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
609443 5l6r 34003 cing 4-filtered-FRED Wattos check stereo assignment distance


data_5l6r


save_assign_stereo
    _Stereo_assign_list.Sf_category          stereo_assignments
    _Stereo_assign_list.Triplet_count        176
    _Stereo_assign_list.Swap_count           11
    _Stereo_assign_list.Swap_percentage      6.3
    _Stereo_assign_list.Deassign_count       0
    _Stereo_assign_list.Deassign_percentage  0.0
    _Stereo_assign_list.Model_count          20
    _Stereo_assign_list.Total_e_low_states   16.918
    _Stereo_assign_list.Total_e_high_states  1584.476
    _Stereo_assign_list.Crit_abs_e_diff      0.100
    _Stereo_assign_list.Crit_rel_e_diff      0.000
    _Stereo_assign_list.Crit_mdls_favor_pct  75.0
    _Stereo_assign_list.Crit_sing_mdl_viol   1.000
    _Stereo_assign_list.Crit_multi_mdl_viol  0.500
    _Stereo_assign_list.Crit_multi_mdl_pct   50.0
    _Stereo_assign_list.Details              
;
Description of the tags in this list:
*  1 * NMR-STAR 3 administrative tag
*  2 * NMR-STAR 3 administrative tag
*  3 * NMR-STAR 3 administrative tag
*  4 * Number of triplets (atom-group pair and pseudo)
*  5 * Number of triplets that were swapped
*  6 * Percentage of triplets that were swapped
*  7 * Number of deassigned triplets
*  8 * Percentage of deassigned triplets
*  9 * Number of models in ensemble
* 10 * Energy of the states with the lower energies summed for all triplets (Ang.**2)
* 11 * Energy of the states with the higher energies summed for all triplets (Ang.**2)
* 12 * Item 9-8
* 13 * Criterium for swapping assignment on the absolute energy difference (Ang.**2)
* 14 * Criterium for swapping assignment on the relative energy difference (Ang.**2)
* 15 * Criterium for swapping assignment on the percentage of models favoring a swap
* 16 * Criterium for deassignment on a single model violation (Ang.)
* 17 * Criterium for deassignment on a multiple model violation (Ang.)
* 18 * Criterium for deassignment on a percentage of models
* 19 * this tag

Description of the tags in the table below:
*  1 * Chain identifier (can be absent if none defined)
*  2 * Residue number
*  3 * Residue name
*  4 * Name of pseudoatom representing the triplet
*  5 * Ordinal number of assignment (1 is assigned first)
*  6 * 'yes' if assignment state is swapped with respect to restraint file
*  7 * Percentage of models in which the assignment with the lowest
        overall energy is favoured
*  8 * Percentage of difference between lowest and highest overall energy
        with respect to the highest overall energy
*  9 * Difference between lowest and highest overall energy
* 10 * Energy of the highest overall energy state (Ang.**2)
* 11 * Energy of the lowest overall energy state (Ang.**2)
* 12 * Number of restraints involved with the triplet. The highest ranking
        triplet on this number, is assigned first
* 13 * Number of restraints involved with the triplet that are ambiguous
        besides the ambiguity from this triplet
* 14 * 'yes' if restraints included in this triplet are deassigned
* 15 * Maximum unaveraged violation before deassignment (Ang.)
* 16 * Number of violated restraints above threshold for a single model
        before deassignment (given by Single_mdl_crit_count)
* 17 * Number of violated restraints above threshold for a multiple models
        before deassignment (given by Multi_mdl_crit_count)
* 18 * NMR-STAR 3.0 administrative tag
* 19 * NMR-STAR 3.0 administrative tag
;


    loop_
       _Stereo_assign.Entity_assembly_ID
       _Stereo_assign.Comp_index_ID
       _Stereo_assign.Comp_ID
       _Stereo_assign.Pseudo_Atom_ID
       _Stereo_assign.Num
       _Stereo_assign.Swapped
       _Stereo_assign.Models_favoring_pct
       _Stereo_assign.Energy_difference_pct
       _Stereo_assign.Energy_difference
       _Stereo_assign.Energy_high_state
       _Stereo_assign.Energy_low_state
       _Stereo_assign.Constraint_count
       _Stereo_assign.Constraint_ambi_count
       _Stereo_assign.Deassigned
       _Stereo_assign.Violation_max
       _Stereo_assign.Single_mdl_crit_count
       _Stereo_assign.Multi_mdl_crit_count

       1   7 HIS QB 133 no  100.0 100.0   0.356   0.356 0.000  5  0 no 0.000 0 0 
       1   9 GLN QB 156 no  100.0   0.0   0.000   0.000 0.000  4  4 no 0.000 0 0 
       1   9 GLN QE 171 no  100.0   0.0   0.000   0.049 0.049  2  0 no 0.302 0 0 
       1   9 GLN QG 155 no  100.0   0.0   0.000   0.000 0.000  4  4 no 0.000 0 0 
       1  10 TRP QB 101 no  100.0 100.0   0.514   0.514 0.000  8  0 no 0.003 0 0 
       1  11 ASN QB 157 no   75.0  88.6   0.274   0.310 0.035  3  0 no 0.308 0 0 
       1  12 LYS QG 170 no  100.0   0.0   0.000   0.000 0.000  2  0 no 0.000 0 0 
       1  13 PRO QB 169 no   15.0 100.0   0.010   0.010 0.000  2  0 no 0.000 0 0 
       1  13 PRO QD 147 no  100.0   0.0   0.000   0.014 0.014  4  0 no 0.303 0 0 
       1  15 LYS QG 174 no  100.0   0.0   0.000   0.004 0.004  2  2 no 0.281 0 0 
       1  16 PRO QD 161 no   15.0  70.5   0.009   0.013 0.004  3  2 no 0.281 0 0 
       1  17 LYS QG 168 no  100.0   0.0   0.000   0.000 0.000  2  0 no 0.000 0 0 
       1  19 ASN QB 146 no    5.0 100.0   0.000   0.000 0.000  4  0 no 0.000 0 0 
       1  20 MET QB 167 no   50.0  47.9   0.011   0.022 0.012  2  0 no 0.306 0 0 
       1  20 MET QG 100 no   60.0  90.4   0.044   0.049 0.005  8  0 no 0.305 0 0 
       1  21 LYS QB 166 no   95.0 100.0   0.029   0.029 0.000  2  0 no 0.000 0 0 
       1  21 LYS QG 165 no  100.0   0.0   0.000   0.000 0.000  2  0 no 0.000 0 0 
       1  22 HIS QB  99 no  100.0  97.5   0.807   0.828 0.020  8  0 no 0.305 0 0 
       1  25 GLY QA 145 no  100.0   0.0   0.000   0.008 0.008  4  0 no 0.306 0 0 
       1  32 VAL QG  86 no  100.0  98.6   6.064   6.148 0.085 10  1 no 0.318 0 0 
       1  33 VAL QG  34 no  100.0  96.6  15.774  16.321 0.547 17  8 no 0.333 0 0 
       1  34 GLY QA 120 no  100.0  95.4   1.393   1.460 0.067  7  3 no 0.304 0 0 
       1  35 GLY QA 164 no  100.0   0.0   0.000   0.000 0.000  2  0 no 0.000 0 0 
       1  36 LEU QB  20 no  100.0  99.8   2.777   2.783 0.005 20  9 no 0.159 0 0 
       1  36 LEU QD  24 no  100.0  97.5   6.652   6.820 0.168 19  5 no 0.303 0 0 
       1  37 GLY QA 122 no  100.0  93.8   2.452   2.615 0.163  7  6 no 0.319 0 0 
       1  39 TYR QB  37 no  100.0  98.6   8.041   8.151 0.111 17  9 no 0.307 0 0 
       1  39 TYR QD  61 no  100.0  99.9  56.217  56.287 0.070 14  7 no 0.306 0 0 
       1  39 TYR QE 110 no  100.0 100.0  40.883  40.901 0.018  8  3 no 0.301 0 0 
       1  40 MET QB  66 no  100.0 100.0   1.876   1.877 0.001 13  5 no 0.105 0 0 
       1  40 MET QG 105 no  100.0  94.4   0.946   1.003 0.057  8  2 no 0.305 0 0 
       1  41 LEU QB  72 no  100.0  99.6   2.271   2.281 0.010 13  7 no 0.211 0 0 
       1  41 LEU QD   2 no  100.0  99.2  23.841  24.024 0.183 33 18 no 0.315 0 0 
       1  42 GLY QA  52 no  100.0  93.0   0.725   0.779 0.054 15 11 no 0.302 0 0 
       1  43 SER QB  23 no  100.0  92.3   1.193   1.292 0.099 20 13 no 0.338 0 0 
       1  45 MET QB  81 no  100.0  93.0   1.045   1.124 0.079 11  4 no 0.338 0 0 
       1  45 MET QG  68 no   95.0  85.8   1.857   2.164 0.307 13  6 no 0.326 0 0 
       1  49 ILE QG  80 yes 100.0  97.6   0.118   0.121 0.003 11  3 no 0.168 0 0 
       1  50 ILE QG  15 no  100.0  96.1   8.531   8.875 0.344 22 12 no 0.308 0 0 
       1  51 HIS QB  98 no  100.0 100.0   0.086   0.086 0.000  8  0 no 0.000 0 0 
       1  52 PHE QB  29 no  100.0  86.1   0.559   0.649 0.090 18  9 no 0.308 0 0 
       1  52 PHE QD  95 no  100.0  99.6  24.062  24.165 0.103  9  2 no 0.312 0 0 
       1  52 PHE QE 109 no  100.0 100.0  31.744  31.759 0.014  8  3 no 0.301 0 0 
       1  53 GLY QA  92 no  100.0  93.0   2.711   2.914 0.203 10  5 no 0.314 0 0 
       1  54 SER QB  76 no  100.0  90.9   1.753   1.930 0.176 12  6 no 0.307 0 0 
       1  55 ASP QB 144 no  100.0   0.0   0.000   0.000 0.000  4  0 no 0.000 0 0 
       1  56 TYR QB 117 no  100.0  99.8   4.438   4.448 0.011  8  6 no 0.302 0 0 
       1  56 TYR QD  97 no  100.0  99.6  17.300  17.375 0.075  9  4 no 0.302 0 0 
       1  56 TYR QE 176 no  100.0   0.0   0.000   0.000 0.000  1  0 no 0.000 0 0 
       1  57 GLU QB  50 no  100.0  92.3   2.951   3.196 0.245 15  8 no 0.314 0 0 
       1  57 GLU QG  14 no  100.0  75.7   1.511   1.996 0.485 22 12 no 0.307 0 0 
       1  58 ASP QB  87 no  100.0  93.8   1.652   1.762 0.109 10  2 no 0.311 0 0 
       1  59 ARG QB  83 no  100.0  99.4   2.027   2.040 0.012 11  5 no 0.255 0 0 
       1  59 ARG QD 116 no  100.0  94.1   0.536   0.570 0.034  8  5 no 0.303 0 0 
       1  59 ARG QG 142 no   95.0  99.5   0.871   0.876 0.005  5  3 no 0.306 0 0 
       1  60 TYR QB  31 no   50.0  78.6   0.199   0.253 0.054 17  7 no 0.302 0 0 
       1  60 TYR QD  59 no  100.0  99.6  39.237  39.401 0.164 14  6 no 0.305 0 0 
       1  61 TYR QB   7 no  100.0  94.1   9.049   9.615 0.566 25 15 no 0.319 0 0 
       1  61 TYR QD   9 no  100.0  99.9  72.480  72.541 0.061 24 11 no 0.314 0 0 
       1  61 TYR QE  12 no  100.0  99.9  97.008  97.090 0.082 23 12 no 0.312 0 0 
       1  62 ARG QB 132 no  100.0  99.9   0.654   0.654 0.001  6  4 no 0.099 0 0 
       1  62 ARG QD  51 no  100.0  92.1   2.396   2.602 0.207 15  9 no 0.314 0 0 
       1  62 ARG QG  36 no  100.0  98.2   2.829   2.881 0.051 17  9 no 0.312 0 0 
       1  63 GLU QB 119 no  100.0 100.0   0.707   0.707 0.000  7  3 no 0.000 0 0 
       1  63 GLU QG  48 no  100.0  96.6   3.226   3.340 0.114 15  7 no 0.306 0 0 
       1  64 ASN QB  38 no  100.0  97.6   4.685   4.802 0.117 17 10 no 0.305 0 0 
       1  64 ASN QD  43 yes 100.0  94.8   4.807   5.069 0.262 16  7 no 0.315 0 0 
       1  65 MET QB 159 no  100.0 100.0   0.443   0.444 0.000  3  1 no 0.024 0 0 
       1  65 MET QG  64 yes  90.0  90.6   0.231   0.255 0.024 13  4 no 0.343 0 0 
       1  66 HIS QB 143 no  100.0 100.0   0.165   0.165 0.000  4  0 no 0.001 0 0 
       1  67 ARG QB  73 no  100.0  99.3   2.204   2.219 0.015 13  8 no 0.302 0 0 
       1  67 ARG QD 131 no  100.0   0.0   0.000   0.000 0.000  6  4 no 0.000 0 0 
       1  67 ARG QG  79 no  100.0  97.2   6.305   6.487 0.182 11  3 no 0.309 0 0 
       1  68 TYR QB  91 no  100.0  98.5   8.257   8.385 0.127 10  5 no 0.309 0 0 
       1  68 TYR QD   8 no  100.0  99.8  80.676  80.810 0.134 24  9 no 0.343 0 0 
       1  68 TYR QE   3 no  100.0  99.7 119.183 119.519 0.336 32 14 no 0.321 0 0 
       1  69 PRO QB 163 no  100.0  98.9   2.906   2.939 0.032  2  0 no 0.306 0 0 
       1  69 PRO QD  85 no  100.0  97.6   6.518   6.675 0.158 11  6 no 0.309 0 0 
       1  69 PRO QG 148 no  100.0 100.0   1.158   1.158 0.000  4  1 no 0.000 0 0 
       1  70 ASN QB  88 no   90.0  96.7   0.682   0.705 0.023 10  4 no 0.306 0 0 
       1  70 ASN QD  17 yes 100.0  93.9   3.859   4.109 0.251 21  8 no 0.306 0 0 
       1  71 GLN QB 158 no  100.0 100.0   0.056   0.056 0.000  3  1 no 0.000 0 0 
       1  71 GLN QE  16 yes 100.0  85.0   5.904   6.945 1.041 21  8 no 0.302 0 0 
       1  71 GLN QG  57 no  100.0  93.9   1.477   1.573 0.096 14  5 no 0.315 0 0 
       1  72 VAL QG   1 no  100.0  98.4  26.268  26.690 0.422 34 16 no 0.519 0 2 
       1  73 TYR QB  42 no  100.0  99.1   4.085   4.123 0.038 16  7 no 0.283 0 0 
       1  73 TYR QD  44 no  100.0  99.5  42.834  43.030 0.196 16  8 no 0.341 0 0 
       1  73 TYR QE 162 no  100.0  98.9   7.996   8.087 0.091  2  0 no 0.305 0 0 
       1  74 TYR QB 175 no  100.0   0.0   0.000   0.000 0.000  1  0 no 0.000 0 0 
       1  74 TYR QD 115 no  100.0  99.8  38.657  38.742 0.085  8  5 no 0.310 0 0 
       1  74 TYR QE  30 no  100.0  99.9  71.587  71.624 0.037 18 11 no 0.306 0 0 
       1  76 PRO QB 154 no  100.0  98.0   2.216   2.260 0.045  4  3 no 0.305 0 0 
       1  76 PRO QD 129 no   95.0  78.9   0.240   0.304 0.064  6  3 no 0.307 0 0 
       1  86 PHE QD  84 no  100.0 100.0  32.029  32.032 0.003 11  6 no 0.220 0 0 
       1  86 PHE QE  22 no  100.0  99.2  37.214  37.521 0.307 20 12 no 0.335 0 0 
       1  87 VAL QG  13 no  100.0  99.4  19.562  19.681 0.119 22 11 no 0.358 0 0 
       1  89 ASP QB  78 no   95.0  98.3   2.372   2.413 0.041 11  2 no 0.316 0 0 
       1  90 CYS QB  94 no  100.0  98.0   1.048   1.070 0.022  9  2 no 0.301 0 0 
       1  91 VAL QG  39 no  100.0  97.9   5.594   5.716 0.121 16  3 no 0.347 0 0 
       1  92 ASN QB 153 no  100.0   0.0   0.000   0.000 0.000  4  2 no 0.000 0 0 
       1  92 ASN QD  55 yes 100.0  97.1   6.116   6.300 0.184 14  3 no 0.317 0 0 
       1  93 ILE QG  65 no  100.0  98.3   3.394   3.453 0.059 13  5 no 0.304 0 0 
       1  95 ILE QG 127 no  100.0  98.7   0.080   0.081 0.001  6  2 no 0.304 0 0 
       1  96 LYS QB 136 no  100.0  98.0   2.086   2.130 0.044  5  1 no 0.302 0 0 
       1  96 LYS QD 140 no  100.0  90.6   0.755   0.833 0.078  5  2 no 0.303 0 0 
       1  96 LYS QE 123 no   55.0  91.6   1.167   1.274 0.107  6  1 no 0.313 0 0 
       1  96 LYS QG 152 no   25.0 100.0   0.047   0.047 0.000  4  2 no 0.000 0 0 
       1  97 GLN QB 108 no  100.0 100.0   0.396   0.396 0.000  8  3 no 0.000 0 0 
       1  97 GLN QE  35 yes 100.0  96.9   3.503   3.616 0.112 17  9 no 0.304 0 0 
       1  97 GLN QG 139 no   95.0  79.7   0.196   0.246 0.050  5  2 no 0.303 0 0 
       1  98 HIS QB  54 no  100.0  97.6   2.927   2.998 0.070 14  3 no 0.304 0 0 
       1 100 VAL QG  45 no  100.0  99.9  13.488  13.505 0.017 15  2 no 0.402 0 0 
       1 105 LYS QB 112 no   65.0 100.0   0.026   0.026 0.000  8  4 no 0.000 0 0 
       1 105 LYS QD 118 no   20.0  78.1   0.311   0.399 0.087  7  2 no 0.308 0 0 
       1 105 LYS QE 151 no  100.0   0.0   0.000   0.000 0.000  4  2 no 0.016 0 0 
       1 105 LYS QG 126 no   15.0 100.0   0.002   0.002 0.000  6  2 no 0.000 0 0 
       1 106 GLY QA 104 no  100.0  98.3   2.451   2.493 0.041  8  2 no 0.307 0 0 
       1 107 GLU QB  82 no  100.0  97.9   1.709   1.746 0.037 11  5 no 0.306 0 0 
       1 107 GLU QG  71 no  100.0  74.4   2.107   2.831 0.724 13  7 no 0.303 0 0 
       1 108 ASN QB 160 no  100.0 100.0   0.570   0.570 0.000  3  2 no 0.000 0 0 
       1 108 ASN QD 125 yes 100.0  93.4   1.591   1.704 0.113  6  2 no 0.304 0 0 
       1 109 PHE QB  63 no  100.0  99.9   4.583   4.590 0.007 13  4 no 0.302 0 0 
       1 109 PHE QD  21 no  100.0 100.0  88.066  88.100 0.034 20 10 no 0.304 0 0 
       1 109 PHE QE  96 no  100.0  99.8  33.119  33.182 0.063  9  4 no 0.302 0 0 
       1 111 GLU QB 128 no  100.0 100.0   0.018   0.018 0.000  6  3 no 0.000 0 0 
       1 111 GLU QG 103 no   60.0  61.2   0.013   0.021 0.008  8  2 no 0.302 0 0 
       1 113 ASP QB  47 no  100.0  96.2   2.347   2.438 0.092 15  7 no 0.319 0 0 
       1 114 VAL QG  19 no  100.0  99.1   8.240   8.311 0.071 20  7 no 0.309 0 0 
       1 115 LYS QB 138 no  100.0 100.0   0.258   0.258 0.000  5  2 no 0.000 0 0 
       1 115 LYS QD 150 no  100.0 100.0   0.703   0.703 0.000  4  2 no 0.000 0 0 
       1 115 LYS QE  75 no  100.0  90.8   1.566   1.725 0.158 12  4 no 0.306 0 0 
       1 115 LYS QG 149 no  100.0 100.0   0.089   0.089 0.000  4  2 no 0.000 0 0 
       1 116 MET QB  33 no  100.0  97.4   9.481   9.734 0.253 17  8 no 0.305 0 0 
       1 116 MET QG 135 no  100.0   0.0   0.000   0.000 0.000  5  1 no 0.000 0 0 
       1 117 MET QB  90 no  100.0  97.9   2.348   2.398 0.050 10  5 no 0.313 0 0 
       1 117 MET QG  67 no  100.0  98.6   0.466   0.472 0.007 13  6 no 0.250 0 0 
       1 118 GLU QB 124 no  100.0 100.0   0.900   0.900 0.000  6  2 no 0.000 0 0 
       1 118 GLU QG  40 no  100.0  98.1   9.600   9.785 0.185 16  4 no 0.309 0 0 
       1 119 ARG QB  28 no  100.0  98.7   7.120   7.217 0.097 18  7 no 0.303 0 0 
       1 119 ARG QD  32 no  100.0  89.5   1.519   1.697 0.178 17  8 no 0.310 0 0 
       1 119 ARG QG  26 no  100.0  97.5   3.209   3.291 0.082 19  9 no 0.302 0 0 
       1 120 VAL QG   4 no  100.0  99.7  27.235  27.315 0.080 32 17 no 0.328 0 0 
       1 121 VAL QG  10 no  100.0  99.1  24.246  24.475 0.229 23  5 no 0.341 0 0 
       1 122 GLU QB 141 no  100.0 100.0   0.820   0.820 0.000  5  3 no 0.000 0 0 
       1 122 GLU QG 121 no   50.0  46.4   0.012   0.026 0.014  7  4 no 0.306 0 0 
       1 123 GLN QB  62 no  100.0  97.0   0.859   0.886 0.027 13  4 no 0.307 0 0 
       1 123 GLN QE  11 yes 100.0  96.6   7.992   8.272 0.281 23 11 no 0.317 0 0 
       1 123 GLN QG  60 no  100.0  94.7   2.824   2.983 0.159 14  7 no 0.305 0 0 
       1 124 MET QB 102 no  100.0 100.0   0.653   0.653 0.000  8  2 no 0.000 0 0 
       1 124 MET QG  70 no  100.0  99.9   0.667   0.667 0.000 13  7 no 0.071 0 0 
       1 125 CYS QB 111 no  100.0  92.1   1.631   1.770 0.139  8  4 no 0.313 0 0 
       1 126 ILE QG 137 no   20.0  97.0   0.327   0.337 0.010  5  2 no 0.224 0 0 
       1 128 GLN QB  27 no  100.0  98.2   3.556   3.622 0.066 19 12 no 0.302 0 0 
       1 128 GLN QE   6 yes 100.0  95.2   9.995  10.504 0.509 26 12 no 0.336 0 0 
       1 128 GLN QG 130 no  100.0 100.0   2.733   2.733 0.000  6  4 no 0.000 0 0 
       1 129 TYR QB  25 no   90.0  88.7   0.023   0.026 0.003 19  8 no 0.152 0 0 
       1 129 TYR QD  49 no  100.0 100.0  32.492  32.493 0.001 15  8 no 0.068 0 0 
       1 129 TYR QE 114 no  100.0  99.3  13.698  13.789 0.091  8  5 no 0.305 0 0 
       1 130 GLU QB  93 no  100.0  99.2   3.003   3.026 0.023 10  6 no 0.302 0 0 
       1 130 GLU QG  18 no  100.0  97.6   2.729   2.796 0.067 20  7 no 0.305 0 0 
       1 131 ARG QB 107 no  100.0 100.0   0.446   0.446 0.000  8  3 no 0.000 0 0 
       1 131 ARG QD   5 no  100.0  89.6  11.522  12.863 1.341 30 15 no 0.323 0 0 
       1 131 ARG QG  56 no  100.0  96.4   5.869   6.089 0.220 14  5 no 0.310 0 0 
       1 132 GLU QB 172 no  100.0   0.0   0.000   0.000 0.000  2  1 no 0.000 0 0 
       1 132 GLU QG  69 no  100.0  94.2   3.150   3.346 0.196 13  7 no 0.312 0 0 
       1 133 SER QB  74 no  100.0   0.0   0.000   0.003 0.003 12  4 no 0.157 0 0 
       1 134 GLN QB  53 no  100.0  99.9   0.333   0.333 0.000 14  2 no 0.066 0 0 
       1 134 GLN QE 113 yes 100.0  77.6   0.325   0.419 0.094  8  5 no 0.303 0 0 
       1 134 GLN QG  77 no  100.0  94.1   1.734   1.843 0.109 11  2 no 0.305 0 0 
       1 136 TYR QB  58 no  100.0  99.4   2.969   2.987 0.018 14  6 no 0.300 0 0 
       1 136 TYR QD  46 no  100.0  99.9  39.516  39.571 0.055 15  4 no 0.302 0 0 
       1 136 TYR QE 134 no  100.0 100.0   8.789   8.789 0.000  5  1 no 0.000 0 0 
       1 137 TYR QB 106 no  100.0 100.0   1.441   1.441 0.000  8  3 no 0.000 0 0 
       1 137 TYR QD  41 no  100.0  99.5  36.854  37.050 0.195 16  7 no 0.309 0 0 
       1 137 TYR QE  89 no  100.0  99.7  56.628  56.785 0.157 10  5 no 0.306 0 0 
       1 138 GLY QA 173 no  100.0   0.0   0.000   0.050 0.050  2  2 no 0.304 0 0 
    stop_

save_



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