NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing in_dress stage program type subtype subsubtype
372561 1dcz 4666 cing dress 4-filtered-FRED Wattos check violation distance


data_1dcz


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              1373
    _Distance_constraint_stats_list.Viol_count                    13
    _Distance_constraint_stats_list.Viol_total                    0.112
    _Distance_constraint_stats_list.Viol_max                      0.019
    _Distance_constraint_stats_list.Viol_rms                      0.0009
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0001
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0086
    _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  1 ALA 0.000 0.000 . 0 "[ ]" 
       1  2 GLY 0.000 0.000 . 0 "[ ]" 
       1  3 ALA 0.000 0.000 . 0 "[ ]" 
       1  4 GLY 0.000 0.000 . 0 "[ ]" 
       1  5 LYS 0.000 0.000 . 0 "[ ]" 
       1  6 ALA 0.006 0.006 1 0 "[ ]" 
       1  7 GLY 0.006 0.006 1 0 "[ ]" 
       1  8 GLU 0.000 0.000 . 0 "[ ]" 
       1  9 GLY 0.019 0.019 1 0 "[ ]" 
       1 10 GLU 0.023 0.019 1 0 "[ ]" 
       1 11 ILE 0.000 0.000 . 0 "[ ]" 
       1 12 PRO 0.007 0.007 1 0 "[ ]" 
       1 13 ALA 0.000 0.000 . 0 "[ ]" 
       1 14 PRO 0.000 0.000 . 0 "[ ]" 
       1 15 LEU 0.000 0.000 . 0 "[ ]" 
       1 16 ALA 0.000 0.000 . 0 "[ ]" 
       1 17 GLY 0.000 0.000 . 0 "[ ]" 
       1 18 THR 0.006 0.006 1 0 "[ ]" 
       1 19 VAL 0.000 0.000 . 0 "[ ]" 
       1 20 SER 0.000 0.000 . 0 "[ ]" 
       1 21 LYS 0.005 0.005 1 0 "[ ]" 
       1 22 ILE 0.000 0.000 . 0 "[ ]" 
       1 23 LEU 0.000 0.000 . 0 "[ ]" 
       1 24 VAL 0.012 0.012 1 0 "[ ]" 
       1 25 LYS 0.000 0.000 . 0 "[ ]" 
       1 26 GLU 0.014 0.014 1 0 "[ ]" 
       1 27 GLY 0.000 0.000 . 0 "[ ]" 
       1 28 ASP 0.012 0.012 1 0 "[ ]" 
       1 29 THR 0.000 0.000 . 0 "[ ]" 
       1 30 VAL 0.000 0.000 . 0 "[ ]" 
       1 31 LYS 0.000 0.000 . 0 "[ ]" 
       1 32 ALA 0.010 0.010 1 0 "[ ]" 
       1 33 GLY 0.000 0.000 . 0 "[ ]" 
       1 34 GLN 0.000 0.000 . 0 "[ ]" 
       1 35 THR 0.000 0.000 . 0 "[ ]" 
       1 36 VAL 0.000 0.000 . 0 "[ ]" 
       1 37 LEU 0.000 0.000 . 0 "[ ]" 
       1 38 VAL 0.000 0.000 . 0 "[ ]" 
       1 39 LEU 0.008 0.008 1 0 "[ ]" 
       1 40 GLU 0.006 0.006 1 0 "[ ]" 
       1 41 ALA 0.000 0.000 . 0 "[ ]" 
       1 42 MET 0.000 0.000 . 0 "[ ]" 
       1 43 LYS 0.000 0.000 . 0 "[ ]" 
       1 44 MET 0.000 0.000 . 0 "[ ]" 
       1 45 GLU 0.008 0.008 1 0 "[ ]" 
       1 46 THR 0.000 0.000 . 0 "[ ]" 
       1 47 GLU 0.000 0.000 . 0 "[ ]" 
       1 48 ILE 0.000 0.000 . 0 "[ ]" 
       1 49 ASN 0.000 0.000 . 0 "[ ]" 
       1 50 ALA 0.000 0.000 . 0 "[ ]" 
       1 51 PRO 0.000 0.000 . 0 "[ ]" 
       1 52 THR 0.000 0.000 . 0 "[ ]" 
       1 53 ASP 0.008 0.008 1 0 "[ ]" 
       1 54 GLY 0.019 0.010 1 0 "[ ]" 
       1 55 LYS 0.000 0.000 . 0 "[ ]" 
       1 56 VAL 0.014 0.014 1 0 "[ ]" 
       1 57 GLU 0.000 0.000 . 0 "[ ]" 
       1 58 LYS 0.006 0.006 1 0 "[ ]" 
       1 59 VAL 0.000 0.000 . 0 "[ ]" 
       1 60 LEU 0.000 0.000 . 0 "[ ]" 
       1 61 VAL 0.000 0.000 . 0 "[ ]" 
       1 62 LYS 0.000 0.000 . 0 "[ ]" 
       1 63 GLU 0.005 0.005 1 0 "[ ]" 
       1 64 ARG 0.000 0.000 . 0 "[ ]" 
       1 65 ASP 0.000 0.000 . 0 "[ ]" 
       1 66 ALA 0.000 0.000 . 0 "[ ]" 
       1 67 VAL 0.000 0.000 . 0 "[ ]" 
       1 68 GLN 0.007 0.007 1 0 "[ ]" 
       1 69 GLY 0.000 0.000 . 0 "[ ]" 
       1 70 GLY 0.000 0.000 . 0 "[ ]" 
       1 71 GLN 0.014 0.007 1 0 "[ ]" 
       1 72 GLY 0.000 0.000 . 0 "[ ]" 
       1 73 LEU 0.004 0.004 1 0 "[ ]" 
       1 74 ILE 0.000 0.000 . 0 "[ ]" 
       1 75 LYS 0.000 0.000 . 0 "[ ]" 
       1 76 ILE 0.006 0.006 1 0 "[ ]" 
       1 77 GLY 0.000 0.000 . 0 "[ ]" 
    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  1 ALA H1   1  1 ALA HA   2.800 . 3.900 2.546 2.546 2.546     . 0 0 "[ ]" 1 
          2 1  1 ALA H1   1  1 ALA MB   4.350 . 7.000 2.195 2.195 2.195     . 0 0 "[ ]" 1 
          3 1  1 ALA HA   1  1 ALA MB   2.480 . 3.260 2.146 2.146 2.146     . 0 0 "[ ]" 1 
          4 1  1 ALA HA   1  2 GLY H    2.630 . 3.560 2.875 2.875 2.875     . 0 0 "[ ]" 1 
          5 1  1 ALA MB   1  2 GLY H    4.350 . 7.000 3.647 3.647 3.647     . 0 0 "[ ]" 1 
          6 1  2 GLY QA   1  3 ALA H    2.580 . 3.460 2.124 2.124 2.124     . 0 0 "[ ]" 1 
          7 1  3 ALA H    1  3 ALA HA   2.770 . 3.830 2.878 2.878 2.878     . 0 0 "[ ]" 1 
          8 1  3 ALA H    1  3 ALA MB   3.050 . 4.400 2.260 2.260 2.260     . 0 0 "[ ]" 1 
          9 1  3 ALA H    1  4 GLY H    3.500 . 5.290 2.443 2.443 2.443     . 0 0 "[ ]" 1 
         10 1  3 ALA HA   1  4 GLY H    3.100 . 4.500 3.512 3.512 3.512     . 0 0 "[ ]" 1 
         11 1  3 ALA MB   1  4 GLY H    4.350 . 7.000 2.638 2.638 2.638     . 0 0 "[ ]" 1 
         12 1  4 GLY H    1  5 LYS H    3.490 . 5.280 3.855 3.855 3.855     . 0 0 "[ ]" 1 
         13 1  4 GLY QA   1  5 LYS H    2.890 . 4.080 2.116 2.116 2.116     . 0 0 "[ ]" 1 
         14 1  4 GLY QA   1 71 GLN H    4.350 . 7.000 4.616 4.616 4.616     . 0 0 "[ ]" 1 
         15 1  5 LYS H    1  5 LYS HA   2.760 . 3.820 2.916 2.916 2.916     . 0 0 "[ ]" 1 
         16 1  5 LYS H    1  5 LYS QB   2.820 . 3.940 3.246 3.246 3.246     . 0 0 "[ ]" 1 
         17 1  5 LYS H    1  5 LYS QG   3.240 . 4.780 2.395 2.395 2.395     . 0 0 "[ ]" 1 
         18 1  5 LYS H    1  6 ALA H    3.190 . 4.680 4.396 4.396 4.396     . 0 0 "[ ]" 1 
         19 1  5 LYS H    1 71 GLN HA   3.400 . 5.100 2.864 2.864 2.864     . 0 0 "[ ]" 1 
         20 1  5 LYS HA   1  5 LYS QD   3.450 . 5.200 4.453 4.453 4.453     . 0 0 "[ ]" 1 
         21 1  5 LYS HA   1  6 ALA H    2.240 . 2.780 2.439 2.439 2.439     . 0 0 "[ ]" 1 
         22 1  5 LYS HA   1 71 GLN HA   2.910 . 4.120 2.108 2.108 2.108     . 0 0 "[ ]" 1 
         23 1  5 LYS HA   1 72 GLY H    4.080 . 6.460 3.642 3.642 3.642     . 0 0 "[ ]" 1 
         24 1  5 LYS QB   1  6 ALA H    3.440 . 5.180 2.287 2.287 2.287     . 0 0 "[ ]" 1 
         25 1  5 LYS QB   1 71 GLN H    3.890 . 6.080 4.996 4.996 4.996     . 0 0 "[ ]" 1 
         26 1  5 LYS QG   1 71 GLN H    4.350 . 7.000 6.245 6.245 6.245     . 0 0 "[ ]" 1 
         27 1  6 ALA H    1  6 ALA HA   2.750 . 3.810 2.948 2.948 2.948     . 0 0 "[ ]" 1 
         28 1  6 ALA H    1  6 ALA MB   3.020 . 4.330 2.603 2.603 2.603     . 0 0 "[ ]" 1 
         29 1  6 ALA H    1  7 GLY H    3.790 . 5.870 4.406 4.406 4.406     . 0 0 "[ ]" 1 
         30 1  6 ALA H    1 12 PRO HB2  3.420 . 5.140 4.472 4.472 4.472     . 0 0 "[ ]" 1 
         31 1  6 ALA H    1 12 PRO QG   4.350 . 7.000 4.656 4.656 4.656     . 0 0 "[ ]" 1 
         32 1  6 ALA H    1 71 GLN HA   3.100 . 4.500 3.859 3.859 3.859     . 0 0 "[ ]" 1 
         33 1  6 ALA H    1 72 GLY H    3.890 . 6.080 4.301 4.301 4.301     . 0 0 "[ ]" 1 
         34 1  6 ALA H    1 72 GLY QA   4.350 . 7.000 4.393 4.393 4.393     . 0 0 "[ ]" 1 
         35 1  6 ALA HA   1  6 ALA MB   2.480 . 3.260 2.111 2.111 2.111     . 0 0 "[ ]" 1 
         36 1  6 ALA HA   1  7 GLY H    2.130 . 2.560 2.566 2.566 2.566 0.006 1 0 "[ ]" 1 
         37 1  6 ALA HA   1 10 GLU HB2  3.850 . 6.000 2.703 2.703 2.703     . 0 0 "[ ]" 1 
         38 1  6 ALA HA   1 72 GLY H    3.160 . 4.620 3.916 3.916 3.916     . 0 0 "[ ]" 1 
         39 1  6 ALA HA   1 72 GLY QA   2.720 . 3.740 3.337 3.337 3.337     . 0 0 "[ ]" 1 
         40 1  6 ALA MB   1  7 GLY H    3.750 . 5.800 2.308 2.308 2.308     . 0 0 "[ ]" 1 
         41 1  6 ALA MB   1  8 GLU H    4.350 . 7.000 4.465 4.465 4.465     . 0 0 "[ ]" 1 
         42 1  6 ALA MB   1 10 GLU H    3.850 . 6.000 3.953 3.953 3.953     . 0 0 "[ ]" 1 
         43 1  6 ALA MB   1 10 GLU HA   3.850 . 6.000 3.811 3.811 3.811     . 0 0 "[ ]" 1 
         44 1  6 ALA MB   1 10 GLU HB2  2.790 . 3.880 2.111 2.111 2.111     . 0 0 "[ ]" 1 
         45 1  6 ALA MB   1 10 GLU QG   3.850 . 6.000 3.985 3.985 3.985     . 0 0 "[ ]" 1 
         46 1  6 ALA MB   1 12 PRO HA   3.850 . 6.000 1.991 1.991 1.991     . 0 0 "[ ]" 1 
         47 1  6 ALA MB   1 12 PRO HB2  3.850 . 6.000 3.657 3.657 3.657     . 0 0 "[ ]" 1 
         48 1  6 ALA MB   1 12 PRO HB3  3.850 . 6.000 2.403 2.403 2.403     . 0 0 "[ ]" 1 
         49 1  6 ALA MB   1 12 PRO QG   3.850 . 6.000 3.214 3.214 3.214     . 0 0 "[ ]" 1 
         50 1  6 ALA MB   1 13 ALA H    3.940 . 6.180 3.665 3.665 3.665     . 0 0 "[ ]" 1 
         51 1  6 ALA MB   1 71 GLN H    4.350 . 7.000 4.812 4.812 4.812     . 0 0 "[ ]" 1 
         52 1  6 ALA MB   1 71 GLN HA   3.850 . 6.000 3.704 3.704 3.704     . 0 0 "[ ]" 1 
         53 1  6 ALA MB   1 72 GLY H    4.100 . 6.500 3.008 3.008 3.008     . 0 0 "[ ]" 1 
         54 1  6 ALA MB   1 72 GLY QA   3.850 . 6.000 1.802 1.802 1.802     . 0 0 "[ ]" 1 
         55 1  6 ALA MB   1 73 LEU H    3.850 . 6.000 3.288 3.288 3.288     . 0 0 "[ ]" 1 
         56 1  7 GLY H    1  7 GLY QA   2.540 . 3.370 2.489 2.489 2.489     . 0 0 "[ ]" 1 
         57 1  7 GLY H    1 10 GLU H    3.940 . 6.170 3.443 3.443 3.443     . 0 0 "[ ]" 1 
         58 1  7 GLY H    1 10 GLU HA   4.350 . 7.000 4.842 4.842 4.842     . 0 0 "[ ]" 1 
         59 1  7 GLY H    1 10 GLU HB2  3.290 . 4.880 2.913 2.913 2.913     . 0 0 "[ ]" 1 
         60 1  7 GLY H    1 10 GLU HB3  3.540 . 5.380 4.361 4.361 4.361     . 0 0 "[ ]" 1 
         61 1  7 GLY H    1 10 GLU QG   3.630 . 5.560 4.598 4.598 4.598     . 0 0 "[ ]" 1 
         62 1  7 GLY H    1 72 GLY H    4.350 . 7.000 6.080 6.080 6.080     . 0 0 "[ ]" 1 
         63 1  7 GLY QA   1  8 GLU H    2.390 . 3.080 2.558 2.558 2.558     . 0 0 "[ ]" 1 
         64 1  7 GLY QA   1 12 PRO HB3  3.850 . 6.000 4.360 4.360 4.360     . 0 0 "[ ]" 1 
         65 1  8 GLU H    1  8 GLU HA   2.580 . 3.470 2.943 2.943 2.943     . 0 0 "[ ]" 1 
         66 1  8 GLU H    1  8 GLU QB   2.480 . 3.260 2.257 2.257 2.257     . 0 0 "[ ]" 1 
         67 1  8 GLU H    1  8 GLU QG   3.250 . 4.800 3.154 3.154 3.154     . 0 0 "[ ]" 1 
         68 1  8 GLU H    1  9 GLY H    3.330 . 4.960 4.124 4.124 4.124     . 0 0 "[ ]" 1 
         69 1  8 GLU H    1 10 GLU H    4.040 . 6.380 3.829 3.829 3.829     . 0 0 "[ ]" 1 
         70 1  8 GLU H    1 10 GLU HB2  3.560 . 5.420 4.426 4.426 4.426     . 0 0 "[ ]" 1 
         71 1  8 GLU HA   1  8 GLU QG   3.300 . 4.900 2.107 2.107 2.107     . 0 0 "[ ]" 1 
         72 1  8 GLU HA   1  9 GLY H    2.480 . 3.250 2.203 2.203 2.203     . 0 0 "[ ]" 1 
         73 1  8 GLU HA   1 10 GLU H    3.170 . 4.640 4.379 4.379 4.379     . 0 0 "[ ]" 1 
         74 1  8 GLU QB   1  9 GLY H    3.110 . 4.520 3.720 3.720 3.720     . 0 0 "[ ]" 1 
         75 1  8 GLU QG   1  9 GLY H    3.580 . 5.460 3.988 3.988 3.988     . 0 0 "[ ]" 1 
         76 1  8 GLU QG   1 10 GLU H    4.350 . 7.000 5.638 5.638 5.638     . 0 0 "[ ]" 1 
         77 1  9 GLY H    1  9 GLY QA   2.490 . 3.280 2.264 2.264 2.264     . 0 0 "[ ]" 1 
         78 1  9 GLY H    1 10 GLU H    2.640 . 3.580 3.401 3.401 3.401     . 0 0 "[ ]" 1 
         79 1  9 GLY H    1 10 GLU HA   4.350 . 7.000 5.356 5.356 5.356     . 0 0 "[ ]" 1 
         80 1  9 GLY H    1 10 GLU HB2  3.650 . 5.590 5.609 5.609 5.609 0.019 1 0 "[ ]" 1 
         81 1  9 GLY H    1 75 LYS QG   4.350 . 7.000 4.949 4.949 4.949     . 0 0 "[ ]" 1 
         82 1  9 GLY QA   1 10 GLU H    2.690 . 3.680 2.573 2.573 2.573     . 0 0 "[ ]" 1 
         83 1  9 GLY QA   1 76 ILE H    4.350 . 7.000 3.065 3.065 3.065     . 0 0 "[ ]" 1 
         84 1 10 GLU H    1 10 GLU HA   2.750 . 3.810 2.894 2.894 2.894     . 0 0 "[ ]" 1 
         85 1 10 GLU H    1 10 GLU HB2  2.400 . 3.090 2.554 2.554 2.554     . 0 0 "[ ]" 1 
         86 1 10 GLU H    1 10 GLU HB3  2.750 . 3.790 3.626 3.626 3.626     . 0 0 "[ ]" 1 
         87 1 10 GLU H    1 10 GLU QG   2.450 . 3.200 2.082 2.082 2.082     . 0 0 "[ ]" 1 
         88 1 10 GLU H    1 11 ILE H    3.310 . 4.920 4.543 4.543 4.543     . 0 0 "[ ]" 1 
         89 1 10 GLU H    1 75 LYS HA   3.230 . 4.760 4.101 4.101 4.101     . 0 0 "[ ]" 1 
         90 1 10 GLU H    1 75 LYS QB   4.350 . 7.000 5.150 5.150 5.150     . 0 0 "[ ]" 1 
         91 1 10 GLU H    1 75 LYS QE   4.350 . 7.000 3.500 3.500 3.500     . 0 0 "[ ]" 1 
         92 1 10 GLU H    1 75 LYS QG   2.970 . 4.240 3.285 3.285 3.285     . 0 0 "[ ]" 1 
         93 1 10 GLU HA   1 10 GLU HB2  2.830 . 3.960 3.025 3.025 3.025     . 0 0 "[ ]" 1 
         94 1 10 GLU HA   1 10 GLU HB3  2.770 . 3.830 2.425 2.425 2.425     . 0 0 "[ ]" 1 
         95 1 10 GLU HA   1 10 GLU QG   2.580 . 3.460 2.483 2.483 2.483     . 0 0 "[ ]" 1 
         96 1 10 GLU HA   1 11 ILE H    2.190 . 2.690 2.159 2.159 2.159     . 0 0 "[ ]" 1 
         97 1 10 GLU HA   1 74 ILE H    3.100 . 4.500 3.898 3.898 3.898     . 0 0 "[ ]" 1 
         98 1 10 GLU HA   1 75 LYS H    3.150 . 4.600 4.275 4.275 4.275     . 0 0 "[ ]" 1 
         99 1 10 GLU HA   1 76 ILE H    3.540 . 5.370 3.722 3.722 3.722     . 0 0 "[ ]" 1 
        100 1 10 GLU HB2  1 10 GLU QG   2.670 . 3.650 2.428 2.428 2.428     . 0 0 "[ ]" 1 
        101 1 10 GLU HB2  1 72 GLY QA   3.850 . 6.000 2.802 2.802 2.802     . 0 0 "[ ]" 1 
        102 1 10 GLU HB2  1 73 LEU H    3.270 . 4.840 4.844 4.844 4.844 0.004 1 0 "[ ]" 1 
        103 1 10 GLU HB3  1 10 GLU QG   2.640 . 3.580 2.304 2.304 2.304     . 0 0 "[ ]" 1 
        104 1 10 GLU HB3  1 11 ILE H    2.840 . 3.980 3.232 3.232 3.232     . 0 0 "[ ]" 1 
        105 1 10 GLU HB3  1 72 GLY H    4.350 . 7.000 4.273 4.273 4.273     . 0 0 "[ ]" 1 
        106 1 10 GLU HB3  1 72 GLY QA   3.850 . 6.000 1.984 1.984 1.984     . 0 0 "[ ]" 1 
        107 1 10 GLU HB3  1 73 LEU H    3.100 . 4.500 3.506 3.506 3.506     . 0 0 "[ ]" 1 
        108 1 10 GLU QG   1 60 LEU QD   3.270 . 4.840 2.406 2.406 2.406     . 0 0 "[ ]" 1 
        109 1 10 GLU QG   1 75 LYS QG   3.850 . 6.000 2.532 2.532 2.532     . 0 0 "[ ]" 1 
        110 1 11 ILE H    1 11 ILE HA   2.760 . 3.820 2.895 2.895 2.895     . 0 0 "[ ]" 1 
        111 1 11 ILE H    1 11 ILE HB   2.450 . 3.200 2.575 2.575 2.575     . 0 0 "[ ]" 1 
        112 1 11 ILE H    1 11 ILE QG   2.360 . 3.030 2.079 2.079 2.079     . 0 0 "[ ]" 1 
        113 1 11 ILE H    1 60 LEU QD   4.350 . 7.000 4.906 4.906 4.906     . 0 0 "[ ]" 1 
        114 1 11 ILE H    1 72 GLY QA   4.350 . 7.000 3.746 3.746 3.746     . 0 0 "[ ]" 1 
        115 1 11 ILE H    1 74 ILE H    2.790 . 3.880 2.563 2.563 2.563     . 0 0 "[ ]" 1 
        116 1 11 ILE H    1 75 LYS HA   2.740 . 3.780 3.606 3.606 3.606     . 0 0 "[ ]" 1 
        117 1 11 ILE HA   1 11 ILE QG   2.460 . 3.220 2.487 2.487 2.487     . 0 0 "[ ]" 1 
        118 1 11 ILE HA   1 11 ILE MG   2.580 . 3.460 2.351 2.351 2.351     . 0 0 "[ ]" 1 
        119 1 11 ILE HA   1 12 PRO HD2  2.300 . 2.900 2.304 2.304 2.304     . 0 0 "[ ]" 1 
        120 1 11 ILE HA   1 12 PRO HD3  2.100 . 2.500 2.266 2.266 2.266     . 0 0 "[ ]" 1 
        121 1 11 ILE HB   1 11 ILE MD   2.970 . 4.240 2.341 2.341 2.341     . 0 0 "[ ]" 1 
        122 1 11 ILE HB   1 11 ILE MG   2.490 . 3.280 2.147 2.147 2.147     . 0 0 "[ ]" 1 
        123 1 11 ILE HB   1 73 LEU H    3.000 . 4.300 3.471 3.471 3.471     . 0 0 "[ ]" 1 
        124 1 11 ILE HB   1 74 ILE H    2.780 . 3.860 2.743 2.743 2.743     . 0 0 "[ ]" 1 
        125 1 11 ILE MD   1 50 ALA HA   2.580 . 3.460 2.344 2.344 2.344     . 0 0 "[ ]" 1 
        126 1 11 ILE MD   1 50 ALA MB   3.850 . 6.000 2.777 2.777 2.777     . 0 0 "[ ]" 1 
        127 1 11 ILE MD   1 51 PRO HD2  3.850 . 6.000 2.035 2.035 2.035     . 0 0 "[ ]" 1 
        128 1 11 ILE MD   1 51 PRO HD3  3.850 . 6.000 2.160 2.160 2.160     . 0 0 "[ ]" 1 
        129 1 11 ILE MD   1 51 PRO HG2  3.850 . 6.000 3.587 3.587 3.587     . 0 0 "[ ]" 1 
        130 1 11 ILE MD   1 51 PRO HG3  3.850 . 6.000 3.377 3.377 3.377     . 0 0 "[ ]" 1 
        131 1 11 ILE MD   1 76 ILE H    4.350 . 7.000 4.474 4.474 4.474     . 0 0 "[ ]" 1 
        132 1 11 ILE MD   1 76 ILE MD   3.800 . 6.000 2.105 2.105 2.105     . 0 0 "[ ]" 1 
        133 1 11 ILE MD   1 76 ILE QG   3.850 . 6.000 1.963 1.963 1.963     . 0 0 "[ ]" 1 
        134 1 11 ILE QG   1 51 PRO HD2  2.310 . 2.930 2.614 2.614 2.614     . 0 0 "[ ]" 1 
        135 1 11 ILE QG   1 51 PRO HD3  3.250 . 4.790 2.552 2.552 2.552     . 0 0 "[ ]" 1 
        136 1 11 ILE QG   1 74 ILE MG   3.850 . 6.000 4.452 4.452 4.452     . 0 0 "[ ]" 1 
        137 1 11 ILE QG   1 76 ILE MD   3.710 . 5.720 3.277 3.277 3.277     . 0 0 "[ ]" 1 
        138 1 11 ILE QG   1 76 ILE QG   2.230 . 2.750 2.187 2.187 2.187     . 0 0 "[ ]" 1 
        139 1 11 ILE MG   1 48 ILE MG   3.800 . 6.000 3.230 3.230 3.230     . 0 0 "[ ]" 1 
        140 1 11 ILE MG   1 73 LEU H    3.850 . 6.000 4.369 4.369 4.369     . 0 0 "[ ]" 1 
        141 1 11 ILE MG   1 73 LEU QD   3.800 . 6.000 3.344 3.344 3.344     . 0 0 "[ ]" 1 
        142 1 11 ILE MG   1 76 ILE QG   3.850 . 6.000 4.147 4.147 4.147     . 0 0 "[ ]" 1 
        143 1 12 PRO HA   1 12 PRO HB3  2.620 . 3.540 2.300 2.300 2.300     . 0 0 "[ ]" 1 
        144 1 12 PRO HA   1 12 PRO QG   3.460 . 5.210 3.507 3.507 3.507     . 0 0 "[ ]" 1 
        145 1 12 PRO HA   1 13 ALA H    2.270 . 2.830 2.200 2.200 2.200     . 0 0 "[ ]" 1 
        146 1 12 PRO HA   1 13 ALA MB   3.850 . 6.000 3.996 3.996 3.996     . 0 0 "[ ]" 1 
        147 1 12 PRO HA   1 71 GLN H    3.540 . 5.380 4.509 4.509 4.509     . 0 0 "[ ]" 1 
        148 1 12 PRO HA   1 72 GLY H    4.350 . 7.000 4.533 4.533 4.533     . 0 0 "[ ]" 1 
        149 1 12 PRO HA   1 72 GLY QA   2.580 . 3.470 3.097 3.097 3.097     . 0 0 "[ ]" 1 
        150 1 12 PRO HA   1 73 LEU H    2.850 . 4.000 3.779 3.779 3.779     . 0 0 "[ ]" 1 
        151 1 12 PRO HA   1 73 LEU QD   3.850 . 6.000 4.354 4.354 4.354     . 0 0 "[ ]" 1 
        152 1 12 PRO HA   1 73 LEU HG   3.000 . 4.300 4.040 4.040 4.040     . 0 0 "[ ]" 1 
        153 1 12 PRO HB2  1 12 PRO HD3  3.850 . 6.000 3.972 3.972 3.972     . 0 0 "[ ]" 1 
        154 1 12 PRO HB2  1 13 ALA H    2.830 . 3.960 3.319 3.319 3.319     . 0 0 "[ ]" 1 
        155 1 12 PRO HB2  1 70 GLY QA   2.580 . 3.460 2.253 2.253 2.253     . 0 0 "[ ]" 1 
        156 1 12 PRO HB2  1 71 GLN H    3.520 . 5.340 5.347 5.347 5.347 0.007 1 0 "[ ]" 1 
        157 1 12 PRO HB3  1 12 PRO HD3  3.850 . 6.000 3.111 3.111 3.111     . 0 0 "[ ]" 1 
        158 1 12 PRO HB3  1 70 GLY QA   2.920 . 4.140 2.853 2.853 2.853     . 0 0 "[ ]" 1 
        159 1 12 PRO QG   1 13 ALA H    3.850 . 6.000 4.596 4.596 4.596     . 0 0 "[ ]" 1 
        160 1 13 ALA H    1 13 ALA HA   2.760 . 3.820 2.881 2.881 2.881     . 0 0 "[ ]" 1 
        161 1 13 ALA H    1 13 ALA MB   2.940 . 4.180 2.122 2.122 2.122     . 0 0 "[ ]" 1 
        162 1 13 ALA H    1 14 PRO HD3  3.450 . 5.200 5.007 5.007 5.007     . 0 0 "[ ]" 1 
        163 1 13 ALA H    1 15 LEU H    4.180 . 6.670 5.475 5.475 5.475     . 0 0 "[ ]" 1 
        164 1 13 ALA H    1 70 GLY H    3.410 . 5.120 2.389 2.389 2.389     . 0 0 "[ ]" 1 
        165 1 13 ALA H    1 70 GLY QA   3.190 . 4.670 2.920 2.920 2.920     . 0 0 "[ ]" 1 
        166 1 13 ALA H    1 71 GLN H    3.160 . 4.620 3.275 3.275 3.275     . 0 0 "[ ]" 1 
        167 1 13 ALA H    1 71 GLN HA   3.560 . 5.410 4.525 4.525 4.525     . 0 0 "[ ]" 1 
        168 1 13 ALA H    1 72 GLY H    3.680 . 5.660 5.125 5.125 5.125     . 0 0 "[ ]" 1 
        169 1 13 ALA H    1 72 GLY QA   3.240 . 4.780 4.258 4.258 4.258     . 0 0 "[ ]" 1 
        170 1 13 ALA H    1 73 LEU H    3.040 . 4.380 4.376 4.376 4.376     . 0 0 "[ ]" 1 
        171 1 13 ALA H    1 73 LEU QD   3.640 . 5.580 3.531 3.531 3.531     . 0 0 "[ ]" 1 
        172 1 13 ALA H    1 73 LEU HG   2.770 . 3.840 3.174 3.174 3.174     . 0 0 "[ ]" 1 
        173 1 13 ALA HA   1 14 PRO HD2  2.230 . 2.770 2.454 2.454 2.454     . 0 0 "[ ]" 1 
        174 1 13 ALA HA   1 14 PRO HD3  2.190 . 2.680 2.266 2.266 2.266     . 0 0 "[ ]" 1 
        175 1 13 ALA HA   1 15 LEU H    3.030 . 4.360 4.086 4.086 4.086     . 0 0 "[ ]" 1 
        176 1 13 ALA HA   1 39 LEU QD   3.850 . 6.000 3.672 3.672 3.672     . 0 0 "[ ]" 1 
        177 1 13 ALA HA   1 48 ILE MD   3.850 . 6.000 3.706 3.706 3.706     . 0 0 "[ ]" 1 
        178 1 13 ALA HA   1 70 GLY H    3.320 . 4.940 3.819 3.819 3.819     . 0 0 "[ ]" 1 
        179 1 13 ALA HA   1 73 LEU QD   2.520 . 3.350 2.124 2.124 2.124     . 0 0 "[ ]" 1 
        180 1 13 ALA MB   1 14 PRO HD2  3.850 . 6.000 2.420 2.420 2.420     . 0 0 "[ ]" 1 
        181 1 13 ALA MB   1 14 PRO HD3  3.850 . 6.000 3.413 3.413 3.413     . 0 0 "[ ]" 1 
        182 1 13 ALA MB   1 15 LEU H    3.850 . 6.000 2.526 2.526 2.526     . 0 0 "[ ]" 1 
        183 1 13 ALA MB   1 39 LEU QD   3.850 . 6.000 2.770 2.770 2.770     . 0 0 "[ ]" 1 
        184 1 13 ALA MB   1 67 VAL MG1  3.800 . 6.000 3.949 3.949 3.949     . 0 0 "[ ]" 1 
        185 1 13 ALA MB   1 67 VAL MG2  3.850 . 6.000 3.049 3.049 3.049     . 0 0 "[ ]" 1 
        186 1 13 ALA MB   1 69 GLY QA   3.850 . 6.000 2.342 2.342 2.342     . 0 0 "[ ]" 1 
        187 1 13 ALA MB   1 70 GLY H    3.660 . 5.620 2.209 2.209 2.209     . 0 0 "[ ]" 1 
        188 1 13 ALA MB   1 71 GLN H    3.600 . 5.500 2.918 2.918 2.918     . 0 0 "[ ]" 1 
        189 1 13 ALA MB   1 73 LEU QD   3.850 . 6.000 1.817 1.817 1.817     . 0 0 "[ ]" 1 
        190 1 13 ALA MB   1 73 LEU HG   3.850 . 6.000 2.403 2.403 2.403     . 0 0 "[ ]" 1 
        191 1 14 PRO HA   1 14 PRO HB2  2.600 . 3.500 2.732 2.732 2.732     . 0 0 "[ ]" 1 
        192 1 14 PRO HA   1 14 PRO HB3  2.460 . 3.230 2.300 2.300 2.300     . 0 0 "[ ]" 1 
        193 1 14 PRO HA   1 14 PRO HG2  3.590 . 5.480 3.881 3.881 3.881     . 0 0 "[ ]" 1 
        194 1 14 PRO HA   1 15 LEU H    3.170 . 4.630 3.512 3.512 3.512     . 0 0 "[ ]" 1 
        195 1 14 PRO HA   1 70 GLY H    3.640 . 5.580 4.563 4.563 4.563     . 0 0 "[ ]" 1 
        196 1 14 PRO HB2  1 14 PRO HD2  3.850 . 6.000 3.992 3.992 3.992     . 0 0 "[ ]" 1 
        197 1 14 PRO HB2  1 14 PRO HD3  3.850 . 6.000 3.953 3.953 3.953     . 0 0 "[ ]" 1 
        198 1 14 PRO HB2  1 15 LEU H    3.580 . 5.460 3.385 3.385 3.385     . 0 0 "[ ]" 1 
        199 1 14 PRO HB2  1 15 LEU QD   3.850 . 6.000 3.069 3.069 3.069     . 0 0 "[ ]" 1 
        200 1 14 PRO HB3  1 14 PRO HD3  3.850 . 6.000 3.066 3.066 3.066     . 0 0 "[ ]" 1 
        201 1 14 PRO HB3  1 14 PRO HG2  2.620 . 3.540 2.971 2.971 2.971     . 0 0 "[ ]" 1 
        202 1 14 PRO HB3  1 15 LEU H    3.480 . 5.260 4.175 4.175 4.175     . 0 0 "[ ]" 1 
        203 1 14 PRO HB3  1 48 ILE MD   3.850 . 6.000 3.825 3.825 3.825     . 0 0 "[ ]" 1 
        204 1 14 PRO HD2  1 14 PRO HG2  2.570 . 3.440 2.282 2.282 2.282     . 0 0 "[ ]" 1 
        205 1 14 PRO HD2  1 14 PRO HG3  2.520 . 3.340 2.728 2.728 2.728     . 0 0 "[ ]" 1 
        206 1 14 PRO HD2  1 15 LEU H    2.790 . 3.880 2.526 2.526 2.526     . 0 0 "[ ]" 1 
        207 1 14 PRO HD2  1 39 LEU QD   3.850 . 6.000 2.248 2.248 2.248     . 0 0 "[ ]" 1 
        208 1 14 PRO HD2  1 48 ILE MD   3.290 . 4.870 2.355 2.355 2.355     . 0 0 "[ ]" 1 
        209 1 14 PRO HD2  1 73 LEU QD   3.850 . 6.000 2.796 2.796 2.796     . 0 0 "[ ]" 1 
        210 1 14 PRO HD3  1 14 PRO HG2  2.590 . 3.480 2.965 2.965 2.965     . 0 0 "[ ]" 1 
        211 1 14 PRO HD3  1 15 LEU H    3.520 . 5.330 3.777 3.777 3.777     . 0 0 "[ ]" 1 
        212 1 14 PRO HD3  1 39 LEU QD   3.850 . 6.000 3.349 3.349 3.349     . 0 0 "[ ]" 1 
        213 1 14 PRO HD3  1 48 ILE MD   3.370 . 5.040 2.346 2.346 2.346     . 0 0 "[ ]" 1 
        214 1 14 PRO HD3  1 73 LEU QD   3.850 . 6.000 2.955 2.955 2.955     . 0 0 "[ ]" 1 
        215 1 14 PRO HG2  1 15 LEU H    2.760 . 3.820 2.525 2.525 2.525     . 0 0 "[ ]" 1 
        216 1 14 PRO HG2  1 15 LEU QD   3.850 . 6.000 3.137 3.137 3.137     . 0 0 "[ ]" 1 
        217 1 14 PRO HG2  1 46 THR MG   3.850 . 6.000 3.313 3.313 3.313     . 0 0 "[ ]" 1 
        218 1 14 PRO HG2  1 48 ILE MD   3.850 . 6.000 2.760 2.760 2.760     . 0 0 "[ ]" 1 
        219 1 14 PRO HG3  1 15 LEU H    3.270 . 4.830 3.958 3.958 3.958     . 0 0 "[ ]" 1 
        220 1 14 PRO HG3  1 46 THR MG   3.850 . 6.000 3.287 3.287 3.287     . 0 0 "[ ]" 1 
        221 1 14 PRO HG3  1 48 ILE MD   3.850 . 6.000 2.122 2.122 2.122     . 0 0 "[ ]" 1 
        222 1 15 LEU H    1 15 LEU HA   2.580 . 3.470 2.877 2.877 2.877     . 0 0 "[ ]" 1 
        223 1 15 LEU H    1 15 LEU HB2  3.120 . 4.540 3.935 3.935 3.935     . 0 0 "[ ]" 1 
        224 1 15 LEU H    1 16 ALA H    3.470 . 5.240 4.345 4.345 4.345     . 0 0 "[ ]" 1 
        225 1 15 LEU H    1 69 GLY H    4.350 . 7.000 4.988 4.988 4.988     . 0 0 "[ ]" 1 
        226 1 15 LEU H    1 69 GLY QA   3.440 . 5.180 2.890 2.890 2.890     . 0 0 "[ ]" 1 
        227 1 15 LEU H    1 70 GLY H    3.800 . 5.900 4.231 4.231 4.231     . 0 0 "[ ]" 1 
        228 1 15 LEU H    1 71 GLN H    4.150 . 6.600 6.337 6.337 6.337     . 0 0 "[ ]" 1 
        229 1 15 LEU HA   1 15 LEU HB2  2.600 . 3.500 2.525 2.525 2.525     . 0 0 "[ ]" 1 
        230 1 15 LEU HA   1 15 LEU HB3  2.610 . 3.530 2.347 2.347 2.347     . 0 0 "[ ]" 1 
        231 1 15 LEU HA   1 15 LEU QD   3.850 . 6.000 3.385 3.385 3.385     . 0 0 "[ ]" 1 
        232 1 15 LEU HA   1 15 LEU HG   3.060 . 4.420 3.623 3.623 3.623     . 0 0 "[ ]" 1 
        233 1 15 LEU HA   1 16 ALA H    2.400 . 3.090 2.353 2.353 2.353     . 0 0 "[ ]" 1 
        234 1 15 LEU HA   1 69 GLY H    3.060 . 4.420 3.708 3.708 3.708     . 0 0 "[ ]" 1 
        235 1 15 LEU HA   1 69 GLY QA   2.770 . 3.840 2.262 2.262 2.262     . 0 0 "[ ]" 1 
        236 1 15 LEU HB2  1 15 LEU HG   2.560 . 3.410 2.978 2.978 2.978     . 0 0 "[ ]" 1 
        237 1 15 LEU HB2  1 16 ALA H    2.620 . 3.540 2.500 2.500 2.500     . 0 0 "[ ]" 1 
        238 1 15 LEU HB3  1 15 LEU HG   2.570 . 3.440 2.675 2.675 2.675     . 0 0 "[ ]" 1 
        239 1 15 LEU HB3  1 16 ALA H    2.730 . 3.770 3.659 3.659 3.659     . 0 0 "[ ]" 1 
        240 1 15 LEU HB3  1 41 ALA MB   3.850 . 6.000 4.980 4.980 4.980     . 0 0 "[ ]" 1 
        241 1 15 LEU QD   1 16 ALA H    4.120 . 6.540 3.206 3.206 3.206     . 0 0 "[ ]" 1 
        242 1 15 LEU QD   1 17 GLY H    4.350 . 7.000 3.057 3.057 3.057     . 0 0 "[ ]" 1 
        243 1 15 LEU QD   1 41 ALA MB   3.850 . 6.000 1.858 1.858 1.858     . 0 0 "[ ]" 1 
        244 1 15 LEU QD   1 46 THR MG   3.850 . 6.000 2.848 2.848 2.848     . 0 0 "[ ]" 1 
        245 1 15 LEU HG   1 48 ILE MD   3.850 . 6.000 4.461 4.461 4.461     . 0 0 "[ ]" 1 
        246 1 16 ALA H    1 16 ALA HA   2.580 . 3.470 2.885 2.885 2.885     . 0 0 "[ ]" 1 
        247 1 16 ALA H    1 17 GLY H    3.370 . 5.040 4.182 4.182 4.182     . 0 0 "[ ]" 1 
        248 1 16 ALA H    1 17 GLY QA   3.890 . 6.080 4.831 4.831 4.831     . 0 0 "[ ]" 1 
        249 1 16 ALA H    1 68 GLN HA   3.530 . 5.360 4.158 4.158 4.158     . 0 0 "[ ]" 1 
        250 1 16 ALA H    1 69 GLY H    3.410 . 5.120 2.813 2.813 2.813     . 0 0 "[ ]" 1 
        251 1 16 ALA H    1 69 GLY QA   3.560 . 5.420 3.005 3.005 3.005     . 0 0 "[ ]" 1 
        252 1 16 ALA HA   1 16 ALA MB   2.480 . 3.260 2.128 2.128 2.128     . 0 0 "[ ]" 1 
        253 1 16 ALA HA   1 17 GLY H    2.120 . 2.540 2.222 2.222 2.222     . 0 0 "[ ]" 1 
        254 1 16 ALA HA   1 67 VAL H    4.080 . 6.460 4.716 4.716 4.716     . 0 0 "[ ]" 1 
        255 1 16 ALA HA   1 67 VAL MG2  3.850 . 6.000 3.001 3.001 3.001     . 0 0 "[ ]" 1 
        256 1 16 ALA HA   1 68 GLN H    3.490 . 5.280 3.950 3.950 3.950     . 0 0 "[ ]" 1 
        257 1 16 ALA HA   1 68 GLN HA   2.580 . 3.460 2.006 2.006 2.006     . 0 0 "[ ]" 1 
        258 1 16 ALA HA   1 69 GLY H    2.910 . 4.120 2.466 2.466 2.466     . 0 0 "[ ]" 1 
        259 1 16 ALA MB   1 17 GLY H    3.420 . 5.140 3.547 3.547 3.547     . 0 0 "[ ]" 1 
        260 1 16 ALA MB   1 67 VAL H    4.350 . 7.000 4.921 4.921 4.921     . 0 0 "[ ]" 1 
        261 1 16 ALA MB   1 68 GLN HA   2.790 . 3.870 1.986 1.986 1.986     . 0 0 "[ ]" 1 
        262 1 16 ALA MB   1 68 GLN HB3  3.850 . 6.000 3.455 3.455 3.455     . 0 0 "[ ]" 1 
        263 1 16 ALA MB   1 68 GLN QG   3.850 . 6.000 2.386 2.386 2.386     . 0 0 "[ ]" 1 
        264 1 16 ALA MB   1 69 GLY H    3.550 . 5.400 1.984 1.984 1.984     . 0 0 "[ ]" 1 
        265 1 17 GLY H    1 17 GLY QA   2.620 . 3.540 2.384 2.384 2.384     . 0 0 "[ ]" 1 
        266 1 17 GLY H    1 18 THR H    3.230 . 4.760 4.025 4.025 4.025     . 0 0 "[ ]" 1 
        267 1 17 GLY H    1 66 ALA MB   4.350 . 7.000 5.666 5.666 5.666     . 0 0 "[ ]" 1 
        268 1 17 GLY H    1 67 VAL H    3.520 . 5.330 3.827 3.827 3.827     . 0 0 "[ ]" 1 
        269 1 17 GLY H    1 67 VAL HB   3.250 . 4.800 4.404 4.404 4.404     . 0 0 "[ ]" 1 
        270 1 17 GLY H    1 67 VAL MG1  3.760 . 5.820 4.739 4.739 4.739     . 0 0 "[ ]" 1 
        271 1 17 GLY H    1 67 VAL MG2  2.770 . 3.840 1.972 1.972 1.972     . 0 0 "[ ]" 1 
        272 1 17 GLY H    1 68 GLN HA   3.370 . 5.040 3.910 3.910 3.910     . 0 0 "[ ]" 1 
        273 1 17 GLY H    1 69 GLY H    3.660 . 5.620 4.610 4.610 4.610     . 0 0 "[ ]" 1 
        274 1 17 GLY QA   1 18 THR H    2.270 . 2.830 2.157 2.157 2.157     . 0 0 "[ ]" 1 
        275 1 17 GLY QA   1 40 GLU H    4.290 . 6.880 3.590 3.590 3.590     . 0 0 "[ ]" 1 
        276 1 17 GLY QA   1 41 ALA MB   3.850 . 6.000 2.021 2.021 2.021     . 0 0 "[ ]" 1 
        277 1 17 GLY QA   1 42 MET H    4.350 . 7.000 4.792 4.792 4.792     . 0 0 "[ ]" 1 
        278 1 17 GLY QA   1 67 VAL MG2  3.850 . 6.000 3.291 3.291 3.291     . 0 0 "[ ]" 1 
        279 1 18 THR H    1 18 THR HA   2.760 . 3.820 2.949 2.949 2.949     . 0 0 "[ ]" 1 
        280 1 18 THR H    1 18 THR HB   2.350 . 3.000 2.867 2.867 2.867     . 0 0 "[ ]" 1 
        281 1 18 THR H    1 18 THR MG   3.600 . 5.500 3.947 3.947 3.947     . 0 0 "[ ]" 1 
        282 1 18 THR H    1 39 LEU HA   3.060 . 4.420 4.156 4.156 4.156     . 0 0 "[ ]" 1 
        283 1 18 THR H    1 39 LEU QB   3.470 . 5.240 3.541 3.541 3.541     . 0 0 "[ ]" 1 
        284 1 18 THR H    1 39 LEU QD   3.600 . 5.500 2.756 2.756 2.756     . 0 0 "[ ]" 1 
        285 1 18 THR H    1 40 GLU H    2.710 . 3.730 2.237 2.237 2.237     . 0 0 "[ ]" 1 
        286 1 18 THR H    1 40 GLU HA   3.060 . 4.420 4.426 4.426 4.426 0.006 1 0 "[ ]" 1 
        287 1 18 THR H    1 40 GLU QB   3.100 . 4.500 3.454 3.454 3.454     . 0 0 "[ ]" 1 
        288 1 18 THR H    1 41 ALA HA   3.180 . 4.660 4.135 4.135 4.135     . 0 0 "[ ]" 1 
        289 1 18 THR H    1 41 ALA MB   3.850 . 6.000 3.345 3.345 3.345     . 0 0 "[ ]" 1 
        290 1 18 THR H    1 66 ALA HA   3.390 . 5.080 5.073 5.073 5.073     . 0 0 "[ ]" 1 
        291 1 18 THR HA   1 18 THR HB   2.670 . 3.630 3.023 3.023 3.023     . 0 0 "[ ]" 1 
        292 1 18 THR HA   1 18 THR MG   2.820 . 3.940 2.168 2.168 2.168     . 0 0 "[ ]" 1 
        293 1 18 THR HA   1 19 VAL H    2.900 . 4.090 2.198 2.198 2.198     . 0 0 "[ ]" 1 
        294 1 18 THR HA   1 19 VAL MG2  3.850 . 6.000 3.580 3.580 3.580     . 0 0 "[ ]" 1 
        295 1 18 THR HA   1 40 GLU H    4.350 . 7.000 4.440 4.440 4.440     . 0 0 "[ ]" 1 
        296 1 18 THR HA   1 65 ASP H    4.350 . 7.000 5.036 5.036 5.036     . 0 0 "[ ]" 1 
        297 1 18 THR HA   1 66 ALA H    3.330 . 4.950 4.924 4.924 4.924     . 0 0 "[ ]" 1 
        298 1 18 THR HA   1 66 ALA HA   2.390 . 3.080 2.289 2.289 2.289     . 0 0 "[ ]" 1 
        299 1 18 THR HA   1 66 ALA MB   3.850 . 6.000 3.812 3.812 3.812     . 0 0 "[ ]" 1 
        300 1 18 THR HA   1 67 VAL H    3.370 . 5.040 2.769 2.769 2.769     . 0 0 "[ ]" 1 
        301 1 18 THR HA   1 67 VAL MG2  3.850 . 6.000 2.918 2.918 2.918     . 0 0 "[ ]" 1 
        302 1 18 THR HB   1 40 GLU H    3.850 . 6.000 3.656 3.656 3.656     . 0 0 "[ ]" 1 
        303 1 18 THR HB   1 40 GLU QB   3.560 . 5.410 2.667 2.667 2.667     . 0 0 "[ ]" 1 
        304 1 18 THR MG   1 19 VAL H    4.170 . 6.630 2.330 2.330 2.330     . 0 0 "[ ]" 1 
        305 1 18 THR MG   1 40 GLU H    4.100 . 6.500 4.644 4.644 4.644     . 0 0 "[ ]" 1 
        306 1 18 THR MG   1 64 ARG H    4.010 . 6.330 4.120 4.120 4.120     . 0 0 "[ ]" 1 
        307 1 18 THR MG   1 64 ARG HA   2.790 . 3.880 3.179 3.179 3.179     . 0 0 "[ ]" 1 
        308 1 18 THR MG   1 65 ASP H    4.050 . 6.400 3.317 3.317 3.317     . 0 0 "[ ]" 1 
        309 1 18 THR MG   1 65 ASP HA   3.850 . 6.000 3.910 3.910 3.910     . 0 0 "[ ]" 1 
        310 1 18 THR MG   1 66 ALA H    4.350 . 7.000 3.880 3.880 3.880     . 0 0 "[ ]" 1 
        311 1 18 THR MG   1 66 ALA HA   3.850 . 6.000 2.530 2.530 2.530     . 0 0 "[ ]" 1 
        312 1 18 THR MG   1 67 VAL H    4.350 . 7.000 4.107 4.107 4.107     . 0 0 "[ ]" 1 
        313 1 19 VAL H    1 19 VAL HB   3.380 . 5.060 2.610 2.610 2.610     . 0 0 "[ ]" 1 
        314 1 19 VAL H    1 19 VAL MG1  4.350 . 7.000 3.764 3.764 3.764     . 0 0 "[ ]" 1 
        315 1 19 VAL H    1 19 VAL MG2  3.930 . 6.160 2.184 2.184 2.184     . 0 0 "[ ]" 1 
        316 1 19 VAL H    1 39 LEU HA   4.350 . 7.000 4.957 4.957 4.957     . 0 0 "[ ]" 1 
        317 1 19 VAL H    1 63 GLU HA   4.350 . 7.000 5.458 5.458 5.458     . 0 0 "[ ]" 1 
        318 1 19 VAL H    1 64 ARG H    4.100 . 6.500 4.797 4.797 4.797     . 0 0 "[ ]" 1 
        319 1 19 VAL H    1 64 ARG HA   4.350 . 7.000 4.905 4.905 4.905     . 0 0 "[ ]" 1 
        320 1 19 VAL H    1 65 ASP H    3.830 . 5.950 3.224 3.224 3.224     . 0 0 "[ ]" 1 
        321 1 19 VAL H    1 65 ASP HA   4.350 . 7.000 4.759 4.759 4.759     . 0 0 "[ ]" 1 
        322 1 19 VAL H    1 66 ALA HA   3.810 . 5.920 3.276 3.276 3.276     . 0 0 "[ ]" 1 
        323 1 19 VAL H    1 67 VAL MG2  4.350 . 7.000 3.426 3.426 3.426     . 0 0 "[ ]" 1 
        324 1 19 VAL HA   1 19 VAL MG1  2.710 . 3.710 2.180 2.180 2.180     . 0 0 "[ ]" 1 
        325 1 19 VAL HA   1 19 VAL MG2  2.720 . 3.740 2.344 2.344 2.344     . 0 0 "[ ]" 1 
        326 1 19 VAL HA   1 20 SER H    2.250 . 2.800 2.147 2.147 2.147     . 0 0 "[ ]" 1 
        327 1 19 VAL HA   1 21 LYS H    3.440 . 5.170 4.197 4.197 4.197     . 0 0 "[ ]" 1 
        328 1 19 VAL HA   1 37 LEU MD2  3.850 . 6.000 2.629 2.629 2.629     . 0 0 "[ ]" 1 
        329 1 19 VAL HA   1 39 LEU HA   2.720 . 3.740 2.812 2.812 2.812     . 0 0 "[ ]" 1 
        330 1 19 VAL HA   1 39 LEU QD   3.440 . 5.170 2.096 2.096 2.096     . 0 0 "[ ]" 1 
        331 1 19 VAL HA   1 40 GLU H    3.850 . 6.000 4.053 4.053 4.053     . 0 0 "[ ]" 1 
        332 1 19 VAL HA   1 64 ARG H    4.100 . 6.510 5.122 5.122 5.122     . 0 0 "[ ]" 1 
        333 1 19 VAL HA   1 65 ASP H    3.580 . 5.460 4.775 4.775 4.775     . 0 0 "[ ]" 1 
        334 1 19 VAL HB   1 20 SER H    3.480 . 5.260 4.139 4.139 4.139     . 0 0 "[ ]" 1 
        335 1 19 VAL HB   1 37 LEU MD1  3.850 . 6.000 4.151 4.151 4.151     . 0 0 "[ ]" 1 
        336 1 19 VAL HB   1 63 GLU H    3.530 . 5.360 4.960 4.960 4.960     . 0 0 "[ ]" 1 
        337 1 19 VAL HB   1 63 GLU HA   2.730 . 3.770 2.991 2.991 2.991     . 0 0 "[ ]" 1 
        338 1 19 VAL HB   1 64 ARG H    2.450 . 3.200 3.136 3.136 3.136     . 0 0 "[ ]" 1 
        339 1 19 VAL HB   1 65 ASP H    2.560 . 3.420 2.049 2.049 2.049     . 0 0 "[ ]" 1 
        340 1 19 VAL MG1  1 20 SER H    3.320 . 4.940 2.553 2.553 2.553     . 0 0 "[ ]" 1 
        341 1 19 VAL MG1  1 21 LYS H    3.640 . 5.580 3.124 3.124 3.124     . 0 0 "[ ]" 1 
        342 1 19 VAL MG1  1 22 ILE MD   3.800 . 6.000 3.565 3.565 3.565     . 0 0 "[ ]" 1 
        343 1 19 VAL MG1  1 39 LEU HG   3.850 . 6.000 4.773 4.773 4.773     . 0 0 "[ ]" 1 
        344 1 19 VAL MG1  1 61 VAL MG1  3.800 . 6.000 4.164 4.164 4.164     . 0 0 "[ ]" 1 
        345 1 19 VAL MG1  1 63 GLU HA   2.920 . 4.140 2.092 2.092 2.092     . 0 0 "[ ]" 1 
        346 1 19 VAL MG1  1 64 ARG H    3.910 . 6.120 3.355 3.355 3.355     . 0 0 "[ ]" 1 
        347 1 19 VAL MG1  1 65 ASP QB   3.850 . 6.000 3.776 3.776 3.776     . 0 0 "[ ]" 1 
        348 1 19 VAL MG2  1 20 SER H    3.720 . 5.740 4.100 4.100 4.100     . 0 0 "[ ]" 1 
        349 1 19 VAL MG2  1 21 LYS H    4.350 . 7.000 5.418 5.418 5.418     . 0 0 "[ ]" 1 
        350 1 19 VAL MG2  1 22 ILE QG   3.850 . 6.000 4.454 4.454 4.454     . 0 0 "[ ]" 1 
        351 1 19 VAL MG2  1 37 LEU QD   3.800 . 6.000 2.414 2.414 2.414     . 0 0 "[ ]" 1 
        352 1 19 VAL MG2  1 39 LEU HA   3.850 . 6.000 4.333 4.333 4.333     . 0 0 "[ ]" 1 
        353 1 19 VAL MG2  1 39 LEU QD   3.800 . 6.000 2.399 2.399 2.399     . 0 0 "[ ]" 1 
        354 1 19 VAL MG2  1 40 GLU H    4.350 . 7.000 5.167 5.167 5.167     . 0 0 "[ ]" 1 
        355 1 19 VAL MG2  1 61 VAL HB   3.850 . 6.000 1.978 1.978 1.978     . 0 0 "[ ]" 1 
        356 1 19 VAL MG2  1 62 LYS H    3.830 . 5.960 3.161 3.161 3.161     . 0 0 "[ ]" 1 
        357 1 19 VAL MG2  1 63 GLU H    4.350 . 7.000 5.261 5.261 5.261     . 0 0 "[ ]" 1 
        358 1 19 VAL MG2  1 63 GLU HA   3.850 . 6.000 4.259 4.259 4.259     . 0 0 "[ ]" 1 
        359 1 19 VAL MG2  1 64 ARG H    4.100 . 6.500 4.699 4.699 4.699     . 0 0 "[ ]" 1 
        360 1 19 VAL MG2  1 65 ASP H    3.790 . 5.880 3.182 3.182 3.182     . 0 0 "[ ]" 1 
        361 1 19 VAL MG2  1 65 ASP QB   3.850 . 6.000 2.307 2.307 2.307     . 0 0 "[ ]" 1 
        362 1 19 VAL MG2  1 66 ALA H    4.350 . 7.000 4.431 4.431 4.431     . 0 0 "[ ]" 1 
        363 1 19 VAL MG2  1 67 VAL H    4.350 . 7.000 3.994 3.994 3.994     . 0 0 "[ ]" 1 
        364 1 19 VAL MG2  1 67 VAL MG2  3.850 . 6.000 2.775 2.775 2.775     . 0 0 "[ ]" 1 
        365 1 20 SER H    1 20 SER HA   2.760 . 3.820 2.943 2.943 2.943     . 0 0 "[ ]" 1 
        366 1 20 SER H    1 20 SER QB   2.770 . 3.850 2.360 2.360 2.360     . 0 0 "[ ]" 1 
        367 1 20 SER H    1 21 LYS H    2.410 . 3.120 2.338 2.338 2.338     . 0 0 "[ ]" 1 
        368 1 20 SER H    1 37 LEU MD2  3.540 . 5.370 3.279 3.279 3.279     . 0 0 "[ ]" 1 
        369 1 20 SER H    1 37 LEU HG   4.350 . 7.000 4.102 4.102 4.102     . 0 0 "[ ]" 1 
        370 1 20 SER H    1 38 VAL HB   3.350 . 5.000 3.782 3.782 3.782     . 0 0 "[ ]" 1 
        371 1 20 SER H    1 39 LEU HA   2.600 . 3.500 2.924 2.924 2.924     . 0 0 "[ ]" 1 
        372 1 20 SER H    1 39 LEU QB   4.350 . 7.000 5.027 5.027 5.027     . 0 0 "[ ]" 1 
        373 1 20 SER H    1 39 LEU QD   3.550 . 5.400 3.456 3.456 3.456     . 0 0 "[ ]" 1 
        374 1 20 SER H    1 39 LEU HG   4.350 . 7.000 5.035 5.035 5.035     . 0 0 "[ ]" 1 
        375 1 20 SER H    1 40 GLU H    3.040 . 4.370 4.367 4.367 4.367     . 0 0 "[ ]" 1 
        376 1 20 SER H    1 64 ARG H    4.350 . 7.000 4.950 4.950 4.950     . 0 0 "[ ]" 1 
        377 1 20 SER HA   1 20 SER QB   2.610 . 3.530 2.489 2.489 2.489     . 0 0 "[ ]" 1 
        378 1 20 SER HA   1 21 LYS H    3.080 . 4.460 3.568 3.568 3.568     . 0 0 "[ ]" 1 
        379 1 20 SER HA   1 64 ARG H    3.690 . 5.670 3.687 3.687 3.687     . 0 0 "[ ]" 1 
        380 1 20 SER QB   1 21 LYS H    2.870 . 4.040 2.270 2.270 2.270     . 0 0 "[ ]" 1 
        381 1 20 SER QB   1 38 VAL HB   3.390 . 5.080 2.457 2.457 2.457     . 0 0 "[ ]" 1 
        382 1 20 SER QB   1 38 VAL QG   3.850 . 6.000 2.687 2.687 2.687     . 0 0 "[ ]" 1 
        383 1 20 SER QB   1 40 GLU H    4.260 . 6.820 4.033 4.033 4.033     . 0 0 "[ ]" 1 
        384 1 20 SER QB   1 40 GLU HA   3.850 . 6.000 4.495 4.495 4.495     . 0 0 "[ ]" 1 
        385 1 20 SER QB   1 40 GLU QB   3.850 . 6.000 3.189 3.189 3.189     . 0 0 "[ ]" 1 
        386 1 20 SER QB   1 64 ARG H    4.170 . 6.650 5.505 5.505 5.505     . 0 0 "[ ]" 1 
        387 1 21 LYS H    1 21 LYS HA   2.760 . 3.820 2.915 2.915 2.915     . 0 0 "[ ]" 1 
        388 1 21 LYS H    1 21 LYS QB   2.900 . 4.090 2.769 2.769 2.769     . 0 0 "[ ]" 1 
        389 1 21 LYS H    1 21 LYS QG   3.350 . 5.000 4.145 4.145 4.145     . 0 0 "[ ]" 1 
        390 1 21 LYS H    1 22 ILE H    3.220 . 4.740 4.332 4.332 4.332     . 0 0 "[ ]" 1 
        391 1 21 LYS H    1 22 ILE HA   4.350 . 7.000 4.659 4.659 4.659     . 0 0 "[ ]" 1 
        392 1 21 LYS H    1 22 ILE QG   3.640 . 5.580 4.538 4.538 4.538     . 0 0 "[ ]" 1 
        393 1 21 LYS H    1 37 LEU HA   3.370 . 5.040 5.038 5.038 5.038     . 0 0 "[ ]" 1 
        394 1 21 LYS H    1 38 VAL H    2.750 . 3.790 3.132 3.132 3.132     . 0 0 "[ ]" 1 
        395 1 21 LYS H    1 38 VAL HB   2.690 . 3.670 2.577 2.577 2.577     . 0 0 "[ ]" 1 
        396 1 21 LYS H    1 38 VAL QG   3.620 . 5.540 3.479 3.479 3.479     . 0 0 "[ ]" 1 
        397 1 21 LYS H    1 39 LEU HA   3.310 . 4.910 4.738 4.738 4.738     . 0 0 "[ ]" 1 
        398 1 21 LYS H    1 63 GLU QG   3.660 . 5.620 4.065 4.065 4.065     . 0 0 "[ ]" 1 
        399 1 21 LYS HA   1 21 LYS QB   2.670 . 3.640 2.393 2.393 2.393     . 0 0 "[ ]" 1 
        400 1 21 LYS HA   1 21 LYS QD   3.340 . 4.980 3.548 3.548 3.548     . 0 0 "[ ]" 1 
        401 1 21 LYS HA   1 21 LYS QG   2.900 . 4.090 2.219 2.219 2.219     . 0 0 "[ ]" 1 
        402 1 21 LYS HA   1 22 ILE H    2.070 . 2.440 2.248 2.248 2.248     . 0 0 "[ ]" 1 
        403 1 21 LYS HA   1 63 GLU H    3.670 . 5.640 5.645 5.645 5.645 0.005 1 0 "[ ]" 1 
        404 1 21 LYS HA   1 63 GLU QG   3.160 . 4.620 2.073 2.073 2.073     . 0 0 "[ ]" 1 
        405 1 21 LYS QB   1 22 ILE H    3.350 . 5.000 3.485 3.485 3.485     . 0 0 "[ ]" 1 
        406 1 21 LYS QB   1 38 VAL QG   3.500 . 5.300 2.875 2.875 2.875     . 0 0 "[ ]" 1 
        407 1 21 LYS QG   1 22 ILE H    3.440 . 5.170 2.043 2.043 2.043     . 0 0 "[ ]" 1 
        408 1 21 LYS QG   1 38 VAL H    3.560 . 5.420 4.842 4.842 4.842     . 0 0 "[ ]" 1 
        409 1 21 LYS QG   1 38 VAL HB   3.850 . 6.000 4.894 4.894 4.894     . 0 0 "[ ]" 1 
        410 1 21 LYS QG   1 38 VAL QG   3.850 . 6.000 3.965 3.965 3.965     . 0 0 "[ ]" 1 
        411 1 22 ILE H    1 22 ILE HA   2.770 . 3.830 2.946 2.946 2.946     . 0 0 "[ ]" 1 
        412 1 22 ILE H    1 22 ILE QG   2.730 . 3.760 2.332 2.332 2.332     . 0 0 "[ ]" 1 
        413 1 22 ILE H    1 22 ILE MG   3.520 . 5.340 3.822 3.822 3.822     . 0 0 "[ ]" 1 
        414 1 22 ILE H    1 23 LEU H    3.450 . 5.200 4.481 4.481 4.481     . 0 0 "[ ]" 1 
        415 1 22 ILE H    1 63 GLU QG   3.350 . 5.000 2.812 2.812 2.812     . 0 0 "[ ]" 1 
        416 1 22 ILE HA   1 22 ILE MD   3.380 . 5.060 3.896 3.896 3.896     . 0 0 "[ ]" 1 
        417 1 22 ILE HA   1 22 ILE QG   2.670 . 3.650 2.516 2.516 2.516     . 0 0 "[ ]" 1 
        418 1 22 ILE HA   1 22 ILE MG   2.770 . 3.850 2.358 2.358 2.358     . 0 0 "[ ]" 1 
        419 1 22 ILE HA   1 23 LEU H    2.360 . 3.030 2.166 2.166 2.166     . 0 0 "[ ]" 1 
        420 1 22 ILE HA   1 24 VAL H    2.920 . 4.130 3.850 3.850 3.850     . 0 0 "[ ]" 1 
        421 1 22 ILE HA   1 37 LEU HA   2.700 . 3.700 2.860 2.860 2.860     . 0 0 "[ ]" 1 
        422 1 22 ILE HA   1 37 LEU HB2  3.850 . 6.000 3.174 3.174 3.174     . 0 0 "[ ]" 1 
        423 1 22 ILE HA   1 37 LEU HB3  3.410 . 5.120 4.614 4.614 4.614     . 0 0 "[ ]" 1 
        424 1 22 ILE HA   1 37 LEU MD1  3.850 . 6.000 2.607 2.607 2.607     . 0 0 "[ ]" 1 
        425 1 22 ILE HA   1 38 VAL H    3.390 . 5.080 3.660 3.660 3.660     . 0 0 "[ ]" 1 
        426 1 22 ILE HB   1 22 ILE MD   2.710 . 3.720 2.257 2.257 2.257     . 0 0 "[ ]" 1 
        427 1 22 ILE HB   1 22 ILE QG   2.400 . 3.100 2.457 2.457 2.457     . 0 0 "[ ]" 1 
        428 1 22 ILE MD   1 22 ILE MG   3.220 . 4.740 2.167 2.167 2.167     . 0 0 "[ ]" 1 
        429 1 22 ILE MD   1 37 LEU QD   3.800 . 6.000 3.436 3.436 3.436     . 0 0 "[ ]" 1 
        430 1 22 ILE MD   1 59 VAL QG   3.800 . 6.000 2.835 2.835 2.835     . 0 0 "[ ]" 1 
        431 1 22 ILE MD   1 61 VAL MG2  3.800 . 6.000 3.593 3.593 3.593     . 0 0 "[ ]" 1 
        432 1 22 ILE MD   1 62 LYS H    3.850 . 6.000 4.535 4.535 4.535     . 0 0 "[ ]" 1 
        433 1 22 ILE MD   1 62 LYS HA   3.230 . 4.750 2.080 2.080 2.080     . 0 0 "[ ]" 1 
        434 1 22 ILE MD   1 63 GLU H    3.850 . 6.000 2.569 2.569 2.569     . 0 0 "[ ]" 1 
        435 1 22 ILE MD   1 63 GLU HA   3.850 . 6.000 3.920 3.920 3.920     . 0 0 "[ ]" 1 
        436 1 22 ILE MD   1 63 GLU QG   3.850 . 6.000 2.402 2.402 2.402     . 0 0 "[ ]" 1 
        437 1 22 ILE QG   1 63 GLU QG   3.150 . 4.600 2.123 2.123 2.123     . 0 0 "[ ]" 1 
        438 1 22 ILE MG   1 23 LEU H    3.060 . 4.420 2.363 2.363 2.363     . 0 0 "[ ]" 1 
        439 1 22 ILE MG   1 24 VAL H    2.770 . 3.830 2.243 2.243 2.243     . 0 0 "[ ]" 1 
        440 1 22 ILE MG   1 25 LYS H    4.350 . 7.000 4.543 4.543 4.543     . 0 0 "[ ]" 1 
        441 1 22 ILE MG   1 37 LEU H    4.350 . 7.000 5.724 5.724 5.724     . 0 0 "[ ]" 1 
        442 1 22 ILE MG   1 37 LEU HA   3.850 . 6.000 4.037 4.037 4.037     . 0 0 "[ ]" 1 
        443 1 22 ILE MG   1 37 LEU HB3  3.850 . 6.000 4.806 4.806 4.806     . 0 0 "[ ]" 1 
        444 1 22 ILE MG   1 59 VAL QG   3.800 . 6.000 2.547 2.547 2.547     . 0 0 "[ ]" 1 
        445 1 22 ILE MG   1 63 GLU H    4.350 . 7.000 5.500 5.500 5.500     . 0 0 "[ ]" 1 
        446 1 22 ILE MG   1 74 ILE MD   3.800 . 6.000 3.052 3.052 3.052     . 0 0 "[ ]" 1 
        447 1 22 ILE MG   1 74 ILE QG   3.850 . 6.000 4.208 4.208 4.208     . 0 0 "[ ]" 1 
        448 1 23 LEU H    1 23 LEU HA   2.760 . 3.820 2.943 2.943 2.943     . 0 0 "[ ]" 1 
        449 1 23 LEU H    1 24 VAL H    2.470 . 3.240 2.145 2.145 2.145     . 0 0 "[ ]" 1 
        450 1 23 LEU H    1 24 VAL MG1  4.350 . 7.000 4.076 4.076 4.076     . 0 0 "[ ]" 1 
        451 1 23 LEU H    1 24 VAL MG2  3.850 . 6.000 3.467 3.467 3.467     . 0 0 "[ ]" 1 
        452 1 23 LEU H    1 35 THR MG   4.350 . 7.000 4.985 4.985 4.985     . 0 0 "[ ]" 1 
        453 1 23 LEU H    1 36 VAL HA   3.460 . 5.210 4.306 4.306 4.306     . 0 0 "[ ]" 1 
        454 1 23 LEU H    1 36 VAL HB   3.630 . 5.560 5.066 5.066 5.066     . 0 0 "[ ]" 1 
        455 1 23 LEU H    1 37 LEU HA   2.730 . 3.760 2.472 2.472 2.472     . 0 0 "[ ]" 1 
        456 1 23 LEU H    1 37 LEU HB3  3.360 . 5.020 4.757 4.757 4.757     . 0 0 "[ ]" 1 
        457 1 23 LEU H    1 38 VAL H    3.420 . 5.140 4.256 4.256 4.256     . 0 0 "[ ]" 1 
        458 1 23 LEU HA   1 23 LEU HB2  2.600 . 3.500 2.994 2.994 2.994     . 0 0 "[ ]" 1 
        459 1 23 LEU HA   1 23 LEU HB3  2.600 . 3.500 2.598 2.598 2.598     . 0 0 "[ ]" 1 
        460 1 23 LEU HA   1 23 LEU QD   3.330 . 4.960 2.277 2.277 2.277     . 0 0 "[ ]" 1 
        461 1 23 LEU HA   1 23 LEU HG   2.540 . 3.370 2.620 2.620 2.620     . 0 0 "[ ]" 1 
        462 1 23 LEU HA   1 24 VAL H    3.060 . 4.420 3.518 3.518 3.518     . 0 0 "[ ]" 1 
        463 1 23 LEU HB2  1 24 VAL MG1  3.850 . 6.000 3.091 3.091 3.091     . 0 0 "[ ]" 1 
        464 1 23 LEU HB2  1 35 THR MG   3.850 . 6.000 3.598 3.598 3.598     . 0 0 "[ ]" 1 
        465 1 23 LEU HB2  1 36 VAL H    3.170 . 4.630 4.367 4.367 4.367     . 0 0 "[ ]" 1 
        466 1 23 LEU HB2  1 36 VAL HA   2.830 . 3.950 2.859 2.859 2.859     . 0 0 "[ ]" 1 
        467 1 23 LEU HB2  1 37 LEU H    3.160 . 4.620 3.856 3.856 3.856     . 0 0 "[ ]" 1 
        468 1 23 LEU HB3  1 23 LEU HG   2.380 . 3.060 3.000 3.000 3.000     . 0 0 "[ ]" 1 
        469 1 23 LEU HB3  1 24 VAL MG1  3.850 . 6.000 2.968 2.968 2.968     . 0 0 "[ ]" 1 
        470 1 23 LEU HB3  1 36 VAL HA   2.990 . 4.280 3.573 3.573 3.573     . 0 0 "[ ]" 1 
        471 1 23 LEU QD   1 35 THR H    4.350 . 7.000 4.125 4.125 4.125     . 0 0 "[ ]" 1 
        472 1 23 LEU QD   1 35 THR HB   3.850 . 6.000 2.016 2.016 2.016     . 0 0 "[ ]" 1 
        473 1 23 LEU QD   1 35 THR MG   3.850 . 6.000 1.777 1.777 1.777     . 0 0 "[ ]" 1 
        474 1 23 LEU QD   1 37 LEU HA   3.850 . 6.000 2.975 2.975 2.975     . 0 0 "[ ]" 1 
        475 1 23 LEU HG   1 37 LEU HA   3.850 . 6.000 3.556 3.556 3.556     . 0 0 "[ ]" 1 
        476 1 24 VAL H    1 24 VAL HA   2.760 . 3.820 2.956 2.956 2.956     . 0 0 "[ ]" 1 
        477 1 24 VAL H    1 24 VAL MG1  3.460 . 5.220 2.650 2.650 2.650     . 0 0 "[ ]" 1 
        478 1 24 VAL H    1 25 LYS H    3.450 . 5.200 4.517 4.517 4.517     . 0 0 "[ ]" 1 
        479 1 24 VAL H    1 36 VAL HA   3.180 . 4.660 3.574 3.574 3.574     . 0 0 "[ ]" 1 
        480 1 24 VAL H    1 36 VAL HB   3.550 . 5.400 4.118 4.118 4.118     . 0 0 "[ ]" 1 
        481 1 24 VAL HA   1 24 VAL HB   2.570 . 3.440 2.478 2.478 2.478     . 0 0 "[ ]" 1 
        482 1 24 VAL HA   1 24 VAL MG1  3.200 . 4.700 2.386 2.386 2.386     . 0 0 "[ ]" 1 
        483 1 24 VAL HA   1 25 LYS H    2.440 . 3.170 2.232 2.232 2.232     . 0 0 "[ ]" 1 
        484 1 24 VAL HA   1 56 VAL MG1  3.850 . 6.000 5.013 5.013 5.013     . 0 0 "[ ]" 1 
        485 1 24 VAL HA   1 56 VAL MG2  3.850 . 6.000 3.828 3.828 3.828     . 0 0 "[ ]" 1 
        486 1 24 VAL HB   1 25 LYS H    2.420 . 3.140 2.817 2.817 2.817     . 0 0 "[ ]" 1 
        487 1 24 VAL HB   1 28 ASP H    3.400 . 5.090 5.102 5.102 5.102 0.012 1 0 "[ ]" 1 
        488 1 24 VAL HB   1 28 ASP HB2  3.850 . 6.000 3.797 3.797 3.797     . 0 0 "[ ]" 1 
        489 1 24 VAL HB   1 30 VAL MG1  3.850 . 6.000 2.738 2.738 2.738     . 0 0 "[ ]" 1 
        490 1 24 VAL HB   1 56 VAL H    3.500 . 5.300 4.517 4.517 4.517     . 0 0 "[ ]" 1 
        491 1 24 VAL HB   1 56 VAL MG1  3.850 . 6.000 3.454 3.454 3.454     . 0 0 "[ ]" 1 
        492 1 24 VAL HB   1 56 VAL MG2  3.850 . 6.000 1.834 1.834 1.834     . 0 0 "[ ]" 1 
        493 1 24 VAL HB   1 74 ILE MD   3.850 . 6.000 4.095 4.095 4.095     . 0 0 "[ ]" 1 
        494 1 24 VAL MG1  1 24 VAL MG2  2.650 . 3.590 2.073 2.073 2.073     . 0 0 "[ ]" 1 
        495 1 24 VAL MG1  1 25 LYS H    3.650 . 5.590 3.791 3.791 3.791     . 0 0 "[ ]" 1 
        496 1 24 VAL MG1  1 28 ASP HB2  3.850 . 6.000 4.066 4.066 4.066     . 0 0 "[ ]" 1 
        497 1 24 VAL MG1  1 28 ASP HB3  3.850 . 6.000 4.118 4.118 4.118     . 0 0 "[ ]" 1 
        498 1 24 VAL MG1  1 34 GLN HE21 4.060 . 6.420 3.530 3.530 3.530     . 0 0 "[ ]" 1 
        499 1 24 VAL MG1  1 34 GLN HE22 4.050 . 6.400 4.148 4.148 4.148     . 0 0 "[ ]" 1 
        500 1 24 VAL MG1  1 36 VAL HA   2.990 . 4.280 2.038 2.038 2.038     . 0 0 "[ ]" 1 
        501 1 24 VAL MG1  1 36 VAL HB   3.850 . 6.000 2.696 2.696 2.696     . 0 0 "[ ]" 1 
        502 1 24 VAL MG1  1 37 LEU H    4.350 . 7.000 4.887 4.887 4.887     . 0 0 "[ ]" 1 
        503 1 24 VAL MG1  1 50 ALA H    4.350 . 7.000 5.537 5.537 5.537     . 0 0 "[ ]" 1 
        504 1 24 VAL MG2  1 25 LYS H    3.680 . 5.660 3.759 3.759 3.759     . 0 0 "[ ]" 1 
        505 1 24 VAL MG2  1 26 GLU H    4.170 . 6.630 5.531 5.531 5.531     . 0 0 "[ ]" 1 
        506 1 24 VAL MG2  1 36 VAL HA   3.850 . 6.000 2.606 2.606 2.606     . 0 0 "[ ]" 1 
        507 1 24 VAL MG2  1 36 VAL HB   2.650 . 3.610 1.956 1.956 1.956     . 0 0 "[ ]" 1 
        508 1 24 VAL MG2  1 56 VAL MG1  3.800 . 6.000 2.836 2.836 2.836     . 0 0 "[ ]" 1 
        509 1 24 VAL MG2  1 56 VAL MG2  3.800 . 6.000 1.909 1.909 1.909     . 0 0 "[ ]" 1 
        510 1 24 VAL MG2  1 74 ILE MD   3.800 . 6.000 1.936 1.936 1.936     . 0 0 "[ ]" 1 
        511 1 25 LYS H    1 25 LYS HA   2.750 . 3.810 2.949 2.949 2.949     . 0 0 "[ ]" 1 
        512 1 25 LYS H    1 25 LYS QB   2.940 . 4.180 3.126 3.126 3.126     . 0 0 "[ ]" 1 
        513 1 25 LYS H    1 25 LYS QG   2.950 . 4.200 2.224 2.224 2.224     . 0 0 "[ ]" 1 
        514 1 25 LYS H    1 28 ASP H    3.340 . 4.980 3.540 3.540 3.540     . 0 0 "[ ]" 1 
        515 1 25 LYS H    1 28 ASP HB2  2.950 . 4.200 2.418 2.418 2.418     . 0 0 "[ ]" 1 
        516 1 25 LYS H    1 28 ASP HB3  3.060 . 4.420 3.968 3.968 3.968     . 0 0 "[ ]" 1 
        517 1 25 LYS H    1 56 VAL HB   3.350 . 5.000 3.905 3.905 3.905     . 0 0 "[ ]" 1 
        518 1 25 LYS H    1 56 VAL MG1  4.350 . 7.000 4.048 4.048 4.048     . 0 0 "[ ]" 1 
        519 1 25 LYS H    1 56 VAL MG2  3.610 . 5.520 3.455 3.455 3.455     . 0 0 "[ ]" 1 
        520 1 25 LYS HA   1 26 GLU H    2.250 . 2.810 2.376 2.376 2.376     . 0 0 "[ ]" 1 
        521 1 25 LYS HA   1 59 VAL QG   3.350 . 5.000 2.449 2.449 2.449     . 0 0 "[ ]" 1 
        522 1 25 LYS QB   1 26 GLU H    2.610 . 3.530 2.447 2.447 2.447     . 0 0 "[ ]" 1 
        523 1 25 LYS QD   1 25 LYS QG   2.190 . 2.670 2.080 2.080 2.080     . 0 0 "[ ]" 1 
        524 1 25 LYS QG   1 26 GLU H    3.330 . 4.960 3.733 3.733 3.733     . 0 0 "[ ]" 1 
        525 1 25 LYS QG   1 28 ASP H    3.700 . 5.700 2.835 2.835 2.835     . 0 0 "[ ]" 1 
        526 1 26 GLU H    1 26 GLU HA   2.580 . 3.470 2.810 2.810 2.810     . 0 0 "[ ]" 1 
        527 1 26 GLU H    1 26 GLU QB   2.440 . 3.180 2.463 2.463 2.463     . 0 0 "[ ]" 1 
        528 1 26 GLU H    1 26 GLU QG   3.060 . 4.420 2.081 2.081 2.081     . 0 0 "[ ]" 1 
        529 1 26 GLU H    1 27 GLY H    3.390 . 5.080 4.307 4.307 4.307     . 0 0 "[ ]" 1 
        530 1 26 GLU H    1 28 ASP H    3.900 . 6.100 4.810 4.810 4.810     . 0 0 "[ ]" 1 
        531 1 26 GLU H    1 56 VAL MG1  3.860 . 6.020 3.358 3.358 3.358     . 0 0 "[ ]" 1 
        532 1 26 GLU H    1 59 VAL HB   3.510 . 5.320 4.611 4.611 4.611     . 0 0 "[ ]" 1 
        533 1 26 GLU H    1 59 VAL QG   3.850 . 6.000 2.715 2.715 2.715     . 0 0 "[ ]" 1 
        534 1 26 GLU H    1 74 ILE MG   4.350 . 7.000 5.586 5.586 5.586     . 0 0 "[ ]" 1 
        535 1 26 GLU HA   1 26 GLU QG   3.180 . 4.660 2.400 2.400 2.400     . 0 0 "[ ]" 1 
        536 1 26 GLU HA   1 27 GLY H    2.250 . 2.800 2.181 2.181 2.181     . 0 0 "[ ]" 1 
        537 1 26 GLU HA   1 28 ASP H    3.080 . 4.460 3.864 3.864 3.864     . 0 0 "[ ]" 1 
        538 1 26 GLU HA   1 56 VAL H    3.210 . 4.710 4.724 4.724 4.724 0.014 1 0 "[ ]" 1 
        539 1 26 GLU HA   1 56 VAL HB   2.500 . 3.310 2.717 2.717 2.717     . 0 0 "[ ]" 1 
        540 1 26 GLU HA   1 56 VAL MG1  2.690 . 3.670 2.544 2.544 2.544     . 0 0 "[ ]" 1 
        541 1 26 GLU HA   1 56 VAL MG2  3.850 . 6.000 4.315 4.315 4.315     . 0 0 "[ ]" 1 
        542 1 26 GLU HA   1 58 LYS H    3.930 . 6.160 4.611 4.611 4.611     . 0 0 "[ ]" 1 
        543 1 26 GLU QB   1 27 GLY H    3.160 . 4.620 3.616 3.616 3.616     . 0 0 "[ ]" 1 
        544 1 26 GLU QB   1 56 VAL MG1  3.850 . 6.000 3.886 3.886 3.886     . 0 0 "[ ]" 1 
        545 1 26 GLU QG   1 27 GLY H    3.390 . 5.080 4.279 4.279 4.279     . 0 0 "[ ]" 1 
        546 1 26 GLU QG   1 56 VAL MG1  3.850 . 6.000 2.484 2.484 2.484     . 0 0 "[ ]" 1 
        547 1 26 GLU QG   1 58 LYS H    3.690 . 5.670 3.211 3.211 3.211     . 0 0 "[ ]" 1 
        548 1 26 GLU QG   1 58 LYS HA   2.440 . 3.180 1.970 1.970 1.970     . 0 0 "[ ]" 1 
        549 1 26 GLU QG   1 59 VAL H    3.330 . 4.960 2.557 2.557 2.557     . 0 0 "[ ]" 1 
        550 1 27 GLY H    1 28 ASP H    2.810 . 3.930 2.285 2.285 2.285     . 0 0 "[ ]" 1 
        551 1 27 GLY H    1 28 ASP HB2  3.830 . 5.960 4.422 4.422 4.422     . 0 0 "[ ]" 1 
        552 1 27 GLY H    1 55 LYS QD   4.350 . 7.000 3.490 3.490 3.490     . 0 0 "[ ]" 1 
        553 1 27 GLY H    1 55 LYS QG   3.710 . 5.710 3.288 3.288 3.288     . 0 0 "[ ]" 1 
        554 1 27 GLY H    1 56 VAL HA   3.750 . 5.800 5.185 5.185 5.185     . 0 0 "[ ]" 1 
        555 1 27 GLY H    1 56 VAL MG1  3.480 . 5.250 3.950 3.950 3.950     . 0 0 "[ ]" 1 
        556 1 27 GLY H    1 56 VAL MG2  3.810 . 5.920 4.333 4.333 4.333     . 0 0 "[ ]" 1 
        557 1 27 GLY H    1 57 GLU HA   3.480 . 5.260 4.424 4.424 4.424     . 0 0 "[ ]" 1 
        558 1 27 GLY QA   1 28 ASP H    2.520 . 3.350 2.803 2.803 2.803     . 0 0 "[ ]" 1 
        559 1 27 GLY QA   1 55 LYS QD   3.850 . 6.000 2.918 2.918 2.918     . 0 0 "[ ]" 1 
        560 1 27 GLY QA   1 55 LYS QE   3.850 . 6.000 4.606 4.606 4.606     . 0 0 "[ ]" 1 
        561 1 28 ASP H    1 28 ASP HA   2.580 . 3.470 2.926 2.926 2.926     . 0 0 "[ ]" 1 
        562 1 28 ASP H    1 28 ASP HB2  2.510 . 3.320 2.359 2.359 2.359     . 0 0 "[ ]" 1 
        563 1 28 ASP H    1 28 ASP HB3  2.810 . 3.910 3.608 3.608 3.608     . 0 0 "[ ]" 1 
        564 1 28 ASP H    1 29 THR H    3.230 . 4.760 4.583 4.583 4.583     . 0 0 "[ ]" 1 
        565 1 28 ASP H    1 55 LYS HA   4.350 . 7.000 6.001 6.001 6.001     . 0 0 "[ ]" 1 
        566 1 28 ASP H    1 56 VAL H    3.170 . 4.630 4.437 4.437 4.437     . 0 0 "[ ]" 1 
        567 1 28 ASP H    1 56 VAL MG1  3.820 . 5.940 4.782 4.782 4.782     . 0 0 "[ ]" 1 
        568 1 28 ASP H    1 56 VAL MG2  3.850 . 6.000 4.188 4.188 4.188     . 0 0 "[ ]" 1 
        569 1 28 ASP HA   1 28 ASP HB2  2.710 . 3.710 3.020 3.020 3.020     . 0 0 "[ ]" 1 
        570 1 28 ASP HA   1 28 ASP HB3  2.600 . 3.500 2.548 2.548 2.548     . 0 0 "[ ]" 1 
        571 1 28 ASP HA   1 29 THR H    2.230 . 2.750 2.264 2.264 2.264     . 0 0 "[ ]" 1 
        572 1 28 ASP HB2  1 29 THR H    2.850 . 4.000 3.983 3.983 3.983     . 0 0 "[ ]" 1 
        573 1 28 ASP HB2  1 56 VAL H    3.480 . 5.260 4.875 4.875 4.875     . 0 0 "[ ]" 1 
        574 1 28 ASP HB2  1 56 VAL HB   3.850 . 6.000 4.257 4.257 4.257     . 0 0 "[ ]" 1 
        575 1 28 ASP HB2  1 56 VAL MG2  3.850 . 6.000 3.759 3.759 3.759     . 0 0 "[ ]" 1 
        576 1 28 ASP HB3  1 29 THR H    2.650 . 3.590 2.778 2.778 2.778     . 0 0 "[ ]" 1 
        577 1 28 ASP HB3  1 56 VAL H    3.600 . 5.500 5.460 5.460 5.460     . 0 0 "[ ]" 1 
        578 1 28 ASP HB3  1 56 VAL MG2  3.850 . 6.000 4.517 4.517 4.517     . 0 0 "[ ]" 1 
        579 1 29 THR H    1 29 THR HA   2.760 . 3.820 2.941 2.941 2.941     . 0 0 "[ ]" 1 
        580 1 29 THR H    1 29 THR HB   2.350 . 3.000 2.816 2.816 2.816     . 0 0 "[ ]" 1 
        581 1 29 THR H    1 29 THR MG   3.430 . 5.160 3.807 3.807 3.807     . 0 0 "[ ]" 1 
        582 1 29 THR H    1 30 VAL H    3.380 . 5.060 4.562 4.562 4.562     . 0 0 "[ ]" 1 
        583 1 29 THR H    1 30 VAL MG1  4.350 . 7.000 4.535 4.535 4.535     . 0 0 "[ ]" 1 
        584 1 29 THR H    1 55 LYS HA   3.360 . 5.020 4.888 4.888 4.888     . 0 0 "[ ]" 1 
        585 1 29 THR H    1 56 VAL MG2  4.350 . 7.000 5.250 5.250 5.250     . 0 0 "[ ]" 1 
        586 1 29 THR HA   1 29 THR HB   2.650 . 3.610 2.996 2.996 2.996     . 0 0 "[ ]" 1 
        587 1 29 THR HA   1 29 THR MG   2.800 . 3.900 2.117 2.117 2.117     . 0 0 "[ ]" 1 
        588 1 29 THR HA   1 30 VAL H    2.230 . 2.750 2.265 2.265 2.265     . 0 0 "[ ]" 1 
        589 1 29 THR HA   1 30 VAL MG1  3.850 . 6.000 3.492 3.492 3.492     . 0 0 "[ ]" 1 
        590 1 29 THR HA   1 30 VAL MG2  3.850 . 6.000 3.454 3.454 3.454     . 0 0 "[ ]" 1 
        591 1 29 THR HA   1 55 LYS H    3.460 . 5.210 4.761 4.761 4.761     . 0 0 "[ ]" 1 
        592 1 29 THR HA   1 55 LYS HA   2.730 . 3.760 2.002 2.002 2.002     . 0 0 "[ ]" 1 
        593 1 29 THR HA   1 55 LYS QB   3.850 . 6.000 3.026 3.026 3.026     . 0 0 "[ ]" 1 
        594 1 29 THR HA   1 56 VAL H    2.820 . 3.940 3.104 3.104 3.104     . 0 0 "[ ]" 1 
        595 1 29 THR HB   1 30 VAL H    2.830 . 3.970 3.565 3.565 3.565     . 0 0 "[ ]" 1 
        596 1 29 THR MG   1 30 VAL H    3.540 . 5.380 2.252 2.252 2.252     . 0 0 "[ ]" 1 
        597 1 29 THR MG   1 30 VAL MG2  3.850 . 6.000 3.478 3.478 3.478     . 0 0 "[ ]" 1 
        598 1 29 THR MG   1 54 GLY H    3.640 . 5.580 3.364 3.364 3.364     . 0 0 "[ ]" 1 
        599 1 29 THR MG   1 55 LYS HA   3.850 . 6.000 2.525 2.525 2.525     . 0 0 "[ ]" 1 
        600 1 29 THR MG   1 55 LYS QB   3.850 . 6.000 2.014 2.014 2.014     . 0 0 "[ ]" 1 
        601 1 29 THR MG   1 55 LYS QE   3.850 . 6.000 2.873 2.873 2.873     . 0 0 "[ ]" 1 
        602 1 30 VAL H    1 30 VAL HA   2.760 . 3.820 2.961 2.961 2.961     . 0 0 "[ ]" 1 
        603 1 30 VAL H    1 30 VAL HB   3.080 . 4.460 3.765 3.765 3.765     . 0 0 "[ ]" 1 
        604 1 30 VAL H    1 30 VAL MG1  3.440 . 5.170 2.858 2.858 2.858     . 0 0 "[ ]" 1 
        605 1 30 VAL H    1 30 VAL MG2  3.090 . 4.480 1.959 1.959 1.959     . 0 0 "[ ]" 1 
        606 1 30 VAL H    1 31 LYS H    3.870 . 6.040 4.469 4.469 4.469     . 0 0 "[ ]" 1 
        607 1 30 VAL H    1 54 GLY H    2.840 . 3.980 3.395 3.395 3.395     . 0 0 "[ ]" 1 
        608 1 30 VAL H    1 55 LYS HA   2.750 . 3.790 2.469 2.469 2.469     . 0 0 "[ ]" 1 
        609 1 30 VAL H    1 55 LYS QB   4.350 . 7.000 4.028 4.028 4.028     . 0 0 "[ ]" 1 
        610 1 30 VAL HA   1 30 VAL HB   2.460 . 3.230 2.498 2.498 2.498     . 0 0 "[ ]" 1 
        611 1 30 VAL HA   1 30 VAL MG1  2.770 . 3.850 2.352 2.352 2.352     . 0 0 "[ ]" 1 
        612 1 30 VAL HA   1 31 LYS H    2.460 . 3.210 2.448 2.448 2.448     . 0 0 "[ ]" 1 
        613 1 30 VAL HA   1 50 ALA MB   3.850 . 6.000 4.872 4.872 4.872     . 0 0 "[ ]" 1 
        614 1 30 VAL HB   1 31 LYS H    2.650 . 3.590 2.283 2.283 2.283     . 0 0 "[ ]" 1 
        615 1 30 VAL HB   1 50 ALA MB   3.850 . 6.000 2.883 2.883 2.883     . 0 0 "[ ]" 1 
        616 1 30 VAL HB   1 54 GLY H    3.310 . 4.920 4.796 4.796 4.796     . 0 0 "[ ]" 1 
        617 1 30 VAL MG1  1 31 LYS H    4.010 . 6.330 3.576 3.576 3.576     . 0 0 "[ ]" 1 
        618 1 30 VAL MG1  1 34 GLN HE21 4.100 . 6.500 3.641 3.641 3.641     . 0 0 "[ ]" 1 
        619 1 30 VAL MG1  1 34 GLN HE22 4.000 . 6.300 3.920 3.920 3.920     . 0 0 "[ ]" 1 
        620 1 30 VAL MG1  1 36 VAL HA   3.850 . 6.000 3.565 3.565 3.565     . 0 0 "[ ]" 1 
        621 1 30 VAL MG1  1 36 VAL MG1  3.800 . 6.000 2.483 2.483 2.483     . 0 0 "[ ]" 1 
        622 1 30 VAL MG1  1 50 ALA H    4.010 . 6.320 5.263 5.263 5.263     . 0 0 "[ ]" 1 
        623 1 30 VAL MG1  1 50 ALA MB   3.800 . 6.000 3.572 3.572 3.572     . 0 0 "[ ]" 1 
        624 1 30 VAL MG1  1 55 LYS HA   3.850 . 6.000 3.713 3.713 3.713     . 0 0 "[ ]" 1 
        625 1 30 VAL MG2  1 31 LYS H    4.100 . 6.500 3.404 3.404 3.404     . 0 0 "[ ]" 1 
        626 1 30 VAL MG2  1 32 ALA H    4.350 . 7.000 4.966 4.966 4.966     . 0 0 "[ ]" 1 
        627 1 30 VAL MG2  1 34 GLN H    4.350 . 7.000 5.831 5.831 5.831     . 0 0 "[ ]" 1 
        628 1 30 VAL MG2  1 36 VAL MG1  3.800 . 6.000 2.990 2.990 2.990     . 0 0 "[ ]" 1 
        629 1 30 VAL MG2  1 50 ALA H    4.350 . 7.000 5.087 5.087 5.087     . 0 0 "[ ]" 1 
        630 1 30 VAL MG2  1 50 ALA MB   3.850 . 6.000 2.638 2.638 2.638     . 0 0 "[ ]" 1 
        631 1 30 VAL MG2  1 52 THR H    4.350 . 7.000 4.997 4.997 4.997     . 0 0 "[ ]" 1 
        632 1 30 VAL MG2  1 53 ASP HA   3.850 . 6.000 3.458 3.458 3.458     . 0 0 "[ ]" 1 
        633 1 30 VAL MG2  1 54 GLY H    3.460 . 5.220 2.664 2.664 2.664     . 0 0 "[ ]" 1 
        634 1 30 VAL MG2  1 54 GLY QA   3.850 . 6.000 3.409 3.409 3.409     . 0 0 "[ ]" 1 
        635 1 30 VAL MG2  1 55 LYS H    4.350 . 7.000 3.833 3.833 3.833     . 0 0 "[ ]" 1 
        636 1 30 VAL MG2  1 55 LYS HA   3.850 . 6.000 2.663 2.663 2.663     . 0 0 "[ ]" 1 
        637 1 30 VAL MG2  1 76 ILE MD   3.800 . 6.000 2.106 2.106 2.106     . 0 0 "[ ]" 1 
        638 1 30 VAL MG2  1 76 ILE MG   3.800 . 6.000 2.598 2.598 2.598     . 0 0 "[ ]" 1 
        639 1 31 LYS H    1 31 LYS HA   2.580 . 3.460 2.957 2.957 2.957     . 0 0 "[ ]" 1 
        640 1 31 LYS H    1 31 LYS HB2  3.240 . 4.780 2.539 2.539 2.539     . 0 0 "[ ]" 1 
        641 1 31 LYS H    1 31 LYS QG   3.690 . 5.670 3.423 3.423 3.423     . 0 0 "[ ]" 1 
        642 1 31 LYS H    1 32 ALA H    3.830 . 5.960 4.439 4.439 4.439     . 0 0 "[ ]" 1 
        643 1 31 LYS H    1 34 GLN H    3.770 . 5.840 3.739 3.739 3.739     . 0 0 "[ ]" 1 
        644 1 31 LYS H    1 34 GLN HA   4.210 . 6.710 5.228 5.228 5.228     . 0 0 "[ ]" 1 
        645 1 31 LYS H    1 34 GLN HB2  3.640 . 5.580 3.143 3.143 3.143     . 0 0 "[ ]" 1 
        646 1 31 LYS H    1 34 GLN HB3  3.480 . 5.260 2.422 2.422 2.422     . 0 0 "[ ]" 1 
        647 1 31 LYS H    1 34 GLN HE22 4.350 . 7.000 4.635 4.635 4.635     . 0 0 "[ ]" 1 
        648 1 31 LYS H    1 34 GLN QG   4.000 . 6.290 4.284 4.284 4.284     . 0 0 "[ ]" 1 
        649 1 31 LYS H    1 50 ALA MB   3.850 . 6.000 3.605 3.605 3.605     . 0 0 "[ ]" 1 
        650 1 31 LYS H    1 53 ASP HA   4.270 . 6.850 4.523 4.523 4.523     . 0 0 "[ ]" 1 
        651 1 31 LYS H    1 54 GLY H    4.350 . 7.000 4.828 4.828 4.828     . 0 0 "[ ]" 1 
        652 1 31 LYS HA   1 31 LYS HB2  2.680 . 3.660 2.989 2.989 2.989     . 0 0 "[ ]" 1 
        653 1 31 LYS HA   1 31 LYS HB3  2.640 . 3.580 2.649 2.649 2.649     . 0 0 "[ ]" 1 
        654 1 31 LYS HA   1 31 LYS QD   3.850 . 6.000 3.824 3.824 3.824     . 0 0 "[ ]" 1 
        655 1 31 LYS HA   1 32 ALA H    2.420 . 3.130 2.259 2.259 2.259     . 0 0 "[ ]" 1 
        656 1 31 LYS HA   1 32 ALA MB   3.850 . 6.000 4.035 4.035 4.035     . 0 0 "[ ]" 1 
        657 1 31 LYS HA   1 34 GLN H    3.680 . 5.660 4.880 4.880 4.880     . 0 0 "[ ]" 1 
        658 1 31 LYS HA   1 53 ASP H    3.150 . 4.590 4.575 4.575 4.575     . 0 0 "[ ]" 1 
        659 1 31 LYS HA   1 53 ASP HA   2.590 . 3.480 2.217 2.217 2.217     . 0 0 "[ ]" 1 
        660 1 31 LYS HA   1 53 ASP HB3  3.850 . 6.000 2.998 2.998 2.998     . 0 0 "[ ]" 1 
        661 1 31 LYS HA   1 54 GLY H    2.750 . 3.800 3.268 3.268 3.268     . 0 0 "[ ]" 1 
        662 1 31 LYS HB2  1 31 LYS QG   2.580 . 3.460 2.301 2.301 2.301     . 0 0 "[ ]" 1 
        663 1 31 LYS HB2  1 32 ALA H    3.460 . 5.220 4.102 4.102 4.102     . 0 0 "[ ]" 1 
        664 1 31 LYS HB2  1 34 GLN H    3.580 . 5.460 3.620 3.620 3.620     . 0 0 "[ ]" 1 
        665 1 31 LYS HB3  1 32 ALA H    2.880 . 4.050 2.852 2.852 2.852     . 0 0 "[ ]" 1 
        666 1 31 LYS HB3  1 34 GLN H    3.470 . 5.240 3.723 3.723 3.723     . 0 0 "[ ]" 1 
        667 1 31 LYS QG   1 32 ALA H    3.660 . 5.620 3.418 3.418 3.418     . 0 0 "[ ]" 1 
        668 1 32 ALA H    1 32 ALA HA   2.750 . 3.810 2.814 2.814 2.814     . 0 0 "[ ]" 1 
        669 1 32 ALA H    1 32 ALA MB   3.030 . 4.360 2.141 2.141 2.141     . 0 0 "[ ]" 1 
        670 1 32 ALA H    1 33 GLY H    3.370 . 5.040 4.264 4.264 4.264     . 0 0 "[ ]" 1 
        671 1 32 ALA H    1 50 ALA MB   3.850 . 6.000 4.286 4.286 4.286     . 0 0 "[ ]" 1 
        672 1 32 ALA H    1 52 THR H    4.350 . 7.000 5.458 5.458 5.458     . 0 0 "[ ]" 1 
        673 1 32 ALA H    1 52 THR HA   3.330 . 4.960 4.028 4.028 4.028     . 0 0 "[ ]" 1 
        674 1 32 ALA H    1 52 THR HB   4.350 . 7.000 5.510 5.510 5.510     . 0 0 "[ ]" 1 
        675 1 32 ALA H    1 53 ASP H    3.110 . 4.520 3.302 3.302 3.302     . 0 0 "[ ]" 1 
        676 1 32 ALA H    1 53 ASP HA   2.800 . 3.900 2.537 2.537 2.537     . 0 0 "[ ]" 1 
        677 1 32 ALA H    1 53 ASP HB2  3.480 . 5.250 3.865 3.865 3.865     . 0 0 "[ ]" 1 
        678 1 32 ALA H    1 53 ASP HB3  3.660 . 5.620 2.528 2.528 2.528     . 0 0 "[ ]" 1 
        679 1 32 ALA H    1 54 GLY H    3.150 . 4.590 4.600 4.600 4.600 0.010 1 0 "[ ]" 1 
        680 1 32 ALA HA   1 32 ALA MB   2.480 . 3.260 2.122 2.122 2.122     . 0 0 "[ ]" 1 
        681 1 32 ALA HA   1 33 GLY H    2.130 . 2.570 2.205 2.205 2.205     . 0 0 "[ ]" 1 
        682 1 32 ALA HA   1 34 GLN H    2.890 . 4.080 4.032 4.032 4.032     . 0 0 "[ ]" 1 
        683 1 32 ALA HA   1 50 ALA MB   3.850 . 6.000 2.785 2.785 2.785     . 0 0 "[ ]" 1 
        684 1 32 ALA HA   1 52 THR H    3.040 . 4.380 3.625 3.625 3.625     . 0 0 "[ ]" 1 
        685 1 32 ALA HA   1 52 THR HA   3.000 . 4.300 3.155 3.155 3.155     . 0 0 "[ ]" 1 
        686 1 32 ALA HA   1 52 THR MG   3.850 . 6.000 4.749 4.749 4.749     . 0 0 "[ ]" 1 
        687 1 32 ALA HA   1 53 ASP H    3.580 . 5.460 4.172 4.172 4.172     . 0 0 "[ ]" 1 
        688 1 32 ALA MB   1 33 GLY H    3.100 . 4.500 3.519 3.519 3.519     . 0 0 "[ ]" 1 
        689 1 32 ALA MB   1 34 GLN H    4.100 . 6.500 4.708 4.708 4.708     . 0 0 "[ ]" 1 
        690 1 32 ALA MB   1 52 THR H    3.980 . 6.260 3.736 3.736 3.736     . 0 0 "[ ]" 1 
        691 1 32 ALA MB   1 52 THR HA   2.790 . 3.890 1.847 1.847 1.847     . 0 0 "[ ]" 1 
        692 1 32 ALA MB   1 52 THR HB   3.850 . 6.000 3.715 3.715 3.715     . 0 0 "[ ]" 1 
        693 1 32 ALA MB   1 53 ASP H    3.030 . 4.360 2.238 2.238 2.238     . 0 0 "[ ]" 1 
        694 1 33 GLY H    1 33 GLY QA   2.580 . 3.470 2.407 2.407 2.407     . 0 0 "[ ]" 1 
        695 1 33 GLY H    1 34 GLN H    2.750 . 3.790 2.545 2.545 2.545     . 0 0 "[ ]" 1 
        696 1 33 GLY H    1 34 GLN HB3  4.350 . 7.000 4.552 4.552 4.552     . 0 0 "[ ]" 1 
        697 1 33 GLY H    1 49 ASN QB   3.520 . 5.330 3.219 3.219 3.219     . 0 0 "[ ]" 1 
        698 1 33 GLY H    1 50 ALA H    3.420 . 5.140 3.148 3.148 3.148     . 0 0 "[ ]" 1 
        699 1 33 GLY H    1 50 ALA MB   3.680 . 5.660 2.720 2.720 2.720     . 0 0 "[ ]" 1 
        700 1 33 GLY H    1 52 THR H    3.800 . 5.900 5.162 5.162 5.162     . 0 0 "[ ]" 1 
        701 1 33 GLY QA   1 34 GLN H    2.870 . 4.040 2.751 2.751 2.751     . 0 0 "[ ]" 1 
        702 1 33 GLY QA   1 49 ASN QB   2.800 . 3.900 2.375 2.375 2.375     . 0 0 "[ ]" 1 
        703 1 34 GLN H    1 34 GLN HA   2.580 . 3.470 2.828 2.828 2.828     . 0 0 "[ ]" 1 
        704 1 34 GLN H    1 34 GLN HB2  2.530 . 3.360 2.390 2.390 2.390     . 0 0 "[ ]" 1 
        705 1 34 GLN H    1 34 GLN HB3  2.520 . 3.340 2.724 2.724 2.724     . 0 0 "[ ]" 1 
        706 1 34 GLN H    1 34 GLN QG   3.190 . 4.680 3.935 3.935 3.935     . 0 0 "[ ]" 1 
        707 1 34 GLN H    1 35 THR H    3.260 . 4.820 4.621 4.621 4.621     . 0 0 "[ ]" 1 
        708 1 34 GLN H    1 36 VAL MG1  4.350 . 7.000 4.968 4.968 4.968     . 0 0 "[ ]" 1 
        709 1 34 GLN H    1 49 ASN HA   3.870 . 6.040 5.065 5.065 5.065     . 0 0 "[ ]" 1 
        710 1 34 GLN H    1 49 ASN QB   3.640 . 5.580 4.197 4.197 4.197     . 0 0 "[ ]" 1 
        711 1 34 GLN H    1 50 ALA H    3.340 . 4.980 4.103 4.103 4.103     . 0 0 "[ ]" 1 
        712 1 34 GLN H    1 50 ALA MB   3.680 . 5.660 3.711 3.711 3.711     . 0 0 "[ ]" 1 
        713 1 34 GLN HA   1 34 GLN HB2  2.500 . 3.300 2.556 2.556 2.556     . 0 0 "[ ]" 1 
        714 1 34 GLN HA   1 34 GLN HB3  2.610 . 3.520 3.017 3.017 3.017     . 0 0 "[ ]" 1 
        715 1 34 GLN HA   1 34 GLN QG   2.600 . 3.500 2.266 2.266 2.266     . 0 0 "[ ]" 1 
        716 1 34 GLN HA   1 35 THR H    2.170 . 2.650 2.213 2.213 2.213     . 0 0 "[ ]" 1 
        717 1 34 GLN HA   1 35 THR HB   3.460 . 5.220 4.886 4.886 4.886     . 0 0 "[ ]" 1 
        718 1 34 GLN HA   1 50 ALA H    3.680 . 5.660 5.045 5.045 5.045     . 0 0 "[ ]" 1 
        719 1 34 GLN HB2  1 50 ALA H    4.350 . 7.000 5.554 5.554 5.554     . 0 0 "[ ]" 1 
        720 1 34 GLN HB3  1 34 GLN QG   2.520 . 3.330 2.358 2.358 2.358     . 0 0 "[ ]" 1 
        721 1 34 GLN HB3  1 35 THR H    3.040 . 4.380 3.825 3.825 3.825     . 0 0 "[ ]" 1 
        722 1 34 GLN HB3  1 36 VAL MG1  3.850 . 6.000 3.790 3.790 3.790     . 0 0 "[ ]" 1 
        723 1 34 GLN HB3  1 50 ALA H    3.460 . 5.210 4.363 4.363 4.363     . 0 0 "[ ]" 1 
        724 1 34 GLN HB3  1 50 ALA MB   3.850 . 6.000 3.816 3.816 3.816     . 0 0 "[ ]" 1 
        725 1 34 GLN HE21 1 35 THR H    4.350 . 7.000 4.542 4.542 4.542     . 0 0 "[ ]" 1 
        726 1 34 GLN HE22 1 34 GLN QG   3.480 . 5.260 3.291 3.291 3.291     . 0 0 "[ ]" 1 
        727 1 34 GLN QG   1 35 THR H    2.990 . 4.280 2.306 2.306 2.306     . 0 0 "[ ]" 1 
        728 1 34 GLN QG   1 36 VAL MG1  3.850 . 6.000 4.227 4.227 4.227     . 0 0 "[ ]" 1 
        729 1 34 GLN QG   1 50 ALA H    4.020 . 6.350 5.311 5.311 5.311     . 0 0 "[ ]" 1 
        730 1 35 THR H    1 35 THR HA   2.760 . 3.820 2.842 2.842 2.842     . 0 0 "[ ]" 1 
        731 1 35 THR H    1 35 THR HB   2.250 . 2.790 2.679 2.679 2.679     . 0 0 "[ ]" 1 
        732 1 35 THR H    1 35 THR MG   3.480 . 5.260 3.749 3.749 3.749     . 0 0 "[ ]" 1 
        733 1 35 THR H    1 36 VAL H    3.310 . 4.920 4.598 4.598 4.598     . 0 0 "[ ]" 1 
        734 1 35 THR H    1 36 VAL HA   3.660 . 5.620 5.442 5.442 5.442     . 0 0 "[ ]" 1 
        735 1 35 THR H    1 36 VAL MG1  4.350 . 7.000 4.762 4.762 4.762     . 0 0 "[ ]" 1 
        736 1 35 THR H    1 49 ASN HA   3.270 . 4.840 4.323 4.323 4.323     . 0 0 "[ ]" 1 
        737 1 35 THR H    1 50 ALA MB   4.350 . 7.000 5.822 5.822 5.822     . 0 0 "[ ]" 1 
        738 1 35 THR HA   1 35 THR HB   2.670 . 3.630 3.022 3.022 3.022     . 0 0 "[ ]" 1 
        739 1 35 THR HA   1 35 THR MG   2.610 . 3.520 2.325 2.325 2.325     . 0 0 "[ ]" 1 
        740 1 35 THR HA   1 36 VAL H    2.170 . 2.640 2.186 2.186 2.186     . 0 0 "[ ]" 1 
        741 1 35 THR HA   1 36 VAL MG2  3.850 . 6.000 3.752 3.752 3.752     . 0 0 "[ ]" 1 
        742 1 35 THR HA   1 37 LEU H    2.790 . 3.890 3.860 3.860 3.860     . 0 0 "[ ]" 1 
        743 1 35 THR HA   1 49 ASN H    3.290 . 4.870 4.371 4.371 4.371     . 0 0 "[ ]" 1 
        744 1 35 THR HA   1 49 ASN HA   2.480 . 3.250 2.211 2.211 2.211     . 0 0 "[ ]" 1 
        745 1 35 THR HA   1 49 ASN QB   3.850 . 6.000 3.939 3.939 3.939     . 0 0 "[ ]" 1 
        746 1 35 THR HA   1 50 ALA H    2.820 . 3.940 3.802 3.802 3.802     . 0 0 "[ ]" 1 
        747 1 35 THR HB   1 36 VAL H    3.140 . 4.580 3.926 3.926 3.926     . 0 0 "[ ]" 1 
        748 1 35 THR HB   1 37 LEU H    3.490 . 5.280 4.767 4.767 4.767     . 0 0 "[ ]" 1 
        749 1 35 THR MG   1 36 VAL H    3.500 . 5.290 2.241 2.241 2.241     . 0 0 "[ ]" 1 
        750 1 35 THR MG   1 37 LEU H    3.000 . 4.290 2.332 2.332 2.332     . 0 0 "[ ]" 1 
        751 1 35 THR MG   1 38 VAL H    4.350 . 7.000 4.391 4.391 4.391     . 0 0 "[ ]" 1 
        752 1 35 THR MG   1 47 GLU HA   3.850 . 6.000 3.069 3.069 3.069     . 0 0 "[ ]" 1 
        753 1 35 THR MG   1 47 GLU QB   2.750 . 3.810 1.999 1.999 1.999     . 0 0 "[ ]" 1 
        754 1 35 THR MG   1 47 GLU QG   3.850 . 6.000 3.073 3.073 3.073     . 0 0 "[ ]" 1 
        755 1 35 THR MG   1 48 ILE H    3.850 . 6.000 2.402 2.402 2.402     . 0 0 "[ ]" 1 
        756 1 35 THR MG   1 49 ASN HA   3.850 . 6.000 3.836 3.836 3.836     . 0 0 "[ ]" 1 
        757 1 35 THR MG   1 50 ALA H    4.350 . 7.000 5.309 5.309 5.309     . 0 0 "[ ]" 1 
        758 1 36 VAL H    1 36 VAL HA   2.770 . 3.850 2.958 2.958 2.958     . 0 0 "[ ]" 1 
        759 1 36 VAL H    1 36 VAL HB   2.890 . 4.080 3.761 3.761 3.761     . 0 0 "[ ]" 1 
        760 1 36 VAL H    1 36 VAL MG1  3.170 . 4.630 2.718 2.718 2.718     . 0 0 "[ ]" 1 
        761 1 36 VAL H    1 36 VAL MG2  2.900 . 4.100 1.943 1.943 1.943     . 0 0 "[ ]" 1 
        762 1 36 VAL H    1 37 LEU H    2.350 . 3.000 1.979 1.979 1.979     . 0 0 "[ ]" 1 
        763 1 36 VAL H    1 48 ILE HB   4.350 . 7.000 3.326 3.326 3.326     . 0 0 "[ ]" 1 
        764 1 36 VAL H    1 49 ASN H    3.650 . 5.590 4.678 4.678 4.678     . 0 0 "[ ]" 1 
        765 1 36 VAL H    1 49 ASN HA   2.620 . 3.540 3.041 3.041 3.041     . 0 0 "[ ]" 1 
        766 1 36 VAL H    1 50 ALA H    3.040 . 4.380 4.061 4.061 4.061     . 0 0 "[ ]" 1 
        767 1 36 VAL HA   1 36 VAL HB   2.600 . 3.500 2.445 2.445 2.445     . 0 0 "[ ]" 1 
        768 1 36 VAL HA   1 36 VAL MG1  2.730 . 3.770 2.270 2.270 2.270     . 0 0 "[ ]" 1 
        769 1 36 VAL HA   1 36 VAL MG2  3.540 . 5.370 3.200 3.200 3.200     . 0 0 "[ ]" 1 
        770 1 36 VAL HA   1 37 LEU H    3.390 . 5.080 3.505 3.505 3.505     . 0 0 "[ ]" 1 
        771 1 36 VAL HB   1 37 LEU H    3.100 . 4.500 3.913 3.913 3.913     . 0 0 "[ ]" 1 
        772 1 36 VAL HB   1 74 ILE MD   3.340 . 4.980 2.439 2.439 2.439     . 0 0 "[ ]" 1 
        773 1 36 VAL MG1  1 36 VAL MG2  2.440 . 3.190 2.019 2.019 2.019     . 0 0 "[ ]" 1 
        774 1 36 VAL MG1  1 37 LEU H    3.850 . 6.000 3.906 3.906 3.906     . 0 0 "[ ]" 1 
        775 1 36 VAL MG1  1 49 ASN H    3.850 . 6.000 5.005 5.005 5.005     . 0 0 "[ ]" 1 
        776 1 36 VAL MG1  1 49 ASN HA   3.850 . 6.000 3.107 3.107 3.107     . 0 0 "[ ]" 1 
        777 1 36 VAL MG1  1 50 ALA H    3.600 . 5.500 2.267 2.267 2.267     . 0 0 "[ ]" 1 
        778 1 36 VAL MG1  1 50 ALA MB   3.850 . 6.000 2.066 2.066 2.066     . 0 0 "[ ]" 1 
        779 1 36 VAL MG2  1 37 LEU H    2.710 . 3.710 1.970 1.970 1.970     . 0 0 "[ ]" 1 
        780 1 36 VAL MG2  1 37 LEU HB2  3.850 . 6.000 3.199 3.199 3.199     . 0 0 "[ ]" 1 
        781 1 36 VAL MG2  1 37 LEU HB3  3.850 . 6.000 2.745 2.745 2.745     . 0 0 "[ ]" 1 
        782 1 36 VAL MG2  1 48 ILE HB   2.790 . 3.890 2.246 2.246 2.246     . 0 0 "[ ]" 1 
        783 1 36 VAL MG2  1 48 ILE QG   3.850 . 6.000 3.738 3.738 3.738     . 0 0 "[ ]" 1 
        784 1 36 VAL MG2  1 49 ASN HA   3.850 . 6.000 3.532 3.532 3.532     . 0 0 "[ ]" 1 
        785 1 36 VAL MG2  1 50 ALA H    3.720 . 5.740 3.617 3.617 3.617     . 0 0 "[ ]" 1 
        786 1 36 VAL MG2  1 50 ALA HA   3.850 . 6.000 3.288 3.288 3.288     . 0 0 "[ ]" 1 
        787 1 36 VAL MG2  1 50 ALA MB   3.800 . 6.000 3.522 3.522 3.522     . 0 0 "[ ]" 1 
        788 1 36 VAL MG2  1 74 ILE MD   3.800 . 6.000 2.065 2.065 2.065     . 0 0 "[ ]" 1 
        789 1 37 LEU H    1 37 LEU HA   2.760 . 3.820 2.885 2.885 2.885     . 0 0 "[ ]" 1 
        790 1 37 LEU H    1 37 LEU HB2  2.960 . 4.220 3.481 3.481 3.481     . 0 0 "[ ]" 1 
        791 1 37 LEU H    1 37 LEU HB3  2.960 . 4.220 2.940 2.940 2.940     . 0 0 "[ ]" 1 
        792 1 37 LEU H    1 38 VAL H    3.310 . 4.910 4.303 4.303 4.303     . 0 0 "[ ]" 1 
        793 1 37 LEU H    1 48 ILE H    3.140 . 4.580 3.138 3.138 3.138     . 0 0 "[ ]" 1 
        794 1 37 LEU H    1 48 ILE HB   2.770 . 3.830 2.370 2.370 2.370     . 0 0 "[ ]" 1 
        795 1 37 LEU H    1 49 ASN HA   3.250 . 4.800 4.759 4.759 4.759     . 0 0 "[ ]" 1 
        796 1 37 LEU HA   1 37 LEU HB2  2.700 . 3.700 2.413 2.413 2.413     . 0 0 "[ ]" 1 
        797 1 37 LEU HA   1 37 LEU HB3  2.850 . 4.000 3.016 3.016 3.016     . 0 0 "[ ]" 1 
        798 1 37 LEU HA   1 37 LEU HG   3.850 . 6.000 2.567 2.567 2.567     . 0 0 "[ ]" 1 
        799 1 37 LEU HA   1 38 VAL H    2.190 . 2.690 2.261 2.261 2.261     . 0 0 "[ ]" 1 
        800 1 37 LEU HA   1 74 ILE MD   3.850 . 6.000 4.559 4.559 4.559     . 0 0 "[ ]" 1 
        801 1 37 LEU HB2  1 37 LEU MD1  3.430 . 5.160 2.076 2.076 2.076     . 0 0 "[ ]" 1 
        802 1 37 LEU HB2  1 38 VAL H    2.870 . 4.040 3.908 3.908 3.908     . 0 0 "[ ]" 1 
        803 1 37 LEU HB2  1 74 ILE MD   3.850 . 6.000 2.756 2.756 2.756     . 0 0 "[ ]" 1 
        804 1 37 LEU HB3  1 38 VAL H    3.850 . 6.000 3.925 3.925 3.925     . 0 0 "[ ]" 1 
        805 1 37 LEU HB3  1 48 ILE H    3.900 . 6.090 4.702 4.702 4.702     . 0 0 "[ ]" 1 
        806 1 37 LEU HB3  1 48 ILE HB   2.730 . 3.750 2.838 2.838 2.838     . 0 0 "[ ]" 1 
        807 1 37 LEU QD   1 39 LEU QD   3.800 . 6.000 2.189 2.189 2.189     . 0 0 "[ ]" 1 
        808 1 37 LEU QD   1 48 ILE MD   3.800 . 6.000 3.643 3.643 3.643     . 0 0 "[ ]" 1 
        809 1 37 LEU QD   1 61 VAL MG2  3.800 . 6.000 1.842 1.842 1.842     . 0 0 "[ ]" 1 
        810 1 37 LEU QD   1 74 ILE MD   3.800 . 6.000 2.848 2.848 2.848     . 0 0 "[ ]" 1 
        811 1 37 LEU MD1  1 48 ILE HB   3.850 . 6.000 5.008 5.008 5.008     . 0 0 "[ ]" 1 
        812 1 37 LEU MD2  1 38 VAL H    3.850 . 6.000 2.778 2.778 2.778     . 0 0 "[ ]" 1 
        813 1 37 LEU MD2  1 38 VAL HA   3.850 . 6.000 3.218 3.218 3.218     . 0 0 "[ ]" 1 
        814 1 37 LEU MD2  1 48 ILE HB   3.850 . 6.000 3.443 3.443 3.443     . 0 0 "[ ]" 1 
        815 1 37 LEU MD2  1 48 ILE QG   3.850 . 6.000 2.366 2.366 2.366     . 0 0 "[ ]" 1 
        816 1 37 LEU HG   1 38 VAL H    3.290 . 4.870 2.072 2.072 2.072     . 0 0 "[ ]" 1 
        817 1 38 VAL H    1 38 VAL HA   2.760 . 3.820 2.949 2.949 2.949     . 0 0 "[ ]" 1 
        818 1 38 VAL H    1 38 VAL HB   2.580 . 3.460 2.610 2.610 2.610     . 0 0 "[ ]" 1 
        819 1 38 VAL HA   1 38 VAL QG   2.880 . 4.050 2.103 2.103 2.103     . 0 0 "[ ]" 1 
        820 1 38 VAL HA   1 39 LEU H    2.110 . 2.530 2.192 2.192 2.192     . 0 0 "[ ]" 1 
        821 1 38 VAL HA   1 46 THR H    3.290 . 4.870 4.803 4.803 4.803     . 0 0 "[ ]" 1 
        822 1 38 VAL HA   1 47 GLU HA   2.680 . 3.660 2.497 2.497 2.497     . 0 0 "[ ]" 1 
        823 1 38 VAL HA   1 48 ILE H    3.100 . 4.500 3.112 3.112 3.112     . 0 0 "[ ]" 1 
        824 1 38 VAL HB   1 39 LEU H    3.020 . 4.330 3.983 3.983 3.983     . 0 0 "[ ]" 1 
        825 1 38 VAL QG   1 39 LEU HA   3.850 . 6.000 3.707 3.707 3.707     . 0 0 "[ ]" 1 
        826 1 38 VAL QG   1 40 GLU H    4.350 . 7.000 4.788 4.788 4.788     . 0 0 "[ ]" 1 
        827 1 38 VAL QG   1 45 GLU HA   3.850 . 6.000 3.565 3.565 3.565     . 0 0 "[ ]" 1 
        828 1 38 VAL QG   1 45 GLU HB2  3.850 . 6.000 4.154 4.154 4.154     . 0 0 "[ ]" 1 
        829 1 38 VAL QG   1 45 GLU HB3  3.850 . 6.000 2.794 2.794 2.794     . 0 0 "[ ]" 1 
        830 1 38 VAL QG   1 45 GLU QG   3.850 . 6.000 2.980 2.980 2.980     . 0 0 "[ ]" 1 
        831 1 38 VAL QG   1 46 THR H    3.250 . 4.800 3.152 3.152 3.152     . 0 0 "[ ]" 1 
        832 1 38 VAL QG   1 46 THR HA   3.850 . 6.000 4.449 4.449 4.449     . 0 0 "[ ]" 1 
        833 1 38 VAL QG   1 47 GLU HA   2.930 . 4.160 2.844 2.844 2.844     . 0 0 "[ ]" 1 
        834 1 38 VAL QG   1 47 GLU QG   3.850 . 6.000 2.663 2.663 2.663     . 0 0 "[ ]" 1 
        835 1 38 VAL QG   1 48 ILE H    3.850 . 6.000 3.694 3.694 3.694     . 0 0 "[ ]" 1 
        836 1 39 LEU H    1 39 LEU HA   2.780 . 3.860 2.961 2.961 2.961     . 0 0 "[ ]" 1 
        837 1 39 LEU H    1 39 LEU QB   2.670 . 3.640 2.364 2.364 2.364     . 0 0 "[ ]" 1 
        838 1 39 LEU H    1 40 GLU H    3.750 . 5.800 4.512 4.512 4.512     . 0 0 "[ ]" 1 
        839 1 39 LEU H    1 45 GLU HA   3.160 . 4.620 4.628 4.628 4.628 0.008 1 0 "[ ]" 1 
        840 1 39 LEU H    1 46 THR H    2.750 . 3.800 3.012 3.012 3.012     . 0 0 "[ ]" 1 
        841 1 39 LEU H    1 46 THR HB   2.790 . 3.890 3.534 3.534 3.534     . 0 0 "[ ]" 1 
        842 1 39 LEU H    1 47 GLU HA   2.810 . 3.930 3.366 3.366 3.366     . 0 0 "[ ]" 1 
        843 1 39 LEU H    1 48 ILE MD   3.850 . 6.000 3.913 3.913 3.913     . 0 0 "[ ]" 1 
        844 1 39 LEU HA   1 39 LEU QD   3.650 . 5.600 2.050 2.050 2.050     . 0 0 "[ ]" 1 
        845 1 39 LEU HA   1 39 LEU HG   3.850 . 6.000 2.888 2.888 2.888     . 0 0 "[ ]" 1 
        846 1 39 LEU HA   1 40 GLU H    2.670 . 3.640 2.372 2.372 2.372     . 0 0 "[ ]" 1 
        847 1 39 LEU QB   1 40 GLU H    3.770 . 5.840 2.471 2.471 2.471     . 0 0 "[ ]" 1 
        848 1 39 LEU QB   1 46 THR H    3.230 . 4.760 3.319 3.319 3.319     . 0 0 "[ ]" 1 
        849 1 39 LEU QB   1 46 THR HB   3.270 . 4.840 2.301 2.301 2.301     . 0 0 "[ ]" 1 
        850 1 39 LEU QB   1 46 THR MG   3.850 . 6.000 3.654 3.654 3.654     . 0 0 "[ ]" 1 
        851 1 39 LEU QB   1 48 ILE MD   3.800 . 6.000 2.832 2.832 2.832     . 0 0 "[ ]" 1 
        852 1 39 LEU QD   1 41 ALA H    4.350 . 7.000 5.190 5.190 5.190     . 0 0 "[ ]" 1 
        853 1 39 LEU QD   1 48 ILE MD   3.800 . 6.000 1.840 1.840 1.840     . 0 0 "[ ]" 1 
        854 1 39 LEU QD   1 67 VAL MG2  3.800 . 6.000 1.807 1.807 1.807     . 0 0 "[ ]" 1 
        855 1 40 GLU H    1 40 GLU HA   2.580 . 3.470 2.949 2.949 2.949     . 0 0 "[ ]" 1 
        856 1 40 GLU H    1 40 GLU QB   3.330 . 4.960 2.564 2.564 2.564     . 0 0 "[ ]" 1 
        857 1 40 GLU H    1 40 GLU QG   3.830 . 5.960 3.531 3.531 3.531     . 0 0 "[ ]" 1 
        858 1 40 GLU H    1 41 ALA H    3.920 . 6.130 4.070 4.070 4.070     . 0 0 "[ ]" 1 
        859 1 40 GLU H    1 41 ALA HA   4.260 . 6.830 4.962 4.962 4.962     . 0 0 "[ ]" 1 
        860 1 40 GLU HA   1 40 GLU QG   2.980 . 4.250 2.046 2.046 2.046     . 0 0 "[ ]" 1 
        861 1 40 GLU HA   1 41 ALA H    2.270 . 2.840 2.145 2.145 2.145     . 0 0 "[ ]" 1 
        862 1 40 GLU HA   1 41 ALA MB   3.850 . 6.000 4.047 4.047 4.047     . 0 0 "[ ]" 1 
        863 1 40 GLU HA   1 44 MET H    3.390 . 5.080 4.106 4.106 4.106     . 0 0 "[ ]" 1 
        864 1 40 GLU HA   1 46 THR H    3.190 . 4.680 3.285 3.285 3.285     . 0 0 "[ ]" 1 
        865 1 40 GLU QB   1 41 ALA H    3.100 . 4.500 3.523 3.523 3.523     . 0 0 "[ ]" 1 
        866 1 40 GLU QG   1 41 ALA H    3.330 . 4.960 3.807 3.807 3.807     . 0 0 "[ ]" 1 
        867 1 40 GLU QG   1 46 THR H    3.290 . 4.870 3.862 3.862 3.862     . 0 0 "[ ]" 1 
        868 1 41 ALA H    1 41 ALA HA   2.760 . 3.820 2.923 2.923 2.923     . 0 0 "[ ]" 1 
        869 1 41 ALA H    1 41 ALA MB   3.250 . 4.800 2.717 2.717 2.717     . 0 0 "[ ]" 1 
        870 1 41 ALA H    1 42 MET H    4.230 . 6.760 4.273 4.273 4.273     . 0 0 "[ ]" 1 
        871 1 41 ALA H    1 42 MET QG   3.720 . 5.740 5.112 5.112 5.112     . 0 0 "[ ]" 1 
        872 1 41 ALA H    1 43 LYS H    3.830 . 5.960 4.123 4.123 4.123     . 0 0 "[ ]" 1 
        873 1 41 ALA H    1 44 MET H    2.880 . 4.060 2.835 2.835 2.835     . 0 0 "[ ]" 1 
        874 1 41 ALA H    1 44 MET HA   3.470 . 5.240 4.943 4.943 4.943     . 0 0 "[ ]" 1 
        875 1 41 ALA H    1 45 GLU HA   3.370 . 5.040 3.852 3.852 3.852     . 0 0 "[ ]" 1 
        876 1 41 ALA H    1 46 THR H    3.230 . 4.750 4.245 4.245 4.245     . 0 0 "[ ]" 1 
        877 1 41 ALA H    1 46 THR HB   3.660 . 5.620 5.198 5.198 5.198     . 0 0 "[ ]" 1 
        878 1 41 ALA HA   1 42 MET H    2.650 . 3.590 2.188 2.188 2.188     . 0 0 "[ ]" 1 
        879 1 41 ALA HA   1 43 LYS H    3.770 . 5.840 3.499 3.499 3.499     . 0 0 "[ ]" 1 
        880 1 41 ALA MB   1 42 MET H    3.870 . 6.040 2.941 2.941 2.941     . 0 0 "[ ]" 1 
        881 1 41 ALA MB   1 42 MET QG   3.850 . 6.000 2.776 2.776 2.776     . 0 0 "[ ]" 1 
        882 1 41 ALA MB   1 43 LYS H    3.850 . 6.000 4.503 4.503 4.503     . 0 0 "[ ]" 1 
        883 1 41 ALA MB   1 44 MET H    3.850 . 6.000 4.304 4.304 4.304     . 0 0 "[ ]" 1 
        884 1 42 MET H    1 42 MET HA   2.580 . 3.470 2.299 2.299 2.299     . 0 0 "[ ]" 1 
        885 1 42 MET H    1 42 MET QB   3.520 . 5.340 3.362 3.362 3.362     . 0 0 "[ ]" 1 
        886 1 42 MET H    1 42 MET QG   3.660 . 5.620 2.758 2.758 2.758     . 0 0 "[ ]" 1 
        887 1 42 MET H    1 43 LYS H    3.480 . 5.260 2.643 2.643 2.643     . 0 0 "[ ]" 1 
        888 1 42 MET H    1 43 LYS HA   4.330 . 6.960 4.932 4.932 4.932     . 0 0 "[ ]" 1 
        889 1 42 MET H    1 43 LYS QB   4.350 . 7.000 5.325 5.325 5.325     . 0 0 "[ ]" 1 
        890 1 42 MET H    1 43 LYS QG   4.350 . 7.000 4.470 4.470 4.470     . 0 0 "[ ]" 1 
        891 1 42 MET H    1 44 MET H    4.350 . 7.000 4.208 4.208 4.208     . 0 0 "[ ]" 1 
        892 1 42 MET HA   1 42 MET QG   3.290 . 4.880 2.304 2.304 2.304     . 0 0 "[ ]" 1 
        893 1 42 MET HA   1 43 LYS H    2.910 . 4.120 2.911 2.911 2.911     . 0 0 "[ ]" 1 
        894 1 42 MET HA   1 43 LYS QG   3.850 . 6.000 3.453 3.453 3.453     . 0 0 "[ ]" 1 
        895 1 42 MET HA   1 44 MET H    3.550 . 5.400 4.564 4.564 4.564     . 0 0 "[ ]" 1 
        896 1 42 MET QB   1 43 LYS H    3.580 . 5.460 3.802 3.802 3.802     . 0 0 "[ ]" 1 
        897 1 42 MET QG   1 43 LYS H    4.160 . 6.620 4.422 4.422 4.422     . 0 0 "[ ]" 1 
        898 1 43 LYS H    1 43 LYS HA   2.580 . 3.470 2.300 2.300 2.300     . 0 0 "[ ]" 1 
        899 1 43 LYS H    1 43 LYS QB   3.320 . 4.940 3.351 3.351 3.351     . 0 0 "[ ]" 1 
        900 1 43 LYS H    1 43 LYS QD   4.250 . 6.790 4.700 4.700 4.700     . 0 0 "[ ]" 1 
        901 1 43 LYS H    1 43 LYS QE   4.350 . 7.000 4.804 4.804 4.804     . 0 0 "[ ]" 1 
        902 1 43 LYS H    1 43 LYS QG   3.580 . 5.460 2.752 2.752 2.752     . 0 0 "[ ]" 1 
        903 1 43 LYS H    1 44 MET H    3.040 . 4.370 2.649 2.649 2.649     . 0 0 "[ ]" 1 
        904 1 43 LYS HA   1 43 LYS QD   3.330 . 4.960 3.870 3.870 3.870     . 0 0 "[ ]" 1 
        905 1 43 LYS HA   1 43 LYS QG   3.230 . 4.760 2.318 2.318 2.318     . 0 0 "[ ]" 1 
        906 1 43 LYS HA   1 43 LYS QZ   4.350 . 7.000 5.608 5.608 5.608     . 0 0 "[ ]" 1 
        907 1 43 LYS HA   1 44 MET H    3.020 . 4.330 2.898 2.898 2.898     . 0 0 "[ ]" 1 
        908 1 43 LYS QB   1 43 LYS QZ   4.330 . 6.950 3.963 3.963 3.963     . 0 0 "[ ]" 1 
        909 1 43 LYS QB   1 44 MET H    3.200 . 4.700 3.810 3.810 3.810     . 0 0 "[ ]" 1 
        910 1 43 LYS QG   1 43 LYS QZ   3.910 . 6.120 3.322 3.322 3.322     . 0 0 "[ ]" 1 
        911 1 43 LYS QG   1 44 MET H    4.350 . 7.000 4.436 4.436 4.436     . 0 0 "[ ]" 1 
        912 1 44 MET H    1 44 MET HA   2.750 . 3.810 2.948 2.948 2.948     . 0 0 "[ ]" 1 
        913 1 44 MET H    1 44 MET QG   3.250 . 4.800 4.146 4.146 4.146     . 0 0 "[ ]" 1 
        914 1 44 MET H    1 45 GLU H    3.830 . 5.950 4.175 4.175 4.175     . 0 0 "[ ]" 1 
        915 1 44 MET HA   1 45 GLU H    2.900 . 4.090 2.138 2.138 2.138     . 0 0 "[ ]" 1 
        916 1 44 MET QB   1 45 GLU H    3.660 . 5.620 3.733 3.733 3.733     . 0 0 "[ ]" 1 
        917 1 44 MET QG   1 45 GLU H    4.100 . 6.500 2.829 2.829 2.829     . 0 0 "[ ]" 1 
        918 1 45 GLU H    1 45 GLU HB3  3.980 . 6.250 3.560 3.560 3.560     . 0 0 "[ ]" 1 
        919 1 45 GLU H    1 45 GLU QG   3.860 . 6.020 2.618 2.618 2.618     . 0 0 "[ ]" 1 
        920 1 45 GLU H    1 46 THR H    3.780 . 5.860 4.522 4.522 4.522     . 0 0 "[ ]" 1 
        921 1 45 GLU HA   1 45 GLU HB2  2.750 . 3.800 3.010 3.010 3.010     . 0 0 "[ ]" 1 
        922 1 45 GLU HA   1 45 GLU HB3  2.740 . 3.780 2.590 2.590 2.590     . 0 0 "[ ]" 1 
        923 1 45 GLU HA   1 45 GLU QG   3.140 . 4.580 2.274 2.274 2.274     . 0 0 "[ ]" 1 
        924 1 45 GLU HA   1 46 THR H    2.310 . 2.910 2.143 2.143 2.143     . 0 0 "[ ]" 1 
        925 1 45 GLU HA   1 46 THR HB   3.850 . 6.000 4.856 4.856 4.856     . 0 0 "[ ]" 1 
        926 1 45 GLU HB3  1 45 GLU QG   2.520 . 3.350 2.329 2.329 2.329     . 0 0 "[ ]" 1 
        927 1 45 GLU HB3  1 46 THR H    3.320 . 4.940 3.371 3.371 3.371     . 0 0 "[ ]" 1 
        928 1 45 GLU QG   1 46 THR H    3.060 . 4.420 3.838 3.838 3.838     . 0 0 "[ ]" 1 
        929 1 46 THR H    1 46 THR HA   2.770 . 3.830 2.962 2.962 2.962     . 0 0 "[ ]" 1 
        930 1 46 THR H    1 46 THR HB   2.370 . 3.040 2.835 2.835 2.835     . 0 0 "[ ]" 1 
        931 1 46 THR H    1 46 THR MG   3.540 . 5.370 3.898 3.898 3.898     . 0 0 "[ ]" 1 
        932 1 46 THR H    1 47 GLU H    3.370 . 5.040 4.351 4.351 4.351     . 0 0 "[ ]" 1 
        933 1 46 THR HA   1 46 THR HB   2.690 . 3.670 3.007 3.007 3.007     . 0 0 "[ ]" 1 
        934 1 46 THR HA   1 46 THR MG   2.750 . 3.810 2.262 2.262 2.262     . 0 0 "[ ]" 1 
        935 1 46 THR HA   1 47 GLU H    2.150 . 2.600 2.146 2.146 2.146     . 0 0 "[ ]" 1 
        936 1 46 THR HB   1 47 GLU H    3.100 . 4.500 4.013 4.013 4.013     . 0 0 "[ ]" 1 
        937 1 46 THR HB   1 48 ILE MD   3.850 . 6.000 3.263 3.263 3.263     . 0 0 "[ ]" 1 
        938 1 46 THR MG   1 47 GLU H    3.550 . 5.400 2.527 2.527 2.527     . 0 0 "[ ]" 1 
        939 1 47 GLU H    1 47 GLU HA   2.770 . 3.830 2.910 2.910 2.910     . 0 0 "[ ]" 1 
        940 1 47 GLU H    1 47 GLU QB   2.630 . 3.570 2.443 2.443 2.443     . 0 0 "[ ]" 1 
        941 1 47 GLU H    1 47 GLU QG   2.770 . 3.830 2.305 2.305 2.305     . 0 0 "[ ]" 1 
        942 1 47 GLU H    1 48 ILE H    3.250 . 4.800 4.576 4.576 4.576     . 0 0 "[ ]" 1 
        943 1 47 GLU HA   1 48 ILE H    2.380 . 3.060 2.201 2.201 2.201     . 0 0 "[ ]" 1 
        944 1 47 GLU QB   1 48 ILE H    3.220 . 4.740 2.910 2.910 2.910     . 0 0 "[ ]" 1 
        945 1 47 GLU QG   1 48 ILE H    3.580 . 5.460 4.013 4.013 4.013     . 0 0 "[ ]" 1 
        946 1 48 ILE H    1 48 ILE HA   2.580 . 3.470 2.957 2.957 2.957     . 0 0 "[ ]" 1 
        947 1 48 ILE H    1 48 ILE MD   4.060 . 6.430 3.447 3.447 3.447     . 0 0 "[ ]" 1 
        948 1 48 ILE H    1 48 ILE QG   3.140 . 4.580 2.460 2.460 2.460     . 0 0 "[ ]" 1 
        949 1 48 ILE H    1 48 ILE MG   3.890 . 6.080 3.850 3.850 3.850     . 0 0 "[ ]" 1 
        950 1 48 ILE HA   1 48 ILE HB   2.760 . 3.820 3.027 3.027 3.027     . 0 0 "[ ]" 1 
        951 1 48 ILE HA   1 48 ILE MD   2.770 . 3.850 2.059 2.059 2.059     . 0 0 "[ ]" 1 
        952 1 48 ILE HA   1 48 ILE QG   2.630 . 3.570 3.010 3.010 3.010     . 0 0 "[ ]" 1 
        953 1 48 ILE HA   1 48 ILE MG   2.620 . 3.540 2.305 2.305 2.305     . 0 0 "[ ]" 1 
        954 1 48 ILE HA   1 49 ASN H    2.110 . 2.520 2.138 2.138 2.138     . 0 0 "[ ]" 1 
        955 1 48 ILE HB   1 48 ILE MD   3.270 . 4.830 3.206 3.206 3.206     . 0 0 "[ ]" 1 
        956 1 48 ILE HB   1 48 ILE QG   2.650 . 3.590 2.202 2.202 2.202     . 0 0 "[ ]" 1 
        957 1 48 ILE HB   1 48 ILE MG   2.490 . 3.280 2.149 2.149 2.149     . 0 0 "[ ]" 1 
        958 1 48 ILE MD   1 49 ASN H    3.850 . 6.000 3.670 3.670 3.670     . 0 0 "[ ]" 1 
        959 1 48 ILE QG   1 48 ILE MG   2.690 . 3.690 2.307 2.307 2.307     . 0 0 "[ ]" 1 
        960 1 48 ILE QG   1 73 LEU QD   3.850 . 6.000 2.604 2.604 2.604     . 0 0 "[ ]" 1 
        961 1 48 ILE MG   1 49 ASN H    3.850 . 6.000 2.889 2.889 2.889     . 0 0 "[ ]" 1 
        962 1 48 ILE MG   1 73 LEU QD   3.800 . 6.000 1.969 1.969 1.969     . 0 0 "[ ]" 1 
        963 1 49 ASN H    1 49 ASN HA   2.760 . 3.820 2.950 2.950 2.950     . 0 0 "[ ]" 1 
        964 1 49 ASN H    1 49 ASN QB   2.620 . 3.540 2.452 2.452 2.452     . 0 0 "[ ]" 1 
        965 1 49 ASN H    1 50 ALA H    3.410 . 5.120 4.514 4.514 4.514     . 0 0 "[ ]" 1 
        966 1 49 ASN HA   1 49 ASN QB   2.630 . 3.560 2.378 2.378 2.378     . 0 0 "[ ]" 1 
        967 1 49 ASN HA   1 49 ASN HD21 3.620 . 5.540 4.430 4.430 4.430     . 0 0 "[ ]" 1 
        968 1 49 ASN HA   1 49 ASN HD22 4.350 . 7.000 4.583 4.583 4.583     . 0 0 "[ ]" 1 
        969 1 49 ASN HA   1 50 ALA H    2.350 . 3.000 2.195 2.195 2.195     . 0 0 "[ ]" 1 
        970 1 49 ASN HA   1 50 ALA MB   3.850 . 6.000 4.024 4.024 4.024     . 0 0 "[ ]" 1 
        971 1 49 ASN QB   1 49 ASN HD21 2.980 . 4.250 2.239 2.239 2.239     . 0 0 "[ ]" 1 
        972 1 49 ASN QB   1 49 ASN HD22 3.110 . 4.520 3.274 3.274 3.274     . 0 0 "[ ]" 1 
        973 1 49 ASN QB   1 50 ALA H    3.080 . 4.460 2.940 2.940 2.940     . 0 0 "[ ]" 1 
        974 1 50 ALA H    1 50 ALA HA   2.760 . 3.820 2.818 2.818 2.818     . 0 0 "[ ]" 1 
        975 1 50 ALA H    1 50 ALA MB   2.970 . 4.240 2.146 2.146 2.146     . 0 0 "[ ]" 1 
        976 1 50 ALA H    1 51 PRO HD2  3.500 . 5.300 4.950 4.950 4.950     . 0 0 "[ ]" 1 
        977 1 50 ALA H    1 51 PRO HD3  3.550 . 5.400 4.945 4.945 4.945     . 0 0 "[ ]" 1 
        978 1 50 ALA HA   1 51 PRO HD2  2.210 . 2.710 2.418 2.418 2.418     . 0 0 "[ ]" 1 
        979 1 50 ALA HA   1 51 PRO HD3  2.190 . 2.670 2.251 2.251 2.251     . 0 0 "[ ]" 1 
        980 1 50 ALA HA   1 51 PRO HG2  3.850 . 6.000 4.519 4.519 4.519     . 0 0 "[ ]" 1 
        981 1 50 ALA HA   1 51 PRO HG3  3.850 . 6.000 4.429 4.429 4.429     . 0 0 "[ ]" 1 
        982 1 50 ALA HA   1 52 THR H    3.560 . 5.420 4.174 4.174 4.174     . 0 0 "[ ]" 1 
        983 1 50 ALA HA   1 76 ILE MD   3.850 . 6.000 4.352 4.352 4.352     . 0 0 "[ ]" 1 
        984 1 50 ALA MB   1 51 PRO HD2  3.850 . 6.000 2.515 2.515 2.515     . 0 0 "[ ]" 1 
        985 1 50 ALA MB   1 51 PRO HD3  3.850 . 6.000 3.481 3.481 3.481     . 0 0 "[ ]" 1 
        986 1 50 ALA MB   1 52 THR H    3.720 . 5.740 2.797 2.797 2.797     . 0 0 "[ ]" 1 
        987 1 50 ALA MB   1 53 ASP H    4.350 . 7.000 5.108 5.108 5.108     . 0 0 "[ ]" 1 
        988 1 50 ALA MB   1 54 GLY H    4.350 . 7.000 4.763 4.763 4.763     . 0 0 "[ ]" 1 
        989 1 50 ALA MB   1 76 ILE MD   3.850 . 6.000 3.184 3.184 3.184     . 0 0 "[ ]" 1 
        990 1 50 ALA MB   1 76 ILE MG   3.800 . 6.000 3.789 3.789 3.789     . 0 0 "[ ]" 1 
        991 1 51 PRO HA   1 51 PRO HB2  2.530 . 3.360 2.731 2.731 2.731     . 0 0 "[ ]" 1 
        992 1 51 PRO HA   1 51 PRO HB3  2.520 . 3.340 2.300 2.300 2.300     . 0 0 "[ ]" 1 
        993 1 51 PRO HA   1 51 PRO HG2  3.070 . 4.440 3.885 3.885 3.885     . 0 0 "[ ]" 1 
        994 1 51 PRO HA   1 52 THR H    3.460 . 5.220 3.540 3.540 3.540     . 0 0 "[ ]" 1 
        995 1 51 PRO HB2  1 52 THR H    3.850 . 6.000 3.207 3.207 3.207     . 0 0 "[ ]" 1 
        996 1 51 PRO HB2  1 52 THR MG   3.310 . 4.910 2.819 2.819 2.819     . 0 0 "[ ]" 1 
        997 1 51 PRO HB3  1 51 PRO HD2  3.850 . 6.000 3.893 3.893 3.893     . 0 0 "[ ]" 1 
        998 1 51 PRO HB3  1 52 THR H    3.450 . 5.200 4.069 4.069 4.069     . 0 0 "[ ]" 1 
        999 1 51 PRO HB3  1 52 THR MG   3.850 . 6.000 4.361 4.361 4.361     . 0 0 "[ ]" 1 
       1000 1 51 PRO HD2  1 51 PRO HG2  2.520 . 3.350 2.281 2.281 2.281     . 0 0 "[ ]" 1 
       1001 1 51 PRO HD2  1 51 PRO HG3  2.810 . 3.930 2.733 2.733 2.733     . 0 0 "[ ]" 1 
       1002 1 51 PRO HD2  1 52 THR H    2.780 . 3.860 2.498 2.498 2.498     . 0 0 "[ ]" 1 
       1003 1 51 PRO HD2  1 76 ILE MD   3.850 . 6.000 3.840 3.840 3.840     . 0 0 "[ ]" 1 
       1004 1 51 PRO HD3  1 51 PRO HG3  2.750 . 3.810 2.277 2.277 2.277     . 0 0 "[ ]" 1 
       1005 1 51 PRO HD3  1 52 THR H    3.520 . 5.340 3.757 3.757 3.757     . 0 0 "[ ]" 1 
       1006 1 51 PRO HG2  1 52 THR H    3.120 . 4.540 2.314 2.314 2.314     . 0 0 "[ ]" 1 
       1007 1 51 PRO HG3  1 52 THR H    3.850 . 6.000 3.799 3.799 3.799     . 0 0 "[ ]" 1 
       1008 1 52 THR H    1 52 THR HA   2.580 . 3.470 2.929 2.929 2.929     . 0 0 "[ ]" 1 
       1009 1 52 THR H    1 52 THR HB   3.230 . 4.760 3.828 3.828 3.828     . 0 0 "[ ]" 1 
       1010 1 52 THR H    1 52 THR MG   3.520 . 5.330 3.321 3.321 3.321     . 0 0 "[ ]" 1 
       1011 1 52 THR H    1 53 ASP H    3.490 . 5.280 4.406 4.406 4.406     . 0 0 "[ ]" 1 
       1012 1 52 THR H    1 76 ILE MD   3.980 . 6.250 5.090 5.090 5.090     . 0 0 "[ ]" 1 
       1013 1 52 THR H    1 76 ILE QG   4.040 . 6.370 4.006 4.006 4.006     . 0 0 "[ ]" 1 
       1014 1 52 THR HA   1 52 THR HB   2.440 . 3.180 2.572 2.572 2.572     . 0 0 "[ ]" 1 
       1015 1 52 THR HA   1 52 THR MG   2.930 . 4.160 2.147 2.147 2.147     . 0 0 "[ ]" 1 
       1016 1 52 THR HA   1 53 ASP H    2.490 . 3.280 2.401 2.401 2.401     . 0 0 "[ ]" 1 
       1017 1 52 THR HB   1 53 ASP H    2.460 . 3.230 2.415 2.415 2.415     . 0 0 "[ ]" 1 
       1018 1 52 THR MG   1 53 ASP H    3.650 . 5.600 3.443 3.443 3.443     . 0 0 "[ ]" 1 
       1019 1 53 ASP H    1 53 ASP HA   2.750 . 3.810 2.844 2.844 2.844     . 0 0 "[ ]" 1 
       1020 1 53 ASP H    1 53 ASP HB2  2.750 . 3.790 3.601 3.601 3.601     . 0 0 "[ ]" 1 
       1021 1 53 ASP H    1 53 ASP HB3  2.450 . 3.200 2.692 2.692 2.692     . 0 0 "[ ]" 1 
       1022 1 53 ASP HA   1 53 ASP HB2  2.440 . 3.190 2.507 2.507 2.507     . 0 0 "[ ]" 1 
       1023 1 53 ASP HA   1 53 ASP HB3  2.490 . 3.280 2.414 2.414 2.414     . 0 0 "[ ]" 1 
       1024 1 53 ASP HA   1 54 GLY H    2.180 . 2.660 2.208 2.208 2.208     . 0 0 "[ ]" 1 
       1025 1 53 ASP HB2  1 54 GLY H    2.660 . 3.620 2.946 2.946 2.946     . 0 0 "[ ]" 1 
       1026 1 53 ASP HB3  1 54 GLY H    2.830 . 3.970 3.978 3.978 3.978 0.008 1 0 "[ ]" 1 
       1027 1 54 GLY H    1 54 GLY QA   2.460 . 3.220 2.507 2.507 2.507     . 0 0 "[ ]" 1 
       1028 1 54 GLY H    1 55 LYS H    3.230 . 4.750 4.331 4.331 4.331     . 0 0 "[ ]" 1 
       1029 1 54 GLY H    1 55 LYS HA   3.450 . 5.200 4.602 4.602 4.602     . 0 0 "[ ]" 1 
       1030 1 54 GLY H    1 76 ILE MG   3.850 . 6.000 3.542 3.542 3.542     . 0 0 "[ ]" 1 
       1031 1 54 GLY QA   1 55 LYS H    2.660 . 3.620 2.240 2.240 2.240     . 0 0 "[ ]" 1 
       1032 1 54 GLY QA   1 76 ILE MD   3.620 . 5.540 3.978 3.978 3.978     . 0 0 "[ ]" 1 
       1033 1 54 GLY QA   1 76 ILE MG   3.080 . 4.460 1.876 1.876 1.876     . 0 0 "[ ]" 1 
       1034 1 54 GLY QA   1 77 GLY H    3.370 . 5.040 3.254 3.254 3.254     . 0 0 "[ ]" 1 
       1035 1 55 LYS H    1 55 LYS HA   2.760 . 3.820 2.952 2.952 2.952     . 0 0 "[ ]" 1 
       1036 1 55 LYS H    1 55 LYS QB   2.730 . 3.750 2.634 2.634 2.634     . 0 0 "[ ]" 1 
       1037 1 55 LYS H    1 56 VAL H    3.240 . 4.780 4.403 4.403 4.403     . 0 0 "[ ]" 1 
       1038 1 55 LYS H    1 76 ILE HA   3.120 . 4.540 3.704 3.704 3.704     . 0 0 "[ ]" 1 
       1039 1 55 LYS H    1 76 ILE HB   3.600 . 5.500 5.034 5.034 5.034     . 0 0 "[ ]" 1 
       1040 1 55 LYS H    1 76 ILE MD   3.850 . 6.000 4.090 4.090 4.090     . 0 0 "[ ]" 1 
       1041 1 55 LYS H    1 76 ILE MG   3.000 . 4.300 2.463 2.463 2.463     . 0 0 "[ ]" 1 
       1042 1 55 LYS H    1 77 GLY H    2.750 . 3.800 1.998 1.998 1.998     . 0 0 "[ ]" 1 
       1043 1 55 LYS H    1 77 GLY QA   3.460 . 5.220 3.540 3.540 3.540     . 0 0 "[ ]" 1 
       1044 1 55 LYS HA   1 55 LYS QE   3.850 . 6.000 4.029 4.029 4.029     . 0 0 "[ ]" 1 
       1045 1 55 LYS HA   1 55 LYS QG   2.870 . 4.040 2.351 2.351 2.351     . 0 0 "[ ]" 1 
       1046 1 55 LYS HA   1 56 VAL H    2.190 . 2.680 2.238 2.238 2.238     . 0 0 "[ ]" 1 
       1047 1 55 LYS HA   1 56 VAL MG2  3.850 . 6.000 3.563 3.563 3.563     . 0 0 "[ ]" 1 
       1048 1 55 LYS HA   1 77 GLY H    3.580 . 5.460 4.292 4.292 4.292     . 0 0 "[ ]" 1 
       1049 1 55 LYS QB   1 56 VAL H    3.850 . 6.000 3.500 3.500 3.500     . 0 0 "[ ]" 1 
       1050 1 55 LYS QB   1 77 GLY H    3.570 . 5.440 3.624 3.624 3.624     . 0 0 "[ ]" 1 
       1051 1 55 LYS QD   1 56 VAL H    3.850 . 6.000 3.996 3.996 3.996     . 0 0 "[ ]" 1 
       1052 1 55 LYS QE   1 55 LYS QG   3.270 . 4.840 2.308 2.308 2.308     . 0 0 "[ ]" 1 
       1053 1 55 LYS QG   1 56 VAL H    2.630 . 3.570 2.057 2.057 2.057     . 0 0 "[ ]" 1 
       1054 1 55 LYS QG   1 77 GLY H    3.620 . 5.540 4.942 4.942 4.942     . 0 0 "[ ]" 1 
       1055 1 56 VAL H    1 56 VAL HA   2.760 . 3.820 2.876 2.876 2.876     . 0 0 "[ ]" 1 
       1056 1 56 VAL H    1 56 VAL HB   2.390 . 3.080 2.583 2.583 2.583     . 0 0 "[ ]" 1 
       1057 1 56 VAL H    1 56 VAL MG1  3.400 . 5.100 3.767 3.767 3.767     . 0 0 "[ ]" 1 
       1058 1 56 VAL H    1 56 VAL MG2  2.980 . 4.250 2.225 2.225 2.225     . 0 0 "[ ]" 1 
       1059 1 56 VAL H    1 74 ILE MG   3.890 . 6.080 5.061 5.061 5.061     . 0 0 "[ ]" 1 
       1060 1 56 VAL H    1 76 ILE MD   3.600 . 5.500 4.138 4.138 4.138     . 0 0 "[ ]" 1 
       1061 1 56 VAL HA   1 56 VAL MG1  2.660 . 3.620 2.248 2.248 2.248     . 0 0 "[ ]" 1 
       1062 1 56 VAL HA   1 56 VAL MG2  2.670 . 3.650 2.336 2.336 2.336     . 0 0 "[ ]" 1 
       1063 1 56 VAL HA   1 57 GLU H    2.230 . 2.760 2.149 2.149 2.149     . 0 0 "[ ]" 1 
       1064 1 56 VAL HA   1 58 LYS H    2.920 . 4.130 3.581 3.581 3.581     . 0 0 "[ ]" 1 
       1065 1 56 VAL HA   1 74 ILE MG   3.850 . 6.000 3.117 3.117 3.117     . 0 0 "[ ]" 1 
       1066 1 56 VAL HA   1 76 ILE HA   2.790 . 3.890 3.026 3.026 3.026     . 0 0 "[ ]" 1 
       1067 1 56 VAL HA   1 76 ILE MD   3.850 . 6.000 2.822 2.822 2.822     . 0 0 "[ ]" 1 
       1068 1 56 VAL HA   1 76 ILE MG   3.850 . 6.000 4.180 4.180 4.180     . 0 0 "[ ]" 1 
       1069 1 56 VAL HA   1 77 GLY H    3.020 . 4.340 4.164 4.164 4.164     . 0 0 "[ ]" 1 
       1070 1 56 VAL HB   1 74 ILE MG   3.850 . 6.000 4.177 4.177 4.177     . 0 0 "[ ]" 1 
       1071 1 56 VAL HB   1 76 ILE MD   3.850 . 6.000 4.902 4.902 4.902     . 0 0 "[ ]" 1 
       1072 1 56 VAL MG1  1 56 VAL MG2  2.540 . 3.380 2.001 2.001 2.001     . 0 0 "[ ]" 1 
       1073 1 56 VAL MG1  1 57 GLU H    3.640 . 5.580 3.030 3.030 3.030     . 0 0 "[ ]" 1 
       1074 1 56 VAL MG1  1 57 GLU HA   3.850 . 6.000 4.126 4.126 4.126     . 0 0 "[ ]" 1 
       1075 1 56 VAL MG1  1 58 LYS H    3.660 . 5.620 2.782 2.782 2.782     . 0 0 "[ ]" 1 
       1076 1 56 VAL MG1  1 59 VAL H    4.100 . 6.500 3.685 3.685 3.685     . 0 0 "[ ]" 1 
       1077 1 56 VAL MG1  1 74 ILE HA   3.850 . 6.000 4.364 4.364 4.364     . 0 0 "[ ]" 1 
       1078 1 56 VAL MG1  1 74 ILE MD   3.800 . 6.000 3.236 3.236 3.236     . 0 0 "[ ]" 1 
       1079 1 56 VAL MG1  1 74 ILE QG   3.850 . 6.000 3.962 3.962 3.962     . 0 0 "[ ]" 1 
       1080 1 56 VAL MG1  1 74 ILE MG   3.800 . 6.000 1.883 1.883 1.883     . 0 0 "[ ]" 1 
       1081 1 56 VAL MG1  1 77 GLY H    4.350 . 7.000 5.774 5.774 5.774     . 0 0 "[ ]" 1 
       1082 1 56 VAL MG2  1 57 GLU H    4.100 . 6.500 4.178 4.178 4.178     . 0 0 "[ ]" 1 
       1083 1 56 VAL MG2  1 58 LYS H    4.040 . 6.380 4.938 4.938 4.938     . 0 0 "[ ]" 1 
       1084 1 56 VAL MG2  1 74 ILE MD   3.800 . 6.000 3.098 3.098 3.098     . 0 0 "[ ]" 1 
       1085 1 56 VAL MG2  1 74 ILE MG   3.800 . 6.000 2.620 2.620 2.620     . 0 0 "[ ]" 1 
       1086 1 56 VAL MG2  1 76 ILE HA   3.850 . 6.000 4.077 4.077 4.077     . 0 0 "[ ]" 1 
       1087 1 56 VAL MG2  1 76 ILE MD   3.800 . 6.000 2.636 2.636 2.636     . 0 0 "[ ]" 1 
       1088 1 56 VAL MG2  1 77 GLY H    4.350 . 7.000 5.118 5.118 5.118     . 0 0 "[ ]" 1 
       1089 1 57 GLU H    1 57 GLU HA   2.770 . 3.840 2.932 2.932 2.932     . 0 0 "[ ]" 1 
       1090 1 57 GLU H    1 57 GLU HB2  2.740 . 3.780 3.653 3.653 3.653     . 0 0 "[ ]" 1 
       1091 1 57 GLU H    1 57 GLU HB3  2.670 . 3.640 2.897 2.897 2.897     . 0 0 "[ ]" 1 
       1092 1 57 GLU H    1 57 GLU QG   3.020 . 4.340 1.942 1.942 1.942     . 0 0 "[ ]" 1 
       1093 1 57 GLU H    1 58 LYS H    2.500 . 3.310 2.198 2.198 2.198     . 0 0 "[ ]" 1 
       1094 1 57 GLU H    1 74 ILE MG   4.350 . 7.000 3.927 3.927 3.927     . 0 0 "[ ]" 1 
       1095 1 57 GLU H    1 75 LYS H    4.350 . 7.000 4.459 4.459 4.459     . 0 0 "[ ]" 1 
       1096 1 57 GLU H    1 76 ILE HA   2.670 . 3.650 3.450 3.450 3.450     . 0 0 "[ ]" 1 
       1097 1 57 GLU H    1 76 ILE MD   4.350 . 7.000 4.038 4.038 4.038     . 0 0 "[ ]" 1 
       1098 1 57 GLU HA   1 57 GLU HB2  2.710 . 3.710 2.497 2.497 2.497     . 0 0 "[ ]" 1 
       1099 1 57 GLU HA   1 57 GLU HB3  2.790 . 3.880 2.421 2.421 2.421     . 0 0 "[ ]" 1 
       1100 1 57 GLU HA   1 57 GLU QG   2.830 . 3.950 3.302 3.302 3.302     . 0 0 "[ ]" 1 
       1101 1 57 GLU HA   1 58 LYS H    3.040 . 4.380 3.497 3.497 3.497     . 0 0 "[ ]" 1 
       1102 1 57 GLU HB2  1 57 GLU QG   2.530 . 3.360 2.431 2.431 2.431     . 0 0 "[ ]" 1 
       1103 1 57 GLU HB2  1 58 LYS H    3.040 . 4.380 3.846 3.846 3.846     . 0 0 "[ ]" 1 
       1104 1 57 GLU HB3  1 58 LYS H    3.230 . 4.750 4.095 4.095 4.095     . 0 0 "[ ]" 1 
       1105 1 57 GLU HB3  1 77 GLY H    3.290 . 4.870 4.540 4.540 4.540     . 0 0 "[ ]" 1 
       1106 1 57 GLU QG   1 58 LYS H    3.430 . 5.160 2.102 2.102 2.102     . 0 0 "[ ]" 1 
       1107 1 57 GLU QG   1 77 GLY H    3.120 . 4.540 3.998 3.998 3.998     . 0 0 "[ ]" 1 
       1108 1 58 LYS H    1 58 LYS HA   2.580 . 3.470 2.884 2.884 2.884     . 0 0 "[ ]" 1 
       1109 1 58 LYS H    1 58 LYS QB   2.950 . 4.200 2.869 2.869 2.869     . 0 0 "[ ]" 1 
       1110 1 58 LYS H    1 59 VAL H    3.320 . 4.940 4.078 4.078 4.078     . 0 0 "[ ]" 1 
       1111 1 58 LYS H    1 59 VAL HA   3.790 . 5.870 4.511 4.511 4.511     . 0 0 "[ ]" 1 
       1112 1 58 LYS H    1 74 ILE MG   4.110 . 6.520 3.555 3.555 3.555     . 0 0 "[ ]" 1 
       1113 1 58 LYS H    1 75 LYS H    2.810 . 3.910 3.505 3.505 3.505     . 0 0 "[ ]" 1 
       1114 1 58 LYS H    1 75 LYS QB   2.630 . 3.560 2.754 2.754 2.754     . 0 0 "[ ]" 1 
       1115 1 58 LYS H    1 76 ILE HA   3.420 . 5.140 5.146 5.146 5.146 0.006 1 0 "[ ]" 1 
       1116 1 58 LYS H    1 76 ILE MD   3.980 . 6.250 5.083 5.083 5.083     . 0 0 "[ ]" 1 
       1117 1 58 LYS HA   1 58 LYS QD   3.330 . 4.960 3.829 3.829 3.829     . 0 0 "[ ]" 1 
       1118 1 58 LYS HA   1 58 LYS QG   3.310 . 4.920 2.182 2.182 2.182     . 0 0 "[ ]" 1 
       1119 1 58 LYS HA   1 59 VAL H    2.260 . 2.820 2.147 2.147 2.147     . 0 0 "[ ]" 1 
       1120 1 58 LYS QB   1 59 VAL H    3.350 . 5.000 3.709 3.709 3.709     . 0 0 "[ ]" 1 
       1121 1 58 LYS QB   1 60 LEU QD   3.850 . 6.000 3.464 3.464 3.464     . 0 0 "[ ]" 1 
       1122 1 58 LYS QB   1 75 LYS H    3.850 . 6.000 4.074 4.074 4.074     . 0 0 "[ ]" 1 
       1123 1 58 LYS QB   1 75 LYS QB   3.270 . 4.840 2.826 2.826 2.826     . 0 0 "[ ]" 1 
       1124 1 58 LYS QB   1 75 LYS QG   3.850 . 6.000 4.500 4.500 4.500     . 0 0 "[ ]" 1 
       1125 1 58 LYS QD   1 59 VAL H    3.850 . 6.000 4.829 4.829 4.829     . 0 0 "[ ]" 1 
       1126 1 58 LYS QE   1 60 LEU QD   3.850 . 6.000 2.623 2.623 2.623     . 0 0 "[ ]" 1 
       1127 1 58 LYS QG   1 59 VAL H    3.850 . 6.000 2.756 2.756 2.756     . 0 0 "[ ]" 1 
       1128 1 59 VAL H    1 59 VAL HA   2.770 . 3.840 2.950 2.950 2.950     . 0 0 "[ ]" 1 
       1129 1 59 VAL H    1 59 VAL HB   2.440 . 3.180 2.618 2.618 2.618     . 0 0 "[ ]" 1 
       1130 1 59 VAL H    1 59 VAL QG   3.350 . 5.000 2.438 2.438 2.438     . 0 0 "[ ]" 1 
       1131 1 59 VAL H    1 60 LEU H    3.480 . 5.250 4.266 4.266 4.266     . 0 0 "[ ]" 1 
       1132 1 59 VAL H    1 60 LEU QD   4.350 . 7.000 4.945 4.945 4.945     . 0 0 "[ ]" 1 
       1133 1 59 VAL H    1 74 ILE MG   4.350 . 7.000 4.222 4.222 4.222     . 0 0 "[ ]" 1 
       1134 1 59 VAL HA   1 59 VAL QG   2.840 . 3.980 2.090 2.090 2.090     . 0 0 "[ ]" 1 
       1135 1 59 VAL HA   1 60 LEU H    2.310 . 2.920 2.148 2.148 2.148     . 0 0 "[ ]" 1 
       1136 1 59 VAL HA   1 60 LEU HG   3.850 . 6.000 3.676 3.676 3.676     . 0 0 "[ ]" 1 
       1137 1 59 VAL HA   1 61 VAL H    2.990 . 4.280 3.581 3.581 3.581     . 0 0 "[ ]" 1 
       1138 1 59 VAL HA   1 74 ILE H    4.350 . 7.000 5.704 5.704 5.704     . 0 0 "[ ]" 1 
       1139 1 59 VAL HA   1 74 ILE HA   2.700 . 3.700 2.849 2.849 2.849     . 0 0 "[ ]" 1 
       1140 1 59 VAL HA   1 74 ILE HB   3.380 . 5.050 4.922 4.922 4.922     . 0 0 "[ ]" 1 
       1141 1 59 VAL HA   1 74 ILE MD   3.850 . 6.000 4.232 4.232 4.232     . 0 0 "[ ]" 1 
       1142 1 59 VAL HA   1 74 ILE QG   3.370 . 5.040 3.027 3.027 3.027     . 0 0 "[ ]" 1 
       1143 1 59 VAL HA   1 74 ILE MG   3.850 . 6.000 2.267 2.267 2.267     . 0 0 "[ ]" 1 
       1144 1 59 VAL HA   1 75 LYS H    2.870 . 4.040 3.376 3.376 3.376     . 0 0 "[ ]" 1 
       1145 1 59 VAL HB   1 60 LEU H    3.350 . 5.000 4.315 4.315 4.315     . 0 0 "[ ]" 1 
       1146 1 59 VAL QG   1 60 LEU H    3.850 . 6.000 2.837 2.837 2.837     . 0 0 "[ ]" 1 
       1147 1 59 VAL QG   1 60 LEU HA   3.850 . 6.000 4.087 4.087 4.087     . 0 0 "[ ]" 1 
       1148 1 59 VAL QG   1 61 VAL H    2.590 . 3.480 2.272 2.272 2.272     . 0 0 "[ ]" 1 
       1149 1 59 VAL QG   1 61 VAL MG1  3.850 . 6.000 3.712 3.712 3.712     . 0 0 "[ ]" 1 
       1150 1 59 VAL QG   1 61 VAL MG2  3.850 . 6.000 2.021 2.021 2.021     . 0 0 "[ ]" 1 
       1151 1 59 VAL QG   1 62 LYS H    4.350 . 7.000 4.710 4.710 4.710     . 0 0 "[ ]" 1 
       1152 1 59 VAL QG   1 62 LYS HA   3.390 . 5.080 3.765 3.765 3.765     . 0 0 "[ ]" 1 
       1153 1 59 VAL QG   1 74 ILE HA   3.850 . 6.000 3.458 3.458 3.458     . 0 0 "[ ]" 1 
       1154 1 59 VAL QG   1 74 ILE MD   3.850 . 6.000 2.515 2.515 2.515     . 0 0 "[ ]" 1 
       1155 1 60 LEU H    1 60 LEU HA   2.760 . 3.820 2.894 2.894 2.894     . 0 0 "[ ]" 1 
       1156 1 60 LEU H    1 60 LEU HB2  2.650 . 3.600 2.679 2.679 2.679     . 0 0 "[ ]" 1 
       1157 1 60 LEU H    1 60 LEU HB3  2.710 . 3.710 3.622 3.622 3.622     . 0 0 "[ ]" 1 
       1158 1 60 LEU H    1 60 LEU QD   3.450 . 5.200 2.977 2.977 2.977     . 0 0 "[ ]" 1 
       1159 1 60 LEU H    1 61 VAL H    2.440 . 3.170 2.377 2.377 2.377     . 0 0 "[ ]" 1 
       1160 1 60 LEU H    1 61 VAL MG1  4.350 . 7.000 3.891 3.891 3.891     . 0 0 "[ ]" 1 
       1161 1 60 LEU H    1 61 VAL MG2  3.850 . 6.000 3.479 3.479 3.479     . 0 0 "[ ]" 1 
       1162 1 60 LEU H    1 74 ILE HA   2.770 . 3.850 2.828 2.828 2.828     . 0 0 "[ ]" 1 
       1163 1 60 LEU H    1 74 ILE QG   3.390 . 5.080 3.679 3.679 3.679     . 0 0 "[ ]" 1 
       1164 1 60 LEU H    1 74 ILE MG   4.350 . 7.000 3.668 3.668 3.668     . 0 0 "[ ]" 1 
       1165 1 60 LEU H    1 75 LYS H    3.190 . 4.670 3.975 3.975 3.975     . 0 0 "[ ]" 1 
       1166 1 60 LEU HA   1 60 LEU HB2  2.690 . 3.670 3.003 3.003 3.003     . 0 0 "[ ]" 1 
       1167 1 60 LEU HA   1 60 LEU HB3  2.560 . 3.430 2.360 2.360 2.360     . 0 0 "[ ]" 1 
       1168 1 60 LEU HA   1 60 LEU QD   3.410 . 5.120 2.380 2.380 2.380     . 0 0 "[ ]" 1 
       1169 1 60 LEU HA   1 60 LEU HG   2.770 . 3.830 3.064 3.064 3.064     . 0 0 "[ ]" 1 
       1170 1 60 LEU HA   1 61 VAL H    2.960 . 4.210 3.503 3.503 3.503     . 0 0 "[ ]" 1 
       1171 1 60 LEU HB2  1 60 LEU HG   2.540 . 3.380 2.634 2.634 2.634     . 0 0 "[ ]" 1 
       1172 1 60 LEU HB2  1 61 VAL H    3.070 . 4.440 2.783 2.783 2.783     . 0 0 "[ ]" 1 
       1173 1 60 LEU HB2  1 61 VAL MG1  3.850 . 6.000 2.951 2.951 2.951     . 0 0 "[ ]" 1 
       1174 1 60 LEU HB2  1 73 LEU HA   3.380 . 5.050 4.167 4.167 4.167     . 0 0 "[ ]" 1 
       1175 1 60 LEU HB3  1 60 LEU HG   2.580 . 3.460 2.997 2.997 2.997     . 0 0 "[ ]" 1 
       1176 1 60 LEU HB3  1 61 VAL H    3.150 . 4.590 3.969 3.969 3.969     . 0 0 "[ ]" 1 
       1177 1 60 LEU HB3  1 61 VAL MG1  3.850 . 6.000 4.239 4.239 4.239     . 0 0 "[ ]" 1 
       1178 1 60 LEU HB3  1 73 LEU HA   3.850 . 6.000 5.802 5.802 5.802     . 0 0 "[ ]" 1 
       1179 1 60 LEU QD   1 61 VAL H    4.350 . 7.000 3.922 3.922 3.922     . 0 0 "[ ]" 1 
       1180 1 60 LEU QD   1 72 GLY H    4.100 . 6.500 4.443 4.443 4.443     . 0 0 "[ ]" 1 
       1181 1 60 LEU QD   1 72 GLY QA   3.850 . 6.000 3.075 3.075 3.075     . 0 0 "[ ]" 1 
       1182 1 60 LEU QD   1 73 LEU H    4.100 . 6.500 4.305 4.305 4.305     . 0 0 "[ ]" 1 
       1183 1 60 LEU QD   1 74 ILE H    3.750 . 5.800 4.276 4.276 4.276     . 0 0 "[ ]" 1 
       1184 1 60 LEU QD   1 74 ILE HA   3.850 . 6.000 3.483 3.483 3.483     . 0 0 "[ ]" 1 
       1185 1 60 LEU QD   1 75 LYS H    4.100 . 6.500 4.043 4.043 4.043     . 0 0 "[ ]" 1 
       1186 1 60 LEU HG   1 74 ILE HA   2.750 . 3.790 3.663 3.663 3.663     . 0 0 "[ ]" 1 
       1187 1 60 LEU HG   1 75 LYS H    3.850 . 6.000 4.084 4.084 4.084     . 0 0 "[ ]" 1 
       1188 1 61 VAL H    1 61 VAL HA   2.750 . 3.810 2.897 2.897 2.897     . 0 0 "[ ]" 1 
       1189 1 61 VAL H    1 61 VAL HB   3.120 . 4.540 3.625 3.625 3.625     . 0 0 "[ ]" 1 
       1190 1 61 VAL H    1 61 VAL MG1  3.480 . 5.250 2.297 2.297 2.297     . 0 0 "[ ]" 1 
       1191 1 61 VAL H    1 62 LYS H    3.420 . 5.130 4.588 4.588 4.588     . 0 0 "[ ]" 1 
       1192 1 61 VAL HA   1 61 VAL HB   2.400 . 3.110 2.479 2.479 2.479     . 0 0 "[ ]" 1 
       1193 1 61 VAL HA   1 61 VAL MG1  2.910 . 4.120 2.349 2.349 2.349     . 0 0 "[ ]" 1 
       1194 1 61 VAL HA   1 62 LYS H    2.250 . 2.790 2.204 2.204 2.204     . 0 0 "[ ]" 1 
       1195 1 61 VAL HA   1 67 VAL MG1  3.850 . 6.000 3.804 3.804 3.804     . 0 0 "[ ]" 1 
       1196 1 61 VAL HB   1 62 LYS H    2.390 . 3.080 2.964 2.964 2.964     . 0 0 "[ ]" 1 
       1197 1 61 VAL MG1  1 61 VAL MG2  2.480 . 3.270 2.077 2.077 2.077     . 0 0 "[ ]" 1 
       1198 1 61 VAL MG1  1 62 LYS H    3.640 . 5.580 3.837 3.837 3.837     . 0 0 "[ ]" 1 
       1199 1 61 VAL MG1  1 71 GLN HE21 3.990 . 6.280 3.328 3.328 3.328     . 0 0 "[ ]" 1 
       1200 1 61 VAL MG1  1 71 GLN HE22 3.990 . 6.280 4.037 4.037 4.037     . 0 0 "[ ]" 1 
       1201 1 61 VAL MG1  1 73 LEU H    4.350 . 7.000 4.272 4.272 4.272     . 0 0 "[ ]" 1 
       1202 1 61 VAL MG1  1 73 LEU HA   2.940 . 4.180 1.886 1.886 1.886     . 0 0 "[ ]" 1 
       1203 1 61 VAL MG1  1 73 LEU QD   3.850 . 6.000 1.833 1.833 1.833     . 0 0 "[ ]" 1 
       1204 1 61 VAL MG2  1 62 LYS H    3.620 . 5.540 3.832 3.832 3.832     . 0 0 "[ ]" 1 
       1205 1 61 VAL MG2  1 73 LEU HB2  3.850 . 6.000 4.304 4.304 4.304     . 0 0 "[ ]" 1 
       1206 1 61 VAL MG2  1 74 ILE QG   3.850 . 6.000 2.173 2.173 2.173     . 0 0 "[ ]" 1 
       1207 1 62 LYS H    1 62 LYS HA   2.760 . 3.820 2.958 2.958 2.958     . 0 0 "[ ]" 1 
       1208 1 62 LYS H    1 62 LYS QB   2.840 . 3.980 2.497 2.497 2.497     . 0 0 "[ ]" 1 
       1209 1 62 LYS H    1 63 GLU H    3.350 . 5.000 4.461 4.461 4.461     . 0 0 "[ ]" 1 
       1210 1 62 LYS H    1 65 ASP H    3.310 . 4.920 4.707 4.707 4.707     . 0 0 "[ ]" 1 
       1211 1 62 LYS H    1 65 ASP QB   3.020 . 4.340 2.444 2.444 2.444     . 0 0 "[ ]" 1 
       1212 1 62 LYS HA   1 62 LYS QG   3.290 . 4.880 2.131 2.131 2.131     . 0 0 "[ ]" 1 
       1213 1 62 LYS HA   1 63 GLU H    2.460 . 3.210 2.378 2.378 2.378     . 0 0 "[ ]" 1 
       1214 1 62 LYS QB   1 63 GLU H    3.060 . 4.410 2.500 2.500 2.500     . 0 0 "[ ]" 1 
       1215 1 63 GLU H    1 63 GLU HA   2.760 . 3.820 2.818 2.818 2.818     . 0 0 "[ ]" 1 
       1216 1 63 GLU H    1 63 GLU QB   2.500 . 3.290 2.198 2.198 2.198     . 0 0 "[ ]" 1 
       1217 1 63 GLU H    1 63 GLU QG   3.020 . 4.340 2.743 2.743 2.743     . 0 0 "[ ]" 1 
       1218 1 63 GLU H    1 64 ARG H    3.670 . 5.640 4.630 4.630 4.630     . 0 0 "[ ]" 1 
       1219 1 63 GLU H    1 65 ASP H    3.470 . 5.240 5.079 5.079 5.079     . 0 0 "[ ]" 1 
       1220 1 63 GLU HA   1 63 GLU QG   3.120 . 4.540 2.224 2.224 2.224     . 0 0 "[ ]" 1 
       1221 1 63 GLU HA   1 64 ARG H    2.540 . 3.390 2.233 2.233 2.233     . 0 0 "[ ]" 1 
       1222 1 63 GLU HA   1 65 ASP H    3.230 . 4.760 3.443 3.443 3.443     . 0 0 "[ ]" 1 
       1223 1 63 GLU QB   1 64 ARG H    3.710 . 5.720 2.890 2.890 2.890     . 0 0 "[ ]" 1 
       1224 1 63 GLU QB   1 65 ASP H    4.350 . 7.000 4.695 4.695 4.695     . 0 0 "[ ]" 1 
       1225 1 63 GLU QG   1 64 ARG H    3.970 . 6.240 3.410 3.410 3.410     . 0 0 "[ ]" 1 
       1226 1 64 ARG H    1 64 ARG HA   2.580 . 3.470 2.299 2.299 2.299     . 0 0 "[ ]" 1 
       1227 1 64 ARG H    1 65 ASP H    3.260 . 4.820 2.646 2.646 2.646     . 0 0 "[ ]" 1 
       1228 1 64 ARG HA   1 64 ARG QD   2.940 . 4.170 2.424 2.424 2.424     . 0 0 "[ ]" 1 
       1229 1 64 ARG HA   1 64 ARG QG   3.170 . 4.640 2.361 2.361 2.361     . 0 0 "[ ]" 1 
       1230 1 64 ARG HA   1 65 ASP H    3.050 . 4.400 2.903 2.903 2.903     . 0 0 "[ ]" 1 
       1231 1 64 ARG QB   1 64 ARG QD   3.240 . 4.780 2.017 2.017 2.017     . 0 0 "[ ]" 1 
       1232 1 64 ARG QB   1 65 ASP H    3.550 . 5.400 3.797 3.797 3.797     . 0 0 "[ ]" 1 
       1233 1 64 ARG QG   1 65 ASP H    3.440 . 5.170 4.583 4.583 4.583     . 0 0 "[ ]" 1 
       1234 1 65 ASP H    1 65 ASP HA   2.750 . 3.810 2.961 2.961 2.961     . 0 0 "[ ]" 1 
       1235 1 65 ASP H    1 65 ASP QB   2.540 . 3.380 2.508 2.508 2.508     . 0 0 "[ ]" 1 
       1236 1 65 ASP H    1 66 ALA H    3.250 . 4.800 4.485 4.485 4.485     . 0 0 "[ ]" 1 
       1237 1 65 ASP HA   1 65 ASP QB   2.600 . 3.500 2.477 2.477 2.477     . 0 0 "[ ]" 1 
       1238 1 65 ASP HA   1 66 ALA H    2.210 . 2.710 2.253 2.253 2.253     . 0 0 "[ ]" 1 
       1239 1 65 ASP HA   1 66 ALA MB   3.850 . 6.000 3.994 3.994 3.994     . 0 0 "[ ]" 1 
       1240 1 65 ASP QB   1 66 ALA H    2.840 . 3.980 3.380 3.380 3.380     . 0 0 "[ ]" 1 
       1241 1 66 ALA H    1 66 ALA HA   2.760 . 3.820 2.928 2.928 2.928     . 0 0 "[ ]" 1 
       1242 1 66 ALA H    1 66 ALA MB   2.910 . 4.120 2.305 2.305 2.305     . 0 0 "[ ]" 1 
       1243 1 66 ALA H    1 67 VAL H    3.790 . 5.870 4.545 4.545 4.545     . 0 0 "[ ]" 1 
       1244 1 66 ALA H    1 67 VAL MG1  4.350 . 7.000 4.520 4.520 4.520     . 0 0 "[ ]" 1 
       1245 1 66 ALA HA   1 66 ALA MB   2.480 . 3.250 2.143 2.143 2.143     . 0 0 "[ ]" 1 
       1246 1 66 ALA HA   1 67 VAL H    2.080 . 2.460 2.184 2.184 2.184     . 0 0 "[ ]" 1 
       1247 1 66 ALA HA   1 67 VAL MG1  3.850 . 6.000 3.702 3.702 3.702     . 0 0 "[ ]" 1 
       1248 1 66 ALA HA   1 67 VAL MG2  3.850 . 6.000 3.627 3.627 3.627     . 0 0 "[ ]" 1 
       1249 1 66 ALA MB   1 67 VAL H    3.400 . 5.090 2.914 2.914 2.914     . 0 0 "[ ]" 1 
       1250 1 67 VAL H    1 67 VAL HB   3.850 . 6.000 3.765 3.765 3.765     . 0 0 "[ ]" 1 
       1251 1 67 VAL H    1 68 GLN H    3.920 . 6.130 4.431 4.431 4.431     . 0 0 "[ ]" 1 
       1252 1 67 VAL H    1 73 LEU QD   4.350 . 7.000 5.197 5.197 5.197     . 0 0 "[ ]" 1 
       1253 1 67 VAL HA   1 67 VAL HB   2.540 . 3.390 2.492 2.492 2.492     . 0 0 "[ ]" 1 
       1254 1 67 VAL HA   1 67 VAL MG1  3.040 . 4.380 2.218 2.218 2.218     . 0 0 "[ ]" 1 
       1255 1 67 VAL HA   1 68 GLN H    2.350 . 3.000 2.573 2.573 2.573     . 0 0 "[ ]" 1 
       1256 1 67 VAL HB   1 68 GLN H    2.560 . 3.430 2.061 2.061 2.061     . 0 0 "[ ]" 1 
       1257 1 67 VAL MG1  1 68 GLN H    3.640 . 5.580 3.557 3.557 3.557     . 0 0 "[ ]" 1 
       1258 1 67 VAL MG1  1 71 GLN HE21 4.100 . 6.500 3.324 3.324 3.324     . 0 0 "[ ]" 1 
       1259 1 67 VAL MG1  1 71 GLN HE22 3.850 . 6.000 3.266 3.266 3.266     . 0 0 "[ ]" 1 
       1260 1 67 VAL MG2  1 68 GLN H    3.680 . 5.660 3.216 3.216 3.216     . 0 0 "[ ]" 1 
       1261 1 67 VAL MG2  1 69 GLY H    4.350 . 7.000 4.819 4.819 4.819     . 0 0 "[ ]" 1 
       1262 1 67 VAL MG2  1 70 GLY H    4.350 . 7.000 5.823 5.823 5.823     . 0 0 "[ ]" 1 
       1263 1 67 VAL MG2  1 71 GLN H    4.350 . 7.000 5.836 5.836 5.836     . 0 0 "[ ]" 1 
       1264 1 67 VAL MG2  1 73 LEU QD   3.800 . 6.000 2.620 2.620 2.620     . 0 0 "[ ]" 1 
       1265 1 68 GLN H    1 68 GLN HA   2.760 . 3.820 2.950 2.950 2.950     . 0 0 "[ ]" 1 
       1266 1 68 GLN H    1 68 GLN HB2  2.330 . 2.960 2.633 2.633 2.633     . 0 0 "[ ]" 1 
       1267 1 68 GLN H    1 68 GLN QG   2.890 . 4.080 3.339 3.339 3.339     . 0 0 "[ ]" 1 
       1268 1 68 GLN H    1 69 GLY H    3.620 . 5.540 4.385 4.385 4.385     . 0 0 "[ ]" 1 
       1269 1 68 GLN H    1 71 GLN H    3.410 . 5.120 4.051 4.051 4.051     . 0 0 "[ ]" 1 
       1270 1 68 GLN H    1 71 GLN HA   3.500 . 5.300 5.307 5.307 5.307 0.007 1 0 "[ ]" 1 
       1271 1 68 GLN H    1 71 GLN HB2  3.850 . 6.000 3.179 3.179 3.179     . 0 0 "[ ]" 1 
       1272 1 68 GLN H    1 71 GLN HB3  3.350 . 5.000 2.441 2.441 2.441     . 0 0 "[ ]" 1 
       1273 1 68 GLN H    1 71 GLN HE21 3.710 . 5.720 3.578 3.578 3.578     . 0 0 "[ ]" 1 
       1274 1 68 GLN H    1 71 GLN HE22 3.720 . 5.740 3.623 3.623 3.623     . 0 0 "[ ]" 1 
       1275 1 68 GLN H    1 73 LEU QD   4.350 . 7.000 3.836 3.836 3.836     . 0 0 "[ ]" 1 
       1276 1 68 GLN HA   1 68 GLN HB2  2.690 . 3.680 3.007 3.007 3.007     . 0 0 "[ ]" 1 
       1277 1 68 GLN HA   1 68 GLN HB3  2.540 . 3.380 2.597 2.597 2.597     . 0 0 "[ ]" 1 
       1278 1 68 GLN HA   1 68 GLN QG   3.200 . 4.700 2.207 2.207 2.207     . 0 0 "[ ]" 1 
       1279 1 68 GLN HA   1 69 GLY H    2.460 . 3.210 2.223 2.223 2.223     . 0 0 "[ ]" 1 
       1280 1 68 GLN HA   1 71 GLN H    4.000 . 6.300 4.860 4.860 4.860     . 0 0 "[ ]" 1 
       1281 1 68 GLN HB2  1 68 GLN QG   2.670 . 3.640 2.341 2.341 2.341     . 0 0 "[ ]" 1 
       1282 1 68 GLN HB2  1 69 GLY H    3.430 . 5.160 4.135 4.135 4.135     . 0 0 "[ ]" 1 
       1283 1 68 GLN HB2  1 71 GLN H    3.020 . 4.330 3.702 3.702 3.702     . 0 0 "[ ]" 1 
       1284 1 68 GLN HB3  1 68 GLN QG   2.580 . 3.460 2.391 2.391 2.391     . 0 0 "[ ]" 1 
       1285 1 68 GLN HB3  1 69 GLY H    2.710 . 3.730 2.952 2.952 2.952     . 0 0 "[ ]" 1 
       1286 1 68 GLN HB3  1 70 GLY H    3.810 . 5.910 5.528 5.528 5.528     . 0 0 "[ ]" 1 
       1287 1 68 GLN HE21 1 68 GLN QG   3.100 . 4.500 2.240 2.240 2.240     . 0 0 "[ ]" 1 
       1288 1 68 GLN HE22 1 68 GLN QG   3.430 . 5.160 3.273 3.273 3.273     . 0 0 "[ ]" 1 
       1289 1 68 GLN QG   1 69 GLY H    3.680 . 5.660 3.620 3.620 3.620     . 0 0 "[ ]" 1 
       1290 1 69 GLY H    1 69 GLY QA   2.500 . 3.310 2.205 2.205 2.205     . 0 0 "[ ]" 1 
       1291 1 69 GLY H    1 70 GLY H    3.330 . 4.960 4.467 4.467 4.467     . 0 0 "[ ]" 1 
       1292 1 69 GLY H    1 71 GLN H    3.790 . 5.880 4.364 4.364 4.364     . 0 0 "[ ]" 1 
       1293 1 69 GLY QA   1 70 GLY H    2.310 . 2.930 2.119 2.119 2.119     . 0 0 "[ ]" 1 
       1294 1 69 GLY QA   1 71 GLN H    3.230 . 4.760 3.520 3.520 3.520     . 0 0 "[ ]" 1 
       1295 1 70 GLY H    1 70 GLY QA   2.580 . 3.470 2.305 2.305 2.305     . 0 0 "[ ]" 1 
       1296 1 70 GLY H    1 71 GLN H    2.950 . 4.200 2.741 2.741 2.741     . 0 0 "[ ]" 1 
       1297 1 70 GLY H    1 71 GLN HB3  3.520 . 5.340 4.720 4.720 4.720     . 0 0 "[ ]" 1 
       1298 1 70 GLY QA   1 71 GLN H    2.780 . 3.860 2.815 2.815 2.815     . 0 0 "[ ]" 1 
       1299 1 71 GLN H    1 71 GLN HA   2.580 . 3.470 2.803 2.803 2.803     . 0 0 "[ ]" 1 
       1300 1 71 GLN H    1 71 GLN HB2  2.460 . 3.210 2.422 2.422 2.422     . 0 0 "[ ]" 1 
       1301 1 71 GLN H    1 71 GLN HB3  2.480 . 3.270 2.676 2.676 2.676     . 0 0 "[ ]" 1 
       1302 1 71 GLN H    1 71 GLN HE21 4.030 . 6.360 5.562 5.562 5.562     . 0 0 "[ ]" 1 
       1303 1 71 GLN H    1 71 GLN QG   3.220 . 4.740 3.942 3.942 3.942     . 0 0 "[ ]" 1 
       1304 1 71 GLN H    1 72 GLY H    3.880 . 6.060 4.626 4.626 4.626     . 0 0 "[ ]" 1 
       1305 1 71 GLN H    1 73 LEU QD   4.350 . 7.000 4.878 4.878 4.878     . 0 0 "[ ]" 1 
       1306 1 71 GLN HA   1 71 GLN HB2  2.600 . 3.500 2.519 2.519 2.519     . 0 0 "[ ]" 1 
       1307 1 71 GLN HA   1 71 GLN HB3  2.710 . 3.710 3.023 3.023 3.023     . 0 0 "[ ]" 1 
       1308 1 71 GLN HA   1 71 GLN QG   2.970 . 4.240 2.332 2.332 2.332     . 0 0 "[ ]" 1 
       1309 1 71 GLN HA   1 72 GLY H    2.580 . 3.460 2.216 2.216 2.216     . 0 0 "[ ]" 1 
       1310 1 71 GLN HA   1 72 GLY QA   3.850 . 6.000 3.905 3.905 3.905     . 0 0 "[ ]" 1 
       1311 1 71 GLN HB2  1 71 GLN QG   2.500 . 3.310 2.346 2.346 2.346     . 0 0 "[ ]" 1 
       1312 1 71 GLN HB2  1 72 GLY H    4.050 . 6.410 4.113 4.113 4.113     . 0 0 "[ ]" 1 
       1313 1 71 GLN HB3  1 72 GLY H    4.270 . 6.840 3.870 3.870 3.870     . 0 0 "[ ]" 1 
       1314 1 71 GLN HE21 1 72 GLY H    4.350 . 7.000 4.574 4.574 4.574     . 0 0 "[ ]" 1 
       1315 1 71 GLN QG   1 72 GLY H    3.810 . 5.920 2.237 2.237 2.237     . 0 0 "[ ]" 1 
       1316 1 72 GLY H    1 73 LEU H    3.620 . 5.540 4.478 4.478 4.478     . 0 0 "[ ]" 1 
       1317 1 72 GLY QA   1 73 LEU H    2.310 . 2.920 2.113 2.113 2.113     . 0 0 "[ ]" 1 
       1318 1 72 GLY QA   1 74 ILE H    3.270 . 4.840 3.988 3.988 3.988     . 0 0 "[ ]" 1 
       1319 1 73 LEU H    1 73 LEU HA   2.770 . 3.830 2.920 2.920 2.920     . 0 0 "[ ]" 1 
       1320 1 73 LEU H    1 73 LEU HB2  2.630 . 3.560 2.393 2.393 2.393     . 0 0 "[ ]" 1 
       1321 1 73 LEU H    1 73 LEU HB3  2.700 . 3.700 3.611 3.611 3.611     . 0 0 "[ ]" 1 
       1322 1 73 LEU H    1 73 LEU HG   2.540 . 3.370 2.703 2.703 2.703     . 0 0 "[ ]" 1 
       1323 1 73 LEU H    1 74 ILE H    2.580 . 3.460 2.507 2.507 2.507     . 0 0 "[ ]" 1 
       1324 1 73 LEU HA   1 73 LEU HB2  2.670 . 3.630 3.013 3.013 3.013     . 0 0 "[ ]" 1 
       1325 1 73 LEU HA   1 73 LEU HB3  2.750 . 3.810 2.512 2.512 2.512     . 0 0 "[ ]" 1 
       1326 1 73 LEU HA   1 73 LEU QD   3.000 . 4.290 2.046 2.046 2.046     . 0 0 "[ ]" 1 
       1327 1 73 LEU HA   1 74 ILE H    2.850 . 4.000 3.571 3.571 3.571     . 0 0 "[ ]" 1 
       1328 1 73 LEU HB2  1 73 LEU QD   2.580 . 3.460 2.308 2.308 2.308     . 0 0 "[ ]" 1 
       1329 1 73 LEU HB2  1 74 ILE H    2.600 . 3.500 2.234 2.234 2.234     . 0 0 "[ ]" 1 
       1330 1 73 LEU HB3  1 73 LEU QD   2.540 . 3.370 2.046 2.046 2.046     . 0 0 "[ ]" 1 
       1331 1 73 LEU HB3  1 74 ILE H    2.730 . 3.760 3.178 3.178 3.178     . 0 0 "[ ]" 1 
       1332 1 73 LEU HB3  1 74 ILE MD   3.850 . 6.000 3.655 3.655 3.655     . 0 0 "[ ]" 1 
       1333 1 73 LEU QD   1 74 ILE H    3.850 . 6.000 3.879 3.879 3.879     . 0 0 "[ ]" 1 
       1334 1 73 LEU HG   1 74 ILE H    3.020 . 4.340 4.302 4.302 4.302     . 0 0 "[ ]" 1 
       1335 1 74 ILE H    1 74 ILE HA   2.770 . 3.830 2.942 2.942 2.942     . 0 0 "[ ]" 1 
       1336 1 74 ILE H    1 74 ILE HB   2.710 . 3.710 2.870 2.870 2.870     . 0 0 "[ ]" 1 
       1337 1 74 ILE H    1 74 ILE QG   3.140 . 4.580 2.824 2.824 2.824     . 0 0 "[ ]" 1 
       1338 1 74 ILE H    1 75 LYS H    3.310 . 4.920 4.394 4.394 4.394     . 0 0 "[ ]" 1 
       1339 1 74 ILE HA   1 74 ILE HB   2.710 . 3.730 3.028 3.028 3.028     . 0 0 "[ ]" 1 
       1340 1 74 ILE HA   1 74 ILE MD   3.850 . 6.000 3.852 3.852 3.852     . 0 0 "[ ]" 1 
       1341 1 74 ILE HA   1 74 ILE QG   3.250 . 4.800 2.482 2.482 2.482     . 0 0 "[ ]" 1 
       1342 1 74 ILE HA   1 75 LYS H    2.420 . 3.150 2.272 2.272 2.272     . 0 0 "[ ]" 1 
       1343 1 74 ILE HB   1 74 ILE MD   2.890 . 4.080 2.355 2.355 2.355     . 0 0 "[ ]" 1 
       1344 1 74 ILE HB   1 74 ILE QG   2.490 . 3.280 2.401 2.401 2.401     . 0 0 "[ ]" 1 
       1345 1 74 ILE HB   1 75 LYS H    3.850 . 6.000 3.746 3.746 3.746     . 0 0 "[ ]" 1 
       1346 1 74 ILE MD   1 75 LYS H    3.850 . 6.000 4.717 4.717 4.717     . 0 0 "[ ]" 1 
       1347 1 74 ILE QG   1 75 LYS H    3.460 . 5.210 4.068 4.068 4.068     . 0 0 "[ ]" 1 
       1348 1 74 ILE MG   1 75 LYS H    3.530 . 5.360 2.076 2.076 2.076     . 0 0 "[ ]" 1 
       1349 1 74 ILE MG   1 76 ILE H    4.350 . 7.000 4.538 4.538 4.538     . 0 0 "[ ]" 1 
       1350 1 74 ILE MG   1 76 ILE MD   3.800 . 6.000 2.589 2.589 2.589     . 0 0 "[ ]" 1 
       1351 1 75 LYS H    1 75 LYS HA   2.770 . 3.840 2.938 2.938 2.938     . 0 0 "[ ]" 1 
       1352 1 75 LYS H    1 75 LYS QB   2.520 . 3.350 2.335 2.335 2.335     . 0 0 "[ ]" 1 
       1353 1 75 LYS H    1 76 ILE H    4.350 . 7.000 4.467 4.467 4.467     . 0 0 "[ ]" 1 
       1354 1 75 LYS HA   1 76 ILE H    2.600 . 3.500 2.149 2.149 2.149     . 0 0 "[ ]" 1 
       1355 1 75 LYS QB   1 76 ILE H    4.040 . 6.380 3.657 3.657 3.657     . 0 0 "[ ]" 1 
       1356 1 75 LYS QD   1 76 ILE H    3.850 . 6.000 4.842 4.842 4.842     . 0 0 "[ ]" 1 
       1357 1 76 ILE H    1 76 ILE QG   3.950 . 6.200 2.416 2.416 2.416     . 0 0 "[ ]" 1 
       1358 1 76 ILE H    1 77 GLY H    3.850 . 6.000 4.523 4.523 4.523     . 0 0 "[ ]" 1 
       1359 1 76 ILE HA   1 76 ILE HB   2.850 . 4.000 3.025 3.025 3.025     . 0 0 "[ ]" 1 
       1360 1 76 ILE HA   1 76 ILE MD   3.250 . 4.790 2.042 2.042 2.042     . 0 0 "[ ]" 1 
       1361 1 76 ILE HA   1 76 ILE QG   3.720 . 5.740 3.019 3.019 3.019     . 0 0 "[ ]" 1 
       1362 1 76 ILE HA   1 76 ILE MG   2.690 . 3.670 2.331 2.331 2.331     . 0 0 "[ ]" 1 
       1363 1 76 ILE HA   1 77 GLY H    2.190 . 2.690 2.233 2.233 2.233     . 0 0 "[ ]" 1 
       1364 1 76 ILE HB   1 76 ILE MD   3.100 . 4.500 3.218 3.218 3.218     . 0 0 "[ ]" 1 
       1365 1 76 ILE HB   1 76 ILE QG   2.530 . 3.360 2.203 2.203 2.203     . 0 0 "[ ]" 1 
       1366 1 76 ILE HB   1 76 ILE MG   2.490 . 3.280 2.147 2.147 2.147     . 0 0 "[ ]" 1 
       1367 1 76 ILE HB   1 77 GLY H    3.020 . 4.330 3.834 3.834 3.834     . 0 0 "[ ]" 1 
       1368 1 76 ILE MD   1 77 GLY H    3.850 . 6.000 3.639 3.639 3.639     . 0 0 "[ ]" 1 
       1369 1 76 ILE QG   1 76 ILE MG   2.790 . 3.880 2.334 2.334 2.334     . 0 0 "[ ]" 1 
       1370 1 76 ILE QG   1 77 GLY H    3.410 . 5.120 4.562 4.562 4.562     . 0 0 "[ ]" 1 
       1371 1 76 ILE MG   1 77 GLY H    2.750 . 3.790 2.139 2.139 2.139     . 0 0 "[ ]" 1 
       1372 1 76 ILE MG   1 77 GLY QA   3.850 . 6.000 3.118 3.118 3.118     . 0 0 "[ ]" 1 
       1373 1 77 GLY H    1 77 GLY QA   2.580 . 3.460 2.507 2.507 2.507     . 0 0 "[ ]" 1 
    stop_

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