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
399049 1tv0 6264 cing 4-filtered-FRED Wattos check violation distance


data_1tv0


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              580
    _Distance_constraint_stats_list.Viol_count                    468
    _Distance_constraint_stats_list.Viol_total                    624.282
    _Distance_constraint_stats_list.Viol_max                      0.988
    _Distance_constraint_stats_list.Viol_rms                      0.0280
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0027
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0667
    _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 0.292 0.258  3 0 "[    .    1    .    2]" 
       1  2 LEU 0.327 0.258  3 0 "[    .    1    .    2]" 
       1  3 LEU 0.094 0.033 17 0 "[    .    1    .    2]" 
       1  4 CYS 2.626 0.519  2 1 "[ +  .    1    .    2]" 
       1  5 TYR 0.214 0.020  4 0 "[    .    1    .    2]" 
       1  6 CYS 0.662 0.066 12 0 "[    .    1    .    2]" 
       1  7 ARG 0.999 0.117  6 0 "[    .    1    .    2]" 
       1  8 LYS 1.138 0.533  3 1 "[  + .    1    .    2]" 
       1  9 GLY 2.765 0.988 11 2 "[    .    1+   .  - 2]" 
       1 10 HIS 5.420 0.988 11 4 "[    * -  1+   .  * 2]" 
       1 11 CYS 3.678 0.937  7 1 "[    . +  1    .    2]" 
       1 12 LYS 2.208 0.191 19 0 "[    .    1    .    2]" 
       1 13 ARG 3.454 0.192 17 0 "[    .    1    .    2]" 
       1 14 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 15 GLU 3.516 0.583  5 1 "[    +    1    .    2]" 
       1 16 ARG 0.617 0.099 15 0 "[    .    1    .    2]" 
       1 17 VAL 0.876 0.091  8 0 "[    .    1    .    2]" 
       1 18 ARG 1.146 0.106 19 0 "[    .    1    .    2]" 
       1 19 GLY 6.570 0.450 13 0 "[    .    1    .    2]" 
       1 20 THR 7.413 0.450 13 0 "[    .    1    .    2]" 
       1 21 CYS 0.095 0.042 16 0 "[    .    1    .    2]" 
       1 22 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 23 ILE 0.123 0.014 14 0 "[    .    1    .    2]" 
       1 24 ARG 0.993 0.192 17 0 "[    .    1    .    2]" 
       1 25 PHE 0.720 0.533  3 1 "[  + .    1    .    2]" 
       1 26 LEU 4.628 0.937  7 1 "[    . +  1    .    2]" 
       1 27 TYR 3.533 0.082 18 0 "[    .    1    .    2]" 
       1 28 CYS 1.080 0.117  6 0 "[    .    1    .    2]" 
       1 29 CYS 2.619 0.519  2 1 "[ +  .    1    .    2]" 
       1 30 PRO 1.486 0.220  6 0 "[    .    1    .    2]" 
       1 31 ARG 1.624 0.220  6 0 "[    .    1    .    2]" 
       1 32 ARG 1.396 0.192 17 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 GLY QA   1  2 LEU HB2  3.400 . 4.800 4.429 3.829 5.058 0.258  3 0 "[    .    1    .    2]" 1 
         2 1  1 GLY QA   1  2 LEU QB   5.100 . 6.000 3.957 3.372 4.326     .  0 0 "[    .    1    .    2]" 1 
         3 1  1 GLY QA   1  2 LEU H    2.900 . 3.900 2.418 2.108 2.917     .  0 0 "[    .    1    .    2]" 1 
         4 1  2 LEU H    1  2 LEU HA   2.500 . 3.300 2.759 2.569 2.807     .  0 0 "[    .    1    .    2]" 1 
         5 1  2 LEU H    1  2 LEU QB   2.800 . 3.800 2.305 1.896 2.744     .  0 0 "[    .    1    .    2]" 1 
         6 1  2 LEU HA   1  2 LEU QB   3.100 . 4.300 2.226 2.137 2.374     .  0 0 "[    .    1    .    2]" 1 
         7 1  2 LEU HA   1  2 LEU QD   3.500 . 5.000 2.542 1.971 3.418 0.029  2 0 "[    .    1    .    2]" 1 
         8 1  2 LEU HA   1  3 LEU H    2.400 . 3.100 2.457 2.144 3.106 0.006 16 0 "[    .    1    .    2]" 1 
         9 1  3 LEU H    1  3 LEU QB   2.600 . 3.500 2.365 1.874 2.905     .  0 0 "[    .    1    .    2]" 1 
        10 1  3 LEU H    1  3 LEU QD   3.800 . 5.600 3.275 1.997 4.086 0.003 15 0 "[    .    1    .    2]" 1 
        11 1  3 LEU H    1  4 CYS H    3.900 . 5.800 4.022 2.491 4.609     .  0 0 "[    .    1    .    2]" 1 
        12 1  3 LEU HA   1  3 LEU QB   2.600 . 3.400 2.274 2.144 2.383     .  0 0 "[    .    1    .    2]" 1 
        13 1  3 LEU HA   1  3 LEU QD   3.300 . 4.600 2.208 1.989 3.340 0.011 11 0 "[    .    1    .    2]" 1 
        14 1  3 LEU HA   1  4 CYS H    2.200 . 2.800 2.363 2.147 2.747     .  0 0 "[    .    1    .    2]" 1 
        15 1  3 LEU HA   1  4 CYS HB2  5.600 . 6.000 4.975 4.702 5.352     .  0 0 "[    .    1    .    2]" 1 
        16 1  3 LEU HA   1  5 TYR QE   5.000 . 6.000 5.387 4.129 5.928     .  0 0 "[    .    1    .    2]" 1 
        17 1  3 LEU HA   1 30 PRO HG2  3.900 . 5.800 5.506 4.505 5.833 0.033 17 0 "[    .    1    .    2]" 1 
        18 1  3 LEU QB   1  4 CYS H    3.600 . 5.200 3.316 1.993 4.034 0.007  9 0 "[    .    1    .    2]" 1 
        19 1  3 LEU QB   1  5 TYR QE   3.300 . 4.700 3.634 2.565 4.711 0.011 11 0 "[    .    1    .    2]" 1 
        20 1  3 LEU QD   1  4 CYS H    3.000 . 6.000 3.406 1.914 4.458     .  0 0 "[    .    1    .    2]" 1 
        21 1  3 LEU QD   1  5 TYR QD   3.500 . 6.000 5.011 3.656 5.949     .  0 0 "[    .    1    .    2]" 1 
        22 1  3 LEU QD   1  5 TYR QE   2.800 . 6.000 3.895 2.191 5.422     .  0 0 "[    .    1    .    2]" 1 
        23 1  4 CYS H    1  4 CYS HA   3.000 . 4.200 2.884 2.803 2.931     .  0 0 "[    .    1    .    2]" 1 
        24 1  4 CYS H    1  4 CYS HB2  2.600 . 3.400 2.655 2.536 2.836     .  0 0 "[    .    1    .    2]" 1 
        25 1  4 CYS H    1  4 CYS HB3  4.200 . 6.000 3.627 3.573 3.687     .  0 0 "[    .    1    .    2]" 1 
        26 1  4 CYS H    1  5 TYR H    5.500 . 6.000 4.568 4.501 4.642     .  0 0 "[    .    1    .    2]" 1 
        27 1  4 CYS H    1 27 TYR QD   5.200 . 6.000 5.848 5.160 6.041 0.041  7 0 "[    .    1    .    2]" 1 
        28 1  4 CYS H    1 27 TYR QE   6.000 . 6.000 4.488 4.036 4.815     .  0 0 "[    .    1    .    2]" 1 
        29 1  4 CYS H    1 29 CYS HA   5.900 . 6.000 4.696 4.031 5.079     .  0 0 "[    .    1    .    2]" 1 
        30 1  4 CYS HA   1  4 CYS HB2  3.000 . 4.100 3.016 2.989 3.027     .  0 0 "[    .    1    .    2]" 1 
        31 1  4 CYS HA   1  4 CYS HB3  2.300 . 2.900 2.386 2.309 2.435     .  0 0 "[    .    1    .    2]" 1 
        32 1  4 CYS HA   1  5 TYR H    2.200 . 2.800 2.401 2.220 2.646     .  0 0 "[    .    1    .    2]" 1 
        33 1  4 CYS HA   1  5 TYR QD   3.400 . 4.800 3.690 3.219 4.257     .  0 0 "[    .    1    .    2]" 1 
        34 1  4 CYS HA   1  5 TYR QE   4.900 . 6.000 4.659 4.162 5.181     .  0 0 "[    .    1    .    2]" 1 
        35 1  4 CYS HA   1 29 CYS HA   2.200 . 2.800 2.206 1.915 2.482     .  0 0 "[    .    1    .    2]" 1 
        36 1  4 CYS HA   1 29 CYS HB2  4.200 . 6.000 3.898 3.081 5.232     .  0 0 "[    .    1    .    2]" 1 
        37 1  4 CYS HA   1 30 PRO HD2  3.400 . 4.800 2.983 2.350 3.740     .  0 0 "[    .    1    .    2]" 1 
        38 1  4 CYS HB2  1  5 TYR H    3.800 . 5.600 3.467 2.862 3.915     .  0 0 "[    .    1    .    2]" 1 
        39 1  4 CYS HB2  1 27 TYR QE   2.700 . 3.600 2.364 1.943 2.820     .  0 0 "[    .    1    .    2]" 1 
        40 1  4 CYS HB2  1 29 CYS HA   5.300 . 6.000 4.492 3.782 5.138     .  0 0 "[    .    1    .    2]" 1 
        41 1  4 CYS HB3  1  5 TYR H    2.500 . 3.300 2.596 2.097 3.013     .  0 0 "[    .    1    .    2]" 1 
        42 1  4 CYS HB3  1  5 TYR QD   5.700 . 6.000 5.253 4.660 5.751     .  0 0 "[    .    1    .    2]" 1 
        43 1  4 CYS HB3  1 27 TYR QE   3.700 . 5.400 3.194 2.507 3.852     .  0 0 "[    .    1    .    2]" 1 
        44 1  4 CYS HB3  1 28 CYS H    3.500 . 5.100 3.893 3.199 4.499     .  0 0 "[    .    1    .    2]" 1 
        45 1  4 CYS HB3  1 29 CYS HA   3.300 . 4.600 3.142 2.319 3.985     .  0 0 "[    .    1    .    2]" 1 
        46 1  4 CYS HB3  1 29 CYS HB2  2.900 . 3.900 3.217 2.220 4.419 0.519  2 1 "[ +  .    1    .    2]" 1 
        47 1  4 CYS HB3  1 29 CYS HB3  3.600 . 5.200 4.219 3.915 4.825     .  0 0 "[    .    1    .    2]" 1 
        48 1  4 CYS HB3  1 30 PRO HD2  5.100 . 6.000 4.797 3.940 5.558     .  0 0 "[    .    1    .    2]" 1 
        49 1  5 TYR H    1  5 TYR HA   3.000 . 4.100 2.932 2.910 2.948     .  0 0 "[    .    1    .    2]" 1 
        50 1  5 TYR H    1  5 TYR HB2  2.600 . 3.500 2.753 2.598 2.857     .  0 0 "[    .    1    .    2]" 1 
        51 1  5 TYR H    1  5 TYR HB3  3.700 . 5.400 3.841 3.746 3.902     .  0 0 "[    .    1    .    2]" 1 
        52 1  5 TYR H    1  5 TYR QD   3.300 . 4.600 3.286 2.936 3.575     .  0 0 "[    .    1    .    2]" 1 
        53 1  5 TYR H    1  5 TYR QE   6.000 . 6.000 5.100 4.838 5.346     .  0 0 "[    .    1    .    2]" 1 
        54 1  5 TYR H    1  6 CYS H    5.800 . 6.000 4.396 4.256 4.482     .  0 0 "[    .    1    .    2]" 1 
        55 1  5 TYR H    1 27 TYR QD   5.300 . 6.000 4.896 4.446 5.269     .  0 0 "[    .    1    .    2]" 1 
        56 1  5 TYR H    1 27 TYR QE   3.600 . 5.200 4.926 4.517 5.206 0.006 15 0 "[    .    1    .    2]" 1 
        57 1  5 TYR H    1 28 CYS H    2.800 . 3.800 3.281 2.632 3.816 0.016 15 0 "[    .    1    .    2]" 1 
        58 1  5 TYR H    1 28 CYS HB3  3.900 . 5.800 3.950 2.987 5.284     .  0 0 "[    .    1    .    2]" 1 
        59 1  5 TYR H    1 29 CYS HA   3.700 . 5.400 3.310 2.788 3.844     .  0 0 "[    .    1    .    2]" 1 
        60 1  5 TYR H    1 30 PRO HD2  5.700 . 6.000 4.866 3.582 5.723     .  0 0 "[    .    1    .    2]" 1 
        61 1  5 TYR HA   1  5 TYR HB3  2.500 . 3.300 2.472 2.406 2.509     .  0 0 "[    .    1    .    2]" 1 
        62 1  5 TYR HA   1  5 TYR QD   3.100 . 4.300 2.698 2.393 2.913     .  0 0 "[    .    1    .    2]" 1 
        63 1  5 TYR HA   1  5 TYR QE   3.400 . 4.800 4.590 4.484 4.676     .  0 0 "[    .    1    .    2]" 1 
        64 1  5 TYR HA   1  6 CYS H    2.200 . 2.800 2.310 2.166 2.592     .  0 0 "[    .    1    .    2]" 1 
        65 1  5 TYR HA   1  6 CYS HA   5.400 . 6.000 4.361 4.329 4.460     .  0 0 "[    .    1    .    2]" 1 
        66 1  5 TYR HA   1  6 CYS HB3  5.700 . 6.000 4.784 4.214 5.744     .  0 0 "[    .    1    .    2]" 1 
        67 1  5 TYR HA   1 27 TYR QE   3.300 . 6.000 4.944 4.366 5.462     .  0 0 "[    .    1    .    2]" 1 
        68 1  5 TYR HB2  1  5 TYR QD   2.500 . 3.300 2.328 2.279 2.388     .  0 0 "[    .    1    .    2]" 1 
        69 1  5 TYR HB2  1  6 CYS H    4.600 . 6.000 3.788 3.166 4.108     .  0 0 "[    .    1    .    2]" 1 
        70 1  5 TYR HB2  1  7 ARG HB2  4.100 . 6.000 5.767 5.175 6.020 0.020  4 0 "[    .    1    .    2]" 1 
        71 1  5 TYR HB2  1  7 ARG HE   3.700 . 5.400 3.724 2.965 5.072     .  0 0 "[    .    1    .    2]" 1 
        72 1  5 TYR HB2  1  7 ARG QG   3.300 . 4.700 3.551 3.211 4.382     .  0 0 "[    .    1    .    2]" 1 
        73 1  5 TYR HB2  1  7 ARG QH   4.200 . 6.000 3.749 2.252 4.896     .  0 0 "[    .    1    .    2]" 1 
        74 1  5 TYR HB2  1 28 CYS H    4.200 . 6.000 4.560 4.019 4.974     .  0 0 "[    .    1    .    2]" 1 
        75 1  5 TYR HB3  1  5 TYR QD   2.500 . 3.300 2.499 2.407 2.622     .  0 0 "[    .    1    .    2]" 1 
        76 1  5 TYR HB3  1  6 CYS H    2.600 . 3.500 2.426 2.031 3.074     .  0 0 "[    .    1    .    2]" 1 
        77 1  5 TYR HB3  1  7 ARG HE   3.600 . 5.200 4.459 3.694 5.216 0.016 11 0 "[    .    1    .    2]" 1 
        78 1  5 TYR HB3  1  7 ARG QG   3.000 . 4.100 3.818 3.141 4.106 0.006  1 0 "[    .    1    .    2]" 1 
        79 1  5 TYR HB3  1  7 ARG HG3  3.100 . 4.300 2.990 2.232 3.876     .  0 0 "[    .    1    .    2]" 1 
        80 1  5 TYR HB3  1  7 ARG QH   4.000 . 6.000 4.142 1.980 5.327 0.020 11 0 "[    .    1    .    2]" 1 
        81 1  5 TYR QD   1  6 CYS H    4.400 . 6.000 3.789 3.537 4.266     .  0 0 "[    .    1    .    2]" 1 
        82 1  5 TYR QD   1  7 ARG QD   5.200 . 6.000 5.654 4.635 6.019 0.019  6 0 "[    .    1    .    2]" 1 
        83 1  5 TYR QD   1  7 ARG HE   4.700 . 6.000 4.715 3.982 5.808     .  0 0 "[    .    1    .    2]" 1 
        84 1  5 TYR QD   1  7 ARG QG   4.900 . 6.000 5.023 4.778 5.591     .  0 0 "[    .    1    .    2]" 1 
        85 1  5 TYR QD   1  7 ARG QH   3.800 . 5.600 3.913 2.346 4.628     .  0 0 "[    .    1    .    2]" 1 
        86 1  5 TYR QD   1  7 ARG HH12 3.400 . 4.800 3.952 2.370 4.683     .  0 0 "[    .    1    .    2]" 1 
        87 1  5 TYR QD   1 29 CYS HA   4.800 . 6.000 4.330 3.828 4.896     .  0 0 "[    .    1    .    2]" 1 
        88 1  5 TYR QD   1 30 PRO HD2  4.400 . 6.000 4.638 2.785 5.611     .  0 0 "[    .    1    .    2]" 1 
        89 1  5 TYR QD   1 30 PRO HD3  4.100 . 6.000 3.449 2.449 4.179     .  0 0 "[    .    1    .    2]" 1 
        90 1  5 TYR QD   1 30 PRO HG3  4.700 . 6.000 4.194 2.996 5.448     .  0 0 "[    .    1    .    2]" 1 
        91 1  5 TYR QE   1 30 PRO HD2  4.600 . 6.000 4.813 3.801 5.790     .  0 0 "[    .    1    .    2]" 1 
        92 1  5 TYR QE   1 30 PRO HD3  4.400 . 6.000 4.046 3.357 4.953     .  0 0 "[    .    1    .    2]" 1 
        93 1  5 TYR QE   1 30 PRO HG2  4.700 . 6.000 4.549 3.258 5.837     .  0 0 "[    .    1    .    2]" 1 
        94 1  5 TYR QE   1 30 PRO HG3  3.900 . 5.800 3.531 2.035 4.888     .  0 0 "[    .    1    .    2]" 1 
        95 1  6 CYS H    1  6 CYS HB3  2.700 . 3.600 2.680 2.209 3.666 0.066 12 0 "[    .    1    .    2]" 1 
        96 1  6 CYS H    1  7 ARG H    5.400 . 6.000 4.467 4.257 4.548     .  0 0 "[    .    1    .    2]" 1 
        97 1  6 CYS H    1 27 TYR QD   5.100 . 6.000 5.425 4.523 5.875     .  0 0 "[    .    1    .    2]" 1 
        98 1  6 CYS H    1 27 TYR QE   3.600 . 5.200 4.865 4.076 5.231 0.031 15 0 "[    .    1    .    2]" 1 
        99 1  6 CYS HA   1  6 CYS HB2  2.700 . 3.600 2.531 2.266 3.028     .  0 0 "[    .    1    .    2]" 1 
       100 1  6 CYS HA   1  6 CYS HB3  3.000 . 4.100 2.842 2.428 3.026     .  0 0 "[    .    1    .    2]" 1 
       101 1  6 CYS HA   1  7 ARG H    2.100 . 2.700 2.163 2.129 2.215     .  0 0 "[    .    1    .    2]" 1 
       102 1  6 CYS HA   1  7 ARG HA   5.500 . 6.000 4.407 4.380 4.442     .  0 0 "[    .    1    .    2]" 1 
       103 1  6 CYS HA   1  7 ARG HB2  5.000 . 6.000 4.471 4.228 4.613     .  0 0 "[    .    1    .    2]" 1 
       104 1  6 CYS HA   1  7 ARG HD3  4.200 . 6.000 3.390 3.060 4.172     .  0 0 "[    .    1    .    2]" 1 
       105 1  6 CYS HA   1  7 ARG QG   5.200 . 6.000 3.951 3.787 4.616     .  0 0 "[    .    1    .    2]" 1 
       106 1  6 CYS HA   1 26 LEU H    5.000 . 6.000 4.718 4.264 5.570     .  0 0 "[    .    1    .    2]" 1 
       107 1  6 CYS HA   1 26 LEU QB   5.600 . 6.000 5.927 5.493 6.065 0.065  4 0 "[    .    1    .    2]" 1 
       108 1  6 CYS HA   1 27 TYR H    5.800 . 6.000 5.497 4.821 5.776     .  0 0 "[    .    1    .    2]" 1 
       109 1  6 CYS HA   1 27 TYR HA   2.600 . 3.500 2.995 2.387 3.281     .  0 0 "[    .    1    .    2]" 1 
       110 1  6 CYS HA   1 27 TYR HB2  6.000 . 6.000 5.417 4.945 5.740     .  0 0 "[    .    1    .    2]" 1 
       111 1  6 CYS HA   1 27 TYR QD   3.300 . 4.700 3.506 3.022 3.902     .  0 0 "[    .    1    .    2]" 1 
       112 1  6 CYS HA   1 28 CYS H    3.400 . 4.800 3.432 2.464 3.876     .  0 0 "[    .    1    .    2]" 1 
       113 1  6 CYS HB2  1  7 ARG H    4.500 . 6.000 4.079 3.321 4.403     .  0 0 "[    .    1    .    2]" 1 
       114 1  6 CYS HB2  1 21 CYS HB3  3.600 . 5.200 3.921 2.126 4.409     .  0 0 "[    .    1    .    2]" 1 
       115 1  6 CYS HB2  1 27 TYR QE   4.500 . 6.000 3.742 2.460 5.665     .  0 0 "[    .    1    .    2]" 1 
       116 1  6 CYS HB3  1  7 ARG H    3.700 . 5.400 4.079 3.151 4.475     .  0 0 "[    .    1    .    2]" 1 
       117 1  6 CYS HB3  1 21 CYS HB3  2.600 . 3.500 2.202 1.840 2.645     .  0 0 "[    .    1    .    2]" 1 
       118 1  6 CYS HB3  1 27 TYR QD   2.700 . 6.000 5.010 2.139 5.872     .  0 0 "[    .    1    .    2]" 1 
       119 1  6 CYS HB3  1 27 TYR QE   3.200 . 6.000 4.620 2.665 5.556     .  0 0 "[    .    1    .    2]" 1 
       120 1  7 ARG H    1  7 ARG HB2  2.500 . 3.300 2.655 2.455 2.828     .  0 0 "[    .    1    .    2]" 1 
       121 1  7 ARG H    1  7 ARG HB3  3.500 . 5.100 3.778 3.649 3.884     .  0 0 "[    .    1    .    2]" 1 
       122 1  7 ARG H    1  7 ARG QD   4.600 . 6.000 3.876 3.485 4.190     .  0 0 "[    .    1    .    2]" 1 
       123 1  7 ARG H    1  7 ARG QG   3.500 . 5.000 3.124 2.605 3.705     .  0 0 "[    .    1    .    2]" 1 
       124 1  7 ARG H    1  8 LYS H    5.400 . 6.000 4.425 4.250 4.557     .  0 0 "[    .    1    .    2]" 1 
       125 1  7 ARG H    1 25 PHE HA   5.000 . 6.000 5.146 4.727 5.608     .  0 0 "[    .    1    .    2]" 1 
       126 1  7 ARG H    1 25 PHE HB2  5.300 . 6.000 5.660 5.338 6.011 0.011 18 0 "[    .    1    .    2]" 1 
       127 1  7 ARG H    1 25 PHE QD   4.200 . 6.000 4.374 3.410 5.010     .  0 0 "[    .    1    .    2]" 1 
       128 1  7 ARG H    1 26 LEU H    2.900 . 3.900 3.301 2.922 3.822     .  0 0 "[    .    1    .    2]" 1 
       129 1  7 ARG H    1 26 LEU HA   5.500 . 6.000 5.201 5.040 5.398     .  0 0 "[    .    1    .    2]" 1 
       130 1  7 ARG H    1 27 TYR HA   3.700 . 5.400 3.614 3.053 3.877     .  0 0 "[    .    1    .    2]" 1 
       131 1  7 ARG H    1 27 TYR QD   5.700 . 6.000 4.756 4.334 5.267     .  0 0 "[    .    1    .    2]" 1 
       132 1  7 ARG H    1 28 CYS H    4.300 . 6.000 3.901 3.256 4.278     .  0 0 "[    .    1    .    2]" 1 
       133 1  7 ARG HA   1  7 ARG HB2  2.700 . 3.600 3.016 2.976 3.024     .  0 0 "[    .    1    .    2]" 1 
       134 1  7 ARG HA   1  7 ARG HB3  2.500 . 3.300 2.525 2.473 2.666     .  0 0 "[    .    1    .    2]" 1 
       135 1  7 ARG HA   1  7 ARG HE   6.000 . 6.000 5.114 4.561 5.676     .  0 0 "[    .    1    .    2]" 1 
       136 1  7 ARG HA   1  7 ARG QG   3.300 . 4.600 2.515 2.181 2.860     .  0 0 "[    .    1    .    2]" 1 
       137 1  7 ARG HA   1  8 LYS H    2.300 . 3.000 2.487 2.158 2.661     .  0 0 "[    .    1    .    2]" 1 
       138 1  7 ARG HB2  1  7 ARG QD   2.300 . 3.000 2.332 2.003 2.892     .  0 0 "[    .    1    .    2]" 1 
       139 1  7 ARG HB2  1  7 ARG QD   2.200 . 2.800 2.088 1.898 2.554     .  0 0 "[    .    1    .    2]" 1 
       140 1  7 ARG HB2  1  7 ARG HE   4.400 . 6.000 4.526 4.246 4.729     .  0 0 "[    .    1    .    2]" 1 
       141 1  7 ARG HB2  1  7 ARG QG   2.000 . 2.500 2.266 2.157 2.509 0.009 11 0 "[    .    1    .    2]" 1 
       142 1  7 ARG HB2  1  7 ARG HH11 3.600 . 5.200 4.741 3.771 5.315 0.115 18 0 "[    .    1    .    2]" 1 
       143 1  7 ARG HB2  1  8 LYS H    4.100 . 6.000 3.536 3.211 4.287     .  0 0 "[    .    1    .    2]" 1 
       144 1  7 ARG HB2  1 10 HIS H    5.100 . 6.000 5.551 4.956 6.018 0.018 20 0 "[    .    1    .    2]" 1 
       145 1  7 ARG HB2  1 11 CYS HA   3.200 . 4.500 4.070 3.557 4.518 0.018  8 0 "[    .    1    .    2]" 1 
       146 1  7 ARG HB2  1 26 LEU H    3.900 . 5.800 4.441 4.004 4.972     .  0 0 "[    .    1    .    2]" 1 
       147 1  7 ARG HB2  1 28 CYS HB2  2.800 . 3.800 3.420 2.693 3.917 0.117  6 0 "[    .    1    .    2]" 1 
       148 1  7 ARG HB3  1  7 ARG HE   4.800 . 6.000 4.489 4.292 4.738     .  0 0 "[    .    1    .    2]" 1 
       149 1  7 ARG HB3  1  7 ARG QG   1.900 . 2.300 2.132 2.020 2.180     .  0 0 "[    .    1    .    2]" 1 
       150 1  7 ARG HB3  1  7 ARG HH11 4.400 . 6.000 4.151 3.396 4.658     .  0 0 "[    .    1    .    2]" 1 
       151 1  7 ARG HB3  1  8 LYS H    2.600 . 3.400 2.272 1.937 3.304     .  0 0 "[    .    1    .    2]" 1 
       152 1  7 ARG HB3  1 10 HIS H    3.900 . 5.800 4.661 3.911 5.473     .  0 0 "[    .    1    .    2]" 1 
       153 1  7 ARG QD   1  7 ARG QH1  2.600 . 3.500 1.757 1.669 2.050 0.031 16 0 "[    .    1    .    2]" 1 
       154 1  7 ARG QD   1  8 LYS H    5.300 . 6.000 3.862 3.176 5.205     .  0 0 "[    .    1    .    2]" 1 
       155 1  7 ARG QD   1 11 CYS H    5.300 . 6.000 4.875 4.042 5.777     .  0 0 "[    .    1    .    2]" 1 
       156 1  7 ARG QD   1 11 CYS HA   2.500 . 3.300 2.656 1.921 3.306 0.006 18 0 "[    .    1    .    2]" 1 
       157 1  7 ARG QD   1 12 LYS H    3.300 . 4.600 3.565 2.842 4.180     .  0 0 "[    .    1    .    2]" 1 
       158 1  7 ARG QD   1 12 LYS QG   3.400 . 4.900 4.167 3.402 4.888     .  0 0 "[    .    1    .    2]" 1 
       159 1  7 ARG HE   1  7 ARG QG   3.100 . 4.300 2.467 2.269 2.859     .  0 0 "[    .    1    .    2]" 1 
       160 1  7 ARG HE   1  7 ARG HH12 2.800 . 3.800 2.239 2.236 2.246     .  0 0 "[    .    1    .    2]" 1 
       161 1  7 ARG HE   1 11 CYS HA   3.700 . 5.400 4.398 3.762 4.689     .  0 0 "[    .    1    .    2]" 1 
       162 1  7 ARG HE   1 11 CYS QB   4.800 . 6.000 4.343 3.832 5.071     .  0 0 "[    .    1    .    2]" 1 
       163 1  7 ARG HE   1 12 LYS H    3.100 . 4.300 4.168 3.813 4.328 0.028 15 0 "[    .    1    .    2]" 1 
       164 1  7 ARG HE   1 12 LYS QB   5.600 . 6.000 5.382 4.429 6.008 0.008  7 0 "[    .    1    .    2]" 1 
       165 1  7 ARG HE   1 12 LYS QD   4.600 . 6.000 4.861 3.571 5.855     .  0 0 "[    .    1    .    2]" 1 
       166 1  7 ARG HE   1 12 LYS QG   3.000 . 4.100 3.836 3.329 4.109 0.009  3 0 "[    .    1    .    2]" 1 
       167 1  7 ARG QG   1  7 ARG QH1  3.900 . 5.800 3.163 1.988 3.671 0.012 11 0 "[    .    1    .    2]" 1 
       168 1  7 ARG QG   1 11 CYS HA   4.300 . 6.000 3.900 2.662 4.675     .  0 0 "[    .    1    .    2]" 1 
       169 1  7 ARG QG   1 28 CYS H    4.400 . 6.000 4.207 3.426 5.454     .  0 0 "[    .    1    .    2]" 1 
       170 1  7 ARG QH1  1 11 CYS HA   5.500 . 6.000 4.192 2.011 5.617     .  0 0 "[    .    1    .    2]" 1 
       171 1  7 ARG HH11 1 12 LYS QG   3.500 . 5.100 3.623 2.712 4.477     .  0 0 "[    .    1    .    2]" 1 
       172 1  8 LYS H    1  8 LYS HA   2.900 . 4.000 2.939 2.907 2.950     .  0 0 "[    .    1    .    2]" 1 
       173 1  8 LYS H    1  8 LYS QB   2.500 . 3.300 2.487 2.237 2.675     .  0 0 "[    .    1    .    2]" 1 
       174 1  8 LYS H    1  8 LYS QD   3.700 . 5.400 4.720 4.413 5.178     .  0 0 "[    .    1    .    2]" 1 
       175 1  8 LYS H    1  8 LYS QG   4.400 . 6.000 4.055 3.886 4.151     .  0 0 "[    .    1    .    2]" 1 
       176 1  8 LYS H    1  9 GLY H    4.400 . 6.000 4.273 3.818 4.534     .  0 0 "[    .    1    .    2]" 1 
       177 1  8 LYS H    1 25 PHE QD   4.200 . 6.000 4.128 3.499 4.438     .  0 0 "[    .    1    .    2]" 1 
       178 1  8 LYS H    1 25 PHE QE   5.800 . 6.000 5.027 4.093 5.615     .  0 0 "[    .    1    .    2]" 1 
       179 1  8 LYS HA   1  8 LYS QB   2.500 . 3.300 2.360 2.321 2.517     .  0 0 "[    .    1    .    2]" 1 
       180 1  8 LYS HA   1  8 LYS QD   3.900 . 5.800 3.973 2.073 4.276     .  0 0 "[    .    1    .    2]" 1 
       181 1  8 LYS HA   1  8 LYS QG   2.700 . 3.600 2.500 2.246 3.092     .  0 0 "[    .    1    .    2]" 1 
       182 1  8 LYS HA   1  9 GLY H    2.100 . 2.600 2.198 2.138 2.729 0.129 14 0 "[    .    1    .    2]" 1 
       183 1  8 LYS HA   1  9 GLY HA3  5.100 . 6.000 4.429 4.368 4.811     .  0 0 "[    .    1    .    2]" 1 
       184 1  8 LYS HA   1 25 PHE QD   3.000 . 4.100 2.195 1.911 3.432     .  0 0 "[    .    1    .    2]" 1 
       185 1  8 LYS HA   1 25 PHE HA   2.600 . 3.500 2.418 1.865 3.005     .  0 0 "[    .    1    .    2]" 1 
       186 1  8 LYS HA   1 25 PHE QE   3.500 . 5.000 4.500 3.732 5.001 0.001  7 0 "[    .    1    .    2]" 1 
       187 1  8 LYS HA   1 26 LEU H    3.600 . 5.200 3.382 2.479 3.819     .  0 0 "[    .    1    .    2]" 1 
       188 1  8 LYS QB   1  8 LYS QD   2.200 . 2.800 2.197 2.116 2.401     .  0 0 "[    .    1    .    2]" 1 
       189 1  8 LYS QB   1  8 LYS QG   2.100 . 2.700 2.082 1.987 2.091     .  0 0 "[    .    1    .    2]" 1 
       190 1  8 LYS QB   1  9 GLY H    4.700 . 6.000 3.704 2.212 4.007     .  0 0 "[    .    1    .    2]" 1 
       191 1  8 LYS QB   1 25 PHE QD   3.500 . 5.000 2.585 2.042 3.738     .  0 0 "[    .    1    .    2]" 1 
       192 1  8 LYS QD   1  9 GLY H    5.300 . 6.000 4.657 2.025 5.429     .  0 0 "[    .    1    .    2]" 1 
       193 1  8 LYS QD   1 25 PHE QD   4.700 . 6.000 4.188 3.466 5.208     .  0 0 "[    .    1    .    2]" 1 
       194 1  8 LYS QD   1 25 PHE QE   3.300 . 4.600 3.257 2.242 4.606 0.006  3 0 "[    .    1    .    2]" 1 
       195 1  8 LYS QE   1  8 LYS QG   3.200 . 4.400 2.361 2.134 2.784     .  0 0 "[    .    1    .    2]" 1 
       196 1  8 LYS QE   1 24 ARG QG   3.000 . 4.100 3.297 1.890 4.110 0.010 12 0 "[    .    1    .    2]" 1 
       197 1  8 LYS QG   1 24 ARG HG3  2.200 . 2.800 2.642 2.153 2.830 0.030  3 0 "[    .    1    .    2]" 1 
       198 1  8 LYS QG   1  9 GLY H    3.100 . 4.300 2.852 1.851 3.520 0.049 14 0 "[    .    1    .    2]" 1 
       199 1  8 LYS QG   1  9 GLY HA2  4.100 . 6.000 3.850 3.409 4.287     .  0 0 "[    .    1    .    2]" 1 
       200 1  8 LYS QG   1  9 GLY HA3  4.200 . 6.000 3.547 3.236 3.902     .  0 0 "[    .    1    .    2]" 1 
       201 1  8 LYS QG   1 10 HIS H    5.400 . 6.000 4.960 4.281 5.453     .  0 0 "[    .    1    .    2]" 1 
       202 1  8 LYS HG2  1  9 GLY HA3  3.700 . 5.400 3.720 3.290 5.541 0.141  3 0 "[    .    1    .    2]" 1 
       203 1  8 LYS HG3  1 25 PHE QD   3.600 . 5.300 3.797 2.933 5.433 0.133  3 0 "[    .    1    .    2]" 1 
       204 1  8 LYS HG3  1 25 PHE QE   3.300 . 4.700 3.912 2.450 5.233 0.533  3 1 "[  + .    1    .    2]" 1 
       205 1  9 GLY H    1  9 GLY HA2  2.600 . 3.500 2.375 2.298 2.692     .  0 0 "[    .    1    .    2]" 1 
       206 1  9 GLY H    1  9 GLY HA3  2.700 . 3.600 2.881 2.312 2.954     .  0 0 "[    .    1    .    2]" 1 
       207 1  9 GLY H    1 10 HIS H    4.300 . 6.000 3.932 3.009 4.311     .  0 0 "[    .    1    .    2]" 1 
       208 1  9 GLY H    1 25 PHE HA   3.700 . 5.400 3.334 2.754 4.637     .  0 0 "[    .    1    .    2]" 1 
       209 1  9 GLY H    1 25 PHE QD   6.000 . 6.000 5.043 4.363 5.960     .  0 0 "[    .    1    .    2]" 1 
       210 1  9 GLY H    1 26 LEU H    4.800 . 6.000 4.324 3.571 4.984     .  0 0 "[    .    1    .    2]" 1 
       211 1  9 GLY H    1 26 LEU QB   4.700 . 6.000 4.571 3.827 5.817     .  0 0 "[    .    1    .    2]" 1 
       212 1  9 GLY H    1 26 LEU MD1  4.300 . 6.000 3.834 2.074 4.731     .  0 0 "[    .    1    .    2]" 1 
       213 1  9 GLY HA2  1 10 HIS H    3.600 . 5.200 3.496 3.346 3.569     .  0 0 "[    .    1    .    2]" 1 
       214 1  9 GLY HA2  1 10 HIS HD1  5.200 . 6.000 5.174 3.222 6.988 0.988 11 2 "[    .    1+   .  - 2]" 1 
       215 1  9 GLY HA3  1 10 HIS H    2.800 . 3.800 2.285 2.084 2.753     .  0 0 "[    .    1    .    2]" 1 
       216 1  9 GLY HA3  1 26 LEU MD1  2.700 . 6.000 4.379 3.307 5.149     .  0 0 "[    .    1    .    2]" 1 
       217 1 10 HIS H    1 10 HIS HA   3.000 . 4.100 2.906 2.840 2.948     .  0 0 "[    .    1    .    2]" 1 
       218 1 10 HIS H    1 10 HIS HB2  3.700 . 5.400 3.369 2.186 4.024     .  0 0 "[    .    1    .    2]" 1 
       219 1 10 HIS H    1 10 HIS HD1  4.900 . 6.000 3.698 2.072 5.290     .  0 0 "[    .    1    .    2]" 1 
       220 1 10 HIS H    1 11 CYS H    5.000 . 6.000 4.311 3.930 4.572     .  0 0 "[    .    1    .    2]" 1 
       221 1 10 HIS H    1 26 LEU MD1  4.300 . 6.000 4.488 3.820 5.216     .  0 0 "[    .    1    .    2]" 1 
       222 1 10 HIS HA   1 10 HIS HB2  2.700 . 3.600 2.585 2.418 2.936     .  0 0 "[    .    1    .    2]" 1 
       223 1 10 HIS HA   1 10 HIS HB3  2.700 . 3.600 2.675 2.338 3.015     .  0 0 "[    .    1    .    2]" 1 
       224 1 10 HIS HA   1 10 HIS HE1  4.100 . 6.000 5.489 4.706 6.156 0.156 18 0 "[    .    1    .    2]" 1 
       225 1 10 HIS HA   1 11 CYS H    2.200 . 2.800 2.269 2.142 2.520     .  0 0 "[    .    1    .    2]" 1 
       226 1 10 HIS HA   1 11 CYS QB   5.400 . 6.000 4.142 3.944 4.609     .  0 0 "[    .    1    .    2]" 1 
       227 1 10 HIS HA   1 15 GLU HB2  4.600 . 6.000 5.646 5.009 6.583 0.583  5 1 "[    +    1    .    2]" 1 
       228 1 10 HIS HA   1 26 LEU MD1  2.700 . 6.000 3.148 1.884 4.309     .  0 0 "[    .    1    .    2]" 1 
       229 1 10 HIS HA   1 26 LEU MD2  3.500 . 5.100 3.518 2.721 4.405     .  0 0 "[    .    1    .    2]" 1 
       230 1 10 HIS HB2  1 11 CYS H    3.200 . 4.500 3.527 2.177 4.461     .  0 0 "[    .    1    .    2]" 1 
       231 1 10 HIS HB2  1 26 LEU MD1  5.500 . 6.000 5.147 3.665 6.219 0.219  5 0 "[    .    1    .    2]" 1 
       232 1 10 HIS HB3  1 11 CYS H    3.800 . 5.600 3.750 2.355 4.299     .  0 0 "[    .    1    .    2]" 1 
       233 1 10 HIS HB3  1 26 LEU MD1  4.700 . 6.000 5.202 3.811 6.520 0.520  7 1 "[    . +  1    .    2]" 1 
       234 1 10 HIS HD1  1 12 LYS HA   4.900 . 6.000 4.857 3.858 6.018 0.018  7 0 "[    .    1    .    2]" 1 
       235 1 11 CYS H    1 11 CYS QB   3.100 . 3.400 2.426 2.262 2.707     .  0 0 "[    .    1    .    2]" 1 
       236 1 11 CYS H    1 12 LYS H    4.300 . 6.000 4.511 4.337 4.608     .  0 0 "[    .    1    .    2]" 1 
       237 1 11 CYS H    1 15 GLU QG   4.500 . 6.000 2.191 1.595 3.769 0.405  4 0 "[    .    1    .    2]" 1 
       238 1 11 CYS H    1 26 LEU QD   3.500 . 5.000 3.426 2.439 4.452     .  0 0 "[    .    1    .    2]" 1 
       239 1 11 CYS HA   1 11 CYS QB   2.600 . 3.400 2.376 2.294 2.446     .  0 0 "[    .    1    .    2]" 1 
       240 1 11 CYS HA   1 12 LYS H    2.300 . 3.000 2.498 2.237 2.726     .  0 0 "[    .    1    .    2]" 1 
       241 1 11 CYS HA   1 12 LYS QG   5.000 . 6.000 4.035 3.516 4.389     .  0 0 "[    .    1    .    2]" 1 
       242 1 11 CYS HA   1 15 GLU QG   4.500 . 6.000 3.976 3.681 4.610     .  0 0 "[    .    1    .    2]" 1 
       243 1 11 CYS HA   1 26 LEU MD1  4.500 . 6.000 5.150 4.118 6.937 0.937  7 1 "[    . +  1    .    2]" 1 
       244 1 11 CYS QB   1 12 LYS H    2.900 . 3.900 2.858 1.886 3.348 0.014 16 0 "[    .    1    .    2]" 1 
       245 1 11 CYS QB   1 12 LYS QG   5.500 . 6.000 4.031 3.098 4.808     .  0 0 "[    .    1    .    2]" 1 
       246 1 11 CYS QB   1 15 GLU H    4.400 . 6.000 3.790 2.763 4.728     .  0 0 "[    .    1    .    2]" 1 
       247 1 11 CYS QB   1 15 GLU HB2  4.100 . 6.000 4.266 3.870 4.549     .  0 0 "[    .    1    .    2]" 1 
       248 1 11 CYS QB   1 15 GLU HB3  4.700 . 6.000 3.794 2.782 4.250     .  0 0 "[    .    1    .    2]" 1 
       249 1 11 CYS QB   1 15 GLU QG   2.600 . 2.800 1.768 1.632 1.887 0.068 14 0 "[    .    1    .    2]" 1 
       250 1 11 CYS QB   1 15 GLU QG   2.700 . 3.600 1.766 1.631 1.884 0.169 14 0 "[    .    1    .    2]" 1 
       251 1 11 CYS QB   1 28 CYS HB2  3.400 . 4.800 2.473 1.960 3.676 0.040 11 0 "[    .    1    .    2]" 1 
       252 1 11 CYS QB   1 28 CYS HB3  3.000 . 4.100 3.094 2.054 3.620     .  0 0 "[    .    1    .    2]" 1 
       253 1 12 LYS H    1 12 LYS HA   2.900 . 4.000 2.886 2.820 2.949     .  0 0 "[    .    1    .    2]" 1 
       254 1 12 LYS H    1 12 LYS QB   3.300 . 4.700 2.724 2.531 2.983     .  0 0 "[    .    1    .    2]" 1 
       255 1 12 LYS H    1 12 LYS QD   4.400 . 6.000 3.859 3.005 4.249     .  0 0 "[    .    1    .    2]" 1 
       256 1 12 LYS H    1 12 LYS QG   2.100 . 2.600 1.948 1.622 2.214     .  0 0 "[    .    1    .    2]" 1 
       257 1 12 LYS H    1 15 GLU QG   3.400 . 4.800 4.465 4.199 4.653     .  0 0 "[    .    1    .    2]" 1 
       258 1 12 LYS H    1 28 CYS HB2  5.000 . 6.000 5.111 4.425 5.995     .  0 0 "[    .    1    .    2]" 1 
       259 1 12 LYS HA   1 12 LYS QG   3.000 . 4.100 3.319 3.093 3.348     .  0 0 "[    .    1    .    2]" 1 
       260 1 12 LYS HA   1 13 ARG HB2  3.200 . 6.000 5.833 4.823 6.092 0.092  9 0 "[    .    1    .    2]" 1 
       261 1 12 LYS HA   1 13 ARG HB3  3.200 . 6.000 5.154 4.549 6.191 0.191 19 0 "[    .    1    .    2]" 1 
       262 1 12 LYS QB   1 12 LYS QE   4.600 . 6.000 3.060 1.989 3.824 0.011 12 0 "[    .    1    .    2]" 1 
       263 1 12 LYS QB   1 12 LYS QG   1.800 . 2.200 2.083 2.004 2.089     .  0 0 "[    .    1    .    2]" 1 
       264 1 12 LYS QD   1 12 LYS QG   2.000 . 2.500 2.063 2.014 2.093     .  0 0 "[    .    1    .    2]" 1 
       265 1 12 LYS QE   1 12 LYS QG   3.200 . 4.500 2.325 2.135 2.719     .  0 0 "[    .    1    .    2]" 1 
       266 1 12 LYS QG   1 13 ARG H    3.100 . 4.300 2.481 1.858 3.754 0.042  8 0 "[    .    1    .    2]" 1 
       267 1 12 LYS QG   1 15 GLU QG   3.000 . 6.000 5.445 5.069 5.726     .  0 0 "[    .    1    .    2]" 1 
       268 1 12 LYS HG3  1 13 ARG QD   2.600 . 3.400 3.262 1.707 3.484 0.093 17 0 "[    .    1    .    2]" 1 
       269 1 13 ARG H    1 13 ARG HA   2.600 . 3.400 2.850 2.797 2.940     .  0 0 "[    .    1    .    2]" 1 
       270 1 13 ARG H    1 13 ARG HB3  2.800 . 3.800 3.587 3.227 3.935 0.135 19 0 "[    .    1    .    2]" 1 
       271 1 13 ARG H    1 13 ARG QD   4.600 . 6.000 4.154 1.996 4.732 0.004 18 0 "[    .    1    .    2]" 1 
       272 1 13 ARG H    1 14 GLY H    4.000 . 6.000 3.773 2.522 4.317     .  0 0 "[    .    1    .    2]" 1 
       273 1 13 ARG HA   1 13 ARG HB2  2.600 . 3.400 2.612 2.391 3.017     .  0 0 "[    .    1    .    2]" 1 
       274 1 13 ARG HA   1 13 ARG HB3  2.500 . 3.300 2.487 2.295 2.965     .  0 0 "[    .    1    .    2]" 1 
       275 1 13 ARG HA   1 13 ARG QD   4.900 . 6.000 4.070 2.002 4.577     .  0 0 "[    .    1    .    2]" 1 
       276 1 13 ARG HA   1 14 GLY H    2.200 . 2.800 2.237 2.141 2.722     .  0 0 "[    .    1    .    2]" 1 
       277 1 13 ARG HA   1 15 GLU H    3.800 . 5.600 4.276 3.497 5.594     .  0 0 "[    .    1    .    2]" 1 
       278 1 13 ARG HB2  1 13 ARG QD   2.800 . 3.800 2.665 2.166 3.256     .  0 0 "[    .    1    .    2]" 1 
       279 1 13 ARG HB2  1 13 ARG HE   3.600 . 5.200 2.129 1.808 2.952 0.192 17 0 "[    .    1    .    2]" 1 
       280 1 13 ARG HB2  1 13 ARG HG2  2.200 . 2.800 2.010 1.921 2.067     .  0 0 "[    .    1    .    2]" 1 
       281 1 13 ARG HB2  1 14 GLY H    4.300 . 6.000 3.782 2.938 4.565     .  0 0 "[    .    1    .    2]" 1 
       282 1 13 ARG HB3  1 14 GLY H    4.000 . 6.000 4.112 2.940 4.645     .  0 0 "[    .    1    .    2]" 1 
       283 1 13 ARG HE   1 13 ARG QG   2.800 . 3.700 1.905 1.829 2.007 0.071 14 0 "[    .    1    .    2]" 1 
       284 1 14 GLY H    1 14 GLY HA2  2.600 . 3.500 2.403 2.292 2.798     .  0 0 "[    .    1    .    2]" 1 
       285 1 14 GLY H    1 14 GLY HA3  3.000 . 4.100 2.903 2.778 2.954     .  0 0 "[    .    1    .    2]" 1 
       286 1 14 GLY H    1 15 GLU H    2.700 . 3.600 2.490 1.893 3.332     .  0 0 "[    .    1    .    2]" 1 
       287 1 14 GLY HA2  1 15 GLU H    3.300 . 4.600 2.691 2.323 3.051     .  0 0 "[    .    1    .    2]" 1 
       288 1 14 GLY HA3  1 15 GLU H    3.700 . 5.400 3.110 2.938 3.262     .  0 0 "[    .    1    .    2]" 1 
       289 1 15 GLU H    1 15 GLU HA   2.900 . 4.000 2.859 2.791 2.935     .  0 0 "[    .    1    .    2]" 1 
       290 1 15 GLU H    1 15 GLU HB2  2.900 . 4.000 2.547 2.346 2.900     .  0 0 "[    .    1    .    2]" 1 
       291 1 15 GLU H    1 15 GLU HB3  3.800 . 5.600 3.610 3.562 3.695     .  0 0 "[    .    1    .    2]" 1 
       292 1 15 GLU H    1 15 GLU QG   2.500 . 3.300 2.631 2.108 3.125     .  0 0 "[    .    1    .    2]" 1 
       293 1 15 GLU H    1 16 ARG H    5.300 . 6.000 4.451 4.145 4.630     .  0 0 "[    .    1    .    2]" 1 
       294 1 15 GLU H    1 16 ARG QD   4.900 . 6.000 5.653 5.126 6.026 0.026 14 0 "[    .    1    .    2]" 1 
       295 1 15 GLU HA   1 15 GLU QG   3.000 . 4.200 2.486 2.378 2.769     .  0 0 "[    .    1    .    2]" 1 
       296 1 15 GLU HA   1 16 ARG H    2.100 . 2.700 2.128 2.088 2.256     .  0 0 "[    .    1    .    2]" 1 
       297 1 15 GLU HB2  1 15 GLU QG   2.200 . 4.300 2.402 2.264 2.456     .  0 0 "[    .    1    .    2]" 1 
       298 1 15 GLU HB2  1 16 ARG H    2.600 . 3.500 3.107 2.694 3.529 0.029 10 0 "[    .    1    .    2]" 1 
       299 1 15 GLU HB3  1 15 GLU QG       . . 2.300 2.222 2.145 2.404 0.104  5 0 "[    .    1    .    2]" 1 
       300 1 15 GLU HB3  1 16 ARG H    4.100 . 6.000 3.428 2.613 3.958     .  0 0 "[    .    1    .    2]" 1 
       301 1 15 GLU QG   1 16 ARG H    3.200 . 6.000 4.272 4.008 4.536     .  0 0 "[    .    1    .    2]" 1 
       302 1 16 ARG H    1 16 ARG HE   5.800 . 6.000 5.341 4.069 5.933     .  0 0 "[    .    1    .    2]" 1 
       303 1 16 ARG H    1 17 VAL H    4.700 . 6.000 4.408 4.316 4.520     .  0 0 "[    .    1    .    2]" 1 
       304 1 16 ARG H    1 17 VAL HA   3.800 . 5.600 4.779 4.669 5.037     .  0 0 "[    .    1    .    2]" 1 
       305 1 16 ARG H    1 18 ARG H    4.100 . 6.000 5.216 4.967 5.449     .  0 0 "[    .    1    .    2]" 1 
       306 1 16 ARG H    1 27 TYR H    3.500 . 5.000 4.031 3.779 4.413     .  0 0 "[    .    1    .    2]" 1 
       307 1 16 ARG H    1 28 CYS HA   2.100 . 2.700 2.129 2.013 2.272     .  0 0 "[    .    1    .    2]" 1 
       308 1 16 ARG HA   1 16 ARG QB   2.400 . 3.100 2.385 2.339 2.453     .  0 0 "[    .    1    .    2]" 1 
       309 1 16 ARG HA   1 16 ARG QD   4.100 . 6.000 3.567 2.024 4.262     .  0 0 "[    .    1    .    2]" 1 
       310 1 16 ARG HA   1 16 ARG QG   2.900 . 4.000 2.533 2.389 2.817     .  0 0 "[    .    1    .    2]" 1 
       311 1 16 ARG HA   1 17 VAL H    2.200 . 2.800 2.418 2.266 2.669     .  0 0 "[    .    1    .    2]" 1 
       312 1 16 ARG HA   1 17 VAL QG   3.900 . 5.800 3.262 3.022 3.785     .  0 0 "[    .    1    .    2]" 1 
       313 1 16 ARG HB2  1 16 ARG HD2  2.600 . 3.500 2.093 1.901 2.506     .  0 0 "[    .    1    .    2]" 1 
       314 1 16 ARG QB   1 16 ARG HE   3.500 . 5.100 2.304 1.801 3.602 0.099 15 0 "[    .    1    .    2]" 1 
       315 1 16 ARG QB   1 17 VAL H    2.700 . 3.600 2.489 1.831 3.422     .  0 0 "[    .    1    .    2]" 1 
       316 1 16 ARG QD   1 17 VAL H    5.000 . 6.000 4.240 2.797 5.221     .  0 0 "[    .    1    .    2]" 1 
       317 1 17 VAL H    1 17 VAL HA   3.000 . 4.200 2.936 2.927 2.943     .  0 0 "[    .    1    .    2]" 1 
       318 1 17 VAL H    1 17 VAL HB   2.400 . 3.100 2.975 2.875 3.150 0.050  7 0 "[    .    1    .    2]" 1 
       319 1 17 VAL H    1 17 VAL QG   3.200 . 4.500 2.456 2.199 2.648     .  0 0 "[    .    1    .    2]" 1 
       320 1 17 VAL H    1 18 ARG H    3.800 . 5.700 2.726 2.496 2.882     .  0 0 "[    .    1    .    2]" 1 
       321 1 17 VAL HA   1 17 VAL QG   2.700 . 3.600 2.163 2.122 2.264     .  0 0 "[    .    1    .    2]" 1 
       322 1 17 VAL HA   1 18 ARG H    2.100 . 2.700 2.725 2.643 2.791 0.091  8 0 "[    .    1    .    2]" 1 
       323 1 17 VAL HA   1 19 GLY H    3.600 . 5.200 3.500 3.073 4.164     .  0 0 "[    .    1    .    2]" 1 
       324 1 17 VAL HA   1 20 THR HA   3.300 . 4.700 4.250 3.810 4.733 0.033 15 0 "[    .    1    .    2]" 1 
       325 1 17 VAL HA   1 26 LEU HA   4.300 . 6.000 4.228 3.920 4.539     .  0 0 "[    .    1    .    2]" 1 
       326 1 17 VAL HA   1 26 LEU QB   3.700 . 5.400 3.713 3.351 4.226     .  0 0 "[    .    1    .    2]" 1 
       327 1 17 VAL HA   1 26 LEU HB3  4.000 . 6.000 4.799 3.506 5.501     .  0 0 "[    .    1    .    2]" 1 
       328 1 17 VAL HA   1 26 LEU HG   5.100 . 6.000 5.668 4.364 6.022 0.022  9 0 "[    .    1    .    2]" 1 
       329 1 17 VAL HA   1 27 TYR H    4.000 . 6.000 2.983 2.451 3.274     .  0 0 "[    .    1    .    2]" 1 
       330 1 17 VAL HA   1 27 TYR HB3  4.200 . 6.000 4.023 3.689 4.204     .  0 0 "[    .    1    .    2]" 1 
       331 1 17 VAL QG   1 18 ARG H    3.800 . 5.600 3.674 3.483 3.753     .  0 0 "[    .    1    .    2]" 1 
       332 1 17 VAL QG   1 19 GLY H    2.800 . 6.000 4.107 3.467 4.660     .  0 0 "[    .    1    .    2]" 1 
       333 1 17 VAL QG   1 19 GLY HA2  5.300 . 6.000 4.871 4.259 5.203     .  0 0 "[    .    1    .    2]" 1 
       334 1 17 VAL QG   1 20 THR HA   4.600 . 6.000 3.586 2.974 4.279     .  0 0 "[    .    1    .    2]" 1 
       335 1 17 VAL QG   1 26 LEU HB2  2.300 . 6.000 3.511 2.224 5.503     .  0 0 "[    .    1    .    2]" 1 
       336 1 17 VAL QG   1 27 TYR H    4.100 . 6.000 3.572 2.968 4.117     .  0 0 "[    .    1    .    2]" 1 
       337 1 18 ARG H    1 18 ARG QB   2.900 . 3.900 2.294 2.207 2.577     .  0 0 "[    .    1    .    2]" 1 
       338 1 18 ARG H    1 18 ARG QD   5.300 . 6.000 4.441 3.538 4.756     .  0 0 "[    .    1    .    2]" 1 
       339 1 18 ARG H    1 18 ARG HG3  3.300 . 4.700 4.422 3.285 4.576     .  0 0 "[    .    1    .    2]" 1 
       340 1 18 ARG H    1 19 GLY H    2.400 . 3.100 2.422 2.160 2.709     .  0 0 "[    .    1    .    2]" 1 
       341 1 18 ARG H    1 19 GLY HA2  6.000 . 6.000 5.058 4.897 5.249     .  0 0 "[    .    1    .    2]" 1 
       342 1 18 ARG H    1 20 THR HA   4.100 . 6.000 5.787 5.469 6.076 0.076 19 0 "[    .    1    .    2]" 1 
       343 1 18 ARG H    1 27 TYR H    4.800 . 6.000 4.599 4.243 4.864     .  0 0 "[    .    1    .    2]" 1 
       344 1 18 ARG H    1 27 TYR HB3  4.000 . 6.000 3.453 3.102 3.742     .  0 0 "[    .    1    .    2]" 1 
       345 1 18 ARG H    1 27 TYR QD   3.300 . 4.700 4.642 4.512 4.729 0.029 16 0 "[    .    1    .    2]" 1 
       346 1 18 ARG HA   1 18 ARG QD   3.900 . 5.800 3.336 2.016 4.490     .  0 0 "[    .    1    .    2]" 1 
       347 1 18 ARG HA   1 19 GLY H    3.100 . 4.300 3.480 3.401 3.559     .  0 0 "[    .    1    .    2]" 1 
       348 1 18 ARG QB   1 18 ARG QD   3.800 . 5.600 2.347 2.115 2.802     .  0 0 "[    .    1    .    2]" 1 
       349 1 18 ARG QB   1 18 ARG HE   3.800 . 5.600 3.107 1.990 4.041 0.010  5 0 "[    .    1    .    2]" 1 
       350 1 18 ARG QB   1 18 ARG HG3  2.000 . 2.500 2.335 2.149 2.399     .  0 0 "[    .    1    .    2]" 1 
       351 1 18 ARG QB   1 19 GLY H    4.000 . 6.000 2.712 2.159 3.571     .  0 0 "[    .    1    .    2]" 1 
       352 1 18 ARG QB   1 27 TYR QE   3.000 . 6.000 5.451 4.926 5.847     .  0 0 "[    .    1    .    2]" 1 
       353 1 18 ARG QD   1 18 ARG HG3  2.300 . 3.000 2.278 2.172 2.374     .  0 0 "[    .    1    .    2]" 1 
       354 1 18 ARG HE   1 18 ARG HG2  3.900 . 5.800 2.686 2.450 3.640     .  0 0 "[    .    1    .    2]" 1 
       355 1 18 ARG HE   1 18 ARG HG3  3.300 . 4.700 3.010 2.465 3.690     .  0 0 "[    .    1    .    2]" 1 
       356 1 18 ARG HG3  1 19 GLY H    4.100 . 6.000 4.410 2.838 5.080     .  0 0 "[    .    1    .    2]" 1 
       357 1 18 ARG HG3  1 19 GLY HA2  2.500 . 6.000 5.079 4.148 6.106 0.106 19 0 "[    .    1    .    2]" 1 
       358 1 19 GLY H    1 19 GLY HA2  2.700 . 3.600 2.932 2.889 2.954     .  0 0 "[    .    1    .    2]" 1 
       359 1 19 GLY H    1 20 THR H    4.100 . 6.000 3.471 3.247 3.746     .  0 0 "[    .    1    .    2]" 1 
       360 1 19 GLY H    1 20 THR HA   4.500 . 6.000 4.361 4.216 4.635     .  0 0 "[    .    1    .    2]" 1 
       361 1 19 GLY H    1 27 TYR H    4.300 . 6.000 4.663 4.376 5.063     .  0 0 "[    .    1    .    2]" 1 
       362 1 19 GLY H    1 27 TYR HB2  3.900 . 5.800 2.900 2.688 3.122     .  0 0 "[    .    1    .    2]" 1 
       363 1 19 GLY H    1 27 TYR HB3  3.000 . 4.200 3.306 2.860 3.527     .  0 0 "[    .    1    .    2]" 1 
       364 1 19 GLY H    1 27 TYR QD   4.800 . 6.000 3.958 3.565 4.379     .  0 0 "[    .    1    .    2]" 1 
       365 1 19 GLY HA2  1 20 THR H    2.900 . 3.900 2.587 2.267 3.331     .  0 0 "[    .    1    .    2]" 1 
       366 1 19 GLY HA2  1 20 THR MG   4.700 . 6.000 3.675 3.423 4.084     .  0 0 "[    .    1    .    2]" 1 
       367 1 19 GLY HA2  1 27 TYR HB2  4.900 . 6.000 4.986 4.682 5.292     .  0 0 "[    .    1    .    2]" 1 
       368 1 19 GLY HA2  1 27 TYR HB3  4.500 . 6.000 5.906 5.466 6.027 0.027 10 0 "[    .    1    .    2]" 1 
       369 1 19 GLY HA2  1 27 TYR QD   4.800 . 6.000 5.507 5.218 5.961     .  0 0 "[    .    1    .    2]" 1 
       370 1 19 GLY HA3  1 20 THR H    2.400 . 3.100 3.177 2.140 3.550 0.450 13 0 "[    .    1    .    2]" 1 
       371 1 19 GLY HA3  1 27 TYR HB2  5.300 . 6.000 4.166 3.848 4.480     .  0 0 "[    .    1    .    2]" 1 
       372 1 19 GLY HA3  1 27 TYR HB3  4.400 . 6.000 4.881 4.413 5.255     .  0 0 "[    .    1    .    2]" 1 
       373 1 19 GLY HA3  1 27 TYR QD   3.000 . 6.000 4.325 4.003 4.760     .  0 0 "[    .    1    .    2]" 1 
       374 1 20 THR H    1 20 THR HA   3.000 . 4.200 2.735 2.700 2.786     .  0 0 "[    .    1    .    2]" 1 
       375 1 20 THR H    1 20 THR MG   3.100 . 4.300 2.195 1.935 2.736     .  0 0 "[    .    1    .    2]" 1 
       376 1 20 THR H    1 21 CYS H    5.800 . 6.000 4.499 4.292 4.626     .  0 0 "[    .    1    .    2]" 1 
       377 1 20 THR H    1 27 TYR HB2  5.500 . 6.000 4.283 3.455 4.609     .  0 0 "[    .    1    .    2]" 1 
       378 1 20 THR H    1 27 TYR HB3  4.100 . 6.000 5.669 4.792 6.010 0.010  6 0 "[    .    1    .    2]" 1 
       379 1 20 THR H    1 27 TYR QD   3.500 . 6.000 4.976 3.224 5.595     .  0 0 "[    .    1    .    2]" 1 
       380 1 20 THR HA   1 20 THR HB   2.700 . 3.600 2.418 2.372 2.494     .  0 0 "[    .    1    .    2]" 1 
       381 1 20 THR HA   1 20 THR MG   3.100 . 4.300 2.908 2.325 3.207     .  0 0 "[    .    1    .    2]" 1 
       382 1 20 THR HA   1 21 CYS H    2.100 . 2.600 2.222 2.127 2.484     .  0 0 "[    .    1    .    2]" 1 
       383 1 20 THR HA   1 22 GLY H    5.500 . 6.000 3.733 3.430 4.161     .  0 0 "[    .    1    .    2]" 1 
       384 1 20 THR HA   1 26 LEU HA   2.800 . 3.800 3.103 2.691 3.600     .  0 0 "[    .    1    .    2]" 1 
       385 1 20 THR HA   1 27 TYR H    2.800 . 6.000 3.927 3.701 4.101     .  0 0 "[    .    1    .    2]" 1 
       386 1 20 THR HA   1 27 TYR HB2  4.800 . 6.000 3.464 3.186 3.567     .  0 0 "[    .    1    .    2]" 1 
       387 1 20 THR HA   1 27 TYR HB2  4.800 . 6.000 3.435 3.169 3.534     .  0 0 "[    .    1    .    2]" 1 
       388 1 20 THR HA   1 27 TYR HB3  3.600 . 5.200 5.188 4.931 5.241 0.041 11 0 "[    .    1    .    2]" 1 
       389 1 20 THR HB   1 21 CYS H    3.000 . 4.200 3.628 2.659 4.135     .  0 0 "[    .    1    .    2]" 1 
       390 1 20 THR HB   1 22 GLY H    4.000 . 6.000 3.794 2.483 4.884     .  0 0 "[    .    1    .    2]" 1 
       391 1 20 THR HB   1 27 TYR H    3.200 . 6.000 5.901 5.424 6.079 0.079 16 0 "[    .    1    .    2]" 1 
       392 1 20 THR MG   1 21 CYS H    4.100 . 6.000 3.852 3.388 4.105     .  0 0 "[    .    1    .    2]" 1 
       393 1 20 THR MG   1 22 GLY H    3.100 . 6.000 3.895 3.003 4.337     .  0 0 "[    .    1    .    2]" 1 
       394 1 20 THR MG   1 26 LEU HA   3.800 . 6.000 4.934 3.327 6.019 0.019 10 0 "[    .    1    .    2]" 1 
       395 1 21 CYS H    1 21 CYS HB2  3.400 . 4.800 2.824 2.513 3.218     .  0 0 "[    .    1    .    2]" 1 
       396 1 21 CYS H    1 21 CYS HB3  3.100 . 4.300 2.555 2.364 2.784     .  0 0 "[    .    1    .    2]" 1 
       397 1 21 CYS H    1 22 GLY H    2.500 . 3.300 2.205 1.713 2.674     .  0 0 "[    .    1    .    2]" 1 
       398 1 21 CYS H    1 25 PHE H    4.300 . 6.000 5.047 4.021 5.500     .  0 0 "[    .    1    .    2]" 1 
       399 1 21 CYS H    1 25 PHE HB2  3.800 . 5.600 3.454 2.609 4.035     .  0 0 "[    .    1    .    2]" 1 
       400 1 21 CYS H    1 25 PHE HB3  4.700 . 6.000 3.956 3.371 4.500     .  0 0 "[    .    1    .    2]" 1 
       401 1 21 CYS H    1 25 PHE QD   6.000 . 6.000 5.253 4.611 5.672     .  0 0 "[    .    1    .    2]" 1 
       402 1 21 CYS H    1 26 LEU HA   3.200 . 4.500 3.244 2.756 4.348     .  0 0 "[    .    1    .    2]" 1 
       403 1 21 CYS H    1 27 TYR H    4.000 . 6.000 4.656 4.217 5.553     .  0 0 "[    .    1    .    2]" 1 
       404 1 21 CYS H    1 27 TYR HB2  6.000 . 6.000 4.408 3.857 5.129     .  0 0 "[    .    1    .    2]" 1 
       405 1 21 CYS HA   1 21 CYS HB2  2.400 . 3.100 2.467 2.379 2.551     .  0 0 "[    .    1    .    2]" 1 
       406 1 21 CYS HA   1 21 CYS HB3  3.000 . 4.100 3.023 3.015 3.028     .  0 0 "[    .    1    .    2]" 1 
       407 1 21 CYS HA   1 22 GLY H    3.000 . 4.100 3.359 3.098 3.517     .  0 0 "[    .    1    .    2]" 1 
       408 1 21 CYS HA   1 27 TYR HB2  6.000 . 6.000 5.765 5.424 6.042 0.042 16 0 "[    .    1    .    2]" 1 
       409 1 21 CYS HA   1 27 TYR QD   5.400 . 6.000 3.850 3.621 4.097     .  0 0 "[    .    1    .    2]" 1 
       410 1 21 CYS HB2  1 22 GLY H    4.600 . 6.000 4.216 4.050 4.449     .  0 0 "[    .    1    .    2]" 1 
       411 1 21 CYS HB2  1 25 PHE HB2  4.100 . 6.000 4.334 3.994 4.970     .  0 0 "[    .    1    .    2]" 1 
       412 1 21 CYS HB2  1 27 TYR H    5.600 . 6.000 5.310 5.036 5.609     .  0 0 "[    .    1    .    2]" 1 
       413 1 21 CYS HB2  1 27 TYR HB2  5.100 . 6.000 4.609 4.211 5.121     .  0 0 "[    .    1    .    2]" 1 
       414 1 21 CYS HB2  1 27 TYR QD   2.800 . 3.800 2.282 1.887 2.749     .  0 0 "[    .    1    .    2]" 1 
       415 1 21 CYS HB2  1 27 TYR QE   3.700 . 5.400 3.069 2.422 3.497     .  0 0 "[    .    1    .    2]" 1 
       416 1 21 CYS HB3  1 22 GLY H    3.300 . 4.700 3.281 2.776 3.876     .  0 0 "[    .    1    .    2]" 1 
       417 1 21 CYS HB3  1 25 PHE HB2  2.500 . 3.300 2.656 2.254 3.296     .  0 0 "[    .    1    .    2]" 1 
       418 1 21 CYS HB3  1 25 PHE HB3  2.600 . 3.400 2.331 1.840 3.145     .  0 0 "[    .    1    .    2]" 1 
       419 1 21 CYS HB3  1 25 PHE QD   4.900 . 6.000 3.972 3.204 4.570     .  0 0 "[    .    1    .    2]" 1 
       420 1 21 CYS HB3  1 27 TYR HB2  6.000 . 6.000 5.589 5.266 5.831     .  0 0 "[    .    1    .    2]" 1 
       421 1 21 CYS HB3  1 27 TYR QD   4.700 . 6.000 3.745 3.441 4.072     .  0 0 "[    .    1    .    2]" 1 
       422 1 22 GLY H    1 22 GLY HA2  2.700 . 3.600 2.815 2.708 2.889     .  0 0 "[    .    1    .    2]" 1 
       423 1 22 GLY H    1 22 GLY HA3  2.400 . 3.100 2.798 2.706 2.887     .  0 0 "[    .    1    .    2]" 1 
       424 1 22 GLY H    1 25 PHE H    3.900 . 5.800 3.088 2.916 3.366     .  0 0 "[    .    1    .    2]" 1 
       425 1 22 GLY H    1 25 PHE HB2  3.500 . 5.000 2.709 2.025 3.509     .  0 0 "[    .    1    .    2]" 1 
       426 1 22 GLY H    1 25 PHE HB3  5.500 . 6.000 4.083 3.449 4.903     .  0 0 "[    .    1    .    2]" 1 
       427 1 22 GLY H    1 25 PHE QD   6.000 . 6.000 4.103 3.475 5.078     .  0 0 "[    .    1    .    2]" 1 
       428 1 22 GLY HA2  1 23 ILE H    2.700 . 3.600 2.933 2.708 3.149     .  0 0 "[    .    1    .    2]" 1 
       429 1 22 GLY HA2  1 25 PHE H    3.200 . 4.500 3.144 2.813 3.326     .  0 0 "[    .    1    .    2]" 1 
       430 1 22 GLY HA2  1 25 PHE HB2  4.300 . 6.000 4.091 3.716 4.515     .  0 0 "[    .    1    .    2]" 1 
       431 1 22 GLY HA2  1 25 PHE HB3  6.000 . 6.000 5.687 5.329 5.959     .  0 0 "[    .    1    .    2]" 1 
       432 1 22 GLY HA2  1 25 PHE QD   5.000 . 6.000 3.942 3.609 5.376     .  0 0 "[    .    1    .    2]" 1 
       433 1 22 GLY HA3  1 23 ILE H    2.300 . 3.000 2.267 2.151 2.426     .  0 0 "[    .    1    .    2]" 1 
       434 1 22 GLY HA3  1 25 PHE HB2  3.300 . 4.700 2.736 2.380 3.041     .  0 0 "[    .    1    .    2]" 1 
       435 1 23 ILE H    1 23 ILE HA   2.800 . 3.800 2.878 2.802 2.926     .  0 0 "[    .    1    .    2]" 1 
       436 1 23 ILE H    1 23 ILE HB   2.300 . 3.000 2.564 2.437 2.657     .  0 0 "[    .    1    .    2]" 1 
       437 1 23 ILE H    1 23 ILE MD   3.500 . 5.000 3.301 1.986 3.710 0.014 14 0 "[    .    1    .    2]" 1 
       438 1 23 ILE H    1 23 ILE HG13 2.800 . 3.800 2.760 1.904 3.785     .  0 0 "[    .    1    .    2]" 1 
       439 1 23 ILE H    1 24 ARG H    2.600 . 3.500 2.671 2.239 3.093     .  0 0 "[    .    1    .    2]" 1 
       440 1 23 ILE H    1 25 PHE HB2  5.400 . 6.000 4.100 3.599 4.429     .  0 0 "[    .    1    .    2]" 1 
       441 1 23 ILE H    1 25 PHE QD   3.600 . 5.200 2.539 2.068 3.223     .  0 0 "[    .    1    .    2]" 1 
       442 1 23 ILE HA   1 23 ILE HB   2.900 . 3.900 3.021 3.018 3.023     .  0 0 "[    .    1    .    2]" 1 
       443 1 23 ILE HA   1 23 ILE MD   3.200 . 4.500 3.248 2.052 3.889     .  0 0 "[    .    1    .    2]" 1 
       444 1 23 ILE HA   1 23 ILE HG12 2.900 . 3.900 2.865 2.580 3.607     .  0 0 "[    .    1    .    2]" 1 
       445 1 23 ILE HA   1 23 ILE HG13 3.300 . 4.600 3.183 2.348 3.785     .  0 0 "[    .    1    .    2]" 1 
       446 1 23 ILE HA   1 23 ILE MG   3.200 . 4.500 2.367 2.316 2.455     .  0 0 "[    .    1    .    2]" 1 
       447 1 23 ILE HA   1 24 ARG H    2.200 . 2.800 2.802 2.786 2.813 0.013  7 0 "[    .    1    .    2]" 1 
       448 1 23 ILE HB   1 23 ILE MD   2.600 . 6.000 2.638 2.291 3.240     .  0 0 "[    .    1    .    2]" 1 
       449 1 23 ILE HB   1 23 ILE HG13 2.700 . 3.600 2.538 2.450 3.016     .  0 0 "[    .    1    .    2]" 1 
       450 1 23 ILE HB   1 24 ARG H    2.500 . 3.300 2.093 1.779 2.360     .  0 0 "[    .    1    .    2]" 1 
       451 1 23 ILE HB   1 25 PHE QE   3.000 . 6.000 4.476 3.642 5.352     .  0 0 "[    .    1    .    2]" 1 
       452 1 23 ILE MD   1 24 ARG H    2.600 . 6.000 4.224 3.691 4.562     .  0 0 "[    .    1    .    2]" 1 
       453 1 23 ILE MD   1 25 PHE H    3.900 . 6.000 5.573 4.631 6.008 0.008 15 0 "[    .    1    .    2]" 1 
       454 1 23 ILE HG13 1 23 ILE MG   2.700 . 6.000 2.885 2.340 3.206     .  0 0 "[    .    1    .    2]" 1 
       455 1 23 ILE HG13 1 24 ARG H    5.000 . 6.000 4.250 3.890 4.782     .  0 0 "[    .    1    .    2]" 1 
       456 1 23 ILE MG   1 24 ARG H    5.100 . 6.000 3.104 2.494 3.578     .  0 0 "[    .    1    .    2]" 1 
       457 1 23 ILE MG   1 24 ARG QD   3.300 . 6.000 4.337 2.944 5.288     .  0 0 "[    .    1    .    2]" 1 
       458 1 24 ARG H    1 24 ARG QG   2.400 . 3.100 2.154 1.885 2.842     .  0 0 "[    .    1    .    2]" 1 
       459 1 24 ARG H    1 25 PHE H    2.200 . 2.800 2.337 2.075 2.800     .  0 0 "[    .    1    .    2]" 1 
       460 1 24 ARG H    1 25 PHE HB2  5.600 . 6.000 4.437 4.247 4.620     .  0 0 "[    .    1    .    2]" 1 
       461 1 24 ARG H    1 25 PHE QD   3.900 . 5.800 2.778 2.468 3.174     .  0 0 "[    .    1    .    2]" 1 
       462 1 24 ARG HA   1 24 ARG QB   2.500 . 3.300 2.181 2.176 2.183     .  0 0 "[    .    1    .    2]" 1 
       463 1 24 ARG HA   1 24 ARG QG   3.400 . 4.700 3.368 3.336 3.448     .  0 0 "[    .    1    .    2]" 1 
       464 1 24 ARG QB   1 25 PHE QD   2.800 . 6.000 4.706 4.438 5.024     .  0 0 "[    .    1    .    2]" 1 
       465 1 24 ARG QG   1 25 PHE QE   3.200 . 4.500 3.302 2.625 3.809     .  0 0 "[    .    1    .    2]" 1 
       466 1 25 PHE H    1 25 PHE HA   2.900 . 3.900 2.902 2.815 2.948     .  0 0 "[    .    1    .    2]" 1 
       467 1 25 PHE H    1 25 PHE HB2  2.300 . 3.000 2.478 2.291 2.623     .  0 0 "[    .    1    .    2]" 1 
       468 1 25 PHE H    1 25 PHE HB3  4.000 . 6.000 3.641 3.556 3.752     .  0 0 "[    .    1    .    2]" 1 
       469 1 25 PHE H    1 25 PHE QD   3.000 . 4.200 2.280 1.909 2.680     .  0 0 "[    .    1    .    2]" 1 
       470 1 25 PHE H    1 26 LEU H    5.500 . 6.000 4.542 4.415 4.629     .  0 0 "[    .    1    .    2]" 1 
       471 1 25 PHE HA   1 25 PHE HB3  2.400 . 3.100 2.481 2.440 2.585     .  0 0 "[    .    1    .    2]" 1 
       472 1 25 PHE HA   1 25 PHE QD   3.000 . 4.100 3.013 2.861 3.125     .  0 0 "[    .    1    .    2]" 1 
       473 1 25 PHE HA   1 25 PHE QE   3.400 . 4.800 4.679 4.584 4.737     .  0 0 "[    .    1    .    2]" 1 
       474 1 25 PHE HA   1 26 LEU H    2.100 . 2.700 2.433 2.251 2.635     .  0 0 "[    .    1    .    2]" 1 
       475 1 25 PHE HA   1 26 LEU QB   3.500 . 5.100 4.221 4.063 4.499     .  0 0 "[    .    1    .    2]" 1 
       476 1 25 PHE HA   1 26 LEU MD2  3.700 . 5.400 3.375 2.505 5.366     .  0 0 "[    .    1    .    2]" 1 
       477 1 25 PHE HA   1 26 LEU HG   4.600 . 6.000 4.967 4.306 5.596     .  0 0 "[    .    1    .    2]" 1 
       478 1 25 PHE HB2  1 25 PHE QD   2.600 . 3.500 2.427 2.353 2.525     .  0 0 "[    .    1    .    2]" 1 
       479 1 25 PHE HB2  1 25 PHE QE   4.600 . 6.000 4.414 4.395 4.441     .  0 0 "[    .    1    .    2]" 1 
       480 1 25 PHE HB2  1 26 LEU H    3.800 . 5.600 3.554 3.104 3.977     .  0 0 "[    .    1    .    2]" 1 
       481 1 25 PHE HB3  1 25 PHE QD   2.500 . 3.300 2.351 2.288 2.418     .  0 0 "[    .    1    .    2]" 1 
       482 1 25 PHE HB3  1 26 LEU H    2.200 . 2.800 2.394 1.984 2.816 0.016 14 0 "[    .    1    .    2]" 1 
       483 1 25 PHE QD   1 26 LEU H    4.600 . 6.000 3.759 3.492 3.978     .  0 0 "[    .    1    .    2]" 1 
       484 1 26 LEU H    1 26 LEU HA   3.000 . 4.100 2.912 2.853 2.947     .  0 0 "[    .    1    .    2]" 1 
       485 1 26 LEU H    1 26 LEU QB   2.600 . 3.400 3.011 2.409 3.269     .  0 0 "[    .    1    .    2]" 1 
       486 1 26 LEU H    1 26 LEU MD1  4.500 . 6.000 3.768 2.019 4.411     .  0 0 "[    .    1    .    2]" 1 
       487 1 26 LEU H    1 26 LEU MD2  3.300 . 4.700 2.534 1.871 4.391 0.029  3 0 "[    .    1    .    2]" 1 
       488 1 26 LEU H    1 26 LEU HG   3.000 . 4.200 3.308 2.673 4.080     .  0 0 "[    .    1    .    2]" 1 
       489 1 26 LEU H    1 27 TYR H    5.100 . 6.000 4.410 4.366 4.512     .  0 0 "[    .    1    .    2]" 1 
       490 1 26 LEU HA   1 26 LEU QB   2.300 . 2.900 2.214 2.160 2.429     .  0 0 "[    .    1    .    2]" 1 
       491 1 26 LEU HA   1 26 LEU MD2  3.700 . 5.400 3.582 3.511 3.738     .  0 0 "[    .    1    .    2]" 1 
       492 1 26 LEU HA   1 26 LEU HG   3.100 . 4.300 3.414 2.445 3.737     .  0 0 "[    .    1    .    2]" 1 
       493 1 26 LEU HA   1 27 TYR H    2.200 . 2.800 2.532 2.387 2.669     .  0 0 "[    .    1    .    2]" 1 
       494 1 26 LEU HA   1 27 TYR HB2  5.300 . 6.000 4.059 4.006 4.110     .  0 0 "[    .    1    .    2]" 1 
       495 1 26 LEU HA   1 27 TYR HB3  4.400 . 6.000 5.350 5.270 5.411     .  0 0 "[    .    1    .    2]" 1 
       496 1 26 LEU HA   1 27 TYR QD   3.300 . 4.600 4.655 4.607 4.682 0.082 18 0 "[    .    1    .    2]" 1 
       497 1 26 LEU QB   1 26 LEU MD1  2.500 . 3.300 2.111 2.072 2.253     .  0 0 "[    .    1    .    2]" 1 
       498 1 26 LEU QB   1 26 LEU QD   2.300 . 3.000 1.906 1.886 1.925     .  0 0 "[    .    1    .    2]" 1 
       499 1 26 LEU QB   1 26 LEU HG   1.900 . 2.400 2.427 2.391 2.462 0.062  3 0 "[    .    1    .    2]" 1 
       500 1 26 LEU QB   1 27 TYR H    3.100 . 4.300 2.182 1.902 2.473     .  0 0 "[    .    1    .    2]" 1 
       501 1 26 LEU QB   1 27 TYR QD   2.300 . 6.000 5.367 5.152 5.560     .  0 0 "[    .    1    .    2]" 1 
       502 1 26 LEU MD2  1 26 LEU HG   2.300 . 2.900 2.128 2.119 2.130     .  0 0 "[    .    1    .    2]" 1 
       503 1 26 LEU MD2  1 27 TYR H    2.700 . 6.000 4.268 3.719 4.517     .  0 0 "[    .    1    .    2]" 1 
       504 1 26 LEU HG   1 27 TYR H    3.300 . 4.600 3.543 2.924 4.377     .  0 0 "[    .    1    .    2]" 1 
       505 1 27 TYR H    1 27 TYR HA   3.000 . 4.200 2.940 2.915 2.946     .  0 0 "[    .    1    .    2]" 1 
       506 1 27 TYR H    1 27 TYR HB2  3.000 . 4.100 2.457 2.292 2.583     .  0 0 "[    .    1    .    2]" 1 
       507 1 27 TYR H    1 27 TYR HB3  2.400 . 3.100 3.113 3.071 3.144 0.044  1 0 "[    .    1    .    2]" 1 
       508 1 27 TYR H    1 27 TYR QD   4.800 . 6.000 3.986 3.835 4.091     .  0 0 "[    .    1    .    2]" 1 
       509 1 27 TYR H    1 28 CYS H    4.800 . 6.000 4.363 4.276 4.438     .  0 0 "[    .    1    .    2]" 1 
       510 1 27 TYR HA   1 27 TYR HB2  2.800 . 3.800 2.764 2.745 2.777     .  0 0 "[    .    1    .    2]" 1 
       511 1 27 TYR HA   1 27 TYR QD   2.400 . 3.100 2.443 2.232 2.775     .  0 0 "[    .    1    .    2]" 1 
       512 1 27 TYR HA   1 27 TYR QE   4.600 . 6.000 4.233 4.148 4.337     .  0 0 "[    .    1    .    2]" 1 
       513 1 27 TYR HA   1 28 CYS H    2.000 . 2.500 2.126 2.101 2.153     .  0 0 "[    .    1    .    2]" 1 
       514 1 27 TYR HB2  1 27 TYR QD   2.400 . 3.100 2.614 2.478 2.689     .  0 0 "[    .    1    .    2]" 1 
       515 1 27 TYR HB2  1 28 CYS H    4.400 . 6.000 4.481 4.447 4.510     .  0 0 "[    .    1    .    2]" 1 
       516 1 27 TYR HB3  1 27 TYR QD   2.500 . 3.300 2.292 2.281 2.324     .  0 0 "[    .    1    .    2]" 1 
       517 1 27 TYR HB3  1 28 CYS H    5.000 . 6.000 3.800 3.705 3.900     .  0 0 "[    .    1    .    2]" 1 
       518 1 27 TYR QD   1 28 CYS H    4.300 . 6.000 3.865 3.811 3.906     .  0 0 "[    .    1    .    2]" 1 
       519 1 27 TYR QE   1 28 CYS H    3.500 . 5.000 5.041 5.015 5.064 0.064  5 0 "[    .    1    .    2]" 1 
       520 1 28 CYS H    1 28 CYS HA   2.900 . 3.900 2.945 2.937 2.949     .  0 0 "[    .    1    .    2]" 1 
       521 1 28 CYS H    1 28 CYS HB2  2.600 . 3.400 2.914 2.630 3.229     .  0 0 "[    .    1    .    2]" 1 
       522 1 28 CYS H    1 28 CYS HB3  3.000 . 4.200 2.940 2.470 3.820     .  0 0 "[    .    1    .    2]" 1 
       523 1 28 CYS HA   1 28 CYS HB2  2.800 . 3.800 2.622 2.370 3.025     .  0 0 "[    .    1    .    2]" 1 
       524 1 28 CYS HA   1 28 CYS HB3  2.900 . 3.900 2.852 2.400 3.028     .  0 0 "[    .    1    .    2]" 1 
       525 1 28 CYS HA   1 29 CYS HB3  5.900 . 6.000 5.196 4.774 5.781     .  0 0 "[    .    1    .    2]" 1 
       526 1 28 CYS HB2  1 29 CYS H    4.800 . 6.000 4.200 3.775 4.452     .  0 0 "[    .    1    .    2]" 1 
       527 1 28 CYS HB3  1 29 CYS H    3.600 . 5.300 3.892 2.715 4.498     .  0 0 "[    .    1    .    2]" 1 
       528 1 29 CYS H    1 29 CYS HA   3.000 . 4.100 2.917 2.856 2.947     .  0 0 "[    .    1    .    2]" 1 
       529 1 29 CYS H    1 29 CYS HB2  3.300 . 4.700 2.794 2.443 3.198     .  0 0 "[    .    1    .    2]" 1 
       530 1 29 CYS H    1 29 CYS HB3  2.900 . 3.900 3.291 2.840 3.693     .  0 0 "[    .    1    .    2]" 1 
       531 1 29 CYS H    1 30 PRO HD3  4.500 . 6.000 4.546 3.490 4.984     .  0 0 "[    .    1    .    2]" 1 
       532 1 29 CYS HA   1 29 CYS HB2  2.600 . 3.400 2.779 2.589 3.025     .  0 0 "[    .    1    .    2]" 1 
       533 1 29 CYS HA   1 29 CYS HB3  2.900 . 3.900 2.819 2.438 3.007     .  0 0 "[    .    1    .    2]" 1 
       534 1 29 CYS HA   1 30 PRO HD2  2.200 . 2.800 2.374 1.911 2.839 0.039  2 0 "[    .    1    .    2]" 1 
       535 1 29 CYS HA   1 30 PRO HD3  2.100 . 2.700 2.252 1.888 2.806 0.106 18 0 "[    .    1    .    2]" 1 
       536 1 29 CYS HA   1 30 PRO HG2  5.700 . 6.000 4.401 4.058 4.657     .  0 0 "[    .    1    .    2]" 1 
       537 1 29 CYS HA   1 30 PRO HG3  5.400 . 6.000 4.336 4.063 4.505     .  0 0 "[    .    1    .    2]" 1 
       538 1 29 CYS HB2  1 30 PRO HD2  4.300 . 6.000 4.228 3.725 4.555     .  0 0 "[    .    1    .    2]" 1 
       539 1 29 CYS HB2  1 30 PRO HD3  4.000 . 6.000 4.801 4.312 5.212     .  0 0 "[    .    1    .    2]" 1 
       540 1 30 PRO HA   1 30 PRO HB3  2.600 . 3.400 2.298 2.278 2.324     .  0 0 "[    .    1    .    2]" 1 
       541 1 30 PRO HA   1 30 PRO HD2  4.700 . 6.000 4.035 3.917 4.102     .  0 0 "[    .    1    .    2]" 1 
       542 1 30 PRO HA   1 30 PRO HD3  4.200 . 6.000 3.639 3.447 3.844     .  0 0 "[    .    1    .    2]" 1 
       543 1 30 PRO HA   1 31 ARG H    2.200 . 2.800 2.290 2.140 2.809 0.009  6 0 "[    .    1    .    2]" 1 
       544 1 30 PRO HA   1 31 ARG HA   6.000 . 6.000 4.385 4.312 4.517     .  0 0 "[    .    1    .    2]" 1 
       545 1 30 PRO HA   1 31 ARG HB3  5.500 . 6.000 5.286 4.586 6.220 0.220  6 0 "[    .    1    .    2]" 1 
       546 1 30 PRO HA   1 32 ARG H    5.800 . 6.000 4.374 3.258 5.514     .  0 0 "[    .    1    .    2]" 1 
       547 1 30 PRO HB2  1 30 PRO HD2  3.900 . 5.800 3.662 2.937 4.054     .  0 0 "[    .    1    .    2]" 1 
       548 1 30 PRO HB2  1 30 PRO HG3  2.900 . 3.900 2.781 2.660 2.998     .  0 0 "[    .    1    .    2]" 1 
       549 1 30 PRO HB2  1 31 ARG H    3.600 . 5.300 3.445 2.570 4.364     .  0 0 "[    .    1    .    2]" 1 
       550 1 30 PRO HB2  1 32 ARG H    4.100 . 6.000 3.697 2.090 5.617     .  0 0 "[    .    1    .    2]" 1 
       551 1 30 PRO HB3  1 30 PRO HD3  3.500 . 5.100 3.362 2.946 4.055     .  0 0 "[    .    1    .    2]" 1 
       552 1 30 PRO HB3  1 30 PRO HG2  2.600 . 3.400 2.878 2.658 2.995     .  0 0 "[    .    1    .    2]" 1 
       553 1 30 PRO HB3  1 30 PRO HG3  2.200 . 2.800 2.322 2.313 2.330     .  0 0 "[    .    1    .    2]" 1 
       554 1 30 PRO HB3  1 31 ARG H    4.000 . 6.000 3.668 2.464 4.671     .  0 0 "[    .    1    .    2]" 1 
       555 1 30 PRO HB3  1 32 ARG H    4.500 . 6.000 4.747 3.477 5.998     .  0 0 "[    .    1    .    2]" 1 
       556 1 30 PRO HD2  1 30 PRO HG2  2.600 . 3.400 2.305 2.273 2.319     .  0 0 "[    .    1    .    2]" 1 
       557 1 30 PRO HD2  1 30 PRO HG3  3.000 . 4.100 2.809 2.683 2.994     .  0 0 "[    .    1    .    2]" 1 
       558 1 30 PRO HD3  1 30 PRO HG2  3.000 . 4.100 2.881 2.678 2.994     .  0 0 "[    .    1    .    2]" 1 
       559 1 30 PRO HD3  1 30 PRO HG3  2.500 . 3.300 2.304 2.274 2.318     .  0 0 "[    .    1    .    2]" 1 
       560 1 31 ARG H    1 31 ARG HB2  3.000 . 4.100 2.706 2.393 3.701     .  0 0 "[    .    1    .    2]" 1 
       561 1 31 ARG H    1 31 ARG HB3  2.900 . 4.000 3.143 2.432 3.798     .  0 0 "[    .    1    .    2]" 1 
       562 1 31 ARG H    1 31 ARG QD   5.100 . 6.000 4.159 3.388 4.890     .  0 0 "[    .    1    .    2]" 1 
       563 1 31 ARG H    1 31 ARG QG   3.100 . 4.300 3.060 1.910 4.130     .  0 0 "[    .    1    .    2]" 1 
       564 1 31 ARG H    1 32 ARG H    3.200 . 4.500 2.970 1.995 4.179     .  0 0 "[    .    1    .    2]" 1 
       565 1 31 ARG HA   1 31 ARG HB2  2.600 . 3.400 2.745 2.427 3.026     .  0 0 "[    .    1    .    2]" 1 
       566 1 31 ARG HA   1 31 ARG HB3  3.000 . 4.100 2.692 2.420 3.026     .  0 0 "[    .    1    .    2]" 1 
       567 1 31 ARG HA   1 31 ARG QD   4.400 . 6.000 3.737 2.057 4.493     .  0 0 "[    .    1    .    2]" 1 
       568 1 31 ARG HA   1 31 ARG HE   5.300 . 6.000 4.648 3.741 5.992     .  0 0 "[    .    1    .    2]" 1 
       569 1 31 ARG HA   1 31 ARG QG   3.000 . 4.100 2.633 2.370 3.344     .  0 0 "[    .    1    .    2]" 1 
       570 1 31 ARG HA   1 32 ARG H    2.700 . 3.600 3.049 2.213 3.575     .  0 0 "[    .    1    .    2]" 1 
       571 1 31 ARG HB2  1 31 ARG QD   3.100 . 4.300 2.618 2.344 3.494     .  0 0 "[    .    1    .    2]" 1 
       572 1 31 ARG HB2  1 31 ARG QD   3.000 . 4.100 2.339 2.096 2.765     .  0 0 "[    .    1    .    2]" 1 
       573 1 31 ARG HB2  1 32 ARG H    3.300 . 4.600 2.812 1.860 3.603 0.140  2 0 "[    .    1    .    2]" 1 
       574 1 31 ARG HB3  1 32 ARG H    3.400 . 4.900 2.869 2.083 3.544     .  0 0 "[    .    1    .    2]" 1 
       575 1 31 ARG QD   1 31 ARG QG   2.100 . 2.700 1.854 1.826 1.881     .  0 0 "[    .    1    .    2]" 1 
       576 1 31 ARG HG3  1 32 ARG H    3.700 . 5.400 2.951 1.958 4.031 0.042  9 0 "[    .    1    .    2]" 1 
       577 1 32 ARG H    1 32 ARG HA   2.800 . 3.800 2.897 2.802 2.943     .  0 0 "[    .    1    .    2]" 1 
       578 1 32 ARG H    1 32 ARG QD   5.400 . 6.000 4.234 3.416 5.011     .  0 0 "[    .    1    .    2]" 1 
       579 1 32 ARG HA   1 32 ARG QD   4.700 . 6.000 3.232 2.034 4.558     .  0 0 "[    .    1    .    2]" 1 
       580 1 32 ARG HA   1 32 ARG QG   3.600 . 5.200 2.837 2.413 3.351     .  0 0 "[    .    1    .    2]" 1 
    stop_

save_



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