NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage program type subtype subsubtype
644142 6q1x 30651 cing 4-filtered-FRED Wattos check violation distance


data_6q1x


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              457
    _Distance_constraint_stats_list.Viol_count                    373
    _Distance_constraint_stats_list.Viol_total                    278.645
    _Distance_constraint_stats_list.Viol_max                      0.328
    _Distance_constraint_stats_list.Viol_rms                      0.0137
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0019
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0415
    _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 GLY 0.876 0.064 16 0 "[    .    1    .   ]" 
       1  2 VAL 0.009 0.009  4 0 "[    .    1    .   ]" 
       1  3 LEU 2.081 0.143 13 0 "[    .    1    .   ]" 
       1  4 GLY 1.118 0.120 17 0 "[    .    1    .   ]" 
       1  5 ASN 0.557 0.114 13 0 "[    .    1    .   ]" 
       1  6 ASP 0.102 0.048 12 0 "[    .    1    .   ]" 
       1  7 ALA 1.554 0.162 12 0 "[    .    1    .   ]" 
       1  8 GLU 3.407 0.175 11 0 "[    .    1    .   ]" 
       1  9 GLY 1.195 0.315 10 0 "[    .    1    .   ]" 
       1 10 ILE 3.651 0.315 10 0 "[    .    1    .   ]" 
       1 11 THR 0.555 0.218 11 0 "[    .    1    .   ]" 
       1 12 LEU 1.749 0.179 13 0 "[    .    1    .   ]" 
       1 13 LEU 0.674 0.057 18 0 "[    .    1    .   ]" 
       1 14 PRO 2.116 0.179 13 0 "[    .    1    .   ]" 
       1 15 LEU 2.334 0.143 13 0 "[    .    1    .   ]" 
       1 16 CYS 0.626 0.072  6 0 "[    .    1    .   ]" 
       1 17 PHE 0.731 0.082  8 0 "[    .    1    .   ]" 
       1 18 LYS 0.399 0.120 17 0 "[    .    1    .   ]" 
       1 19 PRO 0.000 0.000  . 0 "[    .    1    .   ]" 
       1 20 ILE 0.146 0.031  4 0 "[    .    1    .   ]" 
       1 21 CYS 0.092 0.020  6 0 "[    .    1    .   ]" 
       1 22 ILE 0.612 0.318  6 0 "[    .    1    .   ]" 
       1 23 PRO 0.607 0.084 15 0 "[    .    1    .   ]" 
       1 24 THR 0.653 0.094  5 0 "[    .    1    .   ]" 
       1 25 LEU 0.970 0.328 14 0 "[    .    1    .   ]" 
       1 26 PRO 0.172 0.095 15 0 "[    .    1    .   ]" 
       1 27 PRO 0.161 0.085  7 0 "[    .    1    .   ]" 
       1 28 LEU 0.232 0.085  7 0 "[    .    1    .   ]" 
       1 29 THR 0.003 0.002  8 0 "[    .    1    .   ]" 
       1 30 GLY 0.000 0.000  . 0 "[    .    1    .   ]" 
       1 31 GLY 0.007 0.005 13 0 "[    .    1    .   ]" 
       1 32 HIS 0.000 0.000  . 0 "[    .    1    .   ]" 
       1 33 ALA 0.000 0.000  . 0 "[    .    1    .   ]" 
    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 GLY H1   1  2 VAL H    . . 4.420 2.755 2.489 2.957     .  0 0 "[    .    1    .   ]" 1 
         2 1  1 GLY H1   1  2 VAL MG2  . . 3.370 3.193 3.029 3.276     .  0 0 "[    .    1    .   ]" 1 
         3 1  1 GLY H1   1  8 GLU H    . . 4.520 3.624 3.406 3.871     .  0 0 "[    .    1    .   ]" 1 
         4 1  1 GLY H1   1  8 GLU HB2  . . 3.380 3.211 3.061 3.393 0.013  8 0 "[    .    1    .   ]" 1 
         5 1  1 GLY H1   1  8 GLU HB3  . . 3.030 2.042 1.951 2.212     .  0 0 "[    .    1    .   ]" 1 
         6 1  1 GLY H1   1  8 GLU HG2  . . 3.310 2.486 2.380 2.551     .  0 0 "[    .    1    .   ]" 1 
         7 1  1 GLY H1   1  8 GLU HG3  . . 4.060 3.559 3.543 3.571     .  0 0 "[    .    1    .   ]" 1 
         8 1  1 GLY H1   1 15 LEU QB   . . 3.890 3.492 2.062 3.912 0.022  2 0 "[    .    1    .   ]" 1 
         9 1  1 GLY H1   1 15 LEU MD1  . . 3.200 2.803 2.522 3.264 0.064 16 0 "[    .    1    .   ]" 1 
        10 1  1 GLY H1   1 16 CYS H    . . 4.470 1.965 1.886 2.118     .  0 0 "[    .    1    .   ]" 1 
        11 1  1 GLY HA2  1  2 VAL H    . . 3.280 2.495 2.378 2.633     .  0 0 "[    .    1    .   ]" 1 
        12 1  1 GLY HA2  1  2 VAL MG1  . . 4.440 4.388 4.346 4.425     .  0 0 "[    .    1    .   ]" 1 
        13 1  1 GLY HA2  1  3 LEU H    . . 4.530 4.424 4.279 4.590 0.060  8 0 "[    .    1    .   ]" 1 
        14 1  1 GLY HA2  1  8 GLU H    . . 5.500 4.273 3.996 4.767     .  0 0 "[    .    1    .   ]" 1 
        15 1  1 GLY HA2  1  8 GLU HG2  . . 5.500 2.994 2.839 3.198     .  0 0 "[    .    1    .   ]" 1 
        16 1  1 GLY HA2  1 15 LEU HA   . . 3.340 2.189 1.917 3.373 0.033 16 0 "[    .    1    .   ]" 1 
        17 1  1 GLY HA2  1 15 LEU QB   . . 3.650 3.317 1.966 3.703 0.053 15 0 "[    .    1    .   ]" 1 
        18 1  1 GLY HA2  1 15 LEU MD1  . . 3.820 2.154 1.927 2.444     .  0 0 "[    .    1    .   ]" 1 
        19 1  1 GLY HA2  1 15 LEU MD2  . . 3.470 2.603 2.030 2.954     .  0 0 "[    .    1    .   ]" 1 
        20 1  1 GLY HA3  1 15 LEU MD1  . . 4.720 2.779 2.450 3.100     .  0 0 "[    .    1    .   ]" 1 
        21 1  1 GLY HA3  1 15 LEU MD2  . . 3.920 3.613 3.170 3.828     .  0 0 "[    .    1    .   ]" 1 
        22 1  2 VAL H    1  2 VAL HB   . . 3.990 3.887 3.884 3.893     .  0 0 "[    .    1    .   ]" 1 
        23 1  2 VAL H    1  2 VAL MG1  . . 3.530 3.411 3.377 3.435     .  0 0 "[    .    1    .   ]" 1 
        24 1  2 VAL H    1  2 VAL MG2  . . 2.950 2.308 2.302 2.318     .  0 0 "[    .    1    .   ]" 1 
        25 1  2 VAL H    1  3 LEU H    . . 2.860 2.003 1.962 2.029     .  0 0 "[    .    1    .   ]" 1 
        26 1  2 VAL H    1  3 LEU QB   . . 4.850 4.481 4.465 4.489     .  0 0 "[    .    1    .   ]" 1 
        27 1  2 VAL H    1  4 GLY H    . . 5.500 5.408 5.277 5.509 0.009  4 0 "[    .    1    .   ]" 1 
        28 1  2 VAL H    1 15 LEU QB   . . 5.490 4.111 2.668 4.528     .  0 0 "[    .    1    .   ]" 1 
        29 1  2 VAL H    1 15 LEU MD1  . . 5.380 4.012 3.761 4.199     .  0 0 "[    .    1    .   ]" 1 
        30 1  2 VAL H    1 15 LEU MD2  . . 4.570 4.022 2.848 4.356     .  0 0 "[    .    1    .   ]" 1 
        31 1  2 VAL HA   1  2 VAL MG1  . . 3.090 2.126 2.107 2.168     .  0 0 "[    .    1    .   ]" 1 
        32 1  2 VAL HA   1  2 VAL MG2  . . 3.370 3.185 3.183 3.189     .  0 0 "[    .    1    .   ]" 1 
        33 1  2 VAL HB   1  3 LEU H    . . 3.660 3.398 3.360 3.458     .  0 0 "[    .    1    .   ]" 1 
        34 1  2 VAL HB   1  3 LEU QB   . . 4.810 3.382 3.330 3.429     .  0 0 "[    .    1    .   ]" 1 
        35 1  2 VAL MG2  1  3 LEU H    . . 2.840 1.891 1.873 1.934     .  0 0 "[    .    1    .   ]" 1 
        36 1  2 VAL MG2  1 16 CYS HA   . . 4.680 3.187 2.696 3.770     .  0 0 "[    .    1    .   ]" 1 
        37 1  3 LEU H    1  3 LEU QB   . . 3.000 2.957 2.945 2.984     .  0 0 "[    .    1    .   ]" 1 
        38 1  3 LEU H    1  4 GLY HA2  . . 5.500 5.253 5.056 5.413     .  0 0 "[    .    1    .   ]" 1 
        39 1  3 LEU H    1  4 GLY HA3  . . 5.040 4.472 4.417 4.525     .  0 0 "[    .    1    .   ]" 1 
        40 1  3 LEU H    1 15 LEU MD1  . . 5.500 5.402 5.173 5.643 0.143 13 0 "[    .    1    .   ]" 1 
        41 1  3 LEU H    1 15 LEU MD2  . . 5.500 5.280 4.119 5.580 0.080 15 0 "[    .    1    .   ]" 1 
        42 1  3 LEU HA   1  3 LEU QB   . . 2.770 2.241 2.213 2.261     .  0 0 "[    .    1    .   ]" 1 
        43 1  3 LEU HA   1  3 LEU QD   . . 2.910 2.148 2.069 2.260     .  0 0 "[    .    1    .   ]" 1 
        44 1  3 LEU HA   1  4 GLY H    . . 2.770 2.190 2.164 2.216     .  0 0 "[    .    1    .   ]" 1 
        45 1  3 LEU HA   1  4 GLY HA2  . . 4.630 4.470 4.441 4.501     .  0 0 "[    .    1    .   ]" 1 
        46 1  3 LEU QB   1  3 LEU QD   . . 2.790 1.917 1.888 1.941     .  0 0 "[    .    1    .   ]" 1 
        47 1  3 LEU QB   1  4 GLY H    . . 4.140 3.616 3.577 3.691     .  0 0 "[    .    1    .   ]" 1 
        48 1  3 LEU QD   1  4 GLY H    . . 2.850 2.085 1.926 2.285     .  0 0 "[    .    1    .   ]" 1 
        49 1  3 LEU QD   1  4 GLY HA3  . . 4.050 3.923 3.842 4.058 0.008 15 0 "[    .    1    .   ]" 1 
        50 1  3 LEU QD   1 17 PHE QE   . . 3.900 3.902 3.704 3.982 0.082  8 0 "[    .    1    .   ]" 1 
        51 1  3 LEU QD   1 17 PHE HZ   . . 4.330 4.218 3.815 4.343 0.013  6 0 "[    .    1    .   ]" 1 
        52 1  3 LEU HG   1  4 GLY H    . . 3.320 3.247 3.072 3.373 0.053 18 0 "[    .    1    .   ]" 1 
        53 1  3 LEU HG   1 17 PHE QE   . . 4.340 3.987 3.789 4.366 0.026 13 0 "[    .    1    .   ]" 1 
        54 1  3 LEU HG   1 17 PHE HZ   . . 5.300 5.012 4.062 5.319 0.019 15 0 "[    .    1    .   ]" 1 
        55 1  4 GLY HA2  1  5 ASN H    . . 3.220 3.191 3.031 3.334 0.114 13 0 "[    .    1    .   ]" 1 
        56 1  4 GLY HA2  1  5 ASN HB2  . . 4.570 4.463 4.339 4.583 0.013 13 0 "[    .    1    .   ]" 1 
        57 1  4 GLY HA2  1 16 CYS HA   . . 5.300 4.216 3.279 4.921     .  0 0 "[    .    1    .   ]" 1 
        58 1  4 GLY HA2  1 17 PHE H    . . 5.500 4.004 3.250 4.667     .  0 0 "[    .    1    .   ]" 1 
        59 1  4 GLY HA2  1 17 PHE HA   . . 5.000 4.213 4.039 4.382     .  0 0 "[    .    1    .   ]" 1 
        60 1  4 GLY HA2  1 17 PHE QB   . . 4.890 4.414 4.126 4.802     .  0 0 "[    .    1    .   ]" 1 
        61 1  4 GLY HA2  1 17 PHE QE   . . 3.740 2.876 2.616 2.983     .  0 0 "[    .    1    .   ]" 1 
        62 1  4 GLY HA2  1 17 PHE HZ   . . 4.230 3.150 2.910 3.678     .  0 0 "[    .    1    .   ]" 1 
        63 1  4 GLY HA3  1  5 ASN H    . . 3.110 2.155 2.136 2.200     .  0 0 "[    .    1    .   ]" 1 
        64 1  4 GLY HA3  1 16 CYS H    . . 5.500 4.945 4.176 5.366     .  0 0 "[    .    1    .   ]" 1 
        65 1  4 GLY HA3  1 16 CYS HA   . . 3.970 2.811 2.137 3.409     .  0 0 "[    .    1    .   ]" 1 
        66 1  4 GLY HA3  1 17 PHE H    . . 4.020 2.717 2.370 3.271     .  0 0 "[    .    1    .   ]" 1 
        67 1  4 GLY HA3  1 17 PHE QD   . . 3.960 3.307 3.194 3.536     .  0 0 "[    .    1    .   ]" 1 
        68 1  4 GLY HA3  1 17 PHE QE   . . 4.400 3.843 3.686 4.020     .  0 0 "[    .    1    .   ]" 1 
        69 1  4 GLY HA3  1 17 PHE HZ   . . 5.480 4.624 4.305 5.144     .  0 0 "[    .    1    .   ]" 1 
        70 1  4 GLY HA3  1 18 LYS H    . . 5.500 5.397 5.143 5.620 0.120 17 0 "[    .    1    .   ]" 1 
        71 1  5 ASN H    1  5 ASN HB2  . . 3.780 3.179 2.502 3.509     .  0 0 "[    .    1    .   ]" 1 
        72 1  5 ASN H    1  5 ASN HB3  . . 3.790 2.991 2.649 3.696     .  0 0 "[    .    1    .   ]" 1 
        73 1  5 ASN H    1  6 ASP H    . . 2.810 2.423 2.213 2.677     .  0 0 "[    .    1    .   ]" 1 
        74 1  5 ASN H    1  6 ASP QB   . . 4.870 4.002 3.845 4.309     .  0 0 "[    .    1    .   ]" 1 
        75 1  5 ASN H    1 17 PHE H    . . 4.960 3.734 3.360 4.060     .  0 0 "[    .    1    .   ]" 1 
        76 1  5 ASN H    1 17 PHE QD   . . 4.430 2.876 2.383 3.810     .  0 0 "[    .    1    .   ]" 1 
        77 1  5 ASN H    1 17 PHE QE   . . 5.500 3.843 3.254 4.684     .  0 0 "[    .    1    .   ]" 1 
        78 1  5 ASN H    1 18 LYS H    . . 4.410 4.209 3.904 4.414 0.004  8 0 "[    .    1    .   ]" 1 
        79 1  5 ASN HB2  1  5 ASN QD   . . 3.240 2.831 2.460 2.971     .  0 0 "[    .    1    .   ]" 1 
        80 1  5 ASN HB2  1  5 ASN HD22 . . 3.860 3.783 3.591 3.860     . 10 0 "[    .    1    .   ]" 1 
        81 1  5 ASN HB2  1  6 ASP H    . . 4.600 3.365 2.440 3.737     .  0 0 "[    .    1    .   ]" 1 
        82 1  5 ASN HB2  1 17 PHE QD   . . 4.780 2.866 1.995 3.574     .  0 0 "[    .    1    .   ]" 1 
        83 1  5 ASN HB2  1 17 PHE QE   . . 4.150 2.426 1.993 3.232     .  0 0 "[    .    1    .   ]" 1 
        84 1  5 ASN HB3  1  5 ASN QD   . . 3.200 2.219 2.125 2.528     .  0 0 "[    .    1    .   ]" 1 
        85 1  5 ASN HB3  1  5 ASN HD22 . . 3.820 3.487 3.447 3.625     .  0 0 "[    .    1    .   ]" 1 
        86 1  5 ASN HB3  1  6 ASP H    . . 3.420 2.262 1.944 2.898     .  0 0 "[    .    1    .   ]" 1 
        87 1  5 ASN HB3  1  6 ASP QB   . . 4.740 3.855 3.640 4.310     .  0 0 "[    .    1    .   ]" 1 
        88 1  5 ASN HB3  1 17 PHE QE   . . 4.210 3.276 2.265 4.222 0.012 13 0 "[    .    1    .   ]" 1 
        89 1  6 ASP H    1  6 ASP HB2  . . 3.470 2.377 2.126 2.784     .  0 0 "[    .    1    .   ]" 1 
        90 1  6 ASP H    1  6 ASP QB   . . 2.880 2.171 2.105 2.244     .  0 0 "[    .    1    .   ]" 1 
        91 1  6 ASP H    1  6 ASP HB3  . . 3.470 2.754 2.345 3.377     .  0 0 "[    .    1    .   ]" 1 
        92 1  6 ASP H    1  7 ALA H    . . 4.710 3.977 2.986 4.625     .  0 0 "[    .    1    .   ]" 1 
        93 1  6 ASP H    1 17 PHE HA   . . 5.500 2.395 2.139 2.627     .  0 0 "[    .    1    .   ]" 1 
        94 1  6 ASP H    1 17 PHE QD   . . 4.200 3.086 2.723 3.977     .  0 0 "[    .    1    .   ]" 1 
        95 1  6 ASP H    1 18 LYS H    . . 3.230 3.063 2.754 3.278 0.048 12 0 "[    .    1    .   ]" 1 
        96 1  6 ASP H    1 18 LYS QB   . . 4.450 3.894 3.603 4.113     .  0 0 "[    .    1    .   ]" 1 
        97 1  6 ASP HA   1  7 ALA MB   . . 4.540 3.954 3.866 4.036     .  0 0 "[    .    1    .   ]" 1 
        98 1  6 ASP QB   1  7 ALA H    . . 3.510 2.385 1.896 3.008     .  0 0 "[    .    1    .   ]" 1 
        99 1  6 ASP QB   1  7 ALA MB   . . 5.340 4.135 3.082 4.569     .  0 0 "[    .    1    .   ]" 1 
       100 1  6 ASP QB   1 17 PHE HA   . . 4.260 3.099 2.816 3.559     .  0 0 "[    .    1    .   ]" 1 
       101 1  6 ASP QB   1 17 PHE QB   . . 5.330 4.114 3.939 4.419     .  0 0 "[    .    1    .   ]" 1 
       102 1  6 ASP QB   1 18 LYS HA   . . 3.990 2.408 2.102 2.898     .  0 0 "[    .    1    .   ]" 1 
       103 1  6 ASP QB   1 18 LYS QB   . . 3.450 2.159 1.960 2.397     .  0 0 "[    .    1    .   ]" 1 
       104 1  6 ASP QB   1 18 LYS QD   . . 5.340 3.860 3.427 4.569     .  0 0 "[    .    1    .   ]" 1 
       105 1  6 ASP QB   1 18 LYS QG   . . 4.380 3.940 3.816 4.078     .  0 0 "[    .    1    .   ]" 1 
       106 1  6 ASP HB2  1  7 ALA H    . . 4.000 3.567 2.500 3.847     .  0 0 "[    .    1    .   ]" 1 
       107 1  6 ASP HB2  1 18 LYS H    . . 3.930 2.837 2.343 3.638     .  0 0 "[    .    1    .   ]" 1 
       108 1  6 ASP HB2  1 18 LYS HB2  . . 5.170 2.438 2.051 2.840     .  0 0 "[    .    1    .   ]" 1 
       109 1  6 ASP HB2  1 18 LYS HB3  . . 5.170 3.077 2.669 3.418     .  0 0 "[    .    1    .   ]" 1 
       110 1  6 ASP HB3  1  7 ALA H    . . 4.000 2.439 1.906 3.141     .  0 0 "[    .    1    .   ]" 1 
       111 1  6 ASP HB3  1 18 LYS H    . . 3.930 3.026 2.292 3.960 0.030 17 0 "[    .    1    .   ]" 1 
       112 1  6 ASP HB3  1 18 LYS HB2  . . 5.170 2.952 2.176 3.880     .  0 0 "[    .    1    .   ]" 1 
       113 1  6 ASP HB3  1 18 LYS HB3  . . 5.170 3.764 2.876 4.820     .  0 0 "[    .    1    .   ]" 1 
       114 1  7 ALA H    1  7 ALA MB   . . 2.750 2.627 2.319 2.912 0.162 12 0 "[    .    1    .   ]" 1 
       115 1  7 ALA H    1  8 GLU H    . . 5.500 4.313 4.200 4.373     .  0 0 "[    .    1    .   ]" 1 
       116 1  7 ALA H    1  8 GLU HA   . . 5.070 4.764 4.575 4.948     .  0 0 "[    .    1    .   ]" 1 
       117 1  7 ALA H    1  9 GLY H    . . 5.500 5.339 4.955 5.588 0.088 17 0 "[    .    1    .   ]" 1 
       118 1  7 ALA HA   1  8 GLU H    . . 2.770 2.268 2.142 2.452     .  0 0 "[    .    1    .   ]" 1 
       119 1  7 ALA HA   1  8 GLU HB3  . . 4.630 4.244 4.105 4.357     .  0 0 "[    .    1    .   ]" 1 
       120 1  7 ALA HA   1  8 GLU HG2  . . 5.440 4.550 4.434 4.690     .  0 0 "[    .    1    .   ]" 1 
       121 1  7 ALA MB   1  8 GLU H    . . 3.450 2.872 2.362 3.286     .  0 0 "[    .    1    .   ]" 1 
       122 1  7 ALA MB   1  8 GLU HA   . . 5.280 4.230 3.946 4.465     .  0 0 "[    .    1    .   ]" 1 
       123 1  7 ALA MB   1  8 GLU HG2  . . 5.210 4.657 4.395 4.864     .  0 0 "[    .    1    .   ]" 1 
       124 1  7 ALA MB   1  9 GLY H    . . 3.860 2.607 2.371 2.912     .  0 0 "[    .    1    .   ]" 1 
       125 1  7 ALA MB   1  9 GLY QA   . . 5.340 3.763 3.603 3.838     .  0 0 "[    .    1    .   ]" 1 
       126 1  8 GLU H    1  8 GLU HB2  . . 3.660 3.667 3.563 3.816 0.156 12 0 "[    .    1    .   ]" 1 
       127 1  8 GLU H    1  8 GLU HB3  . . 3.200 2.529 2.319 2.829     .  0 0 "[    .    1    .   ]" 1 
       128 1  8 GLU H    1  8 GLU HG2  . . 4.300 2.549 2.509 2.600     .  0 0 "[    .    1    .   ]" 1 
       129 1  8 GLU H    1  8 GLU HG3  . . 3.850 3.632 3.502 3.738     .  0 0 "[    .    1    .   ]" 1 
       130 1  8 GLU H    1  9 GLY H    . . 3.330 2.257 1.875 2.535     .  0 0 "[    .    1    .   ]" 1 
       131 1  8 GLU H    1  9 GLY HA2  . . 5.500 4.796 4.457 5.063     .  0 0 "[    .    1    .   ]" 1 
       132 1  8 GLU H    1  9 GLY HA3  . . 5.500 4.891 4.549 5.133     .  0 0 "[    .    1    .   ]" 1 
       133 1  8 GLU H    1 16 CYS H    . . 5.000 3.132 2.907 3.697     .  0 0 "[    .    1    .   ]" 1 
       134 1  8 GLU H    1 16 CYS QB   . . 4.610 3.820 3.475 4.184     .  0 0 "[    .    1    .   ]" 1 
       135 1  8 GLU HA   1  8 GLU HG2  . . 4.030 3.820 3.798 3.848     .  0 0 "[    .    1    .   ]" 1 
       136 1  8 GLU HA   1  8 GLU HG3  . . 3.680 3.595 3.578 3.607     .  0 0 "[    .    1    .   ]" 1 
       137 1  8 GLU HA   1  9 GLY H    . . 3.410 3.368 3.204 3.442 0.032 16 0 "[    .    1    .   ]" 1 
       138 1  8 GLU HA   1 15 LEU MD1  . . 5.210 4.147 4.020 4.529     .  0 0 "[    .    1    .   ]" 1 
       139 1  8 GLU HA   1 21 CYS HB2  . . 4.570 3.604 2.544 4.309     .  0 0 "[    .    1    .   ]" 1 
       140 1  8 GLU HA   1 21 CYS HB3  . . 4.870 3.726 2.371 4.723     .  0 0 "[    .    1    .   ]" 1 
       141 1  8 GLU HB2  1  8 GLU HG3  . . 2.890 2.463 2.439 2.492     .  0 0 "[    .    1    .   ]" 1 
       142 1  8 GLU HB2  1  9 GLY H    . . 4.640 4.339 4.229 4.517     .  0 0 "[    .    1    .   ]" 1 
       143 1  8 GLU HB2  1 16 CYS H    . . 4.210 4.161 3.827 4.282 0.072  6 0 "[    .    1    .   ]" 1 
       144 1  8 GLU HB2  1 16 CYS QB   . . 4.270 2.893 2.528 3.102     .  0 0 "[    .    1    .   ]" 1 
       145 1  8 GLU HB2  1 21 CYS HB3  . . 4.590 2.744 2.235 3.230     .  0 0 "[    .    1    .   ]" 1 
       146 1  8 GLU HB3  1  8 GLU HG2  . . 2.750 2.421 2.394 2.444     .  0 0 "[    .    1    .   ]" 1 
       147 1  8 GLU HB3  1  9 GLY H    . . 4.350 4.035 3.917 4.243     .  0 0 "[    .    1    .   ]" 1 
       148 1  8 GLU HB3  1 16 CYS H    . . 4.800 2.463 2.220 2.586     .  0 0 "[    .    1    .   ]" 1 
       149 1  8 GLU HB3  1 16 CYS QB   . . 5.150 2.040 1.943 2.240     .  0 0 "[    .    1    .   ]" 1 
       150 1  8 GLU HG2  1  9 GLY H    . . 4.330 3.022 2.808 3.496     .  0 0 "[    .    1    .   ]" 1 
       151 1  8 GLU HG2  1  9 GLY QA   . . 4.960 4.124 4.008 4.271     .  0 0 "[    .    1    .   ]" 1 
       152 1  8 GLU HG2  1 10 ILE HA   . . 5.500 5.357 5.060 5.588 0.088 10 0 "[    .    1    .   ]" 1 
       153 1  8 GLU HG2  1 10 ILE HB   . . 4.830 4.018 3.591 4.155     .  0 0 "[    .    1    .   ]" 1 
       154 1  8 GLU HG2  1 10 ILE MD   . . 3.610 3.427 1.953 3.665 0.055 17 0 "[    .    1    .   ]" 1 
       155 1  8 GLU HG2  1 10 ILE QG   . . 5.340 2.411 2.209 3.141     .  0 0 "[    .    1    .   ]" 1 
       156 1  8 GLU HG2  1 10 ILE MG   . . 5.100 5.008 4.787 5.098     .  0 0 "[    .    1    .   ]" 1 
       157 1  8 GLU HG2  1 15 LEU QB   . . 4.000 3.659 2.583 4.003 0.003  4 0 "[    .    1    .   ]" 1 
       158 1  8 GLU HG2  1 15 LEU MD1  . . 4.610 1.916 1.869 2.048     .  0 0 "[    .    1    .   ]" 1 
       159 1  8 GLU HG3  1  9 GLY H    . . 4.190 3.325 3.002 3.839     .  0 0 "[    .    1    .   ]" 1 
       160 1  8 GLU HG3  1  9 GLY QA   . . 4.210 3.298 3.204 3.601     .  0 0 "[    .    1    .   ]" 1 
       161 1  8 GLU HG3  1 10 ILE HB   . . 5.500 5.098 4.532 5.363     .  0 0 "[    .    1    .   ]" 1 
       162 1  8 GLU HG3  1 10 ILE MD   . . 3.680 3.089 2.636 3.263     .  0 0 "[    .    1    .   ]" 1 
       163 1  8 GLU HG3  1 10 ILE QG   . . 4.100 2.885 2.469 3.276     .  0 0 "[    .    1    .   ]" 1 
       164 1  8 GLU HG3  1 10 ILE MG   . . 5.500 5.516 5.179 5.675 0.175 11 0 "[    .    1    .   ]" 1 
       165 1  8 GLU HG3  1 15 LEU MD1  . . 4.840 3.282 3.253 3.359     .  0 0 "[    .    1    .   ]" 1 
       166 1  8 GLU HG3  1 16 CYS QB   . . 5.160 4.453 4.289 4.603     .  0 0 "[    .    1    .   ]" 1 
       167 1  8 GLU HG3  1 21 CYS HB3  . . 5.500 4.946 3.973 5.520 0.020  6 0 "[    .    1    .   ]" 1 
       168 1  9 GLY H    1 10 ILE H    . . 4.030 1.998 1.813 2.245     .  0 0 "[    .    1    .   ]" 1 
       169 1  9 GLY H    1 15 LEU MD1  . . 5.500 2.370 2.115 2.808     .  0 0 "[    .    1    .   ]" 1 
       170 1  9 GLY H    1 16 CYS H    . . 5.500 5.204 4.820 5.522 0.022 11 0 "[    .    1    .   ]" 1 
       171 1  9 GLY QA   1 10 ILE MD   . . 3.990 3.258 2.929 4.305 0.315 10 0 "[    .    1    .   ]" 1 
       172 1 10 ILE H    1 10 ILE HB   . . 3.410 2.830 2.744 2.931     .  0 0 "[    .    1    .   ]" 1 
       173 1 10 ILE H    1 10 ILE MD   . . 5.460 2.813 2.556 3.555     .  0 0 "[    .    1    .   ]" 1 
       174 1 10 ILE H    1 10 ILE HG12 . . 4.520 2.204 1.897 4.149     .  0 0 "[    .    1    .   ]" 1 
       175 1 10 ILE H    1 10 ILE QG   . . 3.790 2.031 1.890 2.674     .  0 0 "[    .    1    .   ]" 1 
       176 1 10 ILE H    1 10 ILE HG13 . . 4.520 3.457 2.706 4.004     .  0 0 "[    .    1    .   ]" 1 
       177 1 10 ILE H    1 11 THR H    . . 5.500 4.561 4.435 4.630     .  0 0 "[    .    1    .   ]" 1 
       178 1 10 ILE HA   1 10 ILE MD   . . 3.900 2.346 2.010 3.948 0.048 11 0 "[    .    1    .   ]" 1 
       179 1 10 ILE HA   1 10 ILE HG12 . . 4.060 3.363 2.976 3.439     .  0 0 "[    .    1    .   ]" 1 
       180 1 10 ILE HA   1 10 ILE QG   . . 3.450 3.124 2.575 3.221     .  0 0 "[    .    1    .   ]" 1 
       181 1 10 ILE HA   1 10 ILE HG13 . . 4.060 3.733 2.820 3.883     .  0 0 "[    .    1    .   ]" 1 
       182 1 10 ILE HA   1 10 ILE MG   . . 3.190 2.075 2.028 2.182     .  0 0 "[    .    1    .   ]" 1 
       183 1 10 ILE HA   1 11 THR H    . . 3.180 2.388 2.276 2.439     .  0 0 "[    .    1    .   ]" 1 
       184 1 10 ILE HA   1 11 THR MG   . . 5.500 5.457 5.392 5.499     .  0 0 "[    .    1    .   ]" 1 
       185 1 10 ILE HA   1 12 LEU H    . . 4.620 4.044 3.931 4.083     .  0 0 "[    .    1    .   ]" 1 
       186 1 10 ILE HB   1 10 ILE MD   . . 3.330 3.095 2.132 3.222     .  0 0 "[    .    1    .   ]" 1 
       187 1 10 ILE HB   1 11 THR H    . . 4.270 3.291 3.101 3.680     .  0 0 "[    .    1    .   ]" 1 
       188 1 10 ILE HB   1 12 LEU H    . . 4.870 2.885 2.671 3.186     .  0 0 "[    .    1    .   ]" 1 
       189 1 10 ILE HB   1 12 LEU HG   . . 3.970 3.966 3.913 4.113 0.143 11 0 "[    .    1    .   ]" 1 
       190 1 10 ILE HB   1 15 LEU MD1  . . 3.300 1.915 1.845 1.990     .  0 0 "[    .    1    .   ]" 1 
       191 1 10 ILE HB   1 15 LEU MD2  . . 3.850 2.455 2.089 3.222     .  0 0 "[    .    1    .   ]" 1 
       192 1 10 ILE MD   1 10 ILE MG   . . 3.540 2.227 2.115 2.531     .  0 0 "[    .    1    .   ]" 1 
       193 1 10 ILE MD   1 11 THR H    . . 4.750 4.015 3.723 4.968 0.218 11 0 "[    .    1    .   ]" 1 
       194 1 10 ILE QG   1 10 ILE MG   . . 3.040 2.167 2.022 2.214     .  0 0 "[    .    1    .   ]" 1 
       195 1 10 ILE QG   1 11 THR H    . . 4.520 4.378 4.139 4.447     .  0 0 "[    .    1    .   ]" 1 
       196 1 10 ILE QG   1 12 LEU H    . . 4.800 4.501 4.424 4.628     .  0 0 "[    .    1    .   ]" 1 
       197 1 10 ILE QG   1 15 LEU MD1  . . 2.690 2.152 1.830 2.751 0.061 10 0 "[    .    1    .   ]" 1 
       198 1 10 ILE HG12 1 11 THR H    . . 5.140 4.922 4.525 5.048     .  0 0 "[    .    1    .   ]" 1 
       199 1 10 ILE HG13 1 11 THR H    . . 5.140 4.910 4.793 4.957     .  0 0 "[    .    1    .   ]" 1 
       200 1 10 ILE MG   1 11 THR H    . . 3.120 1.900 1.848 1.958     .  0 0 "[    .    1    .   ]" 1 
       201 1 10 ILE MG   1 11 THR HA   . . 4.490 4.204 4.112 4.260     .  0 0 "[    .    1    .   ]" 1 
       202 1 10 ILE MG   1 12 LEU H    . . 2.900 1.973 1.826 2.173     .  0 0 "[    .    1    .   ]" 1 
       203 1 10 ILE MG   1 12 LEU HA   . . 4.450 4.125 3.810 4.508 0.058 13 0 "[    .    1    .   ]" 1 
       204 1 10 ILE MG   1 12 LEU HG   . . 2.740 2.117 1.930 2.769 0.029 17 0 "[    .    1    .   ]" 1 
       205 1 10 ILE MG   1 15 LEU HG   . . 5.500 4.860 4.454 5.444     .  0 0 "[    .    1    .   ]" 1 
       206 1 11 THR H    1 11 THR HB   . . 3.420 2.661 2.570 2.898     .  0 0 "[    .    1    .   ]" 1 
       207 1 11 THR H    1 11 THR MG   . . 3.840 3.802 3.686 3.840 0.000  8 0 "[    .    1    .   ]" 1 
       208 1 11 THR H    1 12 LEU H    . . 3.870 2.298 2.112 2.755     .  0 0 "[    .    1    .   ]" 1 
       209 1 11 THR H    1 12 LEU HG   . . 5.500 3.704 3.388 4.583     .  0 0 "[    .    1    .   ]" 1 
       210 1 11 THR HA   1 11 THR MG   . . 2.810 2.230 2.136 2.302     .  0 0 "[    .    1    .   ]" 1 
       211 1 11 THR HB   1 12 LEU H    . . 3.660 3.139 2.926 3.220     .  0 0 "[    .    1    .   ]" 1 
       212 1 11 THR HB   1 12 LEU HA   . . 4.730 4.184 4.021 4.258     .  0 0 "[    .    1    .   ]" 1 
       213 1 11 THR HB   1 12 LEU HG   . . 4.210 4.101 3.802 4.270 0.060 11 0 "[    .    1    .   ]" 1 
       214 1 11 THR MG   1 12 LEU H    . . 4.240 3.988 3.892 4.105     .  0 0 "[    .    1    .   ]" 1 
       215 1 12 LEU H    1 12 LEU MD2  . . 4.160 3.523 3.428 3.586     .  0 0 "[    .    1    .   ]" 1 
       216 1 12 LEU H    1 12 LEU HG   . . 2.750 2.136 1.963 2.464     .  0 0 "[    .    1    .   ]" 1 
       217 1 12 LEU H    1 15 LEU MD2  . . 4.500 3.028 2.669 3.909     .  0 0 "[    .    1    .   ]" 1 
       218 1 12 LEU HA   1 12 LEU MD1  . . 4.680 3.922 3.869 3.954     .  0 0 "[    .    1    .   ]" 1 
       219 1 12 LEU HA   1 12 LEU MD2  . . 2.850 2.361 1.996 2.546     .  0 0 "[    .    1    .   ]" 1 
       220 1 12 LEU HA   1 12 LEU HG   . . 2.890 2.898 2.861 2.944 0.054 11 0 "[    .    1    .   ]" 1 
       221 1 12 LEU HA   1 13 LEU QB   . . 5.300 4.154 4.020 4.205     .  0 0 "[    .    1    .   ]" 1 
       222 1 12 LEU HA   1 14 PRO HD2  . . 4.000 3.756 3.396 3.856     .  0 0 "[    .    1    .   ]" 1 
       223 1 12 LEU HA   1 14 PRO HG2  . . 5.500 5.419 5.028 5.520 0.020  8 0 "[    .    1    .   ]" 1 
       224 1 12 LEU QB   1 12 LEU MD2  . . 2.980 2.149 2.059 2.283     .  0 0 "[    .    1    .   ]" 1 
       225 1 12 LEU QB   1 13 LEU H    . . 4.600 2.403 2.264 2.890     .  0 0 "[    .    1    .   ]" 1 
       226 1 12 LEU QB   1 14 PRO HD2  . . 5.500 2.308 2.173 2.775     .  0 0 "[    .    1    .   ]" 1 
       227 1 12 LEU QB   1 14 PRO HD3  . . 4.260 3.951 3.799 4.439 0.179 13 0 "[    .    1    .   ]" 1 
       228 1 12 LEU QB   1 15 LEU MD2  . . 2.870 1.976 1.696 2.169     .  0 0 "[    .    1    .   ]" 1 
       229 1 12 LEU MD1  1 15 LEU HG   . . 5.500 5.238 4.415 5.508 0.008  2 0 "[    .    1    .   ]" 1 
       230 1 12 LEU MD2  1 13 LEU H    . . 4.360 3.411 3.131 3.619     .  0 0 "[    .    1    .   ]" 1 
       231 1 12 LEU MD2  1 14 PRO HD2  . . 4.540 3.601 3.280 3.747     .  0 0 "[    .    1    .   ]" 1 
       232 1 12 LEU MD2  1 14 PRO HG2  . . 4.300 4.112 3.527 4.297     .  0 0 "[    .    1    .   ]" 1 
       233 1 13 LEU H    1 13 LEU QB   . . 3.080 2.095 2.089 2.109     .  0 0 "[    .    1    .   ]" 1 
       234 1 13 LEU H    1 13 LEU MD1  . . 4.360 4.265 4.239 4.272     .  0 0 "[    .    1    .   ]" 1 
       235 1 13 LEU H    1 13 LEU HG   . . 4.760 4.030 3.991 4.048     .  0 0 "[    .    1    .   ]" 1 
       236 1 13 LEU H    1 14 PRO HD2  . . 4.110 1.855 1.729 1.905     .  0 0 "[    .    1    .   ]" 1 
       237 1 13 LEU H    1 14 PRO HD3  . . 3.790 2.970 2.871 3.005     .  0 0 "[    .    1    .   ]" 1 
       238 1 13 LEU H    1 14 PRO HG2  . . 4.100 4.077 3.954 4.129 0.029  9 0 "[    .    1    .   ]" 1 
       239 1 13 LEU H    1 14 PRO HG3  . . 4.520 4.482 4.361 4.529 0.009  9 0 "[    .    1    .   ]" 1 
       240 1 13 LEU HA   1 13 LEU MD1  . . 3.390 2.503 2.346 2.516     .  0 0 "[    .    1    .   ]" 1 
       241 1 13 LEU QB   1 14 PRO HD2  . . 4.760 2.426 2.407 2.463     .  0 0 "[    .    1    .   ]" 1 
       242 1 13 LEU QB   1 14 PRO HD3  . . 3.010 1.946 1.937 1.965     .  0 0 "[    .    1    .   ]" 1 
       243 1 13 LEU QB   1 14 PRO HG3  . . 4.230 4.068 4.055 4.094     .  0 0 "[    .    1    .   ]" 1 
       244 1 13 LEU MD1  1 14 PRO HB3  . . 4.700 4.499 4.482 4.522     .  0 0 "[    .    1    .   ]" 1 
       245 1 13 LEU MD1  1 14 PRO HG2  . . 5.500 5.527 5.516 5.557 0.057 18 0 "[    .    1    .   ]" 1 
       246 1 13 LEU MD1  1 14 PRO HG3  . . 5.330 5.315 5.299 5.343 0.013 13 0 "[    .    1    .   ]" 1 
       247 1 13 LEU MD2  1 14 PRO HB3  . . 4.640 4.309 4.260 4.356     .  0 0 "[    .    1    .   ]" 1 
       248 1 13 LEU MD2  1 14 PRO HD2  . . 5.110 4.054 4.009 4.116     .  0 0 "[    .    1    .   ]" 1 
       249 1 13 LEU MD2  1 14 PRO HD3  . . 4.700 2.780 2.695 2.898     .  0 0 "[    .    1    .   ]" 1 
       250 1 13 LEU HG   1 14 PRO HB2  . . 4.780 4.681 4.665 4.712     .  0 0 "[    .    1    .   ]" 1 
       251 1 13 LEU HG   1 14 PRO HB3  . . 3.400 3.371 3.354 3.402 0.002 13 0 "[    .    1    .   ]" 1 
       252 1 13 LEU HG   1 14 PRO HD2  . . 4.900 3.412 3.393 3.449     .  0 0 "[    .    1    .   ]" 1 
       253 1 13 LEU HG   1 14 PRO HD3  . . 3.440 2.073 2.049 2.119     .  0 0 "[    .    1    .   ]" 1 
       254 1 14 PRO HB2  1 15 LEU MD2  . . 4.970 4.078 3.849 4.146     .  0 0 "[    .    1    .   ]" 1 
       255 1 14 PRO HD2  1 15 LEU MD2  . . 4.390 3.466 3.343 3.544     .  0 0 "[    .    1    .   ]" 1 
       256 1 14 PRO HD3  1 15 LEU H    . . 5.360 5.273 5.183 5.337     .  0 0 "[    .    1    .   ]" 1 
       257 1 14 PRO HD3  1 15 LEU MD2  . . 4.490 4.526 4.446 4.613 0.123 13 0 "[    .    1    .   ]" 1 
       258 1 15 LEU H    1 15 LEU QB   . . 3.540 2.463 2.347 2.818     .  0 0 "[    .    1    .   ]" 1 
       259 1 15 LEU H    1 15 LEU MD1  . . 4.510 4.382 4.192 4.451     .  0 0 "[    .    1    .   ]" 1 
       260 1 15 LEU H    1 15 LEU MD2  . . 4.310 2.931 2.770 3.461     .  0 0 "[    .    1    .   ]" 1 
       261 1 15 LEU H    1 15 LEU HG   . . 4.430 4.103 2.855 4.429     .  0 0 "[    .    1    .   ]" 1 
       262 1 15 LEU HA   1 15 LEU MD1  . . 3.990 2.719 2.393 3.880     .  0 0 "[    .    1    .   ]" 1 
       263 1 15 LEU HA   1 15 LEU MD2  . . 3.450 2.134 1.985 2.325     .  0 0 "[    .    1    .   ]" 1 
       264 1 15 LEU QB   1 15 LEU MD1  . . 2.400 2.075 2.009 2.108     .  0 0 "[    .    1    .   ]" 1 
       265 1 15 LEU QB   1 15 LEU MD2  . . 2.750 2.397 2.328 2.475     .  0 0 "[    .    1    .   ]" 1 
       266 1 15 LEU QB   1 16 CYS H    . . 4.310 2.228 1.936 2.510     .  0 0 "[    .    1    .   ]" 1 
       267 1 16 CYS H    1 17 PHE H    . . 5.060 4.597 4.462 4.648     .  0 0 "[    .    1    .   ]" 1 
       268 1 16 CYS HA   1 17 PHE QB   . . 5.070 4.479 4.273 4.721     .  0 0 "[    .    1    .   ]" 1 
       269 1 16 CYS QB   1 17 PHE H    . . 3.700 3.152 2.499 3.444     .  0 0 "[    .    1    .   ]" 1 
       270 1 16 CYS QB   1 20 ILE MG   . . 5.340 4.183 3.760 4.499     .  0 0 "[    .    1    .   ]" 1 
       271 1 16 CYS QB   1 21 CYS HB2  . . 4.670 2.107 1.948 2.554     .  0 0 "[    .    1    .   ]" 1 
       272 1 17 PHE H    1 17 PHE QB   . . 2.900 2.276 2.125 2.595     .  0 0 "[    .    1    .   ]" 1 
       273 1 17 PHE H    1 17 PHE QD   . . 3.620 2.967 1.967 3.505     .  0 0 "[    .    1    .   ]" 1 
       274 1 17 PHE H    1 17 PHE QE   . . 5.500 4.749 3.933 5.342     .  0 0 "[    .    1    .   ]" 1 
       275 1 17 PHE H    1 18 LYS H    . . 5.420 4.607 4.558 4.629     .  0 0 "[    .    1    .   ]" 1 
       276 1 17 PHE H    1 20 ILE HB   . . 4.930 2.762 2.381 3.070     .  0 0 "[    .    1    .   ]" 1 
       277 1 17 PHE H    1 20 ILE MG   . . 5.500 3.675 3.392 3.908     .  0 0 "[    .    1    .   ]" 1 
       278 1 17 PHE HA   1 17 PHE QD   . . 4.230 2.432 2.201 3.042     .  0 0 "[    .    1    .   ]" 1 
       279 1 17 PHE HA   1 18 LYS QB   . . 5.340 4.237 4.179 4.268     .  0 0 "[    .    1    .   ]" 1 
       280 1 17 PHE QB   1 18 LYS H    . . 3.710 2.303 2.208 2.534     .  0 0 "[    .    1    .   ]" 1 
       281 1 17 PHE QB   1 18 LYS HA   . . 4.750 4.362 4.310 4.407     .  0 0 "[    .    1    .   ]" 1 
       282 1 17 PHE QB   1 18 LYS QB   . . 5.020 3.815 3.715 4.019     .  0 0 "[    .    1    .   ]" 1 
       283 1 17 PHE QB   1 19 PRO HD2  . . 3.910 2.028 1.955 2.229     .  0 0 "[    .    1    .   ]" 1 
       284 1 17 PHE QB   1 20 ILE H    . . 4.510 2.520 2.362 2.661     .  0 0 "[    .    1    .   ]" 1 
       285 1 17 PHE QB   1 20 ILE HA   . . 5.070 4.264 4.197 4.358     .  0 0 "[    .    1    .   ]" 1 
       286 1 17 PHE QB   1 20 ILE HB   . . 4.200 1.989 1.909 2.158     .  0 0 "[    .    1    .   ]" 1 
       287 1 17 PHE QB   1 20 ILE MD   . . 5.000 3.551 3.478 3.720     .  0 0 "[    .    1    .   ]" 1 
       288 1 17 PHE QB   1 20 ILE HG13 . . 5.030 2.515 2.192 2.893     .  0 0 "[    .    1    .   ]" 1 
       289 1 17 PHE QB   1 20 ILE MG   . . 5.130 3.378 3.151 3.594     .  0 0 "[    .    1    .   ]" 1 
       290 1 17 PHE QD   1 18 LYS H    . . 4.280 3.072 2.519 3.981     .  0 0 "[    .    1    .   ]" 1 
       291 1 17 PHE QD   1 19 PRO HD2  . . 5.500 3.742 3.290 4.316     .  0 0 "[    .    1    .   ]" 1 
       292 1 17 PHE QD   1 20 ILE MD   . . 4.210 3.937 3.638 4.219 0.009 17 0 "[    .    1    .   ]" 1 
       293 1 17 PHE QE   1 20 ILE MD   . . 5.500 5.191 4.633 5.531 0.031  4 0 "[    .    1    .   ]" 1 
       294 1 18 LYS H    1 18 LYS HB2  . . 3.190 2.998 2.973 3.037     .  0 0 "[    .    1    .   ]" 1 
       295 1 18 LYS H    1 18 LYS QB   . . 2.740 2.110 2.107 2.113     .  0 0 "[    .    1    .   ]" 1 
       296 1 18 LYS H    1 18 LYS HB3  . . 3.190 2.156 2.152 2.159     .  0 0 "[    .    1    .   ]" 1 
       297 1 18 LYS H    1 18 LYS QG   . . 4.490 3.748 3.727 3.763     .  0 0 "[    .    1    .   ]" 1 
       298 1 18 LYS H    1 19 PRO HD2  . . 5.500 1.929 1.849 1.986     .  0 0 "[    .    1    .   ]" 1 
       299 1 18 LYS H    1 20 ILE H    . . 5.500 3.901 3.644 4.130     .  0 0 "[    .    1    .   ]" 1 
       300 1 18 LYS HA   1 18 LYS HG2  . . 3.880 3.637 3.621 3.711     .  0 0 "[    .    1    .   ]" 1 
       301 1 18 LYS HA   1 18 LYS QG   . . 3.390 2.765 2.756 2.771     .  0 0 "[    .    1    .   ]" 1 
       302 1 18 LYS HA   1 18 LYS HG3  . . 3.880 2.866 2.843 2.874     .  0 0 "[    .    1    .   ]" 1 
       303 1 18 LYS QB   1 18 LYS QD   . . 3.410 2.106 2.008 2.204     .  0 0 "[    .    1    .   ]" 1 
       304 1 18 LYS QB   1 20 ILE H    . . 5.260 4.609 4.352 4.799     .  0 0 "[    .    1    .   ]" 1 
       305 1 18 LYS QD   1 19 PRO HA   . . 5.160 5.020 4.785 5.153     .  0 0 "[    .    1    .   ]" 1 
       306 1 18 LYS QD   1 19 PRO HD3  . . 4.040 3.358 3.142 3.795     .  0 0 "[    .    1    .   ]" 1 
       307 1 18 LYS QE   1 18 LYS HG2  . . 3.760 2.654 2.204 3.227     .  0 0 "[    .    1    .   ]" 1 
       308 1 18 LYS QE   1 18 LYS QG   . . 3.290 2.211 1.951 2.481     .  0 0 "[    .    1    .   ]" 1 
       309 1 18 LYS QE   1 18 LYS HG3  . . 3.760 2.609 1.983 3.424     .  0 0 "[    .    1    .   ]" 1 
       310 1 18 LYS QE   1 19 PRO HA   . . 5.500 4.852 4.332 5.482     .  0 0 "[    .    1    .   ]" 1 
       311 1 18 LYS QG   1 19 PRO HA   . . 3.710 3.038 3.026 3.087     .  0 0 "[    .    1    .   ]" 1 
       312 1 18 LYS QG   1 19 PRO HD2  . . 5.340 3.286 3.277 3.307     .  0 0 "[    .    1    .   ]" 1 
       313 1 18 LYS HG2  1 19 PRO HA   . . 4.260 3.189 3.163 3.311     .  0 0 "[    .    1    .   ]" 1 
       314 1 18 LYS HG3  1 19 PRO HA   . . 4.260 3.826 3.689 3.857     .  0 0 "[    .    1    .   ]" 1 
       315 1 19 PRO HA   1 22 ILE QG   . . 4.310 2.938 2.293 3.629     .  0 0 "[    .    1    .   ]" 1 
       316 1 19 PRO HB2  1 20 ILE HA   . . 4.540 4.082 3.919 4.341     .  0 0 "[    .    1    .   ]" 1 
       317 1 19 PRO HB3  1 20 ILE MD   . . 5.500 4.669 4.242 5.047     .  0 0 "[    .    1    .   ]" 1 
       318 1 19 PRO HB3  1 22 ILE MD   . . 5.500 4.287 3.528 5.274     .  0 0 "[    .    1    .   ]" 1 
       319 1 19 PRO HD2  1 20 ILE H    . . 3.800 2.739 2.672 2.865     .  0 0 "[    .    1    .   ]" 1 
       320 1 19 PRO HD2  1 20 ILE HB   . . 5.500 4.572 4.482 4.694     .  0 0 "[    .    1    .   ]" 1 
       321 1 19 PRO HD2  1 20 ILE MD   . . 4.930 4.680 4.433 4.902     .  0 0 "[    .    1    .   ]" 1 
       322 1 19 PRO HD2  1 20 ILE HG12 . . 3.970 3.535 3.350 3.642     .  0 0 "[    .    1    .   ]" 1 
       323 1 19 PRO HD3  1 20 ILE H    . . 4.780 3.878 3.842 3.958     .  0 0 "[    .    1    .   ]" 1 
       324 1 19 PRO HD3  1 20 ILE HG12 . . 5.160 4.924 4.759 5.024     .  0 0 "[    .    1    .   ]" 1 
       325 1 19 PRO HG2  1 20 ILE H    . . 3.440 2.318 1.916 3.089     .  0 0 "[    .    1    .   ]" 1 
       326 1 19 PRO HG2  1 20 ILE HB   . . 4.630 4.356 4.221 4.543     .  0 0 "[    .    1    .   ]" 1 
       327 1 19 PRO HG3  1 20 ILE H    . . 5.500 3.843 3.541 4.421     .  0 0 "[    .    1    .   ]" 1 
       328 1 19 PRO HG3  1 20 ILE MD   . . 5.080 4.279 4.035 4.751     .  0 0 "[    .    1    .   ]" 1 
       329 1 20 ILE H    1 20 ILE HB   . . 3.040 2.646 2.514 2.712     .  0 0 "[    .    1    .   ]" 1 
       330 1 20 ILE H    1 20 ILE MD   . . 4.020 3.066 2.702 3.669     .  0 0 "[    .    1    .   ]" 1 
       331 1 20 ILE H    1 20 ILE HG12 . . 3.280 2.109 1.920 2.592     .  0 0 "[    .    1    .   ]" 1 
       332 1 20 ILE H    1 20 ILE HG13 . . 3.920 3.630 3.499 3.921 0.001  6 0 "[    .    1    .   ]" 1 
       333 1 20 ILE H    1 20 ILE MG   . . 4.000 3.786 3.758 3.861     .  0 0 "[    .    1    .   ]" 1 
       334 1 20 ILE H    1 21 CYS H    . . 4.720 3.289 2.103 4.623     .  0 0 "[    .    1    .   ]" 1 
       335 1 20 ILE H    1 22 ILE HG12 . . 5.500 5.266 4.267 5.506 0.006 13 0 "[    .    1    .   ]" 1 
       336 1 20 ILE H    1 22 ILE HG13 . . 5.500 4.868 4.056 5.530 0.030  6 0 "[    .    1    .   ]" 1 
       337 1 20 ILE HA   1 20 ILE MD   . . 3.390 2.088 1.959 2.219     .  0 0 "[    .    1    .   ]" 1 
       338 1 20 ILE HA   1 20 ILE HG12 . . 3.350 3.171 3.004 3.288     .  0 0 "[    .    1    .   ]" 1 
       339 1 20 ILE HA   1 20 ILE HG13 . . 3.790 3.751 3.714 3.804 0.014  7 0 "[    .    1    .   ]" 1 
       340 1 20 ILE HA   1 20 ILE MG   . . 2.900 2.298 2.165 2.381     .  0 0 "[    .    1    .   ]" 1 
       341 1 20 ILE HB   1 21 CYS H    . . 4.330 3.084 1.946 3.692     .  0 0 "[    .    1    .   ]" 1 
       342 1 20 ILE HB   1 21 CYS HB2  . . 4.760 4.056 3.896 4.250     .  0 0 "[    .    1    .   ]" 1 
       343 1 20 ILE HB   1 21 CYS HB3  . . 5.500 5.388 5.214 5.504 0.004  6 0 "[    .    1    .   ]" 1 
       344 1 20 ILE MD   1 20 ILE MG   . . 3.240 1.999 1.926 2.156     .  0 0 "[    .    1    .   ]" 1 
       345 1 20 ILE HG12 1 20 ILE MG   . . 3.400 3.196 3.182 3.202     .  0 0 "[    .    1    .   ]" 1 
       346 1 20 ILE HG12 1 21 CYS H    . . 5.200 4.477 4.010 5.060     .  0 0 "[    .    1    .   ]" 1 
       347 1 20 ILE HG13 1 20 ILE MG   . . 2.730 2.308 2.240 2.361     .  0 0 "[    .    1    .   ]" 1 
       348 1 20 ILE MG   1 21 CYS H    . . 3.970 3.098 1.906 3.852     .  0 0 "[    .    1    .   ]" 1 
       349 1 21 CYS H    1 21 CYS HB2  . . 3.820 3.028 2.568 3.662     .  0 0 "[    .    1    .   ]" 1 
       350 1 21 CYS H    1 21 CYS HB3  . . 4.040 3.893 3.655 4.058 0.018  4 0 "[    .    1    .   ]" 1 
       351 1 21 CYS H    1 22 ILE H    . . 5.140 3.493 2.773 4.313     .  0 0 "[    .    1    .   ]" 1 
       352 1 21 CYS HB2  1 22 ILE H    . . 4.650 4.440 4.236 4.579     .  0 0 "[    .    1    .   ]" 1 
       353 1 21 CYS HB3  1 22 ILE H    . . 4.680 4.072 3.614 4.440     .  0 0 "[    .    1    .   ]" 1 
       354 1 22 ILE H    1 22 ILE HB   . . 3.000 2.604 2.549 2.738     .  0 0 "[    .    1    .   ]" 1 
       355 1 22 ILE H    1 22 ILE MD   . . 3.850 3.781 3.586 3.861 0.011  6 0 "[    .    1    .   ]" 1 
       356 1 22 ILE H    1 22 ILE QG   . . 3.030 2.428 1.960 3.041 0.011  6 0 "[    .    1    .   ]" 1 
       357 1 22 ILE H    1 22 ILE MG   . . 3.970 3.819 3.765 3.859     .  0 0 "[    .    1    .   ]" 1 
       358 1 22 ILE H    1 23 PRO HD2  . . 4.920 4.828 4.787 4.836     .  0 0 "[    .    1    .   ]" 1 
       359 1 22 ILE H    1 23 PRO HD3  . . 4.920 4.801 4.627 4.838     .  0 0 "[    .    1    .   ]" 1 
       360 1 22 ILE HA   1 22 ILE MD   . . 3.910 3.747 1.959 3.884     .  0 0 "[    .    1    .   ]" 1 
       361 1 22 ILE HA   1 22 ILE HG12 . . 3.380 2.609 2.534 2.983     .  0 0 "[    .    1    .   ]" 1 
       362 1 22 ILE HA   1 22 ILE HG13 . . 3.380 3.100 2.937 3.698 0.318  6 0 "[    .    1    .   ]" 1 
       363 1 22 ILE HA   1 22 ILE MG   . . 3.100 2.385 2.300 2.439     .  0 0 "[    .    1    .   ]" 1 
       364 1 22 ILE HA   1 23 PRO HD2  . . 3.070 2.104 2.091 2.109     .  0 0 "[    .    1    .   ]" 1 
       365 1 22 ILE HA   1 23 PRO HD3  . . 3.070 2.259 2.258 2.263     .  0 0 "[    .    1    .   ]" 1 
       366 1 22 ILE HA   1 23 PRO HG2  . . 5.160 4.276 4.266 4.280     .  0 0 "[    .    1    .   ]" 1 
       367 1 22 ILE HA   1 23 PRO QG   . . 4.340 3.834 3.828 3.837     .  0 0 "[    .    1    .   ]" 1 
       368 1 22 ILE HA   1 23 PRO HG3  . . 5.160 4.333 4.330 4.336     .  0 0 "[    .    1    .   ]" 1 
       369 1 22 ILE HA   1 24 THR H    . . 5.500 4.185 3.913 4.249     .  0 0 "[    .    1    .   ]" 1 
       370 1 22 ILE HA   1 25 LEU H    . . 5.500 4.465 4.302 4.835     .  0 0 "[    .    1    .   ]" 1 
       371 1 22 ILE HB   1 24 THR H    . . 5.070 4.413 3.750 4.534     .  0 0 "[    .    1    .   ]" 1 
       372 1 22 ILE HB   1 25 LEU H    . . 3.170 3.022 2.868 3.206 0.036  3 0 "[    .    1    .   ]" 1 
       373 1 22 ILE HB   1 25 LEU HA   . . 4.700 3.225 2.453 4.735 0.035  5 0 "[    .    1    .   ]" 1 
       374 1 22 ILE MD   1 23 PRO QD   . . 4.500 4.193 2.623 4.375     .  0 0 "[    .    1    .   ]" 1 
       375 1 22 ILE QG   1 23 PRO QD   . . 4.680 3.443 3.365 3.909     .  0 0 "[    .    1    .   ]" 1 
       376 1 22 ILE QG   1 25 LEU H    . . 5.340 4.822 4.667 5.130     .  0 0 "[    .    1    .   ]" 1 
       377 1 22 ILE MG   1 23 PRO HA   . . 4.260 4.102 4.023 4.319 0.059  5 0 "[    .    1    .   ]" 1 
       378 1 22 ILE MG   1 23 PRO HB3  . . 4.940 4.719 4.705 4.804     .  0 0 "[    .    1    .   ]" 1 
       379 1 22 ILE MG   1 23 PRO HD2  . . 3.810 1.914 1.897 1.947     .  0 0 "[    .    1    .   ]" 1 
       380 1 22 ILE MG   1 23 PRO QD   . . 3.340 1.902 1.885 1.933     .  0 0 "[    .    1    .   ]" 1 
       381 1 22 ILE MG   1 23 PRO HD3  . . 3.810 3.284 3.258 3.346     .  0 0 "[    .    1    .   ]" 1 
       382 1 22 ILE MG   1 23 PRO QG   . . 4.380 3.044 3.033 3.093     .  0 0 "[    .    1    .   ]" 1 
       383 1 22 ILE MG   1 24 THR H    . . 4.440 2.077 1.903 2.145     .  0 0 "[    .    1    .   ]" 1 
       384 1 22 ILE MG   1 24 THR HB   . . 5.500 3.543 2.466 4.064     .  0 0 "[    .    1    .   ]" 1 
       385 1 22 ILE MG   1 25 LEU H    . . 4.060 2.119 1.915 3.238     .  0 0 "[    .    1    .   ]" 1 
       386 1 23 PRO HA   1 25 LEU H    . . 4.110 3.919 3.695 4.033     .  0 0 "[    .    1    .   ]" 1 
       387 1 23 PRO HB2  1 24 THR H    . . 3.980 3.004 2.932 3.319     .  0 0 "[    .    1    .   ]" 1 
       388 1 23 PRO HB2  1 24 THR HA   . . 4.510 4.005 3.952 4.160     .  0 0 "[    .    1    .   ]" 1 
       389 1 23 PRO HB2  1 25 LEU H    . . 4.900 4.877 4.780 4.939 0.039  5 0 "[    .    1    .   ]" 1 
       390 1 23 PRO HB3  1 24 THR H    . . 4.190 3.950 3.908 4.131     .  0 0 "[    .    1    .   ]" 1 
       391 1 23 PRO HB3  1 24 THR HA   . . 5.500 5.516 5.492 5.584 0.084 15 0 "[    .    1    .   ]" 1 
       392 1 23 PRO HB3  1 25 LEU H    . . 5.500 5.486 5.376 5.534 0.034  3 0 "[    .    1    .   ]" 1 
       393 1 23 PRO QD   1 24 THR H    . . 4.330 2.663 2.601 2.685     .  0 0 "[    .    1    .   ]" 1 
       394 1 23 PRO QD   1 25 LEU H    . . 4.550 4.011 3.822 4.438     .  0 0 "[    .    1    .   ]" 1 
       395 1 23 PRO QG   1 24 THR H    . . 4.160 2.006 1.939 2.332     .  0 0 "[    .    1    .   ]" 1 
       396 1 23 PRO HG2  1 24 THR H    . . 4.930 2.016 1.947 2.351     .  0 0 "[    .    1    .   ]" 1 
       397 1 23 PRO HG3  1 24 THR H    . . 4.930 3.617 3.565 3.867     .  0 0 "[    .    1    .   ]" 1 
       398 1 24 THR H    1 24 THR HB   . . 3.760 3.219 2.406 3.620     .  0 0 "[    .    1    .   ]" 1 
       399 1 24 THR H    1 24 THR MG   . . 3.820 2.846 2.178 3.805     .  0 0 "[    .    1    .   ]" 1 
       400 1 24 THR H    1 25 LEU H    . . 3.130 2.623 2.524 2.741     .  0 0 "[    .    1    .   ]" 1 
       401 1 24 THR H    1 25 LEU QB   . . 5.340 4.876 4.459 5.087     .  0 0 "[    .    1    .   ]" 1 
       402 1 24 THR HA   1 24 THR MG   . . 3.100 2.347 2.052 3.194 0.094  5 0 "[    .    1    .   ]" 1 
       403 1 24 THR HA   1 25 LEU H    . . 3.530 3.373 3.002 3.465     .  0 0 "[    .    1    .   ]" 1 
       404 1 24 THR HB   1 25 LEU H    . . 4.250 3.808 2.991 4.313 0.063 15 0 "[    .    1    .   ]" 1 
       405 1 24 THR MG   1 25 LEU H    . . 4.320 3.922 2.167 4.393 0.073 15 0 "[    .    1    .   ]" 1 
       406 1 25 LEU H    1 25 LEU QB   . . 3.270 2.886 2.099 3.199     .  0 0 "[    .    1    .   ]" 1 
       407 1 25 LEU H    1 25 LEU HG   . . 3.880 3.380 2.179 4.208 0.328 14 0 "[    .    1    .   ]" 1 
       408 1 25 LEU H    1 26 PRO HD2  . . 5.500 4.696 4.619 4.775     .  0 0 "[    .    1    .   ]" 1 
       409 1 25 LEU H    1 26 PRO HD3  . . 5.500 4.642 4.357 5.087     .  0 0 "[    .    1    .   ]" 1 
       410 1 25 LEU HA   1 25 LEU QD   . . 3.800 2.591 1.947 3.395     .  0 0 "[    .    1    .   ]" 1 
       411 1 25 LEU HA   1 26 PRO HD2  . . 3.590 2.487 2.392 2.514     .  0 0 "[    .    1    .   ]" 1 
       412 1 25 LEU HA   1 26 PRO HD3  . . 3.590 2.338 2.297 2.351     .  0 0 "[    .    1    .   ]" 1 
       413 1 25 LEU QB   1 25 LEU QD   . . 2.390 1.838 1.721 2.016     .  0 0 "[    .    1    .   ]" 1 
       414 1 25 LEU QB   1 26 PRO QD   . . 3.160 2.050 1.926 2.240     .  0 0 "[    .    1    .   ]" 1 
       415 1 25 LEU QD   1 26 PRO HD2  . . 4.070 2.061 1.907 3.110     .  0 0 "[    .    1    .   ]" 1 
       416 1 25 LEU QD   1 26 PRO HD3  . . 4.070 3.078 2.538 4.165 0.095 15 0 "[    .    1    .   ]" 1 
       417 1 26 PRO HA   1 27 PRO QD   . . 3.180 2.139 1.859 2.175     .  0 0 "[    .    1    .   ]" 1 
       418 1 26 PRO QB   1 27 PRO QD   . . 3.230 2.141 1.997 3.269 0.039 18 0 "[    .    1    .   ]" 1 
       419 1 27 PRO HA   1 28 LEU H    . . 3.030 2.559 2.440 2.689     .  0 0 "[    .    1    .   ]" 1 
       420 1 27 PRO HA   1 28 LEU QB   . . 5.340 4.247 3.884 4.528     .  0 0 "[    .    1    .   ]" 1 
       421 1 27 PRO HB2  1 28 LEU H    . . 3.810 2.245 1.970 2.517     .  0 0 "[    .    1    .   ]" 1 
       422 1 27 PRO HB2  1 28 LEU HA   . . 5.160 4.242 4.092 4.413     .  0 0 "[    .    1    .   ]" 1 
       423 1 27 PRO HB2  1 28 LEU QB   . . 4.650 4.065 3.184 4.735 0.085  7 0 "[    .    1    .   ]" 1 
       424 1 27 PRO HB2  1 29 THR H    . . 5.030 3.373 2.236 4.974     .  0 0 "[    .    1    .   ]" 1 
       425 1 27 PRO HB3  1 28 LEU H    . . 4.600 3.282 3.170 3.406     .  0 0 "[    .    1    .   ]" 1 
       426 1 27 PRO QG   1 28 LEU H    . . 4.720 3.893 3.661 4.100     .  0 0 "[    .    1    .   ]" 1 
       427 1 28 LEU H    1 28 LEU QB   . . 3.050 2.669 2.254 3.124 0.074 15 0 "[    .    1    .   ]" 1 
       428 1 28 LEU H    1 28 LEU QD   . . 5.170 3.343 1.688 4.071     .  0 0 "[    .    1    .   ]" 1 
       429 1 28 LEU H    1 28 LEU HG   . . 4.820 3.938 2.299 4.826 0.006 17 0 "[    .    1    .   ]" 1 
       430 1 28 LEU H    1 29 THR H    . . 3.600 2.561 1.903 3.317     .  0 0 "[    .    1    .   ]" 1 
       431 1 28 LEU H    1 29 THR HA   . . 5.500 4.820 4.299 5.335     .  0 0 "[    .    1    .   ]" 1 
       432 1 28 LEU H    1 29 THR HB   . . 5.500 4.913 4.183 5.475     .  0 0 "[    .    1    .   ]" 1 
       433 1 28 LEU HA   1 28 LEU QD   . . 3.710 2.432 1.966 3.377     .  0 0 "[    .    1    .   ]" 1 
       434 1 28 LEU HA   1 29 THR H    . . 3.560 3.019 2.561 3.551     .  0 0 "[    .    1    .   ]" 1 
       435 1 28 LEU HA   1 31 GLY H    . . 5.500 3.849 2.930 5.412     .  0 0 "[    .    1    .   ]" 1 
       436 1 28 LEU QB   1 28 LEU QD   . . 2.540 1.896 1.780 2.016     .  0 0 "[    .    1    .   ]" 1 
       437 1 28 LEU QB   1 29 THR H    . . 4.070 3.595 2.494 3.998     .  0 0 "[    .    1    .   ]" 1 
       438 1 28 LEU QB   1 30 GLY H    . . 5.340 4.775 2.756 5.338     .  0 0 "[    .    1    .   ]" 1 
       439 1 28 LEU HB2  1 28 LEU QD   . . 3.000 2.141 1.982 2.390     .  0 0 "[    .    1    .   ]" 1 
       440 1 28 LEU HB2  1 29 THR H    . . 4.860 4.120 2.580 4.609     .  0 0 "[    .    1    .   ]" 1 
       441 1 28 LEU HB3  1 28 LEU QD   . . 3.000 2.136 1.964 2.381     .  0 0 "[    .    1    .   ]" 1 
       442 1 28 LEU HB3  1 29 THR H    . . 4.860 4.031 2.723 4.629     .  0 0 "[    .    1    .   ]" 1 
       443 1 28 LEU QD   1 29 THR H    . . 5.500 3.929 2.737 4.413     .  0 0 "[    .    1    .   ]" 1 
       444 1 28 LEU QD   1 31 GLY H    . . 4.520 3.853 2.185 4.525 0.005 13 0 "[    .    1    .   ]" 1 
       445 1 29 THR H    1 29 THR HB   . . 4.000 2.891 2.516 3.750     .  0 0 "[    .    1    .   ]" 1 
       446 1 29 THR H    1 29 THR MG   . . 3.980 3.081 1.935 3.888     .  0 0 "[    .    1    .   ]" 1 
       447 1 29 THR H    1 30 GLY H    . . 3.620 2.643 1.941 3.612     .  0 0 "[    .    1    .   ]" 1 
       448 1 29 THR HA   1 29 THR MG   . . 3.330 2.553 2.053 3.206     .  0 0 "[    .    1    .   ]" 1 
       449 1 29 THR HA   1 31 GLY H    . . 5.500 3.911 3.547 4.790     .  0 0 "[    .    1    .   ]" 1 
       450 1 29 THR HA   1 32 HIS H    . . 5.150 4.459 3.604 5.118     .  0 0 "[    .    1    .   ]" 1 
       451 1 29 THR HB   1 31 GLY H    . . 5.500 5.301 4.740 5.502 0.002  8 0 "[    .    1    .   ]" 1 
       452 1 29 THR MG   1 30 GLY H    . . 5.500 3.311 1.952 4.288     .  0 0 "[    .    1    .   ]" 1 
       453 1 30 GLY H    1 31 GLY QA   . . 5.040 4.301 3.857 4.680     .  0 0 "[    .    1    .   ]" 1 
       454 1 30 GLY QA   1 31 GLY H    . . 3.030 2.842 2.671 2.877     .  0 0 "[    .    1    .   ]" 1 
       455 1 31 GLY H    1 32 HIS H    . . 4.110 2.612 2.024 3.412     .  0 0 "[    .    1    .   ]" 1 
       456 1 32 HIS H    1 32 HIS QB   . . 3.640 2.471 2.142 2.962     .  0 0 "[    .    1    .   ]" 1 
       457 1 32 HIS H    1 33 ALA H    . . 5.500 3.702 1.984 4.577     .  0 0 "[    .    1    .   ]" 1 
    stop_

save_



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