1  5.060 . 5.570 4.365 3.738 5.176     .  0 0 "[    .    1    .    2]" 1 
        616 1 13 LEU MD1  1 30 GLN H    3.680 . 4.050 2.632 2.363 3.067     .  0 0 "[    .    1    .    2]" 1 
        617 1 13 LEU H    1 14 ALA MB   4.390 . 4.830 4.349 4.235 4.478     .  0 0 "[    .    1    .    2]" 1 
        618 1 12 GLU HB2  1 13 LEU H    4.030 . 4.430 3.755 3.644 3.859     .  0 0 "[    .    1    .    2]" 1 
        619 1 12 GLU HB3  1 13 LEU H    4.030 . 4.430 2.343 2.157 2.470     .  0 0 "[    .    1    .    2]" 1 
        620 1 12 GLU HG2  1 13 LEU H    4.630 . 5.090 3.724 3.090 4.529     .  0 0 "[    .    1    .    2]" 1 
        621 1 10 ILE HA   1 13 LEU H    4.460 . 4.910 3.568 3.366 3.744     .  0 0 "[    .    1    .    2]" 1 
        622 1  9 ARG HA   1 13 LEU H    4.880 . 5.370 3.969 3.725 4.092     .  0 0 "[    .    1    .    2]" 1 
        623 1 23 THR H    1 27 LYS H    4.850 . 5.330 4.439 4.216 4.646     .  0 0 "[    .    1    .    2]" 1 
        624 1 25 GLU H    1 27 LYS H    4.930 . 5.420 4.044 3.773 4.326     .  0 0 "[    .    1    .    2]" 1 
        625 1 27 LYS H    1 28 ALA H    3.460 . 3.810 2.741 2.627 2.855     .  0 0 "[    .    1    .    2]" 1 
        626 1 22 ILE MD   1 27 LYS H    4.140 . 4.550 3.282 3.133 3.398     .  0 0 "[    .    1    .    2]" 1 
        627 1 29 GLU HA   1 33 LEU H    4.830 . 5.310 4.046 3.804 4.355     .  0 0 "[    .    1    .    2]" 1 
        628 1 30 GLN HA   1 33 LEU H    4.370 . 4.810 3.530 3.250 3.802     .  0 0 "[    .    1    .    2]" 1 
        629 1 30 GLN HG3  1 33 LEU H    5.500 . 6.050 5.649 5.259 6.056 0.006  1 0 "[    .    1    .    2]" 1 
        630 1 36 GLU HG2  1 37 TYR H    5.440 . 5.980 4.452 4.182 5.082     .  0 0 "[    .    1    .    2]" 1 
        631 1 36 GLU HB2  1 37 TYR H    4.110 . 4.520 2.692 2.471 3.399     .  0 0 "[    .    1    .    2]" 1 
        632 1 37 TYR H    1 38 LEU HB2  4.570 . 5.030 4.835 4.628 4.954     .  0 0 "[    .    1    .    2]" 1 
        633 1 36 GLU HB3  1 37 TYR H    4.110 . 4.520 3.574 2.933 3.873     .  0 0 "[    .    1    .    2]" 1 
        634 1  2 ILE MD   1 37 TYR H    4.460 . 4.910 2.918 2.509 3.430     .  0 0 "[    .    1    .    2]" 1 
        635 1 10 ILE MD   1 37 TYR H    4.840 . 5.320 3.849 3.519 4.237     .  0 0 "[    .    1    .    2]" 1 
        636 1  2 ILE MG   1 37 TYR H    4.890 . 5.380 4.121 3.669 4.839     .  0 0 "[    .    1    .    2]" 1 
        637 1  9 ARG HA   1 12 GLU H    4.060 . 4.470 3.396 3.082 3.657     .  0 0 "[    .    1    .    2]" 1 
        638 1 11 ASN HB2  1 12 GLU H    3.730 . 4.100 2.647 2.376 2.904     .  0 0 "[    .    1    .    2]" 1 
        639 1 11 ASN HB3  1 12 GLU H    4.080 . 4.490 3.615 3.441 3.802     .  0 0 "[    .    1    .    2]" 1 
        640 1 12 GLU H    1 13 LEU HG   5.020 . 5.520 4.582 4.339 4.772     .  0 0 "[    .    1    .    2]" 1 
        641 1 12 GLU H    1 14 ALA MB   4.670 . 5.140 4.631 4.505 4.796     .  0 0 "[    .    1    .    2]" 1 
        642 1 10 ILE MG   1 12 GLU H    5.500 . 6.050 4.948 4.711 5.167     .  0 0 "[    .    1    .    2]" 1 
        643 1 12 GLU H    1 13 LEU MD1  5.500 . 6.050 5.549 5.286 5.719     .  0 0 "[    .    1    .    2]" 1 
        644 1 12 GLU H    1 13 LEU H    3.570 . 3.930 2.824 2.625 2.904     .  0 0 "[    .    1    .    2]" 1 
        645 1 17 ALA H    1 18 LYS H    3.520 . 3.870 2.722 2.539 2.842     .  0 0 "[    .    1    .    2]" 1 
        646 1 17 ALA H    1 20 GLY H    5.500 . 6.050 4.538 4.386 4.659     .  0 0 "[    .    1    .    2]" 1 
        647 1 17 ALA H    1 19 ALA H    4.720 . 5.190 3.998 3.807 4.240     .  0 0 "[    .    1    .    2]" 1 
        648 1 16 LYS HB2  1 17 ALA H    3.620 . 3.980 2.687 2.550 2.835     .  0 0 "[    .    1    .    2]" 1 
        649 1 16 LYS HG3  1 17 ALA H    4.770 . 5.250 4.377 4.160 4.537     .  0 0 "[    .    1    .    2]" 1 
        650 1 17 ALA H    1 22 ILE HB   4.040 . 4.440 3.264 3.073 3.631     .  0 0 "[    .    1    .    2]" 1 
        651 1 17 ALA H    1 22 ILE MD   3.800 . 4.180 3.288 3.016 3.640     .  0 0 "[    .    1    .    2]" 1 
        652 1  8 ALA MB   1 10 ILE H    5.190 . 5.710 4.588 4.448 4.745     .  0 0 "[    .    1    .    2]" 1 
        653 1  9 ARG HG3  1 10 ILE H    5.370 . 5.910 3.798 3.519 4.038     .  0 0 "[    .    1    .    2]" 1 
        654 1  9 ARG HB2  1 10 ILE H    4.230 . 4.650 3.901 3.778 4.009     .  0 0 "[    .    1    .    2]" 1 
        655 1  7 ILE HA   1 10 ILE H    3.630 . 3.990 3.345 3.173 3.607     .  0 0 "[    .    1    .    2]" 1 
        656 1  8 ALA HA   1 10 ILE H    4.740 . 5.210 4.441 4.319 4.569     .  0 0 "[    .    1    .    2]" 1 
        657 1 30 GLN HA   1 34 ARG H    4.780 . 5.260 4.068 3.902 4.217     .  0 0 "[    .    1    .    2]" 1 
        658 1 30 GLN HG3  1 34 ARG H    5.100 . 5.610 4.952 4.450 5.407     .  0 0 "[    .    1    .    2]" 1 
        659 1 33 LEU HB3  1 34 ARG H    4.210 . 4.630 3.733 3.494 3.955     .  0 0 "[    .    1    .    2]" 1 
        660 1 10 ILE HG12 1 34 ARG H    4.400 . 4.840 4.124 3.789 4.486     .  0 0 "[    .    1    .    2]" 1 
        661 1 10 ILE MG   1 34 ARG H    5.320 . 5.850 4.845 4.345 5.226     .  0 0 "[    .    1    .    2]" 1 
        662 1 10 ILE MD   1 34 ARG H    5.020 . 5.520 3.723 3.353 4.038     .  0 0 "[    .    1    .    2]" 1 
        663 1 34 ARG H    1 35 GLN H    3.520 . 3.870 2.688 2.630 2.770     .  0 0 "[    .    1    .    2]" 1 
        664 1 47 LEU HB3  1 48 GLU H    5.070 . 5.580 3.915 2.766 4.482     .  0 0 "[    .    1    .    2]" 1 
        665 1 47 LEU HB2  1 48 GLU H    5.070 . 5.580 3.806 2.123 4.616     .  0 0 "[    .    1    .    2]" 1 
        666 1 47 LEU HG   1 48 GLU H    5.500 . 6.050 4.223 2.582 5.393     .  0 0 "[    .    1    .    2]" 1 
        667 1 12 GLU H    1 14 ALA H    4.420 . 4.860 4.054 3.892 4.227     .  0 0 "[    .    1    .    2]" 1 
        668 1 11 ASN HA   1 14 ALA H    4.080 . 4.490 3.556 3.199 3.944     .  0 0 "[    .    1    .    2]" 1 
        669 1 10 ILE HA   1 14 ALA H    5.010 . 5.510 3.901 3.653 4.148     .  0 0 "[    .    1    .    2]" 1 
        670 1 13 LEU HB2  1 14 ALA H    3.870 . 4.260 2.771 2.493 3.056     .  0 0 "[    .    1    .    2]" 1 
        671 1 13 LEU HG   1 14 ALA H    4.710 . 5.180 4.379 4.217 4.514     .  0 0 "[    .    1    .    2]" 1 
        672 1 13 LEU HB3  1 14 ALA H    4.360 . 4.800 3.782 3.587 4.006     .  0 0 "[    .    1    .    2]" 1 
        673 1 10 ILE MG   1 14 ALA H    4.460 . 4.910 3.919 3.719 4.072     .  0 0 "[    .    1    .    2]" 1 
        674 1 37 TYR HB3  1 38 LEU H    3.650 . 4.020 2.724 2.398 2.921     .  0 0 "[    .    1    .    2]" 1 
        675 1 37 TYR HB2  1 38 LEU H    4.130 . 4.540 3.935 3.786 4.074     .  0 0 "[    .    1    .    2]" 1 
        676 1 37 TYR QD   1 38 LEU H    4.620 . 5.080 3.750 3.152 4.104     .  0 0 "[    .    1    .    2]" 1 
        677 1 11 ASN H    1 12 GLU H    3.390 . 3.730 2.765 2.641 2.914     .  0 0 "[    .    1    .    2]" 1 
        678 1 11 ASN H    1 13 LEU H    4.960 . 5.460 4.421 4.200 4.720     .  0 0 "[    .    1    .    2]" 1 
        679 1  8 ALA HA   1 11 ASN H    4.170 . 4.590 3.471 3.310 3.709     .  0 0 "[    .    1    .    2]" 1 
        680 1 10 ILE HB   1 11 ASN H    3.460 . 3.810 2.504 2.368 2.659     .  0 0 "[    .    1    .    2]" 1 
        681 1 10 ILE HG13 1 11 ASN H    4.540 . 4.990 4.307 4.180 4.433     .  0 0 "[    .    1    .    2]" 1 
        682 1  8 ALA MB   1 11 ASN H    5.160 . 5.680 4.671 4.520 4.874     .  0 0 "[    .    1    .    2]" 1 
        683 1 11 ASN H    1 14 ALA MB   5.460 . 6.010 4.453 4.209 4.615     .  0 0 "[    .    1    .    2]" 1 
        684 1  7 ILE MG   1 11 ASN H    4.360 . 4.800 4.030 3.769 4.298     .  0 0 "[    .    1    .    2]" 1 
        685 1 10 ILE MG   1 11 ASN H    3.850 . 4.230 3.211 2.922 3.348     .  0 0 "[    .    1    .    2]" 1 
        686 1 10 ILE MD   1 11 ASN H    4.980 . 5.480 4.538 4.405 4.695     .  0 0 "[    .    1    .    2]" 1 
        687 1 18 LYS H    1 21 VAL MG2  5.430 . 5.970 5.580 5.395 5.796     .  0 0 "[    .    1    .    2]" 1 
        688 1 18 LYS H    1 22 ILE MG   5.500 . 6.050 4.894 4.711 5.183     .  0 0 "[    .    1    .    2]" 1 
        689 1 15 ALA HA   1 18 LYS H    4.040 . 4.440 3.424 3.209 3.646     .  0 0 "[    .    1    .    2]" 1 
        690 1  2 ILE HB   1  3 SER H    4.350 . 4.790 4.156 3.971 4.320     .  0 0 "[    .    1    .    2]" 1 
        691 1  3 SER H    1  6 LYS HD2  4.660 . 5.130 2.289 1.760 3.117 0.040  7 0 "[    .    1    .    2]" 1 
        692 1  2 ILE HG13 1  3 SER H    4.810 . 5.290 2.800 1.959 3.279     .  0 0 "[    .    1    .    2]" 1 
        693 1  2 ILE HG12 1  3 SER H    4.990 . 5.490 3.031 2.268 3.849     .  0 0 "[    .    1    .    2]" 1 
        694 1  2 ILE MG   1  3 SER H    4.930 . 5.420 3.909 3.424 4.211     .  0 0 "[    .    1    .    2]" 1 
        695 1  4 ASN HA   1  8 ALA H    4.440 . 4.880 3.940 3.505 4.251     .  0 0 "[    .    1    .    2]" 1 
        696 1 41 PHE HB3  1 42 ARG H    5.100 . 5.610 3.466 2.255 4.474     .  0 0 "[    .    1    .    2]" 1 
        697 1  7 ILE HB   1  8 ALA H    3.440 . 3.780 2.477 2.250 2.599     .  0 0 "[    .    1    .    2]" 1 
        698 1  7 ILE HG13 1  8 ALA H    5.350 . 5.890 4.180 4.079 4.237     .  0 0 "[    .    1    .    2]" 1 
        699 1  7 ILE HG12 1  8 ALA H    5.190 . 5.710 4.927 4.838 4.987     .  0 0 "[    .    1    .    2]" 1 
        700 1  7 ILE MG   1  8 ALA H    3.850 . 4.230 3.336 3.105 3.428     .  0 0 "[    .    1    .    2]" 1 
        701 1 41 PHE HB2  1 42 ARG H    5.100 . 5.610 4.091 3.676 4.562     .  0 0 "[    .    1    .    2]" 1 
        702 1 16 LYS H    1 21 VAL MG2  4.450 . 4.890 4.375 4.144 4.585     .  0 0 "[    .    1    .    2]" 1 
        703 1 16 LYS H    1 22 ILE MD   4.710 . 5.180 4.581 4.233 5.011     .  0 0 "[    .    1    .    2]" 1 
        704 1 13 LEU HA   1 16 LYS H    3.870 . 4.260 3.249 3.096 3.376     .  0 0 "[    .    1    .    2]" 1 
        705 1 35 GLN HB2  1 36 GLU H    4.000 . 4.400 2.598 2.288 3.020     .  0 0 "[    .    1    .    2]" 1 
        706 1 33 LEU MD2  1 36 GLU H    5.020 . 5.520 4.753 4.384 5.102     .  0 0 "[    .    1    .    2]" 1 
        707 1 33 LEU HA   1 36 GLU H    3.950 . 4.350 3.284 2.970 3.582     .  0 0 "[    .    1    .    2]" 1 
        708 1 36 GLU H    1 37 TYR H    3.660 . 4.030 2.718 2.570 2.820     .  0 0 "[    .    1    .    2]" 1 
        709 1 27 LYS H    1 29 GLU H    4.930 . 5.420 4.151 3.956 4.425     .  0 0 "[    .    1    .    2]" 1 
        710 1 26 GLU HA   1 29 GLU H    3.840 . 4.220 3.331 3.036 3.724     .  0 0 "[    .    1    .    2]" 1 
        711 1 28 ALA MB   1 29 GLU H    3.370 . 3.710 2.484 2.353 2.592     .  0 0 "[    .    1    .    2]" 1 
        712 1 13 LEU MD1  1 29 GLU H    4.660 . 5.130 4.376 4.046 4.746     .  0 0 "[    .    1    .    2]" 1 
        713 1  7 ILE H    1  8 ALA MB   4.340 . 4.770 4.423 4.351 4.496     .  0 0 "[    .    1    .    2]" 1 
        714 1  6 LYS HB2  1  7 ILE H    4.480 . 4.930 2.661 2.518 2.962     .  0 0 "[    .    1    .    2]" 1 
        715 1  4 ASN HA   1  7 ILE H    4.310 . 4.740 3.268 3.005 3.678     .  0 0 "[    .    1    .    2]" 1 
        716 1  7 ILE H    1  8 ALA H    3.560 . 3.920 2.807 2.726 2.903     .  0 0 "[    .    1    .    2]" 1 
        717 1 31 GLN H    1 33 LEU H    4.980 . 5.480 4.307 3.991 4.527     .  0 0 "[    .    1    .    2]" 1 
        718 1 27 LYS HA   1 31 GLN H    4.830 . 5.310 4.097 3.751 4.414     .  0 0 "[    .    1    .    2]" 1 
        719 1 29 GLU HA   1 31 GLN H    5.410 . 5.950 4.531 4.196 4.772     .  0 0 "[    .    1    .    2]" 1 
        720 1 30 GLN HB3  1 31 GLN H    3.510 . 3.860 2.502 2.208 2.703     .  0 0 "[    .    1    .    2]" 1 
        721 1 30 GLN HB2  1 31 GLN H    4.030 . 4.430 3.847 3.642 3.996     .  0 0 "[    .    1    .    2]" 1 
        722 1 28 ALA MB   1 31 GLN H    5.180 . 5.700 4.708 4.498 4.976     .  0 0 "[    .    1    .    2]" 1 
        723 1 13 LEU MD1  1 31 GLN H    4.930 . 5.420 4.688 4.479 4.884     .  0 0 "[    .    1    .    2]" 1 
        724 1 33 LEU H    1 35 GLN H    5.090 . 5.600 4.196 4.000 4.416     .  0 0 "[    .    1    .    2]" 1 
        725 1 35 GLN H    1 37 TYR H    5.480 . 6.030 3.970 3.851 4.133     .  0 0 "[    .    1    .    2]" 1 
        726 1 35 GLN H    1 36 GLU H    3.710 . 4.080 2.718 2.614 2.849     .  0 0 "[    .    1    .    2]" 1 
        727 1 34 ARG HB2  1 35 GLN H    3.630 . 3.990 2.810 2.576 3.126     .  0 0 "[    .    1    .    2]" 1 
        728 1 34 ARG HG3  1 35 GLN H    4.940 . 5.430 4.535 4.349 4.767     .  0 0 "[    .    1    .    2]" 1 
        729 1 34 ARG HG2  1 35 GLN H    5.210 . 5.730 5.118 5.004 5.268     .  0 0 "[    .    1    .    2]" 1 
        730 1 35 GLN H    1 38 LEU MD1  5.060 . 5.570 4.496 4.233 4.858     .  0 0 "[    .    1    .    2]" 1 
        731 1  5 ALA MB   1  6 LYS H    3.620 . 3.980 2.505 2.366 2.642     .  0 0 "[    .    1    .    2]" 1 
        732 1 26 GLU H    1 28 ALA MB   4.850 . 5.330 4.873 4.675 5.131     .  0 0 "[    .    1    .    2]" 1 
        733 1 23 THR MG   1 26 GLU H    4.630 . 5.090 4.302 3.930 4.668     .  0 0 "[    .    1    .    2]" 1 
        734 1 22 ILE MD   1 26 GLU H    5.000 . 5.500 4.814 4.401 5.017     .  0 0 "[    .    1    .    2]" 1 
        735 1 24 GLU HA   1 26 GLU H    4.800 . 5.280 4.568 4.296 4.719     .  0 0 "[    .    1    .    2]" 1 
        736 1 26 GLU H    1 27 LYS H    3.510 . 3.860 2.689 2.582 2.798     .  0 0 "[    .    1    .    2]" 1 
        737 1 23 THR H    1 26 GLU H    4.330 . 4.760 3.826 3.659 3.987     .  0 0 "[    .    1    .    2]" 1 
        738 1 11 ASN HA   1 15 ALA H    4.810 . 5.290 4.089 3.712 4.422     .  0 0 "[    .    1    .    2]" 1 
        739 1 13 LEU HB2  1 15 ALA H    5.500 . 6.050 5.235 5.006 5.467     .  0 0 "[    .    1    .    2]" 1 
        740 1 15 ALA H    1 18 LYS HB2  5.500 . 6.050 5.387 4.984 5.972     .  0 0 "[    .    1    .    2]" 1 
        741 1 15 ALA H    1 16 LYS HG3  4.830 . 5.310 4.535 4.194 4.781     .  0 0 "[    .    1    .    2]" 1 
        742 1 15 ALA H    1 16 LYS H    3.320 . 3.650 2.738 2.660 2.822     .  0 0 "[    .    1    .    2]" 1 
        743 1 13 LEU H    1 15 ALA H    4.920 . 5.410 4.279 4.022 4.449     .  0 0 "[    .    1    .    2]" 1 
        744 1 15 ALA H    1 17 ALA H    4.670 . 5.140 4.049 3.876 4.174     .  0 0 "[    .    1    .    2]" 1 
        745 1 38 LEU MD1  1 39 LYS H    5.420 . 5.960 4.851 4.019 5.270     .  0 0 "[    .    1    .    2]" 1 
        746 1 38 LEU MD2  1 39 LYS H    5.500 . 6.050 4.710 4.467 4.793     .  0 0 "[    .    1    .    2]" 1 
        747 1 39 LYS H    1 39 LYS HG2  4.410 . 4.850 2.695 1.995 3.904     .  0 0 "[    .    1    .    2]" 1 
        748 1  9 ARG H    1 10 ILE H    3.710 . 4.080 2.756 2.640 2.896     .  0 0 "[    .    1    .    2]" 1 
        749 1  7 ILE HA   1  9 ARG H    5.040 . 5.540 4.410 4.251 4.590     .  0 0 "[    .    1    .    2]" 1 
        750 1  9 ARG H    1 33 LEU MD1  4.580 . 5.040 4.327 4.007 4.767     .  0 0 "[    .    1    .    2]" 1 
        751 1 16 LYS HA   1 20 GLY H    4.250 . 4.680 4.166 3.817 4.369     .  0 0 "[    .    1    .    2]" 1 
        752 1 17 ALA HA   1 20 GLY H    4.420 . 4.860 3.307 3.093 3.615     .  0 0 "[    .    1    .    2]" 1 
        753 1 18 LYS HB2  1 20 GLY H    5.500 . 6.050 5.100 4.743 5.689     .  0 0 "[    .    1    .    2]" 1 
        754 1 18 LYS HB3  1 20 GLY H    5.500 . 6.050 5.298 4.704 5.833     .  0 0 "[    .    1    .    2]" 1 
        755 1 19 ALA MB   1 20 GLY H    3.750 . 4.130 2.961 2.433 3.162     .  0 0 "[    .    1    .    2]" 1 
        756 1 20 GLY H    1 21 VAL MG1  4.760 . 5.240 4.199 3.672 4.413     .  0 0 "[    .    1    .    2]" 1 
        757 1 20 GLY H    1 21 VAL MG2  5.140 . 5.650 3.760 3.377 3.970     .  0 0 "[    .    1    .    2]" 1 
        758 1 20 GLY H    1 22 ILE MG   5.450 . 6.000 3.869 3.653 4.063     .  0 0 "[    .    1    .    2]" 1 
        759 1 20 GLY H    1 22 ILE H    4.970 . 5.470 3.880 3.550 4.094     .  0 0 "[    .    1    .    2]" 1 
        760 1 31 GLN HG2  1 32 LYS H    5.500 . 6.050 3.942 2.886 5.031     .  0 0 "[    .    1    .    2]" 1 
        761 1 31 GLN HG3  1 32 LYS H    5.500 . 6.050 4.455 3.542 4.841     .  0 0 "[    .    1    .    2]" 1 
        762 1 30 GLN HB3  1 32 LYS H    5.500 . 6.050 5.108 4.858 5.351     .  0 0 "[    .    1    .    2]" 1 
        763 1 29 GLU HA   1 32 LYS H    4.200 . 4.620 3.459 2.959 3.638     .  0 0 "[    .    1    .    2]" 1 
        764 1 32 LYS H    1 33 LEU H    3.500 . 3.850 2.861 2.721 3.039     .  0 0 "[    .    1    .    2]" 1 
        765 1 30 GLN H    1 32 LYS H    5.160 . 5.680 4.320 4.119 4.511     .  0 0 "[    .    1    .    2]" 1 
        766 1 19 ALA MB   1 21 VAL H    3.710 . 4.080 2.681 2.488 3.032     .  0 0 "[    .    1    .    2]" 1 
        767 1 21 VAL H    1 22 ILE HB   4.450 . 4.890 4.358 3.952 4.659     .  0 0 "[    .    1    .    2]" 1 
        768 1 19 ALA HA   1 21 VAL H    5.300 . 5.830 4.562 4.296 5.241     .  0 0 "[    .    1    .    2]" 1 
        769 1 21 VAL H    1 22 ILE HA   5.500 . 6.050 4.833 4.494 5.109     .  0 0 "[    .    1    .    2]" 1 
        770 1 16 LYS HA   1 21 VAL H    4.230 . 4.650 3.469 3.258 3.636     .  0 0 "[    .    1    .    2]" 1 
        771 1 17 ALA HA   1 21 VAL H    4.870 . 5.360 4.388 3.865 4.946     .  0 0 "[    .    1    .    2]" 1 
        772 1 21 VAL H    1 22 ILE H    3.200 . 3.520 2.573 2.089 2.991     .  0 0 "[    .    1    .    2]" 1 
        773 1 13 LEU HB2  1 30 GLN HE21 5.080 . 5.590 3.822 1.924 5.479     .  0 0 "[    .    1    .    2]" 1 
        774 1 17 ALA MB   1 30 GLN HE21 4.010 . 4.410 3.995 3.548 4.420 0.010  2 0 "[    .    1    .    2]" 1 
        775 1 13 LEU HB3  1 30 GLN HE21 5.120 . 5.630 3.783 2.100 5.508     .  0 0 "[    .    1    .    2]" 1 
        776 1 14 ALA HA   1 30 GLN HE21 4.230 . 4.650 3.991 2.522 4.770 0.120  4 0 "[    .    1    .    2]" 1 
        777 1 28 ALA H    1 30 GLN H    4.710 . 5.180 4.212 4.012 4.496     .  0 0 "[    .    1    .    2]" 1 
        778 1 25 GLU HA   1 28 ALA H    4.020 . 4.420 3.467 3.186 3.776     .  0 0 "[    .    1    .    2]" 1 
        779 1 28 ALA H    1 30 GLN HB3  5.500 . 6.050 5.126 4.710 5.418     .  0 0 "[    .    1    .    2]" 1 
        780 1 27 LYS HB2  1 28 ALA H    3.480 . 3.830 2.562 2.329 2.876     .  0 0 "[    .    1    .    2]" 1 
        781 1 27 LYS QD   1 28 ALA H    5.500 . 6.050 4.728 4.450 5.094     .  0 0 "[    .    1    .    2]" 1 
        782 1  7 ILE MG   1 11 ASN HD21 3.900 . 4.290 3.111 2.425 3.949     .  0 0 "[    .    1    .    2]" 1 
        783 1  8 ALA HA   1 11 ASN HD21 4.720 . 5.190 2.446 1.916 3.060     .  0 0 "[    .    1    .    2]" 1 
        784 1  7 ILE MG   1 11 ASN HD22 3.900 . 4.290 2.451 1.979 2.889     .  0 0 "[    .    1    .    2]" 1 
        785 1  8 ALA HA   1 11 ASN HD22 4.720 . 5.190 3.676 3.133 4.560     .  0 0 "[    .    1    .    2]" 1 
        786 1 21 VAL HB   1 22 ILE H    4.850 . 5.330 4.397 4.274 4.490     .  0 0 "[    .    1    .    2]" 1 
        787 1 16 LYS HB2  1 22 ILE H    4.900 . 5.390 4.573 4.016 5.067     .  0 0 "[    .    1    .    2]" 1 
        788 1 17 ALA MB   1 22 ILE H    5.500 . 6.050 4.933 4.620 5.407     .  0 0 "[    .    1    .    2]" 1 
        789 1 19 ALA MB   1 22 ILE H    5.350 . 5.890 4.735 4.379 5.072     .  0 0 "[    .    1    .    2]" 1 
        790 1 16 LYS HA   1 22 ILE H    4.350 . 4.790 4.477 4.121 4.817 0.027 13 0 "[    .    1    .    2]" 1 
        791 1 23 THR HB   1 25 GLU H    3.300 . 3.630 2.944 2.653 3.644 0.014  4 0 "[    .    1    .    2]" 1 
        792 1 29 GLU HB2  1 30 GLN H    4.030 . 4.430 3.838 3.678 4.001     .  0 0 "[    .    1    .    2]" 1 
        793 1 15 ALA HA   1 19 ALA H    5.130 . 5.640 4.115 3.938 4.306     .  0 0 "[    .    1    .    2]" 1 
        794 1 19 ALA H    1 20 GLY HA2  5.500 . 6.050 4.772 4.632 4.888     .  0 0 "[    .    1    .    2]" 1 
        795 1 19 ALA H    1 21 VAL MG2  4.420 . 4.860 4.002 3.792 4.380     .  0 0 "[    .    1    .    2]" 1 
        796 1 14 ALA HA   1 30 GLN HE22 4.230 . 4.650 2.899 2.125 3.642     .  0 0 "[    .    1    .    2]" 1 
        797 1 17 ALA MB   1 30 GLN HE22 4.010 . 4.410 2.696 2.215 3.073     .  0 0 "[    .    1    .    2]" 1 
        798 1 13 LEU HB3  1 30 GLN HE22 5.120 . 5.630 3.941 3.030 5.027     .  0 0 "[    .    1    .    2]" 1 
        799 1 13 LEU HB2  1 30 GLN HE22 5.080 . 5.590 4.278 3.312 5.340     .  0 0 "[    .    1    .    2]" 1 
        800 1 22 ILE MD   1 23 THR H    4.210 . 4.630 4.299 4.019 4.483     .  0 0 "[    .    1    .    2]" 1 
        801 1 11 ASN HA   1 13 LEU H    5.400 . 5.940 4.735 4.445 5.073     .  0 0 "[    .    1    .    2]" 1 
        802 1 31 GLN HA   1 34 ARG H    3.920 . 4.310 3.524 3.385 3.780     .  0 0 "[    .    1    .    2]" 1 
        803 1  2 ILE HB   1 36 GLU H    5.500 . 6.050 5.102 4.766 5.582     .  0 0 "[    .    1    .    2]" 1 
        804 1 31 GLN H    1 34 ARG HB2  5.500 . 6.050 5.077 4.703 5.321     .  0 0 "[    .    1    .    2]" 1 
        805 1 36 GLU HA   1 39 LYS H    4.180 . 4.600 3.618 3.152 4.492     .  0 0 "[    .    1    .    2]" 1 
        806 1  6 LYS HA   1  9 ARG H    3.800 . 4.180 3.321 3.003 3.580     .  0 0 "[    .    1    .    2]" 1 
        807 1 16 LYS HA   1 19 ALA H    3.880 . 4.270 3.456 3.298 3.690     .  0 0 "[    .    1    .    2]" 1 
        808 1 15 ALA HA   1 17 ALA H    5.020 . 5.520 4.321 4.195 4.532     .  0 0 "[    .    1    .    2]" 1 
        809 1  9 ARG HB2  1  9 ARG HE   5.230 . 5.750 4.299 2.400 4.794     .  0 0 "[    .    1    .    2]" 1 
        810 1  9 ARG HB3  1  9 ARG HE   5.230 . 5.750 4.646 3.671 5.197     .  0 0 "[    .    1    .    2]" 1 
        811 1  9 ARG HE   1  9 ARG HG2  3.790 . 4.170 2.657 2.262 3.556     .  0 0 "[    .    1    .    2]" 1 
        812 1  9 ARG HE   1  9 ARG HG3  4.060 . 4.470 2.798 2.491 3.585     .  0 0 "[    .    1    .    2]" 1 
        813 1  9 ARG HE   1 33 LEU MD1  4.800 . 5.280 3.846 3.255 4.939     .  0 0 "[    .    1    .    2]" 1 
        814 1  9 ARG HE   1 13 LEU MD1  4.900 . 5.390 2.826 2.172 4.595     .  0 0 "[    .    1    .    2]" 1 
        815 1  9 ARG HE   1 13 LEU MD2  5.500 . 6.050 3.006 1.786 5.235 0.014 19 0 "[    .    1    .    2]" 1 
        816 1 22 ILE HG12 1 27 LYS H    4.190 . 4.610 2.947 2.774 3.171     .  0 0 "[    .    1    .    2]" 1 
        817 1 22 ILE HG13 1 27 LYS H    4.190 . 4.610 4.048 3.800 4.386     .  0 0 "[    .    1    .    2]" 1 
        818 1 23 THR H    1 26 GLU HA   5.500 . 6.050 5.405 5.167 5.692     .  0 0 "[    .    1    .    2]" 1 
        819 1 27 LYS H    1 30 GLN H    5.190 . 5.710 4.639 4.492 4.730     .  0 0 "[    .    1    .    2]" 1 
        820 1 32 LYS H    1 34 ARG H    5.130 . 5.640 4.173 3.963 4.352     .  0 0 "[    .    1    .    2]" 1 
        821 1 23 THR H    1 26 GLU HG2  4.770 . 5.250 4.143 3.056 5.093     .  0 0 "[    .    1    .    2]" 1 
        822 1 34 ARG H    1 36 GLU H    5.120 . 5.630 4.164 3.956 4.526     .  0 0 "[    .    1    .    2]" 1 
        823 1 23 THR H    1 26 GLU HB3  3.970 . 4.370 3.978 3.707 4.379 0.009  8 0 "[    .    1    .    2]" 1 
        824 1  2 ILE HA   1  6 LYS QE   5.340 . 5.870 4.039 3.293 5.077     .  0 0 "[    .    1    .    2]" 1 
        825 1  2 ILE MG   1  6 LYS QB   4.780 . 5.260 4.257 4.054 4.634     .  0 0 "[    .    1    .    2]" 1 
        826 1  2 ILE MG   1 36 GLU QB   4.360 . 4.800 3.602 2.825 4.268     .  0 0 "[    .    1    .    2]" 1 
        827 1  2 ILE HG12 1  6 LYS QB   4.380 . 4.820 2.687 2.168 4.154     .  0 0 "[    .    1    .    2]" 1 
        828 1  2 ILE HG12 1 36 GLU QB   5.340 . 5.870 4.356 3.768 4.828     .  0 0 "[    .    1    .    2]" 1 
        829 1  2 ILE HG13 1  6 LYS QB   4.410 . 4.850 2.096 1.749 3.024 0.051  8 0 "[    .    1    .    2]" 1 
        830 1  2 ILE HG13 1 36 GLU QG   5.270 . 5.800 4.619 3.547 5.897 0.097 18 0 "[    .    1    .    2]" 1 
        831 1  2 ILE MD   1  6 LYS QB   3.490 . 3.840 2.551 1.950 2.785     .  0 0 "[    .    1    .    2]" 1 
        832 1  2 ILE MD   1  6 LYS QG   4.050 . 4.460 4.327 3.503 4.585 0.125  7 0 "[    .    1    .    2]" 1 
        833 1  2 ILE MD   1 36 GLU QB   4.100 . 4.510 2.743 2.021 3.353     .  0 0 "[    .    1    .    2]" 1 
        834 1  2 ILE MD   1 36 GLU QG   4.570 . 5.030 4.284 3.499 4.919     .  0 0 "[    .    1    .    2]" 1 
        835 1  3 SER QB   1  5 ALA MB   4.400 . 4.840 3.281 2.747 3.732     .  0 0 "[    .    1    .    2]" 1 
        836 1  3 SER QB   1  6 LYS QG   5.090 . 5.600 3.313 2.017 4.166     .  0 0 "[    .    1    .    2]" 1 
        837 1  6 LYS H    1  6 LYS QB   3.230 . 3.550 2.406 2.277 2.498     .  0 0 "[    .    1    .    2]" 1 
        838 1  6 LYS H    1  6 LYS QG   3.420 . 3.760 2.360 2.167 2.701     .  0 0 "[    .    1    .    2]" 1 
        839 1  6 LYS HA   1  6 LYS QG   2.990 . 3.290 2.408 2.333 2.490     .  0 0 "[    .    1    .    2]" 1 
        840 1  6 LYS QB   1  6 LYS HD2  3.600 . 3.960 2.441 2.378 2.519     .  0 0 "[    .    1    .    2]" 1 
        841 1  6 LYS QB   1  6 LYS HD3  2.730 . 3.000 2.375 2.323 2.448     .  0 0 "[    .    1    .    2]" 1 
        842 1  6 LYS QB   1  7 ILE H    3.670 . 4.040 2.593 2.465 2.841     .  0 0 "[    .    1    .    2]" 1 
        843 1  6 LYS QB   1 33 LEU MD2  3.620 . 3.980 2.167 1.841 2.568     .  0 0 "[    .    1    .    2]" 1 
        844 1  6 LYS QE   1  6 LYS QG   3.100 . 3.410 2.229 2.134 2.400     .  0 0 "[    .    1    .    2]" 1 
        845 1  6 LYS QG   1 33 LEU MD2  3.620 . 3.980 2.460 1.999 2.848     .  0 0 "[    .    1    .    2]" 1 
        846 1  6 LYS HD3  1 36 GLU QB   4.210 . 4.630 3.357 2.741 4.405     .  0 0 "[    .    1    .    2]" 1 
        847 1  6 LYS HD3  1 36 GLU QG   4.590 . 5.050 3.108 2.438 4.383     .  0 0 "[    .    1    .    2]" 1 
        848 1  6 LYS QE   1 33 LEU MD2  3.600 . 3.960 3.090 2.403 3.972 0.012 14 0 "[    .    1    .    2]" 1 
        849 1  6 LYS QE   1 36 GLU QG   3.860 . 4.250 3.760 2.022 4.395 0.145  9 0 "[    .    1    .    2]" 1 
        850 1  7 ILE HB   1 11 ASN QD   5.240 . 5.760 4.365 4.000 4.796     .  0 0 "[    .    1    .    2]" 1 
        851 1  7 ILE MG   1 11 ASN QD   3.400 . 3.740 2.343 1.950 2.821     .  0 0 "[    .    1    .    2]" 1 
        852 1  8 ALA HA   1 11 ASN QD   4.040 . 4.440 2.410 1.904 3.015     .  0 0 "[    .    1    .    2]" 1 
        853 1  8 ALA MB   1 11 ASN QD   5.100 . 5.610 3.786 3.297 4.417     .  0 0 "[    .    1    .    2]" 1 
        854 1  9 ARG H    1  9 ARG QD   4.610 . 5.070 4.194 4.060 4.391     .  0 0 "[    .    1    .    2]" 1 
        855 1  9 ARG HA   1  9 ARG QD   3.310 . 3.640 2.136 1.898 2.425     .  0 0 "[    .    1    .    2]" 1 
        856 1  9 ARG HA   1 12 GLU QB   3.530 . 3.880 2.485 2.097 2.857     .  0 0 "[    .    1    .    2]" 1 
        857 1  9 ARG QB   1  9 ARG HG2  2.420 . 2.660 2.166 2.155 2.172     .  0 0 "[    .    1    .    2]" 1 
        858 1  9 ARG QB   1  9 ARG QD   3.270 . 3.600 2.358 2.247 2.697     .  0 0 "[    .    1    .    2]" 1 
        859 1  9 ARG QB   1  9 ARG HE   4.470 . 4.920 3.948 2.370 4.426     .  0 0 "[    .    1    .    2]" 1 
        860 1  9 ARG QB   1 10 ILE H    3.620 . 3.980 2.575 2.372 2.776     .  0 0 "[    .    1    .    2]" 1 
        861 1  9 ARG QB   1 11 ASN H    5.030 . 5.530 4.910 4.772 5.149     .  0 0 "[    .    1    .    2]" 1 
        862 1  9 ARG QB   1 13 LEU MD1  5.340 . 5.870 4.038 3.834 4.344     .  0 0 "[    .    1    .    2]" 1 
        863 1  9 ARG QB   1 33 LEU MD1  3.700 . 4.070 2.315 2.058 2.754     .  0 0 "[    .    1    .    2]" 1 
        864 1  9 ARG QD   1 12 GLU QB   3.870 . 4.260 2.795 2.071 3.294     .  0 0 "[    .    1    .    2]" 1 
        865 1  9 ARG QD   1 13 LEU H    5.080 . 5.590 3.982 3.784 4.220     .  0 0 "[    .    1    .    2]" 1 
        866 1  9 ARG QD   1 13 LEU HG   4.290 . 4.720 2.943 2.441 3.446     .  0 0 "[    .    1    .    2]" 1 
        867 1  9 ARG QD   1 33 LEU MD1  5.200 . 5.720 3.872 3.539 4.153     .  0 0 "[    .    1    .    2]" 1 
        868 1  9 ARG HE   1 29 GLU QB   5.340 . 5.870 4.584 3.860 5.880 0.010 16 0 "[    .    1    .    2]" 1 
        869 1 10 ILE MG   1 30 GLN QE   5.020 . 5.520 4.107 2.747 5.528 0.008 14 0 "[    .    1    .    2]" 1 
        870 1 11 ASN H    1 11 ASN QD   4.940 . 5.430 2.999 2.107 3.486     .  0 0 "[    .    1    .    2]" 1 
        871 1 12 GLU QB   1 13 LEU H    3.390 . 3.730 2.320 2.142 2.440     .  0 0 "[    .    1    .    2]" 1 
        872 1 12 GLU QB   1 13 LEU HG   4.790 . 5.270 3.153 2.949 3.387     .  0 0 "[    .    1    .    2]" 1 
        873 1 12 GLU QB   1 13 LEU MD2  5.340 . 5.870 3.614 3.262 3.959     .  0 0 "[    .    1    .    2]" 1 
        874 1 12 GLU HG2  1 16 LYS QD   4.770 . 5.250 3.417 1.933 5.123     .  0 0 "[    .    1    .    2]" 1 
        875 1 12 GLU HG3  1 16 LYS QD   4.510 . 4.960 3.871 1.857 4.954     .  0 0 "[    .    1    .    2]" 1 
        876 1 12 GLU HG3  1 16 LYS QE   3.940 . 4.330 2.912 1.799 4.292 0.001 10 0 "[    .    1    .    2]" 1 
        877 1 13 LEU HA   1 16 LYS QD   3.760 . 4.140 2.337 1.968 2.716     .  0 0 "[    .    1    .    2]" 1 
        878 1 13 LEU HA   1 16 LYS QE   5.080 . 5.590 3.917 2.881 4.583     .  0 0 "[    .    1    .    2]" 1 
        879 1 13 LEU HB2  1 30 GLN QE   4.370 . 4.810 3.466 1.911 4.800     .  0 0 "[    .    1    .    2]" 1 
        880 1 13 LEU HB3  1 30 GLN QE   4.400 . 4.840 3.381 2.073 4.617     .  0 0 "[    .    1    .    2]" 1 
        881 1 13 LEU MD1  1 29 GLU QB   3.730 . 4.100 2.730 2.343 3.217     .  0 0 "[    .    1    .    2]" 1 
        882 1 13 LEU MD2  1 16 LYS QD   3.510 . 3.860 1.993 1.795 2.273 0.005  9 0 "[    .    1    .    2]" 1 
        883 1 13 LEU MD2  1 16 LYS QE   3.970 . 4.370 3.056 2.128 3.606     .  0 0 "[    .    1    .    2]" 1 
        884 1 13 LEU MD2  1 26 GLU QB   3.260 . 3.590 1.827 1.761 2.041 0.039  1 0 "[    .    1    .    2]" 1 
        885 1 14 ALA H    1 30 GLN QE   5.040 . 5.540 3.980 2.827 5.099     .  0 0 "[    .    1    .    2]" 1 
        886 1 14 ALA HA   1 30 GLN QE   3.700 . 4.070 2.818 2.042 3.530     .  0 0 "[    .    1    .    2]" 1 
        887 1 16 LYS H    1 16 LYS QD   5.000 . 5.500 3.792 3.549 4.044     .  0 0 "[    .    1    .    2]" 1 
        888 1 16 LYS HA   1 16 LYS QD   4.350 . 4.790 4.047 3.914 4.261     .  0 0 "[    .    1    .    2]" 1 
        889 1 16 LYS HB2  1 16 LYS QD   3.130 . 3.440 2.396 2.324 2.490     .  0 0 "[    .    1    .    2]" 1 
        890 1 16 LYS HB2  1 16 LYS QE   4.680 . 5.150 3.998 3.863 4.068     .  0 0 "[    .    1    .    2]" 1 
        891 1 16 LYS HB3  1 16 LYS QD   3.010 . 3.310 2.442 2.263 2.804     .  0 0 "[    .    1    .    2]" 1 
        892 1 16 LYS QD   1 21 VAL MG2  3.740 . 4.110 3.328 2.725 4.056     .  0 0 "[    .    1    .    2]" 1 
        893 1 16 LYS QD   1 22 ILE HB   4.160 . 4.580 3.578 3.191 4.161     .  0 0 "[    .    1    .    2]" 1 
        894 1 16 LYS QE   1 21 VAL MG2  3.930 . 4.320 3.871 2.833 4.370 0.050 18 0 "[    .    1    .    2]" 1 
        895 1 17 ALA MB   1 30 GLN QE   3.440 . 3.780 2.655 2.195 3.019     .  0 0 "[    .    1    .    2]" 1 
        896 1 18 LYS H    1 18 LYS QG   4.310 . 4.740 2.737 2.107 3.990     .  0 0 "[    .    1    .    2]" 1 
        897 1 18 LYS HA   1 18 LYS QG   3.530 . 3.880 2.434 2.318 2.507     .  0 0 "[    .    1    .    2]" 1 
        898 1 18 LYS QE   1 18 LYS QG   3.320 . 3.650 2.529 2.313 2.800     .  0 0 "[    .    1    .    2]" 1 
        899 1 22 ILE H    1 22 ILE QG   4.050 . 4.460 4.021 3.989 4.069     .  0 0 "[    .    1    .    2]" 1 
        900 1 22 ILE HA   1 22 ILE QG   3.060 . 3.370 2.359 2.310 2.416     .  0 0 "[    .    1    .    2]" 1 
        901 1 22 ILE HA   1 26 GLU QB   4.040 . 4.440 3.505 3.115 3.921     .  0 0 "[    .    1    .    2]" 1 
        902 1 22 ILE HB   1 26 GLU QB   5.210 . 5.730 4.206 3.977 4.408     .  0 0 "[    .    1    .    2]" 1 
        903 1 22 ILE QG   1 22 ILE MG   3.080 . 3.390 2.337 2.320 2.357     .  0 0 "[    .    1    .    2]" 1 
        904 1 22 ILE MG   1 27 LYS QG   3.300 . 3.630 2.388 2.190 2.735     .  0 0 "[    .    1    .    2]" 1 
        905 1 22 ILE QG   1 23 THR H    3.210 . 3.530 2.624 2.332 2.817     .  0 0 "[    .    1    .    2]" 1 
        906 1 22 ILE QG   1 26 GLU QB   3.120 . 3.430 1.930 1.866 2.057     .  0 0 "[    .    1    .    2]" 1 
        907 1 22 ILE QG   1 27 LYS H    3.520 . 3.870 2.879 2.711 3.101     .  0 0 "[    .    1    .    2]" 1 
        908 1 22 ILE QG   1 27 LYS QG   3.960 . 4.360 2.066 1.832 2.357     .  0 0 "[    .    1    .    2]" 1 
        909 1 22 ILE MD   1 26 GLU QB   3.990 . 4.390 2.633 2.302 2.923     .  0 0 "[    .    1    .    2]" 1 
        910 1 22 ILE MD   1 27 LYS QG   3.570 . 3.930 2.142 1.890 2.373     .  0 0 "[    .    1    .    2]" 1 
        911 1 22 ILE MD   1 30 GLN QE   3.950 . 4.350 3.042 2.208 4.369 0.019  2 0 "[    .    1    .    2]" 1 
        912 1 23 THR H    1 26 GLU QB   3.250 . 3.580 2.540 2.291 2.887     .  0 0 "[    .    1    .    2]" 1 
        913 1 23 THR H    1 26 GLU QG   4.140 . 4.550 3.130 2.532 3.711     .  0 0 "[    .    1    .    2]" 1 
        914 1 23 THR MG   1 26 GLU QB   5.340 . 5.870 4.128 3.631 4.620     .  0 0 "[    .    1    .    2]" 1 
        915 1 23 THR MG   1 26 GLU QG   4.710 . 5.180 3.561 3.095 4.028     .  0 0 "[    .    1    .    2]" 1 
        916 1 24 GLU H    1 24 GLU QG   3.440 . 3.780 2.022 1.889 2.423     .  0 0 "[    .    1    .    2]" 1 
        917 1 24 GLU HA   1 24 GLU QG   3.320 . 3.650 2.661 2.351 3.060     .  0 0 "[    .    1    .    2]" 1 
        918 1 24 GLU HA   1 27 LYS QE   5.340 . 5.870 3.777 3.195 4.690     .  0 0 "[    .    1    .    2]" 1 
        919 1 24 GLU QG   1 25 GLU H    4.830 . 5.310 3.979 3.844 4.185     .  0 0 "[    .    1    .    2]" 1 
        920 1 25 GLU H    1 25 GLU QG   4.350 . 4.790 3.944 3.156 4.045     .  0 0 "[    .    1    .    2]" 1 
        921 1 25 GLU HA   1 25 GLU QG   3.320 . 3.650 2.563 2.369 3.072     .  0 0 "[    .    1    .    2]" 1 
        922 1 25 GLU QB   1 26 GLU H    3.830 . 4.210 2.483 2.339 2.617     .  0 0 "[    .    1    .    2]" 1 
        923 1 25 GLU QG   1 28 ALA H    5.340 . 5.870 4.981 4.553 5.603     .  0 0 "[    .    1    .    2]" 1 
        924 1 25 GLU QG   1 28 ALA MB   4.550 . 5.010 3.810 3.307 4.462     .  0 0 "[    .    1    .    2]" 1 
        925 1 26 GLU H    1 26 GLU QB   3.210 . 3.530 2.452 2.384 2.526     .  0 0 "[    .    1    .    2]" 1 
        926 1 26 GLU H    1 26 GLU QG   3.170 . 3.490 2.234 2.053 2.560     .  0 0 "[    .    1    .    2]" 1 
        927 1 26 GLU HA   1 26 GLU QG   3.180 . 3.500 2.594 2.321 3.043     .  0 0 "[    .    1    .    2]" 1 
        928 1 26 GLU HA   1 29 GLU QB   3.600 . 3.960 2.473 2.068 3.015     .  0 0 "[    .    1    .    2]" 1 
        929 1 26 GLU QB   1 27 LYS H    3.800 . 4.180 2.655 2.438 2.829     .  0 0 "[    .    1    .    2]" 1 
        930 1 26 GLU QG   1 27 LYS H    4.630 . 5.090 4.122 3.912 4.250     .  0 0 "[    .    1    .    2]" 1 
        931 1 27 LYS HA   1 27 LYS QG   3.050 . 3.360 2.437 2.364 2.499     .  0 0 "[    .    1    .    2]" 1 
        932 1 27 LYS HA   1 27 LYS QE   4.370 . 4.810 4.123 3.481 4.876 0.066 20 0 "[    .    1    .    2]" 1 
        933 1 27 LYS HB3  1 27 LYS QE   4.420 . 4.860 2.405 1.872 4.231     .  0 0 "[    .    1    .    2]" 1 
        934 1 27 LYS QE   1 27 LYS QG   3.290 . 3.620 2.337 2.143 2.418     .  0 0 "[    .    1    .    2]" 1 
        935 1 27 LYS QG   1 28 ALA H    5.340 . 5.870 4.100 3.962 4.212     .  0 0 "[    .    1    .    2]" 1 
        936 1 27 LYS QG   1 30 GLN HB2  5.330 . 5.860 5.052 4.620 5.502     .  0 0 "[    .    1    .    2]" 1 
        937 1 28 ALA H    1 29 GLU QB   5.050 . 5.560 4.447 4.295 4.606     .  0 0 "[    .    1    .    2]" 1 
        938 1 28 ALA HA   1 31 GLN QB   3.780 . 4.160 2.790 2.229 3.293     .  0 0 "[    .    1    .    2]" 1 
        939 1 28 ALA MB   1 29 GLU QB   4.500 . 4.950 3.832 3.694 3.932     .  0 0 "[    .    1    .    2]" 1 
        940 1 29 GLU H    1 29 GLU QB   2.910 . 3.200 2.248 2.219 2.300     .  0 0 "[    .    1    .    2]" 1 
        941 1 29 GLU HA   1 29 GLU QG   3.230 . 3.550 2.726 2.386 3.051     .  0 0 "[    .    1    .    2]" 1 
        942 1 29 GLU HA   1 32 LYS QB   4.100 . 4.510 2.530 2.019 2.905     .  0 0 "[    .    1    .    2]" 1 
        943 1 29 GLU QB   1 30 GLN H    3.390 . 3.730 2.477 2.337 2.705     .  0 0 "[    .    1    .    2]" 1 
        944 1 29 GLU QB   1 33 LEU MD1  4.640 . 5.100 4.013 3.732 4.496     .  0 0 "[    .    1    .    2]" 1 
        945 1 29 GLU QG   1 30 GLN H    4.690 . 5.160 3.526 3.129 3.777     .  0 0 "[    .    1    .    2]" 1 
        946 1 29 GLU QG   1 32 LYS H    5.340 . 5.870 5.037 4.477 5.452     .  0 0 "[    .    1    .    2]" 1 
        947 1 29 GLU QG   1 33 LEU H    5.020 . 5.520 4.063 3.783 4.559     .  0 0 "[    .    1    .    2]" 1 
        948 1 29 GLU QG   1 33 LEU HG   4.140 . 4.550 2.625 2.286 3.080     .  0 0 "[    .    1    .    2]" 1 
        949 1 30 GLN HG2  1 34 ARG QD   4.520 . 4.970 2.527 1.828 3.070     .  0 0 "[    .    1    .    2]" 1 
        950 1 30 GLN HG3  1 34 ARG QD   4.360 . 4.800 3.523 3.123 4.014     .  0 0 "[    .    1    .    2]" 1 
        951 1 31 GLN H    1 31 GLN QB   2.880 . 3.170 2.312 2.204 2.555     .  0 0 "[    .    1    .    2]" 1 
        952 1 31 GLN H    1 31 GLN QG   4.140 . 4.550 3.430 2.037 4.061     .  0 0 "[    .    1    .    2]" 1 
        953 1 31 GLN H    1 32 LYS QB   5.340 . 5.870 4.461 4.255 4.884     .  0 0 "[    .    1    .    2]" 1 
        954 1 31 GLN HA   1 31 GLN QG   3.540 . 3.890 2.539 2.398 3.020     .  0 0 "[    .    1    .    2]" 1 
        955 1 31 GLN HA   1 31 GLN QE   5.340 . 5.870 4.605 3.640 4.992     .  0 0 "[    .    1    .    2]" 1 
        956 1 31 GLN QB   1 32 LYS H    3.250 . 3.580 2.391 2.250 2.528     .  0 0 "[    .    1    .    2]" 1 
        957 1 31 GLN QB   1 33 LEU H    5.340 . 5.870 4.791 4.545 4.983     .  0 0 "[    .    1    .    2]" 1 
        958 1 31 GLN QG   1 32 LYS H    4.750 . 5.220 3.582 2.836 4.126     .  0 0 "[    .    1    .    2]" 1 
        959 1 32 LYS H    1 32 LYS QB   2.800 . 3.080 2.229 2.156 2.510     .  0 0 "[    .    1    .    2]" 1 
        960 1 32 LYS HA   1 32 LYS QG   3.480 . 3.830 2.539 2.364 2.700     .  0 0 "[    .    1    .    2]" 1 
        961 1 32 LYS QB   1 32 LYS QE   4.000 . 4.400 3.091 1.902 3.770     .  0 0 "[    .    1    .    2]" 1 
        962 1 32 LYS QB   1 33 LEU H    3.280 . 3.610 2.440 2.209 2.772     .  0 0 "[    .    1    .    2]" 1 
        963 1 32 LYS QE   1 32 LYS QG   3.330 . 3.660 2.399 2.137 2.850     .  0 0 "[    .    1    .    2]" 1 
        964 1 33 LEU HA   1 36 GLU QB   4.020 . 4.420 2.540 2.166 2.968     .  0 0 "[    .    1    .    2]" 1 
        965 1 33 LEU HA   1 36 GLU QG   3.610 . 3.970 2.765 2.196 4.010 0.040  2 0 "[    .    1    .    2]" 1 
        966 1 33 LEU HB3  1 36 GLU QB   5.340 . 5.870 3.962 3.477 4.345     .  0 0 "[    .    1    .    2]" 1 
        967 1 33 LEU MD2  1 36 GLU QB   4.420 . 4.860 3.510 3.117 4.005     .  0 0 "[    .    1    .    2]" 1 
        968 1 33 LEU MD2  1 36 GLU QG   4.310 . 4.740 3.056 2.360 3.915     .  0 0 "[    .    1    .    2]" 1 
        969 1 34 ARG H    1 34 ARG QD   4.560 . 5.020 3.945 3.607 4.360     .  0 0 "[    .    1    .    2]" 1 
        970 1 34 ARG HA   1 34 ARG QD   3.930 . 4.320 4.143 3.956 4.248     .  0 0 "[    .    1    .    2]" 1 
        971 1 34 ARG HB2  1 35 GLN QE   5.340 . 5.870 3.887 2.577 5.787     .  0 0 "[    .    1    .    2]" 1 
        972 1 34 ARG HB3  1 35 GLN QE   5.340 . 5.870 4.444 2.998 5.913 0.043  3 0 "[    .    1    .    2]" 1 
        973 1 35 GLN H    1 35 GLN QB   3.100 . 3.410 2.425 2.205 2.530     .  0 0 "[    .    1    .    2]" 1 
        974 1 35 GLN H    1 35 GLN QG   3.530 . 3.880 2.559 2.139 3.608     .  0 0 "[    .    1    .    2]" 1 
        975 1 35 GLN HA   1 35 GLN QG   3.510 . 3.860 2.777 2.337 3.091     .  0 0 "[    .    1    .    2]" 1 
        976 1 35 GLN HA   1 35 GLN QE   5.340 . 5.870 3.245 2.230 4.714     .  0 0 "[    .    1    .    2]" 1 
        977 1 35 GLN QB   1 36 GLU H    3.500 . 3.850 2.529 2.252 2.840     .  0 0 "[    .    1    .    2]" 1 
        978 1 35 GLN QG   1 38 LEU MD1  4.750 . 5.220 3.923 2.906 4.821     .  0 0 "[    .    1    .    2]" 1 
        979 1 36 GLU H    1 36 GLU QB   3.380 . 3.720 2.414 2.026 2.585     .  0 0 "[    .    1    .    2]" 1 
        980 1 36 GLU H    1 36 GLU QG   3.540 . 3.890 2.324 2.005 3.529     .  0 0 "[    .    1    .    2]" 1 
        981 1 36 GLU HA   1 39 LYS QG   3.540 . 3.890 2.403 1.854 3.444     .  0 0 "[    .    1    .    2]" 1 
        982 1 36 GLU HA   1 39 LYS QE   3.950 . 4.350 3.464 1.757 4.429 0.079 11 0 "[    .    1    .    2]" 1 
        983 1 36 GLU QB   1 36 GLU QG   2.180 . 2.400 2.011 1.991 2.086     .  0 0 "[    .    1    .    2]" 1 
        984 1 36 GLU QG   1 37 TYR H    4.770 . 5.250 4.121 3.917 4.601     .  0 0 "[    .    1    .    2]" 1 
        985 1 36 GLU QG   1 39 LYS QG   5.140 . 5.650 4.489 3.747 5.595     .  0 0 "[    .    1    .    2]" 1 
        986 1 38 LEU HA   1 41 PHE QB   4.090 . 4.500 2.159 1.788 3.271 0.012  9 0 "[    .    1    .    2]" 1 
        987 1 38 LEU HB2  1 41 PHE QB   5.340 . 5.870 4.456 3.504 5.304     .  0 0 "[    .    1    .    2]" 1 
        988 1 38 LEU MD2  1 41 PHE QB   4.330 . 4.760 2.710 1.956 3.306     .  0 0 "[    .    1    .    2]" 1 
        989 1 39 LYS H    1 39 LYS QB   3.510 . 3.860 2.638 2.210 3.298     .  0 0 "[    .    1    .    2]" 1 
        990 1 39 LYS H    1 39 LYS QG   3.550 . 3.900 2.398 1.984 3.523     .  0 0 "[    .    1    .    2]" 1 
        991 1 39 LYS H    1 39 LYS QD   5.050 . 5.560 3.546 2.250 4.549     .  0 0 "[    .    1    .    2]" 1 
        992 1 39 LYS HA   1 39 LYS QG   3.520 . 3.870 2.753 2.356 2.993     .  0 0 "[    .    1    .    2]" 1 
        993 1 39 LYS HA   1 39 LYS QD   4.180 . 4.600 2.593 1.844 4.018     .  0 0 "[    .    1    .    2]" 1 
        994 1 39 LYS QB   1 39 LYS QD   3.020 . 3.320 2.394 2.138 2.746     .  0 0 "[    .    1    .    2]" 1 
        995 1 39 LYS QB   1 40 GLY H    4.020 . 4.420 3.676 3.324 3.925     .  0 0 "[    .    1    .    2]" 1 
        996 1 39 LYS QB   1 40 GLY QA   4.640 . 5.100 4.008 3.916 4.168     .  0 0 "[    .    1    .    2]" 1 
        997 1 39 LYS QE   1 39 LYS QG   3.310 . 3.640 2.313 2.136 2.875     .  0 0 "[    .    1    .    2]" 1 
        998 1 41 PHE H    1 41 PHE QB   3.440 . 3.780 2.299 2.216 2.509     .  0 0 "[    .    1    .    2]" 1 
        999 1 41 PHE HA   1 42 ARG QG   4.730 . 5.200 4.165 3.359 5.114     .  0 0 "[    .    1    .    2]" 1 
       1000 1 41 PHE QB   1 42 ARG QG   4.760 . 5.240 3.985 2.333 5.296 0.056 20 0 "[    .    1    .    2]" 1 
       1001 1 42 ARG H    1 42 ARG QG   4.460 . 4.910 2.551 1.989 3.005     .  0 0 "[    .    1    .    2]" 1 
       1002 1 42 ARG HA   1 42 ARG QG   3.710 . 4.080 2.745 2.335 3.366     .  0 0 "[    .    1    .    2]" 1 
       1003 1 46 LYS H    1 46 LYS QG   4.740 . 5.210 3.390 1.982 4.514     .  0 0 "[    .    1    .    2]" 1 
       1004 1 46 LYS H    1 46 LYS QD   5.340 . 5.870 4.102 2.213 5.482     .  0 0 "[    .    1    .    2]" 1 
       1005 1 46 LYS HA   1 46 LYS QD   4.030 . 4.430 3.287 1.999 4.500 0.070  6 0 "[    .    1    .    2]" 1 
       1006 1 46 LYS QB   1 46 LYS QD   3.180 . 3.500 2.381 2.126 2.878     .  0 0 "[    .    1    .    2]" 1 
       1007 1 47 LEU H    1 47 LEU QB   3.490 . 3.840 2.743 2.259 3.350     .  0 0 "[    .    1    .    2]" 1 
       1008 1 47 LEU HA   1 47 LEU QD   3.650 . 4.020 2.566 1.892 3.407     .  0 0 "[    .    1    .    2]" 1 
       1009 1 47 LEU QB   1 48 GLU H    4.310 . 4.740 3.301 2.106 4.027     .  0 0 "[    .    1    .    2]" 1 
       1010 1 48 GLU H    1 48 GLU QB   3.620 . 3.980 2.600 2.281 3.075     .  0 0 "[    .    1    .    2]" 1 
    stop_

save_


save_distance_constraint_statistics_2
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            2
    _Distance_constraint_stats_list.Constraint_count              48
    _Distance_constraint_stats_list.Viol_count                    36
    _Distance_constraint_stats_list.Viol_total                    12.386
    _Distance_constraint_stats_list.Viol_max                      0.057
    _Distance_constraint_stats_list.Viol_rms                      0.0041
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0006
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0172
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       .

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

       1  4 ASN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  5 ALA 0.091 0.030 20 0 "[    .    1    .    2]" 
       1  6 LYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  7 ILE 0.006 0.006  6 0 "[    .    1    .    2]" 
       1  8 ALA 0.011 0.011  2 0 "[    .    1    .    2]" 
       1  9 ARG 0.091 0.030 20 0 "[    .    1    .    2]" 
       1 10 ILE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 11 ASN 0.043 0.013  2 0 "[    .    1    .    2]" 
       1 12 GLU 0.011 0.011  2 0 "[    .    1    .    2]" 
       1 13 LEU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 14 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 15 ALA 0.038 0.013  2 0 "[    .    1    .    2]" 
       1 16 LYS 0.024 0.017 13 0 "[    .    1    .    2]" 
       1 17 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 18 LYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 19 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 20 GLY 0.024 0.017 13 0 "[    .    1    .    2]" 
       1 24 GLU 0.003 0.003 16 0 "[    .    1    .    2]" 
       1 25 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 26 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 27 LYS 0.014 0.014 12 0 "[    .    1    .    2]" 
       1 28 ALA 0.061 0.041 19 0 "[    .    1    .    2]" 
       1 29 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 30 GLN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 31 GLN 0.075 0.023  1 0 "[    .    1    .    2]" 
       1 32 LYS 0.185 0.044 10 0 "[    .    1    .    2]" 
       1 33 LEU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 34 ARG 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 35 GLN 0.248 0.057  1 0 "[    .    1    .    2]" 
       1 36 GLU 0.127 0.044 10 0 "[    .    1    .    2]" 
       1 37 TYR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 38 LEU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 39 LYS 0.187 0.057  1 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  4 ASN O 1  8 ALA N 2.800 2.400 3.300 2.911 2.770 3.136     .  0 0 "[    .    1    .    2]" 2 
        2 1  4 ASN O 1  8 ALA H 1.800     . 2.300 1.954 1.794 2.165     .  0 0 "[    .    1    .    2]" 2 
        3 1  5 ALA O 1  9 ARG N 2.800 2.400 3.300 3.045 2.850 3.242     .  0 0 "[    .    1    .    2]" 2 
        4 1  5 ALA O 1  9 ARG H 1.800     . 2.300 2.142 1.964 2.330 0.030 20 0 "[    .    1    .    2]" 2 
        5 1  6 LYS O 1 10 ILE N 2.800 2.400 3.300 2.859 2.780 2.966     .  0 0 "[    .    1    .    2]" 2 
        6 1  6 LYS O 1 10 ILE H 1.800     . 2.300 1.942 1.860 2.024     .  0 0 "[    .    1    .    2]" 2 
        7 1  7 ILE O 1 11 ASN N 2.800 2.400 3.300 3.043 2.864 3.260     .  0 0 "[    .    1    .    2]" 2 
        8 1  7 ILE O 1 11 ASN H 1.800     . 2.300 2.086 1.892 2.306 0.006  6 0 "[    .    1    .    2]" 2 
        9 1  8 ALA O 1 12 GLU N 2.800 2.400 3.300 2.981 2.809 3.204     .  0 0 "[    .    1    .    2]" 2 
       10 1  8 ALA O 1 12 GLU H 1.800     . 2.300 2.058 1.902 2.311 0.011  2 0 "[    .    1    .    2]" 2 
       11 1  9 ARG O 1 13 LEU N 2.800 2.400 3.300 2.866 2.777 2.987     .  0 0 "[    .    1    .    2]" 2 
       12 1  9 ARG O 1 13 LEU H 1.800     . 2.300 1.897 1.829 2.005     .  0 0 "[    .    1    .    2]" 2 
       13 1 10 ILE O 1 14 ALA N 2.800 2.400 3.300 2.764 2.688 2.845     .  0 0 "[    .    1    .    2]" 2 
       14 1 10 ILE O 1 14 ALA H 1.800     . 2.300 1.869 1.779 1.936     .  0 0 "[    .    1    .    2]" 2 
       15 1 11 ASN O 1 15 ALA N 2.800 2.400 3.300 3.057 2.820 3.246     .  0 0 "[    .    1    .    2]" 2 
       16 1 11 ASN O 1 15 ALA H 1.800     . 2.300 2.134 1.903 2.313 0.013  2 0 "[    .    1    .    2]" 2 
       17 1 13 LEU O 1 17 ALA N 2.800 2.400 3.300 2.795 2.725 2.912     .  0 0 "[    .    1    .    2]" 2 
       18 1 13 LEU O 1 17 ALA H 1.800     . 2.300 1.920 1.837 2.037     .  0 0 "[    .    1    .    2]" 2 
       19 1 14 ALA O 1 18 LYS N 2.800 2.400 3.300 2.945 2.732 3.268     .  0 0 "[    .    1    .    2]" 2 
       20 1 14 ALA O 1 18 LYS H 1.800     . 2.300 2.002 1.833 2.298     .  0 0 "[    .    1    .    2]" 2 
       21 1 15 ALA O 1 19 ALA N 2.800 2.400 3.300 2.864 2.770 2.975     .  0 0 "[    .    1    .    2]" 2 
       22 1 15 ALA O 1 19 ALA H 1.800     . 2.300 1.977 1.879 2.128     .  0 0 "[    .    1    .    2]" 2 
       23 1 16 LYS O 1 20 GLY N 2.800 2.400 3.300 2.722 2.622 2.845     .  0 0 "[    .    1    .    2]" 2 
       24 1 16 LYS O 1 20 GLY H 1.800     . 2.300 2.097 1.865 2.317 0.017 13 0 "[    .    1    .    2]" 2 
       25 1 24 GLU O 1 28 ALA N 2.800 2.400 3.300 2.937 2.741 3.163     .  0 0 "[    .    1    .    2]" 2 
       26 1 24 GLU O 1 28 ALA H 1.800     . 2.300 2.018 1.877 2.303 0.003 16 0 "[    .    1    .    2]" 2 
       27 1 25 GLU O 1 29 GLU N 2.800 2.400 3.300 2.946 2.779 3.138     .  0 0 "[    .    1    .    2]" 2 
       28 1 25 GLU O 1 29 GLU H 1.800     . 2.300 2.008 1.878 2.224     .  0 0 "[    .    1    .    2]" 2 
       29 1 26 GLU O 1 30 GLN N 2.800 2.400 3.300 2.812 2.719 2.915     .  0 0 "[    .    1    .    2]" 2 
       30 1 26 GLU O 1 30 GLN H 1.800     . 2.300 1.872 1.820 1.975     .  0 0 "[    .    1    .    2]" 2 
       31 1 27 LYS O 1 31 GLN N 2.800 2.400 3.300 2.997 2.803 3.274     .  0 0 "[    .    1    .    2]" 2 
       32 1 27 LYS O 1 31 GLN H 1.800     . 2.300 2.051 1.852 2.314 0.014 12 0 "[    .    1    .    2]" 2 
       33 1 28 ALA O 1 32 LYS N 2.800 2.400 3.300 3.021 2.765 3.298     .  0 0 "[    .    1    .    2]" 2 
       34 1 28 ALA O 1 32 LYS H 1.800     . 2.300 2.068 1.837 2.341 0.041 19 0 "[    .    1    .    2]" 2 
       35 1 29 GLU O 1 33 LEU N 2.800 2.400 3.300 2.849 2.628 3.032     .  0 0 "[    .    1    .    2]" 2 
       36 1 29 GLU O 1 33 LEU H 1.800     . 2.300 1.892 1.753 2.088     .  0 0 "[    .    1    .    2]" 2 
       37 1 30 GLN O 1 34 ARG N 2.800 2.400 3.300 2.866 2.760 3.054     .  0 0 "[    .    1    .    2]" 2 
       38 1 30 GLN O 1 34 ARG H 1.800     . 2.300 1.963 1.870 2.130     .  0 0 "[    .    1    .    2]" 2 
       39 1 31 GLN O 1 35 GLN N 2.800 2.400 3.300 2.998 2.810 3.238     .  0 0 "[    .    1    .    2]" 2 
       40 1 31 GLN O 1 35 GLN H 1.800     . 2.300 2.092 1.916 2.323 0.023  1 0 "[    .    1    .    2]" 2 
       41 1 32 LYS O 1 36 GLU N 2.800 2.400 3.300 3.103 2.889 3.293     .  0 0 "[    .    1    .    2]" 2 
       42 1 32 LYS O 1 36 GLU H 1.800     . 2.300 2.161 1.949 2.344 0.044 10 0 "[    .    1    .    2]" 2 
       43 1 33 LEU O 1 37 TYR N 2.800 2.400 3.300 2.844 2.677 3.067     .  0 0 "[    .    1    .    2]" 2 
       44 1 33 LEU O 1 37 TYR H 1.800     . 2.300 1.978 1.865 2.203     .  0 0 "[    .    1    .    2]" 2 
       45 1 34 ARG O 1 38 LEU N 2.800 2.400 3.300 2.846 2.698 2.980     .  0 0 "[    .    1    .    2]" 2 
       46 1 34 ARG O 1 38 LEU H 1.800     . 2.300 2.017 1.883 2.194     .  0 0 "[    .    1    .    2]" 2 
       47 1 35 GLN O 1 39 LYS N 2.800 2.400 3.300 2.976 2.744 3.152     .  0 0 "[    .    1    .    2]" 2 
       48 1 35 GLN O 1 39 LYS H 1.800     . 2.300 2.227 1.863 2.357 0.057  1 0 "[    .    1    .    2]" 2 
    stop_

save_



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