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
629135 5w8y 30309 cing 4-filtered-FRED Wattos check violation distance


data_5w8y


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              288
    _Distance_constraint_stats_list.Viol_count                    361
    _Distance_constraint_stats_list.Viol_total                    1047.707
    _Distance_constraint_stats_list.Viol_max                      0.669
    _Distance_constraint_stats_list.Viol_rms                      0.0444
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0091
    _Distance_constraint_stats_list.Viol_average_violations_only  0.1451
    _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 ASN  9.272 0.330 12 0 "[    .    1    .    2]" 
       1  3 ALA  3.679 0.160 20 0 "[    .    1    .    2]" 
       1  4 ILE 10.442 0.364 12 0 "[    .    1    .    2]" 
       1  5 ASP  0.008 0.008 11 0 "[    .    1    .    2]" 
       1  6 ILE  1.106 0.134  2 0 "[    .    1    .    2]" 
       1  7 ALA  0.020 0.020 11 0 "[    .    1    .    2]" 
       1  8 ILE  0.058 0.058 10 0 "[    .    1    .    2]" 
       1  9 ASN  0.043 0.035 14 0 "[    .    1    .    2]" 
       1 10 LYS  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 11 LEU  0.251 0.251 14 0 "[    .    1    .    2]" 
       1 12 GLY  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 13 SER  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 14 VAL  2.254 0.184 17 0 "[    .    1    .    2]" 
       1 15 SER  2.659 0.184 17 0 "[    .    1    .    2]" 
       1 16 ALA  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 17 LEU  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 18 ALA  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 19 ALA  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 20 ALA  0.345 0.094  1 0 "[    .    1    .    2]" 
       1 21 LEU  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 22 GLY  0.345 0.094  1 0 "[    .    1    .    2]" 
       1 23 VAL  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 24 ASN  4.617 0.262  8 0 "[    .    1    .    2]" 
       1 25 GLN  3.859 0.262  8 0 "[    .    1    .    2]" 
       1 26 SER  1.833 0.669 19 1 "[    .    1    .   +2]" 
       1 27 ALA  0.021 0.021  2 0 "[    .    1    .    2]" 
       1 28 ILE  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 29 SER  0.005 0.005  1 0 "[    .    1    .    2]" 
       1 30 GLN  0.005 0.005  1 0 "[    .    1    .    2]" 
       1 31 TRP  0.814 0.149  3 0 "[    .    1    .    2]" 
       1 32 ARG  2.222 0.161  8 0 "[    .    1    .    2]" 
       1 33 ALA  5.466 0.261  5 0 "[    .    1    .    2]" 
       1 34 ARG  6.128 0.577 12 2 "[    .    1 +  .   -2]" 
       1 35 GLY  3.567 0.220 17 0 "[    .    1    .    2]" 
       1 36 ARG  0.533 0.112 19 0 "[    .    1    .    2]" 
       1 37 VAL  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 38 PRO  0.139 0.072 19 0 "[    .    1    .    2]" 
       1 39 ALA  5.078 0.401 18 0 "[    .    1    .    2]" 
       1 40 GLY  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 41 ARG  3.773 0.286  6 0 "[    .    1    .    2]" 
       1 42 CYS  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 43 ILE  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 44 ASP  3.773 0.286  6 0 "[    .    1    .    2]" 
       1 45 ILE  5.864 0.364 12 0 "[    .    1    .    2]" 
       1 46 GLU  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 47 LEU  2.103 0.487 20 0 "[    .    1    .    2]" 
       1 48 TYR  1.031 0.245 11 0 "[    .    1    .    2]" 
       1 49 THR  0.020 0.020 11 0 "[    .    1    .    2]" 
       1 50 ASP  1.031 0.245 11 0 "[    .    1    .    2]" 
       1 51 GLY  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 52 ARG  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 53 VAL  1.847 0.160 20 0 "[    .    1    .    2]" 
       1 54 GLU  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 55 CYS  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 56 ARG  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 57 GLU  0.088 0.088  7 0 "[    .    1    .    2]" 
       1 58 LEU  4.990 0.401 18 0 "[    .    1    .    2]" 
       1 59 ARG  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 60 PRO  4.260 0.465 15 0 "[    .    1    .    2]" 
       1 61 ASP  4.559 0.465 15 0 "[    .    1    .    2]" 
       1 62 VAL  0.300 0.116 13 0 "[    .    1    .    2]" 
       1 63 PHE  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 64 GLY  0.012 0.012 10 0 "[    .    1    .    2]" 
       1 65 ALA  0.012 0.012 10 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 28 ILE HA   1 28 ILE MD   3.910 . 3.910 2.131 2.059 2.246     .  0 0 "[    .    1    .    2]" 1 
         2 1 18 ALA HA   1 28 ILE MD   4.280 . 4.280 2.210 2.010 2.365     .  0 0 "[    .    1    .    2]" 1 
         3 1 28 ILE MD   1 31 TRP HZ3  4.850 . 4.850 2.625 2.458 2.814     .  0 0 "[    .    1    .    2]" 1 
         4 1 28 ILE MD   1 31 TRP HE3  4.760 . 4.760 2.597 2.356 2.885     .  0 0 "[    .    1    .    2]" 1 
         5 1 17 LEU HG   1 28 ILE MD   4.740 . 4.740 2.410 2.177 2.610     .  0 0 "[    .    1    .    2]" 1 
         6 1 45 ILE HA   1 45 ILE MD   4.030 . 4.030 3.798 3.746 3.847     .  0 0 "[    .    1    .    2]" 1 
         7 1 31 TRP HZ3  1 45 ILE MD   4.570 . 4.570 3.045 2.494 3.509     .  0 0 "[    .    1    .    2]" 1 
         8 1 43 ILE HA   1 43 ILE MD   4.730 . 4.730 3.272 2.060 3.938     .  0 0 "[    .    1    .    2]" 1 
         9 1  8 ILE MD   1 32 ARG HD3  4.380 . 4.380 2.823 1.880 4.438 0.058 10 0 "[    .    1    .    2]" 1 
        10 1  8 ILE MD   1 14 VAL HA   4.790 . 4.790 4.206 4.007 4.392     .  0 0 "[    .    1    .    2]" 1 
        11 1  8 ILE MD   1 32 ARG HD2  4.380 . 4.380 3.102 2.082 4.250     .  0 0 "[    .    1    .    2]" 1 
        12 1  4 ILE HB   1  4 ILE MD   3.660 . 3.660 2.400 2.375 2.425     .  0 0 "[    .    1    .    2]" 1 
        13 1  4 ILE MD   1 32 ARG HA   4.150 . 4.150 2.754 2.091 3.625     .  0 0 "[    .    1    .    2]" 1 
        14 1  4 ILE HA   1  4 ILE MD   4.130 . 4.130 3.454 3.334 3.548     .  0 0 "[    .    1    .    2]" 1 
        15 1  4 ILE MD   1 36 ARG HA   5.090 . 5.090 2.774 2.247 3.634     .  0 0 "[    .    1    .    2]" 1 
        16 1  4 ILE MD   1 31 TRP HE3  5.090 . 5.090 5.081 4.842 5.239 0.149  3 0 "[    .    1    .    2]" 1 
        17 1  2 ASN HA   1  4 ILE MD   4.200 . 4.200 4.391 4.149 4.530 0.330 12 0 "[    .    1    .    2]" 1 
        18 1  3 ALA HA   1  6 ILE HB   3.800 . 3.800 2.740 2.448 3.073     .  0 0 "[    .    1    .    2]" 1 
        19 1  4 ILE HA   1 45 ILE MD   3.900 . 3.900 2.073 1.796 2.483     .  0 0 "[    .    1    .    2]" 1 
        20 1  4 ILE HB   1 32 ARG HA   3.650 . 3.650 2.512 2.186 3.076     .  0 0 "[    .    1    .    2]" 1 
        21 1  4 ILE HB   1 45 ILE MD   3.790 . 3.790 4.083 4.006 4.154 0.364 12 0 "[    .    1    .    2]" 1 
        22 1  5 ASP HA   1  8 ILE HB   4.290 . 4.290 2.962 2.503 3.377     .  0 0 "[    .    1    .    2]" 1 
        23 1  5 ASP HA   1  8 ILE MD   4.040 . 4.040 1.820 1.664 2.127     .  0 0 "[    .    1    .    2]" 1 
        24 1  6 ILE HA   1  6 ILE MD   4.200 . 4.200 2.344 2.008 3.862     .  0 0 "[    .    1    .    2]" 1 
        25 1  6 ILE HB   1  6 ILE MD   3.740 . 3.740 3.168 2.504 3.296     .  0 0 "[    .    1    .    2]" 1 
        26 1  8 ILE HA   1  8 ILE MD   4.420 . 4.420 3.927 3.889 3.957     .  0 0 "[    .    1    .    2]" 1 
        27 1 28 ILE HA   1 31 TRP HE3  5.230 . 5.230 3.050 2.815 3.300     .  0 0 "[    .    1    .    2]" 1 
        28 1 28 ILE HA   1 31 TRP HB3  5.010 . 5.010 4.258 3.918 4.594     .  0 0 "[    .    1    .    2]" 1 
        29 1 28 ILE HA   1 31 TRP HB2  5.010 . 5.010 2.629 2.303 2.922     .  0 0 "[    .    1    .    2]" 1 
        30 1 10 LYS HA   1 10 LYS HD3  5.210 . 5.210 3.781 3.237 4.693     .  0 0 "[    .    1    .    2]" 1 
        31 1 10 LYS HA   1 10 LYS HD2  5.210 . 5.210 4.439 4.196 4.742     .  0 0 "[    .    1    .    2]" 1 
        32 1 34 ARG HA   1 34 ARG HD3  4.020 . 4.020 3.408 2.385 4.451 0.431 14 0 "[    .    1    .    2]" 1 
        33 1 34 ARG HA   1 34 ARG HD2  4.020 . 4.020 3.171 2.289 4.597 0.577 12 2 "[    .    1 +  .   -2]" 1 
        34 1 37 VAL HB   1 38 PRO HD2  4.420 . 4.420 2.362 2.009 2.543     .  0 0 "[    .    1    .    2]" 1 
        35 1 37 VAL HB   1 38 PRO HD3  4.420 . 4.420 3.424 3.166 3.698     .  0 0 "[    .    1    .    2]" 1 
        36 1 39 ALA HA   1 57 GLU HG2  5.300 . 5.300 4.629 3.122 5.127     .  0 0 "[    .    1    .    2]" 1 
        37 1 39 ALA HA   1 57 GLU HG3  5.300 . 5.300 3.671 3.003 5.388 0.088  7 0 "[    .    1    .    2]" 1 
        38 1 39 ALA HA   1 58 LEU HA   4.850 . 4.850 5.100 4.933 5.251 0.401 18 0 "[    .    1    .    2]" 1 
        39 1 41 ARG HA   1 41 ARG HD2  4.170 . 4.170 3.403 3.126 3.815     .  0 0 "[    .    1    .    2]" 1 
        40 1 41 ARG HA   1 41 ARG HD3  4.170 . 4.170 3.814 3.098 4.014     .  0 0 "[    .    1    .    2]" 1 
        41 1 42 CYS HA   1 45 ILE HB   3.690 . 3.690 2.309 1.856 2.675     .  0 0 "[    .    1    .    2]" 1 
        42 1 46 GLU HA   1 49 THR H    3.900 . 3.900 2.858 2.582 3.060     .  0 0 "[    .    1    .    2]" 1 
        43 1 51 GLY H    1 52 ARG H    3.940 . 3.940 2.243 1.926 2.683     .  0 0 "[    .    1    .    2]" 1 
        44 1 51 GLY H    1 53 VAL H    5.120 . 5.120 4.129 3.309 4.753     .  0 0 "[    .    1    .    2]" 1 
        45 1 35 GLY H    1 36 ARG H    3.580 . 3.580 2.495 2.341 2.619     .  0 0 "[    .    1    .    2]" 1 
        46 1 32 ARG HA   1 35 GLY H    4.700 . 4.700 3.407 3.143 3.715     .  0 0 "[    .    1    .    2]" 1 
        47 1  4 ILE MD   1 35 GLY H    4.720 . 4.720 3.495 3.236 3.924     .  0 0 "[    .    1    .    2]" 1 
        48 1 11 LEU H    1 12 GLY H    3.480 . 3.480 2.416 2.287 2.628     .  0 0 "[    .    1    .    2]" 1 
        49 1  9 ASN HA   1 12 GLY H    3.960 . 3.960 3.530 3.274 3.724     .  0 0 "[    .    1    .    2]" 1 
        50 1  8 ILE HA   1 12 GLY H    5.150 . 5.150 4.285 4.001 4.625     .  0 0 "[    .    1    .    2]" 1 
        51 1 11 LEU HB3  1 12 GLY H    4.700 . 4.700 4.164 3.708 4.403     .  0 0 "[    .    1    .    2]" 1 
        52 1  8 ILE HA   1 13 SER H    5.180 . 5.180 3.955 3.600 4.503     .  0 0 "[    .    1    .    2]" 1 
        53 1 13 SER H    1 14 VAL H    5.080 . 5.080 4.375 4.317 4.411     .  0 0 "[    .    1    .    2]" 1 
        54 1 20 ALA HA   1 22 GLY H    4.050 . 4.050 4.046 3.962 4.144 0.094  1 0 "[    .    1    .    2]" 1 
        55 1 63 PHE HB3  1 64 GLY H    5.330 . 5.330 3.487 1.951 4.608     .  0 0 "[    .    1    .    2]" 1 
        56 1 63 PHE HB2  1 64 GLY H    5.330 . 5.330 3.810 2.617 4.671     .  0 0 "[    .    1    .    2]" 1 
        57 1 39 ALA HA   1 40 GLY H    2.920 . 2.920 2.223 2.165 2.292     .  0 0 "[    .    1    .    2]" 1 
        58 1 18 ALA HA   1 23 VAL H    4.700 . 4.700 3.410 3.274 3.545     .  0 0 "[    .    1    .    2]" 1 
        59 1 27 ALA H    1 28 ILE H    3.580 . 3.580 2.669 2.591 2.775     .  0 0 "[    .    1    .    2]" 1 
        60 1 28 ILE H    1 29 SER H    3.720 . 3.720 2.683 2.640 2.744     .  0 0 "[    .    1    .    2]" 1 
        61 1 25 GLN HA   1 28 ILE H    4.230 . 4.230 3.491 3.311 3.780     .  0 0 "[    .    1    .    2]" 1 
        62 1 28 ILE H    1 28 ILE HB   3.290 . 3.290 2.569 2.497 2.620     .  0 0 "[    .    1    .    2]" 1 
        63 1 28 ILE H    1 28 ILE MD   4.430 . 4.430 3.192 3.084 3.399     .  0 0 "[    .    1    .    2]" 1 
        64 1 28 ILE HB   1 29 SER H    3.590 . 3.590 2.482 2.266 2.616     .  0 0 "[    .    1    .    2]" 1 
        65 1 25 GLN HA   1 29 SER H    5.370 . 5.370 4.491 4.108 4.827     .  0 0 "[    .    1    .    2]" 1 
        66 1 37 VAL H    1 57 GLU HA   3.420 . 3.420 2.779 2.272 3.245     .  0 0 "[    .    1    .    2]" 1 
        67 1 36 ARG HA   1 37 VAL H    3.220 . 3.220 2.275 2.177 2.384     .  0 0 "[    .    1    .    2]" 1 
        68 1 52 ARG H    1 53 VAL H    3.790 . 3.790 2.477 2.216 2.871     .  0 0 "[    .    1    .    2]" 1 
        69 1 14 VAL HB   1 15 SER H    3.640 . 3.640 3.022 2.933 3.114     .  0 0 "[    .    1    .    2]" 1 
        70 1 24 ASN HD21 1 26 SER H    3.610 . 3.610 3.441 3.098 3.824 0.214  7 0 "[    .    1    .    2]" 1 
        71 1 26 SER H    1 26 SER HB2  2.880 . 2.880 2.610 2.509 3.549 0.669 19 1 "[    .    1    .   +2]" 1 
        72 1 40 GLY H    1 41 ARG H    3.710 . 3.710 2.826 2.537 3.337     .  0 0 "[    .    1    .    2]" 1 
        73 1 41 ARG H    1 42 CYS H    3.270 . 3.270 2.077 1.633 2.676     .  0 0 "[    .    1    .    2]" 1 
        74 1  3 ALA H    1  4 ILE H    3.930 . 3.930 2.866 2.688 3.011     .  0 0 "[    .    1    .    2]" 1 
        75 1  4 ILE H    1  5 ASP H    3.350 . 3.350 2.542 2.397 2.645     .  0 0 "[    .    1    .    2]" 1 
        76 1  4 ILE H    1  4 ILE HB   3.500 . 3.500 2.716 2.653 2.767     .  0 0 "[    .    1    .    2]" 1 
        77 1 48 TYR H    1 49 THR H    3.490 . 3.490 2.366 2.260 2.515     .  0 0 "[    .    1    .    2]" 1 
        78 1 47 LEU H    1 48 TYR H    3.450 . 3.450 2.677 2.541 2.770     .  0 0 "[    .    1    .    2]" 1 
        79 1 45 ILE HA   1 48 TYR H    4.350 . 4.350 3.347 3.190 3.499     .  0 0 "[    .    1    .    2]" 1 
        80 1 47 LEU HB2  1 48 TYR H    4.720 . 4.720 3.049 2.497 4.250     .  0 0 "[    .    1    .    2]" 1 
        81 1 34 ARG H    1 35 GLY H    3.490 . 3.490 2.343 2.176 2.479     .  0 0 "[    .    1    .    2]" 1 
        82 1 33 ALA H    1 34 ARG H    3.720 . 3.720 2.476 2.274 2.664     .  0 0 "[    .    1    .    2]" 1 
        83 1 18 ALA HA   1 21 LEU H    4.770 . 4.770 3.232 3.039 3.383     .  0 0 "[    .    1    .    2]" 1 
        84 1 21 LEU H    1 21 LEU HG   3.820 . 3.820 2.678 2.488 2.884     .  0 0 "[    .    1    .    2]" 1 
        85 1 44 ASP H    1 46 GLU H    5.020 . 5.020 3.853 3.578 4.149     .  0 0 "[    .    1    .    2]" 1 
        86 1 24 ASN H    1 24 ASN HB3  3.960 . 3.960 3.031 2.512 3.625     .  0 0 "[    .    1    .    2]" 1 
        87 1 23 VAL HB   1 24 ASN H    3.210 . 3.210 2.131 1.997 2.270     .  0 0 "[    .    1    .    2]" 1 
        88 1  8 ILE HA   1 11 LEU H    4.980 . 4.980 3.919 3.761 4.146     .  0 0 "[    .    1    .    2]" 1 
        89 1 10 LYS HB3  1 11 LEU H    4.070 . 4.070 2.633 2.393 2.877     .  0 0 "[    .    1    .    2]" 1 
        90 1 11 LEU H    1 11 LEU HG   3.550 . 3.550 2.695 2.443 3.801 0.251 14 0 "[    .    1    .    2]" 1 
        91 1  9 ASN H    1 10 LYS H    3.780 . 3.780 2.609 2.499 2.728     .  0 0 "[    .    1    .    2]" 1 
        92 1  6 ILE HA   1  9 ASN H    4.430 . 4.430 3.338 2.955 3.545     .  0 0 "[    .    1    .    2]" 1 
        93 1  5 ASP HA   1  9 ASN H    4.750 . 4.750 4.481 4.139 4.758 0.008 11 0 "[    .    1    .    2]" 1 
        94 1 32 ARG H    1 33 ALA H    3.700 . 3.700 2.489 2.439 2.598     .  0 0 "[    .    1    .    2]" 1 
        95 1 32 ARG H    1 33 ALA HA   5.050 . 5.050 5.154 5.114 5.211 0.161  8 0 "[    .    1    .    2]" 1 
        96 1 31 TRP HB3  1 32 ARG H    3.970 . 3.970 3.741 3.548 3.890     .  0 0 "[    .    1    .    2]" 1 
        97 1  4 ILE HA   1  8 ILE H    4.940 . 4.940 4.542 4.363 4.725     .  0 0 "[    .    1    .    2]" 1 
        98 1 42 CYS H    1 43 ILE H    4.050 . 4.050 2.656 2.452 2.782     .  0 0 "[    .    1    .    2]" 1 
        99 1 43 ILE H    1 44 ASP H    3.840 . 3.840 2.840 2.721 2.966     .  0 0 "[    .    1    .    2]" 1 
       100 1 42 CYS HB3  1 43 ILE H    4.610 . 4.610 3.215 2.811 3.902     .  0 0 "[    .    1    .    2]" 1 
       101 1 43 ILE H    1 43 ILE HB   3.450 . 3.450 2.541 2.394 2.654     .  0 0 "[    .    1    .    2]" 1 
       102 1 45 ILE H    1 46 GLU H    3.560 . 3.560 2.695 2.631 2.770     .  0 0 "[    .    1    .    2]" 1 
       103 1 44 ASP H    1 45 ILE H    3.450 . 3.450 2.543 2.406 2.647     .  0 0 "[    .    1    .    2]" 1 
       104 1 42 CYS HA   1 45 ILE H    3.770 . 3.770 3.258 2.922 3.639     .  0 0 "[    .    1    .    2]" 1 
       105 1 45 ILE H    1 45 ILE HB   3.340 . 3.340 2.446 2.369 2.531     .  0 0 "[    .    1    .    2]" 1 
       106 1 17 LEU H    1 19 ALA H    5.340 . 5.340 4.096 3.920 4.259     .  0 0 "[    .    1    .    2]" 1 
       107 1 15 SER HA   1 19 ALA H    4.990 . 4.990 4.178 3.970 4.411     .  0 0 "[    .    1    .    2]" 1 
       108 1  5 ASP HB3  1  6 ILE H    4.080 . 4.080 2.654 2.440 2.923     .  0 0 "[    .    1    .    2]" 1 
       109 1  5 ASP HB2  1  6 ILE H    4.080 . 4.080 3.912 3.761 4.043     .  0 0 "[    .    1    .    2]" 1 
       110 1  6 ILE H    1  6 ILE HB   3.310 . 3.310 2.451 2.335 2.542     .  0 0 "[    .    1    .    2]" 1 
       111 1  6 ILE H    1  6 ILE MD   4.630 . 4.630 3.467 3.031 3.730     .  0 0 "[    .    1    .    2]" 1 
       112 1 46 GLU H    1 47 LEU H    3.910 . 3.910 2.515 2.351 2.635     .  0 0 "[    .    1    .    2]" 1 
       113 1 44 ASP HA   1 47 LEU H    5.030 . 5.030 3.408 3.084 3.610     .  0 0 "[    .    1    .    2]" 1 
       114 1 47 LEU H    1 47 LEU HG   3.600 . 3.600 3.051 2.197 4.087 0.487 20 0 "[    .    1    .    2]" 1 
       115 1 47 LEU H    1 47 LEU HB3  3.780 . 3.780 3.342 2.057 3.648     .  0 0 "[    .    1    .    2]" 1 
       116 1 47 LEU H    1 47 LEU HB2  3.780 . 3.780 2.391 2.049 2.844     .  0 0 "[    .    1    .    2]" 1 
       117 1  2 ASN HA   1  3 ALA H    3.350 . 3.350 2.403 2.246 2.516     .  0 0 "[    .    1    .    2]" 1 
       118 1  2 ASN HB3  1  3 ALA H    3.620 . 3.620 3.479 2.498 3.767 0.147 14 0 "[    .    1    .    2]" 1 
       119 1 48 TYR H    1 50 ASP H    4.770 . 4.770 4.665 4.227 5.015 0.245 11 0 "[    .    1    .    2]" 1 
       120 1 49 THR H    1 50 ASP H    3.640 . 3.640 2.981 2.460 3.552     .  0 0 "[    .    1    .    2]" 1 
       121 1 43 ILE HB   1 44 ASP H    4.260 . 4.260 2.474 2.220 2.687     .  0 0 "[    .    1    .    2]" 1 
       122 1 56 ARG HA   1 57 GLU H    3.080 . 3.080 2.159 2.090 2.229     .  0 0 "[    .    1    .    2]" 1 
       123 1 57 GLU H    1 57 GLU HG3  4.540 . 4.540 2.863 2.259 3.090     .  0 0 "[    .    1    .    2]" 1 
       124 1 57 GLU H    1 57 GLU HG2  4.540 . 4.540 2.326 1.853 3.768     .  0 0 "[    .    1    .    2]" 1 
       125 1 16 ALA H    1 17 LEU H    3.750 . 3.750 2.568 2.462 2.699     .  0 0 "[    .    1    .    2]" 1 
       126 1 14 VAL HA   1 17 LEU H    4.560 . 4.560 3.075 2.891 3.211     .  0 0 "[    .    1    .    2]" 1 
       127 1 17 LEU H    1 17 LEU HB2  3.580 . 3.580 2.559 2.516 2.607     .  0 0 "[    .    1    .    2]" 1 
       128 1 17 LEU H    1 17 LEU HB3  3.580 . 3.580 2.572 2.528 2.627     .  0 0 "[    .    1    .    2]" 1 
       129 1 61 ASP H    1 62 VAL H    4.540 . 4.540 3.207 2.174 4.656 0.116 13 0 "[    .    1    .    2]" 1 
       130 1 60 PRO HA   1 61 ASP H    3.430 . 3.430 2.607 2.030 3.498 0.068 10 0 "[    .    1    .    2]" 1 
       131 1 10 LYS H    1 11 LEU H    3.730 . 3.730 2.608 2.502 2.706     .  0 0 "[    .    1    .    2]" 1 
       132 1  6 ILE HA   1 10 LYS H    5.440 . 5.440 4.241 4.011 4.409     .  0 0 "[    .    1    .    2]" 1 
       133 1 17 LEU HA   1 20 ALA H    4.650 . 4.650 3.642 3.474 3.723     .  0 0 "[    .    1    .    2]" 1 
       134 1 18 ALA HA   1 20 ALA H    5.940 . 5.940 4.280 4.109 4.448     .  0 0 "[    .    1    .    2]" 1 
       135 1 24 ASN HA   1 25 GLN H    2.750 . 2.750 2.391 2.252 2.531     .  0 0 "[    .    1    .    2]" 1 
       136 1 24 ASN HB3  1 25 GLN H    3.590 . 3.590 3.183 2.268 3.723 0.133  5 0 "[    .    1    .    2]" 1 
       137 1 30 GLN H    1 31 TRP H    3.640 . 3.640 2.599 2.433 2.742     .  0 0 "[    .    1    .    2]" 1 
       138 1 31 TRP H    1 31 TRP HD1  3.610 . 3.610 3.122 2.958 3.489     .  0 0 "[    .    1    .    2]" 1 
       139 1 31 TRP H    1 31 TRP HB3  3.860 . 3.860 3.617 3.589 3.646     .  0 0 "[    .    1    .    2]" 1 
       140 1 28 ILE HA   1 31 TRP H    4.450 . 4.450 3.349 3.176 3.570     .  0 0 "[    .    1    .    2]" 1 
       141 1 18 ALA H    1 19 ALA H    3.890 . 3.890 2.628 2.498 2.837     .  0 0 "[    .    1    .    2]" 1 
       142 1 17 LEU H    1 18 ALA H    3.560 . 3.560 2.726 2.612 2.854     .  0 0 "[    .    1    .    2]" 1 
       143 1 18 ALA H    1 20 ALA H    5.460 . 5.460 4.083 3.842 4.344     .  0 0 "[    .    1    .    2]" 1 
       144 1 15 SER HA   1 18 ALA H    4.390 . 4.390 3.915 3.646 4.236     .  0 0 "[    .    1    .    2]" 1 
       145 1 18 ALA H    1 28 ILE MD   4.870 . 4.870 3.773 3.303 4.084     .  0 0 "[    .    1    .    2]" 1 
       146 1 14 VAL H    1 15 SER H    3.660 . 3.660 2.386 2.338 2.462     .  0 0 "[    .    1    .    2]" 1 
       147 1 13 SER HA   1 14 VAL H    2.980 . 2.980 2.348 2.281 2.454     .  0 0 "[    .    1    .    2]" 1 
       148 1 14 VAL H    1 15 SER HA   4.920 . 4.920 5.033 4.990 5.104 0.184 17 0 "[    .    1    .    2]" 1 
       149 1 14 VAL H    1 14 VAL HB   3.170 . 3.170 2.315 2.245 2.406     .  0 0 "[    .    1    .    2]" 1 
       150 1 38 PRO HA   1 39 ALA H    3.140 . 3.140 2.393 2.243 2.456     .  0 0 "[    .    1    .    2]" 1 
       151 1 39 ALA H    1 40 GLY H    4.970 . 4.970 4.591 4.460 4.664     .  0 0 "[    .    1    .    2]" 1 
       152 1 58 LEU HA   1 59 ARG H    3.130 . 3.130 2.304 2.108 2.504     .  0 0 "[    .    1    .    2]" 1 
       153 1 62 VAL HB   1 63 PHE H    5.070 . 5.070 4.188 2.190 4.531     .  0 0 "[    .    1    .    2]" 1 
       154 1 29 SER HA   1 30 GLN H    3.570 . 3.570 3.523 3.440 3.575 0.005  1 0 "[    .    1    .    2]" 1 
       155 1  6 ILE HB   1  7 ALA H    3.740 . 3.740 2.864 2.663 3.173     .  0 0 "[    .    1    .    2]" 1 
       156 1 14 VAL H    1 16 ALA H    5.800 . 5.800 4.118 3.913 4.363     .  0 0 "[    .    1    .    2]" 1 
       157 1 13 SER H    1 16 ALA H    5.390 . 5.390 4.291 3.909 4.560     .  0 0 "[    .    1    .    2]" 1 
       158 1 13 SER HA   1 16 ALA H    5.760 . 5.760 4.727 4.581 4.925     .  0 0 "[    .    1    .    2]" 1 
       159 1 14 VAL HA   1 16 ALA H    5.850 . 5.850 4.332 4.106 4.640     .  0 0 "[    .    1    .    2]" 1 
       160 1 26 SER H    1 27 ALA H    3.200 . 3.200 2.625 2.524 2.745     .  0 0 "[    .    1    .    2]" 1 
       161 1 25 GLN HA   1 27 ALA H    5.370 . 5.370 4.189 4.033 4.470     .  0 0 "[    .    1    .    2]" 1 
       162 1 24 ASN HB2  1 27 ALA H    5.050 . 5.050 3.660 2.129 4.497     .  0 0 "[    .    1    .    2]" 1 
       163 1 53 VAL H    1 54 GLU H    5.380 . 5.380 4.287 4.161 4.382     .  0 0 "[    .    1    .    2]" 1 
       164 1 53 VAL HA   1 54 GLU H    3.080 . 3.080 2.276 2.145 2.386     .  0 0 "[    .    1    .    2]" 1 
       165 1 54 GLU HA   1 55 CYS H    3.020 . 3.020 2.190 2.126 2.290     .  0 0 "[    .    1    .    2]" 1 
       166 1 55 CYS H    1 55 CYS HB3  3.790 . 3.790 2.496 2.280 2.887     .  0 0 "[    .    1    .    2]" 1 
       167 1 55 CYS H    1 55 CYS HB2  3.790 . 3.790 2.795 2.488 3.628     .  0 0 "[    .    1    .    2]" 1 
       168 1 27 ALA HA   1 31 TRP HE1  5.070 . 5.070 4.662 4.388 5.091 0.021  2 0 "[    .    1    .    2]" 1 
       169 1 31 TRP HE1  1 38 PRO HG3  4.470 . 4.470 3.434 3.068 3.835     .  0 0 "[    .    1    .    2]" 1 
       170 1 31 TRP HE1  1 38 PRO HG2  4.470 . 4.470 3.071 2.653 4.542 0.072 19 0 "[    .    1    .    2]" 1 
       171 1 55 CYS HA   1 56 ARG H    3.000 . 3.000 2.238 2.167 2.301     .  0 0 "[    .    1    .    2]" 1 
       172 1  6 ILE H    1  7 ALA H    3.550 . 3.550 2.573 2.416 2.703     .  0 0 "[    .    1    .    2]" 1 
       173 1 13 SER HA   1 15 SER H    4.650 . 4.650 4.089 3.941 4.281     .  0 0 "[    .    1    .    2]" 1 
       174 1 15 SER H    1 16 ALA H    3.840 . 3.840 2.653 2.576 2.735     .  0 0 "[    .    1    .    2]" 1 
       175 1 20 ALA H    1 21 LEU H    3.610 . 3.610 2.515 2.387 2.630     .  0 0 "[    .    1    .    2]" 1 
       176 1 29 SER H    1 30 GLN H    3.650 . 3.650 2.682 2.619 2.765     .  0 0 "[    .    1    .    2]" 1 
       177 1 54 GLU H    1 55 CYS H    4.930 . 4.930 4.442 4.172 4.606     .  0 0 "[    .    1    .    2]" 1 
       178 1 37 VAL H    1 58 LEU H    4.830 . 4.830 4.218 3.744 4.600     .  0 0 "[    .    1    .    2]" 1 
       179 1  4 ILE H    1  4 ILE MD   3.380 . 3.380 1.550 1.504 1.654     .  0 0 "[    .    1    .    2]" 1 
       180 1 62 VAL H    1 63 PHE H    4.540 . 4.540 3.137 1.864 4.234     .  0 0 "[    .    1    .    2]" 1 
       181 1 41 ARG HA   1 41 ARG HE   3.530 . 3.530 1.894 1.543 2.360     .  0 0 "[    .    1    .    2]" 1 
       182 1 41 ARG HE   1 44 ASP H    3.540 . 3.540 3.729 3.624 3.826 0.286  6 0 "[    .    1    .    2]" 1 
       183 1 32 ARG HE   1 32 ARG HG3  3.740 . 3.740 3.118 2.297 3.763 0.023  1 0 "[    .    1    .    2]" 1 
       184 1  8 ILE MD   1 32 ARG HE   4.200 . 4.200 3.177 2.206 4.062     .  0 0 "[    .    1    .    2]" 1 
       185 1 15 SER HA   1 25 GLN HE21 4.540 . 4.540 3.051 1.835 4.680 0.140  5 0 "[    .    1    .    2]" 1 
       186 1 15 SER HA   1 25 GLN HE22 4.830 . 4.830 3.862 2.921 4.921 0.091  7 0 "[    .    1    .    2]" 1 
       187 1 27 ALA HA   1 31 TRP H    4.540 . 4.540 4.262 4.075 4.463     .  0 0 "[    .    1    .    2]" 1 
       188 1 31 TRP H    1 32 ARG H    3.690 . 3.690 2.581 2.473 2.691     .  0 0 "[    .    1    .    2]" 1 
       189 1 31 TRP H    1 31 TRP HB2  3.860 . 3.860 2.467 2.411 2.526     .  0 0 "[    .    1    .    2]" 1 
       190 1 12 GLY H    1 13 SER H    3.710 . 3.710 2.779 2.396 3.021     .  0 0 "[    .    1    .    2]" 1 
       191 1  2 ASN HB2  1  2 ASN HD21 3.540 . 3.540 3.036 2.226 3.464     .  0 0 "[    .    1    .    2]" 1 
       192 1  2 ASN HD21 1 35 GLY HA2  4.090 . 4.090 2.538 1.520 3.567     .  0 0 "[    .    1    .    2]" 1 
       193 1  2 ASN HD21 1 35 GLY HA3  4.090 . 4.090 3.668 3.028 4.161 0.071 18 0 "[    .    1    .    2]" 1 
       194 1  2 ASN HD22 1 33 ALA HA   4.230 . 4.230 4.399 4.302 4.491 0.261  5 0 "[    .    1    .    2]" 1 
       195 1  2 ASN HD22 1 32 ARG HA   4.050 . 4.050 2.753 1.898 4.030     .  0 0 "[    .    1    .    2]" 1 
       196 1  2 ASN HB2  1  2 ASN HD22 3.870 . 3.870 3.836 3.498 4.026 0.156 19 0 "[    .    1    .    2]" 1 
       197 1  6 ILE HA   1  9 ASN HD21 5.000 . 5.000 2.898 1.755 5.035 0.035 14 0 "[    .    1    .    2]" 1 
       198 1 16 ALA H    1 18 ALA H    5.380 . 5.380 4.346 4.083 4.599     .  0 0 "[    .    1    .    2]" 1 
       199 1 40 GLY H    1 42 CYS H    4.910 . 4.910 3.860 3.034 4.344     .  0 0 "[    .    1    .    2]" 1 
       200 1 29 SER H    1 29 SER HB2  3.610 . 3.610 2.647 2.454 3.569     .  0 0 "[    .    1    .    2]" 1 
       201 1 32 ARG HE   1 32 ARG HG2  3.740 . 3.740 2.964 2.517 3.780 0.040 15 0 "[    .    1    .    2]" 1 
       202 1 64 GLY H    1 65 ALA H    4.390 . 4.390 3.226 1.861 4.402 0.012 10 0 "[    .    1    .    2]" 1 
       203 1 50 ASP HB2  1 51 GLY H    5.640 . 5.640 3.780 2.203 4.710     .  0 0 "[    .    1    .    2]" 1 
       204 1  5 ASP H    1  5 ASP HB3  4.020 . 4.020 2.495 2.328 2.680     .  0 0 "[    .    1    .    2]" 1 
       205 1  5 ASP H    1  5 ASP HB2  4.020 . 4.020 2.557 2.355 2.661     .  0 0 "[    .    1    .    2]" 1 
       206 1 10 LYS HA   1 12 GLY H    5.430 . 5.430 4.143 3.817 4.397     .  0 0 "[    .    1    .    2]" 1 
       207 1 11 LEU HB2  1 12 GLY H    4.700 . 4.700 3.280 2.945 3.691     .  0 0 "[    .    1    .    2]" 1 
       208 1 21 LEU HB3  1 22 GLY H    4.550 . 4.550 4.165 4.094 4.250     .  0 0 "[    .    1    .    2]" 1 
       209 1 21 LEU HB2  1 22 GLY H    4.550 . 4.550 3.397 3.263 3.572     .  0 0 "[    .    1    .    2]" 1 
       210 1 21 LEU H    1 22 GLY H    3.460 . 3.460 2.359 2.208 2.539     .  0 0 "[    .    1    .    2]" 1 
       211 1 20 ALA H    1 22 GLY H    4.900 . 4.900 3.874 3.757 3.964     .  0 0 "[    .    1    .    2]" 1 
       212 1 34 ARG H    1 36 ARG H    4.700 . 4.700 3.997 3.834 4.145     .  0 0 "[    .    1    .    2]" 1 
       213 1 50 ASP HB3  1 51 GLY H    5.640 . 5.640 3.493 2.140 4.508     .  0 0 "[    .    1    .    2]" 1 
       214 1 24 ASN HB3  1 27 ALA H    5.050 . 5.050 3.694 2.518 4.835     .  0 0 "[    .    1    .    2]" 1 
       215 1 57 GLU HG2  1 58 LEU H    6.000 . 6.000 4.817 4.703 4.962     .  0 0 "[    .    1    .    2]" 1 
       216 1 57 GLU HG3  1 58 LEU H    6.000 . 6.000 4.028 3.678 5.006     .  0 0 "[    .    1    .    2]" 1 
       217 1 42 CYS H    1 42 CYS HB3  3.580 . 3.580 2.768 2.371 3.579     .  0 0 "[    .    1    .    2]" 1 
       218 1 42 CYS H    1 42 CYS HB2  3.580 . 3.580 2.551 2.199 2.797     .  0 0 "[    .    1    .    2]" 1 
       219 1 17 LEU H    1 17 LEU HG   4.590 . 4.590 4.528 4.512 4.555     .  0 0 "[    .    1    .    2]" 1 
       220 1 15 SER HA   1 17 LEU H    5.220 . 5.220 4.498 4.346 4.669     .  0 0 "[    .    1    .    2]" 1 
       221 1 13 SER H    1 17 LEU H    5.230 . 5.230 4.222 3.893 4.494     .  0 0 "[    .    1    .    2]" 1 
       222 1 19 ALA H    1 20 ALA H    3.390 . 3.390 2.668 2.589 2.742     .  0 0 "[    .    1    .    2]" 1 
       223 1  7 ALA H    1  8 ILE H    3.630 . 3.630 2.604 2.527 2.710     .  0 0 "[    .    1    .    2]" 1 
       224 1  8 ILE H    1  9 ASN H    3.560 . 3.560 2.712 2.604 2.828     .  0 0 "[    .    1    .    2]" 1 
       225 1  6 ILE H    1  8 ILE H    4.980 . 4.980 4.041 3.887 4.185     .  0 0 "[    .    1    .    2]" 1 
       226 1 47 LEU HB3  1 48 TYR H    4.720 . 4.720 3.401 2.972 3.814     .  0 0 "[    .    1    .    2]" 1 
       227 1 10 LYS HB2  1 11 LEU H    4.070 . 4.070 3.754 3.547 3.967     .  0 0 "[    .    1    .    2]" 1 
       228 1  8 ILE H    1  8 ILE HB   3.180 . 3.180 2.571 2.468 2.661     .  0 0 "[    .    1    .    2]" 1 
       229 1  8 ILE H    1 10 LYS H    4.610 . 4.610 3.957 3.765 4.129     .  0 0 "[    .    1    .    2]" 1 
       230 1 42 CYS HB2  1 43 ILE H    4.610 . 4.610 3.922 3.295 4.308     .  0 0 "[    .    1    .    2]" 1 
       231 1 29 SER HB2  1 30 GLN H    4.150 . 4.150 3.193 2.585 4.011     .  0 0 "[    .    1    .    2]" 1 
       232 1 30 GLN H    1 32 ARG H    5.330 . 5.330 4.009 3.837 4.205     .  0 0 "[    .    1    .    2]" 1 
       233 1 28 ILE H    1 30 GLN H    5.770 . 5.770 4.020 3.747 4.231     .  0 0 "[    .    1    .    2]" 1 
       234 1 30 GLN H    1 31 TRP HD1  5.870 . 5.870 5.161 4.888 5.477     .  0 0 "[    .    1    .    2]" 1 
       235 1 27 ALA H    1 30 GLN H    5.810 . 5.810 4.778 4.567 5.014     .  0 0 "[    .    1    .    2]" 1 
       236 1 31 TRP HB2  1 32 ARG H    3.970 . 3.970 2.795 2.522 2.997     .  0 0 "[    .    1    .    2]" 1 
       237 1 10 LYS H    1 10 LYS HB2  3.510 . 3.510 2.422 2.247 2.610     .  0 0 "[    .    1    .    2]" 1 
       238 1 10 LYS H    1 10 LYS HB3  3.510 . 3.510 2.725 2.589 2.961     .  0 0 "[    .    1    .    2]" 1 
       239 1 21 LEU HB3  1 23 VAL H    5.080 . 5.080 4.107 3.814 4.400     .  0 0 "[    .    1    .    2]" 1 
       240 1 21 LEU HB2  1 23 VAL H    5.080 . 5.080 3.300 2.992 3.545     .  0 0 "[    .    1    .    2]" 1 
       241 1 34 ARG H    1 34 ARG HB2  3.470 . 3.470 2.560 2.359 2.716     .  0 0 "[    .    1    .    2]" 1 
       242 1 34 ARG H    1 34 ARG HB3  3.470 . 3.470 2.411 2.315 2.560     .  0 0 "[    .    1    .    2]" 1 
       243 1 34 ARG HG2  1 35 GLY H    4.550 . 4.550 4.602 4.104 4.770 0.220 17 0 "[    .    1    .    2]" 1 
       244 1 34 ARG HG3  1 35 GLY H    4.550 . 4.550 4.168 3.784 4.755 0.205 12 0 "[    .    1    .    2]" 1 
       245 1 34 ARG HB2  1 35 GLY H    4.110 . 4.110 3.914 3.761 4.012     .  0 0 "[    .    1    .    2]" 1 
       246 1 34 ARG HB3  1 35 GLY H    4.110 . 4.110 2.741 2.615 2.915     .  0 0 "[    .    1    .    2]" 1 
       247 1 34 ARG HG3  1 36 ARG H    4.000 . 4.000 3.164 2.409 4.112 0.112 19 0 "[    .    1    .    2]" 1 
       248 1 34 ARG HG2  1 36 ARG H    4.000 . 4.000 3.292 2.632 3.743     .  0 0 "[    .    1    .    2]" 1 
       249 1 34 ARG HB2  1 36 ARG H    4.160 . 4.160 4.116 3.925 4.228 0.068  1 0 "[    .    1    .    2]" 1 
       250 1 34 ARG HB3  1 36 ARG H    4.160 . 4.160 2.467 2.282 2.675     .  0 0 "[    .    1    .    2]" 1 
       251 1  2 ASN HB3  1  2 ASN HD21 3.540 . 3.540 2.281 2.156 3.027     .  0 0 "[    .    1    .    2]" 1 
       252 1  2 ASN HB3  1  2 ASN HD22 3.870 . 3.870 3.506 3.453 3.843     .  0 0 "[    .    1    .    2]" 1 
       253 1  2 ASN HB2  1  3 ALA H    3.620 . 3.620 2.549 2.059 3.721 0.101 17 0 "[    .    1    .    2]" 1 
       254 1  2 ASN HB3  1  4 ILE H    4.730 . 4.730 4.313 2.650 4.763 0.033  8 0 "[    .    1    .    2]" 1 
       255 1  2 ASN HB2  1  4 ILE H    4.730 . 4.730 3.094 2.688 3.343     .  0 0 "[    .    1    .    2]" 1 
       256 1 23 VAL H    1 24 ASN H    4.920 . 4.920 4.434 4.376 4.484     .  0 0 "[    .    1    .    2]" 1 
       257 1 24 ASN H    1 24 ASN HB2  3.960 . 3.960 3.016 2.284 3.742     .  0 0 "[    .    1    .    2]" 1 
       258 1 24 ASN HB2  1 25 GLN H    3.590 . 3.590 3.069 2.181 3.813 0.223 11 0 "[    .    1    .    2]" 1 
       259 1 33 ALA H    1 35 GLY H    5.230 . 5.230 3.940 3.757 4.154     .  0 0 "[    .    1    .    2]" 1 
       260 1 60 PRO HG2  1 61 ASP H    5.250 . 5.250 4.216 2.339 5.049     .  0 0 "[    .    1    .    2]" 1 
       261 1 60 PRO HG3  1 61 ASP H    5.250 . 5.250 5.177 3.863 5.715 0.465 15 0 "[    .    1    .    2]" 1 
       262 1  3 ALA H    1 55 CYS HA   5.260 . 5.260 4.219 3.196 4.802     .  0 0 "[    .    1    .    2]" 1 
       263 1  3 ALA H    1  5 ASP H    5.650 . 5.650 4.338 4.071 4.574     .  0 0 "[    .    1    .    2]" 1 
       264 1  3 ALA H    1  6 ILE HB   5.080 . 5.080 5.123 4.958 5.214 0.134  2 0 "[    .    1    .    2]" 1 
       265 1  3 ALA H    1 53 VAL HB   5.240 . 5.240 5.332 5.236 5.400 0.160 20 0 "[    .    1    .    2]" 1 
       266 1  2 ASN HA   1  4 ILE H    5.560 . 5.560 4.433 4.179 4.604     .  0 0 "[    .    1    .    2]" 1 
       267 1  4 ILE H    1 32 ARG HA   5.400 . 5.400 4.546 4.192 5.219     .  0 0 "[    .    1    .    2]" 1 
       268 1  4 ILE H    1  5 ASP HA   5.970 . 5.970 5.219 5.097 5.310     .  0 0 "[    .    1    .    2]" 1 
       269 1  7 ALA H    1 49 THR HB   6.000 . 6.000 5.660 5.240 6.020 0.020 11 0 "[    .    1    .    2]" 1 
       270 1  7 ALA H    1 49 THR HA   6.000 . 6.000 5.720 5.415 5.994     .  0 0 "[    .    1    .    2]" 1 
       271 1  4 ILE HA   1  7 ALA H    4.350 . 4.350 3.686 3.528 3.862     .  0 0 "[    .    1    .    2]" 1 
       272 1 25 GLN H    1 26 SER H    3.860 . 3.860 2.511 2.299 2.752     .  0 0 "[    .    1    .    2]" 1 
       273 1 24 ASN H    1 25 GLN H    4.760 . 4.760 4.535 4.502 4.578     .  0 0 "[    .    1    .    2]" 1 
       274 1 24 ASN H    1 25 GLN HE22 6.000 . 6.000 5.877 5.214 6.262 0.262  8 0 "[    .    1    .    2]" 1 
       275 1 11 LEU H    1 13 SER H    5.180 . 5.180 4.169 3.837 4.408     .  0 0 "[    .    1    .    2]" 1 
       276 1 24 ASN H    1 27 ALA H    5.580 . 5.580 3.931 3.698 4.318     .  0 0 "[    .    1    .    2]" 1 
       277 1 27 ALA H    1 29 SER H    5.380 . 5.380 4.212 4.014 4.469     .  0 0 "[    .    1    .    2]" 1 
       278 1 31 TRP H    1 31 TRP HE1  5.890 . 5.890 4.945 4.791 5.213     .  0 0 "[    .    1    .    2]" 1 
       279 1 31 TRP HE3  1 32 ARG H    5.670 . 5.670 5.414 5.088 5.669     .  0 0 "[    .    1    .    2]" 1 
       280 1 31 TRP HD1  1 32 ARG H    5.680 . 5.680 5.070 4.909 5.240     .  0 0 "[    .    1    .    2]" 1 
       281 1 32 ARG H    1 34 ARG H    5.180 . 5.180 3.725 3.512 3.975     .  0 0 "[    .    1    .    2]" 1 
       282 1 32 ARG H    1 35 GLY H    5.750 . 5.750 4.523 4.278 4.734     .  0 0 "[    .    1    .    2]" 1 
       283 1  2 ASN HD22 1 35 GLY H    4.960 . 4.960 3.787 2.740 4.674     .  0 0 "[    .    1    .    2]" 1 
       284 1 37 VAL H    1 56 ARG H    5.580 . 5.580 4.824 4.187 5.241     .  0 0 "[    .    1    .    2]" 1 
       285 1 45 ILE H    1 47 LEU H    5.510 . 5.510 4.189 3.918 4.404     .  0 0 "[    .    1    .    2]" 1 
       286 1 56 ARG H    1 57 GLU H    5.330 . 5.330 4.305 4.170 4.408     .  0 0 "[    .    1    .    2]" 1 
       287 1 57 GLU H    1 58 LEU H    4.950 . 4.950 4.486 4.422 4.546     .  0 0 "[    .    1    .    2]" 1 
       288 1 31 TRP HA   1 31 TRP HD1  3.510 . 3.510 2.348 2.274 2.456     .  0 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              368
    _Distance_constraint_stats_list.Viol_count                    579
    _Distance_constraint_stats_list.Viol_total                    1635.809
    _Distance_constraint_stats_list.Viol_max                      0.459
    _Distance_constraint_stats_list.Viol_rms                      0.0475
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0111
    _Distance_constraint_stats_list.Viol_average_violations_only  0.1413
    _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  1 MET  0.099 0.081 20 0 "[    .    1    .    2]" 
       1  2 ASN  0.302 0.095 10 0 "[    .    1    .    2]" 
       1  3 ALA  0.621 0.165 15 0 "[    .    1    .    2]" 
       1  4 ILE  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  5 ASP  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  6 ILE  0.669 0.136 20 0 "[    .    1    .    2]" 
       1  7 ALA  5.308 0.404 12 0 "[    .    1    .    2]" 
       1  8 ILE  0.000 0.000  . 0 "[    .    1    .    2]" 
       1  9 ASN  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 10 LYS  4.617 0.246  7 0 "[    .    1    .    2]" 
       1 11 LEU  5.308 0.404 12 0 "[    .    1    .    2]" 
       1 12 GLY  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 13 SER  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 14 VAL  8.303 0.422 17 0 "[    .    1    .    2]" 
       1 15 SER  2.423 0.225  9 0 "[    .    1    .    2]" 
       1 16 ALA  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 17 LEU 18.182 0.422 17 0 "[    .    1    .    2]" 
       1 18 ALA  4.411 0.305 17 0 "[    .    1    .    2]" 
       1 19 ALA  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 20 ALA  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 21 LEU 10.591 0.249 18 0 "[    .    1    .    2]" 
       1 22 GLY  2.370 0.190  6 0 "[    .    1    .    2]" 
       1 23 VAL 12.612 0.398 16 0 "[    .    1    .    2]" 
       1 24 ASN  0.655 0.195 13 0 "[    .    1    .    2]" 
       1 25 GLN  3.209 0.225  9 0 "[    .    1    .    2]" 
       1 26 SER  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 27 ALA  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 28 ILE  6.979 0.398 16 0 "[    .    1    .    2]" 
       1 29 SER  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 30 GLN  0.233 0.150 11 0 "[    .    1    .    2]" 
       1 31 TRP  8.458 0.325 20 0 "[    .    1    .    2]" 
       1 32 ARG  1.737 0.230  4 0 "[    .    1    .    2]" 
       1 33 ALA  0.040 0.040 14 0 "[    .    1    .    2]" 
       1 34 ARG  3.507 0.209 17 0 "[    .    1    .    2]" 
       1 35 GLY  0.568 0.140 11 0 "[    .    1    .    2]" 
       1 36 ARG  1.658 0.269  9 0 "[    .    1    .    2]" 
       1 37 VAL  1.563 0.178  9 0 "[    .    1    .    2]" 
       1 38 PRO  2.893 0.280 10 0 "[    .    1    .    2]" 
       1 39 ALA  1.837 0.197  5 0 "[    .    1    .    2]" 
       1 40 GLY  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 41 ARG  3.236 0.264  7 0 "[    .    1    .    2]" 
       1 42 CYS  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 43 ILE  1.871 0.264  7 0 "[    .    1    .    2]" 
       1 44 ASP  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 45 ILE  4.571 0.248  8 0 "[    .    1    .    2]" 
       1 46 GLU  0.656 0.154  4 0 "[    .    1    .    2]" 
       1 47 LEU  3.558 0.420 18 0 "[    .    1    .    2]" 
       1 48 TYR 10.053 0.420 18 0 "[    .    1    .    2]" 
       1 49 THR  0.656 0.154  4 0 "[    .    1    .    2]" 
       1 50 ASP  0.766 0.136 20 0 "[    .    1    .    2]" 
       1 52 ARG  0.097 0.097  3 0 "[    .    1    .    2]" 
       1 53 VAL  1.203 0.164 15 0 "[    .    1    .    2]" 
       1 54 GLU  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 55 CYS  0.724 0.164 15 0 "[    .    1    .    2]" 
       1 56 ARG  0.344 0.165 15 0 "[    .    1    .    2]" 
       1 57 GLU  1.432 0.178  9 0 "[    .    1    .    2]" 
       1 58 LEU  3.225 0.269  9 0 "[    .    1    .    2]" 
       1 59 ARG  7.378 0.459 12 0 "[    .    1    .    2]" 
       1 60 PRO  7.406 0.459 12 0 "[    .    1    .    2]" 
       1 61 ASP  1.361 0.196 19 0 "[    .    1    .    2]" 
       1 62 VAL  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 63 PHE  0.082 0.072 20 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 28 ILE MD   1 28 ILE MG   . . 3.710 2.015 1.987 2.039     .  0 0 "[    .    1    .    2]" 2 
         2 1  1 MET QB   1  6 ILE MD   . . 4.610 2.957 1.939 4.553     .  0 0 "[    .    1    .    2]" 2 
         3 1  8 ILE MG   1 14 VAL MG2  . . 3.540 1.954 1.835 2.123     .  0 0 "[    .    1    .    2]" 2 
         4 1  8 ILE HA   1  8 ILE MG   . . 3.720 2.506 2.447 2.573     .  0 0 "[    .    1    .    2]" 2 
         5 1  8 ILE MG   1 14 VAL HA   . . 4.300 3.169 2.826 3.377     .  0 0 "[    .    1    .    2]" 2 
         6 1  8 ILE MG   1 13 SER HA   . . 4.160 2.858 2.536 3.275     .  0 0 "[    .    1    .    2]" 2 
         7 1  6 ILE MD   1  6 ILE MG   . . 3.720 2.101 2.018 2.210     .  0 0 "[    .    1    .    2]" 2 
         8 1  4 ILE HA   1 45 ILE MG   . . 4.740 2.350 2.013 2.569     .  0 0 "[    .    1    .    2]" 2 
         9 1 42 CYS HA   1 45 ILE MG   . . 4.140 3.730 3.381 3.964     .  0 0 "[    .    1    .    2]" 2 
        10 1 23 VAL MG2  1 28 ILE MD   . . 3.640 2.047 1.991 2.127     .  0 0 "[    .    1    .    2]" 2 
        11 1 23 VAL MG2  1 31 TRP HH2  . . 4.420 2.700 2.351 2.917     .  0 0 "[    .    1    .    2]" 2 
        12 1 23 VAL MG2  1 31 TRP HZ2  . . 4.910 3.825 3.615 4.045     .  0 0 "[    .    1    .    2]" 2 
        13 1 23 VAL MG2  1 28 ILE MG   . . 4.020 4.369 4.265 4.418 0.398 16 0 "[    .    1    .    2]" 2 
        14 1 14 VAL HA   1 28 ILE MG   . . 4.350 3.085 2.772 3.360     .  0 0 "[    .    1    .    2]" 2 
        15 1 23 VAL MG1  1 31 TRP HH2  . . 4.000 1.862 1.462 2.153     .  0 0 "[    .    1    .    2]" 2 
        16 1 23 VAL MG1  1 31 TRP HZ2  . . 4.140 2.476 2.106 2.850     .  0 0 "[    .    1    .    2]" 2 
        17 1  3 ALA MB   1 53 VAL MG2  . . 3.650 3.061 2.155 3.682 0.032  7 0 "[    .    1    .    2]" 2 
        18 1  3 ALA MB   1 53 VAL MG1  . . 3.630 2.439 1.883 2.841     .  0 0 "[    .    1    .    2]" 2 
        19 1  4 ILE HA   1  4 ILE MG   . . 3.660 2.408 2.368 2.444     .  0 0 "[    .    1    .    2]" 2 
        20 1 23 VAL MG1  1 31 TRP HE3  . . 4.910 5.152 5.071 5.235 0.325 20 0 "[    .    1    .    2]" 2 
        21 1  3 ALA HA   1 53 VAL MG2  . . 4.180 3.689 3.106 4.308 0.128 11 0 "[    .    1    .    2]" 2 
        22 1  3 ALA HA   1 53 VAL MG1  . . 4.000 2.004 1.746 2.282     .  0 0 "[    .    1    .    2]" 2 
        23 1 53 VAL HA   1 53 VAL MG2  . . 3.650 2.447 2.379 2.534     .  0 0 "[    .    1    .    2]" 2 
        24 1 53 VAL MG1  1 55 CYS HA   . . 4.320 4.065 3.044 4.484 0.164 15 0 "[    .    1    .    2]" 2 
        25 1 53 VAL MG2  1 55 CYS HA   . . 4.770 4.042 3.574 4.746     .  0 0 "[    .    1    .    2]" 2 
        26 1  2 ASN HA   1 53 VAL MG1  . . 4.330 3.730 3.037 4.425 0.095 10 0 "[    .    1    .    2]" 2 
        27 1  2 ASN HA   1 53 VAL MG2  . . 4.700 3.230 2.625 3.985     .  0 0 "[    .    1    .    2]" 2 
        28 1 14 VAL HA   1 14 VAL MG1  . . 3.440 2.643 2.560 2.736     .  0 0 "[    .    1    .    2]" 2 
        29 1 14 VAL MG1  1 15 SER HA   . . 4.210 3.491 3.359 3.682     .  0 0 "[    .    1    .    2]" 2 
        30 1 14 VAL MG1  1 18 ALA MB   . . 4.080 2.762 2.574 2.866     .  0 0 "[    .    1    .    2]" 2 
        31 1 37 VAL MG2  1 57 GLU HG3  . . 4.620 4.483 3.968 4.654 0.034  9 0 "[    .    1    .    2]" 2 
        32 1 37 VAL MG2  1 39 ALA HA   . . 4.610 4.335 4.067 4.585     .  0 0 "[    .    1    .    2]" 2 
        33 1  7 ALA MB   1 11 LEU MD2  . . 3.830 4.061 3.146 4.234 0.404 12 0 "[    .    1    .    2]" 2 
        34 1 11 LEU HA   1 11 LEU MD2  . . 3.290 2.193 2.114 2.462     .  0 0 "[    .    1    .    2]" 2 
        35 1 11 LEU MD2  1 17 LEU HA   . . 4.870 4.488 3.472 4.676     .  0 0 "[    .    1    .    2]" 2 
        36 1 11 LEU MD2  1 48 TYR QE   . . 4.080 3.237 2.968 3.525     .  0 0 "[    .    1    .    2]" 2 
        37 1 11 LEU MD2  1 48 TYR QD   . . 4.180 2.795 2.624 2.968     .  0 0 "[    .    1    .    2]" 2 
        38 1 11 LEU HA   1 11 LEU MD1  . . 4.350 3.713 2.280 3.843     .  0 0 "[    .    1    .    2]" 2 
        39 1 11 LEU MD1  1 48 TYR QE   . . 4.560 2.893 2.661 4.170     .  0 0 "[    .    1    .    2]" 2 
        40 1 11 LEU MD1  1 48 TYR QD   . . 4.740 3.387 3.054 4.583     .  0 0 "[    .    1    .    2]" 2 
        41 1 45 ILE MG   1 49 THR MG   . . 3.270 2.412 2.176 3.034     .  0 0 "[    .    1    .    2]" 2 
        42 1  7 ALA MB   1 49 THR MG   . . 3.550 2.476 2.194 2.830     .  0 0 "[    .    1    .    2]" 2 
        43 1  6 ILE HB   1 49 THR MG   . . 3.720 2.069 1.921 2.318     .  0 0 "[    .    1    .    2]" 2 
        44 1  6 ILE MG   1 49 THR MG   . . 3.590 2.087 1.855 2.296     .  0 0 "[    .    1    .    2]" 2 
        45 1  3 ALA HA   1 49 THR MG   . . 4.090 2.198 1.830 2.562     .  0 0 "[    .    1    .    2]" 2 
        46 1 14 VAL MG2  1 17 LEU HG   . . 4.740 5.041 4.957 5.162 0.422 17 0 "[    .    1    .    2]" 2 
        47 1 14 VAL MG2  1 28 ILE MG   . . 3.000 2.153 1.929 2.426     .  0 0 "[    .    1    .    2]" 2 
        48 1 14 VAL HA   1 14 VAL MG2  . . 3.490 2.286 2.212 2.346     .  0 0 "[    .    1    .    2]" 2 
        49 1 21 LEU MD2  1 44 ASP QB   . . 3.530 1.926 1.786 2.317     .  0 0 "[    .    1    .    2]" 2 
        50 1 21 LEU MD2  1 45 ILE HA   . . 4.800 3.526 3.188 3.949     .  0 0 "[    .    1    .    2]" 2 
        51 1 21 LEU HA   1 21 LEU MD2  . . 3.440 2.035 1.997 2.097     .  0 0 "[    .    1    .    2]" 2 
        52 1 21 LEU MD2  1 31 TRP HH2  . . 4.470 4.432 4.052 4.590 0.120 11 0 "[    .    1    .    2]" 2 
        53 1 21 LEU MD2  1 48 TYR QD   . . 4.690 3.906 3.485 4.413     .  0 0 "[    .    1    .    2]" 2 
        54 1 21 LEU MD1  1 28 ILE MD   . . 3.950 1.872 1.821 1.947     .  0 0 "[    .    1    .    2]" 2 
        55 1 21 LEU MD1  1 45 ILE MG   . . 3.860 4.037 3.924 4.108 0.248  8 0 "[    .    1    .    2]" 2 
        56 1 17 LEU HG   1 21 LEU MD1  . . 3.730 1.951 1.897 2.008     .  0 0 "[    .    1    .    2]" 2 
        57 1 21 LEU MD1  1 44 ASP QB   . . 4.600 3.985 3.841 4.569     .  0 0 "[    .    1    .    2]" 2 
        58 1 21 LEU HA   1 21 LEU MD1  . . 4.650 3.905 3.874 3.939     .  0 0 "[    .    1    .    2]" 2 
        59 1 21 LEU MD1  1 31 TRP HH2  . . 4.360 3.681 3.542 3.980     .  0 0 "[    .    1    .    2]" 2 
        60 1 17 LEU MD2  1 28 ILE MD   . . 3.960 2.541 2.216 2.726     .  0 0 "[    .    1    .    2]" 2 
        61 1 17 LEU HB3  1 17 LEU MD2  . . 3.630 2.388 2.358 2.413     .  0 0 "[    .    1    .    2]" 2 
        62 1  8 ILE HA   1 17 LEU MD2  . . 4.460 2.508 2.205 2.809     .  0 0 "[    .    1    .    2]" 2 
        63 1 58 LEU HA   1 58 LEU MD2  . . 3.360 2.132 2.012 2.314     .  0 0 "[    .    1    .    2]" 2 
        64 1 36 ARG QG   1 58 LEU MD2  . . 3.300 2.852 2.034 3.360 0.060 10 0 "[    .    1    .    2]" 2 
        65 1 37 VAL MG1  1 45 ILE MD   . . 3.230 1.775 1.611 2.008     .  0 0 "[    .    1    .    2]" 2 
        66 1 37 VAL HA   1 37 VAL MG1  . . 3.610 2.399 2.339 2.510     .  0 0 "[    .    1    .    2]" 2 
        67 1 36 ARG HA   1 37 VAL MG1  . . 4.800 3.603 3.343 3.807     .  0 0 "[    .    1    .    2]" 2 
        68 1 31 TRP HE3  1 37 VAL MG1  . . 3.940 2.569 2.305 2.761     .  0 0 "[    .    1    .    2]" 2 
        69 1 17 LEU MD1  1 48 TYR QD   . . 4.300 2.347 2.219 2.488     .  0 0 "[    .    1    .    2]" 2 
        70 1 17 LEU MD1  1 48 TYR QE   . . 4.830 2.390 2.238 2.592     .  0 0 "[    .    1    .    2]" 2 
        71 1 17 LEU HA   1 17 LEU MD1  . . 3.440 2.089 2.044 2.122     .  0 0 "[    .    1    .    2]" 2 
        72 1 17 LEU MD1  1 21 LEU HG   . . 4.220 2.619 2.476 2.822     .  0 0 "[    .    1    .    2]" 2 
        73 1 11 LEU MD1  1 17 LEU MD1  . . 3.630 2.246 2.026 3.495     .  0 0 "[    .    1    .    2]" 2 
        74 1 36 ARG QG   1 58 LEU MD1  . . 3.320 3.174 2.578 3.589 0.269  9 0 "[    .    1    .    2]" 2 
        75 1 58 LEU HA   1 58 LEU MD1  . . 4.550 3.935 3.899 3.976     .  0 0 "[    .    1    .    2]" 2 
        76 1 23 VAL MG2  1 27 ALA MB   . . 3.870 2.501 2.363 2.757     .  0 0 "[    .    1    .    2]" 2 
        77 1 23 VAL HB   1 27 ALA MB   . . 3.740 2.270 2.025 2.784     .  0 0 "[    .    1    .    2]" 2 
        78 1 39 ALA MB   1 59 ARG HA   . . 4.940 3.305 2.527 3.901     .  0 0 "[    .    1    .    2]" 2 
        79 1 17 LEU MD2  1 18 ALA MB   . . 4.320 4.519 4.385 4.625 0.305 17 0 "[    .    1    .    2]" 2 
        80 1 18 ALA MB   1 23 VAL MG2  . . 4.040 2.324 2.113 2.498     .  0 0 "[    .    1    .    2]" 2 
        81 1 18 ALA MB   1 28 ILE MD   . . 4.410 2.831 2.627 3.091     .  0 0 "[    .    1    .    2]" 2 
        82 1 18 ALA MB   1 25 GLN HG3  . . 4.570 2.979 2.237 4.535     .  0 0 "[    .    1    .    2]" 2 
        83 1 18 ALA MB   1 19 ALA HA   . . 4.750 3.992 3.952 4.070     .  0 0 "[    .    1    .    2]" 2 
        84 1  3 ALA MB   1 55 CYS HA   . . 3.530 2.123 1.869 2.490     .  0 0 "[    .    1    .    2]" 2 
        85 1 30 GLN QB   1 33 ALA MB   . . 4.850 4.422 3.859 4.890 0.040 14 0 "[    .    1    .    2]" 2 
        86 1  7 ALA MB   1 17 LEU MD2  . . 3.260 2.347 2.238 2.448     .  0 0 "[    .    1    .    2]" 2 
        87 1  7 ALA MB   1 17 LEU MD1  . . 3.780 2.058 1.987 2.175     .  0 0 "[    .    1    .    2]" 2 
        88 1  7 ALA MB   1 48 TYR HB3  . . 4.270 3.099 2.776 3.373     .  0 0 "[    .    1    .    2]" 2 
        89 1  7 ALA MB   1 48 TYR QD   . . 4.190 1.804 1.643 1.957     .  0 0 "[    .    1    .    2]" 2 
        90 1 39 ALA MB   1 57 GLU QB   . . 4.420 3.924 3.430 4.271     .  0 0 "[    .    1    .    2]" 2 
        91 1 36 ARG HD3  1 58 LEU MD2  . . 4.280 2.986 1.787 3.871     .  0 0 "[    .    1    .    2]" 2 
        92 1 31 TRP HB3  1 37 VAL MG1  . . 4.090 2.120 1.821 2.806     .  0 0 "[    .    1    .    2]" 2 
        93 1 31 TRP HZ3  1 37 VAL MG1  . . 5.330 3.705 3.432 4.034     .  0 0 "[    .    1    .    2]" 2 
        94 1 21 LEU MD1  1 31 TRP HE3  . . 5.140 3.054 2.819 3.339     .  0 0 "[    .    1    .    2]" 2 
        95 1 21 LEU MD1  1 48 TYR QD   . . 5.230 4.109 3.881 4.345     .  0 0 "[    .    1    .    2]" 2 
        96 1 21 LEU MD2  1 31 TRP HZ3  . . 3.690 3.428 3.057 3.671     .  0 0 "[    .    1    .    2]" 2 
        97 1 21 LEU MD2  1 48 TYR QE   . . 3.780 2.610 2.232 3.177     .  0 0 "[    .    1    .    2]" 2 
        98 1 21 LEU MD1  1 31 TRP HZ3  . . 3.620 1.706 1.597 1.863     .  0 0 "[    .    1    .    2]" 2 
        99 1 21 LEU MD1  1 48 TYR QE   . . 3.630 3.590 3.278 3.705 0.075 18 0 "[    .    1    .    2]" 2 
       100 1 45 ILE MG   1 48 TYR QD   . . 5.300 3.648 3.324 3.855     .  0 0 "[    .    1    .    2]" 2 
       101 1 23 VAL MG2  1 31 TRP HZ3  . . 5.180 2.909 2.604 3.182     .  0 0 "[    .    1    .    2]" 2 
       102 1  4 ILE MG   1 31 TRP HB3  . . 4.610 2.819 2.308 3.179     .  0 0 "[    .    1    .    2]" 2 
       103 1  7 ALA HA   1 49 THR MG   . . 4.580 3.291 2.931 3.735     .  0 0 "[    .    1    .    2]" 2 
       104 1  1 MET HA   1  1 MET QG   . . 3.980 2.671 2.429 3.558     .  0 0 "[    .    1    .    2]" 2 
       105 1  3 ALA MB   1 56 ARG QD   . . 4.870 4.230 3.336 5.035 0.165 15 0 "[    .    1    .    2]" 2 
       106 1  4 ILE HA   1  7 ALA MB   . . 4.090 2.873 2.610 3.023     .  0 0 "[    .    1    .    2]" 2 
       107 1  6 ILE HA   1  9 ASN QB   . . 4.240 2.690 2.085 3.098     .  0 0 "[    .    1    .    2]" 2 
       108 1 15 SER HA   1 25 GLN QB   . . 4.630 4.183 3.462 4.447     .  0 0 "[    .    1    .    2]" 2 
       109 1 15 SER HA   1 18 ALA MB   . . 3.600 3.141 2.874 3.346     .  0 0 "[    .    1    .    2]" 2 
       110 1 15 SER QB   1 25 GLN QB   . . 4.500 4.599 4.500 4.725 0.225  9 0 "[    .    1    .    2]" 2 
       111 1 15 SER QB   1 18 ALA MB   . . 4.720 4.633 4.338 4.854 0.134  9 0 "[    .    1    .    2]" 2 
       112 1 14 VAL MG1  1 15 SER QB   . . 4.790 4.360 4.164 4.714     .  0 0 "[    .    1    .    2]" 2 
       113 1 11 LEU MD1  1 17 LEU HA   . . 3.470 1.700 1.499 2.950     .  0 0 "[    .    1    .    2]" 2 
       114 1 18 ALA HA   1 23 VAL MG2  . . 3.570 2.330 2.225 2.484     .  0 0 "[    .    1    .    2]" 2 
       115 1 21 LEU HB3  1 23 VAL MG2  . . 3.980 2.743 2.601 2.871     .  0 0 "[    .    1    .    2]" 2 
       116 1 23 VAL HA   1 23 VAL MG1  . . 3.410 2.407 2.350 2.448     .  0 0 "[    .    1    .    2]" 2 
       117 1 18 ALA MB   1 24 ASN HA   . . 4.340 3.135 2.651 3.505     .  0 0 "[    .    1    .    2]" 2 
       118 1 14 VAL MG1  1 25 GLN HA   . . 4.300 2.233 1.999 2.403     .  0 0 "[    .    1    .    2]" 2 
       119 1 18 ALA MB   1 25 GLN HA   . . 3.740 2.433 2.201 2.616     .  0 0 "[    .    1    .    2]" 2 
       120 1 27 ALA HA   1 30 GLN QB   . . 3.900 2.662 2.340 3.197     .  0 0 "[    .    1    .    2]" 2 
       121 1 30 GLN HA   1 33 ALA MB   . . 4.030 2.730 2.279 3.148     .  0 0 "[    .    1    .    2]" 2 
       122 1 30 GLN QB   1 31 TRP HD1  . . 3.770 3.298 2.904 3.814 0.044 11 0 "[    .    1    .    2]" 2 
       123 1 36 ARG HB3  1 58 LEU MD1  . . 5.020 3.950 2.445 5.202 0.182 17 0 "[    .    1    .    2]" 2 
       124 1 36 ARG HB3  1 58 LEU MD2  . . 4.890 3.726 2.309 4.493     .  0 0 "[    .    1    .    2]" 2 
       125 1 38 PRO HA   1 58 LEU MD1  . . 4.420 2.563 1.940 3.606     .  0 0 "[    .    1    .    2]" 2 
       126 1 37 VAL MG1  1 38 PRO HD3  . . 5.340 3.895 3.613 4.263     .  0 0 "[    .    1    .    2]" 2 
       127 1 39 ALA HA   1 57 GLU QB   . . 3.650 2.370 1.765 2.836     .  0 0 "[    .    1    .    2]" 2 
       128 1 41 ARG HA   1 43 ILE MG   . . 5.320 5.412 5.286 5.584 0.264  7 0 "[    .    1    .    2]" 2 
       129 1 37 VAL MG2  1 42 CYS HA   . . 4.490 2.665 2.236 3.183     .  0 0 "[    .    1    .    2]" 2 
       130 1 43 ILE HA   1 46 GLU QB   . . 4.130 2.988 2.575 3.467     .  0 0 "[    .    1    .    2]" 2 
       131 1 45 ILE HA   1 48 TYR QD   . . 4.090 2.305 2.025 2.534     .  0 0 "[    .    1    .    2]" 2 
       132 1 45 ILE HA   1 48 TYR QE   . . 5.130 3.450 3.226 3.663     .  0 0 "[    .    1    .    2]" 2 
       133 1 46 GLU HA   1 49 THR MG   . . 4.200 3.552 3.152 3.815     .  0 0 "[    .    1    .    2]" 2 
       134 1 47 LEU HA   1 48 TYR QD   . . 5.330 4.878 4.520 5.220     .  0 0 "[    .    1    .    2]" 2 
       135 1  6 ILE MG   1 49 THR HB   . . 3.620 3.220 2.905 3.547     .  0 0 "[    .    1    .    2]" 2 
       136 1 37 VAL MG2  1 57 GLU HA   . . 4.080 2.253 1.973 2.518     .  0 0 "[    .    1    .    2]" 2 
       137 1 60 PRO HA   1 63 PHE QD   . . 5.400 4.431 2.592 5.472 0.072 20 0 "[    .    1    .    2]" 2 
       138 1 39 ALA MB   1 60 PRO HA   . . 4.280 2.643 2.180 3.265     .  0 0 "[    .    1    .    2]" 2 
       139 1 49 THR H    1 49 THR MG   . . 3.760 2.687 2.445 3.011     .  0 0 "[    .    1    .    2]" 2 
       140 1  8 ILE MG   1 13 SER H    . . 4.590 3.896 3.524 4.420     .  0 0 "[    .    1    .    2]" 2 
       141 1 13 SER H    1 16 ALA MB   . . 3.970 2.996 2.405 3.413     .  0 0 "[    .    1    .    2]" 2 
       142 1 19 ALA MB   1 22 GLY H    . . 4.970 4.634 4.526 4.798     .  0 0 "[    .    1    .    2]" 2 
       143 1 21 LEU MD1  1 22 GLY H    . . 5.060 5.178 5.046 5.250 0.190  6 0 "[    .    1    .    2]" 2 
       144 1 22 GLY H    1 23 VAL MG2  . . 5.300 3.806 3.676 3.971     .  0 0 "[    .    1    .    2]" 2 
       145 1 40 GLY H    1 57 GLU QB   . . 4.410 2.973 2.490 3.418     .  0 0 "[    .    1    .    2]" 2 
       146 1 39 ALA MB   1 40 GLY H    . . 3.710 3.014 2.674 3.373     .  0 0 "[    .    1    .    2]" 2 
       147 1 23 VAL H    1 23 VAL MG2  . . 3.610 2.207 2.108 2.371     .  0 0 "[    .    1    .    2]" 2 
       148 1 23 VAL H    1 23 VAL MG1  . . 4.150 2.957 2.721 3.136     .  0 0 "[    .    1    .    2]" 2 
       149 1 18 ALA MB   1 23 VAL H    . . 5.130 3.484 3.303 3.712     .  0 0 "[    .    1    .    2]" 2 
       150 1 28 ILE H    1 28 ILE MG   . . 4.260 3.803 3.788 3.827     .  0 0 "[    .    1    .    2]" 2 
       151 1 23 VAL MG2  1 28 ILE H    . . 4.680 3.529 3.306 3.896     .  0 0 "[    .    1    .    2]" 2 
       152 1 14 VAL MG2  1 15 SER H    . . 4.780 4.132 4.060 4.213     .  0 0 "[    .    1    .    2]" 2 
       153 1 14 VAL MG1  1 15 SER H    . . 4.320 3.494 3.275 3.691     .  0 0 "[    .    1    .    2]" 2 
       154 1 26 SER H    1 26 SER QB   . . 2.880 2.434 2.240 2.672     .  0 0 "[    .    1    .    2]" 2 
       155 1 25 GLN QB   1 26 SER H    . . 3.310 2.802 2.609 2.938     .  0 0 "[    .    1    .    2]" 2 
       156 1 37 VAL MG2  1 41 ARG H    . . 4.490 3.507 3.139 4.053     .  0 0 "[    .    1    .    2]" 2 
       157 1  3 ALA MB   1  4 ILE H    . . 3.470 2.605 2.471 2.995     .  0 0 "[    .    1    .    2]" 2 
       158 1 33 ALA MB   1 34 ARG H    . . 3.730 2.892 2.683 3.143     .  0 0 "[    .    1    .    2]" 2 
       159 1 21 LEU H    1 22 GLY QA   . . 4.630 4.295 4.156 4.456     .  0 0 "[    .    1    .    2]" 2 
       160 1 20 ALA MB   1 21 LEU H    . . 3.610 2.768 2.555 2.968     .  0 0 "[    .    1    .    2]" 2 
       161 1 21 LEU H    1 23 VAL MG2  . . 5.180 3.878 3.736 4.043     .  0 0 "[    .    1    .    2]" 2 
       162 1 17 LEU MD1  1 21 LEU H    . . 5.370 4.275 4.067 4.445     .  0 0 "[    .    1    .    2]" 2 
       163 1 24 ASN H    1 27 ALA MB   . . 4.120 2.701 2.324 3.076     .  0 0 "[    .    1    .    2]" 2 
       164 1 23 VAL MG1  1 24 ASN H    . . 4.330 3.622 3.450 3.720     .  0 0 "[    .    1    .    2]" 2 
       165 1 23 VAL MG2  1 24 ASN H    . . 4.190 3.143 2.917 3.279     .  0 0 "[    .    1    .    2]" 2 
       166 1 11 LEU H    1 11 LEU MD2  . . 4.370 2.865 2.224 3.108     .  0 0 "[    .    1    .    2]" 2 
       167 1 11 LEU H    1 11 LEU MD1  . . 5.010 4.067 3.918 4.174     .  0 0 "[    .    1    .    2]" 2 
       168 1  9 ASN H    1  9 ASN QB   . . 3.300 2.405 2.210 2.528     .  0 0 "[    .    1    .    2]" 2 
       169 1 32 ARG H    1 32 ARG QB   . . 3.080 2.260 2.189 2.379     .  0 0 "[    .    1    .    2]" 2 
       170 1  4 ILE MG   1 32 ARG H    . . 4.200 3.043 2.729 3.588     .  0 0 "[    .    1    .    2]" 2 
       171 1 28 ILE MG   1 32 ARG H    . . 4.730 4.117 3.973 4.323     .  0 0 "[    .    1    .    2]" 2 
       172 1  7 ALA MB   1  8 ILE H    . . 3.770 2.736 2.617 2.854     .  0 0 "[    .    1    .    2]" 2 
       173 1 43 ILE H    1 43 ILE MG   . . 3.890 3.799 3.767 3.826     .  0 0 "[    .    1    .    2]" 2 
       174 1 44 ASP QB   1 45 ILE H    . . 3.630 2.444 2.332 2.806     .  0 0 "[    .    1    .    2]" 2 
       175 1 18 ALA MB   1 19 ALA H    . . 3.630 2.637 2.496 2.764     .  0 0 "[    .    1    .    2]" 2 
       176 1 19 ALA H    1 19 ALA MB   . . 3.290 2.242 2.226 2.257     .  0 0 "[    .    1    .    2]" 2 
       177 1  6 ILE H    1  6 ILE MG   . . 4.440 3.800 3.744 3.831     .  0 0 "[    .    1    .    2]" 2 
       178 1 46 GLU QB   1 47 LEU H    . . 4.300 2.820 2.591 3.049     .  0 0 "[    .    1    .    2]" 2 
       179 1  3 ALA H    1  3 ALA MB   . . 3.260 2.219 2.186 2.240     .  0 0 "[    .    1    .    2]" 2 
       180 1 49 THR MG   1 50 ASP H    . . 4.930 4.328 4.235 4.413     .  0 0 "[    .    1    .    2]" 2 
       181 1  6 ILE MG   1 50 ASP H    . . 4.900 4.834 4.209 5.036 0.136 20 0 "[    .    1    .    2]" 2 
       182 1 44 ASP H    1 44 ASP QB   . . 3.350 2.591 2.287 2.716     .  0 0 "[    .    1    .    2]" 2 
       183 1 57 GLU H    1 57 GLU QB   . . 3.320 3.015 2.859 3.160     .  0 0 "[    .    1    .    2]" 2 
       184 1 32 ARG QB   1 33 ALA H    . . 3.600 2.649 2.241 3.576     .  0 0 "[    .    1    .    2]" 2 
       185 1 33 ALA H    1 33 ALA MB   . . 3.280 2.266 2.240 2.302     .  0 0 "[    .    1    .    2]" 2 
       186 1 17 LEU H    1 17 LEU MD2  . . 4.600 4.369 4.328 4.419     .  0 0 "[    .    1    .    2]" 2 
       187 1 17 LEU H    1 17 LEU MD1  . . 4.700 4.161 4.115 4.191     .  0 0 "[    .    1    .    2]" 2 
       188 1 16 ALA MB   1 17 LEU H    . . 3.610 2.616 2.513 2.760     .  0 0 "[    .    1    .    2]" 2 
       189 1 61 ASP H    1 61 ASP QB   . . 3.790 2.433 2.202 3.350     .  0 0 "[    .    1    .    2]" 2 
       190 1  9 ASN QB   1 10 LYS H    . . 3.890 2.792 2.562 3.026     .  0 0 "[    .    1    .    2]" 2 
       191 1 20 ALA H    1 20 ALA MB   . . 3.120 2.254 2.237 2.280     .  0 0 "[    .    1    .    2]" 2 
       192 1 11 LEU MD1  1 20 ALA H    . . 5.680 4.062 3.757 4.423     .  0 0 "[    .    1    .    2]" 2 
       193 1 17 LEU MD1  1 20 ALA H    . . 5.830 4.580 4.450 4.682     .  0 0 "[    .    1    .    2]" 2 
       194 1 20 ALA H    1 21 LEU MD1  . . 6.000 5.223 5.070 5.356     .  0 0 "[    .    1    .    2]" 2 
       195 1 18 ALA MB   1 20 ALA H    . . 5.230 4.549 4.444 4.681     .  0 0 "[    .    1    .    2]" 2 
       196 1 25 GLN H    1 25 GLN QB   . . 3.010 2.448 2.322 2.841     .  0 0 "[    .    1    .    2]" 2 
       197 1 18 ALA MB   1 25 GLN H    . . 3.970 3.501 3.335 3.777     .  0 0 "[    .    1    .    2]" 2 
       198 1 30 GLN QB   1 31 TRP H    . . 3.530 2.593 2.325 2.838     .  0 0 "[    .    1    .    2]" 2 
       199 1 18 ALA H    1 18 ALA MB   . . 3.280 2.220 2.190 2.254     .  0 0 "[    .    1    .    2]" 2 
       200 1 18 ALA H    1 28 ILE MG   . . 4.870 4.387 4.181 4.590     .  0 0 "[    .    1    .    2]" 2 
       201 1 18 ALA H    1 23 VAL MG2  . . 5.610 4.529 4.304 4.689     .  0 0 "[    .    1    .    2]" 2 
       202 1 14 VAL H    1 14 VAL MG2  . . 3.290 2.571 2.402 2.745     .  0 0 "[    .    1    .    2]" 2 
       203 1 14 VAL H    1 14 VAL MG1  . . 4.060 3.730 3.684 3.780     .  0 0 "[    .    1    .    2]" 2 
       204 1  8 ILE MG   1 14 VAL H    . . 4.090 2.993 2.817 3.193     .  0 0 "[    .    1    .    2]" 2 
       205 1 39 ALA H    1 39 ALA MB   . . 3.250 2.217 2.193 2.238     .  0 0 "[    .    1    .    2]" 2 
       206 1 39 ALA H    1 58 LEU MD1  . . 5.050 4.311 3.683 5.171 0.121  2 0 "[    .    1    .    2]" 2 
       207 1 58 LEU MD2  1 59 ARG H    . . 4.240 3.505 3.245 3.851     .  0 0 "[    .    1    .    2]" 2 
       208 1 57 GLU QB   1 58 LEU H    . . 4.260 2.417 2.272 2.659     .  0 0 "[    .    1    .    2]" 2 
       209 1 39 ALA MB   1 58 LEU H    . . 4.200 4.254 3.947 4.397 0.197  5 0 "[    .    1    .    2]" 2 
       210 1 63 PHE H    1 63 PHE QD   . . 5.290 3.650 2.213 4.519     .  0 0 "[    .    1    .    2]" 2 
       211 1 30 GLN H    1 30 GLN QB   . . 3.210 2.313 2.173 2.569     .  0 0 "[    .    1    .    2]" 2 
       212 1 30 GLN H    1 32 ARG QB   . . 5.230 4.837 4.568 5.380 0.150 11 0 "[    .    1    .    2]" 2 
       213 1 27 ALA MB   1 30 GLN H    . . 5.650 4.611 4.442 4.696     .  0 0 "[    .    1    .    2]" 2 
       214 1  7 ALA H    1  7 ALA MB   . . 3.340 2.272 2.247 2.310     .  0 0 "[    .    1    .    2]" 2 
       215 1  6 ILE MG   1  7 ALA H    . . 4.390 3.546 3.328 3.796     .  0 0 "[    .    1    .    2]" 2 
       216 1 16 ALA H    1 16 ALA MB   . . 3.330 2.271 2.244 2.298     .  0 0 "[    .    1    .    2]" 2 
       217 1 27 ALA H    1 27 ALA MB   . . 3.320 2.270 2.249 2.289     .  0 0 "[    .    1    .    2]" 2 
       218 1 54 GLU H    1 54 GLU QG   . . 4.540 3.262 1.930 4.060     .  0 0 "[    .    1    .    2]" 2 
       219 1 54 GLU H    1 54 GLU QB   . . 3.240 2.381 2.185 2.622     .  0 0 "[    .    1    .    2]" 2 
       220 1 53 VAL MG2  1 54 GLU H    . . 3.900 2.343 2.064 2.696     .  0 0 "[    .    1    .    2]" 2 
       221 1 54 GLU QG   1 55 CYS H    . . 4.600 3.774 2.621 4.515     .  0 0 "[    .    1    .    2]" 2 
       222 1 54 GLU QB   1 55 CYS H    . . 4.040 3.604 2.798 3.996     .  0 0 "[    .    1    .    2]" 2 
       223 1  3 ALA MB   1 55 CYS H    . . 4.930 3.756 3.291 4.065     .  0 0 "[    .    1    .    2]" 2 
       224 1 27 ALA MB   1 31 TRP HE1  . . 4.130 3.510 3.168 3.973     .  0 0 "[    .    1    .    2]" 2 
       225 1  3 ALA MB   1 56 ARG H    . . 4.380 3.333 2.842 4.008     .  0 0 "[    .    1    .    2]" 2 
       226 1 56 ARG H    1 56 ARG QD   . . 4.570 2.844 1.868 4.410     .  0 0 "[    .    1    .    2]" 2 
       227 1 32 ARG QB   1 32 ARG HE   . . 3.730 2.718 2.016 3.960 0.230  4 0 "[    .    1    .    2]" 2 
       228 1 31 TRP H    1 32 ARG QB   . . 4.900 4.332 4.188 4.569     .  0 0 "[    .    1    .    2]" 2 
       229 1 29 SER H    1 29 SER QB   . . 3.610 2.444 2.226 2.685     .  0 0 "[    .    1    .    2]" 2 
       230 1 29 SER H    1 30 GLN QB   . . 5.530 4.522 4.287 4.909     .  0 0 "[    .    1    .    2]" 2 
       231 1 37 VAL H    1 37 VAL MG2  . . 3.300 2.130 1.996 2.283     .  0 0 "[    .    1    .    2]" 2 
       232 1 59 ARG H    1 59 ARG QD   . . 5.750 3.411 1.601 4.461     .  0 0 "[    .    1    .    2]" 2 
       233 1 62 VAL H    1 62 VAL MG2  . . 4.130 2.464 2.012 4.036     .  0 0 "[    .    1    .    2]" 2 
       234 1 28 ILE MG   1 29 SER H    . . 4.400 3.425 3.270 3.595     .  0 0 "[    .    1    .    2]" 2 
       235 1 14 VAL MG1  1 29 SER H    . . 4.460 3.546 3.165 3.832     .  0 0 "[    .    1    .    2]" 2 
       236 1 48 TYR H    1 49 THR MG   . . 4.600 3.929 3.748 4.110     .  0 0 "[    .    1    .    2]" 2 
       237 1 45 ILE H    1 45 ILE MG   . . 3.890 3.791 3.753 3.825     .  0 0 "[    .    1    .    2]" 2 
       238 1 29 SER QB   1 30 GLN H    . . 4.150 2.751 2.543 3.545     .  0 0 "[    .    1    .    2]" 2 
       239 1 21 LEU H    1 21 LEU MD2  . . 4.110 3.633 3.429 3.869     .  0 0 "[    .    1    .    2]" 2 
       240 1 21 LEU H    1 21 LEU MD1  . . 4.110 3.791 3.633 3.892     .  0 0 "[    .    1    .    2]" 2 
       241 1  4 ILE H    1  4 ILE MG   . . 4.080 3.842 3.818 3.871     .  0 0 "[    .    1    .    2]" 2 
       242 1  6 ILE MG   1 10 LYS H    . . 5.780 4.115 3.915 4.275     .  0 0 "[    .    1    .    2]" 2 
       243 1 37 VAL MG2  1 58 LEU H    . . 5.900 3.407 3.193 3.539     .  0 0 "[    .    1    .    2]" 2 
       244 1 63 PHE HA   1 63 PHE QD   . . 4.420 2.862 2.192 3.838     .  0 0 "[    .    1    .    2]" 2 
       245 1 48 TYR HA   1 48 TYR QD   . . 3.610 2.370 2.105 2.562     .  0 0 "[    .    1    .    2]" 2 
       246 1 47 LEU MD2  1 48 TYR QE   . . 4.160 4.167 2.515 4.580 0.420 18 0 "[    .    1    .    2]" 2 
       247 1 48 TYR HA   1 48 TYR QE   . . 4.740 4.668 4.425 4.820 0.080 13 0 "[    .    1    .    2]" 2 
       248 1 27 ALA MB   1 31 TRP HZ2  . . 4.170 3.363 3.089 3.691     .  0 0 "[    .    1    .    2]" 2 
       249 1  1 MET HA   1  2 ASN QB   . . 4.830 4.648 4.407 4.911 0.081 20 0 "[    .    1    .    2]" 2 
       250 1  2 ASN QB   1  2 ASN HD21 . . 3.000 2.158 2.113 2.236     .  0 0 "[    .    1    .    2]" 2 
       251 1  2 ASN QB   1  2 ASN HD22 . . 3.330 3.236 3.191 3.288     .  0 0 "[    .    1    .    2]" 2 
       252 1  2 ASN QB   1  3 ALA H    . . 3.060 2.350 2.044 2.573     .  0 0 "[    .    1    .    2]" 2 
       253 1  2 ASN HD21 1 35 GLY QA   . . 3.570 2.472 1.517 3.370     .  0 0 "[    .    1    .    2]" 2 
       254 1  2 ASN HD22 1 35 GLY QA   . . 3.990 3.005 2.052 3.855     .  0 0 "[    .    1    .    2]" 2 
       255 1  3 ALA MB   1 55 CYS QB   . . 4.260 2.266 1.941 2.583     .  0 0 "[    .    1    .    2]" 2 
       256 1  4 ILE MG   1 45 ILE QG   . . 4.030 3.878 3.687 3.997     .  0 0 "[    .    1    .    2]" 2 
       257 1  4 ILE QG   1 37 VAL MG1  . . 3.450 2.040 1.949 2.146     .  0 0 "[    .    1    .    2]" 2 
       258 1  4 ILE MD   1 31 TRP QB   . . 4.470 3.326 3.060 3.534     .  0 0 "[    .    1    .    2]" 2 
       259 1  4 ILE MD   1 35 GLY QA   . . 4.990 2.801 2.390 3.483     .  0 0 "[    .    1    .    2]" 2 
       260 1  5 ASP H    1  5 ASP QB   . . 3.490 2.244 2.156 2.307     .  0 0 "[    .    1    .    2]" 2 
       261 1  5 ASP QB   1  6 ILE H    . . 3.450 2.612 2.413 2.854     .  0 0 "[    .    1    .    2]" 2 
       262 1  6 ILE H    1  6 ILE QG   . . 3.300 2.307 2.163 2.450     .  0 0 "[    .    1    .    2]" 2 
       263 1  7 ALA HA   1 48 TYR QB   . . 4.880 2.307 2.127 2.496     .  0 0 "[    .    1    .    2]" 2 
       264 1  7 ALA MB   1 48 TYR QB   . . 3.680 2.179 2.074 2.432     .  0 0 "[    .    1    .    2]" 2 
       265 1  8 ILE H    1  8 ILE QG   . . 3.310 2.106 2.032 2.188     .  0 0 "[    .    1    .    2]" 2 
       266 1  8 ILE QG   1 14 VAL HA   . . 4.680 3.051 2.851 3.214     .  0 0 "[    .    1    .    2]" 2 
       267 1  8 ILE QG   1 17 LEU MD2  . . 3.440 1.984 1.889 2.098     .  0 0 "[    .    1    .    2]" 2 
       268 1  8 ILE MD   1 32 ARG QG   . . 4.520 3.375 2.305 3.864     .  0 0 "[    .    1    .    2]" 2 
       269 1  8 ILE MD   1 32 ARG QD   . . 3.790 2.392 1.860 3.679     .  0 0 "[    .    1    .    2]" 2 
       270 1 10 LYS H    1 10 LYS QB   . . 3.060 2.257 2.183 2.367     .  0 0 "[    .    1    .    2]" 2 
       271 1 10 LYS HA   1 10 LYS QD   . . 4.460 3.553 3.148 4.144     .  0 0 "[    .    1    .    2]" 2 
       272 1 10 LYS QB   1 11 LEU H    . . 3.490 2.583 2.359 2.812     .  0 0 "[    .    1    .    2]" 2 
       273 1 10 LYS QB   1 48 TYR QB   . . 2.060 2.214 2.099 2.306 0.246  7 0 "[    .    1    .    2]" 2 
       274 1 10 LYS QD   1 11 LEU H    . . 4.860 3.868 3.381 4.756     .  0 0 "[    .    1    .    2]" 2 
       275 1 10 LYS QD   1 11 LEU MD2  . . 4.530 2.250 1.793 3.222     .  0 0 "[    .    1    .    2]" 2 
       276 1 10 LYS QD   1 48 TYR HA   . . 5.220 2.411 1.872 2.909     .  0 0 "[    .    1    .    2]" 2 
       277 1 10 LYS QD   1 48 TYR QB   . . 2.070 2.140 1.990 2.245 0.175  3 0 "[    .    1    .    2]" 2 
       278 1 10 LYS QD   1 48 TYR QD   . . 4.690 2.959 2.440 3.417     .  0 0 "[    .    1    .    2]" 2 
       279 1 11 LEU H    1 11 LEU QB   . . 3.270 2.552 2.204 2.607     .  0 0 "[    .    1    .    2]" 2 
       280 1 11 LEU QB   1 12 GLY H    . . 4.000 3.163 2.873 3.512     .  0 0 "[    .    1    .    2]" 2 
       281 1 11 LEU QB   1 13 SER H    . . 4.810 2.830 2.513 3.100     .  0 0 "[    .    1    .    2]" 2 
       282 1 11 LEU MD1  1 17 LEU QB   . . 4.260 2.914 2.528 3.906     .  0 0 "[    .    1    .    2]" 2 
       283 1 13 SER QB   1 14 VAL H    . . 3.150 2.424 2.267 2.563     .  0 0 "[    .    1    .    2]" 2 
       284 1 13 SER QB   1 15 SER H    . . 3.610 2.436 2.259 2.590     .  0 0 "[    .    1    .    2]" 2 
       285 1 14 VAL MG2  1 17 LEU QB   . . 3.340 3.454 3.365 3.503 0.163  6 0 "[    .    1    .    2]" 2 
       286 1 15 SER HA   1 25 GLN QG   . . 4.450 2.362 2.092 3.619     .  0 0 "[    .    1    .    2]" 2 
       287 1 15 SER QB   1 25 GLN QG   . . 4.550 3.069 2.703 4.281     .  0 0 "[    .    1    .    2]" 2 
       288 1 16 ALA H    1 17 LEU QB   . . 5.810 4.356 4.252 4.500     .  0 0 "[    .    1    .    2]" 2 
       289 1 17 LEU QB   1 18 ALA H    . . 3.880 2.457 2.200 2.723     .  0 0 "[    .    1    .    2]" 2 
       290 1 17 LEU QB   1 21 LEU MD1  . . 3.560 3.739 3.696 3.809 0.249 18 0 "[    .    1    .    2]" 2 
       291 1 17 LEU MD1  1 45 ILE QG   . . 3.260 2.532 2.304 2.827     .  0 0 "[    .    1    .    2]" 2 
       292 1 17 LEU MD2  1 45 ILE QG   . . 3.350 3.394 3.277 3.475 0.125  6 0 "[    .    1    .    2]" 2 
       293 1 17 LEU MD2  1 48 TYR QB   . . 4.830 4.892 4.799 5.006 0.176  9 0 "[    .    1    .    2]" 2 
       294 1 18 ALA H    1 28 ILE QG   . . 4.140 3.140 2.918 3.320     .  0 0 "[    .    1    .    2]" 2 
       295 1 18 ALA MB   1 25 GLN QG   . . 3.930 2.876 2.218 3.891     .  0 0 "[    .    1    .    2]" 2 
       296 1 20 ALA H    1 21 LEU QB   . . 5.540 4.532 4.403 4.638     .  0 0 "[    .    1    .    2]" 2 
       297 1 21 LEU H    1 21 LEU QB   . . 3.250 2.391 2.330 2.438     .  0 0 "[    .    1    .    2]" 2 
       298 1 21 LEU QB   1 23 VAL H    . . 4.430 3.170 2.893 3.401     .  0 0 "[    .    1    .    2]" 2 
       299 1 21 LEU MD1  1 41 ARG QG   . . 4.150 3.027 2.700 4.278 0.128 18 0 "[    .    1    .    2]" 2 
       300 1 21 LEU MD2  1 45 ILE QG   . . 4.020 2.200 2.053 2.383     .  0 0 "[    .    1    .    2]" 2 
       301 1 23 VAL MG2  1 41 ARG QG   . . 4.220 4.220 3.876 4.345 0.125  2 0 "[    .    1    .    2]" 2 
       302 1 24 ASN H    1 24 ASN QB   . . 3.450 2.500 2.258 2.793     .  0 0 "[    .    1    .    2]" 2 
       303 1 24 ASN QB   1 25 GLN H    . . 3.080 2.473 2.164 3.275 0.195 13 0 "[    .    1    .    2]" 2 
       304 1 24 ASN QB   1 26 SER H    . . 3.620 2.822 2.129 3.580     .  0 0 "[    .    1    .    2]" 2 
       305 1 24 ASN QB   1 27 ALA H    . . 4.380 3.136 2.051 4.116     .  0 0 "[    .    1    .    2]" 2 
       306 1 25 GLN H    1 25 GLN QG   . . 3.330 3.205 1.906 3.419 0.089 15 0 "[    .    1    .    2]" 2 
       307 1 28 ILE H    1 28 ILE QG   . . 3.730 2.062 1.991 2.183     .  0 0 "[    .    1    .    2]" 2 
       308 1 28 ILE HA   1 31 TRP QB   . . 4.290 2.605 2.288 2.891     .  0 0 "[    .    1    .    2]" 2 
       309 1 30 GLN H    1 30 GLN QG   . . 4.120 3.313 2.203 4.044     .  0 0 "[    .    1    .    2]" 2 
       310 1 31 TRP H    1 31 TRP QB   . . 3.370 2.428 2.376 2.481     .  0 0 "[    .    1    .    2]" 2 
       311 1 31 TRP QB   1 32 ARG H    . . 3.380 2.721 2.472 2.903     .  0 0 "[    .    1    .    2]" 2 
       312 1 31 TRP QB   1 37 VAL MG1  . . 3.540 2.094 1.809 2.746     .  0 0 "[    .    1    .    2]" 2 
       313 1 31 TRP HE1  1 38 PRO QB   . . 4.380 4.524 4.375 4.660 0.280 10 0 "[    .    1    .    2]" 2 
       314 1 31 TRP HZ2  1 38 PRO QG   . . 4.040 3.008 2.598 3.766     .  0 0 "[    .    1    .    2]" 2 
       315 1 32 ARG H    1 32 ARG QG   . . 4.350 3.914 2.457 4.052     .  0 0 "[    .    1    .    2]" 2 
       316 1 32 ARG QG   1 33 ALA H    . . 4.860 3.654 2.465 4.144     .  0 0 "[    .    1    .    2]" 2 
       317 1 32 ARG QG   1 35 GLY H    . . 5.020 4.909 4.650 5.160 0.140 11 0 "[    .    1    .    2]" 2 
       318 1 32 ARG QD   1 33 ALA H    . . 5.810 4.809 4.079 5.509     .  0 0 "[    .    1    .    2]" 2 
       319 1 33 ALA H    1 34 ARG QB   . . 5.340 4.137 3.892 4.330     .  0 0 "[    .    1    .    2]" 2 
       320 1 34 ARG H    1 34 ARG QG   . . 3.810 3.973 3.939 4.019 0.209 17 0 "[    .    1    .    2]" 2 
       321 1 34 ARG H    1 34 ARG QD   . . 4.910 4.433 4.206 4.809     .  0 0 "[    .    1    .    2]" 2 
       322 1 34 ARG H    1 35 GLY QA   . . 5.440 4.270 4.097 4.414     .  0 0 "[    .    1    .    2]" 2 
       323 1 34 ARG HA   1 34 ARG QG   . . 3.670 2.795 2.254 3.065     .  0 0 "[    .    1    .    2]" 2 
       324 1 34 ARG HE   1 34 ARG QG   . . 2.690 2.475 2.216 2.807 0.117 15 0 "[    .    1    .    2]" 2 
       325 1 34 ARG QG   1 58 LEU MD1  . . 4.330 3.705 2.678 4.339 0.009 12 0 "[    .    1    .    2]" 2 
       326 1 36 ARG QB   1 37 VAL H    . . 3.660 3.243 2.512 3.712 0.052 13 0 "[    .    1    .    2]" 2 
       327 1 36 ARG QB   1 58 LEU MD2  . . 4.300 3.370 2.274 4.030     .  0 0 "[    .    1    .    2]" 2 
       328 1 37 VAL HB   1 38 PRO QD   . . 3.830 2.319 1.997 2.495     .  0 0 "[    .    1    .    2]" 2 
       329 1 37 VAL MG1  1 38 PRO QD   . . 4.620 3.263 2.941 3.523     .  0 0 "[    .    1    .    2]" 2 
       330 1 37 VAL MG1  1 41 ARG QB   . . 4.130 3.443 3.132 3.929     .  0 0 "[    .    1    .    2]" 2 
       331 1 37 VAL MG2  1 41 ARG QG   . . 4.350 3.542 2.821 4.275     .  0 0 "[    .    1    .    2]" 2 
       332 1 37 VAL MG2  1 57 GLU QG   . . 3.760 3.816 3.542 3.938 0.178  9 0 "[    .    1    .    2]" 2 
       333 1 38 PRO HA   1 58 LEU QB   . . 4.680 2.408 1.854 2.946     .  0 0 "[    .    1    .    2]" 2 
       334 1 38 PRO QB   1 39 ALA H    . . 3.870 2.658 2.480 3.041     .  0 0 "[    .    1    .    2]" 2 
       335 1 38 PRO QG   1 39 ALA H    . . 5.060 4.327 4.078 4.539     .  0 0 "[    .    1    .    2]" 2 
       336 1 39 ALA HA   1 57 GLU QG   . . 4.460 3.458 2.954 4.057     .  0 0 "[    .    1    .    2]" 2 
       337 1 39 ALA MB   1 60 PRO QG   . . 4.510 4.080 3.540 4.612 0.102 20 0 "[    .    1    .    2]" 2 
       338 1 39 ALA MB   1 60 PRO QD   . . 4.860 3.029 2.215 3.795     .  0 0 "[    .    1    .    2]" 2 
       339 1 41 ARG H    1 41 ARG QD   . . 5.070 4.887 4.346 5.165 0.095 14 0 "[    .    1    .    2]" 2 
       340 1 41 ARG HA   1 41 ARG QD   . . 3.610 3.152 2.968 3.265     .  0 0 "[    .    1    .    2]" 2 
       341 1 41 ARG QB   1 41 ARG HE   . . 3.850 3.338 3.057 3.595     .  0 0 "[    .    1    .    2]" 2 
       342 1 41 ARG HE   1 41 ARG QG   . . 3.320 2.564 2.430 3.143     .  0 0 "[    .    1    .    2]" 2 
       343 1 42 CYS H    1 42 CYS QB   . . 3.100 2.248 2.174 2.308     .  0 0 "[    .    1    .    2]" 2 
       344 1 42 CYS QB   1 43 ILE H    . . 4.030 2.987 2.760 3.212     .  0 0 "[    .    1    .    2]" 2 
       345 1 43 ILE H    1 43 ILE QG   . . 3.890 2.054 1.877 2.352     .  0 0 "[    .    1    .    2]" 2 
       346 1 43 ILE QG   1 43 ILE MG   . . 3.230 2.377 2.299 2.424     .  0 0 "[    .    1    .    2]" 2 
       347 1 45 ILE H    1 45 ILE QG   . . 3.330 2.356 2.213 2.488     .  0 0 "[    .    1    .    2]" 2 
       348 1 45 ILE MG   1 55 CYS QB   . . 4.620 2.776 2.288 3.340     .  0 0 "[    .    1    .    2]" 2 
       349 1 46 GLU HA   1 46 GLU QG   . . 3.660 2.430 2.342 2.541     .  0 0 "[    .    1    .    2]" 2 
       350 1 46 GLU QG   1 49 THR MG   . . 5.010 4.878 4.371 5.164 0.154  4 0 "[    .    1    .    2]" 2 
       351 1 47 LEU H    1 47 LEU QB   . . 3.220 2.279 2.012 2.546     .  0 0 "[    .    1    .    2]" 2 
       352 1 47 LEU QB   1 48 TYR H    . . 4.050 2.718 2.447 3.037     .  0 0 "[    .    1    .    2]" 2 
       353 1 47 LEU QB   1 48 TYR QE   . . 4.650 3.137 2.631 4.199     .  0 0 "[    .    1    .    2]" 2 
       354 1 48 TYR H    1 48 TYR QB   . . 3.550 2.687 2.551 2.834     .  0 0 "[    .    1    .    2]" 2 
       355 1 50 ASP QB   1 52 ARG H    . . 5.280 4.484 3.945 5.377 0.097  3 0 "[    .    1    .    2]" 2 
       356 1 55 CYS H    1 55 CYS QB   . . 3.280 2.313 2.180 2.780     .  0 0 "[    .    1    .    2]" 2 
       357 1 56 ARG H    1 56 ARG QB   . . 3.490 2.828 2.322 3.281     .  0 0 "[    .    1    .    2]" 2 
       358 1 56 ARG H    1 56 ARG QG   . . 4.070 3.247 2.057 4.037     .  0 0 "[    .    1    .    2]" 2 
       359 1 57 GLU H    1 57 GLU QG   . . 3.780 2.123 1.833 2.428     .  0 0 "[    .    1    .    2]" 2 
       360 1 57 GLU QG   1 58 LEU H    . . 5.230 3.821 3.556 4.413     .  0 0 "[    .    1    .    2]" 2 
       361 1 58 LEU H    1 58 LEU QB   . . 3.670 2.368 2.263 2.518     .  0 0 "[    .    1    .    2]" 2 
       362 1 58 LEU QB   1 59 ARG H    . . 3.960 2.868 2.399 3.516     .  0 0 "[    .    1    .    2]" 2 
       363 1 59 ARG H    1 59 ARG QB   . . 3.310 2.520 2.316 2.765     .  0 0 "[    .    1    .    2]" 2 
       364 1 59 ARG H    1 60 PRO QD   . . 5.690 4.465 4.409 4.521     .  0 0 "[    .    1    .    2]" 2 
       365 1 59 ARG QB   1 60 PRO QD   . . 1.560 1.890 1.768 2.019 0.459 12 0 "[    .    1    .    2]" 2 
       366 1 59 ARG QB   1 61 ASP H    . . 5.600 4.516 2.698 5.796 0.196 19 0 "[    .    1    .    2]" 2 
       367 1 60 PRO QB   1 61 ASP H    . . 4.080 3.446 2.857 4.037     .  0 0 "[    .    1    .    2]" 2 
       368 1 60 PRO QG   1 61 ASP H    . . 4.590 4.012 2.320 4.727 0.137 16 0 "[    .    1    .    2]" 2 
    stop_

save_


save_distance_constraint_statistics_3
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            3
    _Distance_constraint_stats_list.Constraint_count              42
    _Distance_constraint_stats_list.Viol_count                    61
    _Distance_constraint_stats_list.Viol_total                    54.255
    _Distance_constraint_stats_list.Viol_max                      0.181
    _Distance_constraint_stats_list.Viol_rms                      0.0161
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0032
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0445
    _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  2 ASN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  3 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  4 ILE 0.042 0.031  3 0 "[    .    1    .    2]" 
       1  5 ASP 0.140 0.081 11 0 "[    .    1    .    2]" 
       1  6 ILE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  7 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  8 ILE 0.042 0.031  3 0 "[    .    1    .    2]" 
       1  9 ASN 0.140 0.081 11 0 "[    .    1    .    2]" 
       1 10 LYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 11 LEU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 14 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 15 SER 0.137 0.052  2 0 "[    .    1    .    2]" 
       1 16 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 17 LEU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 18 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 19 ALA 0.137 0.052  2 0 "[    .    1    .    2]" 
       1 20 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 21 LEU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 25 GLN 0.114 0.051  2 0 "[    .    1    .    2]" 
       1 26 SER 0.037 0.037  8 0 "[    .    1    .    2]" 
       1 27 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 28 ILE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 29 SER 0.167 0.051  2 0 "[    .    1    .    2]" 
       1 30 GLN 0.037 0.037  8 0 "[    .    1    .    2]" 
       1 31 TRP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 32 ARG 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 33 ALA 0.053 0.042 11 0 "[    .    1    .    2]" 
       1 34 ARG 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 41 ARG 0.218 0.051  4 0 "[    .    1    .    2]" 
       1 42 CYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 43 ILE 0.278 0.075 17 0 "[    .    1    .    2]" 
       1 44 ASP 1.694 0.181 19 0 "[    .    1    .    2]" 
       1 45 ILE 0.218 0.051  4 0 "[    .    1    .    2]" 
       1 46 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 47 LEU 0.278 0.075 17 0 "[    .    1    .    2]" 
       1 48 TYR 1.694 0.181 19 0 "[    .    1    .    2]" 
       1 49 THR 0.000 0.000  5 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  2 ASN O 1  6 ILE H 2.500 . 2.500 2.086 1.953 2.489     .  0 0 "[    .    1    .    2]" 3 
        2 1  2 ASN O 1  6 ILE N 3.500 . 3.500 2.990 2.843 3.395     .  0 0 "[    .    1    .    2]" 3 
        3 1  3 ALA O 1  7 ALA H 2.500 . 2.500 2.126 1.983 2.264     .  0 0 "[    .    1    .    2]" 3 
        4 1  3 ALA O 1  7 ALA N 3.500 . 3.500 3.013 2.785 3.162     .  0 0 "[    .    1    .    2]" 3 
        5 1  4 ILE O 1  8 ILE H 2.500 . 2.500 2.309 2.103 2.531 0.031  3 0 "[    .    1    .    2]" 3 
        6 1  4 ILE O 1  8 ILE N 3.500 . 3.500 3.167 2.972 3.420     .  0 0 "[    .    1    .    2]" 3 
        7 1  5 ASP O 1  9 ASN H 2.500 . 2.500 2.257 2.071 2.581 0.081 11 0 "[    .    1    .    2]" 3 
        8 1  5 ASP O 1  9 ASN N 3.500 . 3.500 3.180 3.006 3.540 0.040 11 0 "[    .    1    .    2]" 3 
        9 1  6 ILE O 1 10 LYS H 2.500 . 2.500 2.107 2.007 2.247     .  0 0 "[    .    1    .    2]" 3 
       10 1  6 ILE O 1 10 LYS N 3.500 . 3.500 2.888 2.774 3.043     .  0 0 "[    .    1    .    2]" 3 
       11 1  7 ALA O 1 11 LEU H 2.500 . 2.500 2.133 2.032 2.246     .  0 0 "[    .    1    .    2]" 3 
       12 1  7 ALA O 1 11 LEU N 3.500 . 3.500 3.073 2.977 3.162     .  0 0 "[    .    1    .    2]" 3 
       13 1 14 VAL O 1 18 ALA H 2.500 . 2.500 1.912 1.855 1.985     .  0 0 "[    .    1    .    2]" 3 
       14 1 14 VAL O 1 18 ALA N 3.500 . 3.500 2.833 2.765 2.875     .  0 0 "[    .    1    .    2]" 3 
       15 1 15 SER O 1 19 ALA H 2.500 . 2.500 2.451 2.272 2.552 0.052  2 0 "[    .    1    .    2]" 3 
       16 1 15 SER O 1 19 ALA N 3.500 . 3.500 3.324 3.144 3.405     .  0 0 "[    .    1    .    2]" 3 
       17 1 16 ALA O 1 20 ALA H 2.500 . 2.500 2.270 2.141 2.484     .  0 0 "[    .    1    .    2]" 3 
       18 1 16 ALA O 1 20 ALA N 3.500 . 3.500 3.135 3.022 3.288     .  0 0 "[    .    1    .    2]" 3 
       19 1 17 LEU O 1 21 LEU H 2.500 . 2.500 2.108 2.030 2.236     .  0 0 "[    .    1    .    2]" 3 
       20 1 17 LEU O 1 21 LEU N 3.500 . 3.500 2.904 2.853 2.972     .  0 0 "[    .    1    .    2]" 3 
       21 1 25 GLN O 1 29 SER H 2.500 . 2.500 2.348 2.091 2.551 0.051  2 0 "[    .    1    .    2]" 3 
       22 1 25 GLN O 1 29 SER N 3.500 . 3.500 3.285 3.026 3.505 0.005  2 0 "[    .    1    .    2]" 3 
       23 1 26 SER O 1 30 GLN H 2.500 . 2.500 2.247 2.019 2.537 0.037  8 0 "[    .    1    .    2]" 3 
       24 1 26 SER O 1 30 GLN N 3.500 . 3.500 3.092 2.880 3.400     .  0 0 "[    .    1    .    2]" 3 
       25 1 27 ALA O 1 31 TRP H 2.500 . 2.500 2.047 1.951 2.158     .  0 0 "[    .    1    .    2]" 3 
       26 1 27 ALA O 1 31 TRP N 3.500 . 3.500 2.933 2.839 3.044     .  0 0 "[    .    1    .    2]" 3 
       27 1 28 ILE O 1 32 ARG H 2.500 . 2.500 2.053 1.996 2.119     .  0 0 "[    .    1    .    2]" 3 
       28 1 28 ILE O 1 32 ARG N 3.500 . 3.500 2.910 2.825 3.013     .  0 0 "[    .    1    .    2]" 3 
       29 1 29 SER O 1 33 ALA H 2.500 . 2.500 2.288 2.103 2.542 0.042 11 0 "[    .    1    .    2]" 3 
       30 1 29 SER O 1 33 ALA N 3.500 . 3.500 3.150 2.899 3.358     .  0 0 "[    .    1    .    2]" 3 
       31 1 30 GLN O 1 34 ARG H 2.500 . 2.500 2.105 2.032 2.266     .  0 0 "[    .    1    .    2]" 3 
       32 1 30 GLN O 1 34 ARG N 3.500 . 3.500 2.843 2.749 3.078     .  0 0 "[    .    1    .    2]" 3 
       33 1 41 ARG O 1 45 ILE H 2.500 . 2.500 2.429 2.161 2.551 0.051  4 0 "[    .    1    .    2]" 3 
       34 1 41 ARG O 1 45 ILE N 3.500 . 3.500 3.399 3.119 3.533 0.033  4 0 "[    .    1    .    2]" 3 
       35 1 42 CYS O 1 46 GLU H 2.500 . 2.500 1.995 1.914 2.103     .  0 0 "[    .    1    .    2]" 3 
       36 1 42 CYS O 1 46 GLU N 3.500 . 3.500 2.792 2.684 2.919     .  0 0 "[    .    1    .    2]" 3 
       37 1 43 ILE O 1 47 LEU H 2.500 . 2.500 2.419 2.170 2.575 0.075 17 0 "[    .    1    .    2]" 3 
       38 1 43 ILE O 1 47 LEU N 3.500 . 3.500 3.255 2.977 3.482     .  0 0 "[    .    1    .    2]" 3 
       39 1 44 ASP O 1 48 TYR H 2.500 . 2.500 2.580 2.461 2.681 0.181 19 0 "[    .    1    .    2]" 3 
       40 1 44 ASP O 1 48 TYR N 3.500 . 3.500 3.390 3.222 3.530 0.030 16 0 "[    .    1    .    2]" 3 
       41 1 45 ILE O 1 49 THR H 2.500 . 2.500 2.238 1.996 2.500     .  5 0 "[    .    1    .    2]" 3 
       42 1 45 ILE O 1 49 THR N 3.500 . 3.500 2.874 2.731 3.156     .  0 0 "[    .    1    .    2]" 3 
    stop_

save_



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