NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing in_recoord stage program type subtype subsubtype
372903 1dkc 4615 cing recoord 4-filtered-FRED Wattos check violation distance


data_1dkc


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              285
    _Distance_constraint_stats_list.Viol_count                    430
    _Distance_constraint_stats_list.Viol_total                    455.452
    _Distance_constraint_stats_list.Viol_max                      0.497
    _Distance_constraint_stats_list.Viol_rms                      0.0492
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0160
    _Distance_constraint_stats_list.Viol_average_violations_only  0.1059
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       
;
Description of the tags in this list:
*  1 * Administrative tag
*  2 * Administrative tag
*  3 * Administrative tag
*  4 * ID of the restraint list.                                                              
*  5 * Number of restraints in list.                                                          
*  6 * Number of violated restraints (each model violation is used).                          
*  7 * Sum of violations in Angstrom.                                                         
*  8 * Maximum violation of a restraint without averaging in any way.                         
*  9 * Rms of violations over all restraints.                                                 
*  10 * Average violation over all restraints.                                                 
*  11 * Average violation over violated restraints.                                            
           This violation is averaged over only those models in which the restraint is violated.   
           These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).     
*  12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
*  13 * This tag                                                                               

Description of the tags in the per residue table below:
*  1 * Chain identifier (can be absent if none defined)                   
*  2 * Residue number                                                     
*  3 * Residue name                                                       
*  4 * Maximum violation in ensemble of models (without any averaging)
*  5 * Model number with the maximum violation
*  6 * Number of models with a violation above cutoff
*  7 * List of models (1 character per model) with a violation above cutoff.
           An '*' marks a violation above the cutoff. A '+' indicates the largest
           violation above the cutoff and a '-' marks the smallest violation over cutoff.
           For models  5, 15, 25,... a ' ' is replaced by a '.'.
           For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
*  8 * Administrative tag
*  9 * Administrative tag

Description of the tags in the per restraint table below:
*  1 * Restraint ID within restraint list.                                
           First node, FIRST member, first atom's:                              
*  2 * Chain identifier (can be absent if none defined)                   
*  3 * Residue number                                                     
*  4 * Residue name                                                       
*  5 * Name of (pseudo-)atom                                              
           First node, SECOND member, first atom's:                             
*  6 * Chain identifier (can be absent if none defined)                   
*  7 * Residue number                                                     
*  8 * Residue name                                                       
*  9 * Name of (pseudo-)atom                                              
           FIRST node's:
*  10 * Target distance value (Angstrom)
*  11 * Lower bound distance (Angstrom)
*  12 * Upper bound distance (Angstrom)
*  13 * Average distance in ensemble of models
*  14 * Minimum distance in ensemble of models
*  15 * Maximum distance in ensemble of models
*  16 * Maximum violation (without any averaging)
*  17 * Model number with the maximum violation
*  18 * Number of models with a violation above cutoff
*  19 * List of models with a violation above cutoff. See description above.
*  20 * Administrative tag
*  21 * Administrative tag
;


    loop_
       _Distance_constraint_stats_per_res.Atom_entity_assembly_ID
       _Distance_constraint_stats_per_res.Atom_comp_index_ID
       _Distance_constraint_stats_per_res.Atom_comp_ID
       _Distance_constraint_stats_per_res.Total_violation
       _Distance_constraint_stats_per_res.Max_violation
       _Distance_constraint_stats_per_res.Max_violation_model_number
       _Distance_constraint_stats_per_res.Over_cutoff_viol_count
       _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model

       1  1 ALA 0.062 0.062 10 0 "[    .    1]" 
       1  2 GLY 0.062 0.062 10 0 "[    .    1]" 
       1  3 CYS 0.009 0.009  9 0 "[    .    1]" 
       1  4 ILE 0.467 0.108  1 0 "[    .    1]" 
       1  5 LYS 1.536 0.224 10 0 "[    .    1]" 
       1  6 ASN 0.000 0.000  . 0 "[    .    1]" 
       1  7 GLY 0.000 0.000  . 0 "[    .    1]" 
       1  8 GLY 0.163 0.042  6 0 "[    .    1]" 
       1  9 ARG 0.445 0.114  4 0 "[    .    1]" 
       1 10 CYS 0.944 0.165  3 0 "[    .    1]" 
       1 11 ASN 0.806 0.165  3 0 "[    .    1]" 
       1 12 ALA 0.533 0.102  7 0 "[    .    1]" 
       1 13 SER 0.533 0.102  7 0 "[    .    1]" 
       1 14 ALA 0.000 0.000  . 0 "[    .    1]" 
       1 15 GLY 0.000 0.000  . 0 "[    .    1]" 
       1 16 PRO 0.000 0.000  . 0 "[    .    1]" 
       1 17 PRO 0.000 0.000  . 0 "[    .    1]" 
       1 18 TYR 2.063 0.218  2 0 "[    .    1]" 
       1 19 CYS 1.717 0.124  1 0 "[    .    1]" 
       1 20 CYS 3.415 0.150  2 0 "[    .    1]" 
       1 21 SER 3.445 0.188 10 0 "[    .    1]" 
       1 22 SER 1.903 0.193  4 0 "[    .    1]" 
       1 23 TYR 7.444 0.315  2 0 "[    .    1]" 
       1 24 CYS 7.542 0.497  3 0 "[    .    1]" 
       1 25 PHE 4.917 0.282  3 0 "[    .    1]" 
       1 26 GLN 3.467 0.224  6 0 "[    .    1]" 
       1 27 ILE 1.427 0.144  5 0 "[    .    1]" 
       1 28 ALA 0.266 0.068 10 0 "[    .    1]" 
       1 29 GLY 0.666 0.161  3 0 "[    .    1]" 
       1 30 GLN 0.748 0.161  3 0 "[    .    1]" 
       1 31 SER 1.034 0.121  2 0 "[    .    1]" 
       1 32 TYR 3.222 0.220  1 0 "[    .    1]" 
       1 33 GLY 1.758 0.158  3 0 "[    .    1]" 
       1 34 VAL 5.082 0.256  5 0 "[    .    1]" 
       1 35 CYS 4.434 0.256  7 0 "[    .    1]" 
       1 36 LYS 6.363 0.256  7 0 "[    .    1]" 
       1 37 ASN 0.603 0.099  2 0 "[    .    1]" 
       1 38 ARG 2.023 0.250  8 0 "[    .    1]" 
    stop_

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

         1 1  1 ALA HA  1  2 GLY H   2.500     . 2.700 2.453 2.224 2.762 0.062 10 0 "[    .    1]" 1 
         2 1  1 ALA MB  1  2 GLY H   3.100     . 5.000 2.765 2.065 3.523     .  0 0 "[    .    1]" 1 
         3 1  2 GLY H   1  2 GLY QA  2.600     . 2.700 2.285 2.249 2.334     .  0 0 "[    .    1]" 1 
         4 1  2 GLY QA  1  3 CYS H   2.400     . 3.700 2.257 2.159 2.324     .  0 0 "[    .    1]" 1 
         5 1  3 CYS CB  1 20 CYS SG  3.000 2.500 3.500 3.055 3.036 3.079     .  0 0 "[    .    1]" 1 
         6 1  3 CYS H   1  3 CYS HB2 3.500     . 5.000 3.855 3.524 3.995     .  0 0 "[    .    1]" 1 
         7 1  3 CYS H   1  3 CYS HB3 2.900     . 3.500 3.062 2.224 3.509 0.009  9 0 "[    .    1]" 1 
         8 1  3 CYS H   1  4 ILE H   4.200     . 5.000 4.474 4.374 4.656     .  0 0 "[    .    1]" 1 
         9 1  3 CYS HA  1  3 CYS HB2 2.400     . 2.700 2.427 2.340 2.553     .  0 0 "[    .    1]" 1 
        10 1  3 CYS HA  1  3 CYS HB3 2.400     . 2.700 2.532 2.397 2.628     .  0 0 "[    .    1]" 1 
        11 1  3 CYS HA  1  4 ILE H   2.200     . 2.700 2.406 2.238 2.559     .  0 0 "[    .    1]" 1 
        12 1  3 CYS QB  1  4 ILE H   2.400     . 3.700 2.740 2.326 3.200     .  0 0 "[    .    1]" 1 
        13 1  3 CYS SG  1 20 CYS CB  3.000 2.500 3.500 3.051 3.037 3.060     .  0 0 "[    .    1]" 1 
        14 1  4 ILE H   1  4 ILE HB  2.200     . 2.700 2.510 2.399 2.593     .  0 0 "[    .    1]" 1 
        15 1  4 ILE H   1 20 CYS H   2.700     . 3.500 3.436 2.794 3.608 0.108  1 0 "[    .    1]" 1 
        16 1  5 LYS H   1  5 LYS HA  2.100     . 2.700 2.854 2.789 2.924 0.224 10 0 "[    .    1]" 1 
        17 1  5 LYS H   1  5 LYS QB  2.100     . 2.700 2.112 1.933 2.248     .  0 0 "[    .    1]" 1 
        18 1  6 ASN H   1  6 ASN QB  2.900     . 3.500 2.601 2.042 3.250     .  0 0 "[    .    1]" 1 
        19 1  6 ASN HA  1  6 ASN QB  2.600     . 2.700 2.383 2.185 2.552     .  0 0 "[    .    1]" 1 
        20 1  7 GLY H   1  8 GLY H   2.400     . 2.700 2.452 2.304 2.622     .  0 0 "[    .    1]" 1 
        21 1  8 GLY H   1  9 ARG H   4.300     . 5.000 4.451 4.303 4.618     .  0 0 "[    .    1]" 1 
        22 1  8 GLY H   1 35 CYS H   3.300     . 3.500 2.537 2.266 3.049     .  0 0 "[    .    1]" 1 
        23 1  8 GLY H   1 35 CYS O   2.300     . 2.500 2.338 1.976 2.542 0.042  6 0 "[    .    1]" 1 
        24 1  8 GLY QA  1  9 ARG H   2.300     . 3.700 2.295 2.239 2.359     .  0 0 "[    .    1]" 1 
        25 1  8 GLY N   1 35 CYS O   3.300 2.500 3.500 3.242 2.915 3.436     .  0 0 "[    .    1]" 1 
        26 1  8 GLY O   1 35 CYS H   2.300     . 2.500 2.147 1.540 2.527 0.027  8 0 "[    .    1]" 1 
        27 1  8 GLY O   1 35 CYS N   3.300 2.500 3.500 3.024 2.491 3.372 0.009  1 0 "[    .    1]" 1 
        28 1  9 ARG H   1  9 ARG HA  2.800     . 3.500 2.994 2.985 3.002     .  0 0 "[    .    1]" 1 
        29 1  9 ARG H   1  9 ARG QB  2.200     . 2.700 2.471 2.214 2.579     .  0 0 "[    .    1]" 1 
        30 1  9 ARG H   1 10 CYS H   4.200     . 5.000 4.330 4.106 4.523     .  0 0 "[    .    1]" 1 
        31 1  9 ARG HA  1  9 ARG QD  3.000     . 3.500 2.351 1.686 3.326 0.114  4 0 "[    .    1]" 1 
        32 1  9 ARG HA  1  9 ARG QG  3.000     . 3.500 2.432 2.101 2.992     .  0 0 "[    .    1]" 1 
        33 1  9 ARG HA  1 10 CYS H   2.200     . 2.700 2.235 2.213 2.265     .  0 0 "[    .    1]" 1 
        34 1  9 ARG HA  1 34 VAL HA  2.300     . 2.700 2.371 2.104 2.568     .  0 0 "[    .    1]" 1 
        35 1  9 ARG HA  1 34 VAL QG  4.600     . 7.900 3.405 3.076 3.732     .  0 0 "[    .    1]" 1 
        36 1  9 ARG HA  1 35 CYS H   3.200     . 3.500 3.371 2.809 3.595 0.095 10 0 "[    .    1]" 1 
        37 1  9 ARG QB  1 10 CYS HA  4.300     . 6.000 4.286 4.092 4.695     .  0 0 "[    .    1]" 1 
        38 1  9 ARG QB  1 34 VAL HA  4.200     . 6.000 4.354 4.205 4.596     .  0 0 "[    .    1]" 1 
        39 1  9 ARG QG  1 10 CYS HA  4.000     . 6.000 4.420 3.336 5.523     .  0 0 "[    .    1]" 1 
        40 1  9 ARG QG  1 34 VAL HA  4.600     . 6.000 4.209 3.431 5.137     .  0 0 "[    .    1]" 1 
        41 1 10 CYS CB  1 24 CYS SG  3.000 2.500 3.500 3.028 3.019 3.037     .  0 0 "[    .    1]" 1 
        42 1 10 CYS H   1 10 CYS HA  2.800     . 3.500 2.982 2.970 3.001     .  0 0 "[    .    1]" 1 
        43 1 10 CYS H   1 32 TYR QD  4.000     . 7.400 6.097 5.730 6.657     .  0 0 "[    .    1]" 1 
        44 1 10 CYS H   1 33 GLY H   3.300     . 3.500 2.919 2.624 3.254     .  0 0 "[    .    1]" 1 
        45 1 10 CYS H   1 33 GLY O   2.300     . 2.500 2.100 1.661 2.534 0.034  9 0 "[    .    1]" 1 
        46 1 10 CYS H   1 34 VAL HA  3.200     . 3.500 3.258 2.958 3.542 0.042  3 0 "[    .    1]" 1 
        47 1 10 CYS H   1 35 CYS H   3.500     . 5.000 4.251 4.047 4.529     .  0 0 "[    .    1]" 1 
        48 1 10 CYS HA  1 10 CYS HB2 2.300     . 2.700 2.537 2.326 2.671     .  0 0 "[    .    1]" 1 
        49 1 10 CYS HA  1 10 CYS HB3 2.300     . 2.700 2.413 2.308 2.642     .  0 0 "[    .    1]" 1 
        50 1 10 CYS HA  1 11 ASN H   2.600     . 2.700 2.574 2.427 2.723 0.023  3 0 "[    .    1]" 1 
        51 1 10 CYS HB2 1 11 ASN H   2.500     . 2.700 2.241 2.006 2.552     .  0 0 "[    .    1]" 1 
        52 1 10 CYS HB3 1 11 ASN H   2.700     . 3.500 3.577 3.518 3.665 0.165  3 0 "[    .    1]" 1 
        53 1 10 CYS N   1 33 GLY O   3.300 2.500 3.500 3.029 2.647 3.432     .  0 0 "[    .    1]" 1 
        54 1 10 CYS O   1 33 GLY H   2.300     . 2.500 2.272 1.759 2.534 0.034  4 0 "[    .    1]" 1 
        55 1 10 CYS O   1 33 GLY N   3.300 2.500 3.500 2.852 2.625 3.047     .  0 0 "[    .    1]" 1 
        56 1 10 CYS SG  1 24 CYS CB  3.000 2.500 3.500 3.037 3.017 3.052     .  0 0 "[    .    1]" 1 
        57 1 11 ASN H   1 11 ASN QB  2.700     . 3.500 2.767 2.198 3.099     .  0 0 "[    .    1]" 1 
        58 1 11 ASN QB  1 12 ALA H   3.300     . 4.500 2.795 2.162 3.872     .  0 0 "[    .    1]" 1 
        59 1 11 ASN QB  1 32 TYR HA  3.800     . 6.000 3.868 2.532 5.231     .  0 0 "[    .    1]" 1 
        60 1 12 ALA H   1 12 ALA HA  2.800     . 3.500 2.902 2.826 2.969     .  0 0 "[    .    1]" 1 
        61 1 12 ALA H   1 12 ALA MB  2.800     . 3.500 2.072 1.965 2.173     .  0 0 "[    .    1]" 1 
        62 1 12 ALA H   1 13 SER H   2.800     . 3.500 3.074 2.559 3.602 0.102  7 0 "[    .    1]" 1 
        63 1 12 ALA HA  1 13 SER H   2.800     . 3.500 3.159 2.625 3.578 0.078  8 0 "[    .    1]" 1 
        64 1 12 ALA MB  1 13 SER H   3.600     . 6.500 3.158 2.315 3.745     .  0 0 "[    .    1]" 1 
        65 1 12 ALA MB  1 13 SER HA  4.300     . 6.500 4.145 3.947 4.270     .  0 0 "[    .    1]" 1 
        66 1 13 SER H   1 13 SER HA  2.900     . 3.500 2.989 2.963 3.012     .  0 0 "[    .    1]" 1 
        67 1 13 SER H   1 13 SER QB  3.000     . 3.500 2.529 2.093 2.821     .  0 0 "[    .    1]" 1 
        68 1 13 SER HA  1 13 SER QB  2.400     . 2.700 2.369 2.195 2.542     .  0 0 "[    .    1]" 1 
        69 1 13 SER QB  1 14 ALA MB  4.200     . 7.500 4.498 3.898 5.044     .  0 0 "[    .    1]" 1 
        70 1 14 ALA H   1 14 ALA MB  3.400     . 3.500 2.233 1.970 2.464     .  0 0 "[    .    1]" 1 
        71 1 14 ALA MB  1 15 GLY H   3.600     . 6.500 3.060 1.867 3.744     .  0 0 "[    .    1]" 1 
        72 1 16 PRO HA  1 16 PRO QD  3.000     . 3.500 3.303 3.271 3.319     .  0 0 "[    .    1]" 1 
        73 1 16 PRO QB  1 16 PRO QD  3.300     . 3.500 2.760 2.742 2.786     .  0 0 "[    .    1]" 1 
        74 1 17 PRO HA  1 18 TYR QD  4.000     . 6.000 4.473 3.709 4.826     .  0 0 "[    .    1]" 1 
        75 1 17 PRO QB  1 18 TYR QD  4.200     . 7.000 4.930 1.994 5.646     .  0 0 "[    .    1]" 1 
        76 1 17 PRO QB  1 18 TYR QE  3.500     . 8.400 5.937 3.195 6.680     .  0 0 "[    .    1]" 1 
        77 1 17 PRO QD  1 18 TYR QD  4.000     . 7.000 4.687 3.992 5.833     .  0 0 "[    .    1]" 1 
        78 1 17 PRO QD  1 18 TYR QE  4.300     . 8.400 5.891 5.439 6.413     .  0 0 "[    .    1]" 1 
        79 1 18 TYR H   1 18 TYR HB3 2.800     . 3.500 2.825 2.549 3.347     .  0 0 "[    .    1]" 1 
        80 1 18 TYR H   1 18 TYR QD  3.300     . 3.500 2.506 2.239 2.864     .  0 0 "[    .    1]" 1 
        81 1 18 TYR H   1 19 CYS H   3.700     . 5.000 4.594 4.211 4.707     .  0 0 "[    .    1]" 1 
        82 1 18 TYR HA  1 18 TYR HB2 2.300     . 2.700 2.498 2.421 2.570     .  0 0 "[    .    1]" 1 
        83 1 18 TYR HA  1 18 TYR HB3 2.500     . 2.700 2.442 2.375 2.533     .  0 0 "[    .    1]" 1 
        84 1 18 TYR HA  1 18 TYR QD  2.700     . 3.500 3.706 3.695 3.718 0.218  2 0 "[    .    1]" 1 
        85 1 18 TYR HA  1 19 CYS H   2.700     . 3.500 2.376 2.258 2.548     .  0 0 "[    .    1]" 1 
        86 1 18 TYR QB  1 18 TYR QE  4.000     . 5.000 3.961 3.956 3.965     .  0 0 "[    .    1]" 1 
        87 1 18 TYR HB2 1 18 TYR QD  2.600     . 2.700 2.494 2.381 2.587     .  0 0 "[    .    1]" 1 
        88 1 18 TYR HB2 1 19 CYS H   2.700     . 3.500 2.781 2.378 3.259     .  0 0 "[    .    1]" 1 
        89 1 18 TYR HB3 1 18 TYR QD  2.700     . 3.500 2.349 2.298 2.443     .  0 0 "[    .    1]" 1 
        90 1 18 TYR QD  1 19 CYS H   3.600     . 7.400 3.538 3.281 3.857     .  0 0 "[    .    1]" 1 
        91 1 19 CYS CB  1 35 CYS SG  3.000 2.500 3.500 3.022 3.002 3.043     .  0 0 "[    .    1]" 1 
        92 1 19 CYS H   1 19 CYS HB2 2.500     . 2.700 2.337 2.117 2.679     .  0 0 "[    .    1]" 1 
        93 1 19 CYS H   1 19 CYS HB3 2.900     . 3.500 3.542 3.475 3.580 0.080  2 0 "[    .    1]" 1 
        94 1 19 CYS H   1 20 CYS H   3.900     . 5.000 4.611 4.553 4.689     .  0 0 "[    .    1]" 1 
        95 1 19 CYS HA  1 19 CYS HB3 2.300     . 2.700 2.516 2.370 2.657     .  0 0 "[    .    1]" 1 
        96 1 19 CYS HA  1 20 CYS H   2.200     . 2.700 2.562 2.410 2.724 0.024  5 0 "[    .    1]" 1 
        97 1 19 CYS HA  1 35 CYS HB3 3.500     . 5.000 3.118 2.189 4.028     .  0 0 "[    .    1]" 1 
        98 1 19 CYS HB2 1 20 CYS H   3.000     . 3.500 3.550 3.434 3.624 0.124  1 0 "[    .    1]" 1 
        99 1 19 CYS HB2 1 35 CYS HA  3.600     . 5.000 4.570 4.056 4.956     .  0 0 "[    .    1]" 1 
       100 1 19 CYS HB2 1 35 CYS HB3 2.900     . 3.500 3.453 3.232 3.538 0.038  8 0 "[    .    1]" 1 
       101 1 19 CYS HB3 1 20 CYS H   2.800     . 3.500 2.406 2.102 2.848     .  0 0 "[    .    1]" 1 
       102 1 19 CYS HB3 1 35 CYS HA  3.000     . 3.500 3.555 3.515 3.615 0.115  3 0 "[    .    1]" 1 
       103 1 19 CYS HB3 1 35 CYS HB2 2.700     . 3.500 3.442 3.231 3.520 0.020  2 0 "[    .    1]" 1 
       104 1 19 CYS SG  1 35 CYS CB  3.000 2.500 3.500 3.014 2.998 3.025     .  0 0 "[    .    1]" 1 
       105 1 20 CYS H   1 20 CYS HA  2.700     . 3.500 2.941 2.889 2.967     .  0 0 "[    .    1]" 1 
       106 1 20 CYS H   1 20 CYS HB2 2.300     . 2.700 2.277 2.117 2.459     .  0 0 "[    .    1]" 1 
       107 1 20 CYS H   1 20 CYS HB3 2.500     . 2.700 2.726 2.602 2.800 0.100  5 0 "[    .    1]" 1 
       108 1 20 CYS H   1 21 SER H   2.700     . 3.500 2.553 2.365 2.794     .  0 0 "[    .    1]" 1 
       109 1 20 CYS H   1 22 SER H   3.700     . 5.000 4.524 3.610 4.989     .  0 0 "[    .    1]" 1 
       110 1 20 CYS H   1 23 TYR H   4.400     . 5.000 4.883 4.700 5.067 0.067  5 0 "[    .    1]" 1 
       111 1 20 CYS HA  1 20 CYS HB2 1.900     . 2.700 2.624 2.549 2.659     .  0 0 "[    .    1]" 1 
       112 1 20 CYS HA  1 21 SER H   3.100     . 3.500 3.576 3.544 3.608 0.108  4 0 "[    .    1]" 1 
       113 1 20 CYS HB2 1 21 SER H   2.700     . 3.500 3.595 3.550 3.650 0.150  2 0 "[    .    1]" 1 
       114 1 20 CYS HB3 1 21 SER H   2.600     . 2.700 2.530 2.224 2.756 0.056  3 0 "[    .    1]" 1 
       115 1 21 SER H   1 21 SER HA  3.000     . 3.500 2.987 2.946 3.009     .  0 0 "[    .    1]" 1 
       116 1 21 SER H   1 21 SER QB  3.000     . 3.500 2.461 2.197 3.044     .  0 0 "[    .    1]" 1 
       117 1 21 SER H   1 22 SER H   2.500     . 2.700 2.703 2.517 2.786 0.086  2 0 "[    .    1]" 1 
       118 1 21 SER H   1 23 TYR H   3.300     . 3.500 3.591 3.157 3.688 0.188 10 0 "[    .    1]" 1 
       119 1 21 SER HA  1 22 SER H   3.600     . 5.000 3.451 3.013 3.573     .  0 0 "[    .    1]" 1 
       120 1 21 SER QB  1 22 SER H   3.600     . 6.000 2.548 1.933 3.721     .  0 0 "[    .    1]" 1 
       121 1 22 SER H   1 22 SER HA  2.000     . 2.700 2.724 2.347 2.893 0.193  4 0 "[    .    1]" 1 
       122 1 22 SER H   1 22 SER QB  2.800     . 3.500 2.889 2.781 3.100     .  0 0 "[    .    1]" 1 
       123 1 22 SER H   1 23 TYR H   2.500     . 2.700 2.138 1.811 2.891 0.191  1 0 "[    .    1]" 1 
       124 1 22 SER HA  1 22 SER QB  2.200     . 2.700 2.461 2.377 2.510     .  0 0 "[    .    1]" 1 
       125 1 22 SER HA  1 23 TYR H   2.700     . 3.500 3.263 3.113 3.430     .  0 0 "[    .    1]" 1 
       126 1 23 TYR H   1 23 TYR HA  2.700     . 3.500 3.002 2.988 3.011     .  0 0 "[    .    1]" 1 
       127 1 23 TYR H   1 23 TYR HB2 2.500     . 2.700 2.728 2.561 2.876 0.176  5 0 "[    .    1]" 1 
       128 1 23 TYR H   1 23 TYR HB3 2.100     . 2.700 2.711 2.611 2.807 0.107  8 0 "[    .    1]" 1 
       129 1 23 TYR H   1 23 TYR QD  3.600     . 5.000 4.292 4.244 4.360     .  0 0 "[    .    1]" 1 
       130 1 23 TYR H   1 24 CYS H   4.200     . 5.000 4.500 4.426 4.594     .  0 0 "[    .    1]" 1 
       131 1 23 TYR H   1 36 LYS H   3.300     . 3.500 3.120 2.810 3.400     .  0 0 "[    .    1]" 1 
       132 1 23 TYR H   1 36 LYS O   2.300     . 2.500 2.545 2.250 2.709 0.209  1 0 "[    .    1]" 1 
       133 1 23 TYR HA  1 23 TYR HB2 2.400     . 2.700 2.583 2.550 2.610     .  0 0 "[    .    1]" 1 
       134 1 23 TYR HA  1 23 TYR QD  2.400     . 2.700 2.753 1.801 3.015 0.315  2 0 "[    .    1]" 1 
       135 1 23 TYR HA  1 23 TYR QE  3.900     . 5.000 4.430 4.071 4.525     .  0 0 "[    .    1]" 1 
       136 1 23 TYR HA  1 24 CYS H   2.100     . 2.700 2.229 2.156 2.282     .  0 0 "[    .    1]" 1 
       137 1 23 TYR HB2 1 23 TYR QD  2.500     . 2.700 2.470 2.363 2.781 0.081  8 0 "[    .    1]" 1 
       138 1 23 TYR HB2 1 23 TYR QE  3.700     . 5.000 4.471 4.437 4.551     .  0 0 "[    .    1]" 1 
       139 1 23 TYR HB3 1 23 TYR QD  2.400     . 2.700 2.396 2.328 2.469     .  0 0 "[    .    1]" 1 
       140 1 23 TYR HB3 1 23 TYR QE  3.500     . 5.000 4.433 4.410 4.454     .  0 0 "[    .    1]" 1 
       141 1 23 TYR HB3 1 24 CYS H   3.200     . 3.500 3.720 3.612 3.804 0.304  2 0 "[    .    1]" 1 
       142 1 23 TYR QD  1 24 CYS H   2.900     . 5.900 2.946 2.660 3.166     .  0 0 "[    .    1]" 1 
       143 1 23 TYR QD  1 25 PHE HA  4.900     . 7.400 4.801 4.552 5.277     .  0 0 "[    .    1]" 1 
       144 1 23 TYR QD  1 25 PHE HB2 4.700     . 7.400 3.446 3.173 4.073     .  0 0 "[    .    1]" 1 
       145 1 23 TYR QD  1 25 PHE HB3 3.700     . 7.400 5.012 4.711 5.668     .  0 0 "[    .    1]" 1 
       146 1 23 TYR QD  1 36 LYS H   3.600     . 7.400 3.034 2.592 3.734     .  0 0 "[    .    1]" 1 
       147 1 23 TYR QD  1 36 LYS QB  3.400     . 6.900 1.879 1.576 2.184 0.224  8 0 "[    .    1]" 1 
       148 1 23 TYR QD  1 38 ARG H   3.900     . 7.400 4.332 3.486 5.830     .  0 0 "[    .    1]" 1 
       149 1 23 TYR QD  1 38 ARG HA  3.000     . 5.900 2.905 2.063 3.990     .  0 0 "[    .    1]" 1 
       150 1 23 TYR QD  1 38 ARG QB  3.900     . 8.400 4.160 1.970 5.236     .  0 0 "[    .    1]" 1 
       151 1 23 TYR QD  1 38 ARG QG  3.700     . 8.400 4.106 2.053 5.154     .  0 0 "[    .    1]" 1 
       152 1 23 TYR QE  1 25 PHE HA  3.500     . 7.400 3.656 3.291 4.466     .  0 0 "[    .    1]" 1 
       153 1 23 TYR QE  1 25 PHE HB2 3.600     . 7.400 2.322 2.019 3.467     .  0 0 "[    .    1]" 1 
       154 1 23 TYR QE  1 25 PHE HB3 3.000     . 5.900 4.001 3.727 5.002     .  0 0 "[    .    1]" 1 
       155 1 23 TYR QE  1 36 LYS QB  3.500     . 8.400 3.415 3.018 3.642     .  0 0 "[    .    1]" 1 
       156 1 23 TYR QE  1 38 ARG HA  3.300     . 5.900 4.830 4.273 5.604     .  0 0 "[    .    1]" 1 
       157 1 23 TYR QE  1 38 ARG QB  4.100     . 8.400 5.669 4.242 6.412     .  0 0 "[    .    1]" 1 
       158 1 23 TYR QE  1 38 ARG QG  4.000     . 8.400 5.666 3.423 6.401     .  0 0 "[    .    1]" 1 
       159 1 23 TYR N   1 36 LYS O   3.300 2.500 3.500 3.289 3.062 3.444     .  0 0 "[    .    1]" 1 
       160 1 23 TYR O   1 36 LYS H   2.300     . 2.500 2.087 1.914 2.359     .  0 0 "[    .    1]" 1 
       161 1 23 TYR O   1 36 LYS N   3.300 2.500 3.500 2.987 2.815 3.266     .  0 0 "[    .    1]" 1 
       162 1 24 CYS H   1 24 CYS HA  2.800     . 3.500 2.958 2.940 2.966     .  0 0 "[    .    1]" 1 
       163 1 24 CYS H   1 24 CYS HB3 2.200     . 2.700 2.813 2.716 3.197 0.497  3 0 "[    .    1]" 1 
       164 1 24 CYS H   1 25 PHE H   4.300     . 5.000 3.947 3.850 4.077     .  0 0 "[    .    1]" 1 
       165 1 24 CYS HA  1 24 CYS HB3 2.200     . 2.700 3.033 2.992 3.047 0.347  5 0 "[    .    1]" 1 
       166 1 24 CYS HA  1 25 PHE H   2.300     . 2.700 2.240 2.203 2.273     .  0 0 "[    .    1]" 1 
       167 1 24 CYS HA  1 35 CYS HA  2.300     . 2.700 1.918 1.828 2.122     .  0 0 "[    .    1]" 1 
       168 1 24 CYS HA  1 36 LYS H   3.200     . 3.500 3.587 3.506 3.645 0.145  5 0 "[    .    1]" 1 
       169 1 25 PHE H   1 25 PHE HA  2.800     . 3.500 2.984 2.966 3.010     .  0 0 "[    .    1]" 1 
       170 1 25 PHE H   1 25 PHE HB2 2.100     . 2.700 2.308 2.227 2.401     .  0 0 "[    .    1]" 1 
       171 1 25 PHE H   1 25 PHE HB3 2.300     . 2.700 2.762 2.746 2.771 0.071  2 0 "[    .    1]" 1 
       172 1 25 PHE H   1 26 GLN H   4.200     . 5.000 4.111 3.891 4.340     .  0 0 "[    .    1]" 1 
       173 1 25 PHE H   1 34 VAL H   3.300     . 3.500 2.576 2.365 2.705     .  0 0 "[    .    1]" 1 
       174 1 25 PHE H   1 34 VAL O   2.300     . 2.500 1.497 1.473 1.520 0.027  1 0 "[    .    1]" 1 
       175 1 25 PHE H   1 35 CYS HA  3.200     . 3.500 3.276 3.085 3.444     .  0 0 "[    .    1]" 1 
       176 1 25 PHE HA  1 25 PHE QB  2.200     . 2.700 2.496 2.492 2.502     .  0 0 "[    .    1]" 1 
       177 1 25 PHE HA  1 25 PHE QD  2.600     . 2.700 2.769 2.436 2.982 0.282  3 0 "[    .    1]" 1 
       178 1 25 PHE HA  1 25 PHE QE  4.100     . 5.000 4.367 4.254 4.442     .  0 0 "[    .    1]" 1 
       179 1 25 PHE HA  1 26 GLN H   2.200     . 2.700 2.335 2.260 2.389     .  0 0 "[    .    1]" 1 
       180 1 25 PHE HB2 1 34 VAL H   3.200     . 3.500 3.688 3.639 3.756 0.256  5 0 "[    .    1]" 1 
       181 1 25 PHE HB2 1 34 VAL QG  3.400     . 6.400 2.361 2.220 2.523     .  0 0 "[    .    1]" 1 
       182 1 25 PHE HB3 1 34 VAL H   3.600     . 5.000 2.642 2.483 2.800     .  0 0 "[    .    1]" 1 
       183 1 25 PHE HB3 1 34 VAL QG  4.200     . 7.900 1.707 1.614 1.776 0.186  3 0 "[    .    1]" 1 
       184 1 25 PHE QD  1 26 GLN H   3.200     . 5.900 4.320 4.078 4.475     .  0 0 "[    .    1]" 1 
       185 1 25 PHE QD  1 27 ILE MD  4.500     . 8.900 3.950 2.693 4.956     .  0 0 "[    .    1]" 1 
       186 1 25 PHE QD  1 27 ILE MG  4.500     . 8.900 4.344 3.979 4.608     .  0 0 "[    .    1]" 1 
       187 1 25 PHE QD  1 34 VAL H   3.600     . 7.400 4.248 4.032 4.485     .  0 0 "[    .    1]" 1 
       188 1 25 PHE QE  1 27 ILE HA  4.400     . 7.400 6.228 5.606 6.485     .  0 0 "[    .    1]" 1 
       189 1 25 PHE QE  1 27 ILE MD  3.900     . 8.900 4.026 3.099 4.877     .  0 0 "[    .    1]" 1 
       190 1 25 PHE QE  1 27 ILE MG  3.900     . 8.900 3.872 3.584 4.228     .  0 0 "[    .    1]" 1 
       191 1 25 PHE N   1 34 VAL O   3.300 2.500 3.500 2.466 2.448 2.483 0.052  1 0 "[    .    1]" 1 
       192 1 25 PHE O   1 34 VAL H   2.300     . 2.500 1.821 1.591 2.061     .  0 0 "[    .    1]" 1 
       193 1 25 PHE O   1 34 VAL N   3.300 2.500 3.500 2.698 2.502 2.941     .  0 0 "[    .    1]" 1 
       194 1 26 GLN H   1 26 GLN HA  2.700     . 3.500 3.003 2.994 3.008     .  0 0 "[    .    1]" 1 
       195 1 26 GLN H   1 26 GLN HB3 2.500     . 2.700 2.387 2.211 2.498     .  0 0 "[    .    1]" 1 
       196 1 26 GLN H   1 27 ILE H   4.200     . 5.000 4.535 4.498 4.575     .  0 0 "[    .    1]" 1 
       197 1 26 GLN HA  1 26 GLN QB  2.400     . 2.700 2.314 2.261 2.368     .  0 0 "[    .    1]" 1 
       198 1 26 GLN HA  1 26 GLN QG  2.300     . 2.700 2.472 2.345 2.644     .  0 0 "[    .    1]" 1 
       199 1 26 GLN HA  1 27 ILE H   2.200     . 2.700 2.297 2.258 2.341     .  0 0 "[    .    1]" 1 
       200 1 26 GLN HA  1 33 GLY QA  2.400     . 3.700 1.698 1.642 1.800 0.158  3 0 "[    .    1]" 1 
       201 1 26 GLN HA  1 34 VAL H   3.500     . 3.500 3.496 3.443 3.576 0.076  2 0 "[    .    1]" 1 
       202 1 26 GLN HB2 1 33 GLY QA  3.000     . 4.500 1.795 1.644 2.129 0.156  6 0 "[    .    1]" 1 
       203 1 26 GLN HB3 1 33 GLY QA  2.700     . 4.500 3.246 3.073 3.509     .  0 0 "[    .    1]" 1 
       204 1 26 GLN HB3 1 34 VAL H   3.600     . 5.000 5.168 5.124 5.224 0.224  6 0 "[    .    1]" 1 
       205 1 26 GLN QG  1 33 GLY QA  3.300     . 5.500 2.869 2.518 3.103     .  0 0 "[    .    1]" 1 
       206 1 27 ILE H   1 27 ILE HA  2.700     . 3.500 3.003 2.995 3.006     .  0 0 "[    .    1]" 1 
       207 1 27 ILE H   1 32 TYR H   3.300     . 3.500 3.410 3.098 3.525 0.025  3 0 "[    .    1]" 1 
       208 1 27 ILE H   1 32 TYR O   2.300     . 2.500 2.262 2.048 2.559 0.059  1 0 "[    .    1]" 1 
       209 1 27 ILE H   1 33 GLY QA  3.200     . 4.500 3.408 3.254 3.694     .  0 0 "[    .    1]" 1 
       210 1 27 ILE HA  1 27 ILE HB  2.400     . 2.700 2.802 2.752 2.844 0.144  5 0 "[    .    1]" 1 
       211 1 27 ILE HA  1 28 ALA H   1.900     . 2.700 2.438 2.389 2.485     .  0 0 "[    .    1]" 1 
       212 1 27 ILE HB  1 28 ALA H   2.500     . 2.700 2.717 2.608 2.768 0.068 10 0 "[    .    1]" 1 
       213 1 27 ILE HB  1 32 TYR QD  3.100     . 5.900 5.187 4.616 5.470     .  0 0 "[    .    1]" 1 
       214 1 27 ILE HB  1 32 TYR QE  3.600     . 7.400 3.882 2.762 4.241     .  0 0 "[    .    1]" 1 
       215 1 27 ILE MD  1 32 TYR QE  4.600     . 8.900 2.813 2.162 3.602     .  0 0 "[    .    1]" 1 
       216 1 27 ILE QG  1 32 TYR QE  3.800     . 8.900 2.918 1.919 3.233     .  0 0 "[    .    1]" 1 
       217 1 27 ILE MG  1 32 TYR QE  4.600     . 8.900 4.751 4.016 4.976     .  0 0 "[    .    1]" 1 
       218 1 27 ILE N   1 32 TYR O   3.300 2.500 3.500 3.165 2.980 3.414     .  0 0 "[    .    1]" 1 
       219 1 28 ALA H   1 28 ALA MB  2.500     . 2.700 2.137 2.000 2.206     .  0 0 "[    .    1]" 1 
       220 1 28 ALA HA  1 28 ALA MB  2.400     . 2.700 2.144 2.119 2.154     .  0 0 "[    .    1]" 1 
       221 1 28 ALA MB  1 29 GLY H   2.900     . 5.000 3.064 2.534 3.644     .  0 0 "[    .    1]" 1 
       222 1 29 GLY H   1 29 GLY QA  2.300     . 2.700 2.422 2.254 2.527     .  0 0 "[    .    1]" 1 
       223 1 29 GLY H   1 30 GLN H   2.400     . 2.700 2.751 2.601 2.861 0.161  3 0 "[    .    1]" 1 
       224 1 30 GLN H   1 30 GLN HA  2.800     . 3.500 2.997 2.957 3.007     .  0 0 "[    .    1]" 1 
       225 1 30 GLN H   1 30 GLN QB  2.400     . 2.700 2.422 2.171 2.620     .  0 0 "[    .    1]" 1 
       226 1 30 GLN H   1 31 SER H   3.400     . 3.500 2.132 1.885 2.840     .  0 0 "[    .    1]" 1 
       227 1 30 GLN HA  1 30 GLN QB  2.300     . 2.700 2.487 2.368 2.543     .  0 0 "[    .    1]" 1 
       228 1 30 GLN HA  1 30 GLN QG  2.600     . 2.700 2.093 1.904 2.381     .  0 0 "[    .    1]" 1 
       229 1 30 GLN QB  1 30 GLN QG  2.200     . 2.700 2.068 2.057 2.091     .  0 0 "[    .    1]" 1 
       230 1 30 GLN QB  1 31 SER H   2.600     . 3.700 3.224 1.839 3.465     .  0 0 "[    .    1]" 1 
       231 1 30 GLN QB  1 32 TYR QD  4.000     . 8.400 1.884 1.727 2.156 0.073  9 0 "[    .    1]" 1 
       232 1 30 GLN QB  1 32 TYR QE  3.800     . 8.400 2.549 1.992 3.224     .  0 0 "[    .    1]" 1 
       233 1 30 GLN QG  1 32 TYR QE  3.900     . 8.400 4.604 4.200 5.122     .  0 0 "[    .    1]" 1 
       234 1 31 SER H   1 31 SER HA  2.400     . 2.700 2.402 2.350 2.815 0.115  3 0 "[    .    1]" 1 
       235 1 31 SER H   1 31 SER QB  2.700     . 3.500 2.952 2.920 2.994     .  0 0 "[    .    1]" 1 
       236 1 31 SER H   1 32 TYR H   2.400     . 2.700 2.782 2.752 2.821 0.121  2 0 "[    .    1]" 1 
       237 1 31 SER H   1 32 TYR QD  4.000     . 7.400 2.988 2.133 3.325     .  0 0 "[    .    1]" 1 
       238 1 31 SER HA  1 31 SER QB  2.300     . 2.700 2.460 2.290 2.527     .  0 0 "[    .    1]" 1 
       239 1 31 SER HA  1 32 TYR H   2.200     . 2.700 2.673 2.519 2.746 0.046  4 0 "[    .    1]" 1 
       240 1 32 TYR H   1 33 GLY H   4.200     . 5.000 4.393 4.291 4.431     .  0 0 "[    .    1]" 1 
       241 1 32 TYR HA  1 32 TYR QB  2.500     . 2.700 2.193 2.188 2.197     .  0 0 "[    .    1]" 1 
       242 1 32 TYR HA  1 32 TYR QD  3.100     . 3.500 3.708 3.698 3.720 0.220  1 0 "[    .    1]" 1 
       243 1 32 TYR HA  1 33 GLY H   2.200     . 2.700 2.245 2.197 2.301     .  0 0 "[    .    1]" 1 
       244 1 32 TYR QB  1 32 TYR QD  2.400     . 2.700 2.147 2.142 2.150     .  0 0 "[    .    1]" 1 
       245 1 32 TYR QB  1 32 TYR QE  3.900     . 5.000 3.959 3.954 3.962     .  0 0 "[    .    1]" 1 
       246 1 32 TYR HB2 1 33 GLY H   2.700     . 3.500 3.267 3.070 3.480     .  0 0 "[    .    1]" 1 
       247 1 32 TYR QD  1 33 GLY H   3.700     . 7.400 3.921 3.436 4.433     .  0 0 "[    .    1]" 1 
       248 1 32 TYR QD  1 33 GLY QA  4.400     . 8.400 3.691 3.517 3.961     .  0 0 "[    .    1]" 1 
       249 1 33 GLY H   1 34 VAL H   4.300     . 5.000 4.438 4.321 4.528     .  0 0 "[    .    1]" 1 
       250 1 33 GLY QA  1 34 VAL H   2.300     . 3.700 2.278 2.238 2.334     .  0 0 "[    .    1]" 1 
       251 1 34 VAL H   1 34 VAL HA  3.000     . 3.500 3.010 2.999 3.021     .  0 0 "[    .    1]" 1 
       252 1 34 VAL H   1 34 VAL QG  3.600     . 5.000 1.997 1.820 2.125     .  0 0 "[    .    1]" 1 
       253 1 34 VAL H   1 35 CYS H   4.300     . 5.000 4.465 4.388 4.512     .  0 0 "[    .    1]" 1 
       254 1 34 VAL HA  1 34 VAL HB  2.200     . 2.700 2.482 2.441 2.533     .  0 0 "[    .    1]" 1 
       255 1 34 VAL HA  1 34 VAL QG  3.000     . 3.500 2.250 2.158 2.362     .  0 0 "[    .    1]" 1 
       256 1 34 VAL HA  1 35 CYS H   2.200     . 2.700 2.256 2.218 2.313     .  0 0 "[    .    1]" 1 
       257 1 34 VAL HB  1 35 CYS H   3.300     . 3.500 3.199 2.981 3.318     .  0 0 "[    .    1]" 1 
       258 1 34 VAL QG  1 35 CYS H   4.000     . 7.900 3.519 3.440 3.567     .  0 0 "[    .    1]" 1 
       259 1 35 CYS H   1 35 CYS HA  2.800     . 3.500 2.949 2.941 2.957     .  0 0 "[    .    1]" 1 
       260 1 35 CYS H   1 35 CYS HB2 2.800     . 3.500 2.408 2.358 2.524     .  0 0 "[    .    1]" 1 
       261 1 35 CYS H   1 35 CYS HB3 3.100     . 3.500 3.586 3.575 3.597 0.097  1 0 "[    .    1]" 1 
       262 1 35 CYS H   1 36 LYS H   4.200     . 5.000 4.585 4.566 4.601     .  0 0 "[    .    1]" 1 
       263 1 35 CYS HA  1 35 CYS HB3 2.200     . 2.700 2.457 2.396 2.491     .  0 0 "[    .    1]" 1 
       264 1 35 CYS HA  1 36 LYS H   2.100     . 2.700 2.267 2.230 2.296     .  0 0 "[    .    1]" 1 
       265 1 35 CYS HA  1 36 LYS HA  3.600     . 5.000 4.545 4.515 4.564     .  0 0 "[    .    1]" 1 
       266 1 35 CYS HB2 1 36 LYS H   2.900     . 3.500 3.732 3.700 3.756 0.256  7 0 "[    .    1]" 1 
       267 1 35 CYS HB3 1 36 LYS H   2.200     . 2.700 2.657 2.593 2.754 0.054  1 0 "[    .    1]" 1 
       268 1 36 LYS H   1 36 LYS HA  2.800     . 3.500 2.969 2.956 2.978     .  0 0 "[    .    1]" 1 
       269 1 36 LYS H   1 36 LYS HB2 2.800     . 3.500 2.686 2.578 2.915     .  0 0 "[    .    1]" 1 
       270 1 36 LYS H   1 36 LYS HB3 3.000     . 3.500 3.446 3.196 3.561 0.061  7 0 "[    .    1]" 1 
       271 1 36 LYS HA  1 36 LYS HB2 2.400     . 2.700 2.845 2.714 2.905 0.205  5 0 "[    .    1]" 1 
       272 1 36 LYS HA  1 36 LYS QD  3.000     . 3.500 2.758 1.879 3.174     .  0 0 "[    .    1]" 1 
       273 1 36 LYS HA  1 36 LYS QE  3.000     . 3.500 2.753 1.960 3.308     .  0 0 "[    .    1]" 1 
       274 1 36 LYS HA  1 36 LYS QG  3.000     . 3.500 2.142 1.956 2.423     .  0 0 "[    .    1]" 1 
       275 1 36 LYS HA  1 37 ASN H   2.500     . 2.700 2.649 2.439 2.783 0.083  4 0 "[    .    1]" 1 
       276 1 36 LYS HB3 1 37 ASN H   2.500     . 2.700 2.399 2.029 2.799 0.099  2 0 "[    .    1]" 1 
       277 1 36 LYS QZ  1 37 ASN H   3.100     . 4.500 3.135 2.471 3.816     .  0 0 "[    .    1]" 1 
       278 1 37 ASN H   1 37 ASN HB2 2.100     . 2.700 2.265 2.084 2.495     .  0 0 "[    .    1]" 1 
       279 1 37 ASN H   1 37 ASN QD  3.700     . 5.000 3.940 2.914 4.205     .  0 0 "[    .    1]" 1 
       280 1 37 ASN HA  1 37 ASN HB3 2.300     . 2.700 2.577 2.436 2.693     .  0 0 "[    .    1]" 1 
       281 1 37 ASN HB2 1 38 ARG H   2.900     . 3.500 2.236 1.894 2.971     .  0 0 "[    .    1]" 1 
       282 1 37 ASN HB3 1 38 ARG H   2.500     . 2.700 2.647 2.135 2.750 0.050 10 0 "[    .    1]" 1 
       283 1 38 ARG H   1 38 ARG HA  2.500     . 2.700 2.847 2.368 2.950 0.250  8 0 "[    .    1]" 1 
       284 1 38 ARG HA  1 38 ARG QB  2.500     . 2.700 2.459 2.196 2.548     .  0 0 "[    .    1]" 1 
       285 1 38 ARG HA  1 38 ARG QG  2.900     . 3.500 2.386 1.977 3.290     .  0 0 "[    .    1]" 1 
    stop_

save_



Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Friday, May 10, 2024 12:52:43 PM GMT (wattos1)