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
642565 2yh0 17622 cing 4-filtered-FRED Wattos check violation distance


data_2yh0


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              101
    _Distance_constraint_stats_list.Viol_count                    251
    _Distance_constraint_stats_list.Viol_total                    79.370
    _Distance_constraint_stats_list.Viol_max                      0.106
    _Distance_constraint_stats_list.Viol_rms                      0.0185
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0079
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0316
    _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   7 LEU 0.109 0.029  6 0 "[    .    1]" 
       1   8 TYR 0.316 0.055  4 0 "[    .    1]" 
       1   9 VAL 0.018 0.009  5 0 "[    .    1]" 
       1  10 GLY 0.101 0.030  3 0 "[    .    1]" 
       1  19 GLU 0.000 0.000  . 0 "[    .    1]" 
       1  20 ALA 0.035 0.035  8 0 "[    .    1]" 
       1  21 MET 0.013 0.013 10 0 "[    .    1]" 
       1  22 MET 0.047 0.026  2 0 "[    .    1]" 
       1  23 ASP 0.029 0.018  7 0 "[    .    1]" 
       1  24 PHE 0.035 0.035  8 0 "[    .    1]" 
       1  25 PHE 0.044 0.031  6 0 "[    .    1]" 
       1  26 ASN 0.058 0.026  2 0 "[    .    1]" 
       1  27 ALA 0.151 0.046  7 0 "[    .    1]" 
       1  28 GLN 0.000 0.000  . 0 "[    .    1]" 
       1  29 MET 0.031 0.031  6 0 "[    .    1]" 
       1  30 ARG 0.011 0.010 10 0 "[    .    1]" 
       1  31 LEU 0.122 0.046  7 0 "[    .    1]" 
       1  44 ALA 0.143 0.037 10 0 "[    .    1]" 
       1  46 GLN 0.194 0.055 10 0 "[    .    1]" 
       1  48 ASN 0.251 0.065  4 0 "[    .    1]" 
       1  53 PHE 0.251 0.065  4 0 "[    .    1]" 
       1  54 ALA 0.018 0.009  5 0 "[    .    1]" 
       1  55 PHE 0.194 0.055 10 0 "[    .    1]" 
       1  56 LEU 0.109 0.029  6 0 "[    .    1]" 
       1  57 GLU 0.143 0.037 10 0 "[    .    1]" 
       1  63 GLU 0.732 0.097  8 0 "[    .    1]" 
       1  64 THR 0.595 0.088 10 0 "[    .    1]" 
       1  65 THR 0.626 0.093 10 0 "[    .    1]" 
       1  66 GLN 0.773 0.097  8 0 "[    .    1]" 
       1  67 ALA 0.650 0.088 10 0 "[    .    1]" 
       1  68 MET 0.703 0.093 10 0 "[    .    1]" 
       1  69 ALA 0.041 0.027  3 0 "[    .    1]" 
       1  70 PHE 0.055 0.034  4 0 "[    .    1]" 
       1  71 ASP 0.077 0.029  1 0 "[    .    1]" 
       1  81 LYS 0.101 0.030  3 0 "[    .    1]" 
       1  83 ARG 0.316 0.055  4 0 "[    .    1]" 
       1 117 LEU 0.496 0.056  2 0 "[    .    1]" 
       1 118 PHE 1.065 0.100  1 0 "[    .    1]" 
       1 119 ILE 0.065 0.030  9 0 "[    .    1]" 
       1 120 GLY 0.293 0.044  8 0 "[    .    1]" 
       1 128 ASP 0.000 0.000  . 0 "[    .    1]" 
       1 129 ASP 0.126 0.060 10 0 "[    .    1]" 
       1 130 GLN 0.000 0.000  . 0 "[    .    1]" 
       1 131 VAL 0.018 0.012  7 0 "[    .    1]" 
       1 132 LYS 0.357 0.106  7 0 "[    .    1]" 
       1 133 GLU 0.445 0.074  4 0 "[    .    1]" 
       1 134 LEU 0.000 0.000  . 0 "[    .    1]" 
       1 135 LEU 0.018 0.012  7 0 "[    .    1]" 
       1 136 THR 0.357 0.106  7 0 "[    .    1]" 
       1 137 SER 0.319 0.074  4 0 "[    .    1]" 
       1 143 ALA 0.456 0.075 10 0 "[    .    1]" 
       1 145 ASN 0.000 0.000  . 0 "[    .    1]" 
       1 147 VAL 0.352 0.076  4 0 "[    .    1]" 
       1 158 TYR 0.352 0.076  4 0 "[    .    1]" 
       1 159 ALA 0.065 0.030  9 0 "[    .    1]" 
       1 160 PHE 0.000 0.000  . 0 "[    .    1]" 
       1 161 CYS 0.496 0.056  2 0 "[    .    1]" 
       1 162 GLU 0.456 0.075 10 0 "[    .    1]" 
       1 168 VAL 0.338 0.073 10 0 "[    .    1]" 
       1 169 THR 0.107 0.064  2 0 "[    .    1]" 
       1 170 ASP 0.038 0.030  4 0 "[    .    1]" 
       1 171 GLN 0.100 0.033  5 0 "[    .    1]" 
       1 172 ALA 0.600 0.073 10 0 "[    .    1]" 
       1 173 ILE 0.107 0.064  2 0 "[    .    1]" 
       1 174 ALA 0.038 0.030  4 0 "[    .    1]" 
       1 175 GLY 0.100 0.033  5 0 "[    .    1]" 
       1 176 LEU 0.262 0.054 10 0 "[    .    1]" 
       1 187 LEU 0.293 0.044  8 0 "[    .    1]" 
       1 189 GLN 1.065 0.100  1 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   7 LEU H 1  56 LEU O 1.800     . 2.300 1.968 1.830 2.304 0.004  4 0 "[    .    1]" 1 
         2 1   7 LEU N 1  56 LEU O 2.800 2.800 3.300 2.883 2.771 3.226 0.029  6 0 "[    .    1]" 1 
         3 1   7 LEU O 1  56 LEU H 1.800     . 2.300 2.095 1.934 2.311 0.011  7 0 "[    .    1]" 1 
         4 1   7 LEU O 1  56 LEU N 2.800 2.800 3.300 3.028 2.877 3.258     .  0 0 "[    .    1]" 1 
         5 1   8 TYR H 1  83 ARG O 1.800     . 2.300 1.879 1.794 2.065 0.006  2 0 "[    .    1]" 1 
         6 1   8 TYR N 1  83 ARG O 2.800 2.800 3.300 2.805 2.745 2.980 0.055  4 0 "[    .    1]" 1 
         7 1   8 TYR O 1  83 ARG H 1.800     . 2.300 1.872 1.779 2.063 0.021  6 0 "[    .    1]" 1 
         8 1   8 TYR O 1  83 ARG N 2.800 2.800 3.300 2.852 2.761 3.044 0.039  3 0 "[    .    1]" 1 
         9 1   9 VAL H 1  54 ALA O 1.800     . 2.300 1.994 1.879 2.090     .  0 0 "[    .    1]" 1 
        10 1   9 VAL N 1  54 ALA O 2.800 2.800 3.300 2.962 2.847 3.063     .  0 0 "[    .    1]" 1 
        11 1   9 VAL O 1  54 ALA H 1.800     . 2.300 1.938 1.873 2.035     .  0 0 "[    .    1]" 1 
        12 1   9 VAL O 1  54 ALA N 2.800 2.800 3.300 2.831 2.791 2.901 0.009  5 0 "[    .    1]" 1 
        13 1  10 GLY H 1  81 LYS O 1.800     . 2.300 1.865 1.831 1.913     .  0 0 "[    .    1]" 1 
        14 1  10 GLY N 1  81 LYS O 2.800 2.800 3.300 2.795 2.770 2.823 0.030  3 0 "[    .    1]" 1 
        15 1  10 GLY O 1  81 LYS H 1.800     . 2.300 1.985 1.902 2.104     .  0 0 "[    .    1]" 1 
        16 1  10 GLY O 1  81 LYS N 2.800 2.800 3.300 2.927 2.835 3.039     .  0 0 "[    .    1]" 1 
        17 1  19 GLU O 1  23 ASP H 1.800     . 2.300 1.942 1.834 2.047     .  0 0 "[    .    1]" 1 
        18 1  19 GLU O 1  23 ASP N 2.800 2.800 3.300 2.901 2.803 3.004     .  0 0 "[    .    1]" 1 
        19 1  20 ALA O 1  24 PHE H 1.800     . 2.300 2.052 1.802 2.128     .  0 0 "[    .    1]" 1 
        20 1  20 ALA O 1  24 PHE N 2.800 2.800 3.300 2.942 2.765 3.015 0.035  8 0 "[    .    1]" 1 
        21 1  21 MET O 1  25 PHE H 1.800     . 2.300 2.197 2.051 2.313 0.013 10 0 "[    .    1]" 1 
        22 1  21 MET O 1  25 PHE N 2.800 2.800 3.300 3.153 3.003 3.264     .  0 0 "[    .    1]" 1 
        23 1  22 MET O 1  26 ASN H 1.800     . 2.300 2.047 1.866 2.326 0.026  2 0 "[    .    1]" 1 
        24 1  22 MET O 1  26 ASN N 2.800 2.800 3.300 3.010 2.840 3.265     .  0 0 "[    .    1]" 1 
        25 1  23 ASP O 1  27 ALA H 1.800     . 2.300 1.905 1.836 1.976     .  0 0 "[    .    1]" 1 
        26 1  23 ASP O 1  27 ALA N 2.800 2.800 3.300 2.830 2.782 2.921 0.018  7 0 "[    .    1]" 1 
        27 1  24 PHE O 1  28 GLN H 1.800     . 2.300 1.998 1.904 2.141     .  0 0 "[    .    1]" 1 
        28 1  24 PHE O 1  28 GLN N 2.800 2.800 3.300 2.952 2.859 3.088     .  0 0 "[    .    1]" 1 
        29 1  25 PHE O 1  29 MET H 1.800     . 2.300 1.980 1.873 2.115     .  0 0 "[    .    1]" 1 
        30 1  25 PHE O 1  29 MET N 2.800 2.800 3.300 2.894 2.769 3.006 0.031  6 0 "[    .    1]" 1 
        31 1  26 ASN O 1  30 ARG H 1.800     . 2.300 2.114 1.954 2.310 0.010 10 0 "[    .    1]" 1 
        32 1  26 ASN O 1  30 ARG N 2.800 2.800 3.300 3.036 2.878 3.256     .  0 0 "[    .    1]" 1 
        33 1  27 ALA O 1  31 LEU H 1.800     . 2.300 1.829 1.754 2.063 0.046  7 0 "[    .    1]" 1 
        34 1  44 ALA H 1  57 GLU O 1.800     . 2.300 2.128 1.842 2.337 0.037 10 0 "[    .    1]" 1 
        35 1  44 ALA N 1  57 GLU O 2.800 2.800 3.300 3.084 2.819 3.302 0.002 10 0 "[    .    1]" 1 
        36 1  44 ALA O 1  57 GLU H 1.800     . 2.300 1.908 1.831 2.065     .  0 0 "[    .    1]" 1 
        37 1  44 ALA O 1  57 GLU N 2.800 2.800 3.300 2.851 2.775 3.005 0.025  2 0 "[    .    1]" 1 
        38 1  46 GLN O 1  55 PHE H 1.800     . 2.300 1.847 1.794 1.970 0.006  7 0 "[    .    1]" 1 
        39 1  46 GLN O 1  55 PHE N 2.800 2.800 3.300 2.804 2.745 2.914 0.055 10 0 "[    .    1]" 1 
        40 1  48 ASN H 1  53 PHE O 1.800     . 2.300 1.873 1.776 2.003 0.024  4 0 "[    .    1]" 1 
        41 1  48 ASN N 1  53 PHE O 2.800 2.800 3.300 2.790 2.735 2.900 0.065  4 0 "[    .    1]" 1 
        42 1  48 ASN O 1  53 PHE H 1.800     . 2.300 1.995 1.856 2.140     .  0 0 "[    .    1]" 1 
        43 1  48 ASN O 1  53 PHE N 2.800 2.800 3.300 2.944 2.805 3.078     .  0 0 "[    .    1]" 1 
        44 1  63 GLU O 1  66 GLN H 1.800     . 2.300 2.373 2.326 2.397 0.097  8 0 "[    .    1]" 1 
        45 1  63 GLU O 1  66 GLN N 2.800 2.800 3.300 2.990 2.962 3.025     .  0 0 "[    .    1]" 1 
        46 1  64 THR O 1  67 ALA H 1.800     . 2.300 2.359 2.332 2.388 0.088 10 0 "[    .    1]" 1 
        47 1  64 THR O 1  67 ALA N 2.800 2.800 3.300 3.068 3.012 3.125     .  0 0 "[    .    1]" 1 
        48 1  65 THR O 1  68 MET H 1.800     . 2.300 2.362 2.333 2.393 0.093 10 0 "[    .    1]" 1 
        49 1  65 THR O 1  68 MET N 2.800 2.800 3.300 3.239 3.121 3.303 0.003 10 0 "[    .    1]" 1 
        50 1  66 GLN O 1  69 ALA H 1.800     . 2.300 2.162 1.981 2.327 0.027  3 0 "[    .    1]" 1 
        51 1  66 GLN O 1  69 ALA N 2.800 2.800 3.300 3.104 2.916 3.270     .  0 0 "[    .    1]" 1 
        52 1  67 ALA O 1  70 PHE H 1.800     . 2.300 2.225 2.090 2.334 0.034  4 0 "[    .    1]" 1 
        53 1  67 ALA O 1  70 PHE N 2.800 2.800 3.300 3.161 3.015 3.262     .  0 0 "[    .    1]" 1 
        54 1  68 MET O 1  71 ASP H 1.800     . 2.300 2.266 2.097 2.329 0.029  1 0 "[    .    1]" 1 
        55 1  68 MET O 1  71 ASP N 2.800 2.800 3.300 3.164 2.978 3.237     .  0 0 "[    .    1]" 1 
        56 1 117 LEU H 1 161 CYS O 1.800     . 2.300 1.803 1.776 1.833 0.024  6 0 "[    .    1]" 1 
        57 1 117 LEU N 1 161 CYS O 2.800 2.800 3.300 2.760 2.744 2.771 0.056  2 0 "[    .    1]" 1 
        58 1 117 LEU O 1 161 CYS H 1.800     . 2.300 1.979 1.815 2.246     .  0 0 "[    .    1]" 1 
        59 1 117 LEU O 1 161 CYS N 2.800 2.800 3.300 2.945 2.786 3.184 0.014  3 0 "[    .    1]" 1 
        60 1 118 PHE H 1 189 GLN O 1.800     . 2.300 1.815 1.742 1.909 0.058  5 0 "[    .    1]" 1 
        61 1 118 PHE N 1 189 GLN O 2.800 2.800 3.300 2.730 2.700 2.794 0.100  1 0 "[    .    1]" 1 
        62 1 118 PHE O 1 189 GLN H 1.800     . 2.300 2.186 1.987 2.358 0.058  1 0 "[    .    1]" 1 
        63 1 118 PHE O 1 189 GLN N 2.800 2.800 3.300 3.134 2.961 3.312 0.012  1 0 "[    .    1]" 1 
        64 1 119 ILE H 1 159 ALA O 1.800     . 2.300 1.941 1.848 2.140     .  0 0 "[    .    1]" 1 
        65 1 119 ILE N 1 159 ALA O 2.800 2.800 3.300 2.899 2.790 3.105 0.010  3 0 "[    .    1]" 1 
        66 1 119 ILE O 1 159 ALA H 1.800     . 2.300 1.949 1.834 2.169     .  0 0 "[    .    1]" 1 
        67 1 119 ILE O 1 159 ALA N 2.800 2.800 3.300 2.863 2.770 3.082 0.030  9 0 "[    .    1]" 1 
        68 1 120 GLY H 1 187 LEU O 1.800     . 2.300 1.869 1.789 2.041 0.011  9 0 "[    .    1]" 1 
        69 1 120 GLY N 1 187 LEU O 2.800 2.800 3.300 2.843 2.756 3.020 0.044  8 0 "[    .    1]" 1 
        70 1 120 GLY O 1 187 LEU H 1.800     . 2.300 1.833 1.782 1.919 0.018  9 0 "[    .    1]" 1 
        71 1 120 GLY O 1 187 LEU N 2.800 2.800 3.300 2.789 2.760 2.849 0.040  9 0 "[    .    1]" 1 
        72 1 128 ASP O 1 132 LYS H 1.800     . 2.300 2.040 1.849 2.175     .  0 0 "[    .    1]" 1 
        73 1 128 ASP O 1 132 LYS N 2.800 2.800 3.300 2.997 2.817 3.133     .  0 0 "[    .    1]" 1 
        74 1 129 ASP O 1 133 GLU H 1.800     . 2.300 2.086 1.866 2.360 0.060 10 0 "[    .    1]" 1 
        75 1 129 ASP O 1 133 GLU N 2.800 2.800 3.300 3.043 2.831 3.318 0.018 10 0 "[    .    1]" 1 
        76 1 130 GLN O 1 134 LEU H 1.800     . 2.300 2.040 1.906 2.242     .  0 0 "[    .    1]" 1 
        77 1 130 GLN O 1 134 LEU N 2.800 2.800 3.300 2.994 2.858 3.199     .  0 0 "[    .    1]" 1 
        78 1 131 VAL O 1 135 LEU H 1.800     . 2.300 2.178 2.063 2.312 0.012  7 0 "[    .    1]" 1 
        79 1 132 LYS O 1 136 THR H 1.800     . 2.300 1.857 1.802 1.895     .  0 0 "[    .    1]" 1 
        80 1 132 LYS O 1 136 THR N 2.800 2.800 3.300 2.764 2.694 2.795 0.106  7 0 "[    .    1]" 1 
        81 1 133 GLU O 1 137 SER H 1.800     . 2.300 2.283 2.008 2.374 0.074  4 0 "[    .    1]" 1 
        82 1 143 ALA H 1 162 GLU O 1.800     . 2.300 2.316 2.158 2.375 0.075 10 0 "[    .    1]" 1 
        83 1 143 ALA N 1 162 GLU O 2.800 2.800 3.300 3.252 3.104 3.320 0.020  5 0 "[    .    1]" 1 
        84 1 143 ALA O 1 162 GLU H 1.800     . 2.300 1.933 1.791 2.123 0.009  5 0 "[    .    1]" 1 
        85 1 143 ALA O 1 162 GLU N 2.800 2.800 3.300 2.858 2.748 3.037 0.052  5 0 "[    .    1]" 1 
        86 1 145 ASN H 1 160 PHE O 1.800     . 2.300 1.996 1.928 2.086     .  0 0 "[    .    1]" 1 
        87 1 145 ASN N 1 160 PHE O 2.800 2.800 3.300 2.961 2.896 3.054     .  0 0 "[    .    1]" 1 
        88 1 145 ASN O 1 160 PHE H 1.800     . 2.300 1.987 1.901 2.063     .  0 0 "[    .    1]" 1 
        89 1 145 ASN O 1 160 PHE N 2.800 2.800 3.300 2.955 2.880 3.021     .  0 0 "[    .    1]" 1 
        90 1 147 VAL H 1 158 TYR O 1.800     . 2.300 2.331 2.266 2.376 0.076  4 0 "[    .    1]" 1 
        91 1 147 VAL N 1 158 TYR O 2.800 2.800 3.300 3.216 3.121 3.306 0.006  4 0 "[    .    1]" 1 
        92 1 168 VAL O 1 172 ALA H 1.800     . 2.300 1.863 1.784 2.088 0.016 10 0 "[    .    1]" 1 
        93 1 168 VAL O 1 172 ALA N 2.800 2.800 3.300 2.787 2.727 2.989 0.073 10 0 "[    .    1]" 1 
        94 1 169 THR O 1 173 ILE H 1.800     . 2.300 2.154 1.861 2.364 0.064  2 0 "[    .    1]" 1 
        95 1 169 THR O 1 173 ILE N 2.800 2.800 3.300 3.091 2.839 3.302 0.002  2 0 "[    .    1]" 1 
        96 1 170 ASP O 1 174 ALA H 1.800     . 2.300 2.117 1.921 2.330 0.030  4 0 "[    .    1]" 1 
        97 1 170 ASP O 1 174 ALA N 2.800 2.800 3.300 3.035 2.872 3.202     .  0 0 "[    .    1]" 1 
        98 1 171 GLN O 1 175 GLY H 1.800     . 2.300 2.079 1.793 2.333 0.033  5 0 "[    .    1]" 1 
        99 1 171 GLN O 1 175 GLY N 2.800 2.800 3.300 2.930 2.768 3.167 0.032  2 0 "[    .    1]" 1 
       100 1 172 ALA O 1 176 LEU H 1.800     . 2.300 1.831 1.782 1.948 0.018  7 0 "[    .    1]" 1 
       101 1 172 ALA O 1 176 LEU N 2.800 2.800 3.300 2.779 2.746 2.825 0.054 10 0 "[    .    1]" 1 
    stop_

save_



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