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
514162 2ldd 17659 cing 4-filtered-FRED Wattos check violation distance


data_2ldd


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              294
    _Distance_constraint_stats_list.Viol_count                    469
    _Distance_constraint_stats_list.Viol_total                    2663.362
    _Distance_constraint_stats_list.Viol_max                      2.757
    _Distance_constraint_stats_list.Viol_rms                      0.3354
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0906
    _Distance_constraint_stats_list.Viol_average_violations_only  0.5679
    _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 GLU  79.518 2.315  7 10  [******+*-*]  
       1  3 LYS  39.353 2.237  3 10  [**+***-***]  
       1  4 HIS  39.976 2.757  9  9  [****.***+*]  
       1  5 LYS 105.030 2.757  9 10  [******-*+*]  
       1  6 ILE 140.351 2.404  9 10  [********+*]  
       1  7 LEU  24.183 1.570  9 10  [*****-**+*]  
       1  8 .     1.773 0.490  8  0 "[    .    1]" 
       1  9 ARG  28.184 2.404  9 10  [***-****+*]  
       1 10 LEU  21.532 2.249  7 10  [****-*+***]  
       1 11 LEU  13.046 1.292  5  7 "[**- + * **]" 
       1 12 .     1.721 0.365 10  0 "[    .    1]" 
       1 13 ASP  10.853 2.028  5  4 "[ *-*+    1]" 
       1 14 SER   5.961 0.846  1  6 "[+ - * * **]" 
    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 GLU H   1  2 GLU HA  0.000 . 2.977 2.851 2.836 2.877     .  0 0 "[    .    1]" 1 
         2 1  2 GLU H   1  2 GLU QB  0.000 . 2.475 2.235 2.171 2.342     .  0 0 "[    .    1]" 1 
         3 1  2 GLU H   1  2 GLU QG  0.000 . 4.085 3.677 2.684 4.060     .  0 0 "[    .    1]" 1 
         4 1  2 GLU H   1  3 LYS H   0.000 . 4.141 3.135 2.707 4.198 0.058  5 0 "[    .    1]" 1 
         5 1  2 GLU H   1  3 LYS QB  0.000 . 4.717 4.672 4.287 5.536 0.819  5 2 "[    +-   1]" 1 
         6 1  2 GLU HA  1  2 GLU QG  0.000 . 2.968 2.614 2.317 2.816     .  0 0 "[    .    1]" 1 
         7 1  2 GLU HA  1  3 LYS H   0.000 . 3.445 3.015 2.138 3.486 0.040  7 0 "[    .    1]" 1 
         8 1  2 GLU HA  1  3 LYS QB  0.000 . 4.224 4.848 4.089 5.536 1.312  7 7 "[** *. +**-]" 1 
         9 1  2 GLU HA  1  4 HIS H   0.000 . 4.369 4.112 3.726 4.338     .  0 0 "[    .    1]" 1 
        10 1  2 GLU HA  1  5 LYS H   0.000 . 4.197 3.723 3.497 4.108     .  0 0 "[    .    1]" 1 
        11 1  2 GLU HA  1  5 LYS QB  0.000 . 3.414 3.439 2.878 4.173 0.759  5 3 "[    +*-  1]" 1 
        12 1  2 GLU HA  1  5 LYS QD  0.000 . 4.740 3.425 2.449 4.661     .  0 0 "[    .    1]" 1 
        13 1  2 GLU HA  1  5 LYS QG  0.000 . 3.751 3.491 3.038 4.439 0.688  5 2 "[    +-   1]" 1 
        14 1  2 GLU HA  1  6 ILE MD  0.000 . 4.943 6.629 5.144 7.054 2.112  2 9 "[*+**** *-*]" 1 
        15 1  2 GLU QB  1  2 GLU QG  0.000 . 2.440 2.017 2.001 2.085     .  0 0 "[    .    1]" 1 
        16 1  2 GLU QB  1  3 LYS H   0.000 . 4.069 3.493 3.077 3.965     .  0 0 "[    .    1]" 1 
        17 1  2 GLU QB  1  3 LYS HA  0.000 . 4.778 4.396 4.142 4.772     .  0 0 "[    .    1]" 1 
        18 1  2 GLU QB  1  4 HIS H   0.000 . 4.712 5.054 4.354 5.364 0.651  8 6 "[* **.  +-*]" 1 
        19 1  2 GLU QB  1  5 LYS QE  0.000 . 4.207 4.962 3.965 5.568 1.361  7 7 "[** -. +***]" 1 
        20 1  2 GLU QB  1  5 LYS QG  0.000 . 3.008 4.482 2.825 5.323 2.315  7 8 "[**-*. +***]" 1 
        21 1  2 GLU QB  1  6 ILE MG  0.000 . 4.811 4.693 3.926 6.647 1.836  7 1 "[    . +  1]" 1 
        22 1  2 GLU QG  1  3 LYS H   0.000 . 4.566 4.603 4.466 4.741 0.175  8 0 "[    .    1]" 1 
        23 1  2 GLU QG  1  5 LYS H   0.000 . 4.857 4.785 4.598 4.934 0.077  7 0 "[    .    1]" 1 
        24 1  2 GLU QG  1  5 LYS QB  0.000 . 3.734 3.335 3.065 3.903 0.168  7 0 "[    .    1]" 1 
        25 1  2 GLU QG  1  5 LYS QD  0.000 . 3.966 3.041 2.150 3.846     .  0 0 "[    .    1]" 1 
        26 1  2 GLU QG  1  5 LYS QE  0.000 . 4.574 4.535 3.359 5.339 0.765  4 4 "[-* +.   *1]" 1 
        27 1  2 GLU QG  1  5 LYS QG  0.000 . 4.199 4.218 3.692 4.670 0.471  4 0 "[    .    1]" 1 
        28 1  2 GLU QG  1  6 ILE H   0.000 . 4.498 4.696 4.086 5.499 1.001  7 4 "[  - **+  1]" 1 
        29 1  2 GLU QG  1  6 ILE MD  0.000 . 4.350 5.048 3.940 6.348 1.999  5 5 "[  * +* *-1]" 1 
        30 1  2 GLU QG  1  6 ILE MG  0.000 . 4.533 4.829 3.292 6.573 2.040  7 4 "[  - **+  1]" 1 
        31 1  3 LYS H   1  3 LYS HA  0.000 . 2.964 2.851 2.836 2.863     .  0 0 "[    .    1]" 1 
        32 1  3 LYS H   1  3 LYS QB  0.000 . 2.795 2.272 2.212 2.641     .  0 0 "[    .    1]" 1 
        33 1  3 LYS H   1  3 LYS QD  0.000 . 3.816 4.314 3.680 4.408 0.592  5 9 "[****+* **-]" 1 
        34 1  3 LYS H   1  3 LYS QG  0.000 . 4.458 3.771 2.017 3.988     .  0 0 "[    .    1]" 1 
        35 1  3 LYS H   1  4 HIS H   0.000 . 2.700 2.642 2.586 2.769 0.069  3 0 "[    .    1]" 1 
        36 1  3 LYS H   1  5 LYS H   0.000 . 4.147 4.084 3.841 4.586 0.439  7 0 "[    .    1]" 1 
        37 1  3 LYS HA  1  3 LYS QB  0.000 . 2.540 2.404 2.169 2.440     .  0 0 "[    .    1]" 1 
        38 1  3 LYS HA  1  3 LYS QD  0.000 . 4.116 4.039 3.973 4.365 0.249  7 0 "[    .    1]" 1 
        39 1  3 LYS HA  1  3 LYS QE  0.000 . 4.852 4.699 4.510 4.951 0.100  5 0 "[    .    1]" 1 
        40 1  3 LYS HA  1  3 LYS QG  0.000 . 3.833 2.478 2.345 3.376     .  0 0 "[    .    1]" 1 
        41 1  3 LYS HA  1  4 HIS H   0.000 . 3.658 3.562 3.396 3.629     .  0 0 "[    .    1]" 1 
        42 1  3 LYS HA  1  4 HIS HA  0.000 . 4.963 4.838 4.762 4.865     .  0 0 "[    .    1]" 1 
        43 1  3 LYS HA  1  5 LYS H   0.000 . 4.697 4.394 4.177 4.631     .  0 0 "[    .    1]" 1 
        44 1  3 LYS HA  1  6 ILE H   0.000 . 4.101 3.802 3.369 4.036     .  0 0 "[    .    1]" 1 
        45 1  3 LYS HA  1  6 ILE MG  0.000 . 4.375 2.667 2.073 4.428 0.053  7 0 "[    .    1]" 1 
        46 1  3 LYS HA  1  7 LEU H   0.000 . 4.773 4.531 4.413 4.628     .  0 0 "[    .    1]" 1 
        47 1  3 LYS QB  1  3 LYS QD  0.000 . 2.238 2.135 2.116 2.168     .  0 0 "[    .    1]" 1 
        48 1  3 LYS QB  1  3 LYS QG  0.000 . 2.434 2.092 2.088 2.099     .  0 0 "[    .    1]" 1 
        49 1  3 LYS QB  1  4 HIS H   0.000 . 3.845 2.698 2.221 3.854 0.009  7 0 "[    .    1]" 1 
        50 1  3 LYS QB  1  4 HIS HA  0.000 . 4.714 4.116 4.003 4.614     .  0 0 "[    .    1]" 1 
        51 1  3 LYS QB  1  4 HIS QB  0.000 . 3.972 3.907 3.589 5.037 1.065  7 1 "[    . +  1]" 1 
        52 1  3 LYS QB  1  5 LYS H   0.000 . 4.792 4.733 4.429 5.297 0.505  7 1 "[    . +  1]" 1 
        53 1  3 LYS QB  1  6 ILE MD  0.000 . 4.970 6.621 4.697 7.207 2.237  3 8 "[-*+*** * *]" 1 
        54 1  3 LYS QB  1  6 ILE MG  0.000 . 4.061 4.258 3.881 5.782 1.721  9 2 "[    . - +1]" 1 
        55 1  3 LYS QD  1  3 LYS QG  0.000 . 2.442 2.085 2.016 2.098     .  0 0 "[    .    1]" 1 
        56 1  3 LYS QE  1  3 LYS QG  0.000 . 2.768 2.259 2.124 2.592     .  0 0 "[    .    1]" 1 
        57 1  3 LYS QE  1  7 LEU QD  0.000 . 4.249 4.466 3.975 4.895 0.646  8 2 "[    .- + 1]" 1 
        58 1  3 LYS QG  1  4 HIS H   0.000 . 4.182 3.868 3.029 4.133     .  0 0 "[    .    1]" 1 
        59 1  3 LYS QG  1  4 HIS HA  0.000 . 4.457 4.107 3.819 4.250     .  0 0 "[    .    1]" 1 
        60 1  3 LYS QG  1  4 HIS QB  0.000 . 4.937 4.726 3.739 5.045 0.108  1 0 "[    .    1]" 1 
        61 1  3 LYS QG  1  7 LEU QD  0.000 . 4.791 4.168 3.855 4.748     .  0 0 "[    .    1]" 1 
        62 1  4 HIS H   1  4 HIS HA  0.000 . 2.986 2.854 2.828 2.886     .  0 0 "[    .    1]" 1 
        63 1  4 HIS H   1  4 HIS QB  0.000 . 2.939 2.282 2.208 2.695     .  0 0 "[    .    1]" 1 
        64 1  4 HIS H   1  4 HIS HD2 0.000 . 4.831 5.095 4.732 5.361 0.530  6 1 "[    .+   1]" 1 
        65 1  4 HIS H   1  5 LYS H   0.000 . 2.766 2.578 2.514 2.666     .  0 0 "[    .    1]" 1 
        66 1  4 HIS H   1  5 LYS QB  0.000 . 4.639 4.576 4.468 4.646 0.007  5 0 "[    .    1]" 1 
        67 1  4 HIS H   1  5 LYS QG  0.000 . 4.525 4.230 4.118 4.444     .  0 0 "[    .    1]" 1 
        68 1  4 HIS H   1  6 ILE H   0.000 . 4.581 4.353 4.069 4.568     .  0 0 "[    .    1]" 1 
        69 1  4 HIS HA  1  4 HIS QB  0.000 . 2.696 2.408 2.160 2.458     .  0 0 "[    .    1]" 1 
        70 1  4 HIS HA  1  4 HIS HD2 0.000 . 4.556 4.245 3.888 4.891 0.335  3 0 "[    .    1]" 1 
        71 1  4 HIS HA  1  5 LYS H   0.000 . 3.638 3.534 3.497 3.583     .  0 0 "[    .    1]" 1 
        72 1  4 HIS HA  1  5 LYS HA  0.000 . 4.985 4.858 4.835 4.884     .  0 0 "[    .    1]" 1 
        73 1  4 HIS HA  1  6 ILE H   0.000 . 4.747 4.607 4.449 4.784 0.037  9 0 "[    .    1]" 1 
        74 1  4 HIS HA  1  7 LEU H   0.000 . 4.035 3.701 3.617 3.746     .  0 0 "[    .    1]" 1 
        75 1  4 HIS HA  1  7 LEU HB2 0.000 . 3.815 3.596 3.530 3.719     .  0 0 "[    .    1]" 1 
        76 1  4 HIS HA  1  7 LEU HB3 0.000 . 3.779 3.191 3.095 3.261     .  0 0 "[    .    1]" 1 
        77 1  4 HIS HA  1  7 LEU QD  0.000 . 4.522 3.599 3.352 4.451     .  0 0 "[    .    1]" 1 
        78 1  4 HIS HA  1  8 .   HN  0.000 . 4.306 4.193 4.012 4.355 0.049  7 0 "[    .    1]" 1 
        79 1  4 HIS QB  1  5 LYS H   0.000 . 4.004 2.893 2.685 3.636     .  0 0 "[    .    1]" 1 
        80 1  4 HIS QB  1  5 LYS QB  0.000 . 4.840 4.676 4.509 5.315 0.476  3 0 "[    .    1]" 1 
        81 1  4 HIS QB  1  5 LYS QG  0.000 . 3.754 3.578 3.325 4.485 0.731  3 1 "[  + .    1]" 1 
        82 1  4 HIS HD2 1  5 LYS HA  0.000 . 4.956 6.291 4.624 7.366 2.410  9 6 "[** *. - +*]" 1 
        83 1  4 HIS HD2 1  5 LYS QG  0.000 . 4.256 5.796 3.783 7.013 2.757  9 6 "[** *. - +*]" 1 
        84 1  5 LYS H   1  5 LYS HA  0.000 . 2.957 2.839 2.823 2.857     .  0 0 "[    .    1]" 1 
        85 1  5 LYS H   1  5 LYS QB  0.000 . 2.516 2.385 2.349 2.419     .  0 0 "[    .    1]" 1 
        86 1  5 LYS H   1  5 LYS QD  0.000 . 4.017 4.009 3.846 4.120 0.103  6 0 "[    .    1]" 1 
        87 1  5 LYS H   1  5 LYS QE  0.000 . 4.611 4.606 4.496 4.773 0.162  3 0 "[    .    1]" 1 
        88 1  5 LYS H   1  5 LYS QG  0.000 . 2.743 2.395 2.312 2.503     .  0 0 "[    .    1]" 1 
        89 1  5 LYS H   1  6 ILE H   0.000 . 2.897 2.715 2.631 2.789     .  0 0 "[    .    1]" 1 
        90 1  5 LYS H   1  6 ILE QG  0.000 . 4.971 5.986 3.901 6.493 1.521 10 8 "[-***** * +]" 1 
        91 1  5 LYS H   1  6 ILE MG  0.000 . 4.276 4.296 3.897 6.009 1.732  7 1 "[    . +  1]" 1 
        92 1  5 LYS H   1  7 LEU H   0.000 . 4.320 4.222 4.111 4.271     .  0 0 "[    .    1]" 1 
        93 1  5 LYS HA  1  5 LYS QB  0.000 . 2.511 2.396 2.375 2.411     .  0 0 "[    .    1]" 1 
        94 1  5 LYS HA  1  5 LYS QD  0.000 . 3.937 3.893 3.837 3.979 0.042  4 0 "[    .    1]" 1 
        95 1  5 LYS HA  1  5 LYS QE  0.000 . 4.538 4.589 4.408 4.940 0.402  1 0 "[    .    1]" 1 
        96 1  5 LYS HA  1  5 LYS QG  0.000 . 2.579 2.328 2.277 2.396     .  0 0 "[    .    1]" 1 
        97 1  5 LYS HA  1  6 ILE H   0.000 . 3.690 3.602 3.569 3.634     .  0 0 "[    .    1]" 1 
        98 1  5 LYS HA  1  6 ILE HA  0.000 . 4.909 4.816 4.758 4.863     .  0 0 "[    .    1]" 1 
        99 1  5 LYS HA  1  7 LEU H   0.000 . 4.682 4.586 4.526 4.627     .  0 0 "[    .    1]" 1 
       100 1  5 LYS HA  1  8 .   HN  0.000 . 4.205 3.968 3.797 4.325 0.120  8 0 "[    .    1]" 1 
       101 1  5 LYS HA  1  9 ARG H   0.000 . 4.656 4.570 4.482 4.623     .  0 0 "[    .    1]" 1 
       102 1  5 LYS HA  1  9 ARG HG3 0.000 . 4.235 4.137 3.790 4.305 0.070  5 0 "[    .    1]" 1 
       103 1  5 LYS QB  1  5 LYS QD  0.000 . 2.221 2.123 2.102 2.146     .  0 0 "[    .    1]" 1 
       104 1  5 LYS QB  1  5 LYS QE  0.000 . 3.634 3.557 3.519 3.658 0.024  1 0 "[    .    1]" 1 
       105 1  5 LYS QB  1  5 LYS QG  0.000 . 2.396 2.085 2.078 2.090     .  0 0 "[    .    1]" 1 
       106 1  5 LYS QB  1  6 ILE H   0.000 . 2.627 2.569 2.448 2.635 0.007  5 0 "[    .    1]" 1 
       107 1  5 LYS QB  1  6 ILE HA  0.000 . 4.041 3.898 3.859 3.942     .  0 0 "[    .    1]" 1 
       108 1  5 LYS QB  1  6 ILE MD  0.000 . 3.010 4.644 2.910 5.356 2.346  9 9 "[****** *+-]" 1 
       109 1  5 LYS QB  1  6 ILE MG  0.000 . 4.291 4.165 3.215 5.071 0.780  7 1 "[    . +  1]" 1 
       110 1  5 LYS QB  1  7 LEU H   0.000 . 4.762 4.776 4.663 4.856 0.094  7 0 "[    .    1]" 1 
       111 1  5 LYS QB  1  9 ARG QD  0.000 . 4.073 4.086 3.728 4.358 0.285  4 0 "[    .    1]" 1 
       112 1  5 LYS QB  1  9 ARG HE  0.000 . 3.574 3.753 3.223 3.992 0.417 10 0 "[    .    1]" 1 
       113 1  5 LYS QB  1  9 ARG HG3 0.000 . 4.163 4.050 3.906 4.113     .  0 0 "[    .    1]" 1 
       114 1  5 LYS QB  1  9 ARG QH1 0.000 . 4.953 4.824 4.324 5.886 0.933  5 1 "[    +    1]" 1 
       115 1  5 LYS QB  1  9 ARG QH2 0.000 . 4.422 3.921 3.722 4.211     .  0 0 "[    .    1]" 1 
       116 1  5 LYS QD  1  5 LYS QG  0.000 . 2.471 2.087 2.077 2.099     .  0 0 "[    .    1]" 1 
       117 1  5 LYS QD  1  6 ILE H   0.000 . 4.815 4.815 4.686 4.906 0.091  6 0 "[    .    1]" 1 
       118 1  5 LYS QD  1  9 ARG HE  0.000 . 4.416 4.638 4.014 4.926 0.510  4 1 "[   +.    1]" 1 
       119 1  5 LYS QD  1  9 ARG QH2 0.000 . 4.010 3.637 3.462 3.849     .  0 0 "[    .    1]" 1 
       120 1  5 LYS QE  1  5 LYS QG  0.000 . 2.486 2.179 2.129 2.355     .  0 0 "[    .    1]" 1 
       121 1  5 LYS QE  1  9 ARG QH2 0.000 . 4.907 4.938 4.367 5.251 0.344  5 0 "[    .    1]" 1 
       122 1  5 LYS QG  1  6 ILE H   0.000 . 4.467 4.166 4.122 4.226     .  0 0 "[    .    1]" 1 
       123 1  6 ILE H   1  6 ILE HA  0.000 . 2.935 2.820 2.805 2.837     .  0 0 "[    .    1]" 1 
       124 1  6 ILE H   1  6 ILE HB  0.000 . 3.819 2.688 2.528 3.717     .  0 0 "[    .    1]" 1 
       125 1  6 ILE H   1  6 ILE MD  0.000 . 3.708 3.998 2.848 4.177 0.469  4 0 "[    .    1]" 1 
       126 1  6 ILE H   1  6 ILE QG  0.000 . 3.714 3.731 2.039 4.126 0.412  4 0 "[    .    1]" 1 
       127 1  6 ILE H   1  6 ILE MG  0.000 . 3.954 2.452 2.098 3.864     .  0 0 "[    .    1]" 1 
       128 1  6 ILE H   1  7 LEU H   0.000 . 2.896 2.742 2.716 2.796     .  0 0 "[    .    1]" 1 
       129 1  6 ILE H   1  7 LEU HB2 0.000 . 4.939 4.911 4.855 5.028 0.089  9 0 "[    .    1]" 1 
       130 1  6 ILE HA  1  6 ILE HB  0.000 . 3.138 2.525 2.443 3.022     .  0 0 "[    .    1]" 1 
       131 1  6 ILE HA  1  6 ILE MD  0.000 . 3.869 2.558 2.291 4.133 0.264  9 0 "[    .    1]" 1 
       132 1  6 ILE HA  1  6 ILE QG  0.000 . 3.704 2.874 2.722 3.356     .  0 0 "[    .    1]" 1 
       133 1  6 ILE HA  1  6 ILE MG  0.000 . 3.360 3.071 2.125 3.285     .  0 0 "[    .    1]" 1 
       134 1  6 ILE HA  1  7 LEU H   0.000 . 3.671 3.578 3.563 3.598     .  0 0 "[    .    1]" 1 
       135 1  6 ILE HA  1  7 LEU HA  0.000 . 4.991 4.887 4.823 4.912     .  0 0 "[    .    1]" 1 
       136 1  6 ILE HA  1  8 .   HN  0.000 . 4.768 4.821 4.666 5.258 0.490  8 0 "[    .    1]" 1 
       137 1  6 ILE HA  1  9 ARG H   0.000 . 3.882 3.729 3.662 3.875     .  0 0 "[    .    1]" 1 
       138 1  6 ILE HA  1  9 ARG QB  0.000 . 3.362 2.978 2.763 3.219     .  0 0 "[    .    1]" 1 
       139 1  6 ILE HA  1  9 ARG QD  0.000 . 4.275 3.253 3.005 3.461     .  0 0 "[    .    1]" 1 
       140 1  6 ILE HA  1  9 ARG HG3 0.000 . 3.794 3.771 3.548 3.967 0.174  8 0 "[    .    1]" 1 
       141 1  6 ILE HA  1 10 LEU H   0.000 . 4.611 4.453 4.218 4.580     .  0 0 "[    .    1]" 1 
       142 1  6 ILE HB  1  6 ILE MD  0.000 . 2.379 2.363 2.134 3.346 0.967  7 1 "[    . +  1]" 1 
       143 1  6 ILE HB  1  6 ILE QG  0.000 . 2.697 2.436 2.185 2.506     .  0 0 "[    .    1]" 1 
       144 1  6 ILE HB  1  6 ILE MG  0.000 . 2.206 2.092 2.059 2.118     .  0 0 "[    .    1]" 1 
       145 1  6 ILE HB  1  7 LEU H   0.000 . 4.131 3.944 2.697 4.098     .  0 0 "[    .    1]" 1 
       146 1  6 ILE HB  1  7 LEU HA  0.000 . 4.786 5.559 4.160 5.868 1.082  1 8 "[+***** - *]" 1 
       147 1  6 ILE MD  1  6 ILE QG  0.000 . 2.222 1.879 1.857 1.897     .  0 0 "[    .    1]" 1 
       148 1  6 ILE MD  1  7 LEU H   0.000 . 4.157 4.825 4.027 4.960 0.803  1 9 "[+*****-* *]" 1 
       149 1  6 ILE MD  1  9 ARG QB  0.000 . 3.902 4.003 3.523 5.845 1.944  9 2 "[    . - +1]" 1 
       150 1  6 ILE MD  1  9 ARG QD  0.000 . 3.947 3.904 3.424 6.351 2.404  9 1 "[    .   +1]" 1 
       151 1  6 ILE MD  1 10 LEU QB  0.000 . 4.786 4.584 4.118 6.048 1.262  7 1 "[    . +  1]" 1 
       152 1  6 ILE QG  1  6 ILE MG  0.000 . 2.320 2.052 1.950 2.270     .  0 0 "[    .    1]" 1 
       153 1  6 ILE QG  1  7 LEU H   0.000 . 4.309 3.814 2.417 4.017     .  0 0 "[    .    1]" 1 
       154 1  6 ILE QG  1  9 ARG QB  0.000 . 4.526 4.545 4.123 5.895 1.369  7 2 "[    . + -1]" 1 
       155 1  6 ILE QG  1 10 LEU QB  0.000 . 4.027 4.054 3.418 6.277 2.249  7 2 "[    . + -1]" 1 
       156 1  6 ILE MG  1  7 LEU H   0.000 . 3.832 2.593 2.027 4.245 0.413  9 0 "[    .    1]" 1 
       157 1  6 ILE MG  1  7 LEU HA  0.000 . 4.009 3.836 3.489 5.579 1.570  9 1 "[    .   +1]" 1 
       158 1  6 ILE MG  1  9 ARG QD  0.000 . 4.917 5.381 3.664 5.876 0.959 10 8 "[****-* * +]" 1 
       159 1  6 ILE MG  1 10 LEU H   0.000 . 4.543 5.387 4.443 5.599 1.056  9 9 "[****** *+-]" 1 
       160 1  7 LEU H   1  7 LEU HA  0.000 . 2.946 2.831 2.814 2.851     .  0 0 "[    .    1]" 1 
       161 1  7 LEU H   1  7 LEU HB2 0.000 . 2.529 2.365 2.327 2.429     .  0 0 "[    .    1]" 1 
       162 1  7 LEU H   1  7 LEU HB3 0.000 . 2.767 2.657 2.590 2.713     .  0 0 "[    .    1]" 1 
       163 1  7 LEU H   1  7 LEU QD  0.000 . 4.167 3.664 3.599 3.742     .  0 0 "[    .    1]" 1 
       164 1  7 LEU H   1  7 LEU HG  0.000 . 4.617 4.513 4.435 4.569     .  0 0 "[    .    1]" 1 
       165 1  7 LEU H   1  8 .   HN  0.000 . 3.096 2.813 2.720 2.996     .  0 0 "[    .    1]" 1 
       166 1  7 LEU HA  1  7 LEU HB2 0.000 . 2.637 2.543 2.510 2.565     .  0 0 "[    .    1]" 1 
       167 1  7 LEU HA  1  7 LEU HB3 0.000 . 3.132 3.021 3.009 3.033     .  0 0 "[    .    1]" 1 
       168 1  7 LEU HA  1  7 LEU QD  0.000 . 3.253 2.447 2.135 3.040     .  0 0 "[    .    1]" 1 
       169 1  7 LEU HA  1  7 LEU HG  0.000 . 2.844 2.835 2.426 3.873 1.028  6 1 "[    .+   1]" 1 
       170 1  7 LEU HA  1  8 .   HN  0.000 . 3.719 3.608 3.588 3.647     .  0 0 "[    .    1]" 1 
       171 1  7 LEU HA  1  9 ARG H   0.000 . 4.461 4.423 4.321 4.539 0.079  7 0 "[    .    1]" 1 
       172 1  7 LEU HA  1 10 LEU H   0.000 . 3.943 3.701 3.548 3.843     .  0 0 "[    .    1]" 1 
       173 1  7 LEU HA  1 10 LEU QB  0.000 . 3.652 3.163 3.057 3.354     .  0 0 "[    .    1]" 1 
       174 1  7 LEU HA  1 10 LEU QD  0.000 . 4.022 3.874 3.653 4.595 0.573  5 1 "[    +    1]" 1 
       175 1  7 LEU HA  1 11 LEU H   0.000 . 4.586 4.505 4.298 4.722 0.137  8 0 "[    .    1]" 1 
       176 1  7 LEU HA  1 11 LEU QB  0.000 . 4.823 4.742 4.463 4.911 0.088  8 0 "[    .    1]" 1 
       177 1  7 LEU HB2 1  7 LEU HG  0.000 . 3.093 2.900 2.411 3.008     .  0 0 "[    .    1]" 1 
       178 1  7 LEU HB2 1  8 .   HN  0.000 . 3.908 3.671 3.510 3.801     .  0 0 "[    .    1]" 1 
       179 1  7 LEU HB3 1  7 LEU HG  0.000 . 2.726 2.645 2.411 3.002 0.276  7 0 "[    .    1]" 1 
       180 1  7 LEU HB3 1  8 .   HN  0.000 . 2.793 2.364 2.049 2.546     .  0 0 "[    .    1]" 1 
       181 1  7 LEU HB3 1  9 ARG H   0.000 . 4.993 4.966 4.817 5.174 0.181  7 0 "[    .    1]" 1 
       182 1  7 LEU QD  1  7 LEU HG  0.000 . 2.182 1.873 1.854 1.893     .  0 0 "[    .    1]" 1 
       183 1  7 LEU QD  1  8 .   HN  0.000 . 3.913 3.605 3.258 3.823     .  0 0 "[    .    1]" 1 
       184 1  7 LEU QD  1 11 LEU H   0.000 . 4.838 4.826 3.850 5.159 0.322  8 0 "[    .    1]" 1 
       185 1  7 LEU QD  1 11 LEU QD  0.000 . 4.752 3.570 2.776 3.881     .  0 0 "[    .    1]" 1 
       186 1  7 LEU HG  1  8 .   HN  0.000 . 4.783 4.133 3.733 4.740     .  0 0 "[    .    1]" 1 
       187 1  8 .   HN  1  9 ARG H   0.000 . 3.122 2.902 2.798 3.099     .  0 0 "[    .    1]" 1 
       188 1  8 .   HN  1  9 ARG QB  0.000 . 4.950 4.905 4.754 5.061 0.111  8 0 "[    .    1]" 1 
       189 1  8 .   HN  1  9 ARG HG3 0.000 . 4.698 4.706 4.563 4.984 0.286  8 0 "[    .    1]" 1 
       190 1  8 .   HN  1 10 LEU H   0.000 . 4.640 4.539 4.442 4.743 0.103  8 0 "[    .    1]" 1 
       191 1  9 ARG H   1  9 ARG HA  0.000 . 2.985 2.857 2.836 2.885     .  0 0 "[    .    1]" 1 
       192 1  9 ARG H   1  9 ARG QB  0.000 . 2.678 2.383 2.324 2.442     .  0 0 "[    .    1]" 1 
       193 1  9 ARG H   1  9 ARG QD  0.000 . 4.180 4.000 3.915 4.080     .  0 0 "[    .    1]" 1 
       194 1  9 ARG H   1  9 ARG HG2 0.000 . 4.214 3.501 3.407 3.673     .  0 0 "[    .    1]" 1 
       195 1  9 ARG H   1  9 ARG HG3 0.000 . 3.344 2.447 2.326 2.554     .  0 0 "[    .    1]" 1 
       196 1  9 ARG H   1 10 LEU H   0.000 . 2.962 2.715 2.675 2.770     .  0 0 "[    .    1]" 1 
       197 1  9 ARG H   1 10 LEU QB  0.000 . 4.940 4.437 4.383 4.489     .  0 0 "[    .    1]" 1 
       198 1  9 ARG H   1 11 LEU H   0.000 . 4.376 4.123 4.032 4.244     .  0 0 "[    .    1]" 1 
       199 1  9 ARG HA  1  9 ARG QB  0.000 . 2.644 2.390 2.350 2.427     .  0 0 "[    .    1]" 1 
       200 1  9 ARG HA  1  9 ARG QD  0.000 . 3.867 3.903 3.855 3.982 0.115  5 0 "[    .    1]" 1 
       201 1  9 ARG HA  1  9 ARG HG2 0.000 . 2.996 2.432 2.380 2.484     .  0 0 "[    .    1]" 1 
       202 1  9 ARG HA  1  9 ARG HG3 0.000 . 4.008 3.114 3.006 3.196     .  0 0 "[    .    1]" 1 
       203 1  9 ARG HA  1 10 LEU H   0.000 . 3.683 3.568 3.544 3.589     .  0 0 "[    .    1]" 1 
       204 1  9 ARG HA  1 10 LEU HA  0.000 . 4.911 4.829 4.806 4.845     .  0 0 "[    .    1]" 1 
       205 1  9 ARG HA  1 11 LEU H   0.000 . 4.535 4.248 4.087 4.503     .  0 0 "[    .    1]" 1 
       206 1  9 ARG HA  1 12 .   HN  0.000 . 4.160 4.011 3.740 4.525 0.365 10 0 "[    .    1]" 1 
       207 1  9 ARG HA  1 13 ASP H   0.000 . 4.528 4.667 4.349 4.837 0.309  4 0 "[    .    1]" 1 
       208 1  9 ARG HA  1 13 ASP QB  0.000 . 4.818 4.751 4.305 5.556 0.738  4 1 "[   +.    1]" 1 
       209 1  9 ARG QB  1  9 ARG QD  0.000 . 2.484 2.118 2.097 2.145     .  0 0 "[    .    1]" 1 
       210 1  9 ARG QB  1  9 ARG HE  0.000 . 4.503 3.965 3.939 4.093     .  0 0 "[    .    1]" 1 
       211 1  9 ARG QB  1  9 ARG QH1 0.000 . 4.268 4.061 3.521 4.147     .  0 0 "[    .    1]" 1 
       212 1  9 ARG QB  1 10 LEU H   0.000 . 3.033 2.752 2.678 2.826     .  0 0 "[    .    1]" 1 
       213 1  9 ARG QB  1 10 LEU HA  0.000 . 4.561 3.963 3.907 4.002     .  0 0 "[    .    1]" 1 
       214 1  9 ARG QB  1 13 ASP QB  0.000 . 4.746 4.689 4.296 5.384 0.638  4 1 "[   +.    1]" 1 
       215 1  9 ARG QD  1  9 ARG HE  0.000 . 2.600 2.468 2.206 2.504     .  0 0 "[    .    1]" 1 
       216 1  9 ARG QD  1  9 ARG HG2 0.000 . 2.460 2.338 2.312 2.359     .  0 0 "[    .    1]" 1 
       217 1  9 ARG QD  1  9 ARG HG3 0.000 . 2.454 2.357 2.341 2.385     .  0 0 "[    .    1]" 1 
       218 1  9 ARG QD  1  9 ARG QH1 0.000 . 2.313 2.189 2.169 2.213     .  0 0 "[    .    1]" 1 
       219 1  9 ARG QD  1  9 ARG QH2 0.000 . 3.774 3.670 3.657 3.722     .  0 0 "[    .    1]" 1 
       220 1  9 ARG HE  1  9 ARG HG2 0.000 . 3.593 2.671 2.552 3.434     .  0 0 "[    .    1]" 1 
       221 1  9 ARG HE  1  9 ARG HG3 0.000 . 3.152 2.580 2.495 2.959     .  0 0 "[    .    1]" 1 
       222 1  9 ARG HE  1  9 ARG QH1 0.000 . 3.450 3.349 3.336 3.362     .  0 0 "[    .    1]" 1 
       223 1  9 ARG HE  1  9 ARG QH2 0.000 . 2.361 2.240 2.224 2.262     .  0 0 "[    .    1]" 1 
       224 1  9 ARG HG2 1  9 ARG QH1 0.000 . 4.555 4.277 2.445 4.517     .  0 0 "[    .    1]" 1 
       225 1  9 ARG HG2 1  9 ARG QH2 0.000 . 4.605 4.539 4.193 4.624 0.019  1 0 "[    .    1]" 1 
       226 1  9 ARG HG3 1  9 ARG QH1 0.000 . 4.571 4.408 3.745 4.514     .  0 0 "[    .    1]" 1 
       227 1  9 ARG HG3 1  9 ARG QH2 0.000 . 4.644 4.520 4.387 4.577     .  0 0 "[    .    1]" 1 
       228 1  9 ARG HG3 1 10 LEU H   0.000 . 4.626 4.566 4.510 4.665 0.039  5 0 "[    .    1]" 1 
       229 1 10 LEU H   1 10 LEU HA  0.000 . 2.957 2.837 2.819 2.856     .  0 0 "[    .    1]" 1 
       230 1 10 LEU H   1 10 LEU QB  0.000 . 2.532 2.221 2.196 2.248     .  0 0 "[    .    1]" 1 
       231 1 10 LEU H   1 10 LEU QD  0.000 . 3.992 3.657 3.597 3.726     .  0 0 "[    .    1]" 1 
       232 1 10 LEU H   1 10 LEU HG  0.000 . 4.627 4.515 4.483 4.576     .  0 0 "[    .    1]" 1 
       233 1 10 LEU H   1 11 LEU H   0.000 . 2.739 2.529 2.455 2.639     .  0 0 "[    .    1]" 1 
       234 1 10 LEU H   1 11 LEU QB  0.000 . 4.295 4.245 4.140 4.387 0.092 10 0 "[    .    1]" 1 
       235 1 10 LEU H   1 12 .   HN  0.000 . 4.721 4.751 4.622 5.023 0.302  1 0 "[    .    1]" 1 
       236 1 10 LEU H   1 13 ASP QB  0.000 . 4.964 4.845 4.584 5.117 0.152  3 0 "[    .    1]" 1 
       237 1 10 LEU HA  1 10 LEU QB  0.000 . 2.695 2.421 2.412 2.438     .  0 0 "[    .    1]" 1 
       238 1 10 LEU HA  1 10 LEU QD  0.000 . 3.463 2.418 2.294 2.538     .  0 0 "[    .    1]" 1 
       239 1 10 LEU HA  1 10 LEU HG  0.000 . 2.939 2.863 2.640 3.913 0.974  5 1 "[    +    1]" 1 
       240 1 10 LEU HA  1 11 LEU H   0.000 . 3.651 3.518 3.479 3.557     .  0 0 "[    .    1]" 1 
       241 1 10 LEU HA  1 13 ASP H   0.000 . 4.450 4.289 4.085 4.513 0.063  1 0 "[    .    1]" 1 
       242 1 10 LEU HA  1 13 ASP QB  0.000 . 3.842 3.036 2.675 3.287     .  0 0 "[    .    1]" 1 
       243 1 10 LEU QB  1 10 LEU QD  0.000 . 2.775 1.864 1.783 2.125     .  0 0 "[    .    1]" 1 
       244 1 10 LEU QB  1 10 LEU HG  0.000 . 2.752 2.443 2.149 2.484     .  0 0 "[    .    1]" 1 
       245 1 10 LEU QB  1 11 LEU H   0.000 . 3.057 2.764 2.676 2.879     .  0 0 "[    .    1]" 1 
       246 1 10 LEU QB  1 11 LEU HA  0.000 . 4.278 4.131 4.061 4.220     .  0 0 "[    .    1]" 1 
       247 1 10 LEU QB  1 11 LEU QB  0.000 . 4.070 3.841 3.749 3.977     .  0 0 "[    .    1]" 1 
       248 1 10 LEU QD  1 10 LEU HG  0.000 . 2.195 1.870 1.854 1.897     .  0 0 "[    .    1]" 1 
       249 1 10 LEU QD  1 11 LEU H   0.000 . 4.427 4.025 3.464 4.161     .  0 0 "[    .    1]" 1 
       250 1 10 LEU QD  1 11 LEU HA  0.000 . 4.407 4.293 3.142 4.484 0.077  6 0 "[    .    1]" 1 
       251 1 10 LEU QD  1 13 ASP QB  0.000 . 4.249 4.039 3.685 4.317 0.068  1 0 "[    .    1]" 1 
       252 1 10 LEU HG  1 11 LEU H   0.000 . 4.528 4.463 4.349 5.016 0.488  5 0 "[    .    1]" 1 
       253 1 10 LEU HG  1 11 LEU HA  0.000 . 4.521 4.615 4.416 5.813 1.292  5 1 "[    +    1]" 1 
       254 1 10 LEU HG  1 13 ASP QB  0.000 . 4.173 4.424 3.829 6.201 2.028  5 1 "[    +    1]" 1 
       255 1 11 LEU H   1 11 LEU HA  0.000 . 2.971 2.861 2.853 2.870     .  0 0 "[    .    1]" 1 
       256 1 11 LEU H   1 11 LEU QB  0.000 . 2.368 2.217 2.137 2.268     .  0 0 "[    .    1]" 1 
       257 1 11 LEU H   1 11 LEU QD  0.000 . 4.218 3.683 3.571 3.778     .  0 0 "[    .    1]" 1 
       258 1 11 LEU H   1 11 LEU HG  0.000 . 4.579 4.514 4.445 4.557     .  0 0 "[    .    1]" 1 
       259 1 11 LEU H   1 12 .   HN  0.000 . 3.265 2.902 2.789 3.096     .  0 0 "[    .    1]" 1 
       260 1 11 LEU H   1 13 ASP H   0.000 . 4.265 3.846 3.684 3.952     .  0 0 "[    .    1]" 1 
       261 1 11 LEU H   1 13 ASP QB  0.000 . 4.757 4.403 4.217 4.554     .  0 0 "[    .    1]" 1 
       262 1 11 LEU H   1 14 SER H   0.000 . 4.994 5.542 5.212 5.840 0.846  1 6 "[+ - * * **]" 1 
       263 1 11 LEU HA  1 11 LEU QB  0.000 . 2.632 2.423 2.388 2.505     .  0 0 "[    .    1]" 1 
       264 1 11 LEU HA  1 11 LEU QD  0.000 . 3.537 2.455 2.100 3.023     .  0 0 "[    .    1]" 1 
       265 1 11 LEU HA  1 11 LEU HG  0.000 . 3.917 2.953 2.376 3.826     .  0 0 "[    .    1]" 1 
       266 1 11 LEU HA  1 12 .   HN  0.000 . 3.753 3.641 3.615 3.670     .  0 0 "[    .    1]" 1 
       267 1 11 LEU HA  1 13 ASP H   0.000 . 4.359 3.763 3.669 3.861     .  0 0 "[    .    1]" 1 
       268 1 11 LEU HA  1 13 ASP QB  0.000 . 4.890 4.289 4.150 4.431     .  0 0 "[    .    1]" 1 
       269 1 11 LEU HA  1 14 SER H   0.000 . 4.331 3.954 3.508 4.396 0.066  1 0 "[    .    1]" 1 
       270 1 11 LEU QB  1 11 LEU QD  0.000 . 2.496 1.921 1.795 2.141     .  0 0 "[    .    1]" 1 
       271 1 11 LEU QB  1 11 LEU HG  0.000 . 2.572 2.405 2.154 2.476     .  0 0 "[    .    1]" 1 
       272 1 11 LEU QB  1 12 .   HN  0.000 . 2.631 2.143 2.023 2.330     .  0 0 "[    .    1]" 1 
       273 1 11 LEU QB  1 13 ASP H   0.000 . 4.640 4.200 4.063 4.310     .  0 0 "[    .    1]" 1 
       274 1 11 LEU QD  1 11 LEU HG  0.000 . 2.199 1.872 1.846 1.892     .  0 0 "[    .    1]" 1 
       275 1 11 LEU QD  1 12 .   HN  0.000 . 4.039 3.305 2.905 3.537     .  0 0 "[    .    1]" 1 
       276 1 11 LEU QD  1 13 ASP H   0.000 . 4.395 4.648 4.208 4.971 0.576  2 2 "[ +- .    1]" 1 
       277 1 11 LEU QD  1 14 SER QB  0.000 . 4.794 4.275 3.858 4.813 0.019  5 0 "[    .    1]" 1 
       278 1 11 LEU HG  1 12 .   HN  0.000 . 4.403 3.981 3.342 4.554 0.151  8 0 "[    .    1]" 1 
       279 1 12 .   HN  1 13 ASP H   0.000 . 3.079 2.814 2.713 2.927     .  0 0 "[    .    1]" 1 
       280 1 12 .   HN  1 13 ASP QB  0.000 . 4.617 4.498 4.411 4.592     .  0 0 "[    .    1]" 1 
       281 1 12 .   HN  1 14 SER H   0.000 . 4.821 4.809 4.703 4.966 0.146  9 0 "[    .    1]" 1 
       282 1 13 ASP H   1 13 ASP HA  0.000 . 2.945 2.836 2.826 2.850     .  0 0 "[    .    1]" 1 
       283 1 13 ASP H   1 13 ASP QB  0.000 . 2.378 2.247 2.125 2.281     .  0 0 "[    .    1]" 1 
       284 1 13 ASP H   1 14 SER H   0.000 . 2.806 2.641 2.521 2.708     .  0 0 "[    .    1]" 1 
       285 1 13 ASP H   1 14 SER QB  0.000 . 4.726 4.616 4.352 4.795 0.070  5 0 "[    .    1]" 1 
       286 1 13 ASP HA  1 13 ASP QB  0.000 . 2.628 2.401 2.363 2.528     .  0 0 "[    .    1]" 1 
       287 1 13 ASP HA  1 14 SER H   0.000 . 3.685 3.556 3.518 3.586     .  0 0 "[    .    1]" 1 
       288 1 13 ASP HA  1 14 SER HA  0.000 . 4.941 4.828 4.803 4.852     .  0 0 "[    .    1]" 1 
       289 1 13 ASP QB  1 14 SER H   0.000 . 2.879 2.529 2.353 2.694     .  0 0 "[    .    1]" 1 
       290 1 13 ASP QB  1 14 SER HA  0.000 . 4.499 4.150 3.878 4.241     .  0 0 "[    .    1]" 1 
       291 1 13 ASP QB  1 14 SER QB  0.000 . 4.542 4.161 3.829 4.393     .  0 0 "[    .    1]" 1 
       292 1 14 SER H   1 14 SER HA  0.000 . 2.979 2.863 2.853 2.879     .  0 0 "[    .    1]" 1 
       293 1 14 SER H   1 14 SER QB  0.000 . 2.888 2.410 2.285 2.632     .  0 0 "[    .    1]" 1 
       294 1 14 SER HA  1 14 SER QB  0.000 . 2.496 2.349 2.198 2.396     .  0 0 "[    .    1]" 1 
    stop_

save_



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