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
616064 5kzo 30147 cing 4-filtered-FRED Wattos check violation distance


data_5kzo


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              280
    _Distance_constraint_stats_list.Viol_count                    476
    _Distance_constraint_stats_list.Viol_total                    1255.941
    _Distance_constraint_stats_list.Viol_max                      1.000
    _Distance_constraint_stats_list.Viol_rms                      0.1285
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0449
    _Distance_constraint_stats_list.Viol_average_violations_only  0.2639
    _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  9 VAL  0.000 0.000  . 0 "[    .    1]" 
       1 10 GLN  1.319 0.357  4 0 "[    .    1]" 
       1 11 SER  0.000 0.000  . 0 "[    .    1]" 
       1 12 GLU  1.187 0.349  6 0 "[    .    1]" 
       1 13 THR  0.000 0.000  . 0 "[    .    1]" 
       1 14 VAL  1.739 0.357  4 0 "[    .    1]" 
       1 15 GLU  2.587 0.677  5 2 "[    +  - 1]" 
       1 16 PRO  2.159 0.677  5 2 "[    +  - 1]" 
       1 17 PRO  2.159 0.677  5 2 "[    +  - 1]" 
       1 19 PRO  0.315 0.110 10 0 "[    .    1]" 
       1 20 ALA  2.089 0.355  7 0 "[    .    1]" 
       1 21 GLN  0.910 0.184 10 0 "[    .    1]" 
       1 22 LEU  4.217 0.502  2 1 "[ +  .    1]" 
       1 23 HIS  2.920 0.573  3 1 "[  + .    1]" 
       1 24 PHE  3.168 0.355  7 0 "[    .    1]" 
       1 25 MET  6.669 0.573  3 1 "[  + .    1]" 
       1 26 TYR  4.898 0.502  2 1 "[ +  .    1]" 
       1 27 VAL  5.868 0.665  5 4 "[* * +   -1]" 
       1 28 ALA  0.349 0.084  1 0 "[    .    1]" 
       1 29 ALA  9.451 0.567  5 5 "[ -**+ *  1]" 
       1 30 ALA  3.756 0.545  8 1 "[    .  + 1]" 
       1 31 ALA 13.864 0.680  3 7 "[* +** **-1]" 
       1 32 PHE 12.343 0.978  1 8 "[+* *.****-]" 
       1 33 VAL 13.681 0.695  2 7 "[ +*** *-*1]" 
       1 34 LEU 14.053 0.978  1 8 "[+* *.-****]" 
       1 35 LEU 12.203 0.680  3 7 "[* +** **-1]" 
       1 36 PHE 11.107 0.822  4 6 "[ **+* - *1]" 
       1 37 PHE 11.919 0.695  2 6 "[ +***  -*1]" 
       1 38 VAL 13.160 0.822  4 6 "[ **+* - *1]" 
       1 39 GLY  6.366 0.464  8 0 "[    .    1]" 
       1 40 CYS  5.294 0.654  4 3 "[-  +. *  1]" 
       1 41 GLY 10.112 0.832  3 4 "[*-+ .   *1]" 
       1 42 VAL 15.216 0.710  5 5 "[-  *+ ** 1]" 
       1 43 LEU 10.648 1.000  7 3 "[    .*+- 1]" 
       1 44 LEU  5.485 0.480  4 0 "[    .    1]" 
       1 45 SER  9.911 1.000  7 6 "[*** .-+ *1]" 
       1 46 ARG  1.216 0.368  3 0 "[    .    1]" 
       1 47 LYS  5.082 0.548  3 2 "[  + .   -1]" 
       1 48 ARG  3.430 0.770  9 1 "[    .   +1]" 
       1 49 ARG  2.913 0.548  3 2 "[  + .   -1]" 
       1 50 ARG  1.622 0.770  9 1 "[    .   +1]" 
       1 51 GLN  2.217 0.548  3 2 "[  + .   -1]" 
       1 52 HIS  1.532 0.810  2 1 "[ +  .    1]" 
       1 53 GLY  0.000 0.000  . 0 "[    .    1]" 
       1 54 GLN  0.601 0.151  5 0 "[    .    1]" 
       1 55 LEU  1.404 0.810  2 1 "[ +  .    1]" 
       1 56 TRP  2.724 0.874  3 1 "[  + .    1]" 
       1 57 PHE  1.988 0.570  8 1 "[    .  + 1]" 
       1 58 PRO  2.600 0.874  3 1 "[  + .    1]" 
       1 59 GLU  2.097 0.570  8 1 "[    .  + 1]" 
    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  9 VAL QG  1 10 GLN H   4.200     . 5.200 3.535 3.101 3.923     .  0 0 "[    .    1]" 1 
         2 1 10 GLN H   1 10 GLN QG  4.200     . 5.200 3.537 2.507 4.505     .  0 0 "[    .    1]" 1 
         3 1 10 GLN H   1 11 SER H   4.200     . 5.200 3.572 1.812 4.622     .  0 0 "[    .    1]" 1 
         4 1 10 GLN H   1 11 SER H   4.200     . 5.200 2.808 1.811 3.964     .  0 0 "[    .    1]" 1 
         5 1 10 GLN H   1 14 VAL H   4.200     . 5.200 5.047 4.045 5.557 0.357  4 0 "[    .    1]" 1 
         6 1 10 GLN HA  1 11 SER H   4.200     . 5.200 2.793 2.222 3.567     .  0 0 "[    .    1]" 1 
         7 1 10 GLN QB  1 12 GLU H   4.200     . 5.200 4.039 2.390 5.415 0.215  3 0 "[    .    1]" 1 
         8 1 12 GLU H   1 13 THR H   4.200     . 5.200 2.958 2.619 3.595     .  0 0 "[    .    1]" 1 
         9 1 12 GLU HA  1 14 VAL H   3.500     . 4.200 3.596 2.917 4.199     .  0 0 "[    .    1]" 1 
        10 1 12 GLU HA  1 15 GLU H   4.200     . 5.200 4.384 3.623 5.383 0.183  1 0 "[    .    1]" 1 
        11 1 12 GLU QB  1 13 THR H   4.200     . 5.200 3.478 2.716 3.868     .  0 0 "[    .    1]" 1 
        12 1 12 GLU QG  1 13 THR H   4.200     . 5.200 3.677 2.869 4.756     .  0 0 "[    .    1]" 1 
        13 1 12 GLU QG  1 14 VAL H   4.200     . 5.200 4.712 1.984 5.549 0.349  6 0 "[    .    1]" 1 
        14 1 13 THR H   1 13 THR HB  4.200     . 5.200 3.358 2.761 3.850     .  0 0 "[    .    1]" 1 
        15 1 13 THR H   1 13 THR HG1 4.200     . 5.200 2.693 1.930 3.555     .  0 0 "[    .    1]" 1 
        16 1 13 THR HG1 1 14 VAL H   4.200     . 5.200 3.693 2.595 4.154     .  0 0 "[    .    1]" 1 
        17 1 14 VAL H   1 14 VAL HB  4.200     . 5.200 3.276 2.220 3.952     .  0 0 "[    .    1]" 1 
        18 1 14 VAL H   1 15 GLU H   4.200     . 5.200 2.875 2.004 3.751     .  0 0 "[    .    1]" 1 
        19 1 14 VAL HA  1 15 GLU H   2.800     . 3.400 3.037 2.110 3.487 0.087  1 0 "[    .    1]" 1 
        20 1 14 VAL QG  1 15 GLU H   4.200     . 5.200 3.395 2.708 3.919     .  0 0 "[    .    1]" 1 
        21 1 15 GLU H   1 16 PRO QG  4.200     . 5.200 5.203 4.408 5.877 0.677  5 2 "[    +  - 1]" 1 
        22 1 19 PRO HA  1 20 ALA H   2.800     . 3.400 2.285 2.080 2.543     .  0 0 "[    .    1]" 1 
        23 1 19 PRO HA  1 22 LEU H   4.200     . 5.200 5.005 4.638 5.295 0.095  2 0 "[    .    1]" 1 
        24 1 19 PRO QB  1 20 ALA H   4.200     . 5.200 3.255 2.744 3.715     .  0 0 "[    .    1]" 1 
        25 1 19 PRO QB  1 21 GLN H   4.200     . 5.200 2.671 2.053 3.169     .  0 0 "[    .    1]" 1 
        26 1 19 PRO QD  1 20 ALA H   4.200     . 5.200 4.963 4.873 5.089     .  0 0 "[    .    1]" 1 
        27 1 19 PRO QG  1 22 LEU H   4.200     . 5.200 3.962 2.941 5.310 0.110 10 0 "[    .    1]" 1 
        28 1 20 ALA H   1 20 ALA HA  2.800     . 3.400 2.864 2.724 2.957     .  0 0 "[    .    1]" 1 
        29 1 20 ALA H   1 21 GLN H   4.200     . 5.200 2.700 2.534 2.862     .  0 0 "[    .    1]" 1 
        30 1 20 ALA H   1 21 GLN QB  4.200     . 5.200 4.345 4.189 4.452     .  0 0 "[    .    1]" 1 
        31 1 20 ALA H   1 22 LEU H   4.200     . 5.200 4.491 4.299 4.691     .  0 0 "[    .    1]" 1 
        32 1 20 ALA H   1 22 LEU H   4.200     . 5.200 3.937 3.737 4.179     .  0 0 "[    .    1]" 1 
        33 1 20 ALA H   1 24 PHE QB  4.200     . 5.200 5.397 5.135 5.555 0.355  7 0 "[    .    1]" 1 
        34 1 21 GLN H   1 21 GLN HA  2.800     . 3.400 2.811 2.708 2.953     .  0 0 "[    .    1]" 1 
        35 1 21 GLN H   1 21 GLN QB  3.500     . 4.200 2.172 2.078 2.325     .  0 0 "[    .    1]" 1 
        36 1 21 GLN H   1 21 GLN QG  4.200     . 5.200 4.016 3.866 4.192     .  0 0 "[    .    1]" 1 
        37 1 21 GLN H   1 22 LEU H   3.500     . 4.200 2.893 2.686 3.010     .  0 0 "[    .    1]" 1 
        38 1 21 GLN H   1 22 LEU QB  4.200     . 5.200 4.799 4.483 5.102     .  0 0 "[    .    1]" 1 
        39 1 21 GLN H   1 24 PHE H   4.200     . 5.200 4.945 4.712 5.129     .  0 0 "[    .    1]" 1 
        40 1 21 GLN HA  1 22 LEU H   2.800     . 3.400 3.479 3.390 3.584 0.184 10 0 "[    .    1]" 1 
        41 1 21 GLN QG  1 22 LEU H   4.200     . 5.200 4.057 3.456 4.416     .  0 0 "[    .    1]" 1 
        42 1 21 GLN QG  1 25 MET H   4.200     . 5.200 4.760 3.975 5.309 0.109  1 0 "[    .    1]" 1 
        43 1 22 LEU H   1 22 LEU HA  2.800     . 3.400 2.941 2.875 3.068     .  0 0 "[    .    1]" 1 
        44 1 22 LEU H   1 22 LEU QB  2.800     . 3.400 2.326 2.074 2.546     .  0 0 "[    .    1]" 1 
        45 1 22 LEU H   1 23 HIS H   2.800     . 3.400 2.590 2.062 2.842     .  0 0 "[    .    1]" 1 
        46 1 22 LEU H   1 24 PHE QB  4.200     . 5.200 4.743 4.241 5.039     .  0 0 "[    .    1]" 1 
        47 1 22 LEU H   1 26 TYR H   4.200     . 5.200 5.482 5.235 5.702 0.502  2 1 "[ +  .    1]" 1 
        48 1 22 LEU HA  1 25 MET H   3.500     . 4.200 4.124 3.698 4.314 0.114  4 0 "[    .    1]" 1 
        49 1 22 LEU QB  1 23 HIS H   2.800     . 3.400 2.284 1.906 2.595     .  0 0 "[    .    1]" 1 
        50 1 23 HIS H   1 23 HIS QB  2.800     . 3.400 2.270 1.984 2.436     .  0 0 "[    .    1]" 1 
        51 1 23 HIS QB  1 25 MET H   3.500     . 4.200 4.492 4.376 4.773 0.573  3 1 "[  + .    1]" 1 
        52 1 24 PHE H   1 24 PHE HA  2.800     . 3.400 2.871 2.774 3.015     .  0 0 "[    .    1]" 1 
        53 1 24 PHE H   1 24 PHE QB  2.800     . 3.400 2.128 2.044 2.227     .  0 0 "[    .    1]" 1 
        54 1 24 PHE H   1 25 MET H   2.800     . 3.400 2.669 2.464 2.785     .  0 0 "[    .    1]" 1 
        55 1 24 PHE H   1 25 MET HA  4.200 3.200 5.200 5.298 5.102 5.453 0.253  8 0 "[    .    1]" 1 
        56 1 24 PHE H   1 26 TYR H   4.200     . 5.200 4.059 3.797 4.242     .  0 0 "[    .    1]" 1 
        57 1 24 PHE QB  1 25 MET H   3.500     . 4.200 2.743 2.442 3.228     .  0 0 "[    .    1]" 1 
        58 1 25 MET H   1 25 MET HA  2.800     . 3.400 2.937 2.853 3.007     .  0 0 "[    .    1]" 1 
        59 1 25 MET H   1 25 MET QB  2.800     . 3.400 2.405 2.192 2.565     .  0 0 "[    .    1]" 1 
        60 1 25 MET H   1 25 MET QG  3.500     . 4.200 4.056 3.852 4.163     .  0 0 "[    .    1]" 1 
        61 1 25 MET H   1 26 TYR H   2.800     . 3.400 2.535 2.312 2.775     .  0 0 "[    .    1]" 1 
        62 1 25 MET H   1 29 ALA H   2.800     . 3.400 2.492 2.103 2.839     .  0 0 "[    .    1]" 1 
        63 1 25 MET HA  1 26 TYR H   2.800     . 3.400 3.528 3.438 3.641 0.241  3 0 "[    .    1]" 1 
        64 1 25 MET QB  1 26 TYR H   2.800     . 3.400 2.787 2.510 2.939     .  0 0 "[    .    1]" 1 
        65 1 25 MET QG  1 26 TYR H   4.200     . 5.200 3.806 3.616 3.943     .  0 0 "[    .    1]" 1 
        66 1 25 MET QG  1 27 VAL H   4.200     . 5.200 5.243 4.851 5.424 0.224  4 0 "[    .    1]" 1 
        67 1 26 TYR H   1 26 TYR HA  2.800     . 3.400 2.797 2.716 2.862     .  0 0 "[    .    1]" 1 
        68 1 26 TYR H   1 26 TYR QB  2.800     . 3.400 2.268 2.143 2.460     .  0 0 "[    .    1]" 1 
        69 1 26 TYR H   1 27 VAL H   2.800     . 3.400 2.968 2.656 3.090     .  0 0 "[    .    1]" 1 
        70 1 26 TYR H   1 28 ALA MB  4.200     . 5.200 4.889 4.706 5.093     .  0 0 "[    .    1]" 1 
        71 1 26 TYR H   1 29 ALA H   4.200     . 5.200 4.922 4.738 5.070     .  0 0 "[    .    1]" 1 
        72 1 26 TYR H   1 29 ALA MB  4.200     . 5.200 4.744 4.489 4.995     .  0 0 "[    .    1]" 1 
        73 1 26 TYR HA  1 27 VAL H   3.500     . 4.200 3.475 3.262 3.612     .  0 0 "[    .    1]" 1 
        74 1 26 TYR HA  1 29 ALA H   4.200     . 5.200 3.646 3.378 4.111     .  0 0 "[    .    1]" 1 
        75 1 26 TYR HA  1 30 ALA H   4.200     . 5.200 3.500 3.216 3.915     .  0 0 "[    .    1]" 1 
        76 1 26 TYR QB  1 27 VAL H   2.800     . 3.400 3.009 2.790 3.338     .  0 0 "[    .    1]" 1 
        77 1 26 TYR QB  1 29 ALA H   4.200     . 5.200 5.261 5.132 5.545 0.345  2 0 "[    .    1]" 1 
        78 1 27 VAL H   1 27 VAL HA  2.800     . 3.400 2.920 2.820 3.061     .  0 0 "[    .    1]" 1 
        79 1 27 VAL H   1 27 VAL HB  2.800     . 3.400 2.682 2.340 3.021     .  0 0 "[    .    1]" 1 
        80 1 27 VAL H   1 27 VAL QG  2.800     . 3.400 2.411 2.018 2.733     .  0 0 "[    .    1]" 1 
        81 1 27 VAL H   1 28 ALA H   2.800     . 3.400 2.489 2.181 2.824     .  0 0 "[    .    1]" 1 
        82 1 27 VAL H   1 28 ALA HA  4.200     . 5.200 5.123 4.924 5.282 0.082 10 0 "[    .    1]" 1 
        83 1 27 VAL H   1 28 ALA MB  3.500     . 4.200 4.077 3.804 4.284 0.084  1 0 "[    .    1]" 1 
        84 1 27 VAL H   1 30 ALA H   4.200     . 5.200 4.614 4.232 4.901     .  0 0 "[    .    1]" 1 
        85 1 27 VAL H   1 31 ALA H   4.200     . 5.200 5.652 5.331 5.865 0.665  5 4 "[* * +   -1]" 1 
        86 1 27 VAL HA  1 28 ALA H   4.200     . 5.200 3.554 3.449 3.685     .  0 0 "[    .    1]" 1 
        87 1 27 VAL HB  1 28 ALA H   2.800     . 3.400 2.608 2.405 2.964     .  0 0 "[    .    1]" 1 
        88 1 27 VAL QG  1 29 ALA H   4.200     . 5.200 4.736 4.573 4.917     .  0 0 "[    .    1]" 1 
        89 1 27 VAL QG  1 30 ALA H   4.200     . 5.200 4.144 4.017 4.292     .  0 0 "[    .    1]" 1 
        90 1 28 ALA H   1 29 ALA H   4.200     . 5.200 2.941 2.788 3.192     .  0 0 "[    .    1]" 1 
        91 1 28 ALA H   1 29 ALA H   2.800     . 3.400 2.351 2.071 2.560     .  0 0 "[    .    1]" 1 
        92 1 28 ALA H   1 31 ALA H   4.200     . 5.200 4.693 4.504 4.854     .  0 0 "[    .    1]" 1 
        93 1 28 ALA HA  1 29 ALA H   3.500     . 4.200 3.573 3.432 3.634     .  0 0 "[    .    1]" 1 
        94 1 28 ALA MB  1 30 ALA H   2.800     . 3.400 2.219 2.069 2.364     .  0 0 "[    .    1]" 1 
        95 1 29 ALA H   1 30 ALA H   2.800     . 3.400 2.494 2.103 2.843     .  0 0 "[    .    1]" 1 
        96 1 29 ALA H   1 31 ALA H       .     . 3.400 3.801 3.669 3.895 0.495  4 0 "[    .    1]" 1 
        97 1 29 ALA H   1 32 PHE H   4.200     . 5.200 4.560 4.323 4.743     .  0 0 "[    .    1]" 1 
        98 1 29 ALA H   1 33 VAL H   4.200     . 5.200 5.665 5.454 5.767 0.567  5 5 "[ -**+ *  1]" 1 
        99 1 29 ALA MB  1 30 ALA H   2.800     . 3.400 2.554 2.231 2.766     .  0 0 "[    .    1]" 1 
       100 1 29 ALA MB  1 31 ALA H   4.200     . 5.200 4.534 4.298 4.723     .  0 0 "[    .    1]" 1 
       101 1 29 ALA MB  1 33 VAL H   4.200     . 5.200 4.501 4.248 4.789     .  0 0 "[    .    1]" 1 
       102 1 30 ALA H   1 31 ALA H   4.200     . 5.200 2.881 2.645 3.115     .  0 0 "[    .    1]" 1 
       103 1 30 ALA H   1 31 ALA MB  4.200     . 5.200 4.568 4.385 4.701     .  0 0 "[    .    1]" 1 
       104 1 30 ALA MB  1 32 PHE H   4.200     . 5.200 4.474 4.274 4.673     .  0 0 "[    .    1]" 1 
       105 1 30 ALA MB  1 33 VAL H   3.500     . 4.200 4.576 4.415 4.745 0.545  8 1 "[    .  + 1]" 1 
       106 1 31 ALA H   1 31 ALA HA  2.800     . 3.400 2.920 2.814 2.983     .  0 0 "[    .    1]" 1 
       107 1 31 ALA H   1 32 PHE H   3.500     . 4.200 2.537 2.270 2.745     .  0 0 "[    .    1]" 1 
       108 1 31 ALA H   1 32 PHE H   2.800     . 3.400 2.534 2.269 2.741     .  0 0 "[    .    1]" 1 
       109 1 31 ALA H   1 32 PHE QB  4.200     . 5.200 4.266 4.041 4.474     .  0 0 "[    .    1]" 1 
       110 1 31 ALA H   1 33 VAL H   4.200     . 5.200 4.048 3.743 4.317     .  0 0 "[    .    1]" 1 
       111 1 31 ALA H   1 35 LEU QB  4.200     . 5.200 5.734 5.324 5.880 0.680  3 7 "[* +** **-1]" 1 
       112 1 31 ALA HA  1 32 PHE H   3.500     . 4.200 3.474 3.347 3.532     .  0 0 "[    .    1]" 1 
       113 1 31 ALA HA  1 33 VAL H   4.200 3.200 5.200 4.215 4.010 4.366     .  0 0 "[    .    1]" 1 
       114 1 31 ALA MB  1 32 PHE H   2.800     . 3.400 2.848 2.425 2.993     .  0 0 "[    .    1]" 1 
       115 1 31 ALA MB  1 34 LEU H   4.200     . 5.200 4.663 4.378 4.811     .  0 0 "[    .    1]" 1 
       116 1 31 ALA MB  1 35 LEU H   4.200     . 5.200 4.571 4.029 4.969     .  0 0 "[    .    1]" 1 
       117 1 32 PHE H   1 32 PHE HA  2.800     . 3.400 2.907 2.839 2.966     .  0 0 "[    .    1]" 1 
       118 1 32 PHE H   1 32 PHE QB  2.800     . 3.400 2.262 2.124 2.448     .  0 0 "[    .    1]" 1 
       119 1 32 PHE H   1 33 VAL H   2.800     . 3.400 2.315 2.069 2.515     .  0 0 "[    .    1]" 1 
       120 1 32 PHE H   1 33 VAL HA  4.200     . 5.200 4.999 4.701 5.287 0.087 10 0 "[    .    1]" 1 
       121 1 32 PHE H   1 34 LEU H   2.800     . 3.400 3.680 3.513 3.965 0.565 10 1 "[    .    +]" 1 
       122 1 32 PHE H   1 34 LEU QD  4.200     . 5.200 5.873 5.603 6.178 0.978  1 7 "[+* *.*-**1]" 1 
       123 1 32 PHE H   1 37 PHE H   2.800     . 3.400 2.297 2.068 2.464     .  0 0 "[    .    1]" 1 
       124 1 32 PHE H   1 35 LEU QD  4.200     . 5.200 5.185 4.664 5.520 0.320  6 0 "[    .    1]" 1 
       125 1 32 PHE H   1 36 PHE H   4.200     . 5.200 5.389 5.176 5.512 0.312  1 0 "[    .    1]" 1 
       126 1 32 PHE HA  1 33 VAL H   3.500     . 4.200 3.629 3.514 3.704     .  0 0 "[    .    1]" 1 
       127 1 32 PHE QB  1 33 VAL H   2.800     . 3.400 2.804 2.550 2.963     .  0 0 "[    .    1]" 1 
       128 1 33 VAL H   1 33 VAL HA  2.800     . 3.400 2.919 2.803 3.049     .  0 0 "[    .    1]" 1 
       129 1 33 VAL H   1 33 VAL HB  2.800     . 3.400 2.414 2.125 2.587     .  0 0 "[    .    1]" 1 
       130 1 33 VAL H   1 33 VAL QG  2.800     . 3.400 2.495 2.247 2.872     .  0 0 "[    .    1]" 1 
       131 1 33 VAL H   1 34 LEU QB  4.200     . 5.200 4.391 4.234 4.535     .  0 0 "[    .    1]" 1 
       132 1 33 VAL H   1 36 PHE H   4.200     . 5.200 4.498 4.325 4.626     .  0 0 "[    .    1]" 1 
       133 1 33 VAL H   1 37 PHE H   4.200     . 5.200 5.719 5.476 5.895 0.695  2 6 "[ +***  -*1]" 1 
       134 1 33 VAL HA  1 34 LEU H   4.200     . 5.200 3.572 3.330 3.725     .  0 0 "[    .    1]" 1 
       135 1 33 VAL HA  1 35 LEU H   4.200     . 5.200 4.476 4.256 4.943     .  0 0 "[    .    1]" 1 
       136 1 33 VAL HA  1 36 PHE H   3.500     . 4.200 3.787 3.399 4.175     .  0 0 "[    .    1]" 1 
       137 1 33 VAL HB  1 34 LEU H   2.800     . 3.400 2.868 2.568 3.113     .  0 0 "[    .    1]" 1 
       138 1 33 VAL HB  1 35 LEU H   4.200     . 5.200 4.610 4.462 4.811     .  0 0 "[    .    1]" 1 
       139 1 33 VAL QG  1 34 LEU H   4.200     . 5.200 3.322 3.069 3.543     .  0 0 "[    .    1]" 1 
       140 1 34 LEU H   1 34 LEU HA  2.800     . 3.400 2.933 2.838 3.052     .  0 0 "[    .    1]" 1 
       141 1 34 LEU H   1 34 LEU QB  2.800     . 3.400 2.331 2.189 2.518     .  0 0 "[    .    1]" 1 
       142 1 34 LEU H   1 34 LEU QB  2.800     . 3.400 2.318 2.180 2.499     .  0 0 "[    .    1]" 1 
       143 1 34 LEU H   1 34 LEU QD  2.800     . 3.400 3.780 3.265 3.962 0.562  1 4 "[+   .-** 1]" 1 
       144 1 34 LEU H   1 35 LEU H   2.800     . 3.400 2.560 2.377 2.738     .  0 0 "[    .    1]" 1 
       145 1 34 LEU H   1 36 PHE H   4.200     . 5.200 3.970 3.601 4.214     .  0 0 "[    .    1]" 1 
       146 1 34 LEU H   1 36 PHE QB  4.200     . 5.200 5.087 4.875 5.221 0.021  2 0 "[    .    1]" 1 
       147 1 34 LEU QB  1 35 LEU H   4.200     . 5.200 2.834 2.489 3.072     .  0 0 "[    .    1]" 1 
       148 1 34 LEU QB  1 35 LEU H   2.800     . 3.400 2.034 1.870 2.136     .  0 0 "[    .    1]" 1 
       149 1 34 LEU QB  1 37 PHE H   4.200     . 5.200 4.911 4.499 5.183     .  0 0 "[    .    1]" 1 
       150 1 34 LEU QD  1 35 LEU H   4.200     . 5.200 4.041 3.553 4.264     .  0 0 "[    .    1]" 1 
       151 1 34 LEU QD  1 36 PHE H   4.200     . 5.200 4.669 4.371 4.892     .  0 0 "[    .    1]" 1 
       152 1 34 LEU HG  1 37 PHE H   4.200     . 5.200 5.246 5.146 5.425 0.225  8 0 "[    .    1]" 1 
       153 1 35 LEU H   1 35 LEU HA  2.800     . 3.400 2.903 2.841 2.966     .  0 0 "[    .    1]" 1 
       154 1 35 LEU H   1 35 LEU QD  2.800     . 3.400 3.689 3.514 3.819 0.419  9 0 "[    .    1]" 1 
       155 1 35 LEU H   1 36 PHE H   3.500     . 4.200 2.298 2.068 2.465     .  0 0 "[    .    1]" 1 
       156 1 35 LEU H   1 36 PHE QB  4.200     . 5.200 4.292 4.045 4.615     .  0 0 "[    .    1]" 1 
       157 1 35 LEU H   1 39 GLY H   4.200     . 5.200 5.517 5.244 5.664 0.464  8 0 "[    .    1]" 1 
       158 1 35 LEU QD  1 36 PHE H   4.200     . 5.200 3.961 3.494 4.422     .  0 0 "[    .    1]" 1 
       159 1 36 PHE H   1 36 PHE QB  2.800     . 3.400 2.390 2.133 2.692     .  0 0 "[    .    1]" 1 
       160 1 36 PHE H   1 38 VAL H   2.800     . 3.400 2.514 2.356 2.639     .  0 0 "[    .    1]" 1 
       161 1 36 PHE H   1 41 GLY H   4.200     . 5.200 5.261 4.942 5.529 0.329  8 0 "[    .    1]" 1 
       162 1 36 PHE H   1 38 VAL HB  4.200     . 5.200 5.343 5.254 5.464 0.264  7 0 "[    .    1]" 1 
       163 1 36 PHE HA  1 37 PHE H   2.800     . 3.400 3.494 3.391 3.641 0.241  9 0 "[    .    1]" 1 
       164 1 36 PHE HA  1 38 VAL H   2.800     . 3.400 3.959 3.756 4.222 0.822  4 6 "[ **+* - *1]" 1 
       165 1 36 PHE HA  1 40 CYS H   3.500     . 4.200 3.303 2.816 3.638     .  0 0 "[    .    1]" 1 
       166 1 36 PHE QB  1 37 PHE H   2.800     . 3.400 3.005 2.685 3.248     .  0 0 "[    .    1]" 1 
       167 1 36 PHE QB  1 37 PHE H   2.800     . 3.400 2.252 2.116 2.505     .  0 0 "[    .    1]" 1 
       168 1 36 PHE QB  1 38 VAL H   2.800     . 3.400 3.265 3.034 3.458 0.058  7 0 "[    .    1]" 1 
       169 1 37 PHE H   1 38 VAL H   4.200     . 5.200 2.540 2.368 2.671     .  0 0 "[    .    1]" 1 
       170 1 37 PHE H   1 38 VAL HA  4.200     . 5.200 5.328 5.258 5.435 0.235  9 0 "[    .    1]" 1 
       171 1 37 PHE H   1 38 VAL QG  3.500     . 4.200 4.170 3.987 4.348 0.148  8 0 "[    .    1]" 1 
       172 1 37 PHE H   1 39 GLY H   4.200     . 5.200 4.092 3.955 4.246     .  0 0 "[    .    1]" 1 
       173 1 37 PHE QB  1 39 GLY H   4.200     . 5.200 5.193 5.015 5.372 0.172  7 0 "[    .    1]" 1 
       174 1 38 VAL H   1 38 VAL HA  2.800     . 3.400 3.019 2.951 3.086     .  0 0 "[    .    1]" 1 
       175 1 38 VAL H   1 38 VAL HB  2.800     . 3.400 2.390 2.262 2.641     .  0 0 "[    .    1]" 1 
       176 1 38 VAL H   1 38 VAL QG  2.800     . 3.400 2.645 2.521 2.901     .  0 0 "[    .    1]" 1 
       177 1 38 VAL H   1 39 GLY H   2.800     . 3.400 2.302 2.102 2.567     .  0 0 "[    .    1]" 1 
       178 1 38 VAL H   1 40 CYS H   4.200     . 5.200 3.830 3.493 4.164     .  0 0 "[    .    1]" 1 
       179 1 38 VAL HA  1 42 VAL H   2.800     . 3.400 3.750 3.483 4.110 0.710  5 1 "[    +    1]" 1 
       180 1 38 VAL HB  1 39 GLY H   2.800     . 3.400 2.785 2.691 2.856     .  0 0 "[    .    1]" 1 
       181 1 38 VAL HB  1 41 GLY H   4.200     . 5.200 5.262 5.050 5.587 0.387  2 0 "[    .    1]" 1 
       182 1 38 VAL QG  1 39 GLY H   2.800     . 3.400 3.244 2.971 3.398     .  0 0 "[    .    1]" 1 
       183 1 38 VAL QG  1 40 CYS H   4.200     . 5.200 4.655 4.525 4.788     .  0 0 "[    .    1]" 1 
       184 1 39 GLY H   1 40 CYS H   2.800     . 3.400 2.538 2.428 2.667     .  0 0 "[    .    1]" 1 
       185 1 39 GLY H   1 40 CYS H   2.800     . 3.400 2.494 2.393 2.605     .  0 0 "[    .    1]" 1 
       186 1 39 GLY H   1 41 GLY H       .     . 3.400 3.679 3.534 3.793 0.393  8 0 "[    .    1]" 1 
       187 1 39 GLY H   1 42 VAL H   4.200     . 5.200 4.670 4.483 4.865     .  0 0 "[    .    1]" 1 
       188 1 40 CYS H   1 40 CYS HA  2.800     . 3.400 2.926 2.857 2.990     .  0 0 "[    .    1]" 1 
       189 1 40 CYS H   1 40 CYS QB  2.800     . 3.400 2.265 2.178 2.384     .  0 0 "[    .    1]" 1 
       190 1 40 CYS H   1 42 VAL H   2.800     . 3.400 3.818 3.601 4.054 0.654  4 3 "[-  +. *  1]" 1 
       191 1 40 CYS H   1 43 LEU QD  4.200     . 5.200 4.493 3.977 4.961     .  0 0 "[    .    1]" 1 
       192 1 40 CYS HA  1 41 GLY H   4.200     . 5.200 3.639 3.524 3.766     .  0 0 "[    .    1]" 1 
       193 1 40 CYS HA  1 42 VAL H   3.500     . 4.200 4.132 3.845 4.374 0.174  8 0 "[    .    1]" 1 
       194 1 40 CYS HA  1 43 LEU H   3.500     . 4.200 3.879 3.458 4.075     .  0 0 "[    .    1]" 1 
       195 1 40 CYS QB  1 41 GLY H   3.500     . 4.200 2.734 2.418 2.975     .  0 0 "[    .    1]" 1 
       196 1 40 CYS QB  1 44 LEU H   4.200     . 5.200 5.215 4.917 5.399 0.199  7 0 "[    .    1]" 1 
       197 1 41 GLY H   1 42 VAL H   2.800     . 3.400 2.593 2.342 2.943     .  0 0 "[    .    1]" 1 
       198 1 41 GLY H   1 43 LEU QD  4.200     . 5.200 4.877 4.541 5.214 0.014  4 0 "[    .    1]" 1 
       199 1 41 GLY H   1 43 LEU HG  4.200     . 5.200 4.915 4.554 5.147     .  0 0 "[    .    1]" 1 
       200 1 41 GLY H   1 45 SER H   4.200     . 5.200 5.732 5.498 6.032 0.832  3 4 "[*-+ .   *1]" 1 
       201 1 42 VAL H   1 43 LEU H   3.500     . 4.200 2.554 2.309 2.652     .  0 0 "[    .    1]" 1 
       202 1 42 VAL H   1 43 LEU HA  4.200     . 5.200 5.195 4.994 5.313 0.113  9 0 "[    .    1]" 1 
       203 1 42 VAL H   1 43 LEU QB  4.200     . 5.200 4.985 4.709 5.238 0.038  6 0 "[    .    1]" 1 
       204 1 42 VAL H   1 43 LEU HG  2.800     . 3.400 3.729 3.584 3.921 0.521  8 1 "[    .  + 1]" 1 
       205 1 42 VAL H   1 44 LEU H   2.800     . 3.400 3.745 3.602 3.880 0.480  4 0 "[    .    1]" 1 
       206 1 42 VAL H   1 45 SER H   4.200     . 5.200 4.506 4.211 4.747     .  0 0 "[    .    1]" 1 
       207 1 43 LEU H   1 43 LEU HA  2.800     . 3.400 2.925 2.829 3.027     .  0 0 "[    .    1]" 1 
       208 1 43 LEU H   1 43 LEU QB  3.500     . 4.200 2.753 2.405 2.968     .  0 0 "[    .    1]" 1 
       209 1 43 LEU H   1 43 LEU QD  3.500     . 4.200 2.861 2.626 3.036     .  0 0 "[    .    1]" 1 
       210 1 43 LEU H   1 43 LEU HG  2.800     . 3.400 1.851 1.704 2.127 0.096  2 0 "[    .    1]" 1 
       211 1 43 LEU H   1 44 LEU H   3.500     . 4.200 2.515 2.318 2.671     .  0 0 "[    .    1]" 1 
       212 1 43 LEU H   1 45 SER H   4.200     . 5.200 3.914 3.685 4.086     .  0 0 "[    .    1]" 1 
       213 1 43 LEU HA  1 45 SER H   2.800     . 3.400 3.841 3.621 4.400 1.000  7 2 "[    .-+  1]" 1 
       214 1 43 LEU QB  1 44 LEU H   2.800     . 3.400 3.414 2.591 3.648 0.248  8 0 "[    .    1]" 1 
       215 1 43 LEU QB  1 45 SER H   4.200     . 5.200 4.851 4.345 5.255 0.055  7 0 "[    .    1]" 1 
       216 1 43 LEU QB  1 46 ARG H   4.200     . 5.200 5.118 4.541 5.568 0.368  3 0 "[    .    1]" 1 
       217 1 43 LEU QD  1 45 SER H   4.200     . 5.200 4.683 4.417 5.159     .  0 0 "[    .    1]" 1 
       218 1 44 LEU H   1 45 SER H       .     . 3.400 2.494 2.143 2.605     .  0 0 "[    .    1]" 1 
       219 1 44 LEU H   1 46 ARG H   4.200     . 5.200 4.538 3.897 5.218 0.018  3 0 "[    .    1]" 1 
       220 1 45 SER H   1 46 ARG H   2.800     . 3.400 2.956 2.486 3.532 0.132  8 0 "[    .    1]" 1 
       221 1 46 ARG H   1 47 LYS QG  4.200     . 5.200 4.927 4.066 5.280 0.080  1 0 "[    .    1]" 1 
       222 1 47 LYS H   1 47 LYS QB  2.800     . 3.400 3.357 2.635 3.594 0.194  6 0 "[    .    1]" 1 
       223 1 47 LYS H   1 47 LYS QG  4.200     . 5.200 2.903 2.728 3.242     .  0 0 "[    .    1]" 1 
       224 1 47 LYS H   1 47 LYS QG  4.200     . 5.200 2.892 2.723 3.217     .  0 0 "[    .    1]" 1 
       225 1 47 LYS H   1 48 ARG H   4.200     . 5.200 2.301 1.578 3.167 0.222 10 0 "[    .    1]" 1 
       226 1 47 LYS H   1 48 ARG QB  2.800     . 3.400 3.597 3.343 3.828 0.428  4 0 "[    .    1]" 1 
       227 1 47 LYS QB  1 49 ARG H   3.500     . 4.200 4.030 2.910 4.748 0.548  3 2 "[  + .   -1]" 1 
       228 1 47 LYS QG  1 48 ARG H   4.200     . 5.200 2.692 1.535 4.674 0.265  8 0 "[    .    1]" 1 
       229 1 48 ARG H   1 48 ARG HA  2.800     . 3.400 2.457 2.162 2.838     .  0 0 "[    .    1]" 1 
       230 1 48 ARG H   1 48 ARG QB  2.800     . 3.400 2.657 2.097 3.163     .  0 0 "[    .    1]" 1 
       231 1 48 ARG H   1 48 ARG QB  2.800     . 3.400 2.630 2.095 3.035     .  0 0 "[    .    1]" 1 
       232 1 48 ARG H   1 48 ARG QG  4.200     . 5.200 3.933 3.312 4.362     .  0 0 "[    .    1]" 1 
       233 1 48 ARG QB  1 49 ARG H   2.800     . 3.400 3.068 2.326 3.447 0.047 10 0 "[    .    1]" 1 
       234 1 48 ARG QG  1 49 ARG H   4.200     . 5.200 3.347 2.306 4.001     .  0 0 "[    .    1]" 1 
       235 1 48 ARG QG  1 50 ARG H   2.800     . 3.400 2.659 1.875 4.170 0.770  9 1 "[    .   +1]" 1 
       236 1 49 ARG H   1 49 ARG HA  2.800     . 3.400 2.609 2.158 2.997     .  0 0 "[    .    1]" 1 
       237 1 49 ARG H   1 50 ARG H   3.500     . 4.200 3.374 2.574 4.457 0.257  9 0 "[    .    1]" 1 
       238 1 49 ARG H   1 50 ARG QD  4.200     . 5.200 4.924 4.298 5.443 0.243 10 0 "[    .    1]" 1 
       239 1 50 ARG H   1 50 ARG HA  2.800     . 3.400 2.721 2.221 2.965     .  0 0 "[    .    1]" 1 
       240 1 50 ARG H   1 50 ARG QB  2.800     . 3.400 2.845 2.204 3.374     .  0 0 "[    .    1]" 1 
       241 1 50 ARG H   1 50 ARG QD  4.200     . 5.200 3.619 1.848 4.630     .  0 0 "[    .    1]" 1 
       242 1 50 ARG QG  1 51 GLN H   4.200     . 5.200 4.129 3.713 4.527     .  0 0 "[    .    1]" 1 
       243 1 51 GLN H   1 51 GLN HA  2.800     . 3.400 2.583 2.199 3.000     .  0 0 "[    .    1]" 1 
       244 1 51 GLN H   1 51 GLN QG  4.200     . 5.200 3.543 2.686 4.591     .  0 0 "[    .    1]" 1 
       245 1 51 GLN H   1 54 GLN QB  2.800     . 3.400 3.351 2.931 3.551 0.151  5 0 "[    .    1]" 1 
       246 1 51 GLN HA  1 52 HIS H   2.800     . 3.400 2.608 2.169 3.338     .  0 0 "[    .    1]" 1 
       247 1 51 GLN QG  1 52 HIS H   4.200     . 5.200 3.836 2.762 4.526     .  0 0 "[    .    1]" 1 
       248 1 52 HIS H   1 52 HIS QB  2.800     . 3.400 3.215 2.365 3.505 0.105  5 0 "[    .    1]" 1 
       249 1 52 HIS H   1 55 LEU QB  2.800     . 3.400 3.172 2.438 4.210 0.810  2 1 "[ +  .    1]" 1 
       250 1 52 HIS QB  1 54 GLN H   4.200     . 5.200 4.410 3.909 4.722     .  0 0 "[    .    1]" 1 
       251 1 53 GLY H   1 53 GLY HA3 2.800     . 3.400 2.352 2.178 2.946     .  0 0 "[    .    1]" 1 
       252 1 53 GLY H   1 54 GLN H   4.200     . 5.200 3.070 2.624 3.425     .  0 0 "[    .    1]" 1 
       253 1 53 GLY HA3 1 54 GLN H   4.200     . 5.200 3.368 3.149 3.545     .  0 0 "[    .    1]" 1 
       254 1 54 GLN H   1 54 GLN QG  4.200     . 5.200 4.033 2.512 4.462     .  0 0 "[    .    1]" 1 
       255 1 54 GLN H   1 56 TRP H   4.200     . 5.200 3.501 3.180 3.905     .  0 0 "[    .    1]" 1 
       256 1 54 GLN H   1 55 LEU QB  4.200     . 5.200 3.107 2.765 3.295     .  0 0 "[    .    1]" 1 
       257 1 54 GLN HA  1 55 LEU H   2.800     . 3.400 3.129 2.882 3.431 0.031  2 0 "[    .    1]" 1 
       258 1 54 GLN QB  1 56 TRP H   4.200     . 5.200 4.773 3.995 5.152     .  0 0 "[    .    1]" 1 
       259 1 54 GLN QG  1 55 LEU H   4.200     . 5.200 4.451 3.328 4.893     .  0 0 "[    .    1]" 1 
       260 1 54 GLN QG  1 56 TRP H   4.200     . 5.200 4.438 3.608 5.323 0.123  9 0 "[    .    1]" 1 
       261 1 55 LEU H   1 55 LEU QB  3.500     . 4.200 2.158 1.871 2.376     .  0 0 "[    .    1]" 1 
       262 1 55 LEU H   1 55 LEU QD  4.200     . 5.200 3.730 3.556 3.899     .  0 0 "[    .    1]" 1 
       263 1 55 LEU H   1 56 TRP H   4.200     . 5.200 3.574 3.224 3.992     .  0 0 "[    .    1]" 1 
       264 1 55 LEU H   1 57 PHE H   4.200     . 5.200 4.169 3.875 4.755     .  0 0 "[    .    1]" 1 
       265 1 55 LEU H   1 59 GLU H   4.200     . 5.200 4.122 3.563 4.783     .  0 0 "[    .    1]" 1 
       266 1 55 LEU HA  1 56 TRP H   3.500     . 4.200 2.335 2.047 2.704     .  0 0 "[    .    1]" 1 
       267 1 55 LEU QB  1 59 GLU H   4.200     . 5.200 4.985 4.591 5.309 0.109  3 0 "[    .    1]" 1 
       268 1 55 LEU QB  1 56 TRP H   4.200     . 5.200 3.933 3.827 3.999     .  0 0 "[    .    1]" 1 
       269 1 55 LEU QD  1 56 TRP H   4.200     . 5.200 3.646 2.958 4.073     .  0 0 "[    .    1]" 1 
       270 1 55 LEU QD  1 57 PHE H   4.200     . 5.200 4.497 4.105 4.768     .  0 0 "[    .    1]" 1 
       271 1 56 TRP H   1 57 PHE H   4.200     . 5.200 3.544 3.371 3.763     .  0 0 "[    .    1]" 1 
       272 1 56 TRP H   1 58 PRO HA  4.200     . 5.200 5.454 5.137 6.074 0.874  3 1 "[  + .    1]" 1 
       273 1 56 TRP QB  1 57 PHE H   4.200     . 5.200 2.764 2.332 3.566     .  0 0 "[    .    1]" 1 
       274 1 57 PHE H   1 58 PRO QD  4.200     . 5.200 4.279 3.974 4.482     .  0 0 "[    .    1]" 1 
       275 1 57 PHE H   1 59 GLU QB  4.200     . 5.200 5.207 4.808 5.544 0.344  8 0 "[    .    1]" 1 
       276 1 57 PHE HA  1 59 GLU H   4.200     . 5.200 5.066 4.325 5.770 0.570  8 1 "[    .  + 1]" 1 
       277 1 58 PRO HA  1 59 GLU H   3.500     . 4.200 2.348 1.998 2.760     .  0 0 "[    .    1]" 1 
       278 1 58 PRO QB  1 59 GLU H   4.200     . 5.200 3.431 2.810 3.729     .  0 0 "[    .    1]" 1 
       279 1 58 PRO QD  1 59 GLU H   4.200     . 5.200 4.375 3.751 4.889     .  0 0 "[    .    1]" 1 
       280 1 58 PRO QG  1 59 GLU H   4.200     . 5.200 4.609 4.319 4.798     .  0 0 "[    .    1]" 1 
    stop_

save_



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