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
411315 2ap7 6774 cing 4-filtered-FRED Wattos check violation distance


data_2ap7


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              160
    _Distance_constraint_stats_list.Viol_count                    768
    _Distance_constraint_stats_list.Viol_total                    1254.446
    _Distance_constraint_stats_list.Viol_max                      0.318
    _Distance_constraint_stats_list.Viol_rms                      0.0458
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0196
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0817
    _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 ILE  0.048 0.044 11 0 "[    .    1    .    2]" 
       1  2 ILE  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  3 GLY  0.119 0.044 11 0 "[    .    1    .    2]" 
       1  4 PRO  2.524 0.172 16 0 "[    .    1    .    2]" 
       1  5 VAL  3.729 0.172 16 0 "[    .    1    .    2]" 
       1  6 LEU  1.545 0.091  5 0 "[    .    1    .    2]" 
       1  7 GLY  4.360 0.205 19 0 "[    .    1    .    2]" 
       1  8 LEU  7.616 0.247 13 0 "[    .    1    .    2]" 
       1  9 VAL  1.920 0.093 18 0 "[    .    1    .    2]" 
       1 10 GLY  1.731 0.089  7 0 "[    .    1    .    2]" 
       1 11 SER  5.038 0.135 13 0 "[    .    1    .    2]" 
       1 12 ALA  6.062 0.202 18 0 "[    .    1    .    2]" 
       1 13 LEU 11.007 0.207  2 0 "[    .    1    .    2]" 
       1 14 GLY  3.936 0.192 18 0 "[    .    1    .    2]" 
       1 15 GLY  3.180 0.192 18 0 "[    .    1    .    2]" 
       1 16 LEU  5.302 0.237 17 0 "[    .    1    .    2]" 
       1 17 LEU 15.639 0.274  2 0 "[    .    1    .    2]" 
       1 18 LYS 13.235 0.215  5 0 "[    .    1    .    2]" 
       1 19 LYS 13.914 0.318  2 0 "[    .    1    .    2]" 
       1 20 ILE  5.790 0.167  2 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 ILE HB 1  3 GLY H  4.647 . 4.647 3.939 2.897 4.691 0.044 11 0 "[    .    1    .    2]" 1 
         2 1  1 ILE QG 1  3 GLY H  5.264 . 5.264 3.321 1.829 4.630     .  0 0 "[    .    1    .    2]" 1 
         3 1  2 ILE H  1  2 ILE MD 4.326 . 4.326 3.439 2.051 4.235     .  0 0 "[    .    1    .    2]" 1 
         4 1  2 ILE H  1  2 ILE QG 3.290 . 3.290 2.287 1.889 3.219     .  0 0 "[    .    1    .    2]" 1 
         5 1  2 ILE H  1  3 GLY H  4.329 . 4.329 3.027 1.950 4.134     .  0 0 "[    .    1    .    2]" 1 
         6 1  3 GLY H  1  3 GLY QA 2.601 . 2.601 2.376 2.196 2.501     .  0 0 "[    .    1    .    2]" 1 
         7 1  3 GLY H  1  4 PRO HA 5.626 . 5.626 4.768 4.173 5.519     .  0 0 "[    .    1    .    2]" 1 
         8 1  3 GLY H  1  4 PRO QD     . . 3.592 2.769 1.906 3.628 0.036 19 0 "[    .    1    .    2]" 1 
         9 1  3 GLY H  1  5 VAL H  5.387 . 5.387 4.518 2.602 5.349     .  0 0 "[    .    1    .    2]" 1 
        10 1  3 GLY QA 1  4 PRO QD     . . 2.976 2.108 1.830 2.554     .  0 0 "[    .    1    .    2]" 1 
        11 1  3 GLY QA 1  5 VAL HB 4.791 . 4.791 4.258 3.974 4.809 0.018 15 0 "[    .    1    .    2]" 1 
        12 1  3 GLY QA 1  6 LEU H  5.101 . 5.101 4.007 3.438 4.772     .  0 0 "[    .    1    .    2]" 1 
        13 1  4 PRO HA 1  4 PRO QD     . . 3.484 3.415 3.277 3.458     .  0 0 "[    .    1    .    2]" 1 
        14 1  4 PRO HA 1  4 PRO QG 2.964 . 2.964 2.964 2.823 3.018 0.054  4 0 "[    .    1    .    2]" 1 
        15 1  4 PRO HA 1  5 VAL H  3.297 . 3.297 3.403 3.269 3.469 0.172 16 0 "[    .    1    .    2]" 1 
        16 1  4 PRO HA 1  6 LEU H  4.699 . 4.699 4.494 4.240 4.719 0.020 11 0 "[    .    1    .    2]" 1 
        17 1  4 PRO HA 1  7 GLY H  3.966 . 3.966 3.332 3.093 3.536     .  0 0 "[    .    1    .    2]" 1 
        18 1  4 PRO HA 1  7 GLY QA 4.017 . 4.017 3.658 3.256 4.020 0.003  7 0 "[    .    1    .    2]" 1 
        19 1  4 PRO HA 1  8 LEU H  5.381 . 5.381 4.488 3.917 4.993     .  0 0 "[    .    1    .    2]" 1 
        20 1  4 PRO QB 1  4 PRO QD     . . 2.852 2.747 2.725 2.789     .  0 0 "[    .    1    .    2]" 1 
        21 1  4 PRO QB 1  5 VAL H  4.161 . 4.161 3.170 2.801 3.588     .  0 0 "[    .    1    .    2]" 1 
        22 1  4 PRO QB 1  7 GLY H  5.553 . 5.553 4.488 4.132 4.767     .  0 0 "[    .    1    .    2]" 1 
        23 1  4 PRO QD 1  5 VAL H  4.016 . 4.016 2.783 2.659 3.031     .  0 0 "[    .    1    .    2]" 1 
        24 1  5 VAL H  1  5 VAL HB 2.752 . 2.752 2.701 2.620 2.760 0.008  3 0 "[    .    1    .    2]" 1 
        25 1  5 VAL H  1  5 VAL QG 2.941 . 2.941 1.995 1.900 2.071     .  0 0 "[    .    1    .    2]" 1 
        26 1  5 VAL H  1  6 LEU H  3.063 . 3.063 2.885 2.749 2.950     .  0 0 "[    .    1    .    2]" 1 
        27 1  5 VAL HA 1  5 VAL QG     . . 3.064 2.093 2.044 2.182     .  0 0 "[    .    1    .    2]" 1 
        28 1  5 VAL HA 1  6 LEU H  3.849 . 3.849 3.566 3.560 3.573     .  0 0 "[    .    1    .    2]" 1 
        29 1  5 VAL HA 1  8 LEU H  3.330 . 3.330 3.281 3.118 3.361 0.031  5 0 "[    .    1    .    2]" 1 
        30 1  5 VAL HA 1  8 LEU QB 3.723 . 3.723 3.309 2.717 3.874 0.151 20 0 "[    .    1    .    2]" 1 
        31 1  5 VAL HA 1  8 LEU HG 3.809 . 3.809 2.519 1.899 3.815 0.006  8 0 "[    .    1    .    2]" 1 
        32 1  5 VAL HA 1  9 VAL H  6.000 . 6.000 3.994 3.376 4.453     .  0 0 "[    .    1    .    2]" 1 
        33 1  5 VAL HB 1  6 LEU H  3.266 . 3.266 2.230 2.207 2.285     .  0 0 "[    .    1    .    2]" 1 
        34 1  5 VAL HB 1  7 GLY H  4.516 . 4.516 4.557 4.540 4.585 0.069  7 0 "[    .    1    .    2]" 1 
        35 1  6 LEU H  1  6 LEU HA 2.716 . 2.716 2.769 2.733 2.807 0.091  5 0 "[    .    1    .    2]" 1 
        36 1  6 LEU H  1  6 LEU QB 2.635 . 2.635 2.348 2.092 2.586     .  0 0 "[    .    1    .    2]" 1 
        37 1  6 LEU H  1  6 LEU QD     . . 3.952 2.955 2.129 3.410     .  0 0 "[    .    1    .    2]" 1 
        38 1  6 LEU H  1  6 LEU HG 3.182 . 3.182 2.585 1.964 3.175     .  0 0 "[    .    1    .    2]" 1 
        39 1  6 LEU H  1  7 GLY H  3.320 . 3.320 2.706 2.567 2.823     .  0 0 "[    .    1    .    2]" 1 
        40 1  6 LEU H  1  8 LEU H  5.502 . 5.502 4.177 4.007 4.270     .  0 0 "[    .    1    .    2]" 1 
        41 1  6 LEU HA 1  8 LEU H  4.672 . 4.672 4.239 3.991 4.572     .  0 0 "[    .    1    .    2]" 1 
        42 1  6 LEU HA 1  9 VAL HB 3.255 . 3.255 3.062 2.782 3.221     .  0 0 "[    .    1    .    2]" 1 
        43 1  6 LEU HA 1 10 GLY H  3.944 . 3.944 3.940 3.720 3.993 0.049  8 0 "[    .    1    .    2]" 1 
        44 1  6 LEU QB 1  7 GLY H      . . 3.800 3.095 2.835 3.603     .  0 0 "[    .    1    .    2]" 1 
        45 1  7 GLY H  1  7 GLY QA     . . 2.747 2.221 2.212 2.228     .  0 0 "[    .    1    .    2]" 1 
        46 1  7 GLY H  1  8 LEU H  3.198 . 3.198 2.408 2.369 2.450     .  0 0 "[    .    1    .    2]" 1 
        47 1  7 GLY H  1  8 LEU HA 4.867 . 4.867 5.032 4.991 5.072 0.205 19 0 "[    .    1    .    2]" 1 
        48 1  7 GLY H  1  9 VAL H  4.178 . 4.178 4.113 3.963 4.227 0.049 14 0 "[    .    1    .    2]" 1 
        49 1  7 GLY H  1 10 GLY H  5.376 . 5.376 4.611 4.422 4.738     .  0 0 "[    .    1    .    2]" 1 
        50 1  7 GLY QA 1  8 LEU H  3.405 . 3.405 2.782 2.712 2.829     .  0 0 "[    .    1    .    2]" 1 
        51 1  7 GLY QA 1 10 GLY H  4.875 . 4.875 3.531 3.354 3.707     .  0 0 "[    .    1    .    2]" 1 
        52 1  7 GLY QA 1 11 SER H  4.742 . 4.742 4.368 3.998 4.754 0.012  7 0 "[    .    1    .    2]" 1 
        53 1  8 LEU H  1  8 LEU QB 2.937 . 2.937 2.556 2.128 2.784     .  0 0 "[    .    1    .    2]" 1 
        54 1  8 LEU H  1  8 LEU HG 3.391 . 3.391 2.245 1.789 3.413 0.022  8 0 "[    .    1    .    2]" 1 
        55 1  8 LEU H  1  9 VAL H  3.230 . 3.230 2.525 2.483 2.584     .  0 0 "[    .    1    .    2]" 1 
        56 1  8 LEU H  1  9 VAL HA 6.000 . 6.000 5.154 5.121 5.196     .  0 0 "[    .    1    .    2]" 1 
        57 1  8 LEU H  1  9 VAL HB 4.778 . 4.778 4.787 4.750 4.805 0.027  1 0 "[    .    1    .    2]" 1 
        58 1  8 LEU H  1  9 VAL QG 6.000 . 6.000 3.890 3.725 4.019     .  0 0 "[    .    1    .    2]" 1 
        59 1  8 LEU H  1 10 GLY H  5.117 . 5.117 3.805 3.625 4.031     .  0 0 "[    .    1    .    2]" 1 
        60 1  8 LEU HA 1  8 LEU HG 3.364 . 3.364 3.419 3.180 3.611 0.247 13 0 "[    .    1    .    2]" 1 
        61 1  8 LEU HA 1 10 GLY H  5.399 . 5.399 4.244 4.048 4.433     .  0 0 "[    .    1    .    2]" 1 
        62 1  8 LEU HA 1 11 SER H  3.319 . 3.319 3.385 3.346 3.438 0.119 18 0 "[    .    1    .    2]" 1 
        63 1  8 LEU QB 1  9 VAL H  3.705 . 3.705 2.805 2.376 3.445     .  0 0 "[    .    1    .    2]" 1 
        64 1  8 LEU HG 1  9 VAL H  3.865 . 3.865 3.097 1.892 3.894 0.029  2 0 "[    .    1    .    2]" 1 
        65 1  9 VAL H  1  9 VAL HA 3.079 . 3.079 2.817 2.778 2.854     .  0 0 "[    .    1    .    2]" 1 
        66 1  9 VAL H  1  9 VAL HB 2.831 . 2.831 2.619 2.549 2.697     .  0 0 "[    .    1    .    2]" 1 
        67 1  9 VAL H  1  9 VAL QG 3.122 . 3.122 2.106 1.942 2.246     .  0 0 "[    .    1    .    2]" 1 
        68 1  9 VAL H  1 10 GLY H  3.213 . 3.213 2.609 2.449 2.754     .  0 0 "[    .    1    .    2]" 1 
        69 1  9 VAL HA 1  9 VAL QG     . . 3.054 2.074 2.042 2.102     .  0 0 "[    .    1    .    2]" 1 
        70 1  9 VAL HA 1 12 ALA H  3.999 . 3.999 3.244 3.166 3.344     .  0 0 "[    .    1    .    2]" 1 
        71 1  9 VAL HA 1 12 ALA MB 3.594 . 3.594 2.773 2.483 3.183     .  0 0 "[    .    1    .    2]" 1 
        72 1  9 VAL HA 1 13 LEU H  4.431 . 4.431 4.133 3.914 4.368     .  0 0 "[    .    1    .    2]" 1 
        73 1  9 VAL HB 1 10 GLY H  3.285 . 3.285 2.707 2.583 2.849     .  0 0 "[    .    1    .    2]" 1 
        74 1  9 VAL QG 1 10 GLY H  5.680 . 5.680 3.318 3.253 3.370     .  0 0 "[    .    1    .    2]" 1 
        75 1  9 VAL QG 1 12 ALA HA 5.447 . 5.447 5.514 5.467 5.540 0.093 18 0 "[    .    1    .    2]" 1 
        76 1  9 VAL QG 1 13 LEU H  5.913 . 5.913 3.883 3.466 4.111     .  0 0 "[    .    1    .    2]" 1 
        77 1 10 GLY H  1 11 SER H  3.126 . 3.126 2.590 2.555 2.632     .  0 0 "[    .    1    .    2]" 1 
        78 1 10 GLY H  1 11 SER HA 5.141 . 5.141 5.204 5.179 5.230 0.089  7 0 "[    .    1    .    2]" 1 
        79 1 10 GLY H  1 13 LEU H  4.744 . 4.744 4.604 4.508 4.700     .  0 0 "[    .    1    .    2]" 1 
        80 1 10 GLY QA 1 13 LEU H  4.147 . 4.147 3.330 3.239 3.470     .  0 0 "[    .    1    .    2]" 1 
        81 1 10 GLY QA 1 13 LEU QB 3.597 . 3.597 2.005 1.816 2.215     .  0 0 "[    .    1    .    2]" 1 
        82 1 11 SER H  1 11 SER HA 2.891 . 2.891 2.864 2.828 2.885     .  0 0 "[    .    1    .    2]" 1 
        83 1 11 SER H  1 11 SER QB 2.462 . 2.462 2.231 2.087 2.429     .  0 0 "[    .    1    .    2]" 1 
        84 1 11 SER H  1 13 LEU QB 3.951 . 3.951 4.045 4.013 4.086 0.135 13 0 "[    .    1    .    2]" 1 
        85 1 11 SER HA 1 14 GLY H  3.611 . 3.611 3.619 3.425 3.686 0.075  3 0 "[    .    1    .    2]" 1 
        86 1 12 ALA H  1 12 ALA HA 2.807 . 2.807 2.845 2.836 2.853 0.046  3 0 "[    .    1    .    2]" 1 
        87 1 12 ALA H  1 12 ALA MB 2.916 . 2.916 2.146 2.054 2.257     .  0 0 "[    .    1    .    2]" 1 
        88 1 12 ALA H  1 13 LEU H  2.912 . 2.912 2.419 2.350 2.479     .  0 0 "[    .    1    .    2]" 1 
        89 1 12 ALA H  1 13 LEU QB 4.021 . 4.021 4.064 4.018 4.090 0.069 19 0 "[    .    1    .    2]" 1 
        90 1 12 ALA HA 1 13 LEU H  3.181 . 3.181 3.336 3.301 3.383 0.202 18 0 "[    .    1    .    2]" 1 
        91 1 12 ALA HA 1 16 LEU H  5.591 . 5.591 4.023 3.421 4.595     .  0 0 "[    .    1    .    2]" 1 
        92 1 13 LEU H  1 13 LEU HA 2.928 . 2.928 2.841 2.820 2.851     .  0 0 "[    .    1    .    2]" 1 
        93 1 13 LEU H  1 13 LEU QB     . . 2.479 2.071 2.041 2.099     .  0 0 "[    .    1    .    2]" 1 
        94 1 13 LEU H  1 13 LEU HG 3.092 . 3.092 3.127 3.083 3.171 0.079  9 0 "[    .    1    .    2]" 1 
        95 1 13 LEU HA 1 13 LEU QB     . . 2.292 2.404 2.149 2.499 0.207  2 0 "[    .    1    .    2]" 1 
        96 1 13 LEU HA 1 16 LEU H  3.621 . 3.621 3.673 3.564 3.731 0.110 13 0 "[    .    1    .    2]" 1 
        97 1 13 LEU HA 1 17 LEU H  4.435 . 4.435 4.426 4.257 4.501 0.066  3 0 "[    .    1    .    2]" 1 
        98 1 13 LEU QB 1 16 LEU H  6.000 . 6.000 5.118 4.977 5.264     .  0 0 "[    .    1    .    2]" 1 
        99 1 14 GLY H  1 14 GLY QA     . . 2.516 2.249 2.235 2.256     .  0 0 "[    .    1    .    2]" 1 
       100 1 14 GLY H  1 15 GLY H  3.489 . 3.489 2.221 2.186 2.292     .  0 0 "[    .    1    .    2]" 1 
       101 1 14 GLY H  1 15 GLY QA 3.995 . 3.995 4.150 4.124 4.187 0.192 18 0 "[    .    1    .    2]" 1 
       102 1 14 GLY H  1 16 LEU H  4.852 . 4.852 3.973 3.767 4.339     .  0 0 "[    .    1    .    2]" 1 
       103 1 14 GLY QA 1 15 GLY H  3.524 . 3.524 2.802 2.761 2.834     .  0 0 "[    .    1    .    2]" 1 
       104 1 14 GLY QA 1 16 LEU H  6.000 . 6.000 4.056 3.913 4.240     .  0 0 "[    .    1    .    2]" 1 
       105 1 14 GLY QA 1 17 LEU H  4.423 . 4.423 3.306 3.118 3.453     .  0 0 "[    .    1    .    2]" 1 
       106 1 14 GLY QA 1 17 LEU HG 4.159 . 4.159 3.803 2.276 4.265 0.106 16 0 "[    .    1    .    2]" 1 
       107 1 14 GLY QA 1 18 LYS H  6.000 . 6.000 4.340 3.980 4.723     .  0 0 "[    .    1    .    2]" 1 
       108 1 15 GLY H  1 15 GLY QA 2.248 . 2.248 2.201 2.188 2.207     .  0 0 "[    .    1    .    2]" 1 
       109 1 15 GLY H  1 16 LEU H  3.178 . 3.178 2.525 2.458 2.677     .  0 0 "[    .    1    .    2]" 1 
       110 1 15 GLY H  1 18 LYS H  6.000 . 6.000 4.860 4.633 5.134     .  0 0 "[    .    1    .    2]" 1 
       111 1 15 GLY QA 1 16 LEU H  3.202 . 3.202 2.734 2.640 2.796     .  0 0 "[    .    1    .    2]" 1 
       112 1 15 GLY QA 1 18 LYS H  4.272 . 4.272 3.470 3.322 3.592     .  0 0 "[    .    1    .    2]" 1 
       113 1 15 GLY QA 1 18 LYS QB 3.556 . 3.556 2.897 2.556 3.627 0.071  5 0 "[    .    1    .    2]" 1 
       114 1 16 LEU H  1 16 LEU HA 2.968 . 2.968 2.871 2.864 2.879     .  0 0 "[    .    1    .    2]" 1 
       115 1 16 LEU H  1 16 LEU QB 2.542 . 2.542 2.210 2.054 2.445     .  0 0 "[    .    1    .    2]" 1 
       116 1 16 LEU H  1 17 LEU H  3.228 . 3.228 2.334 2.307 2.366     .  0 0 "[    .    1    .    2]" 1 
       117 1 16 LEU H  1 17 LEU HA 4.748 . 4.748 4.929 4.892 4.985 0.237 17 0 "[    .    1    .    2]" 1 
       118 1 16 LEU H  1 18 LYS H  4.643 . 4.643 3.961 3.818 4.106     .  0 0 "[    .    1    .    2]" 1 
       119 1 16 LEU HA 1 16 LEU QB 2.682 . 2.682 2.445 2.335 2.543     .  0 0 "[    .    1    .    2]" 1 
       120 1 16 LEU HA 1 17 LEU H  3.698 . 3.698 3.396 3.355 3.458     .  0 0 "[    .    1    .    2]" 1 
       121 1 16 LEU HA 1 18 LYS H  4.135 . 4.135 3.843 3.733 3.956     .  0 0 "[    .    1    .    2]" 1 
       122 1 16 LEU HA 1 19 LYS H  4.127 . 4.127 3.893 3.762 4.044     .  0 0 "[    .    1    .    2]" 1 
       123 1 16 LEU QB 1 17 LEU H  2.957 . 2.957 2.970 2.788 3.053 0.096 19 0 "[    .    1    .    2]" 1 
       124 1 17 LEU H  1 17 LEU HA 2.947 . 2.947 2.827 2.820 2.830     .  0 0 "[    .    1    .    2]" 1 
       125 1 17 LEU H  1 17 LEU QB 2.358 . 2.358 2.182 2.054 2.377 0.019 17 0 "[    .    1    .    2]" 1 
       126 1 17 LEU H  1 18 LYS H  3.204 . 3.204 2.402 2.371 2.451     .  0 0 "[    .    1    .    2]" 1 
       127 1 17 LEU H  1 18 LYS HA 4.725 . 4.725 4.907 4.877 4.940 0.215  5 0 "[    .    1    .    2]" 1 
       128 1 17 LEU H  1 19 LYS H  4.407 . 4.407 4.552 4.521 4.681 0.274  2 0 "[    .    1    .    2]" 1 
       129 1 17 LEU H  1 20 ILE HB 4.165 . 4.165 4.219 4.198 4.246 0.081 18 0 "[    .    1    .    2]" 1 
       130 1 17 LEU HA 1 17 LEU QB 2.345 . 2.345 2.382 2.150 2.510 0.165  2 0 "[    .    1    .    2]" 1 
       131 1 17 LEU HA 1 18 LYS H  3.329 . 3.329 3.418 3.405 3.433 0.104  5 0 "[    .    1    .    2]" 1 
       132 1 18 LYS H  1 18 LYS HA 2.883 . 2.883 2.760 2.739 2.770     .  0 0 "[    .    1    .    2]" 1 
       133 1 18 LYS H  1 18 LYS QB     . . 2.633 2.068 2.012 2.597     .  0 0 "[    .    1    .    2]" 1 
       134 1 18 LYS H  1 18 LYS QD 3.807 . 3.807 3.499 3.314 3.962 0.155  5 0 "[    .    1    .    2]" 1 
       135 1 18 LYS H  1 18 LYS QG 3.351 . 3.351 3.421 1.957 3.560 0.209  1 0 "[    .    1    .    2]" 1 
       136 1 18 LYS HA 1 18 LYS QB 2.543 . 2.543 2.141 2.137 2.161     .  0 0 "[    .    1    .    2]" 1 
       137 1 18 LYS HA 1 18 LYS QE 5.997 . 5.997 4.586 4.505 4.891     .  0 0 "[    .    1    .    2]" 1 
       138 1 18 LYS HA 1 18 LYS QG 3.231 . 3.231 3.183 3.130 3.308 0.077  5 0 "[    .    1    .    2]" 1 
       139 1 18 LYS HA 1 19 LYS H  3.608 . 3.608 3.562 3.552 3.591     .  0 0 "[    .    1    .    2]" 1 
       140 1 18 LYS HA 1 19 LYS QE 5.088 . 5.088 5.178 5.127 5.235 0.147 19 0 "[    .    1    .    2]" 1 
       141 1 18 LYS QE 1 19 LYS QE 2.200 . 2.200 1.806 1.755 2.168 0.045 16 0 "[    .    1    .    2]" 1 
       142 1 18 LYS QE 1 20 ILE H  3.903 . 3.903 4.010 3.976 4.070 0.167  2 0 "[    .    1    .    2]" 1 
       143 1 18 LYS QE 1 20 ILE HB 5.514 . 5.514 5.528 5.450 5.569 0.055  5 0 "[    .    1    .    2]" 1 
       144 1 19 LYS H  1 19 LYS HA 2.892 . 2.892 2.912 2.907 2.921 0.029  5 0 "[    .    1    .    2]" 1 
       145 1 19 LYS H  1 19 LYS QB 2.521 . 2.521 2.352 2.306 2.633 0.112  2 0 "[    .    1    .    2]" 1 
       146 1 19 LYS H  1 19 LYS QD 3.145 . 3.145 2.216 1.965 2.364     .  0 0 "[    .    1    .    2]" 1 
       147 1 19 LYS H  1 19 LYS QG     . . 3.410 3.535 3.071 3.590 0.180 13 0 "[    .    1    .    2]" 1 
       148 1 19 LYS HA 1 19 LYS QB 2.773 . 2.773 2.145 2.141 2.148     .  0 0 "[    .    1    .    2]" 1 
       149 1 19 LYS HA 1 19 LYS QD 3.374 . 3.374 3.512 3.419 3.692 0.318  2 0 "[    .    1    .    2]" 1 
       150 1 19 LYS HA 1 19 LYS QE 6.000 . 6.000 4.314 4.147 4.547     .  0 0 "[    .    1    .    2]" 1 
       151 1 19 LYS HA 1 19 LYS QG 3.324 . 3.324 3.353 3.325 3.419 0.095  5 0 "[    .    1    .    2]" 1 
       152 1 19 LYS QE 1 20 ILE H  3.310 . 3.310 3.195 2.049 3.322 0.012  6 0 "[    .    1    .    2]" 1 
       153 1 19 LYS QE 1 20 ILE HA 4.403 . 4.403 4.424 2.992 4.526 0.123 15 0 "[    .    1    .    2]" 1 
       154 1 19 LYS QE 1 20 ILE HB 4.149 . 4.149 4.095 3.096 4.210 0.061 14 0 "[    .    1    .    2]" 1 
       155 1 20 ILE H  1 20 ILE HA 2.873 . 2.873 2.729 2.637 2.758     .  0 0 "[    .    1    .    2]" 1 
       156 1 20 ILE H  1 20 ILE HB 2.758 . 2.758 2.249 2.175 2.298     .  0 0 "[    .    1    .    2]" 1 
       157 1 20 ILE H  1 20 ILE MD     . . 4.818 4.018 3.610 4.352     .  0 0 "[    .    1    .    2]" 1 
       158 1 20 ILE H  1 20 ILE QG 3.671 . 3.671 2.657 2.601 2.805     .  0 0 "[    .    1    .    2]" 1 
       159 1 20 ILE HA 1 20 ILE HB 2.715 . 2.715 2.584 2.559 2.630     .  0 0 "[    .    1    .    2]" 1 
       160 1 20 ILE HA 1 20 ILE QG 2.507 . 2.507 2.158 2.001 2.495     .  0 0 "[    .    1    .    2]" 1 
    stop_

save_



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