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
641785 6pin 30619 cing 4-filtered-FRED Wattos check violation distance


data_6pin


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              273
    _Distance_constraint_stats_list.Viol_count                    229
    _Distance_constraint_stats_list.Viol_total                    125.273
    _Distance_constraint_stats_list.Viol_max                      0.132
    _Distance_constraint_stats_list.Viol_rms                      0.0076
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0011
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0274
    _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 LYS 0.383 0.091 16 0 "[    .    1    .    2]" 
       1  2 TRP 0.511 0.091 16 0 "[    .    1    .    2]" 
       1  3 CYS 0.038 0.031 14 0 "[    .    1    .    2]" 
       1  4 PHE 0.093 0.025 13 0 "[    .    1    .    2]" 
       1  5 ARG 0.415 0.047 10 0 "[    .    1    .    2]" 
       1  6 VAL 1.228 0.077 19 0 "[    .    1    .    2]" 
       1  7 CYS 0.087 0.023  9 0 "[    .    1    .    2]" 
       1  8 TYR 1.307 0.092 14 0 "[    .    1    .    2]" 
       1  9 ARG 1.027 0.092 14 0 "[    .    1    .    2]" 
       1 10 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 11 ILE 0.412 0.102 10 0 "[    .    1    .    2]" 
       1 12 CYS 1.496 0.102 10 0 "[    .    1    .    2]" 
       1 13 TYR 1.884 0.132  6 0 "[    .    1    .    2]" 
       1 14 ARG 0.275 0.060  1 0 "[    .    1    .    2]" 
       1 15 ARG 2.081 0.132  6 0 "[    .    1    .    2]" 
       1 16 CYS 0.214 0.058 15 0 "[    .    1    .    2]" 
       1 17 ARG 0.215 0.091 15 0 "[    .    1    .    2]" 
       1 18 GLY 0.034 0.034 14 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 LYS HA   1  1 LYS HG2  2.950 . 4.100 3.373 2.427 3.875     .  0 0 "[    .    1    .    2]" 1 
         2 1  1 LYS HA   1  1 LYS QG   2.670 . 3.540 3.069 2.353 3.398     .  0 0 "[    .    1    .    2]" 1 
         3 1  1 LYS HA   1  1 LYS HG3  2.950 . 4.100 3.600 3.135 3.836     .  0 0 "[    .    1    .    2]" 1 
         4 1  1 LYS QB   1  1 LYS QE   3.130 . 4.460 3.180 1.927 3.847     .  0 0 "[    .    1    .    2]" 1 
         5 1  1 LYS QB   1  1 LYS QZ   3.570 . 5.340 3.664 3.390 3.966     .  0 0 "[    .    1    .    2]" 1 
         6 1  1 LYS QB   1  2 TRP H    3.010 . 4.220 3.576 2.465 3.956     .  0 0 "[    .    1    .    2]" 1 
         7 1  1 LYS QB   1 18 GLY HA3  3.310 . 4.820 4.410 4.285 4.598     .  0 0 "[    .    1    .    2]" 1 
         8 1  1 LYS HB2  1  2 TRP H    3.420 . 5.040 3.898 2.502 4.424     .  0 0 "[    .    1    .    2]" 1 
         9 1  1 LYS HB3  1  2 TRP H    3.420 . 5.040 4.269 3.709 4.463     .  0 0 "[    .    1    .    2]" 1 
        10 1  1 LYS QG   1  2 TRP H    3.010 . 4.220 3.456 2.580 4.221 0.001 16 0 "[    .    1    .    2]" 1 
        11 1  1 LYS HG2  1  2 TRP H    3.315 . 4.830 4.037 3.024 4.921 0.091 16 0 "[    .    1    .    2]" 1 
        12 1  1 LYS HG3  1  2 TRP H    3.315 . 4.830 3.792 2.798 4.860 0.030  3 0 "[    .    1    .    2]" 1 
        13 1  2 TRP H    1  2 TRP HB2  2.445 . 3.090 2.912 2.639 3.104 0.014 16 0 "[    .    1    .    2]" 1 
        14 1  2 TRP H    1  2 TRP HB3  2.420 . 3.040 2.443 2.270 2.614     .  0 0 "[    .    1    .    2]" 1 
        15 1  2 TRP H    1  3 CYS H    3.295 . 4.790 4.321 4.104 4.432     .  0 0 "[    .    1    .    2]" 1 
        16 1  2 TRP H    1  3 CYS HA   3.650 . 5.500 5.038 4.781 5.363     .  0 0 "[    .    1    .    2]" 1 
        17 1  2 TRP H    1 16 CYS HA   3.650 . 5.500 4.912 4.489 5.497     .  0 0 "[    .    1    .    2]" 1 
        18 1  2 TRP H    1 16 CYS HB3  3.625 . 5.450 4.655 4.158 5.452 0.002  6 0 "[    .    1    .    2]" 1 
        19 1  2 TRP H    1 17 ARG H    3.055 . 4.310 3.657 3.214 4.309     .  0 0 "[    .    1    .    2]" 1 
        20 1  2 TRP H    1 18 GLY H    3.620 . 5.440 4.535 4.268 4.888     .  0 0 "[    .    1    .    2]" 1 
        21 1  2 TRP H    1 18 GLY HA2  3.615 . 5.430 4.521 4.274 4.857     .  0 0 "[    .    1    .    2]" 1 
        22 1  2 TRP H    1 18 GLY HA3  2.880 . 3.960 3.388 3.119 3.620     .  0 0 "[    .    1    .    2]" 1 
        23 1  2 TRP HA   1  3 CYS H    2.145 . 2.490 2.114 2.063 2.192     .  0 0 "[    .    1    .    2]" 1 
        24 1  2 TRP HB2  1  2 TRP HD1  2.610 . 3.420 3.046 2.973 3.171     .  0 0 "[    .    1    .    2]" 1 
        25 1  2 TRP HB2  1  2 TRP HE1  3.455 . 5.110 4.926 4.889 4.974     .  0 0 "[    .    1    .    2]" 1 
        26 1  2 TRP HB2  1  2 TRP HE3  2.780 . 3.760 3.700 3.581 3.767 0.007 13 0 "[    .    1    .    2]" 1 
        27 1  2 TRP HB2  1  3 CYS H    3.140 . 4.480 4.252 4.088 4.370     .  0 0 "[    .    1    .    2]" 1 
        28 1  2 TRP HB3  1  2 TRP HE3  2.530 . 3.260 2.390 2.349 2.466     .  0 0 "[    .    1    .    2]" 1 
        29 1  2 TRP HB3  1  3 CYS H    3.115 . 4.430 4.320 4.120 4.435 0.005 16 0 "[    .    1    .    2]" 1 
        30 1  2 TRP HB3  1 17 ARG H    2.990 . 4.180 3.748 3.339 4.047     .  0 0 "[    .    1    .    2]" 1 
        31 1  2 TRP HD1  1  3 CYS H    3.250 . 4.700 3.063 2.645 3.477     .  0 0 "[    .    1    .    2]" 1 
        32 1  2 TRP HD1  1  4 PHE QD   3.450 . 5.100 4.880 4.159 5.125 0.025 13 0 "[    .    1    .    2]" 1 
        33 1  2 TRP HZ2  1  4 PHE QB   3.150 . 4.500 2.964 2.597 3.483     .  0 0 "[    .    1    .    2]" 1 
        34 1  3 CYS H    1  3 CYS HB2  2.440 . 3.080 2.540 2.469 2.599     .  0 0 "[    .    1    .    2]" 1 
        35 1  3 CYS H    1  3 CYS HB3  2.890 . 3.980 3.694 3.659 3.731     .  0 0 "[    .    1    .    2]" 1 
        36 1  3 CYS H    1  4 PHE H    3.250 . 4.700 4.332 4.226 4.460     .  0 0 "[    .    1    .    2]" 1 
        37 1  3 CYS H    1  4 PHE QD   3.310 . 4.820 4.416 4.178 4.689     .  0 0 "[    .    1    .    2]" 1 
        38 1  3 CYS H    1 17 ARG H    3.420 . 5.040 4.825 4.576 5.071 0.031 14 0 "[    .    1    .    2]" 1 
        39 1  3 CYS HA   1  4 PHE H    2.105 . 2.410 2.122 2.076 2.236     .  0 0 "[    .    1    .    2]" 1 
        40 1  3 CYS HA   1  4 PHE QD   2.740 . 3.680 3.062 2.678 3.439     .  0 0 "[    .    1    .    2]" 1 
        41 1  3 CYS HA   1  4 PHE QE   3.565 . 5.330 4.328 4.029 4.740     .  0 0 "[    .    1    .    2]" 1 
        42 1  3 CYS HB3  1  4 PHE H    2.695 . 3.590 3.186 2.797 3.445     .  0 0 "[    .    1    .    2]" 1 
        43 1  4 PHE H    1  4 PHE QB   2.545 . 3.290 3.109 3.005 3.188     .  0 0 "[    .    1    .    2]" 1 
        44 1  4 PHE H    1  4 PHE QD   2.680 . 3.560 2.602 2.192 2.878     .  0 0 "[    .    1    .    2]" 1 
        45 1  4 PHE H    1 17 ARG H    3.325 . 4.850 4.454 4.134 4.736     .  0 0 "[    .    1    .    2]" 1 
        46 1  4 PHE HA   1  5 ARG QB   3.190 . 4.580 3.972 3.844 4.076     .  0 0 "[    .    1    .    2]" 1 
        47 1  4 PHE QD   1  5 ARG H    3.030 . 4.260 3.790 3.548 4.050     .  0 0 "[    .    1    .    2]" 1 
        48 1  4 PHE QD   1  6 VAL HB   3.600 . 5.400 5.051 4.515 5.406 0.006  7 0 "[    .    1    .    2]" 1 
        49 1  4 PHE QE   1 16 CYS HA   3.650 . 5.500 3.834 3.059 4.666     .  0 0 "[    .    1    .    2]" 1 
        50 1  4 PHE QE   1 17 ARG H    3.090 . 4.380 2.972 2.414 3.700     .  0 0 "[    .    1    .    2]" 1 
        51 1  4 PHE QE   1 17 ARG QB   2.915 . 4.030 2.109 1.829 3.153     .  0 0 "[    .    1    .    2]" 1 
        52 1  5 ARG H    1  5 ARG HB2  2.445 . 3.090 2.756 2.513 2.923     .  0 0 "[    .    1    .    2]" 1 
        53 1  5 ARG H    1  5 ARG HB3  2.445 . 3.090 2.397 2.297 2.645     .  0 0 "[    .    1    .    2]" 1 
        54 1  5 ARG H    1  5 ARG HD2  3.650 . 5.500 5.049 4.752 5.294     .  0 0 "[    .    1    .    2]" 1 
        55 1  5 ARG H    1  5 ARG HD3  3.650 . 5.500 4.801 4.648 5.151     .  0 0 "[    .    1    .    2]" 1 
        56 1  5 ARG H    1  5 ARG HG2  3.300 . 4.800 4.347 4.263 4.531     .  0 0 "[    .    1    .    2]" 1 
        57 1  5 ARG H    1  5 ARG QG   2.990 . 4.180 3.956 3.913 4.046     .  0 0 "[    .    1    .    2]" 1 
        58 1  5 ARG H    1  5 ARG HG3  3.300 . 4.800 4.554 4.475 4.630     .  0 0 "[    .    1    .    2]" 1 
        59 1  5 ARG H    1  6 VAL H    3.440 . 5.080 4.443 4.371 4.503     .  0 0 "[    .    1    .    2]" 1 
        60 1  5 ARG HA   1  5 ARG HD2  3.650 . 5.500 4.362 4.278 4.449     .  0 0 "[    .    1    .    2]" 1 
        61 1  5 ARG HA   1  5 ARG QD   3.315 . 4.830 4.009 3.946 4.069     .  0 0 "[    .    1    .    2]" 1 
        62 1  5 ARG HA   1  5 ARG HD3  3.650 . 5.500 4.678 4.627 4.715     .  0 0 "[    .    1    .    2]" 1 
        63 1  5 ARG HA   1  5 ARG HE   3.530 . 5.260 5.181 4.889 5.300 0.040 12 0 "[    .    1    .    2]" 1 
        64 1  5 ARG HA   1  5 ARG HG2  2.765 . 3.730 3.174 2.992 3.331     .  0 0 "[    .    1    .    2]" 1 
        65 1  5 ARG HA   1  5 ARG HG3  2.765 . 3.730 2.639 2.488 2.731     .  0 0 "[    .    1    .    2]" 1 
        66 1  5 ARG HA   1  6 VAL H    2.115 . 2.430 2.161 2.083 2.214     .  0 0 "[    .    1    .    2]" 1 
        67 1  5 ARG HA   1 13 TYR H    3.435 . 5.070 4.541 4.317 4.783     .  0 0 "[    .    1    .    2]" 1 
        68 1  5 ARG QB   1  5 ARG QD   2.550 . 3.300 2.097 2.035 2.144     .  0 0 "[    .    1    .    2]" 1 
        69 1  5 ARG QB   1 12 CYS HB3  3.570 . 5.340 4.523 4.288 4.953     .  0 0 "[    .    1    .    2]" 1 
        70 1  5 ARG HB2  1  5 ARG HE   3.385 . 4.970 4.394 4.198 4.524     .  0 0 "[    .    1    .    2]" 1 
        71 1  5 ARG HB3  1  5 ARG HE   3.385 . 4.970 4.375 4.160 4.611     .  0 0 "[    .    1    .    2]" 1 
        72 1  5 ARG HD2  1  6 VAL H    3.650 . 5.500 5.442 5.269 5.533 0.033 18 0 "[    .    1    .    2]" 1 
        73 1  5 ARG HD3  1  6 VAL H    3.650 . 5.500 5.419 5.091 5.547 0.047 10 0 "[    .    1    .    2]" 1 
        74 1  5 ARG HE   1  5 ARG QG   2.735 . 3.670 2.294 2.192 2.482     .  0 0 "[    .    1    .    2]" 1 
        75 1  5 ARG QG   1  6 VAL H    2.695 . 3.590 2.811 2.556 2.962     .  0 0 "[    .    1    .    2]" 1 
        76 1  5 ARG HG2  1  6 VAL H    2.955 . 4.110 3.142 2.742 3.350     .  0 0 "[    .    1    .    2]" 1 
        77 1  5 ARG HG2  1 13 TYR H    3.460 . 5.120 4.487 3.587 5.016     .  0 0 "[    .    1    .    2]" 1 
        78 1  5 ARG HG3  1  6 VAL H    2.955 . 4.110 3.193 2.947 3.384     .  0 0 "[    .    1    .    2]" 1 
        79 1  5 ARG HG3  1 13 TYR H    3.460 . 5.120 4.174 3.762 4.623     .  0 0 "[    .    1    .    2]" 1 
        80 1  6 VAL H    1  6 VAL HB   2.515 . 3.230 2.699 2.608 2.773     .  0 0 "[    .    1    .    2]" 1 
        81 1  6 VAL H    1  6 VAL QG   2.580 . 3.360 2.578 2.360 2.780     .  0 0 "[    .    1    .    2]" 1 
        82 1  6 VAL H    1  7 CYS HA   3.530 . 5.260 4.658 4.596 4.732     .  0 0 "[    .    1    .    2]" 1 
        83 1  6 VAL H    1 12 CYS HA   3.265 . 4.730 4.156 4.022 4.297     .  0 0 "[    .    1    .    2]" 1 
        84 1  6 VAL H    1 12 CYS HB2  3.650 . 5.500 5.544 5.511 5.577 0.077 19 0 "[    .    1    .    2]" 1 
        85 1  6 VAL H    1 12 CYS HB3  3.185 . 4.570 3.990 3.911 4.074     .  0 0 "[    .    1    .    2]" 1 
        86 1  6 VAL H    1 13 TYR H    2.510 . 3.220 2.900 2.715 3.107     .  0 0 "[    .    1    .    2]" 1 
        87 1  6 VAL H    1 13 TYR HB2  3.650 . 5.500 5.219 5.019 5.399     .  0 0 "[    .    1    .    2]" 1 
        88 1  6 VAL HA   1  6 VAL QG   2.445 . 3.090 2.162 2.136 2.175     .  0 0 "[    .    1    .    2]" 1 
        89 1  6 VAL HA   1  7 CYS H    2.115 . 2.430 2.160 2.120 2.220     .  0 0 "[    .    1    .    2]" 1 
        90 1  6 VAL HA   1  7 CYS HA   3.255 . 4.710 4.350 4.325 4.383     .  0 0 "[    .    1    .    2]" 1 
        91 1  6 VAL HB   1 13 TYR H    3.180 . 4.560 3.330 3.071 3.657     .  0 0 "[    .    1    .    2]" 1 
        92 1  6 VAL HB   1 13 TYR QD   3.140 . 4.480 3.015 2.656 3.271     .  0 0 "[    .    1    .    2]" 1 
        93 1  6 VAL HB   1 13 TYR QE   3.650 . 5.500 2.657 2.304 2.976     .  0 0 "[    .    1    .    2]" 1 
        94 1  6 VAL HB   1 15 ARG H    3.420 . 5.040 4.860 4.466 5.074 0.034 16 0 "[    .    1    .    2]" 1 
        95 1  6 VAL QG   1  7 CYS H    2.620 . 3.440 2.744 2.499 2.931     .  0 0 "[    .    1    .    2]" 1 
        96 1  6 VAL QG   1  8 TYR H    3.445 . 5.090 3.910 3.703 4.079     .  0 0 "[    .    1    .    2]" 1 
        97 1  6 VAL QG   1 13 TYR H    3.270 . 4.740 3.890 3.748 4.090     .  0 0 "[    .    1    .    2]" 1 
        98 1  6 VAL QG   1 13 TYR QD   2.640 . 3.480 3.248 3.028 3.487 0.007 14 0 "[    .    1    .    2]" 1 
        99 1  6 VAL MG1  1 13 TYR H    3.605 . 5.410 4.295 4.062 4.487     .  0 0 "[    .    1    .    2]" 1 
       100 1  6 VAL MG2  1 13 TYR H    3.605 . 5.410 4.457 4.197 4.805     .  0 0 "[    .    1    .    2]" 1 
       101 1  7 CYS H    1  7 CYS HB2  2.315 . 2.830 2.539 2.472 2.631     .  0 0 "[    .    1    .    2]" 1 
       102 1  7 CYS H    1  7 CYS HB3  2.835 . 3.870 3.693 3.637 3.754     .  0 0 "[    .    1    .    2]" 1 
       103 1  7 CYS H    1  8 TYR H    3.230 . 4.660 4.248 4.164 4.309     .  0 0 "[    .    1    .    2]" 1 
       104 1  7 CYS HA   1  8 TYR H    2.120 . 2.440 2.058 1.999 2.108     .  0 0 "[    .    1    .    2]" 1 
       105 1  7 CYS HA   1 11 ILE H    3.555 . 5.310 4.595 4.329 4.858     .  0 0 "[    .    1    .    2]" 1 
       106 1  7 CYS HA   1 12 CYS H    3.225 . 4.650 4.239 4.147 4.361     .  0 0 "[    .    1    .    2]" 1 
       107 1  7 CYS HA   1 12 CYS HA   2.255 . 2.710 1.970 1.906 2.029     .  0 0 "[    .    1    .    2]" 1 
       108 1  7 CYS HA   1 12 CYS HB3  3.175 . 4.550 3.537 3.428 3.752     .  0 0 "[    .    1    .    2]" 1 
       109 1  7 CYS HA   1 13 TYR H    2.820 . 3.840 3.466 3.337 3.559     .  0 0 "[    .    1    .    2]" 1 
       110 1  7 CYS HA   1 13 TYR QD   3.650 . 5.500 4.838 4.505 5.175     .  0 0 "[    .    1    .    2]" 1 
       111 1  7 CYS HB2  1 10 GLY H    3.650 . 5.500 4.853 4.198 5.405     .  0 0 "[    .    1    .    2]" 1 
       112 1  7 CYS HB2  1 12 CYS HA   3.650 . 5.500 4.676 4.573 4.755     .  0 0 "[    .    1    .    2]" 1 
       113 1  7 CYS HB3  1  8 TYR H    2.615 . 3.430 3.394 3.237 3.453 0.023  9 0 "[    .    1    .    2]" 1 
       114 1  7 CYS HB3  1 10 GLY H    2.965 . 4.130 3.502 3.080 4.048     .  0 0 "[    .    1    .    2]" 1 
       115 1  7 CYS HB3  1 11 ILE H    3.650 . 5.500 4.682 4.219 5.069     .  0 0 "[    .    1    .    2]" 1 
       116 1  7 CYS HB3  1 12 CYS HA   3.215 . 4.630 3.932 3.730 4.091     .  0 0 "[    .    1    .    2]" 1 
       117 1  8 TYR H    1  8 TYR HB2  2.670 . 3.540 3.005 2.769 3.165     .  0 0 "[    .    1    .    2]" 1 
       118 1  8 TYR H    1  8 TYR HB3  2.770 . 3.740 2.612 2.398 2.835     .  0 0 "[    .    1    .    2]" 1 
       119 1  8 TYR H    1  8 TYR QD   3.210 . 4.620 4.292 4.138 4.415     .  0 0 "[    .    1    .    2]" 1 
       120 1  8 TYR H    1  9 ARG HA   3.650 . 5.500 5.540 5.513 5.592 0.092 14 0 "[    .    1    .    2]" 1 
       121 1  8 TYR H    1 10 GLY H    3.005 . 4.210 3.552 3.423 3.768     .  0 0 "[    .    1    .    2]" 1 
       122 1  8 TYR H    1 11 ILE H    2.720 . 3.640 3.244 2.978 3.519     .  0 0 "[    .    1    .    2]" 1 
       123 1  8 TYR H    1 11 ILE HB   2.995 . 4.190 3.453 3.041 3.931     .  0 0 "[    .    1    .    2]" 1 
       124 1  8 TYR H    1 11 ILE MG   3.490 . 5.180 4.190 3.973 4.414     .  0 0 "[    .    1    .    2]" 1 
       125 1  8 TYR H    1 12 CYS HA   2.735 . 3.670 3.196 3.055 3.363     .  0 0 "[    .    1    .    2]" 1 
       126 1  8 TYR H    1 13 TYR QE   3.540 . 5.280 3.822 3.262 4.172     .  0 0 "[    .    1    .    2]" 1 
       127 1  8 TYR HA   1  8 TYR HB2  2.340 . 2.880 2.501 2.440 2.586     .  0 0 "[    .    1    .    2]" 1 
       128 1  8 TYR HA   1  8 TYR QD   2.610 . 3.420 2.745 2.434 3.145     .  0 0 "[    .    1    .    2]" 1 
       129 1  8 TYR HA   1  9 ARG H    2.270 . 2.740 2.114 2.066 2.184     .  0 0 "[    .    1    .    2]" 1 
       130 1  8 TYR HA   1  9 ARG QB   3.475 . 5.150 4.437 4.298 4.554     .  0 0 "[    .    1    .    2]" 1 
       131 1  8 TYR HB2  1  9 ARG H    3.360 . 4.920 4.436 4.348 4.559     .  0 0 "[    .    1    .    2]" 1 
       132 1  8 TYR HB2  1 12 CYS HA   3.650 . 5.500 5.440 5.134 5.536 0.036  8 0 "[    .    1    .    2]" 1 
       133 1  8 TYR HB2  1 13 TYR QE   3.185 . 4.570 3.105 2.207 3.976     .  0 0 "[    .    1    .    2]" 1 
       134 1  8 TYR HB3  1  9 ARG H    3.060 . 4.320 4.319 4.160 4.372 0.052  1 0 "[    .    1    .    2]" 1 
       135 1  8 TYR HB3  1 10 GLY H    3.650 . 5.500 5.076 4.883 5.306     .  0 0 "[    .    1    .    2]" 1 
       136 1  8 TYR HB3  1 11 ILE H    3.270 . 4.740 4.289 3.928 4.757 0.017 10 0 "[    .    1    .    2]" 1 
       137 1  8 TYR HB3  1 12 CYS HA   3.650 . 5.500 5.152 4.879 5.445     .  0 0 "[    .    1    .    2]" 1 
       138 1  8 TYR HB3  1 13 TYR QE   3.275 . 4.750 2.410 2.080 2.885     .  0 0 "[    .    1    .    2]" 1 
       139 1  8 TYR QD   1  9 ARG H    2.990 . 4.180 3.981 3.564 4.184 0.004 20 0 "[    .    1    .    2]" 1 
       140 1  8 TYR QD   1  9 ARG QB   2.900 . 4.000 3.441 2.679 3.984     .  0 0 "[    .    1    .    2]" 1 
       141 1  8 TYR QD   1  9 ARG QG   3.370 . 4.940 3.256 2.650 3.989     .  0 0 "[    .    1    .    2]" 1 
       142 1  9 ARG H    1  9 ARG HA   2.170 . 2.540 2.236 2.208 2.267     .  0 0 "[    .    1    .    2]" 1 
       143 1  9 ARG H    1  9 ARG HB2  3.000 . 4.200 3.576 3.420 3.652     .  0 0 "[    .    1    .    2]" 1 
       144 1  9 ARG H    1  9 ARG HB3  3.000 . 4.200 4.076 4.028 4.108     .  0 0 "[    .    1    .    2]" 1 
       145 1  9 ARG H    1  9 ARG HG2  2.790 . 3.780 3.534 3.361 3.670     .  0 0 "[    .    1    .    2]" 1 
       146 1  9 ARG H    1  9 ARG QG   2.535 . 3.270 2.815 2.603 2.909     .  0 0 "[    .    1    .    2]" 1 
       147 1  9 ARG H    1  9 ARG HG3  2.790 . 3.780 2.960 2.700 3.074     .  0 0 "[    .    1    .    2]" 1 
       148 1  9 ARG H    1 10 GLY H    2.610 . 3.420 2.634 2.522 2.761     .  0 0 "[    .    1    .    2]" 1 
       149 1  9 ARG H    1 11 ILE H    3.175 . 4.550 4.206 3.989 4.423     .  0 0 "[    .    1    .    2]" 1 
       150 1  9 ARG HA   1  9 ARG HD2  3.650 . 5.500 4.583 4.257 4.876     .  0 0 "[    .    1    .    2]" 1 
       151 1  9 ARG HA   1  9 ARG HD3  3.650 . 5.500 4.556 4.289 4.831     .  0 0 "[    .    1    .    2]" 1 
       152 1  9 ARG HA   1  9 ARG HE   3.650 . 5.500 4.686 3.982 5.334     .  0 0 "[    .    1    .    2]" 1 
       153 1  9 ARG HA   1  9 ARG HG2  2.905 . 4.010 2.537 2.408 2.627     .  0 0 "[    .    1    .    2]" 1 
       154 1  9 ARG HA   1  9 ARG QG   2.490 . 3.180 2.421 2.305 2.488     .  0 0 "[    .    1    .    2]" 1 
       155 1  9 ARG HA   1  9 ARG HG3  2.905 . 4.010 3.068 2.877 3.222     .  0 0 "[    .    1    .    2]" 1 
       156 1  9 ARG HA   1 10 GLY H    2.440 . 3.080 2.907 2.711 3.039     .  0 0 "[    .    1    .    2]" 1 
       157 1  9 ARG HA   1 11 ILE H    3.320 . 4.840 4.394 4.281 4.559     .  0 0 "[    .    1    .    2]" 1 
       158 1  9 ARG QB   1  9 ARG QD   2.545 . 3.290 2.235 2.060 2.374     .  0 0 "[    .    1    .    2]" 1 
       159 1  9 ARG QB   1  9 ARG HE   3.160 . 4.520 2.848 1.870 3.914     .  0 0 "[    .    1    .    2]" 1 
       160 1  9 ARG QB   1 10 GLY H    2.980 . 4.160 3.759 3.673 3.859     .  0 0 "[    .    1    .    2]" 1 
       161 1  9 ARG QB   1 11 ILE H    3.180 . 4.560 3.455 3.265 3.773     .  0 0 "[    .    1    .    2]" 1 
       162 1  9 ARG HB2  1  9 ARG HE   3.525 . 5.250 3.378 1.893 4.473     .  0 0 "[    .    1    .    2]" 1 
       163 1  9 ARG HB3  1  9 ARG HE   3.525 . 5.250 3.388 1.954 4.533     .  0 0 "[    .    1    .    2]" 1 
       164 1  9 ARG HE   1  9 ARG QG   2.630 . 3.460 2.418 2.185 2.777     .  0 0 "[    .    1    .    2]" 1 
       165 1 10 GLY H    1 10 GLY QA   2.185 . 2.570 2.294 2.255 2.328     .  0 0 "[    .    1    .    2]" 1 
       166 1 10 GLY H    1 11 ILE H    2.465 . 3.130 2.564 2.333 2.801     .  0 0 "[    .    1    .    2]" 1 
       167 1 11 ILE H    1 11 ILE HB   2.410 . 3.020 2.504 2.422 2.598     .  0 0 "[    .    1    .    2]" 1 
       168 1 11 ILE H    1 11 ILE MD   2.835 . 3.870 3.678 3.469 3.828     .  0 0 "[    .    1    .    2]" 1 
       169 1 11 ILE H    1 11 ILE HG12 2.705 . 3.610 3.482 2.272 3.619 0.009  8 0 "[    .    1    .    2]" 1 
       170 1 11 ILE H    1 11 ILE HG13 2.705 . 3.610 2.386 2.115 3.657 0.047 10 0 "[    .    1    .    2]" 1 
       171 1 11 ILE H    1 11 ILE MG   2.900 . 4.000 3.778 3.756 3.821     .  0 0 "[    .    1    .    2]" 1 
       172 1 11 ILE H    1 12 CYS HA   3.625 . 5.450 4.995 4.829 5.084     .  0 0 "[    .    1    .    2]" 1 
       173 1 11 ILE HA   1 11 ILE MD   2.920 . 4.040 3.779 2.067 3.893     .  0 0 "[    .    1    .    2]" 1 
       174 1 11 ILE HA   1 11 ILE HG12 2.865 . 3.930 2.610 2.494 2.924     .  0 0 "[    .    1    .    2]" 1 
       175 1 11 ILE HA   1 11 ILE QG   2.615 . 3.430 2.483 2.390 2.826     .  0 0 "[    .    1    .    2]" 1 
       176 1 11 ILE HA   1 11 ILE HG13 2.865 . 3.930 3.115 3.030 3.747     .  0 0 "[    .    1    .    2]" 1 
       177 1 11 ILE HA   1 11 ILE MG   2.460 . 3.120 2.402 2.341 2.453     .  0 0 "[    .    1    .    2]" 1 
       178 1 11 ILE HA   1 12 CYS H    2.115 . 2.430 2.160 2.038 2.199     .  0 0 "[    .    1    .    2]" 1 
       179 1 11 ILE HA   1 12 CYS HA   3.300 . 4.800 4.359 4.304 4.380     .  0 0 "[    .    1    .    2]" 1 
       180 1 11 ILE HB   1 11 ILE MD   2.485 . 3.170 2.476 2.401 3.227 0.057 10 0 "[    .    1    .    2]" 1 
       181 1 11 ILE HB   1 12 CYS H    3.080 . 4.360 4.278 4.067 4.359     .  0 0 "[    .    1    .    2]" 1 
       182 1 11 ILE HB   1 13 TYR QE   3.105 . 4.410 3.719 3.191 4.206     .  0 0 "[    .    1    .    2]" 1 
       183 1 11 ILE MD   1 12 CYS H    3.585 . 5.370 5.247 3.579 5.393 0.023  1 0 "[    .    1    .    2]" 1 
       184 1 11 ILE QG   1 11 ILE MG   2.325 . 2.850 2.331 2.309 2.363     .  0 0 "[    .    1    .    2]" 1 
       185 1 11 ILE QG   1 12 CYS H    3.090 . 4.380 4.319 4.120 4.482 0.102 10 0 "[    .    1    .    2]" 1 
       186 1 11 ILE HG12 1 11 ILE MG   2.560 . 3.320 2.432 2.366 3.194     .  0 0 "[    .    1    .    2]" 1 
       187 1 11 ILE HG13 1 11 ILE MG   2.560 . 3.320 3.173 2.428 3.220     .  0 0 "[    .    1    .    2]" 1 
       188 1 11 ILE MG   1 12 CYS H    2.580 . 3.360 2.983 2.635 3.133     .  0 0 "[    .    1    .    2]" 1 
       189 1 11 ILE MG   1 12 CYS HA   3.225 . 4.650 3.810 3.707 3.928     .  0 0 "[    .    1    .    2]" 1 
       190 1 11 ILE MG   1 13 TYR H    3.330 . 4.860 4.186 3.941 4.676     .  0 0 "[    .    1    .    2]" 1 
       191 1 11 ILE MG   1 13 TYR QD   2.860 . 3.920 2.257 2.025 2.579     .  0 0 "[    .    1    .    2]" 1 
       192 1 11 ILE MG   1 13 TYR QE   2.805 . 3.810 3.562 2.707 3.816 0.006  9 0 "[    .    1    .    2]" 1 
       193 1 12 CYS H    1 12 CYS HB2  2.310 . 2.820 2.639 2.581 2.715     .  0 0 "[    .    1    .    2]" 1 
       194 1 12 CYS H    1 12 CYS HB3  2.860 . 3.920 3.714 3.683 3.750     .  0 0 "[    .    1    .    2]" 1 
       195 1 12 CYS H    1 13 TYR H    3.315 . 4.830 4.335 4.250 4.489     .  0 0 "[    .    1    .    2]" 1 
       196 1 12 CYS HA   1 13 TYR H    2.125 . 2.450 2.062 2.000 2.140     .  0 0 "[    .    1    .    2]" 1 
       197 1 12 CYS HA   1 13 TYR QD   2.930 . 4.060 3.884 3.526 4.072 0.012 16 0 "[    .    1    .    2]" 1 
       198 1 12 CYS HB2  1 13 TYR H    2.935 . 4.070 4.028 3.850 4.107 0.037 20 0 "[    .    1    .    2]" 1 
       199 1 12 CYS HB3  1 13 TYR H    2.545 . 3.290 3.153 2.856 3.299 0.009 15 0 "[    .    1    .    2]" 1 
       200 1 13 TYR H    1 13 TYR HB2  2.895 . 3.990 3.755 3.673 3.808     .  0 0 "[    .    1    .    2]" 1 
       201 1 13 TYR H    1 13 TYR HB3  2.825 . 3.850 3.394 3.273 3.524     .  0 0 "[    .    1    .    2]" 1 
       202 1 13 TYR H    1 13 TYR QD   2.610 . 3.420 3.128 2.997 3.249     .  0 0 "[    .    1    .    2]" 1 
       203 1 13 TYR H    1 13 TYR QE   3.445 . 5.090 4.266 4.136 4.375     .  0 0 "[    .    1    .    2]" 1 
       204 1 13 TYR H    1 14 ARG H    3.100 . 4.400 4.369 4.312 4.413 0.013 14 0 "[    .    1    .    2]" 1 
       205 1 13 TYR HA   1 14 ARG H    2.440 . 3.080 2.336 2.168 2.524     .  0 0 "[    .    1    .    2]" 1 
       206 1 13 TYR HB2  1 14 ARG H    2.435 . 3.070 2.568 2.229 2.863     .  0 0 "[    .    1    .    2]" 1 
       207 1 13 TYR QD   1 14 ARG H    3.120 . 4.440 3.824 3.410 4.163     .  0 0 "[    .    1    .    2]" 1 
       208 1 13 TYR QD   1 15 ARG HB2  2.855 . 3.910 3.977 3.840 4.042 0.132  6 0 "[    .    1    .    2]" 1 
       209 1 13 TYR QD   1 15 ARG HB3  3.295 . 4.790 4.778 4.690 4.843 0.053  3 0 "[    .    1    .    2]" 1 
       210 1 13 TYR QD   1 15 ARG QD   3.105 . 4.410 3.013 2.463 3.568     .  0 0 "[    .    1    .    2]" 1 
       211 1 13 TYR QD   1 15 ARG HG2  2.905 . 4.010 1.865 1.819 1.970     .  0 0 "[    .    1    .    2]" 1 
       212 1 13 TYR QD   1 15 ARG HG3  3.195 . 4.590 3.168 2.707 3.536     .  0 0 "[    .    1    .    2]" 1 
       213 1 13 TYR QE   1 15 ARG HB2  3.165 . 4.530 4.182 3.850 4.542 0.012 16 0 "[    .    1    .    2]" 1 
       214 1 13 TYR QE   1 15 ARG QD   3.115 . 4.430 3.349 2.572 4.357     .  0 0 "[    .    1    .    2]" 1 
       215 1 13 TYR QE   1 15 ARG HG2  2.930 . 4.060 2.695 2.149 3.357     .  0 0 "[    .    1    .    2]" 1 
       216 1 13 TYR QE   1 15 ARG HG3  3.090 . 4.380 2.521 2.203 2.832     .  0 0 "[    .    1    .    2]" 1 
       217 1 14 ARG H    1 14 ARG QB   2.275 . 2.750 2.347 2.242 2.542     .  0 0 "[    .    1    .    2]" 1 
       218 1 14 ARG H    1 14 ARG HG2  3.405 . 5.010 4.202 2.500 4.710     .  0 0 "[    .    1    .    2]" 1 
       219 1 14 ARG H    1 14 ARG QG   2.980 . 4.160 3.748 2.467 4.169 0.009  1 0 "[    .    1    .    2]" 1 
       220 1 14 ARG H    1 14 ARG HG3  3.405 . 5.010 4.364 3.785 4.787     .  0 0 "[    .    1    .    2]" 1 
       221 1 14 ARG HA   1 14 ARG HE   3.160 . 4.520 3.994 3.220 4.580 0.060  1 0 "[    .    1    .    2]" 1 
       222 1 14 ARG QB   1 14 ARG QD   2.565 . 3.330 2.524 2.234 2.829     .  0 0 "[    .    1    .    2]" 1 
       223 1 14 ARG QB   1 14 ARG HE   3.560 . 5.320 2.620 1.802 4.072     .  0 0 "[    .    1    .    2]" 1 
       224 1 14 ARG QD   1 15 ARG H    3.285 . 4.770 3.613 2.595 4.789 0.019 18 0 "[    .    1    .    2]" 1 
       225 1 15 ARG H    1 15 ARG HB2  2.470 . 3.140 2.513 2.338 2.672     .  0 0 "[    .    1    .    2]" 1 
       226 1 15 ARG H    1 15 ARG HB3  2.860 . 3.920 3.709 3.613 3.808     .  0 0 "[    .    1    .    2]" 1 
       227 1 15 ARG H    1 15 ARG HG2  2.710 . 3.620 3.160 2.930 3.364     .  0 0 "[    .    1    .    2]" 1 
       228 1 15 ARG HA   1 15 ARG HD2  2.840 . 3.880 2.781 1.991 3.893 0.013  8 0 "[    .    1    .    2]" 1 
       229 1 15 ARG HA   1 15 ARG HD3  2.840 . 3.880 3.154 1.935 3.682     .  0 0 "[    .    1    .    2]" 1 
       230 1 15 ARG HA   1 15 ARG HE   3.520 . 5.240 3.123 1.782 4.681 0.018 19 0 "[    .    1    .    2]" 1 
       231 1 15 ARG HA   1 15 ARG HG2  2.750 . 3.700 2.997 2.788 3.154     .  0 0 "[    .    1    .    2]" 1 
       232 1 15 ARG HA   1 15 ARG HG3  2.860 . 3.920 3.740 3.694 3.820     .  0 0 "[    .    1    .    2]" 1 
       233 1 15 ARG HA   1 16 CYS H    2.155 . 2.510 2.246 2.034 2.422     .  0 0 "[    .    1    .    2]" 1 
       234 1 15 ARG HB2  1 15 ARG HE   3.310 . 4.820 3.879 3.503 4.756     .  0 0 "[    .    1    .    2]" 1 
       235 1 15 ARG HB2  1 16 CYS H    2.970 . 4.140 3.961 3.736 4.198 0.058 15 0 "[    .    1    .    2]" 1 
       236 1 15 ARG HB2  1 16 CYS HA   3.450 . 5.100 4.841 4.688 5.013     .  0 0 "[    .    1    .    2]" 1 
       237 1 15 ARG HB3  1 15 ARG QD   2.720 . 3.640 2.730 2.393 3.135     .  0 0 "[    .    1    .    2]" 1 
       238 1 15 ARG HB3  1 15 ARG HE   3.015 . 4.230 3.033 2.012 4.274 0.044  2 0 "[    .    1    .    2]" 1 
       239 1 15 ARG HB3  1 16 CYS HA   3.195 . 4.590 4.388 4.106 4.582     .  0 0 "[    .    1    .    2]" 1 
       240 1 15 ARG HB3  1 16 CYS HB2  3.650 . 5.500 5.352 5.187 5.531 0.031 14 0 "[    .    1    .    2]" 1 
       241 1 15 ARG HE   1 15 ARG HG2  2.785 . 3.770 3.107 2.384 3.617     .  0 0 "[    .    1    .    2]" 1 
       242 1 15 ARG HE   1 15 ARG HG3  2.910 . 4.020 2.896 2.413 3.663     .  0 0 "[    .    1    .    2]" 1 
       243 1 16 CYS H    1 16 CYS HB2  2.330 . 2.860 2.624 2.416 2.778     .  0 0 "[    .    1    .    2]" 1 
       244 1 16 CYS H    1 17 ARG H    3.230 . 4.660 4.210 3.916 4.390     .  0 0 "[    .    1    .    2]" 1 
       245 1 16 CYS HA   1 17 ARG H    2.130 . 2.460 2.098 2.001 2.234     .  0 0 "[    .    1    .    2]" 1 
       246 1 17 ARG H    1 17 ARG HB2  2.695 . 3.590 3.027 2.758 3.681 0.091 15 0 "[    .    1    .    2]" 1 
       247 1 17 ARG H    1 17 ARG HB3  2.695 . 3.590 2.620 2.338 3.151     .  0 0 "[    .    1    .    2]" 1 
       248 1 17 ARG H    1 17 ARG HD2  3.650 . 5.500 5.125 4.439 5.506 0.006 16 0 "[    .    1    .    2]" 1 
       249 1 17 ARG H    1 17 ARG HD3  3.650 . 5.500 5.021 4.642 5.342     .  0 0 "[    .    1    .    2]" 1 
       250 1 17 ARG H    1 17 ARG HG2  3.400 . 5.000 4.362 2.235 4.913     .  0 0 "[    .    1    .    2]" 1 
       251 1 17 ARG H    1 17 ARG QG   3.095 . 4.390 3.945 2.181 4.231     .  0 0 "[    .    1    .    2]" 1 
       252 1 17 ARG H    1 17 ARG HG3  3.400 . 5.000 4.546 3.043 4.891     .  0 0 "[    .    1    .    2]" 1 
       253 1 17 ARG H    1 18 GLY H    3.650 . 5.500 3.845 3.380 4.234     .  0 0 "[    .    1    .    2]" 1 
       254 1 17 ARG HA   1 17 ARG HD2  3.650 . 5.500 4.016 1.939 4.776     .  0 0 "[    .    1    .    2]" 1 
       255 1 17 ARG HA   1 17 ARG QD   3.270 . 4.740 3.681 1.918 4.511     .  0 0 "[    .    1    .    2]" 1 
       256 1 17 ARG HA   1 17 ARG HD3  3.650 . 5.500 4.391 2.849 5.545 0.045 15 0 "[    .    1    .    2]" 1 
       257 1 17 ARG HA   1 17 ARG HE   3.650 . 5.500 4.970 4.506 5.444     .  0 0 "[    .    1    .    2]" 1 
       258 1 17 ARG HA   1 17 ARG HG2  2.890 . 3.980 3.246 2.510 3.866     .  0 0 "[    .    1    .    2]" 1 
       259 1 17 ARG HA   1 17 ARG HG3  2.890 . 3.980 2.800 2.517 3.831     .  0 0 "[    .    1    .    2]" 1 
       260 1 17 ARG HA   1 18 GLY H    2.200 . 2.600 2.170 2.080 2.303     .  0 0 "[    .    1    .    2]" 1 
       261 1 17 ARG HA   1 18 GLY HA2  3.160 . 4.520 4.354 4.293 4.447     .  0 0 "[    .    1    .    2]" 1 
       262 1 17 ARG HA   1 18 GLY HA3  3.380 . 4.960 4.342 4.293 4.437     .  0 0 "[    .    1    .    2]" 1 
       263 1 17 ARG QB   1 17 ARG QG   2.070 . 2.340 2.065 1.992 2.086     .  0 0 "[    .    1    .    2]" 1 
       264 1 17 ARG QB   1 18 GLY H    3.135 . 4.470 3.938 3.499 4.009     .  0 0 "[    .    1    .    2]" 1 
       265 1 17 ARG HB2  1 17 ARG HE   3.650 . 5.500 4.289 2.170 4.631     .  0 0 "[    .    1    .    2]" 1 
       266 1 17 ARG HB2  1 18 GLY H    3.480 . 5.160 4.456 3.692 4.563     .  0 0 "[    .    1    .    2]" 1 
       267 1 17 ARG HB3  1 17 ARG HE   3.650 . 5.500 4.342 3.335 4.617     .  0 0 "[    .    1    .    2]" 1 
       268 1 17 ARG HB3  1 18 GLY H    3.480 . 5.160 4.399 4.261 4.482     .  0 0 "[    .    1    .    2]" 1 
       269 1 17 ARG QG   1 18 GLY H    3.160 . 4.520 3.664 3.149 4.399     .  0 0 "[    .    1    .    2]" 1 
       270 1 17 ARG QG   1 18 GLY HA3  3.420 . 5.040 3.974 3.616 5.074 0.034 14 0 "[    .    1    .    2]" 1 
       271 1 17 ARG HG2  1 18 GLY H    3.585 . 5.370 4.230 3.542 5.352     .  0 0 "[    .    1    .    2]" 1 
       272 1 17 ARG HG3  1 18 GLY H    3.585 . 5.370 4.117 3.528 5.220     .  0 0 "[    .    1    .    2]" 1 
       273 1 18 GLY H    1 18 GLY HA2  2.320 . 2.840 2.301 2.273 2.327     .  0 0 "[    .    1    .    2]" 1 
    stop_

save_



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