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
573530 2mfq 19562 cing 4-filtered-FRED Wattos check violation distance


data_2mfq


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              96
    _Distance_constraint_stats_list.Viol_count                    283
    _Distance_constraint_stats_list.Viol_total                    645.851
    _Distance_constraint_stats_list.Viol_max                      1.525
    _Distance_constraint_stats_list.Viol_rms                      0.0982
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0168
    _Distance_constraint_stats_list.Viol_average_violations_only  0.1141
    _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  12 ASN  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  14 PHE  0.763 0.093  6  0 "[    .    1    .    2]" 
       1  16 VAL  0.528 0.062  6  0 "[    .    1    .    2]" 
       1  17 ILE  0.624 0.105 19  0 "[    .    1    .    2]" 
       1  18 ASN  3.107 0.294  7  0 "[    .    1    .    2]" 
       1  19 VAL  3.279 0.154 17  0 "[    .    1    .    2]" 
       1  25 GLU 15.955 1.525  6 15 "[****-+** **   **** *]" 
       1  26 LEU  0.028 0.028  2  0 "[    .    1    .    2]" 
       1  27 GLY  3.079 0.294  7  0 "[    .    1    .    2]" 
       1  29 GLY  0.528 0.062  6  0 "[    .    1    .    2]" 
       1  30 ILE  1.129 0.118 15  0 "[    .    1    .    2]" 
       1  31 MET  0.763 0.093  6  0 "[    .    1    .    2]" 
       1  32 GLU  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  33 LEU  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  34 THR  0.329 0.042  1  0 "[    .    1    .    2]" 
       1  36 THR  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  37 GLU  0.329 0.042  1  0 "[    .    1    .    2]" 
       1  38 LEU  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  39 ILE  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  40 LEU  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  41 TYR  1.129 0.118 15  0 "[    .    1    .    2]" 
       1  42 THR  0.417 0.077 19  0 "[    .    1    .    2]" 
       1  46 ASP  0.417 0.077 19  0 "[    .    1    .    2]" 
       1  48 VAL  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  50 TRP  0.004 0.004 17  0 "[    .    1    .    2]" 
       1  52 TYR  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  57 ARG  3.584 0.196  5  0 "[    .    1    .    2]" 
       1  58 TYR  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  59 GLY  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  61 ASP  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  63 ASN  2.290 0.159  8  0 "[    .    1    .    2]" 
       1  64 LEU  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  65 PHE  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  66 SER  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  67 PHE  0.265 0.068  6  0 "[    .    1    .    2]" 
       1  68 GLU  3.584 0.196  5  0 "[    .    1    .    2]" 
       1  69 SER  0.004 0.004 17  0 "[    .    1    .    2]" 
       1  78 GLY  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  80 PHE  0.265 0.068  6  0 "[    .    1    .    2]" 
       1  81 ALA  3.279 0.154 17  0 "[    .    1    .    2]" 
       1  82 PHE  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  83 LYS 16.579 1.525  6 15 "[****-+** **   **** *]" 
       1  84 CYS  2.290 0.159  8  0 "[    .    1    .    2]" 
       1  86 ARG  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  87 ALA  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  88 GLU  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  89 GLU  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  90 LEU  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  91 PHE  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  92 ASN  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  93 MET  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  94 LEU  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  95 GLN  0.020 0.020 14  0 "[    .    1    .    2]" 
       1  96 GLU  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  97 ILE  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  98 MET  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  99 GLN  0.020 0.020 14  0 "[    .    1    .    2]" 
       1 100 ASN  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 101 ASN  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 12 ASN O   1  33 LEU H   1.800     . 2.300 1.815 1.685 2.159     .  0  0 "[    .    1    .    2]" 1 
        2 1 12 ASN O   1  33 LEU N   2.800 2.300 3.300 2.767 2.635 3.050     .  0  0 "[    .    1    .    2]" 1 
        3 1 14 PHE H   1  31 MET O   1.800     . 2.300 2.326 2.131 2.393 0.093  6  0 "[    .    1    .    2]" 1 
        4 1 14 PHE N   1  31 MET O   2.800 2.300 3.300 3.282 3.113 3.314 0.014 17  0 "[    .    1    .    2]" 1 
        5 1 14 PHE O   1  31 MET H   1.800     . 2.300 1.636 1.559 1.856     .  0  0 "[    .    1    .    2]" 1 
        6 1 14 PHE O   1  31 MET N   2.800 2.300 3.300 2.541 2.500 2.608     .  0  0 "[    .    1    .    2]" 1 
        7 1 16 VAL H   1  29 GLY O   1.800     . 2.400 2.112 1.802 2.377     .  0  0 "[    .    1    .    2]" 1 
        8 1 16 VAL N   1  29 GLY O   2.800 2.300 3.300 2.711 2.594 2.934     .  0  0 "[    .    1    .    2]" 1 
        9 1 16 VAL O   1  29 GLY H   1.800     . 2.300 2.309 2.061 2.362 0.062  6  0 "[    .    1    .    2]" 1 
       10 1 16 VAL O   1  29 GLY N   2.800 2.300 3.300 2.872 2.718 3.063     .  0  0 "[    .    1    .    2]" 1 
       11 1 17 ILE H   1  83 LYS O   1.800     . 2.300 2.324 2.159 2.405 0.105 19  0 "[    .    1    .    2]" 1 
       12 1 17 ILE N   1  83 LYS O   2.800 2.300 3.300 2.908 2.872 2.950     .  0  0 "[    .    1    .    2]" 1 
       13 1 17 ILE O   1  83 LYS H   1.800     . 2.300 1.628 1.554 1.709     .  0  0 "[    .    1    .    2]" 1 
       14 1 17 ILE O   1  83 LYS N   2.800 2.300 3.300 2.510 2.470 2.549     .  0  0 "[    .    1    .    2]" 1 
       15 1 18 ASN H   1  27 GLY O   1.900     . 2.500 2.428 2.077 2.578 0.078 12  0 "[    .    1    .    2]" 1 
       16 1 18 ASN N   1  27 GLY O   2.800 2.300 3.300 3.133 2.744 3.336 0.036  1  0 "[    .    1    .    2]" 1 
       17 1 18 ASN O   1  26 LEU H   1.900     . 2.400 2.110 1.834 2.428 0.028  2  0 "[    .    1    .    2]" 1 
       18 1 18 ASN O   1  26 LEU N   2.800 2.300 3.300 2.847 2.625 3.113     .  0  0 "[    .    1    .    2]" 1 
       19 1 18 ASN O   1  27 GLY N   2.800 2.300 3.500 3.567 3.038 3.794 0.294  7  0 "[    .    1    .    2]" 1 
       20 1 19 VAL H   1  81 ALA O   1.800     . 2.300 2.411 2.356 2.454 0.154 17  0 "[    .    1    .    2]" 1 
       21 1 19 VAL N   1  81 ALA O   2.800 2.300 3.300 3.353 3.304 3.392 0.092 17  0 "[    .    1    .    2]" 1 
       22 1 25 GLU OE1 1  83 LYS NZ  2.900 2.400 3.700 4.362 2.714 5.225 1.525  6 15 "[****-+** **   **** *]" 1 
       23 1 30 ILE H   1  41 TYR O   1.800     . 2.300 1.898 1.808 2.036     .  0  0 "[    .    1    .    2]" 1 
       24 1 30 ILE N   1  41 TYR O   2.800 2.300 3.300 2.685 2.618 2.748     .  0  0 "[    .    1    .    2]" 1 
       25 1 30 ILE O   1  41 TYR H   1.800     . 2.300 2.354 2.257 2.418 0.118 15  0 "[    .    1    .    2]" 1 
       26 1 30 ILE O   1  41 TYR N   2.800 2.300 3.300 2.995 2.894 3.066     .  0  0 "[    .    1    .    2]" 1 
       27 1 32 GLU H   1  39 ILE O   1.800     . 2.300 1.777 1.698 1.845     .  0  0 "[    .    1    .    2]" 1 
       28 1 32 GLU N   1  39 ILE O   2.800 2.300 3.300 2.713 2.645 2.770     .  0  0 "[    .    1    .    2]" 1 
       29 1 32 GLU O   1  39 ILE H   1.800     . 2.300 1.899 1.779 2.056     .  0  0 "[    .    1    .    2]" 1 
       30 1 32 GLU O   1  39 ILE N   2.800 2.300 3.300 2.817 2.725 2.971     .  0  0 "[    .    1    .    2]" 1 
       31 1 34 THR H   1  37 GLU O   1.900     . 2.500 2.472 2.241 2.542 0.042  1  0 "[    .    1    .    2]" 1 
       32 1 34 THR N   1  37 GLU O   2.800 2.300 3.400 3.310 3.004 3.424 0.024  3  0 "[    .    1    .    2]" 1 
       33 1 34 THR O   1  52 TYR OH  2.800 2.300 3.300 2.973 2.867 3.067     .  0  0 "[    .    1    .    2]" 1 
       34 1 36 THR O   1  52 TYR H   2.000     . 2.700 1.712 1.646 1.754     .  0  0 "[    .    1    .    2]" 1 
       35 1 36 THR O   1  52 TYR N   3.000 2.500 3.700 2.569 2.510 2.604     .  0  0 "[    .    1    .    2]" 1 
       36 1 38 LEU H   1  50 TRP O   1.800     . 2.300 1.663 1.619 1.728     .  0  0 "[    .    1    .    2]" 1 
       37 1 38 LEU N   1  50 TRP O   2.800 2.300 3.300 2.634 2.598 2.675     .  0  0 "[    .    1    .    2]" 1 
       38 1 38 LEU O   1  50 TRP H   1.800     . 2.300 1.947 1.850 2.123     .  0  0 "[    .    1    .    2]" 1 
       39 1 38 LEU O   1  50 TRP N   2.800 2.300 3.300 2.722 2.639 2.815     .  0  0 "[    .    1    .    2]" 1 
       40 1 40 LEU H   1  48 VAL O   1.800     . 2.300 2.043 1.945 2.261     .  0  0 "[    .    1    .    2]" 1 
       41 1 40 LEU N   1  48 VAL O   2.800 2.300 3.300 2.619 2.554 2.789     .  0  0 "[    .    1    .    2]" 1 
       42 1 40 LEU O   1  48 VAL H   1.800     . 2.300 1.777 1.706 1.829     .  0  0 "[    .    1    .    2]" 1 
       43 1 40 LEU O   1  48 VAL N   2.800 2.300 3.300 2.569 2.528 2.612     .  0  0 "[    .    1    .    2]" 1 
       44 1 42 THR H   1  46 ASP O   1.900     . 2.500 2.448 1.895 2.577 0.077 19  0 "[    .    1    .    2]" 1 
       45 1 42 THR N   1  46 ASP O   2.900 2.400 3.500 3.369 2.765 3.511 0.011 19  0 "[    .    1    .    2]" 1 
       46 1 50 TRP NE1 1  69 SER OG  2.800 2.300 3.500 3.241 2.982 3.504 0.004 17  0 "[    .    1    .    2]" 1 
       47 1 57 ARG H   1  68 GLU O   1.800     . 2.600 2.691 2.620 2.762 0.162  9  0 "[    .    1    .    2]" 1 
       48 1 57 ARG N   1  68 GLU O   2.800 2.300 3.500 3.561 3.499 3.630 0.130  9  0 "[    .    1    .    2]" 1 
       49 1 57 ARG NE  1  68 GLU OE1 2.800 2.300 3.700 3.168 2.563 3.896 0.196  5  0 "[    .    1    .    2]" 1 
       50 1 57 ARG O   1  68 GLU H   1.800     . 2.300 1.687 1.602 1.837     .  0  0 "[    .    1    .    2]" 1 
       51 1 57 ARG O   1  68 GLU N   2.800 2.300 3.300 2.522 2.491 2.584     .  0  0 "[    .    1    .    2]" 1 
       52 1 58 TYR OH  1  98 MET SD  2.800 2.300 3.500 3.035 2.985 3.099     .  0  0 "[    .    1    .    2]" 1 
       53 1 59 GLY H   1  66 SER O   1.800     . 2.300 1.777 1.751 1.808     .  0  0 "[    .    1    .    2]" 1 
       54 1 59 GLY N   1  66 SER O   2.800 2.300 3.300 2.695 2.672 2.719     .  0  0 "[    .    1    .    2]" 1 
       55 1 59 GLY O   1  66 SER H   1.900     . 2.600 2.050 1.990 2.110     .  0  0 "[    .    1    .    2]" 1 
       56 1 59 GLY O   1  66 SER N   2.800 2.300 3.300 2.990 2.933 3.051     .  0  0 "[    .    1    .    2]" 1 
       57 1 61 ASP H   1  64 LEU O   1.800     . 2.300 1.654 1.620 1.681     .  0  0 "[    .    1    .    2]" 1 
       58 1 61 ASP N   1  64 LEU O   2.800 2.300 3.300 2.594 2.549 2.640     .  0  0 "[    .    1    .    2]" 1 
       59 1 61 ASP O   1  64 LEU H   1.800     . 2.300 1.818 1.549 2.173     .  0  0 "[    .    1    .    2]" 1 
       60 1 61 ASP O   1  64 LEU N   2.800 2.300 3.300 2.637 2.493 2.806     .  0  0 "[    .    1    .    2]" 1 
       61 1 63 ASN O   1  84 CYS H   1.800     . 2.400 2.514 2.464 2.559 0.159  8  0 "[    .    1    .    2]" 1 
       62 1 63 ASN O   1  84 CYS N   2.800 2.300 3.300 2.760 2.711 2.813     .  0  0 "[    .    1    .    2]" 1 
       63 1 65 PHE H   1  82 PHE O   1.800     . 2.300 1.701 1.671 1.768     .  0  0 "[    .    1    .    2]" 1 
       64 1 65 PHE N   1  82 PHE O   2.800 2.300 3.300 2.614 2.595 2.640     .  0  0 "[    .    1    .    2]" 1 
       65 1 65 PHE O   1  82 PHE H   1.800     . 2.300 1.625 1.599 1.654     .  0  0 "[    .    1    .    2]" 1 
       66 1 65 PHE O   1  82 PHE N   2.800 2.300 3.300 2.606 2.578 2.637     .  0  0 "[    .    1    .    2]" 1 
       67 1 67 PHE H   1  80 PHE O   1.900     . 2.500 2.336 1.802 2.568 0.068  6  0 "[    .    1    .    2]" 1 
       68 1 67 PHE N   1  80 PHE O   2.900 2.400 3.500 3.228 2.752 3.423     .  0  0 "[    .    1    .    2]" 1 
       69 1 67 PHE O   1  80 PHE H   1.800     . 2.300 1.915 1.740 2.014     .  0  0 "[    .    1    .    2]" 1 
       70 1 67 PHE O   1  80 PHE N   2.800 2.300 3.300 2.874 2.715 2.959     .  0  0 "[    .    1    .    2]" 1 
       71 1 69 SER H   1  78 GLY O   1.800     . 2.400 1.943 1.741 2.173     .  0  0 "[    .    1    .    2]" 1 
       72 1 69 SER N   1  78 GLY O   2.800 2.300 3.300 2.847 2.678 3.065     .  0  0 "[    .    1    .    2]" 1 
       73 1 86 ARG O   1  90 LEU H   1.800     . 2.300 1.528 1.488 1.555     .  0  0 "[    .    1    .    2]" 1 
       74 1 86 ARG O   1  90 LEU N   2.800 2.300 3.300 2.483 2.463 2.512     .  0  0 "[    .    1    .    2]" 1 
       75 1 87 ALA O   1  91 PHE H   1.800     . 2.300 1.633 1.598 1.690     .  0  0 "[    .    1    .    2]" 1 
       76 1 87 ALA O   1  91 PHE N   2.800 2.300 3.300 2.555 2.524 2.593     .  0  0 "[    .    1    .    2]" 1 
       77 1 88 GLU O   1  92 ASN H   2.000     . 2.800 1.965 1.853 2.173     .  0  0 "[    .    1    .    2]" 1 
       78 1 88 GLU O   1  92 ASN N   3.000 2.500 3.700 2.883 2.778 3.081     .  0  0 "[    .    1    .    2]" 1 
       79 1 89 GLU O   1  93 MET H   1.800     . 2.300 1.712 1.657 1.803     .  0  0 "[    .    1    .    2]" 1 
       80 1 89 GLU O   1  93 MET N   2.800 2.300 3.300 2.678 2.627 2.765     .  0  0 "[    .    1    .    2]" 1 
       81 1 90 LEU O   1  94 LEU H   1.800     . 2.300 1.725 1.635 1.789     .  0  0 "[    .    1    .    2]" 1 
       82 1 90 LEU O   1  94 LEU N   2.800 2.300 3.300 2.693 2.616 2.745     .  0  0 "[    .    1    .    2]" 1 
       83 1 91 PHE O   1  95 GLN H   1.800     . 2.300 1.744 1.717 1.769     .  0  0 "[    .    1    .    2]" 1 
       84 1 91 PHE O   1  95 GLN N   2.800 2.300 3.300 2.704 2.676 2.724     .  0  0 "[    .    1    .    2]" 1 
       85 1 92 ASN O   1  96 GLU H   1.800     . 2.300 1.761 1.660 1.838     .  0  0 "[    .    1    .    2]" 1 
       86 1 92 ASN O   1  96 GLU N   2.800 2.300 3.300 2.713 2.637 2.786     .  0  0 "[    .    1    .    2]" 1 
       87 1 93 MET O   1  97 ILE H   1.800     . 2.300 1.622 1.580 1.696     .  0  0 "[    .    1    .    2]" 1 
       88 1 93 MET O   1  97 ILE N   2.800 2.300 3.300 2.603 2.555 2.673     .  0  0 "[    .    1    .    2]" 1 
       89 1 94 LEU O   1  98 MET H   1.800     . 2.400 1.771 1.726 1.811     .  0  0 "[    .    1    .    2]" 1 
       90 1 94 LEU O   1  98 MET N   2.800 2.300 3.300 2.723 2.671 2.759     .  0  0 "[    .    1    .    2]" 1 
       91 1 95 GLN O   1  99 GLN H   1.800     . 2.400 2.013 1.718 2.420 0.020 14  0 "[    .    1    .    2]" 1 
       92 1 95 GLN O   1  99 GLN N   2.800 2.300 3.300 2.856 2.650 3.096     .  0  0 "[    .    1    .    2]" 1 
       93 1 96 GLU O   1 100 ASN H   1.800     . 2.300 1.841 1.630 2.230     .  0  0 "[    .    1    .    2]" 1 
       94 1 96 GLU O   1 100 ASN N   2.800 2.300 3.300 2.689 2.577 2.771     .  0  0 "[    .    1    .    2]" 1 
       95 1 97 ILE O   1 101 ASN H   1.800     . 2.400 1.945 1.769 2.100     .  0  0 "[    .    1    .    2]" 1 
       96 1 97 ILE O   1 101 ASN N   2.800 2.300 3.400 2.767 2.694 2.843     .  0  0 "[    .    1    .    2]" 1 
    stop_

save_



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