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
617128 5x37 36053 cing 4-filtered-FRED Wattos check violation distance


data_5x37


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              734
    _Distance_constraint_stats_list.Viol_count                    310
    _Distance_constraint_stats_list.Viol_total                    113.971
    _Distance_constraint_stats_list.Viol_max                      0.103
    _Distance_constraint_stats_list.Viol_rms                      0.0039
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0004
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0184
    _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 THR 0.037 0.017 11 0 "[    .    1    .    2]" 
       1  2 GLN 1.025 0.103  6 0 "[    .    1    .    2]" 
       1  3 SER 0.279 0.086 15 0 "[    .    1    .    2]" 
       1  4 HIS 0.078 0.021 10 0 "[    .    1    .    2]" 
       1  5 TYR 0.214 0.035 13 0 "[    .    1    .    2]" 
       1  6 GLY 0.076 0.039 17 0 "[    .    1    .    2]" 
       1  7 GLN 0.603 0.103  6 0 "[    .    1    .    2]" 
       1  8 CYS 0.236 0.043 19 0 "[    .    1    .    2]" 
       1  9 GLY 0.293 0.036 19 0 "[    .    1    .    2]" 
       1 10 GLY 0.070 0.031 12 0 "[    .    1    .    2]" 
       1 11 ILE 0.080 0.027 18 0 "[    .    1    .    2]" 
       1 12 GLY 0.155 0.031 12 0 "[    .    1    .    2]" 
       1 13 TYR 0.355 0.041  3 0 "[    .    1    .    2]" 
       1 14 SER 0.092 0.041 13 0 "[    .    1    .    2]" 
       1 15 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 16 PRO 0.054 0.018 10 0 "[    .    1    .    2]" 
       1 17 THR 0.316 0.043 19 0 "[    .    1    .    2]" 
       1 18 VAL 0.017 0.017 11 0 "[    .    1    .    2]" 
       1 19 CYS 0.286 0.039 16 0 "[    .    1    .    2]" 
       1 20 ALA 0.051 0.028  7 0 "[    .    1    .    2]" 
       1 21 SER 0.033 0.028  7 0 "[    .    1    .    2]" 
       1 22 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 23 THR 0.229 0.039 16 0 "[    .    1    .    2]" 
       1 24 THR 0.454 0.039  6 0 "[    .    1    .    2]" 
       1 25 CYS 0.030 0.015 17 0 "[    .    1    .    2]" 
       1 26 GLN 0.162 0.037  3 0 "[    .    1    .    2]" 
       1 27 VAL 0.259 0.037  3 0 "[    .    1    .    2]" 
       1 28 LEU 1.114 0.103  6 0 "[    .    1    .    2]" 
       1 29 ASN 0.504 0.103  6 0 "[    .    1    .    2]" 
       1 30 PRO 0.088 0.009  5 0 "[    .    1    .    2]" 
       1 31 TYR 0.002 0.002  8 0 "[    .    1    .    2]" 
       1 32 TYR 0.615 0.041  3 0 "[    .    1    .    2]" 
       1 33 SER 0.144 0.032 20 0 "[    .    1    .    2]" 
       1 34 GLN 0.384 0.039 17 0 "[    .    1    .    2]" 
       1 35 CYS 2.132 0.088 10 0 "[    .    1    .    2]" 
       1 36 LEU 0.181 0.035 13 0 "[    .    1    .    2]" 
       2  1 MAN 0.131 0.041 13 0 "[    .    1    .    2]" 
    stop_

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

         1 1  1 THR HA   1  1 THR HB   2.650 . 3.500 2.841 2.522 3.040     .  0 0 "[    .    1    .    2]" 1 
         2 1  1 THR HA   1  1 THR MG   2.650 . 2.800 2.285 2.182 2.338     .  0 0 "[    .    1    .    2]" 1 
         3 1  1 THR HA   1  2 GLN H    3.150 . 4.500 2.308 2.117 2.511     .  0 0 "[    .    1    .    2]" 1 
         4 1  1 THR HA   1  2 GLN HB2  3.650 . 5.500 3.717 3.188 4.126     .  0 0 "[    .    1    .    2]" 1 
         5 1  1 THR HA   1 19 CYS H    3.650 . 5.500 3.735 3.615 3.833     .  0 0 "[    .    1    .    2]" 1 
         6 1  1 THR HA   1 17 THR H    4.150 . 6.500 5.686 5.173 6.505 0.005  9 0 "[    .    1    .    2]" 1 
         7 1  1 THR HA   1 18 VAL HB   3.650 . 4.500 3.328 2.917 4.002     .  0 0 "[    .    1    .    2]" 1 
         8 1  1 THR HA   1 18 VAL MG1  3.150 . 4.500 3.749 3.238 4.478     .  0 0 "[    .    1    .    2]" 1 
         9 1  1 THR HA   1 19 CYS HA   3.650 . 5.500 4.390 3.760 5.158     .  0 0 "[    .    1    .    2]" 1 
        10 1  1 THR HB   1  2 GLN H    3.150 . 4.500 3.457 2.349 4.289     .  0 0 "[    .    1    .    2]" 1 
        11 1  1 THR HB   1 18 VAL HB   2.650 . 3.500 3.019 2.969 3.037     .  0 0 "[    .    1    .    2]" 1 
        12 1  1 THR HB   1 19 CYS HB2  3.650 . 5.500 4.216 4.034 4.324     .  0 0 "[    .    1    .    2]" 1 
        13 1  1 THR HB   1 20 ALA MB   3.150 . 4.500 3.775 2.942 4.515 0.015 18 0 "[    .    1    .    2]" 1 
        14 1  1 THR MG   1  2 GLN H    3.650 . 5.500 3.023 2.237 3.707     .  0 0 "[    .    1    .    2]" 1 
        15 1  1 THR MG   1  3 SER HA   3.150 . 4.500 3.934 3.528 4.203     .  0 0 "[    .    1    .    2]" 1 
        16 1  1 THR MG   1 18 VAL HB   3.150 . 4.500 3.361 2.549 4.517 0.017 11 0 "[    .    1    .    2]" 1 
        17 1  1 THR MG   1 18 VAL MG1  2.650 . 3.500 2.554 2.111 3.415     .  0 0 "[    .    1    .    2]" 1 
        18 1  1 THR MG   1 20 ALA H    3.650 . 5.500 3.562 2.737 4.664     .  0 0 "[    .    1    .    2]" 1 
        19 1  1 THR MG   1 20 ALA HA   2.650 . 3.500 2.307 1.855 3.087     .  0 0 "[    .    1    .    2]" 1 
        20 1  1 THR MG   1 21 SER H    3.650 . 5.500 3.654 3.077 4.158     .  0 0 "[    .    1    .    2]" 1 
        21 1  2 GLN H    1  2 GLN HB2  3.150 . 4.500 2.380 2.164 2.791     .  0 0 "[    .    1    .    2]" 1 
        22 1  2 GLN H    1  2 GLN HB3  3.650 . 4.500 2.797 2.631 3.087     .  0 0 "[    .    1    .    2]" 1 
        23 1  2 GLN HA   1  2 GLN HB2  2.300 . 2.800 2.215 2.108 2.288     .  0 0 "[    .    1    .    2]" 1 
        24 1  2 GLN HA   1  2 GLN HE21 3.150 . 4.500 3.307 3.104 3.405     .  0 0 "[    .    1    .    2]" 1 
        25 1  2 GLN HA   1  2 GLN HE22 3.650 . 5.500 4.320 3.958 4.532     .  0 0 "[    .    1    .    2]" 1 
        26 1  2 GLN HA   1  3 SER H    2.650 . 3.500 2.236 2.136 2.392     .  0 0 "[    .    1    .    2]" 1 
        27 1  2 GLN QB   1  2 GLN HG3  2.650 . 3.500 2.190 2.157 2.340     .  0 0 "[    .    1    .    2]" 1 
        28 1  2 GLN QB   1 20 ALA H    3.650 . 5.500 4.146 3.768 4.765     .  0 0 "[    .    1    .    2]" 1 
        29 1  2 GLN HB2  1  2 GLN HE21 2.650 . 3.500 2.877 2.055 3.281     .  0 0 "[    .    1    .    2]" 1 
        30 1  2 GLN HB2  1  2 GLN HE22 3.650 . 5.500 3.807 3.007 4.599     .  0 0 "[    .    1    .    2]" 1 
        31 1  2 GLN HB2  1  2 GLN HG2  2.650 . 3.500 2.566 2.415 3.020     .  0 0 "[    .    1    .    2]" 1 
        32 1  2 GLN HB2  1  8 CYS HA   3.150 . 4.500 3.171 2.769 3.727     .  0 0 "[    .    1    .    2]" 1 
        33 1  2 GLN HB2  1  8 CYS HA   3.150 . 4.500 3.256 2.779 3.975     .  0 0 "[    .    1    .    2]" 1 
        34 1  2 GLN HB2  1  8 CYS HB3  3.650 . 5.500 4.501 3.760 5.466     .  0 0 "[    .    1    .    2]" 1 
        35 1  2 GLN HB2  1 16 PRO HD2  3.650 . 4.500 2.990 2.802 3.140     .  0 0 "[    .    1    .    2]" 1 
        36 1  2 GLN HB2  1 16 PRO HG2  2.300 . 2.800 2.284 2.236 2.328     .  0 0 "[    .    1    .    2]" 1 
        37 1  2 GLN HB2  1 19 CYS HA   3.150 . 4.500 3.567 2.878 4.267     .  0 0 "[    .    1    .    2]" 1 
        38 1  2 GLN HB3  1  2 GLN HE21 2.300 . 2.800 1.956 1.773 2.325 0.027  5 0 "[    .    1    .    2]" 1 
        39 1  2 GLN HB3  1  2 GLN HE21 2.650 . 3.500 1.965 1.753 2.600 0.047  4 0 "[    .    1    .    2]" 1 
        40 1  2 GLN HB3  1  2 GLN HE22 3.650 . 5.500 3.249 2.744 3.488     .  0 0 "[    .    1    .    2]" 1 
        41 1  2 GLN HB3  1  2 GLN HG2  2.300 . 2.800 2.239 2.125 2.270     .  0 0 "[    .    1    .    2]" 1 
        42 1  2 GLN HB3  1  3 SER H    3.150 . 4.500 3.669 3.409 3.871     .  0 0 "[    .    1    .    2]" 1 
        43 1  2 GLN HB3  1  8 CYS HA   3.150 . 4.500 3.133 2.728 3.468     .  0 0 "[    .    1    .    2]" 1 
        44 1  2 GLN HB3  1  8 CYS HB3  3.650 . 5.500 3.663 2.979 4.812     .  0 0 "[    .    1    .    2]" 1 
        45 1  2 GLN HB3  1 19 CYS HA   3.150 . 3.500 2.685 2.252 3.061     .  0 0 "[    .    1    .    2]" 1 
        46 1  2 GLN HB3  1 35 CYS H    3.150 . 4.500 3.973 3.826 4.099     .  0 0 "[    .    1    .    2]" 1 
        47 1  2 GLN HE21 1  2 GLN HG2  2.650 . 3.500 3.266 2.817 3.372     .  0 0 "[    .    1    .    2]" 1 
        48 1  2 GLN HE21 1  2 GLN HG3  3.150 . 4.500 2.740 2.196 3.507     .  0 0 "[    .    1    .    2]" 1 
        49 1  2 GLN HE21 1  3 SER HB2  3.650 . 5.500 3.805 3.660 3.946     .  0 0 "[    .    1    .    2]" 1 
        50 1  2 GLN HE21 1  6 GLY HA3  2.650 . 3.500 2.710 2.546 2.909     .  0 0 "[    .    1    .    2]" 1 
        51 1  2 GLN HE21 1  8 CYS H    2.650 . 3.500 3.037 2.852 3.131     .  0 0 "[    .    1    .    2]" 1 
        52 1  2 GLN HE21 1  8 CYS HA   3.150 . 4.500 2.917 2.311 3.685     .  0 0 "[    .    1    .    2]" 1 
        53 1  2 GLN HE21 1  8 CYS HB3  3.150 . 4.500 2.605 2.304 3.077     .  0 0 "[    .    1    .    2]" 1 
        54 1  2 GLN HE21 1  8 CYS HB3  3.150 . 4.500 2.896 2.401 3.487     .  0 0 "[    .    1    .    2]" 1 
        55 1  2 GLN HE21 1 19 CYS HB3  3.150 . 4.500 3.489 3.390 3.560     .  0 0 "[    .    1    .    2]" 1 
        56 1  2 GLN HE22 1  2 GLN HG3  3.650 . 5.500 3.683 3.436 4.011     .  0 0 "[    .    1    .    2]" 1 
        57 1  2 GLN HE22 1  3 SER HB2  4.150 . 6.500 4.528 3.507 6.586 0.086 15 0 "[    .    1    .    2]" 1 
        58 1  2 GLN HE22 1  6 GLY HA3  3.650 . 5.500 2.376 1.798 4.429 0.002  1 0 "[    .    1    .    2]" 1 
        59 1  2 GLN HE22 1  7 GLN HB2  3.650 . 5.500 4.256 3.860 4.374     .  0 0 "[    .    1    .    2]" 1 
        60 1  2 GLN HE22 1  7 GLN HB3  4.150 . 6.500 5.526 4.056 6.409     .  0 0 "[    .    1    .    2]" 1 
        61 1  2 GLN HE22 1  7 GLN HG2  3.650 . 5.500 4.386 3.026 5.603 0.103  6 0 "[    .    1    .    2]" 1 
        62 1  2 GLN HE22 1 19 CYS HB3  4.150 . 6.500 5.793 5.177 6.539 0.039 16 0 "[    .    1    .    2]" 1 
        63 1  2 GLN HE22 1 35 CYS HB2  3.650 . 5.500 3.788 3.001 5.555 0.055 16 0 "[    .    1    .    2]" 1 
        64 1  2 GLN HG2  1  3 SER H    3.650 . 5.500 3.204 1.797 3.737 0.003 16 0 "[    .    1    .    2]" 1 
        65 1  2 GLN HG2  1  3 SER HB2  3.650 . 5.500 3.835 2.941 4.045     .  0 0 "[    .    1    .    2]" 1 
        66 1  2 GLN HG2  1  6 GLY HA3  3.650 . 5.500 4.767 2.774 5.499     .  0 0 "[    .    1    .    2]" 1 
        67 1  2 GLN HG2  1  6 GLY HA3  3.150 . 4.500 3.633 2.701 4.247     .  0 0 "[    .    1    .    2]" 1 
        68 1  2 GLN HG2  1  8 CYS HA   3.650 . 5.500 3.847 3.446 4.441     .  0 0 "[    .    1    .    2]" 1 
        69 1  2 GLN HG2  1 35 CYS HB2  3.650 . 5.500 4.789 4.249 4.928     .  0 0 "[    .    1    .    2]" 1 
        70 1  2 GLN HG3  1  3 SER H    3.150 . 4.500 4.143 2.626 4.526 0.026  5 0 "[    .    1    .    2]" 1 
        71 1  2 GLN HG3  1  6 GLY HA2  4.150 . 6.500 6.231 5.303 6.516 0.016  6 0 "[    .    1    .    2]" 1 
        72 1  2 GLN HG3  1  6 GLY HA3  3.650 . 5.500 4.838 3.854 5.125     .  0 0 "[    .    1    .    2]" 1 
        73 1  2 GLN HG3  1  8 CYS HA   3.650 . 5.500 2.715 1.958 5.526 0.026 15 0 "[    .    1    .    2]" 1 
        74 1  2 GLN HG3  1 16 PRO HD2  3.150 . 4.500 4.202 3.468 4.518 0.018 10 0 "[    .    1    .    2]" 1 
        75 1  3 SER H    1  3 SER QB   2.650 . 3.500 2.455 2.285 2.826     .  0 0 "[    .    1    .    2]" 1 
        76 1  3 SER H    1  3 SER HB2  3.150 . 4.500 2.385 2.121 2.500     .  0 0 "[    .    1    .    2]" 1 
        77 1  3 SER H    1  3 SER HB3  3.150 . 4.500 2.491 2.207 2.806     .  0 0 "[    .    1    .    2]" 1 
        78 1  3 SER HA   1  3 SER HB2  2.650 . 3.500 2.936 2.555 3.021     .  0 0 "[    .    1    .    2]" 1 
        79 1  3 SER HA   1  3 SER HB3  2.300 . 2.800 2.397 2.302 2.443     .  0 0 "[    .    1    .    2]" 1 
        80 1  3 SER HA   1  3 SER HB3  2.650 . 3.500 2.321 2.214 2.409     .  0 0 "[    .    1    .    2]" 1 
        81 1  3 SER HA   1  4 HIS H    2.650 . 3.500 2.343 2.229 2.526     .  0 0 "[    .    1    .    2]" 1 
        82 1  3 SER HA   1 20 ALA MB       . . 2.800 2.406 2.158 2.709     .  0 0 "[    .    1    .    2]" 1 
        83 1  3 SER HA   1 20 ALA MB   2.650 . 3.500 3.023 2.493 3.508 0.008  2 0 "[    .    1    .    2]" 1 
        84 1  3 SER QB   1  4 HIS H    2.650 . 3.500 2.425 2.118 2.727     .  0 0 "[    .    1    .    2]" 1 
        85 1  4 HIS H    1  4 HIS HA   2.650 . 3.500 2.831 2.794 2.893     .  0 0 "[    .    1    .    2]" 1 
        86 1  4 HIS H    1  4 HIS HB2  2.650 . 3.500 2.377 2.264 2.545     .  0 0 "[    .    1    .    2]" 1 
        87 1  4 HIS H    1  4 HIS HB3  2.650 . 3.500 2.559 2.470 2.685     .  0 0 "[    .    1    .    2]" 1 
        88 1  4 HIS H    1  5 TYR H    3.650 . 5.500 4.559 4.495 4.598     .  0 0 "[    .    1    .    2]" 1 
        89 1  4 HIS H    1 20 ALA MB   3.650 . 4.500 3.763 3.362 4.241     .  0 0 "[    .    1    .    2]" 1 
        90 1  4 HIS H    1 23 THR MG   3.650 . 5.500 3.694 3.062 4.046     .  0 0 "[    .    1    .    2]" 1 
        91 1  4 HIS HA   1  4 HIS HB2  2.650 . 3.500 2.551 2.493 2.599     .  0 0 "[    .    1    .    2]" 1 
        92 1  4 HIS HA   1  4 HIS HB2  2.300 . 2.800 2.468 2.410 2.524     .  0 0 "[    .    1    .    2]" 1 
        93 1  4 HIS HA   1  4 HIS HB3  2.300 . 2.800 2.439 2.376 2.521     .  0 0 "[    .    1    .    2]" 1 
        94 1  4 HIS HA   1  4 HIS HD2  2.650 . 3.500 2.483 2.284 2.811     .  0 0 "[    .    1    .    2]" 1 
        95 1  4 HIS HA   1  4 HIS HD2  2.650 . 2.800 2.280 2.116 2.533     .  0 0 "[    .    1    .    2]" 1 
        96 1  4 HIS HA   1  5 TYR H    2.300 . 2.800 1.959 1.928 1.991     .  0 0 "[    .    1    .    2]" 1 
        97 1  4 HIS HA   1 35 CYS H    3.150 . 4.500 3.692 3.562 3.894     .  0 0 "[    .    1    .    2]" 1 
        98 1  4 HIS HA   1 35 CYS H    3.150 . 4.500 3.826 3.649 4.084     .  0 0 "[    .    1    .    2]" 1 
        99 1  4 HIS HA   1 23 THR MG   3.150 . 3.500 2.759 2.541 2.987     .  0 0 "[    .    1    .    2]" 1 
       100 1  4 HIS HA   1 35 CYS HB2  2.650 . 3.500 2.465 2.236 2.766     .  0 0 "[    .    1    .    2]" 1 
       101 1  4 HIS HA   1 35 CYS HB3  2.650 . 3.500 3.295 3.107 3.454     .  0 0 "[    .    1    .    2]" 1 
       102 1  4 HIS HB2  1  4 HIS HD2  3.150 . 4.500 3.454 3.102 3.776     .  0 0 "[    .    1    .    2]" 1 
       103 1  4 HIS HB2  1  4 HIS HD2  3.150 . 4.500 3.267 3.028 3.579     .  0 0 "[    .    1    .    2]" 1 
       104 1  4 HIS HB2  1  5 TYR H    3.650 . 5.500 4.318 4.250 4.413     .  0 0 "[    .    1    .    2]" 1 
       105 1  4 HIS HB2  1  5 TYR QE   3.650 . 5.500 4.314 4.263 4.384     .  0 0 "[    .    1    .    2]" 1 
       106 1  4 HIS HB2  1 23 THR MG   3.150 . 3.500 2.159 1.947 2.391     .  0 0 "[    .    1    .    2]" 1 
       107 1  4 HIS HB3  1  4 HIS HD2  3.150 . 4.500 3.870 3.663 3.977     .  0 0 "[    .    1    .    2]" 1 
       108 1  4 HIS HB3  1  4 HIS HE1  3.650 . 5.500 4.545 4.467 4.660     .  0 0 "[    .    1    .    2]" 1 
       109 1  4 HIS HB3  1  5 TYR H    3.150 . 4.500 3.657 3.606 3.714     .  0 0 "[    .    1    .    2]" 1 
       110 1  4 HIS HB3  1  5 TYR QE   3.650 . 4.500 4.098 3.884 4.288     .  0 0 "[    .    1    .    2]" 1 
       111 1  4 HIS HB3  1  6 GLY H    3.650 . 5.500 4.141 4.030 4.233     .  0 0 "[    .    1    .    2]" 1 
       112 1  4 HIS HB3  1 23 THR MG   3.650 . 4.500 3.616 3.503 3.795     .  0 0 "[    .    1    .    2]" 1 
       113 1  4 HIS HB3  1 23 THR MG   3.150 . 4.500 3.390 3.272 3.498     .  0 0 "[    .    1    .    2]" 1 
       114 1  4 HIS HD2  1  4 HIS HE1  3.650 . 5.500 3.750 3.185 4.048     .  0 0 "[    .    1    .    2]" 1 
       115 1  4 HIS HD2  1  5 TYR H    2.650 . 3.500 2.548 2.035 3.336     .  0 0 "[    .    1    .    2]" 1 
       116 1  4 HIS HD2  1  5 TYR HB2  3.650 . 5.500 5.179 4.401 5.521 0.021 10 0 "[    .    1    .    2]" 1 
       117 1  4 HIS HD2  1  6 GLY H    3.650 . 5.500 4.399 4.209 4.606     .  0 0 "[    .    1    .    2]" 1 
       118 1  4 HIS HD2  1 36 LEU QB   3.150 . 4.500 4.245 4.029 4.455     .  0 0 "[    .    1    .    2]" 1 
       119 1  4 HIS HD2  1 36 LEU MD2  2.650 . 3.500 2.870 2.470 3.213     .  0 0 "[    .    1    .    2]" 1 
       120 1  4 HIS HD2  1 36 LEU HG   3.650 . 5.500 4.615 4.323 4.908     .  0 0 "[    .    1    .    2]" 1 
       121 1  4 HIS HD2  1 20 ALA MB   3.650 . 5.500 4.768 4.574 5.032     .  0 0 "[    .    1    .    2]" 1 
       122 1  4 HIS HD2  1 23 THR HB   3.650 . 5.500 3.100 2.740 3.571     .  0 0 "[    .    1    .    2]" 1 
       123 1  4 HIS HD2  1 23 THR MG   3.150 . 3.500 2.721 2.277 3.117     .  0 0 "[    .    1    .    2]" 1 
       124 1  4 HIS HD2  1 34 GLN QG   3.650 . 5.500 4.559 4.112 5.066     .  0 0 "[    .    1    .    2]" 1 
       125 1  4 HIS HD2  1 35 CYS HB2  3.650 . 5.500 3.812 3.353 4.466     .  0 0 "[    .    1    .    2]" 1 
       126 1  4 HIS HD2  1 36 LEU HA   2.650 . 3.500 2.344 2.038 2.736     .  0 0 "[    .    1    .    2]" 1 
       127 1  4 HIS HD2  1 36 LEU QB   3.650 . 5.500 4.412 4.139 4.759     .  0 0 "[    .    1    .    2]" 1 
       128 1  4 HIS HD2  1 36 LEU MD2  3.150 . 4.500 3.420 2.995 3.872     .  0 0 "[    .    1    .    2]" 1 
       129 1  4 HIS HE1  1  5 TYR QE   3.650 . 5.500 3.077 2.507 3.958     .  0 0 "[    .    1    .    2]" 1 
       130 1  4 HIS HE1  1 23 THR MG   3.650 . 5.500 4.242 3.458 5.382     .  0 0 "[    .    1    .    2]" 1 
       131 1  4 HIS HE1  1 36 LEU HA   3.650 . 5.500 4.580 4.418 4.830     .  0 0 "[    .    1    .    2]" 1 
       132 1  4 HIS HE1  1 36 LEU MD2  3.650 . 5.500 4.334 3.988 4.566     .  0 0 "[    .    1    .    2]" 1 
       133 1  5 TYR H    1  5 TYR HB2  3.650 . 5.500 3.576 3.429 3.686     .  0 0 "[    .    1    .    2]" 1 
       134 1  5 TYR H    1  5 TYR QD   3.150 . 4.500 3.613 2.774 3.911     .  0 0 "[    .    1    .    2]" 1 
       135 1  5 TYR H    1  6 GLY H    3.150 . 4.500 2.626 2.496 2.791     .  0 0 "[    .    1    .    2]" 1 
       136 1  5 TYR H    1 23 THR MG   3.650 . 5.500 4.318 4.083 4.498     .  0 0 "[    .    1    .    2]" 1 
       137 1  5 TYR H    1 34 GLN QG   3.650 . 5.500 3.064 2.815 3.240     .  0 0 "[    .    1    .    2]" 1 
       138 1  5 TYR H    1 35 CYS HB2  3.150 . 4.500 2.823 2.555 3.036     .  0 0 "[    .    1    .    2]" 1 
       139 1  5 TYR H    1 35 CYS HB3  3.150 . 4.500 4.118 3.852 4.360     .  0 0 "[    .    1    .    2]" 1 
       140 1  5 TYR H    1 36 LEU MD2  3.650 . 5.500 3.562 3.193 3.952     .  0 0 "[    .    1    .    2]" 1 
       141 1  5 TYR HA   1  5 TYR HB2  2.650 . 3.500 3.007 2.953 3.024     .  0 0 "[    .    1    .    2]" 1 
       142 1  5 TYR HA   1  5 TYR QD   2.650 . 3.500 2.698 2.429 2.999     .  0 0 "[    .    1    .    2]" 1 
       143 1  5 TYR HA   1  5 TYR QE   3.650 . 5.500 4.477 4.385 4.637     .  0 0 "[    .    1    .    2]" 1 
       144 1  5 TYR HA   1  5 TYR QE   3.650 . 5.500 4.006 3.703 4.321     .  0 0 "[    .    1    .    2]" 1 
       145 1  5 TYR HA   1  5 TYR QE   3.650 . 5.500 4.276 4.167 4.388     .  0 0 "[    .    1    .    2]" 1 
       146 1  5 TYR HA   1  6 GLY H    3.150 . 4.500 2.930 2.359 3.169     .  0 0 "[    .    1    .    2]" 1 
       147 1  5 TYR HA   1  6 GLY H    2.300 . 2.800 2.587 2.254 2.694     .  0 0 "[    .    1    .    2]" 1 
       148 1  5 TYR HA   1 34 GLN HE21 3.150 . 4.500 2.982 2.552 3.341     .  0 0 "[    .    1    .    2]" 1 
       149 1  5 TYR HA   1 34 GLN HE21 3.650 . 5.500 3.107 2.587 3.520     .  0 0 "[    .    1    .    2]" 1 
       150 1  5 TYR HA   1 34 GLN HE22 3.150 . 4.500 3.551 3.253 3.846     .  0 0 "[    .    1    .    2]" 1 
       151 1  5 TYR HA   1 34 GLN QG   2.650 . 3.500 2.171 1.953 2.443     .  0 0 "[    .    1    .    2]" 1 
       152 1  5 TYR HB2  1  5 TYR QD   2.300 . 2.800 2.352 2.255 2.590     .  0 0 "[    .    1    .    2]" 1 
       153 1  5 TYR HB2  1  6 GLY H    3.650 . 5.500 4.074 3.766 4.581     .  0 0 "[    .    1    .    2]" 1 
       154 1  5 TYR HB2  1 34 GLN HE21 3.650 . 5.500 5.129 4.579 5.533 0.033 12 0 "[    .    1    .    2]" 1 
       155 1  5 TYR HB2  1 34 GLN HE22 3.650 . 5.500 5.200 4.860 5.501 0.001  1 0 "[    .    1    .    2]" 1 
       156 1  5 TYR HB3  1  5 TYR QD   2.300 . 2.800 2.472 2.267 2.605     .  0 0 "[    .    1    .    2]" 1 
       157 1  5 TYR HB3  1 34 GLN HE21 3.150 . 4.500 3.787 3.156 4.503 0.003 13 0 "[    .    1    .    2]" 1 
       158 1  5 TYR HB3  1 34 GLN HE22 3.150 . 4.500 3.610 3.149 4.188     .  0 0 "[    .    1    .    2]" 1 
       159 1  5 TYR QD   1 34 GLN HE21 3.150 . 4.500 3.593 2.391 4.419     .  0 0 "[    .    1    .    2]" 1 
       160 1  5 TYR QD   1 34 GLN QG   3.650 . 4.500 3.671 3.161 4.104     .  0 0 "[    .    1    .    2]" 1 
       161 1  5 TYR QD   1 36 LEU HA   3.650 . 5.500 4.815 3.880 5.355     .  0 0 "[    .    1    .    2]" 1 
       162 1  5 TYR QD   1 36 LEU MD2  2.650 . 3.500 3.116 2.553 3.535 0.035 13 0 "[    .    1    .    2]" 1 
       163 1  5 TYR QE   1 34 GLN QG   3.650 . 5.500 4.189 3.951 4.415     .  0 0 "[    .    1    .    2]" 1 
       164 1  5 TYR QE   1 36 LEU MD2  3.150 . 3.500 2.827 2.347 3.277     .  0 0 "[    .    1    .    2]" 1 
       165 1  6 GLY H    1  6 GLY HA3  2.300 . 2.800 2.440 2.352 2.658     .  0 0 "[    .    1    .    2]" 1 
       166 1  6 GLY H    1 35 CYS H    3.150 . 4.500 3.144 2.586 3.458     .  0 0 "[    .    1    .    2]" 1 
       167 1  6 GLY H    1 35 CYS HB2  3.150 . 4.500 3.073 2.721 3.486     .  0 0 "[    .    1    .    2]" 1 
       168 1  6 GLY H    1 35 CYS HB3  3.650 . 5.500 4.799 4.455 5.129     .  0 0 "[    .    1    .    2]" 1 
       169 1  6 GLY HA2  1  7 GLN H    2.300 . 2.800 2.385 2.268 2.504     .  0 0 "[    .    1    .    2]" 1 
       170 1  6 GLY HA2  1 34 GLN QG   3.150 . 4.500 3.383 3.141 3.541     .  0 0 "[    .    1    .    2]" 1 
       171 1  6 GLY HA2  1 34 GLN HB2  3.650 . 5.500 5.348 4.979 5.539 0.039 17 0 "[    .    1    .    2]" 1 
       172 1  7 GLN H    1  7 GLN HB2  2.300 . 2.800 2.513 2.400 2.627     .  0 0 "[    .    1    .    2]" 1 
       173 1  7 GLN H    1  7 GLN HB2  2.300 . 2.800 2.492 2.385 2.603     .  0 0 "[    .    1    .    2]" 1 
       174 1  7 GLN H    1  7 GLN HB3  2.650 . 3.500 2.485 2.429 2.562     .  0 0 "[    .    1    .    2]" 1 
       175 1  7 GLN H    1 32 TYR QE   3.650 . 5.500 4.237 3.385 5.081     .  0 0 "[    .    1    .    2]" 1 
       176 1  7 GLN HA   1  8 CYS HB3  3.150 . 4.500 3.720 3.612 3.843     .  0 0 "[    .    1    .    2]" 1 
       177 1  7 GLN HA   1 13 TYR QD   3.150 . 4.500 2.098 1.865 2.324     .  0 0 "[    .    1    .    2]" 1 
       178 1  7 GLN HA   1  7 GLN HB2  2.650 . 2.800 2.464 2.434 2.495     .  0 0 "[    .    1    .    2]" 1 
       179 1  7 GLN HA   1  7 GLN HE21 3.150 . 4.500 4.188 3.650 4.503 0.003 10 0 "[    .    1    .    2]" 1 
       180 1  7 GLN HA   1  7 GLN HG2  2.650 . 3.500 3.189 3.097 3.296     .  0 0 "[    .    1    .    2]" 1 
       181 1  7 GLN HA   1  7 GLN HG2  3.150 . 4.500 2.975 2.757 3.141     .  0 0 "[    .    1    .    2]" 1 
       182 1  7 GLN HA   1  7 GLN HG3  2.650 . 3.500 2.610 2.542 2.668     .  0 0 "[    .    1    .    2]" 1 
       183 1  7 GLN HA   1  8 CYS H    2.300 . 2.800 2.087 2.059 2.126     .  0 0 "[    .    1    .    2]" 1 
       184 1  7 GLN HA   1  9 GLY H    3.150 . 4.500 3.489 3.327 3.690     .  0 0 "[    .    1    .    2]" 1 
       185 1  7 GLN HA   1 33 SER H    3.150 . 4.500 3.605 3.338 3.796     .  0 0 "[    .    1    .    2]" 1 
       186 1  7 GLN HA   1 13 TYR QE   4.150 . 6.500 5.664 5.334 5.964     .  0 0 "[    .    1    .    2]" 1 
       187 1  7 GLN HA   1 32 TYR QE   3.150 . 4.500 4.050 3.575 4.517 0.017 15 0 "[    .    1    .    2]" 1 
       188 1  7 GLN HA   1 34 GLN QG   3.150 . 4.500 3.852 3.275 4.286     .  0 0 "[    .    1    .    2]" 1 
       189 1  7 GLN HA   1 35 CYS H    3.150 . 4.500 3.932 3.642 4.274     .  0 0 "[    .    1    .    2]" 1 
       190 1  7 GLN HB2  1  7 GLN HG2  2.650 . 3.500 3.009 2.986 3.020     .  0 0 "[    .    1    .    2]" 1 
       191 1  7 GLN HB2  1  7 GLN HG3  2.300 . 2.800 2.198 2.160 2.228     .  0 0 "[    .    1    .    2]" 1 
       192 1  7 GLN HB2  1  8 CYS H    3.650 . 5.500 4.306 4.208 4.364     .  0 0 "[    .    1    .    2]" 1 
       193 1  7 GLN HB2  1  8 CYS H    3.650 . 5.500 3.955 3.791 4.053     .  0 0 "[    .    1    .    2]" 1 
       194 1  7 GLN HB2  1  9 GLY H    4.150 . 6.500 5.367 4.726 5.599     .  0 0 "[    .    1    .    2]" 1 
       195 1  7 GLN HB2  1 13 TYR QE   3.650 . 5.500 4.551 4.104 4.991     .  0 0 "[    .    1    .    2]" 1 
       196 1  7 GLN HB2  1 32 TYR QD   3.150 . 4.500 3.477 2.957 3.941     .  0 0 "[    .    1    .    2]" 1 
       197 1  7 GLN HB2  1 32 TYR QE   2.650 . 3.500 2.553 2.034 3.398     .  0 0 "[    .    1    .    2]" 1 
       198 1  7 GLN HB3  1  7 GLN HE21 3.650 . 5.500 4.487 4.116 4.553     .  0 0 "[    .    1    .    2]" 1 
       199 1  7 GLN HB3  1  7 GLN HG3  2.650 . 3.500 3.022 3.012 3.037     .  0 0 "[    .    1    .    2]" 1 
       200 1  7 GLN HB3  1  8 CYS H    3.650 . 5.500 4.289 4.211 4.367     .  0 0 "[    .    1    .    2]" 1 
       201 1  7 GLN HB3  1  9 GLY H    3.650 . 5.500 5.059 4.096 5.394     .  0 0 "[    .    1    .    2]" 1 
       202 1  7 GLN HB3  1 13 TYR QE   3.150 . 4.500 3.361 2.734 4.049     .  0 0 "[    .    1    .    2]" 1 
       203 1  7 GLN HB3  1 32 TYR QE   3.650 . 5.500 4.123 3.530 5.081     .  0 0 "[    .    1    .    2]" 1 
       204 1  7 GLN HE21 1  7 GLN HG2  2.650 . 3.500 2.919 2.269 3.050     .  0 0 "[    .    1    .    2]" 1 
       205 1  7 GLN HE21 1  7 GLN HG3  2.650 . 3.500 2.388 2.299 2.880     .  0 0 "[    .    1    .    2]" 1 
       206 1  7 GLN HE21 1  8 CYS H    3.650 . 5.500 4.065 3.744 4.271     .  0 0 "[    .    1    .    2]" 1 
       207 1  7 GLN HE21 1  9 GLY H    3.650 . 5.500 4.675 4.328 4.919     .  0 0 "[    .    1    .    2]" 1 
       208 1  7 GLN HE21 1 10 GLY HA3  3.650 . 5.500 2.921 2.017 3.608     .  0 0 "[    .    1    .    2]" 1 
       209 1  7 GLN HE21 1 13 TYR HB2  3.150 . 4.500 3.207 1.809 3.734     .  0 0 "[    .    1    .    2]" 1 
       210 1  7 GLN HE21 1 13 TYR HB2  3.150 . 4.500 3.125 1.809 3.523     .  0 0 "[    .    1    .    2]" 1 
       211 1  7 GLN HE21 1 13 TYR HB3  3.650 . 4.500 3.895 2.807 4.335     .  0 0 "[    .    1    .    2]" 1 
       212 1  7 GLN HE21 1 13 TYR QD   2.650 . 3.500 3.353 2.930 3.541 0.041  3 0 "[    .    1    .    2]" 1 
       213 1  7 GLN HE21 1 32 TYR HA   3.150 . 4.500 2.481 2.042 3.776     .  0 0 "[    .    1    .    2]" 1 
       214 1  7 GLN HE21 1 33 SER H    3.150 . 4.500 2.820 2.476 3.655     .  0 0 "[    .    1    .    2]" 1 
       215 1  7 GLN HE22 1 10 GLY HA2  3.650 . 5.500 4.881 4.337 5.531 0.031 12 0 "[    .    1    .    2]" 1 
       216 1  7 GLN HE22 1 10 GLY HA3  3.650 . 5.500 4.191 3.381 4.895     .  0 0 "[    .    1    .    2]" 1 
       217 1  7 GLN HE22 1 13 TYR HB2  2.650 . 3.500 3.035 2.499 3.284     .  0 0 "[    .    1    .    2]" 1 
       218 1  7 GLN HE22 1 13 TYR HB3  3.150 . 4.500 4.330 3.806 4.540 0.040 20 0 "[    .    1    .    2]" 1 
       219 1  7 GLN HE22 1 32 TYR HA   3.150 . 4.500 3.409 3.037 3.794     .  0 0 "[    .    1    .    2]" 1 
       220 1  7 GLN HG2  1  8 CYS H    3.150 . 4.500 3.487 3.277 3.712     .  0 0 "[    .    1    .    2]" 1 
       221 1  7 GLN HG2  1  9 GLY H    2.650 . 3.500 3.084 2.114 3.391     .  0 0 "[    .    1    .    2]" 1 
       222 1  7 GLN HG2  1 13 TYR HB2  3.650 . 5.500 3.272 2.760 4.069     .  0 0 "[    .    1    .    2]" 1 
       223 1  7 GLN HG2  1 13 TYR QE   3.650 . 5.500 4.060 3.568 4.407     .  0 0 "[    .    1    .    2]" 1 
       224 1  7 GLN HG2  1 33 SER H    3.150 . 4.500 3.263 2.593 3.663     .  0 0 "[    .    1    .    2]" 1 
       225 1  7 GLN HG3  1  8 CYS H    3.150 . 4.500 3.421 3.139 3.633     .  0 0 "[    .    1    .    2]" 1 
       226 1  7 GLN HG3  1  9 GLY H    2.650 . 3.500 3.477 3.116 3.536 0.036 19 0 "[    .    1    .    2]" 1 
       227 1  7 GLN HG3  1 32 TYR HA   2.300 . 2.800 2.402 2.334 2.486     .  0 0 "[    .    1    .    2]" 1 
       228 1  7 GLN HG3  1 32 TYR QD   3.150 . 4.500 3.567 3.083 3.868     .  0 0 "[    .    1    .    2]" 1 
       229 1  7 GLN HG3  1 32 TYR QE   3.150 . 4.500 4.109 3.776 4.478     .  0 0 "[    .    1    .    2]" 1 
       230 1  7 GLN HG3  1 33 SER H    3.150 . 4.500 2.223 2.013 2.353     .  0 0 "[    .    1    .    2]" 1 
       231 1  8 CYS H    1  8 CYS HB2  3.650 . 5.500 3.570 3.491 3.625     .  0 0 "[    .    1    .    2]" 1 
       232 1  8 CYS H    1  8 CYS HB3  2.650 . 3.500 2.543 2.456 2.662     .  0 0 "[    .    1    .    2]" 1 
       233 1  8 CYS H    1  8 CYS HB3  3.150 . 4.500 2.324 2.252 2.380     .  0 0 "[    .    1    .    2]" 1 
       234 1  8 CYS H    1  8 CYS HB3  2.300 . 2.800 2.483 2.372 2.593     .  0 0 "[    .    1    .    2]" 1 
       235 1  8 CYS H    1  8 CYS HB3  2.650 . 3.500 2.413 2.338 2.475     .  0 0 "[    .    1    .    2]" 1 
       236 1  8 CYS H    1  9 GLY H    2.300 . 2.800 2.504 2.380 2.630     .  0 0 "[    .    1    .    2]" 1 
       237 1  8 CYS H    1  9 GLY HA3  3.650 . 5.500 3.783 3.373 3.950     .  0 0 "[    .    1    .    2]" 1 
       238 1  8 CYS H    1  9 GLY HA3  3.650 . 5.500 4.253 4.054 4.517     .  0 0 "[    .    1    .    2]" 1 
       239 1  8 CYS H    1 13 TYR QD   3.150 . 4.500 4.147 4.082 4.207     .  0 0 "[    .    1    .    2]" 1 
       240 1  8 CYS H    1 13 TYR QD   3.150 . 4.500 3.748 3.713 3.772     .  0 0 "[    .    1    .    2]" 1 
       241 1  8 CYS H    1 17 THR HA   3.650 . 5.500 4.767 4.625 4.916     .  0 0 "[    .    1    .    2]" 1 
       242 1  8 CYS H    1 33 SER HB3  3.650 . 5.500 3.983 3.318 4.521     .  0 0 "[    .    1    .    2]" 1 
       243 1  8 CYS H    1 33 SER H    3.150 . 4.500 3.782 3.637 3.924     .  0 0 "[    .    1    .    2]" 1 
       244 1  8 CYS H    1 34 GLN HA   3.650 . 5.500 2.561 2.089 2.844     .  0 0 "[    .    1    .    2]" 1 
       245 1  8 CYS HA   1  8 CYS HB2      . . 2.800 2.526 2.456 2.581     .  0 0 "[    .    1    .    2]" 1 
       246 1  8 CYS HA   1  8 CYS HB3      . . 2.800 2.342 2.302 2.378     .  0 0 "[    .    1    .    2]" 1 
       247 1  8 CYS HA   1  9 GLY H    3.150 . 4.500 3.512 3.205 3.568     .  0 0 "[    .    1    .    2]" 1 
       248 1  8 CYS HA   1 13 TYR QD   3.650 . 5.500 3.979 3.627 4.228     .  0 0 "[    .    1    .    2]" 1 
       249 1  8 CYS HA   1 13 TYR QE   3.150 . 4.500 3.939 3.592 4.304     .  0 0 "[    .    1    .    2]" 1 
       250 1  8 CYS HA   1 17 THR HA   3.150 . 3.500 3.368 3.184 3.542 0.042 18 0 "[    .    1    .    2]" 1 
       251 1  8 CYS HA   1 17 THR MG   3.650 . 4.500 4.444 4.232 4.543 0.043 19 0 "[    .    1    .    2]" 1 
       252 1  8 CYS HA   1 19 CYS HA   3.650 . 5.500 4.034 3.960 4.083     .  0 0 "[    .    1    .    2]" 1 
       253 1  8 CYS HB2  1 17 THR HA   3.150 . 4.500 3.122 2.809 3.532     .  0 0 "[    .    1    .    2]" 1 
       254 1  8 CYS HB2  1 17 THR HB   3.650 . 4.500 3.633 3.386 3.839     .  0 0 "[    .    1    .    2]" 1 
       255 1  8 CYS HB2  1 25 CYS HB2  3.150 . 4.500 2.694 2.420 3.031     .  0 0 "[    .    1    .    2]" 1 
       256 1  8 CYS HB2  1 35 CYS HA   3.650 . 5.500 5.131 4.834 5.479     .  0 0 "[    .    1    .    2]" 1 
       257 1  8 CYS HB3  1 13 TYR QE   3.650 . 5.500 4.314 4.285 4.353     .  0 0 "[    .    1    .    2]" 1 
       258 1  8 CYS HB3  1 17 THR HA   3.150 . 4.500 4.256 4.010 4.507 0.007 17 0 "[    .    1    .    2]" 1 
       259 1  8 CYS HB3  1 25 CYS HB2  2.650 . 3.500 3.240 2.989 3.504 0.004  5 0 "[    .    1    .    2]" 1 
       260 1  8 CYS HB3  1 26 GLN H    3.150 . 4.500 3.809 3.748 3.878     .  0 0 "[    .    1    .    2]" 1 
       261 1  8 CYS HB3  1 35 CYS H    3.650 . 5.500 3.497 3.202 3.900     .  0 0 "[    .    1    .    2]" 1 
       262 1  9 GLY H    1  9 GLY HA2  2.650 . 3.500 2.733 2.482 2.821     .  0 0 "[    .    1    .    2]" 1 
       263 1  9 GLY H    1  9 GLY HA3  2.650 . 3.500 2.840 2.760 2.945     .  0 0 "[    .    1    .    2]" 1 
       264 1  9 GLY H    1 10 GLY H    3.650 . 5.500 3.083 2.670 3.449     .  0 0 "[    .    1    .    2]" 1 
       265 1  9 GLY H    1 10 GLY H    3.650 . 5.500 2.969 2.626 3.238     .  0 0 "[    .    1    .    2]" 1 
       266 1  9 GLY H    1 13 TYR QD   3.150 . 4.500 4.277 3.717 4.522 0.022  9 0 "[    .    1    .    2]" 1 
       267 1  9 GLY H    1 17 THR HB   3.650 . 5.500 4.780 4.517 4.974     .  0 0 "[    .    1    .    2]" 1 
       268 1  9 GLY H    1 33 SER HB3  3.150 . 4.500 3.281 3.156 3.519     .  0 0 "[    .    1    .    2]" 1 
       269 1  9 GLY H    1 33 SER HB2  2.650 . 2.800 2.244 1.960 2.832 0.032 20 0 "[    .    1    .    2]" 1 
       270 1  9 GLY H    1 33 SER HB3  3.650 . 5.500 3.641 3.374 4.421     .  0 0 "[    .    1    .    2]" 1 
       271 1  9 GLY HA2  1 10 GLY H    2.300 . 2.800 2.210 2.065 2.401     .  0 0 "[    .    1    .    2]" 1 
       272 1  9 GLY HA2  1 13 TYR HB2  3.150 . 4.500 3.796 3.384 4.472     .  0 0 "[    .    1    .    2]" 1 
       273 1  9 GLY HA2  1 13 TYR HB2  3.650 . 4.500 3.541 3.255 3.988     .  0 0 "[    .    1    .    2]" 1 
       274 1  9 GLY HA2  1 13 TYR QD   2.650 . 3.500 2.102 1.866 2.330     .  0 0 "[    .    1    .    2]" 1 
       275 1  9 GLY HA2  1 17 THR MG   3.150 . 4.500 3.091 2.531 3.593     .  0 0 "[    .    1    .    2]" 1 
       276 1  9 GLY HA3  1 10 GLY H    2.650 . 3.500 3.426 3.319 3.497     .  0 0 "[    .    1    .    2]" 1 
       277 1  9 GLY HA3  1 33 SER HB2  2.650 . 3.500 3.247 3.080 3.418     .  0 0 "[    .    1    .    2]" 1 
       278 1  9 GLY HA3  1 33 SER HB2  2.650 . 3.500 3.352 3.149 3.526 0.026 17 0 "[    .    1    .    2]" 1 
       279 1  9 GLY HA3  1 13 TYR QD   3.150 . 4.500 3.269 2.599 3.766     .  0 0 "[    .    1    .    2]" 1 
       280 1  9 GLY HA3  1 17 THR MG   2.650 . 3.500 2.217 1.893 2.639     .  0 0 "[    .    1    .    2]" 1 
       281 1 10 GLY H    1 10 GLY HA3  2.300 . 2.800 2.414 2.379 2.427     .  0 0 "[    .    1    .    2]" 1 
       282 1 10 GLY H    1 13 TYR HB3  2.650 . 3.500 2.001 1.819 2.274     .  0 0 "[    .    1    .    2]" 1 
       283 1 10 GLY H    1 13 TYR QD   3.150 . 4.500 3.570 3.092 3.827     .  0 0 "[    .    1    .    2]" 1 
       284 1 10 GLY HA2  1 11 ILE H    2.650 . 3.500 2.635 2.447 2.906     .  0 0 "[    .    1    .    2]" 1 
       285 1 10 GLY HA2  1 27 VAL MG2  3.150 . 3.500 3.374 3.177 3.510 0.010 18 0 "[    .    1    .    2]" 1 
       286 1 10 GLY HA2  1 13 TYR HB3  3.150 . 4.500 4.246 4.114 4.324     .  0 0 "[    .    1    .    2]" 1 
       287 1 10 GLY HA2  1 33 SER H    3.650 . 5.500 4.051 3.661 4.496     .  0 0 "[    .    1    .    2]" 1 
       288 1 10 GLY HA3  1 11 ILE H    2.300 . 2.800 2.532 2.321 2.660     .  0 0 "[    .    1    .    2]" 1 
       289 1 10 GLY HA3  1 11 ILE H    2.300 . 2.800 2.357 2.223 2.427     .  0 0 "[    .    1    .    2]" 1 
       290 1 10 GLY HA3  1 31 TYR QD   3.650 . 5.500 4.260 4.028 4.633     .  0 0 "[    .    1    .    2]" 1 
       291 1 10 GLY HA3  1 11 ILE HB   3.150 . 4.500 3.862 3.571 4.170     .  0 0 "[    .    1    .    2]" 1 
       292 1 10 GLY HA3  1 32 TYR H    3.650 . 5.500 4.568 4.263 4.977     .  0 0 "[    .    1    .    2]" 1 
       293 1 10 GLY HA3  1 33 SER H    3.150 . 4.500 3.250 2.666 3.731     .  0 0 "[    .    1    .    2]" 1 
       294 1 11 ILE H    1 11 ILE HB   2.650 . 3.500 2.585 2.506 2.669     .  0 0 "[    .    1    .    2]" 1 
       295 1 11 ILE H    1 11 ILE MD   3.150 . 4.500 3.562 3.503 3.623     .  0 0 "[    .    1    .    2]" 1 
       296 1 11 ILE H    1 11 ILE HG12 3.150 . 4.500 3.317 3.161 3.435     .  0 0 "[    .    1    .    2]" 1 
       297 1 11 ILE H    1 11 ILE HG12 2.650 . 3.500 3.030 2.912 3.148     .  0 0 "[    .    1    .    2]" 1 
       298 1 11 ILE H    1 11 ILE HG13 2.650 . 3.500 2.055 1.905 2.178     .  0 0 "[    .    1    .    2]" 1 
       299 1 11 ILE H    1 11 ILE MG   3.150 . 4.500 3.779 3.756 3.791     .  0 0 "[    .    1    .    2]" 1 
       300 1 11 ILE H    1 13 TYR HB3  3.650 . 5.500 4.629 4.534 4.741     .  0 0 "[    .    1    .    2]" 1 
       301 1 11 ILE H    1 31 TYR HA   2.300 . 2.800 2.129 1.891 2.496     .  0 0 "[    .    1    .    2]" 1 
       302 1 11 ILE H    1 31 TYR HB3  3.650 . 5.500 4.048 3.853 4.363     .  0 0 "[    .    1    .    2]" 1 
       303 1 11 ILE H    1 31 TYR QD   3.650 . 5.500 4.069 3.613 4.518     .  0 0 "[    .    1    .    2]" 1 
       304 1 11 ILE HA   1 11 ILE HG12 3.150 . 3.500 2.592 2.534 2.657     .  0 0 "[    .    1    .    2]" 1 
       305 1 11 ILE HA   1 11 ILE HG13 3.150 . 3.500 3.064 3.014 3.131     .  0 0 "[    .    1    .    2]" 1 
       306 1 11 ILE HA   1 11 ILE MG   2.650 . 2.800 2.400 2.352 2.449     .  0 0 "[    .    1    .    2]" 1 
       307 1 11 ILE HA   1 12 GLY H    2.300 . 2.800 2.139 2.085 2.175     .  0 0 "[    .    1    .    2]" 1 
       308 1 11 ILE HA   1 12 GLY H    2.300 . 2.800 1.999 1.970 2.022     .  0 0 "[    .    1    .    2]" 1 
       309 1 11 ILE HA   1 13 TYR H    2.650 . 3.500 3.066 2.979 3.148     .  0 0 "[    .    1    .    2]" 1 
       310 1 11 ILE HA   1 13 TYR H    3.150 . 4.500 3.464 3.304 3.574     .  0 0 "[    .    1    .    2]" 1 
       311 1 11 ILE HB   1 11 ILE MD   2.300 . 2.800 2.433 2.407 2.453     .  0 0 "[    .    1    .    2]" 1 
       312 1 11 ILE HB   1 11 ILE MD   2.300 . 2.800 2.315 2.207 2.405     .  0 0 "[    .    1    .    2]" 1 
       313 1 11 ILE HB   1 11 ILE HG13 2.650 . 3.500 2.484 2.463 2.504     .  0 0 "[    .    1    .    2]" 1 
       314 1 11 ILE HB   1 11 ILE MG   2.300 . 2.800 2.138 2.128 2.143     .  0 0 "[    .    1    .    2]" 1 
       315 1 11 ILE HB   1 31 TYR HA   3.150 . 4.500 2.567 2.213 2.907     .  0 0 "[    .    1    .    2]" 1 
       316 1 11 ILE HB   1 31 TYR QD   2.650 . 3.500 2.309 1.988 3.274     .  0 0 "[    .    1    .    2]" 1 
       317 1 11 ILE HB   1 31 TYR QE   3.150 . 4.500 3.394 2.843 3.910     .  0 0 "[    .    1    .    2]" 1 
       318 1 11 ILE MD   1 11 ILE HG13 2.300 . 2.800 2.123 2.117 2.127     .  0 0 "[    .    1    .    2]" 1 
       319 1 11 ILE MD   1 11 ILE MG   2.300 . 2.800 1.956 1.924 1.973     .  0 0 "[    .    1    .    2]" 1 
       320 1 11 ILE MD   1 12 GLY H    3.150 . 4.500 4.448 4.185 4.527 0.027 18 0 "[    .    1    .    2]" 1 
       321 1 11 ILE MD   1 27 VAL MG1  3.650 . 5.500 4.976 4.514 5.386     .  0 0 "[    .    1    .    2]" 1 
       322 1 11 ILE MD   1 30 PRO HA   3.150 . 4.500 3.836 3.369 4.285     .  0 0 "[    .    1    .    2]" 1 
       323 1 11 ILE MD   1 30 PRO HB3  3.150 . 4.500 3.147 2.390 4.157     .  0 0 "[    .    1    .    2]" 1 
       324 1 11 ILE MD   1 31 TYR HA   3.150 . 4.500 3.678 3.155 4.320     .  0 0 "[    .    1    .    2]" 1 
       325 1 11 ILE MD   1 31 TYR QD   3.650 . 5.500 3.810 3.491 4.126     .  0 0 "[    .    1    .    2]" 1 
       326 1 11 ILE MD   1 31 TYR QE   3.150 . 4.500 3.716 3.348 4.104     .  0 0 "[    .    1    .    2]" 1 
       327 1 11 ILE HG12 1 12 GLY H    3.150 . 4.500 3.605 3.494 3.690     .  0 0 "[    .    1    .    2]" 1 
       328 1 11 ILE HG13 1 31 TYR HA   3.150 . 4.500 3.269 2.850 3.759     .  0 0 "[    .    1    .    2]" 1 
       329 1 11 ILE HG13 1 31 TYR QD   3.650 . 5.500 4.569 4.221 5.078     .  0 0 "[    .    1    .    2]" 1 
       330 1 11 ILE MG   1 12 GLY H    2.650 . 3.500 2.853 2.651 2.999     .  0 0 "[    .    1    .    2]" 1 
       331 1 11 ILE MG   1 12 GLY H    2.650 . 3.500 2.792 2.616 2.920     .  0 0 "[    .    1    .    2]" 1 
       332 1 11 ILE MG   1 12 GLY HA2  3.150 . 4.500 3.652 3.562 3.734     .  0 0 "[    .    1    .    2]" 1 
       333 1 11 ILE MG   1 31 TYR QE   3.150 . 3.500 2.510 2.376 2.666     .  0 0 "[    .    1    .    2]" 1 
       334 1 11 ILE MG   1 31 TYR HA   3.150 . 4.500 4.168 3.869 4.484     .  0 0 "[    .    1    .    2]" 1 
       335 1 11 ILE MG   1 31 TYR QD   3.150 . 4.500 2.730 2.232 3.358     .  0 0 "[    .    1    .    2]" 1 
       336 1 11 ILE MG   1 31 TYR QE   2.650 . 3.500 2.625 2.457 3.032     .  0 0 "[    .    1    .    2]" 1 
       337 1 12 GLY H    1 12 GLY HA2  2.650 . 3.500 2.401 2.346 2.452     .  0 0 "[    .    1    .    2]" 1 
       338 1 12 GLY H    1 12 GLY HA3  2.650 . 3.500 2.937 2.915 2.950     .  0 0 "[    .    1    .    2]" 1 
       339 1 12 GLY H    1 13 TYR H    2.650 . 3.500 2.448 2.276 2.694     .  0 0 "[    .    1    .    2]" 1 
       340 1 12 GLY H    1 13 TYR HB2  3.150 . 4.500 3.897 3.816 3.966     .  0 0 "[    .    1    .    2]" 1 
       341 1 12 GLY H    1 13 TYR HB3  3.650 . 5.500 4.096 3.997 4.228     .  0 0 "[    .    1    .    2]" 1 
       342 1 12 GLY H    1 13 TYR HB3  3.650 . 5.500 3.388 3.258 3.447     .  0 0 "[    .    1    .    2]" 1 
       343 1 12 GLY H    1 13 TYR HB3  3.650 . 4.500 3.520 3.362 3.599     .  0 0 "[    .    1    .    2]" 1 
       344 1 12 GLY H    1 14 SER HA   3.150 . 4.500 4.422 4.268 4.502 0.002 19 0 "[    .    1    .    2]" 1 
       345 1 12 GLY H    2  1 MAN H5   2.650 . 3.500 3.105 2.828 3.362     .  0 0 "[    .    1    .    2]" 1 
       346 1 12 GLY HA2  1 13 TYR H    3.150 . 4.500 3.393 3.289 3.484     .  0 0 "[    .    1    .    2]" 1 
       347 1 12 GLY HA2  2  1 MAN H4   2.650 . 3.500 2.467 2.116 2.906     .  0 0 "[    .    1    .    2]" 1 
       348 1 12 GLY HA3  2  1 MAN H3   3.650 . 5.500 4.626 3.784 5.522 0.022 16 0 "[    .    1    .    2]" 1 
       349 1 13 TYR H    1 13 TYR HA   2.650 . 3.500 2.917 2.875 2.942     .  0 0 "[    .    1    .    2]" 1 
       350 1 13 TYR H    1 13 TYR HB3  2.300 . 2.800 2.573 2.475 2.727     .  0 0 "[    .    1    .    2]" 1 
       351 1 13 TYR H    1 13 TYR HB3  2.300 . 2.800 2.428 2.339 2.517     .  0 0 "[    .    1    .    2]" 1 
       352 1 13 TYR HA   1 13 TYR HB2  2.650 . 3.500 2.484 2.431 2.525     .  0 0 "[    .    1    .    2]" 1 
       353 1 13 TYR HA   1 13 TYR HB2  2.300 . 2.800 2.236 2.215 2.254     .  0 0 "[    .    1    .    2]" 1 
       354 1 13 TYR HA   1 13 TYR HB3  2.650 . 3.500 2.698 2.690 2.705     .  0 0 "[    .    1    .    2]" 1 
       355 1 13 TYR HA   1 13 TYR HB3  2.650 . 3.500 3.021 3.006 3.036     .  0 0 "[    .    1    .    2]" 1 
       356 1 13 TYR HA   1 13 TYR HB3  2.650 . 3.500 2.974 2.962 2.993     .  0 0 "[    .    1    .    2]" 1 
       357 1 13 TYR HA   1 13 TYR QD   2.300 . 2.800 2.382 2.087 2.576     .  0 0 "[    .    1    .    2]" 1 
       358 1 13 TYR HA   1 14 SER H    2.300 . 2.800 2.158 2.067 2.275     .  0 0 "[    .    1    .    2]" 1 
       359 1 13 TYR HB2  1 13 TYR QD   2.650 . 3.500 2.379 2.297 2.472     .  0 0 "[    .    1    .    2]" 1 
       360 1 13 TYR HB2  1 13 TYR QD   2.300 . 2.800 2.180 2.106 2.241     .  0 0 "[    .    1    .    2]" 1 
       361 1 13 TYR HB2  1 14 SER H    3.650 . 5.500 4.174 4.016 4.356     .  0 0 "[    .    1    .    2]" 1 
       362 1 13 TYR HB3  1 13 TYR QD   2.300 . 2.800 2.467 2.358 2.609     .  0 0 "[    .    1    .    2]" 1 
       363 1 13 TYR HB3  1 14 SER H    2.650 . 3.500 3.354 3.315 3.409     .  0 0 "[    .    1    .    2]" 1 
       364 1 13 TYR QD   1 14 SER H    3.650 . 5.500 3.440 3.247 3.843     .  0 0 "[    .    1    .    2]" 1 
       365 1 13 TYR QD   1 14 SER HA   3.650 . 5.500 3.359 2.860 3.709     .  0 0 "[    .    1    .    2]" 1 
       366 1 13 TYR QD   1 15 GLY H    3.650 . 5.500 3.667 2.958 4.917     .  0 0 "[    .    1    .    2]" 1 
       367 1 13 TYR QD   1 17 THR MG   3.150 . 4.500 3.144 2.597 3.448     .  0 0 "[    .    1    .    2]" 1 
       368 1 13 TYR QE   1 14 SER HA   3.650 . 5.500 3.627 2.745 3.952     .  0 0 "[    .    1    .    2]" 1 
       369 1 13 TYR QE   1 15 GLY H    3.650 . 5.500 3.726 3.051 5.123     .  0 0 "[    .    1    .    2]" 1 
       370 1 13 TYR QE   1 15 GLY HA3  3.150 . 4.500 3.215 2.442 4.494     .  0 0 "[    .    1    .    2]" 1 
       371 1 13 TYR QE   1 16 PRO HA   3.650 . 5.500 4.818 4.460 5.387     .  0 0 "[    .    1    .    2]" 1 
       372 1 13 TYR QE   1 17 THR MG   2.650 . 3.500 3.401 2.774 3.522 0.022  4 0 "[    .    1    .    2]" 1 
       373 1 14 SER H    1 14 SER HB2  3.150 . 4.500 2.945 2.438 3.901     .  0 0 "[    .    1    .    2]" 1 
       374 1 14 SER H    1 14 SER HB2  2.650 . 3.500 2.322 2.097 2.587     .  0 0 "[    .    1    .    2]" 1 
       375 1 14 SER H    1 14 SER HB3  3.150 . 4.500 3.662 3.211 3.824     .  0 0 "[    .    1    .    2]" 1 
       376 1 14 SER H    1 15 GLY H    3.150 . 4.500 4.088 3.694 4.417     .  0 0 "[    .    1    .    2]" 1 
       377 1 14 SER H    2  1 MAN H5   3.650 . 5.500 4.571 2.930 5.541 0.041 13 0 "[    .    1    .    2]" 1 
       378 1 14 SER HA   1 14 SER HB2  2.650 . 3.500 2.905 2.460 3.040     .  0 0 "[    .    1    .    2]" 1 
       379 1 14 SER HA   1 14 SER HB3  2.650 . 2.800 2.216 1.996 2.514     .  0 0 "[    .    1    .    2]" 1 
       380 1 14 SER HA   2  1 MAN H2   2.300 . 2.800 2.473 2.377 2.530     .  0 0 "[    .    1    .    2]" 1 
       381 1 15 GLY H    1 15 GLY HA3  2.650 . 3.500 2.839 2.697 2.941     .  0 0 "[    .    1    .    2]" 1 
       382 1 15 GLY HA2  1 16 PRO QG   3.150 . 4.500 4.045 3.783 4.302     .  0 0 "[    .    1    .    2]" 1 
       383 1 15 GLY HA2  1 16 PRO HG3  3.150 . 4.500 4.177 3.904 4.449     .  0 0 "[    .    1    .    2]" 1 
       384 1 15 GLY HA3  1 16 PRO QG   3.150 . 4.500 3.883 3.775 4.082     .  0 0 "[    .    1    .    2]" 1 
       385 1 16 PRO HA   1 16 PRO HB3  2.300 . 2.800 2.282 2.264 2.307     .  0 0 "[    .    1    .    2]" 1 
       386 1 16 PRO HA   1 16 PRO HD2  3.650 . 5.500 3.898 3.847 3.931     .  0 0 "[    .    1    .    2]" 1 
       387 1 16 PRO HA   1 16 PRO HD3  3.150 . 4.500 3.683 3.573 3.746     .  0 0 "[    .    1    .    2]" 1 
       388 1 16 PRO HA   1 16 PRO HG2  3.150 . 4.500 3.878 3.807 3.948     .  0 0 "[    .    1    .    2]" 1 
       389 1 16 PRO HA   1 17 THR H    2.300 . 2.800 2.199 2.119 2.266     .  0 0 "[    .    1    .    2]" 1 
       390 1 16 PRO HA   1 17 THR MG   3.650 . 5.500 4.059 3.811 4.216     .  0 0 "[    .    1    .    2]" 1 
       391 1 16 PRO HA   1 17 THR MG   2.650 . 3.500 3.012 2.919 3.070     .  0 0 "[    .    1    .    2]" 1 
       392 1 16 PRO HA   1 18 VAL H    3.150 . 4.500 3.362 3.238 3.641     .  0 0 "[    .    1    .    2]" 1 
       393 1 16 PRO HB2  1 16 PRO HD3  3.150 . 4.500 3.940 3.853 4.028     .  0 0 "[    .    1    .    2]" 1 
       394 1 16 PRO HB2  1 16 PRO HG2  2.300 . 2.800 2.299 2.274 2.333     .  0 0 "[    .    1    .    2]" 1 
       395 1 16 PRO HB2  1 17 THR H    3.650 . 5.500 4.108 3.852 4.229     .  0 0 "[    .    1    .    2]" 1 
       396 1 16 PRO HB2  1 18 VAL H    3.650 . 5.500 4.142 3.432 4.985     .  0 0 "[    .    1    .    2]" 1 
       397 1 16 PRO HB3  1 16 PRO HD2  3.150 . 4.500 3.884 3.801 3.948     .  0 0 "[    .    1    .    2]" 1 
       398 1 16 PRO HB3  1 16 PRO HD3  3.650 . 5.500 4.006 3.897 4.080     .  0 0 "[    .    1    .    2]" 1 
       399 1 16 PRO HB3  1 16 PRO HG2  2.300 . 2.800 2.722 2.657 2.792     .  0 0 "[    .    1    .    2]" 1 
       400 1 16 PRO HB3  1 17 THR H    3.150 . 4.500 4.111 3.744 4.321     .  0 0 "[    .    1    .    2]" 1 
       401 1 16 PRO HB3  1 18 VAL H    3.650 . 5.500 4.219 3.672 4.671     .  0 0 "[    .    1    .    2]" 1 
       402 1 16 PRO HD2  1 16 PRO HG2  2.300 . 2.800 2.317 2.287 2.356     .  0 0 "[    .    1    .    2]" 1 
       403 1 16 PRO HD3  1 16 PRO HG2  2.300 . 2.800 2.673 2.641 2.719     .  0 0 "[    .    1    .    2]" 1 
       404 1 16 PRO HD3  1 16 PRO QG   2.300 . 2.800 2.177 2.162 2.190     .  0 0 "[    .    1    .    2]" 1 
       405 1 17 THR H    1 17 THR HA   2.650 . 3.500 2.878 2.843 2.924     .  0 0 "[    .    1    .    2]" 1 
       406 1 17 THR H    1 17 THR HB   3.150 . 4.500 3.541 3.472 3.621     .  0 0 "[    .    1    .    2]" 1 
       407 1 17 THR H    1 17 THR MG   2.300 . 2.800 2.294 2.017 2.507     .  0 0 "[    .    1    .    2]" 1 
       408 1 17 THR H    1 18 VAL H    2.650 . 2.800 2.297 1.976 2.470     .  0 0 "[    .    1    .    2]" 1 
       409 1 17 THR H    1 18 VAL HB   3.650 . 5.500 4.610 4.215 4.860     .  0 0 "[    .    1    .    2]" 1 
       410 1 17 THR H    1 18 VAL MG2  3.650 . 5.500 3.515 3.328 3.856     .  0 0 "[    .    1    .    2]" 1 
       411 1 17 THR HA   1 17 THR HB   2.300 . 2.800 2.555 2.499 2.604     .  0 0 "[    .    1    .    2]" 1 
       412 1 17 THR HA   1 17 THR MG   2.650 . 3.500 2.240 2.189 2.308     .  0 0 "[    .    1    .    2]" 1 
       413 1 17 THR HA   1 18 VAL H    3.150 . 4.500 3.368 3.259 3.449     .  0 0 "[    .    1    .    2]" 1 
       414 1 17 THR HA   1 25 CYS HB2  3.650 . 5.500 4.658 4.376 4.954     .  0 0 "[    .    1    .    2]" 1 
       415 1 17 THR HA   1 25 CYS HB2  3.650 . 5.500 5.160 4.809 5.515 0.015 17 0 "[    .    1    .    2]" 1 
       416 1 17 THR HB   1 17 THR MG   2.300 . 2.800 2.145 2.140 2.155     .  0 0 "[    .    1    .    2]" 1 
       417 1 17 THR HB   1 25 CYS HB3  2.650 . 3.500 3.022 3.007 3.036     .  0 0 "[    .    1    .    2]" 1 
       418 1 17 THR MG   1 18 VAL H    3.650 . 5.500 4.196 4.085 4.327     .  0 0 "[    .    1    .    2]" 1 
       419 1 18 VAL H    1 18 VAL HB   2.650 . 3.500 2.554 2.488 2.622     .  0 0 "[    .    1    .    2]" 1 
       420 1 18 VAL H    1 18 VAL MG2  2.650 . 3.500 2.300 2.061 2.478     .  0 0 "[    .    1    .    2]" 1 
       421 1 18 VAL HA   1 18 VAL QG   2.300 . 2.800 2.152 2.123 2.162     .  0 0 "[    .    1    .    2]" 1 
       422 1 18 VAL HA   1 19 CYS H    2.300 . 2.800 2.118 2.084 2.153     .  0 0 "[    .    1    .    2]" 1 
       423 1 18 VAL MG1  1 19 CYS H    2.650 . 3.500 2.880 2.635 3.087     .  0 0 "[    .    1    .    2]" 1 
       424 1 19 CYS H    1 19 CYS HB2  2.650 . 2.800 2.491 2.439 2.594     .  0 0 "[    .    1    .    2]" 1 
       425 1 19 CYS H    1 19 CYS HB3  3.150 . 4.500 3.592 3.543 3.641     .  0 0 "[    .    1    .    2]" 1 
       426 1 19 CYS HA   1 19 CYS HB2  2.650 . 3.500 3.027 3.008 3.055     .  0 0 "[    .    1    .    2]" 1 
       427 1 19 CYS HA   1 19 CYS HB3  2.650 . 3.500 2.433 2.346 2.474     .  0 0 "[    .    1    .    2]" 1 
       428 1 19 CYS HA   1 20 ALA H    2.300 . 2.800 2.374 2.247 2.448     .  0 0 "[    .    1    .    2]" 1 
       429 1 19 CYS HB2  1 20 ALA H    3.150 . 4.500 3.418 3.313 3.549     .  0 0 "[    .    1    .    2]" 1 
       430 1 19 CYS HB2  1 24 THR H    3.650 . 5.500 4.513 4.118 4.761     .  0 0 "[    .    1    .    2]" 1 
       431 1 19 CYS HB2  1 24 THR HA   2.650 . 3.500 3.385 2.989 3.522 0.022  1 0 "[    .    1    .    2]" 1 
       432 1 19 CYS HB2  1 25 CYS H    3.650 . 5.500 3.818 3.455 4.133     .  0 0 "[    .    1    .    2]" 1 
       433 1 19 CYS HB2  1 35 CYS HB2  3.650 . 5.500 4.972 4.801 5.063     .  0 0 "[    .    1    .    2]" 1 
       434 1 19 CYS HB3  1 20 ALA H    2.650 . 3.500 2.464 2.351 2.653     .  0 0 "[    .    1    .    2]" 1 
       435 1 19 CYS HB3  1 23 THR MG   3.650 . 5.500 3.782 3.689 3.883     .  0 0 "[    .    1    .    2]" 1 
       436 1 19 CYS HB3  1 23 THR MG   3.650 . 5.500 4.078 3.966 4.297     .  0 0 "[    .    1    .    2]" 1 
       437 1 19 CYS HB3  1 35 CYS HB2  2.650 . 3.500 3.490 3.396 3.516 0.016  5 0 "[    .    1    .    2]" 1 
       438 1 19 CYS HB3  1 35 CYS HB3  3.150 . 4.500 2.159 2.051 2.251     .  0 0 "[    .    1    .    2]" 1 
       439 1 19 CYS HB3  1 36 LEU H    3.650 . 5.500 5.304 5.123 5.470     .  0 0 "[    .    1    .    2]" 1 
       440 1 20 ALA H    1 20 ALA HA   2.650 . 3.500 2.798 2.723 2.832     .  0 0 "[    .    1    .    2]" 1 
       441 1 20 ALA H    1 20 ALA MB   2.300 . 2.800 2.211 2.174 2.235     .  0 0 "[    .    1    .    2]" 1 
       442 1 20 ALA H    1 21 SER H    3.150 . 4.500 4.096 4.043 4.162     .  0 0 "[    .    1    .    2]" 1 
       443 1 20 ALA H    1 23 THR HB   3.650 . 5.500 3.641 3.591 3.721     .  0 0 "[    .    1    .    2]" 1 
       444 1 20 ALA H    1 35 CYS HB2  3.650 . 5.500 4.753 4.388 5.088     .  0 0 "[    .    1    .    2]" 1 
       445 1 20 ALA HA   1 20 ALA MB   2.300 . 2.800 2.131 2.118 2.143     .  0 0 "[    .    1    .    2]" 1 
       446 1 20 ALA HA   1 21 SER H    2.300 . 2.800 2.322 2.217 2.471     .  0 0 "[    .    1    .    2]" 1 
       447 1 20 ALA MB   1 21 SER QB   3.150 . 4.500 4.069 3.671 4.528 0.028  7 0 "[    .    1    .    2]" 1 
       448 1 21 SER H    1 21 SER HA   2.650 . 3.500 2.759 2.724 2.794     .  0 0 "[    .    1    .    2]" 1 
       449 1 21 SER H    1 21 SER QB   2.300 . 2.800 2.474 2.176 2.628     .  0 0 "[    .    1    .    2]" 1 
       450 1 21 SER H    1 22 GLY H    3.650 . 5.500 4.437 4.368 4.508     .  0 0 "[    .    1    .    2]" 1 
       451 1 21 SER HA   1 21 SER QB   2.300 . 2.800 2.307 2.166 2.390     .  0 0 "[    .    1    .    2]" 1 
       452 1 21 SER HA   1 22 GLY H    2.300 . 2.800 2.130 2.088 2.212     .  0 0 "[    .    1    .    2]" 1 
       453 1 21 SER HA   1 23 THR H    3.150 . 4.500 3.442 3.089 3.700     .  0 0 "[    .    1    .    2]" 1 
       454 1 21 SER QB   1 22 GLY H    3.150 . 4.500 3.404 3.091 3.848     .  0 0 "[    .    1    .    2]" 1 
       455 1 22 GLY H    1 22 GLY HA2  2.650 . 3.500 2.391 2.326 2.425     .  0 0 "[    .    1    .    2]" 1 
       456 1 22 GLY H    1 22 GLY HA3  2.650 . 3.500 2.930 2.896 2.947     .  0 0 "[    .    1    .    2]" 1 
       457 1 22 GLY H    1 23 THR H    2.650 . 3.500 2.370 2.191 2.515     .  0 0 "[    .    1    .    2]" 1 
       458 1 22 GLY H    1 24 THR MG   3.150 . 4.500 3.568 3.403 3.705     .  0 0 "[    .    1    .    2]" 1 
       459 1 22 GLY HA2  1 23 THR H    3.150 . 4.500 3.366 3.288 3.429     .  0 0 "[    .    1    .    2]" 1 
       460 1 22 GLY HA3  1 23 THR H    2.650 . 3.500 3.176 3.050 3.307     .  0 0 "[    .    1    .    2]" 1 
       461 1 22 GLY HA3  1 23 THR MG   3.150 . 4.500 3.551 3.379 3.659     .  0 0 "[    .    1    .    2]" 1 
       462 1 23 THR H    1 23 THR MG   3.150 . 4.500 2.748 2.569 2.955     .  0 0 "[    .    1    .    2]" 1 
       463 1 23 THR HA   1 23 THR HB   2.650 . 3.500 2.487 2.450 2.541     .  0 0 "[    .    1    .    2]" 1 
       464 1 23 THR HA   1 23 THR MG   2.650 . 3.500 2.385 2.263 2.431     .  0 0 "[    .    1    .    2]" 1 
       465 1 23 THR HA   1 24 THR H    2.650 . 3.500 2.235 2.176 2.304     .  0 0 "[    .    1    .    2]" 1 
       466 1 23 THR HA   1 36 LEU H    3.150 . 4.500 4.326 4.151 4.455     .  0 0 "[    .    1    .    2]" 1 
       467 1 23 THR HA   1 35 CYS HB2  4.150 . 6.500 5.933 5.813 6.045     .  0 0 "[    .    1    .    2]" 1 
       468 1 23 THR HB   1 23 THR MG   2.300 . 2.800 2.127 2.119 2.132     .  0 0 "[    .    1    .    2]" 1 
       469 1 23 THR HB   1 24 THR H    2.650 . 3.500 2.908 2.736 3.026     .  0 0 "[    .    1    .    2]" 1 
       470 1 23 THR HB   1 24 THR HA   3.150 . 4.500 3.671 3.472 3.800     .  0 0 "[    .    1    .    2]" 1 
       471 1 23 THR HB   1 35 CYS HA   3.150 . 4.500 3.746 3.560 3.919     .  0 0 "[    .    1    .    2]" 1 
       472 1 23 THR HB   1 35 CYS HB2  2.650 . 3.500 3.486 3.356 3.539 0.039 16 0 "[    .    1    .    2]" 1 
       473 1 23 THR HB   1 35 CYS HB3  3.150 . 4.500 2.368 2.192 2.525     .  0 0 "[    .    1    .    2]" 1 
       474 1 23 THR MG   1 24 THR H    3.150 . 4.500 3.864 3.590 3.940     .  0 0 "[    .    1    .    2]" 1 
       475 1 23 THR MG   1 35 CYS HB2  3.150 . 4.500 4.102 3.891 4.248     .  0 0 "[    .    1    .    2]" 1 
       476 1 23 THR MG   1 36 LEU HA   3.650 . 4.500 3.953 3.438 4.154     .  0 0 "[    .    1    .    2]" 1 
       477 1 24 THR H    1 24 THR HA   2.650 . 3.500 2.932 2.922 2.942     .  0 0 "[    .    1    .    2]" 1 
       478 1 24 THR H    1 24 THR HB   3.150 . 4.500 3.697 3.662 3.763     .  0 0 "[    .    1    .    2]" 1 
       479 1 24 THR H    1 24 THR MG   3.150 . 4.500 2.957 2.819 3.122     .  0 0 "[    .    1    .    2]" 1 
       480 1 24 THR H    1 25 CYS H    3.650 . 5.500 4.423 4.353 4.473     .  0 0 "[    .    1    .    2]" 1 
       481 1 24 THR H    1 26 GLN HE21 3.650 . 5.500 3.765 3.445 3.942     .  0 0 "[    .    1    .    2]" 1 
       482 1 24 THR H    1 35 CYS HA   3.150 . 4.500 3.874 3.705 3.993     .  0 0 "[    .    1    .    2]" 1 
       483 1 24 THR H    1 35 CYS HB2  3.650 . 5.500 5.519 5.490 5.539 0.039  6 0 "[    .    1    .    2]" 1 
       484 1 24 THR H    1 35 CYS HB3  3.650 . 5.500 4.132 4.051 4.234     .  0 0 "[    .    1    .    2]" 1 
       485 1 24 THR H    1 36 LEU H    2.650 . 3.500 2.826 2.712 2.955     .  0 0 "[    .    1    .    2]" 1 
       486 1 24 THR H    1 36 LEU QB   3.650 . 5.500 3.722 3.552 3.897     .  0 0 "[    .    1    .    2]" 1 
       487 1 24 THR H    1 36 LEU HG   4.150 . 6.500 5.525 5.426 5.699     .  0 0 "[    .    1    .    2]" 1 
       488 1 24 THR HA   1 24 THR HB   2.650 . 2.800 2.534 2.503 2.555     .  0 0 "[    .    1    .    2]" 1 
       489 1 24 THR HA   1 24 THR MG   2.650 . 3.500 2.280 2.240 2.314     .  0 0 "[    .    1    .    2]" 1 
       490 1 24 THR HA   1 25 CYS H        . . 2.800 2.206 2.148 2.260     .  0 0 "[    .    1    .    2]" 1 
       491 1 24 THR HA   1 25 CYS HB3  3.150 . 4.500 4.228 4.090 4.304     .  0 0 "[    .    1    .    2]" 1 
       492 1 24 THR HB   1 24 THR MG   2.300 . 2.800 2.140 2.132 2.147     .  0 0 "[    .    1    .    2]" 1 
       493 1 24 THR HB   1 25 CYS H    2.650 . 3.500 2.993 2.730 3.160     .  0 0 "[    .    1    .    2]" 1 
       494 1 24 THR HB   1 26 GLN HE21 3.650 . 5.500 3.583 3.171 4.192     .  0 0 "[    .    1    .    2]" 1 
       495 1 24 THR MG   1 25 CYS H    3.150 . 4.500 3.703 3.489 3.800     .  0 0 "[    .    1    .    2]" 1 
       496 1 24 THR MG   1 26 GLN HE21 3.650 . 5.500 3.901 3.540 4.439     .  0 0 "[    .    1    .    2]" 1 
       497 1 24 THR MG   1 26 GLN HE22 3.650 . 5.500 4.941 4.582 5.360     .  0 0 "[    .    1    .    2]" 1 
       498 1 25 CYS H    1 25 CYS HA   2.650 . 3.500 2.863 2.822 2.885     .  0 0 "[    .    1    .    2]" 1 
       499 1 25 CYS H    1 25 CYS HB2  2.650 . 3.500 2.650 2.544 2.721     .  0 0 "[    .    1    .    2]" 1 
       500 1 25 CYS H    1 25 CYS HB3  2.650 . 2.800 2.460 2.416 2.492     .  0 0 "[    .    1    .    2]" 1 
       501 1 25 CYS H    1 26 GLN H    3.150 . 4.500 3.992 3.918 4.103     .  0 0 "[    .    1    .    2]" 1 
       502 1 25 CYS H    1 35 CYS HA   3.650 . 5.500 4.128 3.830 4.311     .  0 0 "[    .    1    .    2]" 1 
       503 1 25 CYS HA   1 34 GLN H    2.650 . 3.500 3.366 3.294 3.480     .  0 0 "[    .    1    .    2]" 1 
       504 1 25 CYS HA   1 25 CYS HB2  2.650 . 2.800 2.470 2.443 2.489     .  0 0 "[    .    1    .    2]" 1 
       505 1 25 CYS HA   1 25 CYS HB3  2.650 . 3.500 3.036 3.027 3.046     .  0 0 "[    .    1    .    2]" 1 
       506 1 25 CYS HA   1 26 GLN H    2.300 . 2.800 2.168 2.142 2.192     .  0 0 "[    .    1    .    2]" 1 
       507 1 25 CYS HA   1 35 CYS HA   2.650 . 3.500 2.345 2.196 2.548     .  0 0 "[    .    1    .    2]" 1 
       508 1 25 CYS HA   1 35 CYS HB2  3.650 . 5.500 5.035 4.872 5.225     .  0 0 "[    .    1    .    2]" 1 
       509 1 25 CYS HB2  1 26 GLN H    3.650 . 5.500 4.458 4.370 4.504     .  0 0 "[    .    1    .    2]" 1 
       510 1 25 CYS HB2  1 26 GLN H    3.150 . 4.500 4.315 4.256 4.358     .  0 0 "[    .    1    .    2]" 1 
       511 1 25 CYS HB2  1 35 CYS HA   3.650 . 5.500 4.195 4.046 4.430     .  0 0 "[    .    1    .    2]" 1 
       512 1 25 CYS HB3  1 26 GLN H    3.650 . 5.500 4.253 4.190 4.295     .  0 0 "[    .    1    .    2]" 1 
       513 1 26 GLN H    1 26 GLN HB2  2.650 . 3.500 2.543 2.478 2.626     .  0 0 "[    .    1    .    2]" 1 
       514 1 26 GLN H    1 26 GLN HB2  2.650 . 3.500 2.513 2.434 2.599     .  0 0 "[    .    1    .    2]" 1 
       515 1 26 GLN H    1 26 GLN HB3  3.150 . 4.500 3.700 3.657 3.750     .  0 0 "[    .    1    .    2]" 1 
       516 1 26 GLN H    1 26 GLN HB3  3.150 . 4.500 3.590 3.537 3.647     .  0 0 "[    .    1    .    2]" 1 
       517 1 26 GLN H    1 26 GLN HG2  3.150 . 4.500 3.786 3.642 4.080     .  0 0 "[    .    1    .    2]" 1 
       518 1 26 GLN H    1 26 GLN HG3  3.150 . 4.500 2.708 2.573 3.018     .  0 0 "[    .    1    .    2]" 1 
       519 1 26 GLN H    1 27 VAL H    2.650 . 3.500 3.381 3.182 3.537 0.037  3 0 "[    .    1    .    2]" 1 
       520 1 26 GLN H    1 28 LEU MD2  3.150 . 4.500 3.352 3.198 3.551     .  0 0 "[    .    1    .    2]" 1 
       521 1 26 GLN H    1 35 CYS H    3.150 . 4.500 3.676 3.648 3.703     .  0 0 "[    .    1    .    2]" 1 
       522 1 26 GLN H    1 34 GLN HA   3.650 . 5.500 4.390 4.260 4.476     .  0 0 "[    .    1    .    2]" 1 
       523 1 26 GLN H    1 35 CYS HA   2.650 . 3.500 3.208 3.082 3.340     .  0 0 "[    .    1    .    2]" 1 
       524 1 26 GLN H    1 36 LEU HG   3.150 . 4.500 2.907 2.739 3.090     .  0 0 "[    .    1    .    2]" 1 
       525 1 26 GLN HA   1 26 GLN HB2  2.650 . 3.500 3.015 3.001 3.023     .  0 0 "[    .    1    .    2]" 1 
       526 1 26 GLN HA   1 26 GLN HB3  2.650 . 2.800 2.479 2.439 2.545     .  0 0 "[    .    1    .    2]" 1 
       527 1 26 GLN HA   1 26 GLN HE21 3.650 . 5.500 4.898 4.704 4.973     .  0 0 "[    .    1    .    2]" 1 
       528 1 26 GLN HA   1 26 GLN HG2  2.650 . 3.500 2.514 2.450 2.599     .  0 0 "[    .    1    .    2]" 1 
       529 1 26 GLN HA   1 26 GLN HG3  3.150 . 4.500 3.074 2.850 3.183     .  0 0 "[    .    1    .    2]" 1 
       530 1 26 GLN HA   1 27 VAL H    2.300 . 2.800 2.111 2.019 2.179     .  0 0 "[    .    1    .    2]" 1 
       531 1 26 GLN HA   1 27 VAL MG2  3.150 . 3.500 3.458 3.371 3.523 0.023 16 0 "[    .    1    .    2]" 1 
       532 1 26 GLN HB2  1 26 GLN HE21 3.650 . 5.500 3.866 2.885 4.094     .  0 0 "[    .    1    .    2]" 1 
       533 1 26 GLN HB2  1 26 GLN HG2  2.650 . 3.500 3.011 3.003 3.023     .  0 0 "[    .    1    .    2]" 1 
       534 1 26 GLN HB2  1 26 GLN HG2  2.300 . 2.800 2.256 2.245 2.268     .  0 0 "[    .    1    .    2]" 1 
       535 1 26 GLN HB2  1 26 GLN HG3  2.650 . 3.500 2.431 2.396 2.486     .  0 0 "[    .    1    .    2]" 1 
       536 1 26 GLN HB2  1 36 LEU MD1  2.300 . 2.800 1.994 1.938 2.052     .  0 0 "[    .    1    .    2]" 1 
       537 1 26 GLN HB2  1 34 GLN H    2.650 . 3.500 2.561 2.500 2.667     .  0 0 "[    .    1    .    2]" 1 
       538 1 26 GLN HB3  1 26 GLN HG2  2.300 . 2.800 2.259 2.229 2.273     .  0 0 "[    .    1    .    2]" 1 
       539 1 26 GLN HB3  1 26 GLN HG3  2.650 . 3.500 3.009 3.004 3.016     .  0 0 "[    .    1    .    2]" 1 
       540 1 26 GLN HB3  1 34 GLN H    3.150 . 4.500 3.556 3.457 3.658     .  0 0 "[    .    1    .    2]" 1 
       541 1 26 GLN HB3  1 36 LEU HG   3.650 . 5.500 4.934 4.552 5.355     .  0 0 "[    .    1    .    2]" 1 
       542 1 26 GLN HE21 1 26 GLN HG2  3.150 . 4.500 2.972 2.859 3.432     .  0 0 "[    .    1    .    2]" 1 
       543 1 26 GLN HE21 1 26 GLN HG3  3.150 . 4.500 2.208 2.179 2.225     .  0 0 "[    .    1    .    2]" 1 
       544 1 26 GLN HE21 1 36 LEU MD1  3.650 . 5.500 3.300 1.960 3.944     .  0 0 "[    .    1    .    2]" 1 
       545 1 26 GLN HE21 1 36 LEU H    3.650 . 5.500 3.780 2.961 4.148     .  0 0 "[    .    1    .    2]" 1 
       546 1 26 GLN HE21 1 36 LEU QB   3.650 . 5.500 2.478 1.808 2.886     .  0 0 "[    .    1    .    2]" 1 
       547 1 26 GLN HE22 1 26 GLN HG2  3.650 . 5.500 3.797 3.732 4.036     .  0 0 "[    .    1    .    2]" 1 
       548 1 26 GLN HE22 1 26 GLN HG3  3.650 . 5.500 3.465 3.448 3.486     .  0 0 "[    .    1    .    2]" 1 
       549 1 26 GLN HE22 1 36 LEU H    3.650 . 5.500 4.051 3.868 4.158     .  0 0 "[    .    1    .    2]" 1 
       550 1 26 GLN HE22 1 36 LEU MD2  3.650 . 5.500 3.926 3.017 4.201     .  0 0 "[    .    1    .    2]" 1 
       551 1 26 GLN HE22 1 36 LEU QB   3.150 . 4.500 2.725 2.289 3.085     .  0 0 "[    .    1    .    2]" 1 
       552 1 26 GLN HE22 1 36 LEU MD1  3.650 . 5.500 3.251 2.956 3.459     .  0 0 "[    .    1    .    2]" 1 
       553 1 26 GLN HG3  1 27 VAL H    3.650 . 5.500 4.997 4.816 5.118     .  0 0 "[    .    1    .    2]" 1 
       554 1 26 GLN HG3  1 36 LEU QB   3.150 . 4.500 3.064 2.751 3.690     .  0 0 "[    .    1    .    2]" 1 
       555 1 26 GLN HG3  1 36 LEU MD1  3.150 . 4.500 3.712 3.372 4.492     .  0 0 "[    .    1    .    2]" 1 
       556 1 27 VAL H    1 27 VAL HB   2.650 . 3.500 2.223 2.128 2.279     .  0 0 "[    .    1    .    2]" 1 
       557 1 27 VAL H    1 27 VAL HB   2.300 . 2.800 2.094 1.969 2.245     .  0 0 "[    .    1    .    2]" 1 
       558 1 27 VAL H    1 27 VAL MG1  2.650 . 3.500 2.982 2.773 3.168     .  0 0 "[    .    1    .    2]" 1 
       559 1 27 VAL H    1 27 VAL MG2  2.300 . 2.800 2.165 2.050 2.319     .  0 0 "[    .    1    .    2]" 1 
       560 1 27 VAL H    1 34 GLN H    3.150 . 4.500 3.448 3.216 3.637     .  0 0 "[    .    1    .    2]" 1 
       561 1 27 VAL HA   1 27 VAL HB   2.650 . 3.500 3.039 3.032 3.048     .  0 0 "[    .    1    .    2]" 1 
       562 1 27 VAL HA   1 27 VAL MG1  2.650 . 2.800 2.413 2.370 2.460     .  0 0 "[    .    1    .    2]" 1 
       563 1 27 VAL HA   1 27 VAL MG2  2.300 . 2.800 2.429 2.370 2.487     .  0 0 "[    .    1    .    2]" 1 
       564 1 27 VAL HA   1 28 LEU H    2.300 . 2.800 2.142 2.109 2.201     .  0 0 "[    .    1    .    2]" 1 
       565 1 27 VAL HA   1 28 LEU HB3  3.650 . 5.500 4.218 3.847 4.960     .  0 0 "[    .    1    .    2]" 1 
       566 1 27 VAL HA   1 33 SER HA       . . 2.800 2.211 2.040 2.437     .  0 0 "[    .    1    .    2]" 1 
       567 1 27 VAL HA   1 33 SER HB3  2.300 . 2.800 2.744 2.509 2.826 0.026  3 0 "[    .    1    .    2]" 1 
       568 1 27 VAL HA   1 34 GLN H    3.150 . 4.500 3.656 3.449 3.849     .  0 0 "[    .    1    .    2]" 1 
       569 1 27 VAL HB   1 27 VAL MG1  2.300 . 2.800 2.128 2.120 2.135     .  0 0 "[    .    1    .    2]" 1 
       570 1 27 VAL MG1  1 28 LEU H    2.650 . 3.500 2.802 2.575 3.014     .  0 0 "[    .    1    .    2]" 1 
       571 1 27 VAL MG1  1 28 LEU HA   3.650 . 5.500 4.134 3.954 4.443     .  0 0 "[    .    1    .    2]" 1 
       572 1 27 VAL MG1  1 29 ASN H    2.650 . 3.500 3.171 2.799 3.441     .  0 0 "[    .    1    .    2]" 1 
       573 1 27 VAL MG1  1 29 ASN HA   3.150 . 4.500 3.981 3.600 4.375     .  0 0 "[    .    1    .    2]" 1 
       574 1 27 VAL MG1  1 30 PRO HA   3.650 . 4.500 3.204 2.726 3.837     .  0 0 "[    .    1    .    2]" 1 
       575 1 27 VAL MG1  1 33 SER HA   3.650 . 5.500 3.780 3.557 4.061     .  0 0 "[    .    1    .    2]" 1 
       576 1 27 VAL MG2  1 33 SER HB2  3.650 . 5.500 3.923 3.751 4.067     .  0 0 "[    .    1    .    2]" 1 
       577 1 27 VAL MG2  1 33 SER HA   3.150 . 4.500 3.751 3.562 3.914     .  0 0 "[    .    1    .    2]" 1 
       578 1 27 VAL MG2  1 33 SER HB2  3.150 . 4.500 3.987 3.765 4.324     .  0 0 "[    .    1    .    2]" 1 
       579 1 27 VAL MG2  1 33 SER HB3  3.650 . 5.500 2.954 2.715 3.356     .  0 0 "[    .    1    .    2]" 1 
       580 1 28 LEU H    1 28 LEU HB3  2.650 . 3.500 2.458 2.219 3.001     .  0 0 "[    .    1    .    2]" 1 
       581 1 28 LEU H    1 28 LEU HB3  2.650 . 3.500 2.612 2.312 3.261     .  0 0 "[    .    1    .    2]" 1 
       582 1 28 LEU H    1 28 LEU HG   2.650 . 3.500 2.552 2.308 3.196     .  0 0 "[    .    1    .    2]" 1 
       583 1 28 LEU H    1 28 LEU MD1  3.150 . 4.500 3.768 2.151 4.360     .  0 0 "[    .    1    .    2]" 1 
       584 1 28 LEU H    1 32 TYR HB3  3.650 . 5.500 2.870 2.272 3.126     .  0 0 "[    .    1    .    2]" 1 
       585 1 28 LEU H    1 32 TYR QD   3.650 . 5.500 3.497 3.369 3.890     .  0 0 "[    .    1    .    2]" 1 
       586 1 28 LEU H    1 32 TYR HB3  3.650 . 5.500 3.906 3.484 4.097     .  0 0 "[    .    1    .    2]" 1 
       587 1 28 LEU H    1 33 SER HA   2.650 . 3.500 2.177 2.016 2.306     .  0 0 "[    .    1    .    2]" 1 
       588 1 28 LEU HA   1 28 LEU HB2  2.650 . 3.500 2.923 2.607 3.027     .  0 0 "[    .    1    .    2]" 1 
       589 1 28 LEU HA   1 28 LEU HB3  2.300 . 2.800 2.377 2.199 2.459     .  0 0 "[    .    1    .    2]" 1 
       590 1 28 LEU HA   1 28 LEU MD1  3.650 . 5.500 3.778 3.065 3.884     .  0 0 "[    .    1    .    2]" 1 
       591 1 28 LEU HA   1 28 LEU MD2  2.650 . 3.500 2.436 2.053 3.603 0.103  6 0 "[    .    1    .    2]" 1 
       592 1 28 LEU HA   1 32 TYR QD   3.650 . 5.500 5.214 4.891 5.528 0.028  3 0 "[    .    1    .    2]" 1 
       593 1 28 LEU HB2  1 28 LEU MD1  2.650 . 3.500 2.329 2.238 2.393     .  0 0 "[    .    1    .    2]" 1 
       594 1 28 LEU HB2  1 28 LEU MD1  2.650 . 3.500 2.047 1.858 2.224     .  0 0 "[    .    1    .    2]" 1 
       595 1 28 LEU HB2  1 29 ASN H    3.150 . 4.500 2.736 2.233 3.637     .  0 0 "[    .    1    .    2]" 1 
       596 1 28 LEU HB2  1 29 ASN HA   3.150 . 4.500 4.042 3.847 4.329     .  0 0 "[    .    1    .    2]" 1 
       597 1 28 LEU HB2  1 29 ASN QB   3.650 . 5.500 3.835 3.550 4.329     .  0 0 "[    .    1    .    2]" 1 
       598 1 28 LEU HB2  1 29 ASN HD21 4.150 . 6.500 4.315 2.019 6.115     .  0 0 "[    .    1    .    2]" 1 
       599 1 28 LEU HB2  1 32 TYR HB3  3.150 . 4.500 3.465 2.376 4.534 0.034  5 0 "[    .    1    .    2]" 1 
       600 1 28 LEU HB2  1 32 TYR QD   2.650 . 3.500 2.546 1.953 3.214     .  0 0 "[    .    1    .    2]" 1 
       601 1 28 LEU HB2  1 33 SER HA   3.650 . 5.500 3.743 3.382 4.051     .  0 0 "[    .    1    .    2]" 1 
       602 1 28 LEU HB3  1 32 TYR QD   2.650 . 3.500 2.923 2.000 3.523 0.023  6 0 "[    .    1    .    2]" 1 
       603 1 28 LEU HB3  1 33 SER HA   3.650 . 5.500 3.532 3.078 4.786     .  0 0 "[    .    1    .    2]" 1 
       604 1 28 LEU HB3  1 29 ASN HD21 4.150 . 6.500 4.291 2.319 6.117     .  0 0 "[    .    1    .    2]" 1 
       605 1 28 LEU HB3  1 29 ASN HD22 4.150 . 6.500 4.167 3.031 5.344     .  0 0 "[    .    1    .    2]" 1 
       606 1 28 LEU MD1  1 32 TYR HB3  3.650 . 5.500 4.180 3.941 4.516     .  0 0 "[    .    1    .    2]" 1 
       607 1 28 LEU MD1  1 32 TYR QD   2.650 . 3.500 2.312 2.054 3.303     .  0 0 "[    .    1    .    2]" 1 
       608 1 28 LEU MD1  1 32 TYR QE   2.650 . 3.500 2.327 1.969 3.510 0.010  3 0 "[    .    1    .    2]" 1 
       609 1 28 LEU MD1  1 33 SER HA   3.650 . 5.500 4.226 2.509 4.975     .  0 0 "[    .    1    .    2]" 1 
       610 1 28 LEU MD1  1 34 GLN H    3.150 . 4.500 3.702 2.262 4.440     .  0 0 "[    .    1    .    2]" 1 
       611 1 28 LEU MD1  1 34 GLN HB2  3.150 . 4.500 2.921 2.561 3.474     .  0 0 "[    .    1    .    2]" 1 
       612 1 28 LEU MD1  1 34 GLN HE21 3.650 . 5.500 3.632 1.767 4.399 0.033 13 0 "[    .    1    .    2]" 1 
       613 1 28 LEU MD2  1 29 ASN H    3.650 . 5.500 4.329 3.548 4.712     .  0 0 "[    .    1    .    2]" 1 
       614 1 28 LEU MD2  1 32 TYR QD   3.150 . 4.500 4.029 2.843 4.520 0.020 16 0 "[    .    1    .    2]" 1 
       615 1 28 LEU MD2  1 32 TYR QE   3.650 . 5.500 4.511 2.838 4.990     .  0 0 "[    .    1    .    2]" 1 
       616 1 29 ASN H    1 29 ASN HA   2.650 . 3.500 2.928 2.896 2.953     .  0 0 "[    .    1    .    2]" 1 
       617 1 29 ASN H    1 29 ASN QB   3.150 . 4.500 2.643 2.507 2.805     .  0 0 "[    .    1    .    2]" 1 
       618 1 29 ASN H    1 29 ASN QB   3.150 . 4.500 2.435 2.312 2.559     .  0 0 "[    .    1    .    2]" 1 
       619 1 29 ASN H    1 30 PRO HD2  3.650 . 5.500 5.079 5.042 5.128     .  0 0 "[    .    1    .    2]" 1 
       620 1 29 ASN H    1 32 TYR HB3  3.650 . 5.500 2.921 2.296 3.192     .  0 0 "[    .    1    .    2]" 1 
       621 1 29 ASN HA   1 29 ASN QB   2.300 . 2.800 2.377 2.337 2.440     .  0 0 "[    .    1    .    2]" 1 
       622 1 29 ASN HA   1 29 ASN HD21 3.650 . 5.500 4.210 2.711 4.586     .  0 0 "[    .    1    .    2]" 1 
       623 1 29 ASN HA   1 30 PRO HD2  2.650 . 3.500 3.181 3.115 3.338     .  0 0 "[    .    1    .    2]" 1 
       624 1 29 ASN HA   1 30 PRO HD3  2.650 . 2.800 2.286 2.192 2.383     .  0 0 "[    .    1    .    2]" 1 
       625 1 29 ASN HA   1 30 PRO HG2  3.650 . 5.500 4.880 4.791 4.969     .  0 0 "[    .    1    .    2]" 1 
       626 1 29 ASN HA   1 30 PRO HG3  3.650 . 5.500 4.358 4.255 4.466     .  0 0 "[    .    1    .    2]" 1 
       627 1 29 ASN QB   1 29 ASN HD21 2.300 . 2.800 2.232 2.129 2.817 0.017  3 0 "[    .    1    .    2]" 1 
       628 1 29 ASN QB   1 29 ASN HD22 3.150 . 3.500 3.246 3.180 3.477     .  0 0 "[    .    1    .    2]" 1 
       629 1 29 ASN QB   1 29 ASN HD22 3.650 . 5.500 3.104 2.870 3.338     .  0 0 "[    .    1    .    2]" 1 
       630 1 29 ASN QB   1 30 PRO HD2  2.300 . 2.800 2.060 1.969 2.137     .  0 0 "[    .    1    .    2]" 1 
       631 1 29 ASN QB   1 30 PRO HD3  2.300 . 2.800 2.778 2.615 2.807 0.007  9 0 "[    .    1    .    2]" 1 
       632 1 29 ASN QB   1 30 PRO HG2  3.650 . 4.500 4.251 4.146 4.336     .  0 0 "[    .    1    .    2]" 1 
       633 1 29 ASN QB   1 31 TYR H    3.150 . 4.500 2.869 2.519 3.038     .  0 0 "[    .    1    .    2]" 1 
       634 1 29 ASN QB   1 31 TYR QD   3.150 . 4.500 4.045 3.268 4.486     .  0 0 "[    .    1    .    2]" 1 
       635 1 29 ASN QB   1 32 TYR H    3.650 . 5.500 2.100 1.884 2.354     .  0 0 "[    .    1    .    2]" 1 
       636 1 29 ASN HD21 1 30 PRO HD2  3.650 . 5.500 4.971 3.856 5.509 0.009  5 0 "[    .    1    .    2]" 1 
       637 1 29 ASN HD21 1 30 PRO HD3  4.150 . 6.500 5.532 4.551 5.895     .  0 0 "[    .    1    .    2]" 1 
       638 1 29 ASN HD21 1 32 TYR HB2  3.650 . 5.500 3.087 2.529 4.286     .  0 0 "[    .    1    .    2]" 1 
       639 1 29 ASN HD21 1 32 TYR HB3  3.650 . 5.500 2.440 1.786 3.857 0.014  5 0 "[    .    1    .    2]" 1 
       640 1 29 ASN HD22 1 32 TYR HB2  3.150 . 4.500 4.387 3.917 4.520 0.020  8 0 "[    .    1    .    2]" 1 
       641 1 29 ASN HD22 1 32 TYR HB3  3.150 . 4.500 3.635 3.384 4.193     .  0 0 "[    .    1    .    2]" 1 
       642 1 30 PRO HA   1 30 PRO HB3  2.300 . 2.800 2.315 2.298 2.331     .  0 0 "[    .    1    .    2]" 1 
       643 1 30 PRO HB2  1 30 PRO HD2  3.150 . 4.500 2.889 2.823 2.933     .  0 0 "[    .    1    .    2]" 1 
       644 1 30 PRO HB2  1 31 TYR H    3.150 . 4.500 2.578 2.449 2.818     .  0 0 "[    .    1    .    2]" 1 
       645 1 30 PRO HB3  1 30 PRO HD3  3.650 . 5.500 4.075 4.055 4.097     .  0 0 "[    .    1    .    2]" 1 
       646 1 30 PRO HB3  1 30 PRO HG3  2.300 . 2.800 2.331 2.317 2.347     .  0 0 "[    .    1    .    2]" 1 
       647 1 30 PRO HB3  1 31 TYR QD   3.650 . 5.500 4.278 3.865 4.838     .  0 0 "[    .    1    .    2]" 1 
       648 1 30 PRO HB3  1 31 TYR QE   3.650 . 5.500 4.372 3.866 4.795     .  0 0 "[    .    1    .    2]" 1 
       649 1 30 PRO HD2  1 30 PRO HG2  2.650 . 3.500 2.309 2.292 2.331     .  0 0 "[    .    1    .    2]" 1 
       650 1 30 PRO HD2  1 30 PRO HG3  2.650 . 3.500 2.985 2.973 2.993     .  0 0 "[    .    1    .    2]" 1 
       651 1 30 PRO HD2  1 31 TYR H    3.150 . 4.500 2.877 2.649 3.146     .  0 0 "[    .    1    .    2]" 1 
       652 1 30 PRO HD2  1 31 TYR QD   3.150 . 4.500 3.488 2.883 4.024     .  0 0 "[    .    1    .    2]" 1 
       653 1 30 PRO HD2  1 31 TYR QE   3.650 . 5.500 4.687 3.662 5.502 0.002  8 0 "[    .    1    .    2]" 1 
       654 1 30 PRO HD3  1 30 PRO HG2  2.650 . 3.500 2.695 2.679 2.714     .  0 0 "[    .    1    .    2]" 1 
       655 1 30 PRO HD3  1 30 PRO HG3  2.650 . 3.500 2.326 2.310 2.336     .  0 0 "[    .    1    .    2]" 1 
       656 1 30 PRO HD3  1 31 TYR QD   3.650 . 5.500 5.110 4.605 5.500     .  0 0 "[    .    1    .    2]" 1 
       657 1 30 PRO HG2  1 31 TYR HA   4.150 . 6.500 6.380 6.209 6.498     .  0 0 "[    .    1    .    2]" 1 
       658 1 30 PRO HG2  1 31 TYR QD   3.650 . 5.500 3.995 3.570 4.444     .  0 0 "[    .    1    .    2]" 1 
       659 1 30 PRO HG2  1 31 TYR QE   3.650 . 5.500 3.983 3.582 4.566     .  0 0 "[    .    1    .    2]" 1 
       660 1 31 TYR H    1 31 TYR HB2  2.650 . 3.500 2.580 2.489 2.696     .  0 0 "[    .    1    .    2]" 1 
       661 1 31 TYR H    1 31 TYR HB3  3.150 . 4.500 3.689 3.658 3.737     .  0 0 "[    .    1    .    2]" 1 
       662 1 31 TYR H    1 31 TYR QD   2.650 . 3.500 2.399 2.152 2.675     .  0 0 "[    .    1    .    2]" 1 
       663 1 31 TYR H    1 32 TYR H    2.300 . 2.800 2.095 2.008 2.215     .  0 0 "[    .    1    .    2]" 1 
       664 1 31 TYR HA   1 31 TYR HB2  2.650 . 3.500 3.029 3.016 3.042     .  0 0 "[    .    1    .    2]" 1 
       665 1 31 TYR HA   1 31 TYR HB3  2.650 . 3.500 2.437 2.360 2.495     .  0 0 "[    .    1    .    2]" 1 
       666 1 31 TYR HA   1 31 TYR QD   2.650 . 3.500 3.068 2.848 3.234     .  0 0 "[    .    1    .    2]" 1 
       667 1 31 TYR HA   1 31 TYR QE   3.650 . 5.500 4.784 4.676 4.873     .  0 0 "[    .    1    .    2]" 1 
       668 1 31 TYR HA   1 32 TYR H    3.150 . 4.500 3.472 3.424 3.521     .  0 0 "[    .    1    .    2]" 1 
       669 1 31 TYR HB2  1 31 TYR QD   2.300 . 2.800 2.456 2.355 2.602     .  0 0 "[    .    1    .    2]" 1 
       670 1 31 TYR HB2  1 31 TYR QE   3.150 . 4.500 4.427 4.386 4.460     .  0 0 "[    .    1    .    2]" 1 
       671 1 31 TYR HB2  1 32 TYR H    2.650 . 3.500 2.505 2.434 2.573     .  0 0 "[    .    1    .    2]" 1 
       672 1 31 TYR HB3  1 31 TYR QD   2.650 . 3.500 2.369 2.272 2.476     .  0 0 "[    .    1    .    2]" 1 
       673 1 31 TYR HB3  1 32 TYR H    3.650 . 5.500 3.997 3.903 4.053     .  0 0 "[    .    1    .    2]" 1 
       674 1 31 TYR QD   1 32 TYR H    3.650 . 5.500 4.021 3.689 4.227     .  0 0 "[    .    1    .    2]" 1 
       675 1 32 TYR H    1 32 TYR HB2  2.650 . 3.500 2.692 2.605 2.791     .  0 0 "[    .    1    .    2]" 1 
       676 1 32 TYR H    1 32 TYR HB3  3.150 . 4.500 2.694 2.627 2.752     .  0 0 "[    .    1    .    2]" 1 
       677 1 32 TYR H    1 32 TYR QD   3.650 . 5.500 4.274 4.235 4.314     .  0 0 "[    .    1    .    2]" 1 
       678 1 32 TYR H    1 33 SER H    3.150 . 4.500 4.316 4.291 4.332     .  0 0 "[    .    1    .    2]" 1 
       679 1 32 TYR HA   1 32 TYR HB2  2.650 . 3.500 2.538 2.490 2.590     .  0 0 "[    .    1    .    2]" 1 
       680 1 32 TYR HA   1 32 TYR QD   2.300 . 2.800 2.504 2.129 2.721     .  0 0 "[    .    1    .    2]" 1 
       681 1 32 TYR HA   1 32 TYR QE   3.650 . 5.500 4.425 4.296 4.508     .  0 0 "[    .    1    .    2]" 1 
       682 1 32 TYR HA   1 33 SER H    2.300 . 2.800 2.106 2.065 2.180     .  0 0 "[    .    1    .    2]" 1 
       683 1 32 TYR HB2  1 32 TYR QD   2.300 . 2.800 2.535 2.446 2.617     .  0 0 "[    .    1    .    2]" 1 
       684 1 32 TYR HB3  1 32 TYR QD   2.300 . 2.800 2.331 2.263 2.636     .  0 0 "[    .    1    .    2]" 1 
       685 1 32 TYR HB3  1 33 SER H    3.650 . 5.500 4.222 4.158 4.279     .  0 0 "[    .    1    .    2]" 1 
       686 1 32 TYR QD   1 34 GLN HB2  3.150 . 4.500 3.617 3.081 4.283     .  0 0 "[    .    1    .    2]" 1 
       687 1 32 TYR QE   1 34 GLN HA   3.650 . 5.500 4.512 4.105 5.169     .  0 0 "[    .    1    .    2]" 1 
       688 1 32 TYR QE   1 34 GLN HB2  2.650 . 3.500 2.480 1.998 3.291     .  0 0 "[    .    1    .    2]" 1 
       689 1 32 TYR QE   1 34 GLN HB3  2.650 . 3.500 3.412 3.108 3.518 0.018 10 0 "[    .    1    .    2]" 1 
       690 1 32 TYR QE   1 34 GLN HE21 3.650 . 5.500 3.179 2.217 4.284     .  0 0 "[    .    1    .    2]" 1 
       691 1 33 SER H    1 33 SER HB2  2.650 . 3.500 2.666 2.577 2.888     .  0 0 "[    .    1    .    2]" 1 
       692 1 33 SER H    1 33 SER HB3  3.150 . 4.500 3.755 3.696 3.857     .  0 0 "[    .    1    .    2]" 1 
       693 1 33 SER H    1 34 GLN HB3  3.650 . 5.500 4.206 3.852 4.331     .  0 0 "[    .    1    .    2]" 1 
       694 1 33 SER HA   1 33 SER HB3  2.650 . 3.500 2.436 2.376 2.460     .  0 0 "[    .    1    .    2]" 1 
       695 1 33 SER HA   1 34 GLN H    2.300 . 2.800 2.251 2.195 2.327     .  0 0 "[    .    1    .    2]" 1 
       696 1 33 SER HB2  1 34 GLN H    3.150 . 4.500 3.365 3.244 3.422     .  0 0 "[    .    1    .    2]" 1 
       697 1 34 GLN H    1 34 GLN HB2  2.650 . 3.500 3.214 3.084 3.334     .  0 0 "[    .    1    .    2]" 1 
       698 1 34 GLN H    1 34 GLN HB3  2.650 . 3.500 2.643 2.544 2.744     .  0 0 "[    .    1    .    2]" 1 
       699 1 34 GLN H    1 35 CYS H    3.150 . 4.500 3.852 3.823 3.906     .  0 0 "[    .    1    .    2]" 1 
       700 1 34 GLN HA   1 35 CYS H    2.300 . 2.800 2.228 2.187 2.276     .  0 0 "[    .    1    .    2]" 1 
       701 1 34 GLN HB2  1 34 GLN QG   2.300 . 2.800 2.348 2.303 2.396     .  0 0 "[    .    1    .    2]" 1 
       702 1 34 GLN HB2  1 35 CYS H    3.150 . 4.500 4.038 3.920 4.152     .  0 0 "[    .    1    .    2]" 1 
       703 1 34 GLN HB3  1 36 LEU MD2  3.150 . 4.500 3.586 3.351 3.998     .  0 0 "[    .    1    .    2]" 1 
       704 1 34 GLN HB3  1 36 LEU HG   3.150 . 4.500 3.221 2.939 3.645     .  0 0 "[    .    1    .    2]" 1 
       705 1 34 GLN HE21 1 34 GLN QG   2.650 . 3.500 2.209 2.175 2.241     .  0 0 "[    .    1    .    2]" 1 
       706 1 34 GLN HE21 1 36 LEU MD2  3.650 . 5.500 4.293 1.787 4.926 0.013 12 0 "[    .    1    .    2]" 1 
       707 1 34 GLN HE22 1 34 GLN QG   2.650 . 3.500 3.279 3.265 3.296     .  0 0 "[    .    1    .    2]" 1 
       708 1 34 GLN QG   1 35 CYS H    2.650 . 3.500 2.515 2.370 2.613     .  0 0 "[    .    1    .    2]" 1 
       709 1 34 GLN QG   1 36 LEU MD2  3.150 . 4.500 2.641 2.376 3.046     .  0 0 "[    .    1    .    2]" 1 
       710 1 34 GLN QG   1 36 LEU HG   2.650 . 3.500 2.866 2.305 3.118     .  0 0 "[    .    1    .    2]" 1 
       711 1 35 CYS H    1 35 CYS HA   2.650 . 3.500 2.847 2.830 2.861     .  0 0 "[    .    1    .    2]" 1 
       712 1 35 CYS H    1 35 CYS HB2  2.650 . 3.500 2.566 2.520 2.649     .  0 0 "[    .    1    .    2]" 1 
       713 1 35 CYS H    1 35 CYS HB3  2.650 . 3.500 3.569 3.545 3.588 0.088 10 0 "[    .    1    .    2]" 1 
       714 1 35 CYS H    1 36 LEU HG   3.650 . 5.500 4.730 4.537 4.982     .  0 0 "[    .    1    .    2]" 1 
       715 1 35 CYS HA   1 35 CYS HB2  2.650 . 3.500 3.025 3.012 3.039     .  0 0 "[    .    1    .    2]" 1 
       716 1 35 CYS HA   1 35 CYS HB3  2.650 . 3.500 2.386 2.355 2.415     .  0 0 "[    .    1    .    2]" 1 
       717 1 35 CYS HA   1 36 LEU H    2.300 . 2.800 2.100 2.054 2.132     .  0 0 "[    .    1    .    2]" 1 
       718 1 35 CYS HA   1 36 LEU QB   3.150 . 4.500 4.351 4.310 4.403     .  0 0 "[    .    1    .    2]" 1 
       719 1 35 CYS HA   1 36 LEU HG   3.150 . 4.500 4.233 4.074 4.407     .  0 0 "[    .    1    .    2]" 1 
       720 1 35 CYS HB2  1 36 LEU H    3.150 . 4.500 4.278 4.200 4.326     .  0 0 "[    .    1    .    2]" 1 
       721 1 35 CYS HB2  1 36 LEU HA   4.150 . 6.500 4.752 4.640 4.856     .  0 0 "[    .    1    .    2]" 1 
       722 1 36 LEU H    1 36 LEU HA   2.650 . 3.500 2.920 2.912 2.929     .  0 0 "[    .    1    .    2]" 1 
       723 1 36 LEU H    1 36 LEU QB   2.300 . 2.800 2.453 2.402 2.506     .  0 0 "[    .    1    .    2]" 1 
       724 1 36 LEU H    1 36 LEU HG   2.650 . 3.500 2.976 2.798 3.147     .  0 0 "[    .    1    .    2]" 1 
       725 1 36 LEU HA   1 36 LEU QB   2.300 . 2.800 2.384 2.365 2.407     .  0 0 "[    .    1    .    2]" 1 
       726 1 36 LEU HA   1 36 LEU MD1  3.150 . 4.500 3.870 3.845 3.891     .  0 0 "[    .    1    .    2]" 1 
       727 1 36 LEU HA   1 36 LEU MD2  2.300 . 2.800 2.056 1.983 2.122     .  0 0 "[    .    1    .    2]" 1 
       728 1 36 LEU HA   1 36 LEU HG   3.150 . 4.500 3.106 3.025 3.159     .  0 0 "[    .    1    .    2]" 1 
       729 1 36 LEU QB   1 36 LEU MD1  2.300 . 2.800 2.094 2.080 2.109     .  0 0 "[    .    1    .    2]" 1 
       730 1 36 LEU QB   1 36 LEU HG   2.300 . 2.800 2.368 2.351 2.384     .  0 0 "[    .    1    .    2]" 1 
       731 1 36 LEU MD1  1 36 LEU HG   2.300 . 2.800 2.126 2.118 2.132     .  0 0 "[    .    1    .    2]" 1 
       732 1 36 LEU MD2  1 36 LEU HG   2.300 . 2.800 2.130 2.118 2.140     .  0 0 "[    .    1    .    2]" 1 
       733 2  1 MAN H3   2  1 MAN H5   2.650 . 3.500 2.372 2.216 2.475     .  0 0 "[    .    1    .    2]" 1 
       734 2  1 MAN H5   2  1 MAN H62  2.650 . 3.500 2.651 2.371 3.074     .  0 0 "[    .    1    .    2]" 1 
    stop_

save_



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