NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing in_recoord stage program type subtype subsubtype
387798 1mpz 5410 cing recoord 4-filtered-FRED Wattos check violation distance


data_1mpz


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              274
    _Distance_constraint_stats_list.Viol_count                    301
    _Distance_constraint_stats_list.Viol_total                    554.843
    _Distance_constraint_stats_list.Viol_max                      0.613
    _Distance_constraint_stats_list.Viol_rms                      0.0320
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0042
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0838
    _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  1 CYS 0.000 0.000  . 0 "[    .    1    .    2  ]" 
       1  2 THR 0.581 0.062 19 0 "[    .    1    .    2  ]" 
       1  3 THR 1.267 0.066 10 0 "[    .    1    .    2  ]" 
       1  4 GLY 0.000 0.000  . 0 "[    .    1    .    2  ]" 
       1  5 PRO 0.000 0.000  . 0 "[    .    1    .    2  ]" 
       1  6 CYS 6.073 0.613 11 2 "[    .    1+-  .    2  ]" 
       1  7 CYS 1.147 0.613 11 1 "[    .    1+   .    2  ]" 
       1  8 ARG 1.710 0.542  9 1 "[    .   +1    .    2  ]" 
       1  9 GLN 2.204 0.287 21 0 "[    .    1    .    2  ]" 
       1 10 CYS 7.593 0.542  9 2 "[    .   +1 -  .    2  ]" 
       1 11 LYS 1.167 0.335 20 0 "[    .    1    .    2  ]" 
       1 12 LEU 1.691 0.335 20 0 "[    .    1    .    2  ]" 
       1 13 LYS 0.427 0.128  9 0 "[    .    1    .    2  ]" 
       1 14 PRO 0.268 0.162 15 0 "[    .    1    .    2  ]" 
       1 15 ALA 0.277 0.162 15 0 "[    .    1    .    2  ]" 
       1 16 GLY 0.000 0.000  . 0 "[    .    1    .    2  ]" 
       1 17 THR 1.664 0.434 19 0 "[    .    1    .    2  ]" 
       1 18 THR 3.387 0.495 15 0 "[    .    1    .    2  ]" 
       1 19 CYS 1.749 0.495 15 0 "[    .    1    .    2  ]" 
       1 20 TRP 0.714 0.236  6 0 "[    .    1    .    2  ]" 
       1 21 LYS 0.016 0.009 18 0 "[    .    1    .    2  ]" 
       1 22 THR 2.017 0.463 18 0 "[    .    1    .    2  ]" 
       1 23 SER 0.006 0.006  6 0 "[    .    1    .    2  ]" 
       1 24 LEU 0.069 0.018  9 0 "[    .    1    .    2  ]" 
       1 25 THR 2.405 0.463 18 0 "[    .    1    .    2  ]" 
       1 26 SER 0.000 0.000  . 0 "[    .    1    .    2  ]" 
       1 27 HIS 0.220 0.026 11 0 "[    .    1    .    2  ]" 
       1 28 TYR 0.285 0.236  6 0 "[    .    1    .    2  ]" 
       1 29 CYS 1.305 0.352  1 0 "[    .    1    .    2  ]" 
       1 30 THR 0.923 0.352  1 0 "[    .    1    .    2  ]" 
       1 31 GLY 0.174 0.102 10 0 "[    .    1    .    2  ]" 
       1 32 LYS 0.602 0.059 17 0 "[    .    1    .    2  ]" 
       1 34 CYS 0.682 0.279 13 0 "[    .    1    .    2  ]" 
       1 35 ASP 0.682 0.279 13 0 "[    .    1    .    2  ]" 
       1 36 CYS 0.076 0.062  1 0 "[    .    1    .    2  ]" 
       1 37 PRO 0.000 0.000  . 0 "[    .    1    .    2  ]" 
       1 38 LEU 4.111 0.449 11 0 "[    .    1    .    2  ]" 
       1 39 TYR 0.352 0.203  6 0 "[    .    1    .    2  ]" 
       1 40 PRO 0.000 0.000  . 0 "[    .    1    .    2  ]" 
    stop_

    loop_
       _Distance_constraint_stats.Restraint_ID
       _Distance_constraint_stats.Atom_1_entity_assembly_ID
       _Distance_constraint_stats.Atom_1_comp_index_ID
       _Distance_constraint_stats.Atom_1_comp_ID
       _Distance_constraint_stats.Atom_1_ID
       _Distance_constraint_stats.Atom_2_entity_assembly_ID
       _Distance_constraint_stats.Atom_2_comp_index_ID
       _Distance_constraint_stats.Atom_2_comp_ID
       _Distance_constraint_stats.Atom_2_ID
       _Distance_constraint_stats.Node_1_distance_val
       _Distance_constraint_stats.Node_1_distance_lower_bound_val
       _Distance_constraint_stats.Node_1_distance_upper_bound_val
       _Distance_constraint_stats.Distance_average
       _Distance_constraint_stats.Distance_minimum
       _Distance_constraint_stats.Distance_maximum
       _Distance_constraint_stats.Max_violation
       _Distance_constraint_stats.Max_violation_model_number
       _Distance_constraint_stats.Over_cutoff_violation_count
       _Distance_constraint_stats.Over_cutoff_viol_per_model
       _Distance_constraint_stats.Distance_constraint_stats_ID

         1 1  1 CYS CB 1 10 CYS SG . . 4.000 2.960 1.977 3.383     .  0 0 "[    .    1    .    2  ]" 1 
         2 1  1 CYS HA 1  2 THR H  . . 4.000 2.762 2.136 3.631     .  0 0 "[    .    1    .    2  ]" 1 
         3 1  1 CYS QB 1  3 THR H  . . 5.000 3.753 2.402 4.852     .  0 0 "[    .    1    .    2  ]" 1 
         4 1  1 CYS QB 1  4 GLY H  . . 8.000 5.667 4.769 7.096     .  0 0 "[    .    1    .    2  ]" 1 
         5 1  1 CYS QB 1  6 CYS HA . . 6.000 4.834 3.881 5.657     .  0 0 "[    .    1    .    2  ]" 1 
         6 1  1 CYS QB 1  6 CYS QB . . 7.000 3.779 1.828 5.422     .  0 0 "[    .    1    .    2  ]" 1 
         7 1  1 CYS SG 1 10 CYS CB . . 4.000 2.948 1.997 3.615     .  0 0 "[    .    1    .    2  ]" 1 
         8 1  1 CYS SG 1 10 CYS SG . . 3.000 1.858 0.983 2.406     .  0 0 "[    .    1    .    2  ]" 1 
         9 1  2 THR H  1  2 THR HB . . 4.000 3.190 1.646 3.980     .  0 0 "[    .    1    .    2  ]" 1 
        10 1  2 THR H  1  9 GLN QB . . 8.000 5.858 4.699 7.119     .  0 0 "[    .    1    .    2  ]" 1 
        11 1  2 THR HA 1  3 THR H  . . 4.000 3.198 2.412 3.629     .  0 0 "[    .    1    .    2  ]" 1 
        12 1  2 THR HA 1 38 LEU H  . . 5.000 4.926 3.657 5.062 0.062 19 0 "[    .    1    .    2  ]" 1 
        13 1  2 THR HB 1  3 THR H  . . 5.000 3.932 2.094 4.703     .  0 0 "[    .    1    .    2  ]" 1 
        14 1  2 THR MG 1  3 THR H  . . 8.000 3.401 2.174 4.278     .  0 0 "[    .    1    .    2  ]" 1 
        15 1  2 THR MG 1 10 CYS H  . . 8.000 5.715 3.622 6.581     .  0 0 "[    .    1    .    2  ]" 1 
        16 1  3 THR H  1  6 CYS H  . . 5.000 4.616 4.102 5.032 0.032 10 0 "[    .    1    .    2  ]" 1 
        17 1  3 THR HA 1  3 THR HB . . 3.000 3.024 2.458 3.066 0.066 10 0 "[    .    1    .    2  ]" 1 
        18 1  3 THR HA 1  4 GLY H  . . 4.000 3.508 3.229 3.630     .  0 0 "[    .    1    .    2  ]" 1 
        19 1  3 THR HB 1  4 GLY H  . . 5.000 2.025 1.732 2.527     .  0 0 "[    .    1    .    2  ]" 1 
        20 1  3 THR HB 1  9 GLN QG . . 6.000 4.280 2.371 5.321     .  0 0 "[    .    1    .    2  ]" 1 
        21 1  3 THR MG 1  4 GLY H  . . 8.000 2.445 1.858 3.483     .  0 0 "[    .    1    .    2  ]" 1 
        22 1  4 GLY H  1  5 PRO QD . . 7.000 3.096 2.495 3.791     .  0 0 "[    .    1    .    2  ]" 1 
        23 1  4 GLY H  1  6 CYS H  . . 6.000 2.757 2.329 4.049     .  0 0 "[    .    1    .    2  ]" 1 
        24 1  4 GLY H  1  7 CYS QB . . 8.000 7.108 7.025 7.187     .  0 0 "[    .    1    .    2  ]" 1 
        25 1  4 GLY H  1  9 GLN QB . . 7.000 2.777 2.191 3.575     .  0 0 "[    .    1    .    2  ]" 1 
        26 1  4 GLY QA 1  5 PRO QB . . 6.000 4.356 4.242 4.406     .  0 0 "[    .    1    .    2  ]" 1 
        27 1  4 GLY QA 1  9 GLN QB . . 5.000 3.769 2.679 4.365     .  0 0 "[    .    1    .    2  ]" 1 
        28 1  5 PRO QB 1  6 CYS H  . . 5.000 3.814 3.427 4.073     .  0 0 "[    .    1    .    2  ]" 1 
        29 1  5 PRO QB 1  7 CYS QB . . 6.000 3.095 2.419 4.556     .  0 0 "[    .    1    .    2  ]" 1 
        30 1  5 PRO QB 1  8 ARG QB . . 7.000 5.258 4.273 5.979     .  0 0 "[    .    1    .    2  ]" 1 
        31 1  5 PRO QB 1 35 ASP H  . . 6.000 5.234 4.463 5.664     .  0 0 "[    .    1    .    2  ]" 1 
        32 1  5 PRO QD 1  8 ARG QG . . 7.000 5.485 4.768 5.953     .  0 0 "[    .    1    .    2  ]" 1 
        33 1  5 PRO QG 1  9 GLN H  . . 7.000 4.907 3.900 6.030     .  0 0 "[    .    1    .    2  ]" 1 
        34 1  5 PRO QG 1  9 GLN QB . . 8.000 4.001 2.907 5.458     .  0 0 "[    .    1    .    2  ]" 1 
        35 1  5 PRO QG 1 32 LYS H  . . 7.000 6.192 5.805 6.745     .  0 0 "[    .    1    .    2  ]" 1 
        36 1  6 CYS CB 1 29 CYS SG . . 4.000 3.480 3.235 3.682     .  0 0 "[    .    1    .    2  ]" 1 
        37 1  6 CYS H  1  7 CYS H  . . 4.000 3.713 3.480 4.613 0.613 11 1 "[    .    1+   .    2  ]" 1 
        38 1  6 CYS H  1 10 CYS QB . . 6.000 2.764 1.742 5.485     .  0 0 "[    .    1    .    2  ]" 1 
        39 1  6 CYS HA 1 10 CYS QB . . 5.000 1.902 1.242 3.881     .  0 0 "[    .    1    .    2  ]" 1 
        40 1  6 CYS HA 1 11 LYS QG . . 5.000 4.459 3.791 4.907     .  0 0 "[    .    1    .    2  ]" 1 
        41 1  6 CYS QB 1  9 GLN H  . . 5.000 4.583 4.005 5.183 0.183 16 0 "[    .    1    .    2  ]" 1 
        42 1  6 CYS QB 1 10 CYS HA . . 4.000 4.192 3.743 4.520 0.520 12 1 "[    .    1 +  .    2  ]" 1 
        43 1  6 CYS QB 1 10 CYS QB . . 5.000 2.347 1.552 3.931     .  0 0 "[    .    1    .    2  ]" 1 
        44 1  6 CYS QB 1 13 LYS QD . . 8.000 4.191 3.744 4.720     .  0 0 "[    .    1    .    2  ]" 1 
        45 1  6 CYS QB 1 38 LEU QB . . 8.000 3.799 2.596 4.233     .  0 0 "[    .    1    .    2  ]" 1 
        46 1  6 CYS QB 1 38 LEU QD . . 9.000 1.630 1.513 1.818     .  0 0 "[    .    1    .    2  ]" 1 
        47 1  6 CYS SG 1 29 CYS CB . . 4.000 3.042 2.748 3.457     .  0 0 "[    .    1    .    2  ]" 1 
        48 1  6 CYS SG 1 29 CYS SG . . 3.000 1.956 1.488 2.406     .  0 0 "[    .    1    .    2  ]" 1 
        49 1  7 CYS CB 1 34 CYS SG . . 4.000 3.173 2.716 3.434     .  0 0 "[    .    1    .    2  ]" 1 
        50 1  7 CYS H  1  8 ARG H  . . 5.000 3.615 1.801 4.539     .  0 0 "[    .    1    .    2  ]" 1 
        51 1  7 CYS H  1 10 CYS QB . . 8.000 4.524 3.219 6.863     .  0 0 "[    .    1    .    2  ]" 1 
        52 1  7 CYS H  1 13 LYS QD . . 7.000 6.492 5.307 7.104 0.104 21 0 "[    .    1    .    2  ]" 1 
        53 1  7 CYS HA 1 11 LYS H  . . 5.000 4.222 3.506 5.010 0.010  1 0 "[    .    1    .    2  ]" 1 
        54 1  7 CYS HA 1 11 LYS QG . . 6.000 1.879 1.388 4.060     .  0 0 "[    .    1    .    2  ]" 1 
        55 1  7 CYS QB 1  8 ARG H  . . 4.000 3.852 3.471 4.036 0.036  5 0 "[    .    1    .    2  ]" 1 
        56 1  7 CYS QB 1 11 LYS H  . . 8.000 5.544 4.939 6.726     .  0 0 "[    .    1    .    2  ]" 1 
        57 1  7 CYS SG 1 34 CYS CB . . 4.000 2.728 2.469 3.094     .  0 0 "[    .    1    .    2  ]" 1 
        58 1  7 CYS SG 1 34 CYS SG . . 3.000 1.929 1.619 2.309     .  0 0 "[    .    1    .    2  ]" 1 
        59 1  8 ARG H  1  8 ARG QG . . 5.000 3.962 2.666 4.532     .  0 0 "[    .    1    .    2  ]" 1 
        60 1  8 ARG H  1  9 GLN H  . . 5.000 2.313 1.461 3.260     .  0 0 "[    .    1    .    2  ]" 1 
        61 1  8 ARG H  1 10 CYS H  . . 5.000 4.450 3.043 5.542 0.542  9 1 "[    .   +1    .    2  ]" 1 
        62 1  8 ARG H  1 11 LYS H  . . 5.000 3.307 2.716 4.551     .  0 0 "[    .    1    .    2  ]" 1 
        63 1  8 ARG H  1 11 LYS QB . . 5.000 3.291 2.221 4.435     .  0 0 "[    .    1    .    2  ]" 1 
        64 1  8 ARG H  1 11 LYS QD . . 5.000 3.472 1.521 4.341     .  0 0 "[    .    1    .    2  ]" 1 
        65 1  8 ARG H  1 11 LYS QG . . 6.000 2.342 1.545 4.854     .  0 0 "[    .    1    .    2  ]" 1 
        66 1  8 ARG H  1 12 LEU HA . . 5.000 5.012 4.946 5.041 0.041 16 0 "[    .    1    .    2  ]" 1 
        67 1  8 ARG H  1 13 LYS QE . . 8.000 6.408 5.089 7.188     .  0 0 "[    .    1    .    2  ]" 1 
        68 1  8 ARG QB 1  9 GLN QG . . 5.000 3.546 2.605 4.053     .  0 0 "[    .    1    .    2  ]" 1 
        69 1  8 ARG QB 1 32 LYS H  . . 7.000 3.585 2.690 4.958     .  0 0 "[    .    1    .    2  ]" 1 
        70 1  8 ARG QG 1  9 GLN H  . . 6.000 3.915 1.997 4.460     .  0 0 "[    .    1    .    2  ]" 1 
        71 1  9 GLN H  1 10 CYS H  . . 3.000 2.834 1.829 3.287 0.287 21 0 "[    .    1    .    2  ]" 1 
        72 1  9 GLN H  1 32 LYS H  . . 5.000 4.954 4.473 5.059 0.059 17 0 "[    .    1    .    2  ]" 1 
        73 1  9 GLN H  1 38 LEU QD . . 8.000 4.931 4.383 5.577     .  0 0 "[    .    1    .    2  ]" 1 
        74 1  9 GLN QB 1 10 CYS H  . . 5.000 2.606 1.805 4.001     .  0 0 "[    .    1    .    2  ]" 1 
        75 1  9 GLN QB 1 32 LYS H  . . 8.000 6.694 6.011 6.987     .  0 0 "[    .    1    .    2  ]" 1 
        76 1 10 CYS H  1 38 LEU QD . . 7.000 4.306 3.714 4.744     .  0 0 "[    .    1    .    2  ]" 1 
        77 1 10 CYS H  1 38 LEU HG . . 8.000 6.949 4.188 8.025 0.025 21 0 "[    .    1    .    2  ]" 1 
        78 1 10 CYS QB 1 13 LYS QD . . 8.000 5.191 3.506 6.049     .  0 0 "[    .    1    .    2  ]" 1 
        79 1 10 CYS QB 1 38 LEU QD . . 9.000 2.959 1.764 3.835     .  0 0 "[    .    1    .    2  ]" 1 
        80 1 11 LYS H  1 13 LYS H  . . 5.000 4.742 3.983 5.040 0.040  9 0 "[    .    1    .    2  ]" 1 
        81 1 11 LYS H  1 13 LYS QG . . 7.000 5.753 4.581 6.750     .  0 0 "[    .    1    .    2  ]" 1 
        82 1 11 LYS HA 1 12 LEU H  . . 3.000 2.911 2.261 3.335 0.335 20 0 "[    .    1    .    2  ]" 1 
        83 1 11 LYS HA 1 12 LEU HA . . 5.000 4.755 4.391 5.013 0.013 16 0 "[    .    1    .    2  ]" 1 
        84 1 11 LYS HA 1 38 LEU QD . . 6.000 1.663 1.287 1.972     .  0 0 "[    .    1    .    2  ]" 1 
        85 1 11 LYS QB 1 12 LEU H  . . 8.000 4.054 3.928 4.123     .  0 0 "[    .    1    .    2  ]" 1 
        86 1 11 LYS QB 1 27 HIS QB . . 8.000 6.180 5.540 6.839     .  0 0 "[    .    1    .    2  ]" 1 
        87 1 11 LYS QB 1 29 CYS QB . . 5.000 2.361 1.699 3.830     .  0 0 "[    .    1    .    2  ]" 1 
        88 1 11 LYS QB 1 38 LEU QB . . 5.000 4.119 3.746 4.703     .  0 0 "[    .    1    .    2  ]" 1 
        89 1 11 LYS QD 1 29 CYS QB . . 8.000 3.408 2.056 5.461     .  0 0 "[    .    1    .    2  ]" 1 
        90 1 11 LYS QD 1 31 GLY H  . . 6.000 3.160 2.132 5.196     .  0 0 "[    .    1    .    2  ]" 1 
        91 1 11 LYS QG 1 30 THR H  . . 8.000 3.789 2.084 5.313     .  0 0 "[    .    1    .    2  ]" 1 
        92 1 11 LYS QG 1 31 GLY H  . . 8.000 3.433 1.929 4.063     .  0 0 "[    .    1    .    2  ]" 1 
        93 1 12 LEU H  1 12 LEU HA . . 3.000 2.738 2.576 2.936     .  0 0 "[    .    1    .    2  ]" 1 
        94 1 12 LEU H  1 12 LEU HG . . 3.000 2.622 1.965 3.134 0.134 21 0 "[    .    1    .    2  ]" 1 
        95 1 12 LEU H  1 13 LYS QE . . 5.000 3.112 1.776 4.544     .  0 0 "[    .    1    .    2  ]" 1 
        96 1 12 LEU H  1 38 LEU QD . . 5.000 3.652 3.229 4.118     .  0 0 "[    .    1    .    2  ]" 1 
        97 1 12 LEU QB 1 13 LYS H  . . 5.000 3.749 3.486 4.017     .  0 0 "[    .    1    .    2  ]" 1 
        98 1 12 LEU HG 1 14 PRO QD . . 7.000 5.482 4.952 6.134     .  0 0 "[    .    1    .    2  ]" 1 
        99 1 13 LYS H  1 13 LYS QD . . 4.000 2.092 1.605 3.232     .  0 0 "[    .    1    .    2  ]" 1 
       100 1 13 LYS H  1 13 LYS QG . . 5.000 2.352 1.127 3.534     .  0 0 "[    .    1    .    2  ]" 1 
       101 1 13 LYS H  1 38 LEU QD . . 7.000 3.492 2.675 3.834     .  0 0 "[    .    1    .    2  ]" 1 
       102 1 13 LYS H  1 38 LEU HG . . 8.000 6.368 5.082 6.626     .  0 0 "[    .    1    .    2  ]" 1 
       103 1 13 LYS HA 1 13 LYS QD . . 5.000 4.021 3.615 4.531     .  0 0 "[    .    1    .    2  ]" 1 
       104 1 13 LYS HA 1 13 LYS QG . . 4.000 2.933 2.236 3.407     .  0 0 "[    .    1    .    2  ]" 1 
       105 1 13 LYS HA 1 14 PRO QD . . 4.000 2.093 1.878 2.402     .  0 0 "[    .    1    .    2  ]" 1 
       106 1 13 LYS HA 1 14 PRO QG . . 5.000 4.056 3.861 4.323     .  0 0 "[    .    1    .    2  ]" 1 
       107 1 13 LYS QB 1 14 PRO QD . . 7.000 1.838 1.555 2.453     .  0 0 "[    .    1    .    2  ]" 1 
       108 1 13 LYS QB 1 15 ALA H  . . 8.000 3.800 2.337 6.371     .  0 0 "[    .    1    .    2  ]" 1 
       109 1 13 LYS QB 1 22 THR H  . . 8.000 7.054 6.539 7.187     .  0 0 "[    .    1    .    2  ]" 1 
       110 1 13 LYS QB 1 25 THR MG . . 5.000 2.596 1.830 3.715     .  0 0 "[    .    1    .    2  ]" 1 
       111 1 13 LYS QD 1 16 GLY H  . . 7.000 5.364 4.125 6.090     .  0 0 "[    .    1    .    2  ]" 1 
       112 1 13 LYS QD 1 22 THR H  . . 8.000 6.830 6.245 7.050     .  0 0 "[    .    1    .    2  ]" 1 
       113 1 13 LYS QD 1 34 CYS QB . . 8.000 6.664 6.385 6.862     .  0 0 "[    .    1    .    2  ]" 1 
       114 1 13 LYS QD 1 38 LEU H  . . 5.000 4.789 4.419 5.128 0.128  9 0 "[    .    1    .    2  ]" 1 
       115 1 13 LYS QE 1 26 SER H  . . 8.000 6.363 5.201 7.164     .  0 0 "[    .    1    .    2  ]" 1 
       116 1 13 LYS QG 1 14 PRO QD . . 8.000 3.241 2.061 4.041     .  0 0 "[    .    1    .    2  ]" 1 
       117 1 14 PRO HA 1 15 ALA H  . . 3.000 2.672 2.154 3.162 0.162 15 0 "[    .    1    .    2  ]" 1 
       118 1 14 PRO QB 1 15 ALA H  . . 5.000 3.783 2.032 4.073     .  0 0 "[    .    1    .    2  ]" 1 
       119 1 14 PRO QD 1 25 THR MG . . 8.000 3.402 2.166 4.561     .  0 0 "[    .    1    .    2  ]" 1 
       120 1 15 ALA H  1 15 ALA HA . . 3.000 2.326 2.205 2.880     .  0 0 "[    .    1    .    2  ]" 1 
       121 1 15 ALA H  1 31 GLY QA . . 8.000 5.307 4.360 6.441     .  0 0 "[    .    1    .    2  ]" 1 
       122 1 15 ALA HA 1 16 GLY H  . . 3.000 2.279 2.106 2.974     .  0 0 "[    .    1    .    2  ]" 1 
       123 1 15 ALA HA 1 17 THR H  . . 8.000 5.194 4.294 6.289     .  0 0 "[    .    1    .    2  ]" 1 
       124 1 15 ALA HA 1 32 LYS H  . . 8.000 7.602 6.676 8.007 0.007 17 0 "[    .    1    .    2  ]" 1 
       125 1 15 ALA MB 1 16 GLY H  . . 4.000 3.103 1.878 3.609     .  0 0 "[    .    1    .    2  ]" 1 
       126 1 15 ALA MB 1 16 GLY QA . . 7.000 3.863 3.392 4.213     .  0 0 "[    .    1    .    2  ]" 1 
       127 1 16 GLY H  1 17 THR H  . . 5.000 3.089 1.925 4.311     .  0 0 "[    .    1    .    2  ]" 1 
       128 1 16 GLY H  1 28 TYR QB . . 8.000 7.147 7.073 7.177     .  0 0 "[    .    1    .    2  ]" 1 
       129 1 16 GLY H  1 29 CYS H  . . 5.000 4.232 3.767 4.686     .  0 0 "[    .    1    .    2  ]" 1 
       130 1 16 GLY QA 1 25 THR MG . . 8.000 5.343 3.527 5.796     .  0 0 "[    .    1    .    2  ]" 1 
       131 1 16 GLY QA 1 29 CYS H  . . 8.000 4.300 2.940 5.781     .  0 0 "[    .    1    .    2  ]" 1 
       132 1 17 THR H  1 29 CYS H  . . 5.000 3.318 2.176 5.017 0.017 16 0 "[    .    1    .    2  ]" 1 
       133 1 17 THR H  1 29 CYS QB . . 8.000 5.477 4.481 6.908     .  0 0 "[    .    1    .    2  ]" 1 
       134 1 17 THR HA 1 18 THR H  . . 3.000 2.736 2.170 3.434 0.434 19 0 "[    .    1    .    2  ]" 1 
       135 1 17 THR HA 1 29 CYS H  . . 5.000 4.719 4.266 5.008 0.008 14 0 "[    .    1    .    2  ]" 1 
       136 1 17 THR HB 1 18 THR H  . . 5.000 3.047 1.986 4.416     .  0 0 "[    .    1    .    2  ]" 1 
       137 1 17 THR HB 1 29 CYS H  . . 5.000 4.670 3.899 5.015 0.015 11 0 "[    .    1    .    2  ]" 1 
       138 1 17 THR MG 1 18 THR H  . . 4.000 2.002 1.727 2.746     .  0 0 "[    .    1    .    2  ]" 1 
       139 1 17 THR MG 1 18 THR HB . . 5.000 3.344 2.515 4.010     .  0 0 "[    .    1    .    2  ]" 1 
       140 1 17 THR MG 1 20 TRP QB . . 8.000 2.637 1.771 3.918     .  0 0 "[    .    1    .    2  ]" 1 
       141 1 17 THR MG 1 28 TYR HA . . 7.000 5.104 4.241 5.902     .  0 0 "[    .    1    .    2  ]" 1 
       142 1 18 THR H  1 18 THR HA . . 3.000 2.883 2.659 2.949     .  0 0 "[    .    1    .    2  ]" 1 
       143 1 18 THR H  1 18 THR HB . . 3.000 2.386 1.965 2.918     .  0 0 "[    .    1    .    2  ]" 1 
       144 1 18 THR H  1 20 TRP H  . . 5.000 4.744 3.325 5.013 0.013 15 0 "[    .    1    .    2  ]" 1 
       145 1 18 THR HA 1 19 CYS H  . . 3.000 2.423 2.060 3.495 0.495 15 0 "[    .    1    .    2  ]" 1 
       146 1 18 THR HA 1 20 TRP H  . . 5.000 4.502 3.901 5.231 0.231 13 0 "[    .    1    .    2  ]" 1 
       147 1 18 THR HA 1 28 TYR QD . . 8.000 5.501 4.674 6.012     .  0 0 "[    .    1    .    2  ]" 1 
       148 1 18 THR HA 1 28 TYR QE . . 8.000 6.824 6.120 7.357     .  0 0 "[    .    1    .    2  ]" 1 
       149 1 18 THR HA 1 29 CYS H  . . 5.000 3.222 2.478 4.480     .  0 0 "[    .    1    .    2  ]" 1 
       150 1 18 THR HB 1 19 CYS H  . . 5.000 4.450 3.952 4.699     .  0 0 "[    .    1    .    2  ]" 1 
       151 1 18 THR MG 1 19 CYS H  . . 4.000 2.960 2.174 3.461     .  0 0 "[    .    1    .    2  ]" 1 
       152 1 18 THR MG 1 28 TYR HA . . 6.000 4.737 3.917 5.056     .  0 0 "[    .    1    .    2  ]" 1 
       153 1 18 THR MG 1 28 TYR QD . . 8.000 5.398 4.778 5.795     .  0 0 "[    .    1    .    2  ]" 1 
       154 1 18 THR MG 1 28 TYR QE . . 8.000 5.857 5.419 6.018     .  0 0 "[    .    1    .    2  ]" 1 
       155 1 18 THR MG 1 36 CYS QB . . 8.000 3.927 2.458 5.731     .  0 0 "[    .    1    .    2  ]" 1 
       156 1 19 CYS CB 1 36 CYS SG . . 4.000 3.227 2.849 3.587     .  0 0 "[    .    1    .    2  ]" 1 
       157 1 19 CYS H  1 19 CYS HA . . 3.000 2.347 2.199 2.841     .  0 0 "[    .    1    .    2  ]" 1 
       158 1 19 CYS H  1 20 TRP H  . . 5.000 3.059 1.843 3.522     .  0 0 "[    .    1    .    2  ]" 1 
       159 1 19 CYS H  1 27 HIS QB . . 7.000 5.549 4.549 6.431     .  0 0 "[    .    1    .    2  ]" 1 
       160 1 19 CYS H  1 28 TYR HA . . 5.000 2.329 1.907 3.229     .  0 0 "[    .    1    .    2  ]" 1 
       161 1 19 CYS H  1 29 CYS H  . . 4.000 3.625 2.316 4.122 0.122 10 0 "[    .    1    .    2  ]" 1 
       162 1 19 CYS H  1 36 CYS QB . . 6.000 3.048 1.913 4.897     .  0 0 "[    .    1    .    2  ]" 1 
       163 1 19 CYS HA 1 21 LYS H  . . 5.000 4.667 4.104 5.009 0.009 18 0 "[    .    1    .    2  ]" 1 
       164 1 19 CYS HA 1 36 CYS QB . . 4.000 2.865 2.548 3.172     .  0 0 "[    .    1    .    2  ]" 1 
       165 1 19 CYS HA 1 37 PRO QD . . 5.000 4.378 4.104 4.650     .  0 0 "[    .    1    .    2  ]" 1 
       166 1 19 CYS QB 1 20 TRP H  . . 5.000 3.956 3.840 4.005     .  0 0 "[    .    1    .    2  ]" 1 
       167 1 19 CYS QB 1 29 CYS H  . . 8.000 6.079 4.992 6.822     .  0 0 "[    .    1    .    2  ]" 1 
       168 1 19 CYS SG 1 36 CYS CB . . 4.000 3.149 2.951 3.262     .  0 0 "[    .    1    .    2  ]" 1 
       169 1 19 CYS SG 1 36 CYS SG . . 3.000 1.884 1.625 2.169     .  0 0 "[    .    1    .    2  ]" 1 
       170 1 20 TRP H  1 21 LYS H  . . 5.000 2.471 1.922 3.977     .  0 0 "[    .    1    .    2  ]" 1 
       171 1 20 TRP H  1 27 HIS H  . . 5.000 4.864 4.216 5.021 0.021 15 0 "[    .    1    .    2  ]" 1 
       172 1 20 TRP H  1 27 HIS QB . . 5.000 4.046 3.350 4.930     .  0 0 "[    .    1    .    2  ]" 1 
       173 1 20 TRP H  1 28 TYR HA . . 5.000 1.841 1.600 2.222     .  0 0 "[    .    1    .    2  ]" 1 
       174 1 20 TRP H  1 28 TYR QB . . 6.000 3.669 3.364 3.992     .  0 0 "[    .    1    .    2  ]" 1 
       175 1 20 TRP H  1 36 CYS QB . . 5.000 4.614 4.139 4.854     .  0 0 "[    .    1    .    2  ]" 1 
       176 1 20 TRP QB 1 21 LYS H  . . 5.000 2.327 1.887 4.060     .  0 0 "[    .    1    .    2  ]" 1 
       177 1 20 TRP QB 1 21 LYS QB . . 8.000 4.397 4.192 5.518     .  0 0 "[    .    1    .    2  ]" 1 
       178 1 20 TRP QB 1 27 HIS H  . . 8.000 4.473 3.894 6.684     .  0 0 "[    .    1    .    2  ]" 1 
       179 1 20 TRP QB 1 28 TYR HA . . 4.000 3.725 3.443 4.236 0.236  6 0 "[    .    1    .    2  ]" 1 
       180 1 21 LYS H  1 21 LYS QD . . 5.000 4.421 3.891 4.714     .  0 0 "[    .    1    .    2  ]" 1 
       181 1 21 LYS H  1 22 THR H  . . 5.000 3.831 3.638 4.548     .  0 0 "[    .    1    .    2  ]" 1 
       182 1 21 LYS H  1 22 THR MG . . 5.000 3.812 3.320 4.045     .  0 0 "[    .    1    .    2  ]" 1 
       183 1 21 LYS H  1 28 TYR H  . . 6.000 3.044 1.833 5.008     .  0 0 "[    .    1    .    2  ]" 1 
       184 1 21 LYS HA 1 21 LYS QG . . 4.000 2.907 2.099 3.454     .  0 0 "[    .    1    .    2  ]" 1 
       185 1 21 LYS HA 1 22 THR H  . . 4.000 2.241 2.078 3.426     .  0 0 "[    .    1    .    2  ]" 1 
       186 1 21 LYS HA 1 27 HIS H  . . 5.000 1.979 1.666 4.402     .  0 0 "[    .    1    .    2  ]" 1 
       187 1 21 LYS QB 1 22 THR H  . . 4.000 3.505 1.505 3.874     .  0 0 "[    .    1    .    2  ]" 1 
       188 1 21 LYS QB 1 26 SER H  . . 6.000 4.863 3.140 5.733     .  0 0 "[    .    1    .    2  ]" 1 
       189 1 21 LYS QB 1 39 TYR H  . . 7.000 5.137 4.048 6.605     .  0 0 "[    .    1    .    2  ]" 1 
       190 1 21 LYS QD 1 28 TYR QB . . 8.000 5.295 3.698 6.447     .  0 0 "[    .    1    .    2  ]" 1 
       191 1 21 LYS QG 1 22 THR H  . . 5.000 3.395 2.483 4.405     .  0 0 "[    .    1    .    2  ]" 1 
       192 1 21 LYS QG 1 26 SER H  . . 7.000 5.065 3.773 6.260     .  0 0 "[    .    1    .    2  ]" 1 
       193 1 22 THR H  1 22 THR MG . . 4.000 2.277 1.867 3.259     .  0 0 "[    .    1    .    2  ]" 1 
       194 1 22 THR H  1 23 SER H  . . 5.000 3.724 2.388 4.625     .  0 0 "[    .    1    .    2  ]" 1 
       195 1 22 THR H  1 24 LEU H  . . 5.000 3.997 3.190 4.503     .  0 0 "[    .    1    .    2  ]" 1 
       196 1 22 THR H  1 25 THR HB . . 5.000 4.881 4.259 5.463 0.463 18 0 "[    .    1    .    2  ]" 1 
       197 1 22 THR H  1 26 SER HA . . 5.000 2.137 1.728 3.056     .  0 0 "[    .    1    .    2  ]" 1 
       198 1 22 THR HA 1 23 SER H  . . 4.000 3.063 2.178 3.627     .  0 0 "[    .    1    .    2  ]" 1 
       199 1 22 THR MG 1 23 SER H  . . 5.000 3.502 1.890 4.170     .  0 0 "[    .    1    .    2  ]" 1 
       200 1 22 THR MG 1 25 THR H  . . 5.000 3.981 3.460 4.427     .  0 0 "[    .    1    .    2  ]" 1 
       201 1 22 THR MG 1 26 SER HA . . 6.000 3.654 1.894 5.038     .  0 0 "[    .    1    .    2  ]" 1 
       202 1 23 SER H  1 23 SER HA . . 3.000 2.590 1.937 2.916     .  0 0 "[    .    1    .    2  ]" 1 
       203 1 23 SER H  1 24 LEU H  . . 3.000 2.303 1.743 2.935     .  0 0 "[    .    1    .    2  ]" 1 
       204 1 23 SER H  1 24 LEU HA . . 5.000 4.699 4.148 5.006 0.006  6 0 "[    .    1    .    2  ]" 1 
       205 1 23 SER QB 1 24 LEU H  . . 4.000 3.475 2.650 3.920     .  0 0 "[    .    1    .    2  ]" 1 
       206 1 23 SER QB 1 24 LEU QB . . 8.000 3.813 3.295 4.642     .  0 0 "[    .    1    .    2  ]" 1 
       207 1 23 SER QB 1 25 THR H  . . 8.000 4.878 2.975 5.757     .  0 0 "[    .    1    .    2  ]" 1 
       208 1 24 LEU H  1 24 LEU HG . . 5.000 3.648 1.922 5.018 0.018  9 0 "[    .    1    .    2  ]" 1 
       209 1 24 LEU H  1 25 THR H  . . 4.000 2.267 1.710 2.822     .  0 0 "[    .    1    .    2  ]" 1 
       210 1 24 LEU H  1 27 HIS HA . . 8.000 7.859 7.275 8.009 0.009 10 0 "[    .    1    .    2  ]" 1 
       211 1 24 LEU QB 1 25 THR H  . . 4.000 2.816 1.992 3.631     .  0 0 "[    .    1    .    2  ]" 1 
       212 1 24 LEU QB 1 25 THR HB . . 7.000 4.117 3.483 5.184     .  0 0 "[    .    1    .    2  ]" 1 
       213 1 24 LEU QD 1 25 THR H  . . 8.000 2.902 2.050 4.401     .  0 0 "[    .    1    .    2  ]" 1 
       214 1 24 LEU QD 1 25 THR MG . . 8.000 4.157 3.683 4.707     .  0 0 "[    .    1    .    2  ]" 1 
       215 1 25 THR H  1 25 THR HB . . 4.000 2.367 2.010 3.266     .  0 0 "[    .    1    .    2  ]" 1 
       216 1 25 THR H  1 26 SER H  . . 6.000 3.186 1.941 4.387     .  0 0 "[    .    1    .    2  ]" 1 
       217 1 25 THR H  1 26 SER HA . . 6.000 4.586 3.681 5.199     .  0 0 "[    .    1    .    2  ]" 1 
       218 1 25 THR HA 1 25 THR HB . . 3.000 3.003 2.809 3.064 0.064  3 0 "[    .    1    .    2  ]" 1 
       219 1 25 THR HA 1 26 SER H  . . 4.000 3.114 2.149 3.633     .  0 0 "[    .    1    .    2  ]" 1 
       220 1 25 THR HB 1 26 SER H  . . 5.000 3.244 2.223 4.711     .  0 0 "[    .    1    .    2  ]" 1 
       221 1 25 THR MG 1 26 SER H  . . 5.000 2.567 1.806 3.466     .  0 0 "[    .    1    .    2  ]" 1 
       222 1 25 THR MG 1 26 SER QB . . 8.000 3.540 2.606 4.349     .  0 0 "[    .    1    .    2  ]" 1 
       223 1 25 THR MG 1 38 LEU H  . . 8.000 6.407 4.964 6.687     .  0 0 "[    .    1    .    2  ]" 1 
       224 1 26 SER H  1 26 SER HA . . 3.000 2.462 2.169 2.865     .  0 0 "[    .    1    .    2  ]" 1 
       225 1 26 SER H  1 27 HIS H  . . 6.000 3.473 2.559 4.358     .  0 0 "[    .    1    .    2  ]" 1 
       226 1 26 SER HA 1 27 HIS H  . . 4.000 2.327 2.215 2.481     .  0 0 "[    .    1    .    2  ]" 1 
       227 1 26 SER QB 1 28 TYR QD . . 8.000 4.301 3.512 5.260     .  0 0 "[    .    1    .    2  ]" 1 
       228 1 26 SER QB 1 28 TYR QE . . 8.000 5.636 4.964 6.519     .  0 0 "[    .    1    .    2  ]" 1 
       229 1 26 SER QB 1 38 LEU HA . . 4.000 2.369 1.758 3.315     .  0 0 "[    .    1    .    2  ]" 1 
       230 1 27 HIS H  1 38 LEU HA . . 5.000 4.765 3.973 5.023 0.023 14 0 "[    .    1    .    2  ]" 1 
       231 1 27 HIS QB 1 28 TYR H  . . 4.000 2.970 1.805 4.026 0.026 11 0 "[    .    1    .    2  ]" 1 
       232 1 27 HIS QB 1 38 LEU QB . . 7.000 4.795 3.670 5.587     .  0 0 "[    .    1    .    2  ]" 1 
       233 1 28 TYR H  1 28 TYR HA . . 3.000 2.567 2.216 2.944     .  0 0 "[    .    1    .    2  ]" 1 
       234 1 28 TYR H  1 38 LEU QB . . 6.000 3.913 2.319 5.345     .  0 0 "[    .    1    .    2  ]" 1 
       235 1 28 TYR HA 1 28 TYR QE . . 5.000 4.454 4.110 4.579     .  0 0 "[    .    1    .    2  ]" 1 
       236 1 28 TYR QB 1 29 CYS H  . . 4.000 3.815 3.451 3.970     .  0 0 "[    .    1    .    2  ]" 1 
       237 1 28 TYR QB 1 39 TYR H  . . 7.000 4.167 3.386 5.306     .  0 0 "[    .    1    .    2  ]" 1 
       238 1 29 CYS H  1 36 CYS QB . . 6.000 4.287 3.598 4.646     .  0 0 "[    .    1    .    2  ]" 1 
       239 1 29 CYS HA 1 30 THR H  . . 3.000 2.826 2.540 3.352 0.352  1 0 "[    .    1    .    2  ]" 1 
       240 1 29 CYS HA 1 31 GLY H  . . 5.000 4.554 4.235 5.102 0.102 10 0 "[    .    1    .    2  ]" 1 
       241 1 29 CYS HA 1 34 CYS QB . . 4.000 2.376 1.719 3.056     .  0 0 "[    .    1    .    2  ]" 1 
       242 1 29 CYS QB 1 30 THR H  . . 5.000 2.261 1.585 3.219     .  0 0 "[    .    1    .    2  ]" 1 
       243 1 29 CYS QB 1 35 ASP H  . . 5.000 4.030 2.319 4.754     .  0 0 "[    .    1    .    2  ]" 1 
       244 1 29 CYS QB 1 36 CYS H  . . 4.000 3.568 3.022 4.062 0.062  1 0 "[    .    1    .    2  ]" 1 
       245 1 29 CYS QB 1 38 LEU QB . . 7.000 4.129 2.860 5.665     .  0 0 "[    .    1    .    2  ]" 1 
       246 1 30 THR H  1 30 THR HA . . 3.000 2.885 2.640 2.947     .  0 0 "[    .    1    .    2  ]" 1 
       247 1 30 THR H  1 31 GLY H  . . 5.000 1.948 1.576 2.590     .  0 0 "[    .    1    .    2  ]" 1 
       248 1 30 THR H  1 32 LYS H  . . 5.000 5.010 4.973 5.024 0.024  6 0 "[    .    1    .    2  ]" 1 
       249 1 30 THR H  1 34 CYS QB . . 5.000 2.698 1.770 3.706     .  0 0 "[    .    1    .    2  ]" 1 
       250 1 30 THR HA 1 38 LEU QD . . 6.000 4.531 4.211 4.908     .  0 0 "[    .    1    .    2  ]" 1 
       251 1 31 GLY H  1 32 LYS H  . . 5.000 3.525 3.333 3.932     .  0 0 "[    .    1    .    2  ]" 1 
       252 1 31 GLY H  1 34 CYS QB . . 4.000 3.207 2.231 3.889     .  0 0 "[    .    1    .    2  ]" 1 
       253 1 31 GLY QA 1 32 LYS QD . . 6.000 4.243 2.159 5.325     .  0 0 "[    .    1    .    2  ]" 1 
       254 1 31 GLY QA 1 34 CYS H  . . 6.000 5.441 4.618 5.697     .  0 0 "[    .    1    .    2  ]" 1 
       255 1 32 LYS H  1 32 LYS QD . . 5.000 3.749 2.212 4.604     .  0 0 "[    .    1    .    2  ]" 1 
       256 1 32 LYS H  1 38 LEU QD . . 8.000 5.820 4.916 5.951     .  0 0 "[    .    1    .    2  ]" 1 
       257 1 32 LYS HA 1 32 LYS QD . . 4.000 2.835 1.747 3.818     .  0 0 "[    .    1    .    2  ]" 1 
       258 1 32 LYS QD 1 34 CYS QB . . 8.000 6.164 5.449 6.519     .  0 0 "[    .    1    .    2  ]" 1 
       259 1 34 CYS H  1 35 ASP H  . . 6.000 4.297 4.062 4.621     .  0 0 "[    .    1    .    2  ]" 1 
       260 1 34 CYS HA 1 35 ASP H  . . 3.000 2.877 2.500 3.279 0.279 13 0 "[    .    1    .    2  ]" 1 
       261 1 34 CYS QB 1 35 ASP H  . . 4.000 2.042 1.679 2.606     .  0 0 "[    .    1    .    2  ]" 1 
       262 1 35 ASP H  1 35 ASP HA . . 3.000 2.703 2.411 2.877     .  0 0 "[    .    1    .    2  ]" 1 
       263 1 37 PRO HA 1 38 LEU H  . . 3.000 2.207 2.150 2.326     .  0 0 "[    .    1    .    2  ]" 1 
       264 1 37 PRO HA 1 38 LEU HG . . 5.000 3.694 2.902 4.304     .  0 0 "[    .    1    .    2  ]" 1 
       265 1 37 PRO QB 1 38 LEU H  . . 5.000 3.193 2.847 3.541     .  0 0 "[    .    1    .    2  ]" 1 
       266 1 37 PRO QG 1 38 LEU H  . . 6.000 4.761 4.540 4.939     .  0 0 "[    .    1    .    2  ]" 1 
       267 1 38 LEU H  1 38 LEU HG . . 3.000 2.700 1.445 3.449 0.449 11 0 "[    .    1    .    2  ]" 1 
       268 1 38 LEU HA 1 39 TYR H  . . 3.000 2.594 2.184 2.893     .  0 0 "[    .    1    .    2  ]" 1 
       269 1 38 LEU QB 1 39 TYR H  . . 5.000 3.944 3.528 4.011     .  0 0 "[    .    1    .    2  ]" 1 
       270 1 38 LEU QD 1 39 TYR H  . . 8.000 4.514 3.861 4.672     .  0 0 "[    .    1    .    2  ]" 1 
       271 1 38 LEU HG 1 39 TYR H  . . 5.000 4.862 4.656 5.203 0.203  6 0 "[    .    1    .    2  ]" 1 
       272 1 39 TYR H  1 40 PRO QD . . 7.000 3.858 2.003 4.315     .  0 0 "[    .    1    .    2  ]" 1 
       273 1 39 TYR HA 1 40 PRO QD . . 4.000 1.963 1.328 3.474     .  0 0 "[    .    1    .    2  ]" 1 
       274 1 39 TYR QB 1 40 PRO QD . . 6.000 3.045 1.718 3.804     .  0 0 "[    .    1    .    2  ]" 1 
    stop_

save_



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