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
554343 2m06 18796 cing 4-filtered-FRED Wattos check violation distance


data_2m06


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              58
    _Distance_constraint_stats_list.Viol_count                    787
    _Distance_constraint_stats_list.Viol_total                    919.636
    _Distance_constraint_stats_list.Viol_max                      0.176
    _Distance_constraint_stats_list.Viol_rms                      0.0416
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0396
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0584
    _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   2 THR 0.096 0.010 12 0 "[    .    1    .    2]" 
       1   3 SER 0.429 0.045 17 0 "[    .    1    .    2]" 
       1   4 THR 0.249 0.030  4 0 "[    .    1    .    2]" 
       1   5 VAL 1.394 0.088 19 0 "[    .    1    .    2]" 
       1   6 THR 0.126 0.036 16 0 "[    .    1    .    2]" 
       1   7 GLY 1.326 0.087  6 0 "[    .    1    .    2]" 
       1   8 GLY 1.206 0.077  5 0 "[    .    1    .    2]" 
       1   9 TYR 0.108 0.024  2 0 "[    .    1    .    2]" 
       1  10 ALA 0.598 0.047  2 0 "[    .    1    .    2]" 
       1  12 SER 2.034 0.118 14 0 "[    .    1    .    2]" 
       1  13 ASP 1.515 0.112  7 0 "[    .    1    .    2]" 
       1  14 ALA 2.168 0.144 15 0 "[    .    1    .    2]" 
       1  15 GLN 2.168 0.144 15 0 "[    .    1    .    2]" 
       1  21 MET 2.034 0.118 14 0 "[    .    1    .    2]" 
       1  22 GLY 1.435 0.099  2 0 "[    .    1    .    2]" 
       1  23 GLY 0.598 0.047  2 0 "[    .    1    .    2]" 
       1  24 PHE 1.120 0.081 16 0 "[    .    1    .    2]" 
       1  25 ASN 1.206 0.077  5 0 "[    .    1    .    2]" 
       1  26 LEU 0.924 0.083  5 0 "[    .    1    .    2]" 
       1  27 LYS 0.126 0.036 16 0 "[    .    1    .    2]" 
       1  28 TYR 0.585 0.061 14 0 "[    .    1    .    2]" 
       1  29 ARG 0.249 0.030  4 0 "[    .    1    .    2]" 
       1  30 TYR 0.394 0.058 12 0 "[    .    1    .    2]" 
       1  31 GLU 0.096 0.010 12 0 "[    .    1    .    2]" 
       1  32 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  33 ASP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  34 ASN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  35 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  38 GLY 2.862 0.166 10 0 "[    .    1    .    2]" 
       1  39 VAL 0.394 0.058 12 0 "[    .    1    .    2]" 
       1  40 ILE 0.368 0.065  2 0 "[    .    1    .    2]" 
       1  41 GLY 0.585 0.061 14 0 "[    .    1    .    2]" 
       1  42 SER 0.027 0.011 17 0 "[    .    1    .    2]" 
       1  43 PHE 0.924 0.083  5 0 "[    .    1    .    2]" 
       1  44 THR 1.410 0.108 16 0 "[    .    1    .    2]" 
       1  45 TYR 1.120 0.081 16 0 "[    .    1    .    2]" 
       1  46 THR 0.565 0.062  3 0 "[    .    1    .    2]" 
       1  47 GLU 1.435 0.099  2 0 "[    .    1    .    2]" 
       1  61 GLN 1.471 0.089  6 0 "[    .    1    .    2]" 
       1  62 TYR 0.565 0.062  3 0 "[    .    1    .    2]" 
       1  63 TYR 1.137 0.082  2 0 "[    .    1    .    2]" 
       1  64 GLY 1.410 0.108 16 0 "[    .    1    .    2]" 
       1  65 ILE 2.005 0.122  7 0 "[    .    1    .    2]" 
       1  66 THR 0.027 0.011 17 0 "[    .    1    .    2]" 
       1  67 ALA 0.912 0.071 16 0 "[    .    1    .    2]" 
       1  68 GLY 0.368 0.065  2 0 "[    .    1    .    2]" 
       1  70 ALA 2.862 0.166 10 0 "[    .    1    .    2]" 
       1  71 TYR 2.268 0.157 11 0 "[    .    1    .    2]" 
       1  73 ILE 0.186 0.114 15 0 "[    .    1    .    2]" 
       1  74 ASN 0.186 0.114 15 0 "[    .    1    .    2]" 
       1  78 SER 0.500 0.054  6 0 "[    .    1    .    2]" 
       1  79 ILE 2.268 0.157 11 0 "[    .    1    .    2]" 
       1  80 TYR 1.214 0.093 20 0 "[    .    1    .    2]" 
       1  82 VAL 1.118 0.100 19 0 "[    .    1    .    2]" 
       1  83 VAL 0.912 0.071 16 0 "[    .    1    .    2]" 
       1  84 GLY 1.930 0.145  6 0 "[    .    1    .    2]" 
       1  85 VAL 2.005 0.122  7 0 "[    .    1    .    2]" 
       1  86 GLY 0.689 0.060 10 0 "[    .    1    .    2]" 
       1  87 TYR 1.137 0.082  2 0 "[    .    1    .    2]" 
       1  88 GLY 0.205 0.036  3 0 "[    .    1    .    2]" 
       1  89 LYS 1.471 0.089  6 0 "[    .    1    .    2]" 
       1 104 ASP 0.205 0.036  3 0 "[    .    1    .    2]" 
       1 106 GLY 0.689 0.060 10 0 "[    .    1    .    2]" 
       1 107 PHE 0.351 0.035 15 0 "[    .    1    .    2]" 
       1 108 SER 1.930 0.145  6 0 "[    .    1    .    2]" 
       1 109 TYR 0.516 0.046 19 0 "[    .    1    .    2]" 
       1 110 GLY 1.118 0.100 19 0 "[    .    1    .    2]" 
       1 111 ALA 0.012 0.007 10 0 "[    .    1    .    2]" 
       1 112 GLY 1.214 0.093 20 0 "[    .    1    .    2]" 
       1 113 LEU 1.300 0.089  7 0 "[    .    1    .    2]" 
       1 114 GLN 0.500 0.054  6 0 "[    .    1    .    2]" 
       1 115 PHE 1.467 0.099  8 0 "[    .    1    .    2]" 
       1 118 MET 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 119 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 120 ASN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 121 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 122 ALA 0.775 0.062 17 0 "[    .    1    .    2]" 
       1 123 LEU 1.467 0.099  8 0 "[    .    1    .    2]" 
       1 124 ASP 1.739 0.102 14 0 "[    .    1    .    2]" 
       1 125 PHE 1.300 0.089  7 0 "[    .    1    .    2]" 
       1 127 TYR 0.012 0.007 10 0 "[    .    1    .    2]" 
       1 129 GLN 0.516 0.046 19 0 "[    .    1    .    2]" 
       1 130 SER 0.956 0.068  7 0 "[    .    1    .    2]" 
       1 131 ARG 0.351 0.035 15 0 "[    .    1    .    2]" 
       1 132 ILE 4.288 0.176  3 0 "[    .    1    .    2]" 
       1 133 ARG 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 134 SER 2.968 0.176  3 0 "[    .    1    .    2]" 
       1 135 VAL 1.320 0.156  6 0 "[    .    1    .    2]" 
       1 136 ASP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 137 VAL 0.956 0.068  7 0 "[    .    1    .    2]" 
       1 138 GLY 1.515 0.112  7 0 "[    .    1    .    2]" 
       1 142 ALA 0.108 0.024  2 0 "[    .    1    .    2]" 
       1 143 GLY 1.739 0.102 14 0 "[    .    1    .    2]" 
       1 144 VAL 1.326 0.087  6 0 "[    .    1    .    2]" 
       1 145 GLY 0.775 0.062 17 0 "[    .    1    .    2]" 
       1 146 TYR 1.394 0.088 19 0 "[    .    1    .    2]" 
       1 147 ARG 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 148 PHE 0.429 0.045 17 0 "[    .    1    .    2]" 
    stop_

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

        1 1  40 ILE H 1  68 GLY H 0.000     . 2.800 2.815 2.774 2.865 0.065  2 0 "[    .    1    .    2]" 1 
        2 1   8 GLY H 1  25 ASN H 0.000     . 2.800 2.860 2.840 2.877 0.077  5 0 "[    .    1    .    2]" 1 
        3 1   7 GLY H 1 144 VAL H 0.000     . 2.800 2.866 2.850 2.887 0.087  6 0 "[    .    1    .    2]" 1 
        4 1  82 VAL H 1 110 GLY H 0.000     . 2.800 2.856 2.824 2.900 0.100 19 0 "[    .    1    .    2]" 1 
        5 1 124 ASP H 1 143 GLY H 0.000     . 2.800 2.887 2.858 2.902 0.102 14 0 "[    .    1    .    2]" 1 
        6 1  42 SER H 1  66 THR H 0.000     . 3.200 3.104 2.858 3.211 0.011 17 0 "[    .    1    .    2]" 1 
        7 1  67 ALA H 1  83 VAL H 0.000     . 2.800 2.846 2.833 2.871 0.071 16 0 "[    .    1    .    2]" 1 
        8 1  44 THR H 1  64 GLY H 0.000     . 2.800 2.871 2.840 2.908 0.108 16 0 "[    .    1    .    2]" 1 
        9 1 122 ALA H 1 145 GLY H 0.000     . 2.800 2.839 2.814 2.862 0.062 17 0 "[    .    1    .    2]" 1 
       10 1  84 GLY H 1 108 SER H 0.000     . 2.800 2.897 2.871 2.945 0.145  6 0 "[    .    1    .    2]" 1 
       11 1  84 GLY H 1  85 VAL H 2.700 2.700 6.700 4.370 4.353 4.385     .  0 0 "[    .    1    .    2]" 1 
       12 1  80 TYR H 1 112 GLY H 0.000     . 2.800 2.861 2.834 2.893 0.093 20 0 "[    .    1    .    2]" 1 
       13 1  10 ALA H 1  23 GLY H 0.000     . 3.200 3.230 3.209 3.247 0.047  2 0 "[    .    1    .    2]" 1 
       14 1  34 ASN H 1  35 SER H 0.000     . 4.000 2.248 2.235 2.284     .  0 0 "[    .    1    .    2]" 1 
       15 1  88 GLY H 1 104 ASP H 0.000     . 3.200 3.193 3.065 3.236 0.036  3 0 "[    .    1    .    2]" 1 
       16 1  22 GLY H 1  47 GLU H 0.000     . 2.800 2.872 2.841 2.899 0.099  2 0 "[    .    1    .    2]" 1 
       17 1  86 GLY H 1 106 GLY H 0.000     . 2.800 2.834 2.807 2.860 0.060 10 0 "[    .    1    .    2]" 1 
       18 1  38 GLY H 1  70 ALA H 0.000     . 2.800 2.943 2.923 2.966 0.166 10 0 "[    .    1    .    2]" 1 
       19 1 113 LEU H 1 125 PHE H 0.000     . 2.800 2.865 2.847 2.889 0.089  7 0 "[    .    1    .    2]" 1 
       20 1  30 TYR H 1  39 VAL H 0.000     . 3.200 3.219 3.180 3.258 0.058 12 0 "[    .    1    .    2]" 1 
       21 1  65 ILE H 1  85 VAL H 0.000     . 2.800 2.900 2.884 2.922 0.122  7 0 "[    .    1    .    2]" 1 
       22 1  26 LEU H 1  43 PHE H 0.000     . 2.800 2.846 2.824 2.883 0.083  5 0 "[    .    1    .    2]" 1 
       23 1 133 ARG H 1 135 VAL H 2.700 2.700 6.700 4.551 4.435 4.978     .  0 0 "[    .    1    .    2]" 1 
       24 1 132 ILE H 1 135 VAL H 0.000     . 3.200 3.266 3.233 3.356 0.156  6 0 "[    .    1    .    2]" 1 
       25 1 134 SER H 1 135 VAL H 0.000     . 3.200 2.780 2.479 2.867     .  0 0 "[    .    1    .    2]" 1 
       26 1 115 PHE H 1 123 LEU H 0.000     . 2.800 2.873 2.846 2.899 0.099  8 0 "[    .    1    .    2]" 1 
       27 1  78 SER H 1 114 GLN H 0.000     . 3.200 3.223 3.164 3.254 0.054  6 0 "[    .    1    .    2]" 1 
       28 1  24 PHE H 1  45 TYR H 0.000     . 2.800 2.856 2.831 2.881 0.081 16 0 "[    .    1    .    2]" 1 
       29 1  45 TYR H 1  46 THR H 2.700 2.700 6.700 4.290 4.235 4.339     .  0 0 "[    .    1    .    2]" 1 
       30 1 107 PHE H 1 131 ARG H 0.000     . 3.200 3.218 3.200 3.235 0.035 15 0 "[    .    1    .    2]" 1 
       31 1  71 TYR H 1  79 ILE H 0.000     . 2.800 2.913 2.871 2.957 0.157 11 0 "[    .    1    .    2]" 1 
       32 1  32 GLU H 1  34 ASN H 2.700 2.700 7.700 5.852 5.775 5.960     .  0 0 "[    .    1    .    2]" 1 
       33 1  12 SER H 1  21 MET H 0.000     . 2.800 2.902 2.888 2.918 0.118 14 0 "[    .    1    .    2]" 1 
       34 1  61 GLN H 1  89 LYS H 0.000     . 2.800 2.874 2.860 2.889 0.089  6 0 "[    .    1    .    2]" 1 
       35 1  15 GLN H 1 136 ASP H 0.000     . 4.000 3.738 3.588 3.941     .  0 0 "[    .    1    .    2]" 1 
       36 1 147 ARG H 1 148 PHE H 2.700 2.700 7.700 4.488 4.427 4.551     .  0 0 "[    .    1    .    2]" 1 
       37 1 120 ASN H 1 121 VAL H 0.000     . 3.200 2.750 2.521 2.832     .  0 0 "[    .    1    .    2]" 1 
       38 1  14 ALA H 1  15 GLN H 0.000     . 4.000 4.108 4.054 4.144 0.144 15 0 "[    .    1    .    2]" 1 
       39 1 111 ALA H 1 127 TYR H 0.000     . 3.200 3.076 2.916 3.207 0.007 10 0 "[    .    1    .    2]" 1 
       40 1 132 ILE H 1 134 SER H 0.000     . 4.000 4.148 4.082 4.176 0.176  3 0 "[    .    1    .    2]" 1 
       41 1 132 ILE H 1 133 ARG H 2.700 2.700 6.700 3.911 3.836 4.224     .  0 0 "[    .    1    .    2]" 1 
       42 1   3 SER H 1 148 PHE H 0.000     . 3.200 3.221 3.191 3.245 0.045 17 0 "[    .    1    .    2]" 1 
       43 1   5 VAL H 1 146 TYR H 0.000     . 2.800 2.870 2.849 2.888 0.088 19 0 "[    .    1    .    2]" 1 
       44 1   9 TYR H 1 142 ALA H 0.000     . 3.200 3.196 3.104 3.224 0.024  2 0 "[    .    1    .    2]" 1 
       45 1   6 THR H 1  27 LYS H 0.000     . 3.200 3.143 2.923 3.236 0.036 16 0 "[    .    1    .    2]" 1 
       46 1   4 THR H 1  29 ARG H 0.000     . 3.200 3.199 3.003 3.230 0.030  4 0 "[    .    1    .    2]" 1 
       47 1  13 ASP H 1 138 GLY H 0.000     . 2.800 2.876 2.860 2.912 0.112  7 0 "[    .    1    .    2]" 1 
       48 1 109 TYR H 1 129 GLN H 0.000     . 3.200 3.223 3.155 3.246 0.046 19 0 "[    .    1    .    2]" 1 
       49 1  63 TYR H 1  87 TYR H 0.000     . 2.800 2.857 2.835 2.882 0.082  2 0 "[    .    1    .    2]" 1 
       50 1  46 THR H 1  62 TYR H 0.000     . 3.200 3.221 3.113 3.262 0.062  3 0 "[    .    1    .    2]" 1 
       51 1  28 TYR H 1  41 GLY H 0.000     . 2.800 2.829 2.811 2.861 0.061 14 0 "[    .    1    .    2]" 1 
       52 1   2 THR H 1  31 GLU H 0.000     . 4.000 3.966 3.588 4.010 0.010 12 0 "[    .    1    .    2]" 1 
       53 1  13 ASP H 1  14 ALA H 2.700 2.700 7.700 4.434 4.360 4.503     .  0 0 "[    .    1    .    2]" 1 
       54 1  33 ASP H 1  35 SER H 2.700 2.700 7.700 3.950 3.880 3.995     .  0 0 "[    .    1    .    2]" 1 
       55 1  73 ILE H 1  74 ASN H 2.700 2.700 6.700 3.891 2.586 4.487 0.114 15 0 "[    .    1    .    2]" 1 
       56 1 118 MET H 1 119 GLU H 2.700 2.700 6.700 2.945 2.730 4.481     .  0 0 "[    .    1    .    2]" 1 
       57 1 136 ASP H 1 137 VAL H 2.700 2.700 6.700 4.424 4.377 4.457     .  0 0 "[    .    1    .    2]" 1 
       58 1 130 SER H 1 137 VAL H 0.000     . 3.200 3.248 3.229 3.268 0.068  7 0 "[    .    1    .    2]" 1 
    stop_

save_


save_distance_constraint_statistics_2
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            2
    _Distance_constraint_stats_list.Constraint_count              170
    _Distance_constraint_stats_list.Viol_count                    315
    _Distance_constraint_stats_list.Viol_total                    1776.351
    _Distance_constraint_stats_list.Viol_max                      1.355
    _Distance_constraint_stats_list.Viol_rms                      0.1118
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0261
    _Distance_constraint_stats_list.Viol_average_violations_only  0.2820
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       .

    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   3 SER  0.000 0.000  .  0 "[    .    1    .    2]" 
       1   4 THR 22.119 1.188 10  6 "[    .  * +-*  . * *2]" 
       1   5 VAL  0.000 0.000  .  0 "[    .    1    .    2]" 
       1   6 THR  5.877 0.655 10  1 "[    .    +    .    2]" 
       1   7 GLY  0.000 0.000  .  0 "[    .    1    .    2]" 
       1   8 GLY  0.000 0.000  .  0 "[    .    1    .    2]" 
       1   9 TYR  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  10 ALA  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  12 SER  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  13 ASP  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  15 GLN  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  21 MET  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  22 GLY  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  23 GLY  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  24 PHE  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  25 ASN  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  26 LEU  0.517 0.107  5  0 "[    .    1    .    2]" 
       1  27 LYS  5.877 0.655 10  1 "[    .    +    .    2]" 
       1  28 TYR  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  29 ARG 22.119 1.188 10  6 "[    .  * +-*  . * *2]" 
       1  30 TYR 24.562 0.651 20 10 "[ ** -   ** *  * * *+]" 
       1  38 GLY 12.272 1.355 11  3 "[    .    1+-  .  * 2]" 
       1  39 VAL 24.562 0.651 20 10 "[ ** -   ** *  * * *+]" 
       1  40 ILE  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  41 GLY  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  42 SER  0.214 0.103 20  0 "[    .    1    .    2]" 
       1  43 PHE  0.517 0.107  5  0 "[    .    1    .    2]" 
       1  44 THR  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  45 TYR  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  46 THR  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  47 GLU  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  61 GLN  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  62 TYR  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  63 TYR  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  64 GLY  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  65 ILE  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  66 THR  0.214 0.103 20  0 "[    .    1    .    2]" 
       1  67 ALA  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  68 GLY  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  69 PRO  0.022 0.013  2  0 "[    .    1    .    2]" 
       1  70 ALA 12.272 1.355 11  3 "[    .    1+-  .  * 2]" 
       1  71 TYR  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  78 SER 16.570 1.175 11  8 "[* * .*   1+ * .-*  *]" 
       1  79 ILE  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  80 TYR  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  81 GLY  0.022 0.013  2  0 "[    .    1    .    2]" 
       1  82 VAL  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  83 VAL  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  84 GLY  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  85 VAL  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  86 GLY  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  87 TYR  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  88 GLY  0.050 0.043  5  0 "[    .    1    .    2]" 
       1  89 LYS  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 104 ASP  0.050 0.043  5  0 "[    .    1    .    2]" 
       1 106 GLY  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 107 PHE  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 108 SER  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 109 TYR  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 110 GLY  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 111 ALA  2.230 0.238 17  0 "[    .    1    .    2]" 
       1 112 GLY  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 113 LEU  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 114 GLN 16.570 1.175 11  8 "[* * .*   1+ * .-*  *]" 
       1 115 PHE  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 122 ALA  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 123 LEU  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 124 ASP  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 125 PHE  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 126 SER  4.384 0.398  8  0 "[    .    1    .    2]" 
       1 127 TYR  2.230 0.238 17  0 "[    .    1    .    2]" 
       1 129 GLN  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 130 SER  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 131 ARG  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 132 ILE  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 135 VAL  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 136 ASP  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 137 VAL  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 138 GLY  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 141 ILE  4.384 0.398  8  0 "[    .    1    .    2]" 
       1 142 ALA  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 143 GLY  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 144 VAL  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 145 GLY  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 146 TYR  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 148 PHE  0.000 0.000  .  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   4 THR H 1  29 ARG O 2.200     . 2.600 2.915 2.271 3.788 1.188 10  5 "[    .  - + *  . * *2]" 2 
         2 1   4 THR N 1  29 ARG O 3.100 2.600 3.500 3.827 3.241 4.531 1.031 10  6 "[    .  * +-*  . * *2]" 2 
         3 1   4 THR O 1  29 ARG H 2.200     . 2.600 2.796 2.376 3.482 0.882 10  3 "[    .    + *  . -  2]" 2 
         4 1   4 THR O 1  29 ARG N 3.100 2.600 3.500 3.599 3.124 4.358 0.858 10  2 "[    .    + -  .    2]" 2 
         5 1   6 THR H 1  27 LYS O 2.200     . 2.600 2.649 2.358 3.207 0.607 10  1 "[    .    +    .    2]" 2 
         6 1   6 THR N 1  27 LYS O 3.100 2.600 3.500 3.554 3.311 3.789 0.289 10  0 "[    .    1    .    2]" 2 
         7 1   6 THR O 1  27 LYS H 2.200     . 2.600 2.364 2.141 3.250 0.650 10  1 "[    .    +    .    2]" 2 
         8 1   6 THR O 1  27 LYS N 3.100 2.600 3.500 3.284 2.926 4.155 0.655 10  1 "[    .    +    .    2]" 2 
         9 1   8 GLY H 1  25 ASN O 2.200     . 2.600 2.239 2.169 2.305     .  0  0 "[    .    1    .    2]" 2 
        10 1   8 GLY N 1  25 ASN O 3.100 2.600 3.500 3.143 3.060 3.226     .  0  0 "[    .    1    .    2]" 2 
        11 1   8 GLY O 1  25 ASN H 2.200     . 2.600 2.172 2.082 2.226     .  0  0 "[    .    1    .    2]" 2 
        12 1   8 GLY O 1  25 ASN N 3.100 2.600 3.500 3.114 3.033 3.160     .  0  0 "[    .    1    .    2]" 2 
        13 1  10 ALA H 1  23 GLY O 2.200     . 2.600 2.173 2.101 2.239     .  0  0 "[    .    1    .    2]" 2 
        14 1  10 ALA N 1  23 GLY O 3.100 2.600 3.500 3.138 3.073 3.205     .  0  0 "[    .    1    .    2]" 2 
        15 1  10 ALA O 1  23 GLY H 2.200     . 2.600 2.211 2.157 2.277     .  0  0 "[    .    1    .    2]" 2 
        16 1  10 ALA O 1  23 GLY N 3.100 2.600 3.500 3.171 3.103 3.238     .  0  0 "[    .    1    .    2]" 2 
        17 1  12 SER H 1  21 MET O 2.200     . 2.600 2.072 2.028 2.130     .  0  0 "[    .    1    .    2]" 2 
        18 1  12 SER N 1  21 MET O 3.100 2.600 3.500 3.033 2.993 3.091     .  0  0 "[    .    1    .    2]" 2 
        19 1  12 SER O 1  21 MET H 2.200     . 2.600 2.251 2.198 2.310     .  0  0 "[    .    1    .    2]" 2 
        20 1  12 SER O 1  21 MET N 3.100 2.600 3.500 3.211 3.143 3.275     .  0  0 "[    .    1    .    2]" 2 
        21 1   3 SER H 1 148 PHE O 2.200     . 2.600 2.217 2.182 2.267     .  0  0 "[    .    1    .    2]" 2 
        22 1   3 SER N 1 148 PHE O 3.100 2.600 3.500 3.194 3.162 3.237     .  0  0 "[    .    1    .    2]" 2 
        23 1   3 SER O 1 148 PHE H 2.200     . 2.600 2.181 2.033 2.250     .  0  0 "[    .    1    .    2]" 2 
        24 1   3 SER O 1 148 PHE N 3.100 2.600 3.500 3.142 2.997 3.204     .  0  0 "[    .    1    .    2]" 2 
        25 1   5 VAL H 1 146 TYR O 2.200     . 2.600 2.231 2.154 2.326     .  0  0 "[    .    1    .    2]" 2 
        26 1   5 VAL N 1 146 TYR O 3.100 2.600 3.500 3.188 3.101 3.295     .  0  0 "[    .    1    .    2]" 2 
        27 1   5 VAL O 1 146 TYR H 2.200     . 2.600 2.103 2.042 2.168     .  0  0 "[    .    1    .    2]" 2 
        28 1   5 VAL O 1 146 TYR N 3.100 2.600 3.500 3.014 2.951 3.068     .  0  0 "[    .    1    .    2]" 2 
        29 1   7 GLY H 1 144 VAL O 2.200     . 2.600 2.164 2.106 2.231     .  0  0 "[    .    1    .    2]" 2 
        30 1   7 GLY N 1 144 VAL O 3.100 2.600 3.500 3.094 3.046 3.151     .  0  0 "[    .    1    .    2]" 2 
        31 1   7 GLY O 1 144 VAL H 2.200     . 2.600 2.124 2.059 2.182     .  0  0 "[    .    1    .    2]" 2 
        32 1   7 GLY O 1 144 VAL N 3.100 2.600 3.500 3.025 2.969 3.077     .  0  0 "[    .    1    .    2]" 2 
        33 1   9 TYR H 1 142 ALA O 2.200     . 2.600 2.219 2.149 2.279     .  0  0 "[    .    1    .    2]" 2 
        34 1   9 TYR N 1 142 ALA O 3.100 2.600 3.500 3.117 3.054 3.180     .  0  0 "[    .    1    .    2]" 2 
        35 1   9 TYR O 1 142 ALA H 2.200     . 2.600 2.403 2.322 2.510     .  0  0 "[    .    1    .    2]" 2 
        36 1   9 TYR O 1 142 ALA N 3.100 2.600 3.500 3.369 3.284 3.481     .  0  0 "[    .    1    .    2]" 2 
        37 1  13 ASP H 1 138 GLY O 2.200     . 2.600 2.088 1.999 2.172     .  0  0 "[    .    1    .    2]" 2 
        38 1  13 ASP N 1 138 GLY O 3.100 2.600 3.500 3.042 2.970 3.131     .  0  0 "[    .    1    .    2]" 2 
        39 1  13 ASP O 1 138 GLY H 2.200     . 2.600 2.153 1.984 2.236     .  0  0 "[    .    1    .    2]" 2 
        40 1  13 ASP O 1 138 GLY N 3.100 2.600 3.500 3.111 2.944 3.198     .  0  0 "[    .    1    .    2]" 2 
        41 1  15 GLN H 1 136 ASP O 2.200     . 2.600 2.028 1.954 2.109     .  0  0 "[    .    1    .    2]" 2 
        42 1  15 GLN N 1 136 ASP O 3.100 2.600 3.500 2.919 2.809 3.022     .  0  0 "[    .    1    .    2]" 2 
        43 1  15 GLN O 1 136 ASP H 2.200     . 2.600 2.467 2.399 2.525     .  0  0 "[    .    1    .    2]" 2 
        44 1  15 GLN O 1 136 ASP N 3.100 2.600 3.500 3.419 3.352 3.480     .  0  0 "[    .    1    .    2]" 2 
        45 1  22 GLY H 1  47 GLU O 2.200     . 2.600 2.333 2.224 2.428     .  0  0 "[    .    1    .    2]" 2 
        46 1  22 GLY N 1  47 GLU O 3.100 2.600 3.500 3.305 3.195 3.401     .  0  0 "[    .    1    .    2]" 2 
        47 1  22 GLY O 1  47 GLU H 2.200     . 2.600 2.050 1.977 2.108     .  0  0 "[    .    1    .    2]" 2 
        48 1  22 GLY O 1  47 GLU N 3.100 2.600 3.500 2.992 2.917 3.030     .  0  0 "[    .    1    .    2]" 2 
        49 1  24 PHE H 1  45 TYR O 2.200     . 2.600 2.220 2.147 2.282     .  0  0 "[    .    1    .    2]" 2 
        50 1  24 PHE N 1  45 TYR O 3.100 2.600 3.500 3.082 3.018 3.138     .  0  0 "[    .    1    .    2]" 2 
        51 1  24 PHE O 1  45 TYR H 2.200     . 2.600 2.234 2.136 2.304     .  0  0 "[    .    1    .    2]" 2 
        52 1  24 PHE O 1  45 TYR N 3.100 2.600 3.500 3.188 3.094 3.249     .  0  0 "[    .    1    .    2]" 2 
        53 1  26 LEU H 1  43 PHE O 2.200     . 2.600 2.482 2.243 2.685 0.085  5  0 "[    .    1    .    2]" 2 
        54 1  26 LEU N 1  43 PHE O 3.100 2.600 3.500 3.396 3.184 3.607 0.107  5  0 "[    .    1    .    2]" 2 
        55 1  26 LEU O 1  43 PHE H 2.200     . 2.600 2.342 2.152 2.659 0.059  4  0 "[    .    1    .    2]" 2 
        56 1  26 LEU O 1  43 PHE N 3.100 2.600 3.500 3.273 3.099 3.563 0.063  4  0 "[    .    1    .    2]" 2 
        57 1  28 TYR H 1  41 GLY O 2.200     . 2.600 2.243 2.147 2.317     .  0  0 "[    .    1    .    2]" 2 
        58 1  28 TYR N 1  41 GLY O 3.100 2.600 3.500 3.177 3.079 3.252     .  0  0 "[    .    1    .    2]" 2 
        59 1  28 TYR O 1  41 GLY H 2.200     . 2.600 2.306 2.212 2.385     .  0  0 "[    .    1    .    2]" 2 
        60 1  28 TYR O 1  41 GLY N 3.100 2.600 3.500 3.255 3.153 3.340     .  0  0 "[    .    1    .    2]" 2 
        61 1  30 TYR H 1  39 VAL O 2.200     . 2.600 2.724 2.373 3.013 0.413 12  0 "[    .    1    .    2]" 2 
        62 1  30 TYR N 1  39 VAL O 3.100 2.600 3.500 3.601 3.292 3.807 0.307  3  0 "[    .    1    .    2]" 2 
        63 1  30 TYR O 1  39 VAL H 2.200     . 2.600 3.076 2.832 3.251 0.651 20 10 "[ ** -   ** *  * * *+]" 2 
        64 1  30 TYR O 1  39 VAL N 3.100 2.600 3.500 3.981 3.791 4.139 0.639  9  8 "[ -* *   +1 *  * *  *]" 2 
        65 1  38 GLY H 1  70 ALA O 2.200     . 2.600 2.931 2.612 3.942 1.342 11  3 "[    .    1+*  .  - 2]" 2 
        66 1  38 GLY N 1  70 ALA O 3.100 2.600 3.500 3.765 3.287 4.855 1.355 11  3 "[    .    1+-  .  * 2]" 2 
        67 1  38 GLY O 1  70 ALA H 2.200     . 2.600 2.140 2.134 2.144     .  0  0 "[    .    1    .    2]" 2 
        68 1  38 GLY O 1  70 ALA N 3.100 2.600 3.500 2.679 2.643 2.753     .  0  0 "[    .    1    .    2]" 2 
        69 1  40 ILE H 1  68 GLY O 2.200     . 2.600 2.254 2.190 2.338     .  0  0 "[    .    1    .    2]" 2 
        70 1  40 ILE N 1  68 GLY O 3.100 2.600 3.500 3.194 3.120 3.276     .  0  0 "[    .    1    .    2]" 2 
        71 1  40 ILE O 1  68 GLY H 2.200     . 2.600 2.304 2.229 2.389     .  0  0 "[    .    1    .    2]" 2 
        72 1  40 ILE O 1  68 GLY N 3.100 2.600 3.500 3.178 3.085 3.253     .  0  0 "[    .    1    .    2]" 2 
        73 1  42 SER H 1  66 THR O 2.200     . 2.600 2.385 2.152 2.701 0.101 20  0 "[    .    1    .    2]" 2 
        74 1  42 SER N 1  66 THR O 3.100 2.600 3.500 3.332 3.109 3.603 0.103 20  0 "[    .    1    .    2]" 2 
        75 1  42 SER O 1  66 THR H 2.200     . 2.600 2.397 2.153 2.600 0.000 20  0 "[    .    1    .    2]" 2 
        76 1  42 SER O 1  66 THR N 3.100 2.600 3.500 3.319 3.073 3.479     .  0  0 "[    .    1    .    2]" 2 
        77 1  44 THR H 1  64 GLY O 2.200     . 2.600 2.189 2.050 2.290     .  0  0 "[    .    1    .    2]" 2 
        78 1  44 THR N 1  64 GLY O 3.100 2.600 3.500 3.147 3.009 3.255     .  0  0 "[    .    1    .    2]" 2 
        79 1  44 THR O 1  64 GLY H 2.200     . 2.600 2.205 2.141 2.288     .  0  0 "[    .    1    .    2]" 2 
        80 1  44 THR O 1  64 GLY N 3.100 2.600 3.500 3.126 3.054 3.215     .  0  0 "[    .    1    .    2]" 2 
        81 1  46 THR H 1  62 TYR O 2.200     . 2.600 2.140 2.017 2.269     .  0  0 "[    .    1    .    2]" 2 
        82 1  46 THR N 1  62 TYR O 3.100 2.600 3.500 3.107 2.980 3.234     .  0  0 "[    .    1    .    2]" 2 
        83 1  46 THR O 1  62 TYR H 2.200     . 2.600 2.313 2.245 2.377     .  0  0 "[    .    1    .    2]" 2 
        84 1  46 THR O 1  62 TYR N 3.100 2.600 3.500 3.259 3.164 3.344     .  0  0 "[    .    1    .    2]" 2 
        85 1  61 GLN H 1  89 LYS O 2.200     . 2.600 2.266 2.137 2.420     .  0  0 "[    .    1    .    2]" 2 
        86 1  61 GLN N 1  89 LYS O 3.100 2.600 3.500 3.216 3.085 3.370     .  0  0 "[    .    1    .    2]" 2 
        87 1  61 GLN O 1  89 LYS H 2.200     . 2.600 2.164 2.068 2.232     .  0  0 "[    .    1    .    2]" 2 
        88 1  61 GLN O 1  89 LYS N 3.100 2.600 3.500 3.100 2.999 3.176     .  0  0 "[    .    1    .    2]" 2 
        89 1  63 TYR H 1  87 TYR O 2.200     . 2.600 2.186 2.116 2.252     .  0  0 "[    .    1    .    2]" 2 
        90 1  63 TYR N 1  87 TYR O 3.100 2.600 3.500 3.124 3.060 3.190     .  0  0 "[    .    1    .    2]" 2 
        91 1  63 TYR O 1  87 TYR H 2.200     . 2.600 2.093 2.035 2.155     .  0  0 "[    .    1    .    2]" 2 
        92 1  63 TYR O 1  87 TYR N 3.100 2.600 3.500 3.023 2.978 3.090     .  0  0 "[    .    1    .    2]" 2 
        93 1  65 ILE H 1  85 VAL O 2.200     . 2.600 2.150 2.089 2.201     .  0  0 "[    .    1    .    2]" 2 
        94 1  65 ILE N 1  85 VAL O 3.100 2.600 3.500 3.098 3.019 3.155     .  0  0 "[    .    1    .    2]" 2 
        95 1  65 ILE O 1  85 VAL H 2.200     . 2.600 2.208 2.155 2.258     .  0  0 "[    .    1    .    2]" 2 
        96 1  65 ILE O 1  85 VAL N 3.100 2.600 3.500 3.088 3.036 3.145     .  0  0 "[    .    1    .    2]" 2 
        97 1  67 ALA H 1  83 VAL O 2.200     . 2.600 2.144 2.086 2.203     .  0  0 "[    .    1    .    2]" 2 
        98 1  67 ALA N 1  83 VAL O 3.100 2.600 3.500 3.082 3.022 3.135     .  0  0 "[    .    1    .    2]" 2 
        99 1  67 ALA O 1  83 VAL H 2.200     . 2.600 2.220 2.164 2.259     .  0  0 "[    .    1    .    2]" 2 
       100 1  67 ALA O 1  83 VAL N 3.100 2.600 3.500 3.172 3.128 3.224     .  0  0 "[    .    1    .    2]" 2 
       101 1  69 PRO O 1  81 GLY H 2.200     . 2.600 2.478 2.386 2.559     .  0  0 "[    .    1    .    2]" 2 
       102 1  69 PRO O 1  81 GLY N 3.100 2.600 3.500 3.413 3.304 3.513 0.013  2  0 "[    .    1    .    2]" 2 
       103 1  71 TYR H 1  79 ILE O 2.200     . 2.600 1.963 1.846 2.132     .  0  0 "[    .    1    .    2]" 2 
       104 1  71 TYR N 1  79 ILE O 3.100 2.600 3.500 2.915 2.791 3.076     .  0  0 "[    .    1    .    2]" 2 
       105 1  71 TYR O 1  79 ILE H 2.200     . 2.600 2.264 2.181 2.400     .  0  0 "[    .    1    .    2]" 2 
       106 1  71 TYR O 1  79 ILE N 3.100 2.600 3.500 3.221 3.124 3.364     .  0  0 "[    .    1    .    2]" 2 
       107 1  88 GLY H 1 104 ASP O 2.200     . 2.600 2.070 1.977 2.197     .  0  0 "[    .    1    .    2]" 2 
       108 1  88 GLY N 1 104 ASP O 3.100 2.600 3.500 3.008 2.917 3.130     .  0  0 "[    .    1    .    2]" 2 
       109 1  88 GLY O 1 104 ASP H 2.200     . 2.600 2.425 2.287 2.593     .  0  0 "[    .    1    .    2]" 2 
       110 1  88 GLY O 1 104 ASP N 3.100 2.600 3.500 3.387 3.253 3.543 0.043  5  0 "[    .    1    .    2]" 2 
       111 1  86 GLY H 1 106 GLY O 2.200     . 2.600 2.169 2.075 2.279     .  0  0 "[    .    1    .    2]" 2 
       112 1  86 GLY N 1 106 GLY O 3.100 2.600 3.500 3.130 3.036 3.243     .  0  0 "[    .    1    .    2]" 2 
       113 1  86 GLY O 1 106 GLY H 2.200     . 2.600 2.177 2.075 2.243     .  0  0 "[    .    1    .    2]" 2 
       114 1  86 GLY O 1 106 GLY N 3.100 2.600 3.500 3.091 2.987 3.169     .  0  0 "[    .    1    .    2]" 2 
       115 1  84 GLY H 1 108 SER O 2.200     . 2.600 2.164 2.092 2.276     .  0  0 "[    .    1    .    2]" 2 
       116 1  84 GLY N 1 108 SER O 3.100 2.600 3.500 3.044 2.981 3.150     .  0  0 "[    .    1    .    2]" 2 
       117 1  84 GLY O 1 108 SER H 2.200     . 2.600 2.173 2.140 2.223     .  0  0 "[    .    1    .    2]" 2 
       118 1  84 GLY O 1 108 SER N 3.100 2.600 3.500 3.126 3.088 3.176     .  0  0 "[    .    1    .    2]" 2 
       119 1  82 VAL H 1 110 GLY O 2.200     . 2.600 2.020 1.961 2.061     .  0  0 "[    .    1    .    2]" 2 
       120 1  82 VAL N 1 110 GLY O 3.100 2.600 3.500 2.970 2.913 3.009     .  0  0 "[    .    1    .    2]" 2 
       121 1  82 VAL O 1 110 GLY H 2.200     . 2.600 2.255 2.199 2.298     .  0  0 "[    .    1    .    2]" 2 
       122 1  82 VAL O 1 110 GLY N 3.100 2.600 3.500 3.163 3.086 3.228     .  0  0 "[    .    1    .    2]" 2 
       123 1  80 TYR H 1 112 GLY O 2.200     . 2.600 2.237 2.125 2.315     .  0  0 "[    .    1    .    2]" 2 
       124 1  80 TYR N 1 112 GLY O 3.100 2.600 3.500 3.173 3.079 3.247     .  0  0 "[    .    1    .    2]" 2 
       125 1  80 TYR O 1 112 GLY H 2.200     . 2.600 2.118 2.083 2.183     .  0  0 "[    .    1    .    2]" 2 
       126 1  80 TYR O 1 112 GLY N 3.100 2.600 3.500 3.048 3.015 3.107     .  0  0 "[    .    1    .    2]" 2 
       127 1  78 SER H 1 114 GLN O 2.200     . 2.600 2.993 2.504 3.775 1.175 11  6 "[* * .    1+ * . -  *]" 2 
       128 1  78 SER N 1 114 GLN O 3.100 2.600 3.500 3.926 3.461 4.635 1.135 11  8 "[* * .*   1+ * .-*  *]" 2 
       129 1  78 SER O 1 114 GLN H 2.200     . 2.600 2.322 2.148 2.619 0.019 13  0 "[    .    1    .    2]" 2 
       130 1  78 SER O 1 114 GLN N 3.100 2.600 3.500 3.254 2.983 3.533 0.033 13  0 "[    .    1    .    2]" 2 
       131 1 107 PHE H 1 131 ARG O 2.200     . 2.600 2.362 2.283 2.415     .  0  0 "[    .    1    .    2]" 2 
       132 1 107 PHE N 1 131 ARG O 3.100 2.600 3.500 3.269 3.200 3.362     .  0  0 "[    .    1    .    2]" 2 
       133 1 107 PHE O 1 131 ARG H 2.200     . 2.600 2.155 2.106 2.198     .  0  0 "[    .    1    .    2]" 2 
       134 1 107 PHE O 1 131 ARG N 3.100 2.600 3.500 3.099 3.053 3.152     .  0  0 "[    .    1    .    2]" 2 
       135 1 109 TYR H 1 129 GLN O 2.200     . 2.600 2.203 2.145 2.257     .  0  0 "[    .    1    .    2]" 2 
       136 1 109 TYR N 1 129 GLN O 3.100 2.600 3.500 3.171 3.116 3.211     .  0  0 "[    .    1    .    2]" 2 
       137 1 109 TYR O 1 129 GLN H 2.200     . 2.600 2.156 2.089 2.200     .  0  0 "[    .    1    .    2]" 2 
       138 1 109 TYR O 1 129 GLN N 3.100 2.600 3.500 3.132 3.067 3.180     .  0  0 "[    .    1    .    2]" 2 
       139 1 111 ALA H 1 127 TYR O 2.200     . 2.600 2.650 2.489 2.838 0.238 17  0 "[    .    1    .    2]" 2 
       140 1 111 ALA N 1 127 TYR O 3.100 2.600 3.500 3.511 3.366 3.734 0.234 17  0 "[    .    1    .    2]" 2 
       141 1 111 ALA O 1 127 TYR H 2.200     . 2.600 2.240 2.152 2.511     .  0  0 "[    .    1    .    2]" 2 
       142 1 111 ALA O 1 127 TYR N 3.100 2.600 3.500 3.127 3.015 3.359     .  0  0 "[    .    1    .    2]" 2 
       143 1 113 LEU H 1 125 PHE O 2.200     . 2.600 2.080 2.020 2.166     .  0  0 "[    .    1    .    2]" 2 
       144 1 113 LEU N 1 125 PHE O 3.100 2.600 3.500 2.994 2.922 3.057     .  0  0 "[    .    1    .    2]" 2 
       145 1 113 LEU O 1 125 PHE H 2.200     . 2.600 2.289 2.231 2.370     .  0  0 "[    .    1    .    2]" 2 
       146 1 113 LEU O 1 125 PHE N 3.100 2.600 3.500 3.245 3.190 3.326     .  0  0 "[    .    1    .    2]" 2 
       147 1 115 PHE H 1 123 LEU O 2.200     . 2.600 2.159 2.088 2.289     .  0  0 "[    .    1    .    2]" 2 
       148 1 115 PHE N 1 123 LEU O 3.100 2.600 3.500 3.106 3.034 3.223     .  0  0 "[    .    1    .    2]" 2 
       149 1 115 PHE O 1 123 LEU H 2.200     . 2.600 2.165 2.034 2.272     .  0  0 "[    .    1    .    2]" 2 
       150 1 115 PHE O 1 123 LEU N 3.100 2.600 3.500 3.118 2.967 3.230     .  0  0 "[    .    1    .    2]" 2 
       151 1 122 ALA H 1 145 GLY O 2.200     . 2.600 2.196 2.132 2.264     .  0  0 "[    .    1    .    2]" 2 
       152 1 122 ALA N 1 145 GLY O 3.100 2.600 3.500 3.158 3.094 3.229     .  0  0 "[    .    1    .    2]" 2 
       153 1 122 ALA O 1 145 GLY H 2.200     . 2.600 2.133 2.057 2.184     .  0  0 "[    .    1    .    2]" 2 
       154 1 122 ALA O 1 145 GLY N 3.100 2.600 3.500 3.051 2.961 3.100     .  0  0 "[    .    1    .    2]" 2 
       155 1 124 ASP H 1 143 GLY O 2.200     . 2.600 2.124 2.078 2.193     .  0  0 "[    .    1    .    2]" 2 
       156 1 124 ASP N 1 143 GLY O 3.100 2.600 3.500 3.083 3.034 3.153     .  0  0 "[    .    1    .    2]" 2 
       157 1 124 ASP O 1 143 GLY H 2.200     . 2.600 2.286 2.186 2.381     .  0  0 "[    .    1    .    2]" 2 
       158 1 124 ASP O 1 143 GLY N 3.100 2.600 3.500 3.204 3.100 3.318     .  0  0 "[    .    1    .    2]" 2 
       159 1 126 SER H 1 141 ILE O 2.200     . 2.600 2.390 2.153 2.723 0.123  8  0 "[    .    1    .    2]" 2 
       160 1 126 SER N 1 141 ILE O 3.100 2.600 3.500 3.330 3.080 3.648 0.148  8  0 "[    .    1    .    2]" 2 
       161 1 126 SER O 1 141 ILE H 2.200     . 2.600 2.579 2.154 2.934 0.334  8  0 "[    .    1    .    2]" 2 
       162 1 126 SER O 1 141 ILE N 3.100 2.600 3.500 3.536 3.060 3.898 0.398  8  0 "[    .    1    .    2]" 2 
       163 1 130 SER H 1 137 VAL O 2.200     . 2.600 2.146 2.100 2.191     .  0  0 "[    .    1    .    2]" 2 
       164 1 130 SER N 1 137 VAL O 3.100 2.600 3.500 3.099 3.041 3.151     .  0  0 "[    .    1    .    2]" 2 
       165 1 130 SER O 1 137 VAL H 2.200     . 2.600 2.177 2.076 2.229     .  0  0 "[    .    1    .    2]" 2 
       166 1 130 SER O 1 137 VAL N 3.100 2.600 3.500 3.143 3.028 3.200     .  0  0 "[    .    1    .    2]" 2 
       167 1 132 ILE H 1 135 VAL O 2.200     . 2.600 2.229 2.135 2.427     .  0  0 "[    .    1    .    2]" 2 
       168 1 132 ILE N 1 135 VAL O 3.100 2.600 3.500 3.201 3.104 3.412     .  0  0 "[    .    1    .    2]" 2 
       169 1 132 ILE O 1 135 VAL H 2.200     . 2.600 2.112 1.895 2.219     .  0  0 "[    .    1    .    2]" 2 
       170 1 132 ILE O 1 135 VAL N 3.100 2.600 3.500 3.034 2.861 3.144     .  0  0 "[    .    1    .    2]" 2 
    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, March 29, 2024 12:54:50 PM GMT (wattos1)