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
394327 1r7c 5978 cing 4-filtered-FRED Wattos check violation distance


data_1r7c


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              300
    _Distance_constraint_stats_list.Viol_count                    12
    _Distance_constraint_stats_list.Viol_total                    3.999
    _Distance_constraint_stats_list.Viol_max                      0.527
    _Distance_constraint_stats_list.Viol_rms                      0.0709
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0133
    _Distance_constraint_stats_list.Viol_average_violations_only  0.3332
    _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 SER 0.000 0.000 . 0 "[ ]" 
       1  2 GLY 0.000 0.000 . 0 "[ ]" 
       1  3 SER 0.000 0.000 . 0 "[ ]" 
       1  4 TRP 0.122 0.122 1 0 "[ ]" 
       1  5 LEU 0.405 0.405 1 0 "[ ]" 
       1  6 ARG 0.000 0.000 . 0 "[ ]" 
       1  7 ASP 0.000 0.000 . 0 "[ ]" 
       1  8 ILE 0.405 0.405 1 0 "[ ]" 
       1  9 TRP 0.000 0.000 . 0 "[ ]" 
       1 10 ASP 0.206 0.206 1 0 "[ ]" 
       1 11 TRP 0.527 0.527 1 1  [+]  
       1 12 ILE 0.000 0.000 . 0 "[ ]" 
       1 13 CYS 0.206 0.206 1 0 "[ ]" 
       1 14 GLU 1.890 0.527 1 1  [+]  
       1 15 VAL 0.912 0.501 1 1  [+]  
       1 16 LEU 0.000 0.000 . 0 "[ ]" 
       1 17 SER 0.000 0.000 . 0 "[ ]" 
       1 18 ASP 0.372 0.372 1 0 "[ ]" 
       1 19 PHE 0.246 0.246 1 0 "[ ]" 
       1 20 LYS 0.000 0.000 . 0 "[ ]" 
       1 21 THR 0.737 0.372 1 0 "[ ]" 
       1 22 TRP 0.000 0.000 . 0 "[ ]" 
       1 23 LEU 0.000 0.000 . 0 "[ ]" 
       1 24 LYS 0.365 0.365 1 0 "[ ]" 
       1 25 ALA 0.000 0.000 . 0 "[ ]" 
       1 26 LYS 0.088 0.088 1 0 "[ ]" 
       1 27 LEU 0.000 0.000 . 0 "[ ]" 
       1 28 MET 0.000 0.000 . 0 "[ ]" 
       1 29 PRO 0.304 0.304 1 0 "[ ]" 
       1 30 GLN 0.304 0.304 1 0 "[ ]" 
       1 31 LEU 0.000 0.000 . 0 "[ ]" 
    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 SER HA  1  2 GLY H    5.000 . 5.500 2.499 2.499 2.499     . 0 0 "[ ]" 1 
         2 1  2 GLY H   1  3 SER H    5.000 . 5.500 4.318 4.318 4.318     . 0 0 "[ ]" 1 
         3 1  3 SER H   1  3 SER HA   2.800 . 3.080 3.002 3.002 3.002     . 0 0 "[ ]" 1 
         4 1  3 SER H   1  3 SER HB2  3.900 . 4.290 2.435 2.435 2.435     . 0 0 "[ ]" 1 
         5 1  3 SER H   1  3 SER HB3  2.800 . 3.080 2.923 2.923 2.923     . 0 0 "[ ]" 1 
         6 1  3 SER HA  1  4 TRP H    2.800 . 3.080 2.568 2.568 2.568     . 0 0 "[ ]" 1 
         7 1  3 SER HA  1  6 ARG H    5.000 . 5.500 3.793 3.793 3.793     . 0 0 "[ ]" 1 
         8 1  4 TRP H   1  4 TRP HA   2.800 . 3.080 2.876 2.876 2.876     . 0 0 "[ ]" 1 
         9 1  4 TRP H   1  4 TRP HB2  2.800 . 3.080 1.968 1.968 1.968     . 0 0 "[ ]" 1 
        10 1  4 TRP H   1  4 TRP HB3  2.800 . 3.080 3.202 3.202 3.202 0.122 1 0 "[ ]" 1 
        11 1  4 TRP H   1  4 TRP HD1  5.000 . 5.500 3.543 3.543 3.543     . 0 0 "[ ]" 1 
        12 1  4 TRP H   1  5 LEU H    3.900 . 4.290 2.689 2.689 2.689     . 0 0 "[ ]" 1 
        13 1  4 TRP HA  1  4 TRP HB3  2.800 . 3.080 2.873 2.873 2.873     . 0 0 "[ ]" 1 
        14 1  4 TRP HA  1  4 TRP HE3  5.000 . 5.500 3.671 3.671 3.671     . 0 0 "[ ]" 1 
        15 1  4 TRP HA  1  5 LEU H    5.000 . 5.500 3.568 3.568 3.568     . 0 0 "[ ]" 1 
        16 1  4 TRP HA  1  7 ASP H    5.000 . 5.500 3.277 3.277 3.277     . 0 0 "[ ]" 1 
        17 1  4 TRP HA  1  7 ASP HB2  5.000 . 5.500 2.692 2.692 2.692     . 0 0 "[ ]" 1 
        18 1  4 TRP HA  1  7 ASP HB3  3.900 . 4.290 2.529 2.529 2.529     . 0 0 "[ ]" 1 
        19 1  4 TRP HB2 1  4 TRP HD1  2.800 . 3.080 2.627 2.627 2.627     . 0 0 "[ ]" 1 
        20 1  4 TRP HB2 1  4 TRP HE3  3.900 . 4.290 4.164 4.164 4.164     . 0 0 "[ ]" 1 
        21 1  4 TRP HB2 1  5 LEU H    3.900 . 4.290 3.199 3.199 3.199     . 0 0 "[ ]" 1 
        22 1  4 TRP HB3 1  4 TRP HD1  3.900 . 4.290 3.793 3.793 3.793     . 0 0 "[ ]" 1 
        23 1  4 TRP HB3 1  4 TRP HE3  2.800 . 3.080 2.650 2.650 2.650     . 0 0 "[ ]" 1 
        24 1  4 TRP HB3 1  5 LEU H    5.000 . 5.500 2.939 2.939 2.939     . 0 0 "[ ]" 1 
        25 1  4 TRP HE3 1  8 ILE MD   2.800 . 4.080 1.819 1.819 1.819     . 0 0 "[ ]" 1 
        26 1  4 TRP HE3 1  8 ILE HG12 5.000 . 5.500 3.577 3.577 3.577     . 0 0 "[ ]" 1 
        27 1  5 LEU H   1  5 LEU HA   2.800 . 3.080 2.855 2.855 2.855     . 0 0 "[ ]" 1 
        28 1  5 LEU H   1  5 LEU HB3  3.900 . 4.290 2.561 2.561 2.561     . 0 0 "[ ]" 1 
        29 1  5 LEU HA  1  5 LEU HB3  2.800 . 3.080 3.039 3.039 3.039     . 0 0 "[ ]" 1 
        30 1  5 LEU HA  1  6 ARG H    3.900 . 4.290 3.575 3.575 3.575     . 0 0 "[ ]" 1 
        31 1  5 LEU HA  1  8 ILE H    3.900 . 4.290 3.759 3.759 3.759     . 0 0 "[ ]" 1 
        32 1  5 LEU HA  1  8 ILE HB   2.800 . 3.080 3.485 3.485 3.485 0.405 1 0 "[ ]" 1 
        33 1  5 LEU HA  1  9 TRP H    5.000 . 5.500 4.593 4.593 4.593     . 0 0 "[ ]" 1 
        34 1  5 LEU HB2 1  6 ARG H    5.000 . 5.500 3.702 3.702 3.702     . 0 0 "[ ]" 1 
        35 1  5 LEU HB3 1  6 ARG H    3.900 . 4.290 2.397 2.397 2.397     . 0 0 "[ ]" 1 
        36 1  6 ARG H   1  6 ARG HA   2.800 . 3.080 2.891 2.891 2.891     . 0 0 "[ ]" 1 
        37 1  6 ARG H   1  6 ARG HB2  2.800 . 3.080 2.447 2.447 2.447     . 0 0 "[ ]" 1 
        38 1  6 ARG H   1  6 ARG HB3  2.800 . 3.080 2.436 2.436 2.436     . 0 0 "[ ]" 1 
        39 1  6 ARG H   1  6 ARG QG   3.900 . 5.290 3.931 3.931 3.931     . 0 0 "[ ]" 1 
        40 1  6 ARG H   1  7 ASP H    2.800 . 3.080 2.580 2.580 2.580     . 0 0 "[ ]" 1 
        41 1  6 ARG HA  1  6 ARG HB2  2.800 . 3.080 2.494 2.494 2.494     . 0 0 "[ ]" 1 
        42 1  6 ARG HA  1  7 ASP H    3.900 . 4.290 3.554 3.554 3.554     . 0 0 "[ ]" 1 
        43 1  6 ARG HA  1  9 TRP H    3.900 . 4.290 3.219 3.219 3.219     . 0 0 "[ ]" 1 
        44 1  6 ARG HA  1  9 TRP QB   2.800 . 4.080 2.351 2.351 2.351     . 0 0 "[ ]" 1 
        45 1  6 ARG HB2 1  7 ASP H    5.000 . 5.500 3.879 3.879 3.879     . 0 0 "[ ]" 1 
        46 1  6 ARG HB3 1  7 ASP H    2.800 . 3.080 2.630 2.630 2.630     . 0 0 "[ ]" 1 
        47 1  7 ASP H   1  7 ASP HA   2.800 . 3.080 2.836 2.836 2.836     . 0 0 "[ ]" 1 
        48 1  7 ASP H   1  7 ASP HB2  3.900 . 4.290 2.330 2.330 2.330     . 0 0 "[ ]" 1 
        49 1  7 ASP H   1  7 ASP HB3  2.800 . 3.080 2.541 2.541 2.541     . 0 0 "[ ]" 1 
        50 1  7 ASP HA  1 10 ASP HB2  5.000 . 5.500 4.177 4.177 4.177     . 0 0 "[ ]" 1 
        51 1  7 ASP HA  1 10 ASP HB3  3.900 . 4.290 3.907 3.907 3.907     . 0 0 "[ ]" 1 
        52 1  8 ILE H   1  8 ILE HA   2.800 . 3.080 2.916 2.916 2.916     . 0 0 "[ ]" 1 
        53 1  8 ILE H   1  8 ILE HB   2.800 . 3.080 2.426 2.426 2.426     . 0 0 "[ ]" 1 
        54 1  8 ILE H   1  9 TRP H    3.900 . 4.290 2.513 2.513 2.513     . 0 0 "[ ]" 1 
        55 1  8 ILE HA  1  9 TRP H    5.000 . 5.500 3.558 3.558 3.558     . 0 0 "[ ]" 1 
        56 1  8 ILE HA  1 11 TRP H    3.900 . 4.290 3.418 3.418 3.418     . 0 0 "[ ]" 1 
        57 1  8 ILE HA  1 11 TRP HB2  3.900 . 4.290 3.064 3.064 3.064     . 0 0 "[ ]" 1 
        58 1  8 ILE HA  1 11 TRP HB3  2.800 . 3.080 2.418 2.418 2.418     . 0 0 "[ ]" 1 
        59 1  8 ILE HA  1 11 TRP HE3  5.000 . 5.500 4.114 4.114 4.114     . 0 0 "[ ]" 1 
        60 1  8 ILE HA  1 12 ILE H    5.000 . 6.500 4.062 4.062 4.062     . 0 0 "[ ]" 1 
        61 1  8 ILE HB  1  9 TRP H    3.900 . 4.290 2.653 2.653 2.653     . 0 0 "[ ]" 1 
        62 1  8 ILE MG  1  9 TRP H    5.000 . 6.500 3.613 3.613 3.613     . 0 0 "[ ]" 1 
        63 1  8 ILE MG  1 11 TRP HE3  5.000 . 6.500 3.022 3.022 3.022     . 0 0 "[ ]" 1 
        64 1  8 ILE MG  1 12 ILE HB   3.900 . 5.290 4.347 4.347 4.347     . 0 0 "[ ]" 1 
        65 1  9 TRP H   1  9 TRP QB   2.800 . 4.080 2.082 2.082 2.082     . 0 0 "[ ]" 1 
        66 1  9 TRP H   1 10 ASP H    2.800 . 3.080 2.939 2.939 2.939     . 0 0 "[ ]" 1 
        67 1  9 TRP HA  1  9 TRP HE3  2.800 . 3.080 2.057 2.057 2.057     . 0 0 "[ ]" 1 
        68 1  9 TRP HA  1 10 ASP H    3.900 . 4.290 3.602 3.602 3.602     . 0 0 "[ ]" 1 
        69 1  9 TRP HA  1 12 ILE H    3.900 . 4.290 3.607 3.607 3.607     . 0 0 "[ ]" 1 
        70 1  9 TRP HA  1 12 ILE HB   2.800 . 3.080 2.934 2.934 2.934     . 0 0 "[ ]" 1 
        71 1  9 TRP QB  1  9 TRP HD1  2.800 . 4.080 2.480 2.480 2.480     . 0 0 "[ ]" 1 
        72 1  9 TRP QB  1  9 TRP HE3  2.800 . 4.080 3.050 3.050 3.050     . 0 0 "[ ]" 1 
        73 1  9 TRP QB  1 10 ASP H    2.800 . 4.080 2.236 2.236 2.236     . 0 0 "[ ]" 1 
        74 1  9 TRP HE3 1 12 ILE MD   2.800 . 4.080 2.368 2.368 2.368     . 0 0 "[ ]" 1 
        75 1  9 TRP HE3 1 12 ILE MG   3.900 . 5.290 4.292 4.292 4.292     . 0 0 "[ ]" 1 
        76 1 10 ASP H   1 10 ASP HA   2.800 . 3.080 2.865 2.865 2.865     . 0 0 "[ ]" 1 
        77 1 10 ASP H   1 10 ASP HB2  3.900 . 4.290 2.220 2.220 2.220     . 0 0 "[ ]" 1 
        78 1 10 ASP H   1 10 ASP HB3  2.800 . 3.080 2.713 2.713 2.713     . 0 0 "[ ]" 1 
        79 1 10 ASP H   1 11 TRP H    3.900 . 4.290 2.706 2.706 2.706     . 0 0 "[ ]" 1 
        80 1 10 ASP HA  1 10 ASP HB2  2.800 . 3.080 2.603 2.603 2.603     . 0 0 "[ ]" 1 
        81 1 10 ASP HA  1 11 TRP H    5.000 . 5.500 3.567 3.567 3.567     . 0 0 "[ ]" 1 
        82 1 10 ASP HA  1 13 CYS H    3.900 . 4.290 3.367 3.367 3.367     . 0 0 "[ ]" 1 
        83 1 10 ASP HA  1 13 CYS HB2  3.900 . 4.290 2.668 2.668 2.668     . 0 0 "[ ]" 1 
        84 1 10 ASP HA  1 13 CYS HB3  2.800 . 3.080 3.286 3.286 3.286 0.206 1 0 "[ ]" 1 
        85 1 10 ASP HB2 1 11 TRP H    5.000 . 5.500 3.658 3.658 3.658     . 0 0 "[ ]" 1 
        86 1 10 ASP HB3 1 11 TRP H    3.900 . 4.290 2.544 2.544 2.544     . 0 0 "[ ]" 1 
        87 1 11 TRP H   1 11 TRP HA   2.800 . 3.080 2.852 2.852 2.852     . 0 0 "[ ]" 1 
        88 1 11 TRP H   1 11 TRP HB2  2.800 . 3.080 2.406 2.406 2.406     . 0 0 "[ ]" 1 
        89 1 11 TRP H   1 11 TRP HB3  2.800 . 3.080 2.464 2.464 2.464     . 0 0 "[ ]" 1 
        90 1 11 TRP H   1 12 ILE H    3.900 . 4.290 2.758 2.758 2.758     . 0 0 "[ ]" 1 
        91 1 11 TRP H   1 13 CYS H    5.000 . 5.500 4.097 4.097 4.097     . 0 0 "[ ]" 1 
        92 1 11 TRP HA  1 11 TRP HB2  2.800 . 3.080 2.487 2.487 2.487     . 0 0 "[ ]" 1 
        93 1 11 TRP HA  1 11 TRP HD1  3.900 . 4.290 3.041 3.041 3.041     . 0 0 "[ ]" 1 
        94 1 11 TRP HA  1 11 TRP HE3  5.000 . 5.500 4.558 4.558 4.558     . 0 0 "[ ]" 1 
        95 1 11 TRP HA  1 12 ILE H    3.900 . 4.290 3.581 3.581 3.581     . 0 0 "[ ]" 1 
        96 1 11 TRP HA  1 14 GLU H    2.800 . 3.080 3.607 3.607 3.607 0.527 1 1  [+]  1 
        97 1 11 TRP HA  1 14 GLU HB2  3.900 . 4.290 3.231 3.231 3.231     . 0 0 "[ ]" 1 
        98 1 11 TRP HA  1 14 GLU HB3  5.000 . 5.500 4.826 4.826 4.826     . 0 0 "[ ]" 1 
        99 1 11 TRP HA  1 15 VAL H    5.000 . 5.500 4.470 4.470 4.470     . 0 0 "[ ]" 1 
       100 1 11 TRP HB2 1 11 TRP HD1  2.800 . 3.080 2.668 2.668 2.668     . 0 0 "[ ]" 1 
       101 1 11 TRP HB2 1 11 TRP HE3  3.900 . 4.290 4.125 4.125 4.125     . 0 0 "[ ]" 1 
       102 1 11 TRP HB2 1 12 ILE H    3.900 . 4.290 3.817 3.817 3.817     . 0 0 "[ ]" 1 
       103 1 11 TRP HB3 1 11 TRP HD1  3.900 . 4.290 3.821 3.821 3.821     . 0 0 "[ ]" 1 
       104 1 11 TRP HB3 1 11 TRP HE3  3.900 . 4.290 2.590 2.590 2.590     . 0 0 "[ ]" 1 
       105 1 11 TRP HB3 1 12 ILE H    5.000 . 5.500 2.483 2.483 2.483     . 0 0 "[ ]" 1 
       106 1 11 TRP HD1 1 15 VAL MG2  3.900 . 5.290 4.618 4.618 4.618     . 0 0 "[ ]" 1 
       107 1 11 TRP HE1 1 15 VAL MG2  3.900 . 5.290 3.922 3.922 3.922     . 0 0 "[ ]" 1 
       108 1 11 TRP HE3 1 12 ILE MD   3.900 . 5.290 3.643 3.643 3.643     . 0 0 "[ ]" 1 
       109 1 11 TRP HE3 1 12 ILE HG12 5.000 . 5.500 2.979 2.979 2.979     . 0 0 "[ ]" 1 
       110 1 11 TRP HE3 1 12 ILE MG   5.000 . 6.500 4.218 4.218 4.218     . 0 0 "[ ]" 1 
       111 1 11 TRP HE3 1 15 VAL MG2  5.000 . 6.500 3.239 3.239 3.239     . 0 0 "[ ]" 1 
       112 1 11 TRP HZ2 1 15 VAL MG2  3.900 . 5.290 3.110 3.110 3.110     . 0 0 "[ ]" 1 
       113 1 12 ILE H   1 12 ILE HA   2.800 . 3.080 2.874 2.874 2.874     . 0 0 "[ ]" 1 
       114 1 12 ILE H   1 12 ILE HB   2.800 . 3.080 2.341 2.341 2.341     . 0 0 "[ ]" 1 
       115 1 12 ILE H   1 12 ILE MD   5.000 . 6.500 3.031 3.031 3.031     . 0 0 "[ ]" 1 
       116 1 12 ILE H   1 12 ILE MG   3.900 . 5.290 3.711 3.711 3.711     . 0 0 "[ ]" 1 
       117 1 12 ILE H   1 13 CYS H    2.800 . 3.080 2.659 2.659 2.659     . 0 0 "[ ]" 1 
       118 1 12 ILE HA  1 12 ILE HB   2.800 . 3.080 3.039 3.039 3.039     . 0 0 "[ ]" 1 
       119 1 12 ILE HA  1 13 CYS H    3.900 . 4.290 3.558 3.558 3.558     . 0 0 "[ ]" 1 
       120 1 12 ILE HA  1 15 VAL H    3.900 . 4.290 3.246 3.246 3.246     . 0 0 "[ ]" 1 
       121 1 12 ILE HA  1 15 VAL HB   2.800 . 3.080 2.309 2.309 2.309     . 0 0 "[ ]" 1 
       122 1 12 ILE HA  1 15 VAL MG1  3.900 . 5.290 3.714 3.714 3.714     . 0 0 "[ ]" 1 
       123 1 12 ILE HA  1 15 VAL MG2  2.800 . 4.080 2.804 2.804 2.804     . 0 0 "[ ]" 1 
       124 1 12 ILE HA  1 16 LEU H    5.000 . 5.500 3.819 3.819 3.819     . 0 0 "[ ]" 1 
       125 1 12 ILE HB  1 13 CYS H    2.800 . 3.080 2.719 2.719 2.719     . 0 0 "[ ]" 1 
       126 1 12 ILE MG  1 13 CYS H    5.000 . 5.500 3.458 3.458 3.458     . 0 0 "[ ]" 1 
       127 1 13 CYS H   1 13 CYS HA   2.800 . 3.080 2.846 2.846 2.846     . 0 0 "[ ]" 1 
       128 1 13 CYS H   1 13 CYS HB2  3.900 . 4.290 2.140 2.140 2.140     . 0 0 "[ ]" 1 
       129 1 13 CYS H   1 13 CYS HB3  2.800 . 3.080 2.801 2.801 2.801     . 0 0 "[ ]" 1 
       130 1 13 CYS H   1 13 CYS HG   5.000 . 5.500 4.716 4.716 4.716     . 0 0 "[ ]" 1 
       131 1 13 CYS H   1 14 GLU H    3.900 . 4.290 2.760 2.760 2.760     . 0 0 "[ ]" 1 
       132 1 13 CYS H   1 15 VAL H    5.000 . 5.500 4.198 4.198 4.198     . 0 0 "[ ]" 1 
       133 1 13 CYS HA  1 13 CYS HB2  2.800 . 3.080 2.640 2.640 2.640     . 0 0 "[ ]" 1 
       134 1 13 CYS HA  1 13 CYS HB3  2.800 . 3.080 3.012 3.012 3.012     . 0 0 "[ ]" 1 
       135 1 13 CYS HA  1 14 GLU H    3.900 . 4.290 3.572 3.572 3.572     . 0 0 "[ ]" 1 
       136 1 13 CYS HA  1 16 LEU H    3.900 . 4.290 3.614 3.614 3.614     . 0 0 "[ ]" 1 
       137 1 13 CYS HA  1 16 LEU HB2  3.900 . 4.290 3.269 3.269 3.269     . 0 0 "[ ]" 1 
       138 1 13 CYS HA  1 16 LEU HB3  2.800 . 3.080 2.852 2.852 2.852     . 0 0 "[ ]" 1 
       139 1 13 CYS HA  1 17 SER H    5.000 . 5.500 4.317 4.317 4.317     . 0 0 "[ ]" 1 
       140 1 13 CYS HB2 1 14 GLU H    3.900 . 4.290 3.572 3.572 3.572     . 0 0 "[ ]" 1 
       141 1 13 CYS HB3 1 14 GLU H    3.900 . 4.290 2.526 2.526 2.526     . 0 0 "[ ]" 1 
       142 1 14 GLU H   1 14 GLU HA   2.800 . 3.080 2.902 2.902 2.902     . 0 0 "[ ]" 1 
       143 1 14 GLU H   1 14 GLU HB2  3.900 . 4.290 2.290 2.290 2.290     . 0 0 "[ ]" 1 
       144 1 14 GLU H   1 14 GLU HB3  2.800 . 3.080 3.531 3.531 3.531 0.451 1 0 "[ ]" 1 
       145 1 14 GLU H   1 15 VAL H    2.800 . 3.080 2.602 2.602 2.602     . 0 0 "[ ]" 1 
       146 1 14 GLU H   1 15 VAL MG2  5.000 . 6.500 4.188 4.188 4.188     . 0 0 "[ ]" 1 
       147 1 14 GLU HA  1 15 VAL H    2.800 . 3.080 3.581 3.581 3.581 0.501 1 1  [+]  1 
       148 1 14 GLU HA  1 16 LEU H    5.000 . 5.500 4.337 4.337 4.337     . 0 0 "[ ]" 1 
       149 1 14 GLU HB2 1 15 VAL H    2.800 . 3.080 2.506 2.506 2.506     . 0 0 "[ ]" 1 
       150 1 14 GLU HB3 1 15 VAL H    2.800 . 3.080 3.492 3.492 3.492 0.412 1 0 "[ ]" 1 
       151 1 15 VAL H   1 15 VAL HA   2.800 . 3.080 2.876 2.876 2.876     . 0 0 "[ ]" 1 
       152 1 15 VAL H   1 15 VAL HB   2.800 . 3.080 2.355 2.355 2.355     . 0 0 "[ ]" 1 
       153 1 15 VAL H   1 15 VAL MG1  3.900 . 5.290 3.712 3.712 3.712     . 0 0 "[ ]" 1 
       154 1 15 VAL H   1 15 VAL MG2  2.800 . 4.080 2.334 2.334 2.334     . 0 0 "[ ]" 1 
       155 1 15 VAL H   1 16 LEU H    3.900 . 4.290 2.647 2.647 2.647     . 0 0 "[ ]" 1 
       156 1 15 VAL H   1 17 SER H    5.000 . 5.500 4.443 4.443 4.443     . 0 0 "[ ]" 1 
       157 1 15 VAL HA  1 15 VAL HB   2.800 . 3.080 3.040 3.040 3.040     . 0 0 "[ ]" 1 
       158 1 15 VAL HA  1 16 LEU H    3.900 . 4.290 3.558 3.558 3.558     . 0 0 "[ ]" 1 
       159 1 15 VAL HA  1 18 ASP H    3.900 . 4.290 3.388 3.388 3.388     . 0 0 "[ ]" 1 
       160 1 15 VAL HA  1 18 ASP HB2  3.900 . 4.290 3.131 3.131 3.131     . 0 0 "[ ]" 1 
       161 1 15 VAL HA  1 18 ASP HB3  2.800 . 3.080 2.164 2.164 2.164     . 0 0 "[ ]" 1 
       162 1 15 VAL HA  1 19 PHE H    5.000 . 5.500 3.639 3.639 3.639     . 0 0 "[ ]" 1 
       163 1 15 VAL HB  1 16 LEU H    2.800 . 3.080 2.693 2.693 2.693     . 0 0 "[ ]" 1 
       164 1 15 VAL MG1 1 16 LEU H    3.900 . 5.290 3.482 3.482 3.482     . 0 0 "[ ]" 1 
       165 1 15 VAL MG2 1 16 LEU H    5.000 . 6.500 3.939 3.939 3.939     . 0 0 "[ ]" 1 
       166 1 16 LEU H   1 16 LEU HA   2.800 . 3.080 2.862 2.862 2.862     . 0 0 "[ ]" 1 
       167 1 16 LEU H   1 16 LEU HB2  3.900 . 4.290 2.402 2.402 2.402     . 0 0 "[ ]" 1 
       168 1 16 LEU H   1 16 LEU HB3  2.800 . 3.080 2.480 2.480 2.480     . 0 0 "[ ]" 1 
       169 1 16 LEU H   1 17 SER H    2.800 . 3.080 2.794 2.794 2.794     . 0 0 "[ ]" 1 
       170 1 16 LEU H   1 18 ASP H    5.000 . 5.500 3.980 3.980 3.980     . 0 0 "[ ]" 1 
       171 1 16 LEU HA  1 16 LEU HB2  2.800 . 3.080 2.499 2.499 2.499     . 0 0 "[ ]" 1 
       172 1 16 LEU HA  1 16 LEU HB3  2.800 . 3.080 3.041 3.041 3.041     . 0 0 "[ ]" 1 
       173 1 16 LEU HA  1 17 SER H    3.900 . 4.290 3.592 3.592 3.592     . 0 0 "[ ]" 1 
       174 1 16 LEU HA  1 19 PHE H    3.900 . 4.290 3.669 3.669 3.669     . 0 0 "[ ]" 1 
       175 1 16 LEU HA  1 19 PHE HB2  2.800 . 3.080 2.717 2.717 2.717     . 0 0 "[ ]" 1 
       176 1 16 LEU HA  1 19 PHE HB3  3.900 . 4.290 3.910 3.910 3.910     . 0 0 "[ ]" 1 
       177 1 16 LEU HA  1 20 LYS H    5.000 . 5.500 4.459 4.459 4.459     . 0 0 "[ ]" 1 
       178 1 16 LEU HB2 1 17 SER H    3.900 . 4.290 3.701 3.701 3.701     . 0 0 "[ ]" 1 
       179 1 16 LEU HB3 1 17 SER H    2.800 . 3.080 2.294 2.294 2.294     . 0 0 "[ ]" 1 
       180 1 16 LEU QD  1 17 SER H    3.900 . 6.290 2.916 2.916 2.916     . 0 0 "[ ]" 1 
       181 1 17 SER H   1 17 SER HA   2.800 . 3.080 2.886 2.886 2.886     . 0 0 "[ ]" 1 
       182 1 17 SER H   1 17 SER HB2  3.900 . 4.290 2.289 2.289 2.289     . 0 0 "[ ]" 1 
       183 1 17 SER H   1 17 SER HB3  3.900 . 4.290 3.529 3.529 3.529     . 0 0 "[ ]" 1 
       184 1 17 SER H   1 18 ASP H    2.800 . 3.080 2.616 2.616 2.616     . 0 0 "[ ]" 1 
       185 1 17 SER H   1 19 PHE H    5.000 . 5.500 4.246 4.246 4.246     . 0 0 "[ ]" 1 
       186 1 17 SER HA  1 17 SER HB2  2.800 . 3.080 3.035 3.035 3.035     . 0 0 "[ ]" 1 
       187 1 17 SER HA  1 17 SER HB3  2.800 . 3.080 2.555 2.555 2.555     . 0 0 "[ ]" 1 
       188 1 17 SER HA  1 18 ASP H    3.900 . 4.290 3.564 3.564 3.564     . 0 0 "[ ]" 1 
       189 1 17 SER HA  1 20 LYS H    3.900 . 4.290 3.580 3.580 3.580     . 0 0 "[ ]" 1 
       190 1 17 SER HA  1 20 LYS HB2  5.000 . 5.500 3.343 3.343 3.343     . 0 0 "[ ]" 1 
       191 1 17 SER HA  1 20 LYS HB3  3.900 . 4.290 3.176 3.176 3.176     . 0 0 "[ ]" 1 
       192 1 17 SER HA  1 21 THR H    5.000 . 5.500 4.503 4.503 4.503     . 0 0 "[ ]" 1 
       193 1 17 SER HB2 1 18 ASP H    5.000 . 5.500 2.584 2.584 2.584     . 0 0 "[ ]" 1 
       194 1 17 SER HB3 1 18 ASP H    3.900 . 4.290 3.535 3.535 3.535     . 0 0 "[ ]" 1 
       195 1 18 ASP H   1 18 ASP HA   2.800 . 3.080 2.864 2.864 2.864     . 0 0 "[ ]" 1 
       196 1 18 ASP H   1 18 ASP HB2  3.900 . 4.290 2.480 2.480 2.480     . 0 0 "[ ]" 1 
       197 1 18 ASP H   1 18 ASP HB3  2.800 . 3.080 2.404 2.404 2.404     . 0 0 "[ ]" 1 
       198 1 18 ASP H   1 19 PHE H    2.800 . 3.080 2.742 2.742 2.742     . 0 0 "[ ]" 1 
       199 1 18 ASP H   1 20 LYS H    5.000 . 5.500 4.217 4.217 4.217     . 0 0 "[ ]" 1 
       200 1 18 ASP HA  1 19 PHE H    3.900 . 4.290 3.586 3.586 3.586     . 0 0 "[ ]" 1 
       201 1 18 ASP HA  1 20 LYS H    5.000 . 5.500 4.407 4.407 4.407     . 0 0 "[ ]" 1 
       202 1 18 ASP HA  1 21 THR H    2.800 . 3.080 3.452 3.452 3.452 0.372 1 0 "[ ]" 1 
       203 1 18 ASP HA  1 21 THR HB   3.900 . 4.290 2.943 2.943 2.943     . 0 0 "[ ]" 1 
       204 1 18 ASP HB2 1 19 PHE H    5.000 . 5.500 3.777 3.777 3.777     . 0 0 "[ ]" 1 
       205 1 18 ASP HB3 1 19 PHE H    2.800 . 3.080 2.372 2.372 2.372     . 0 0 "[ ]" 1 
       206 1 19 PHE H   1 19 PHE HA   2.800 . 3.080 2.823 2.823 2.823     . 0 0 "[ ]" 1 
       207 1 19 PHE H   1 19 PHE HB2  3.900 . 4.290 1.985 1.985 1.985     . 0 0 "[ ]" 1 
       208 1 19 PHE H   1 19 PHE HB3  2.800 . 3.080 3.326 3.326 3.326 0.246 1 0 "[ ]" 1 
       209 1 19 PHE H   1 20 LYS H    2.800 . 3.080 2.848 2.848 2.848     . 0 0 "[ ]" 1 
       210 1 19 PHE H   1 21 THR H    5.000 . 5.500 4.377 4.377 4.377     . 0 0 "[ ]" 1 
       211 1 19 PHE HA  1 19 PHE QD   2.800 . 5.080 2.897 2.897 2.897     . 0 0 "[ ]" 1 
       212 1 19 PHE HA  1 20 LYS H    5.000 . 5.500 3.578 3.578 3.578     . 0 0 "[ ]" 1 
       213 1 19 PHE HA  1 22 TRP QB       . . 4.290 2.329 2.329 2.329     . 0 0 "[ ]" 1 
       214 1 19 PHE HA  1 22 TRP HE3  5.000 . 5.500 4.568 4.568 4.568     . 0 0 "[ ]" 1 
       215 1 19 PHE HA  1 23 LEU H    5.000 . 5.500 3.858 3.858 3.858     . 0 0 "[ ]" 1 
       216 1 19 PHE HB2 1 20 LYS H    2.800 . 3.080 2.990 2.990 2.990     . 0 0 "[ ]" 1 
       217 1 19 PHE HB3 1 20 LYS H    3.900 . 4.290 2.915 2.915 2.915     . 0 0 "[ ]" 1 
       218 1 19 PHE QD  1 23 LEU MD1  5.000 . 8.500 2.694 2.694 2.694     . 0 0 "[ ]" 1 
       219 1 19 PHE QD  1 23 LEU MD2  5.000 . 8.500 4.372 4.372 4.372     . 0 0 "[ ]" 1 
       220 1 19 PHE QE  1 23 LEU MD1  2.800 . 6.080 3.682 3.682 3.682     . 0 0 "[ ]" 1 
       221 1 19 PHE QE  1 23 LEU MD2  3.900 . 7.290 5.439 5.439 5.439     . 0 0 "[ ]" 1 
       222 1 20 LYS H   1 20 LYS HA   2.800 . 3.080 2.858 2.858 2.858     . 0 0 "[ ]" 1 
       223 1 20 LYS H   1 20 LYS HB2  2.800 . 3.080 2.311 2.311 2.311     . 0 0 "[ ]" 1 
       224 1 20 LYS H   1 20 LYS HB3  3.900 . 4.290 2.571 2.571 2.571     . 0 0 "[ ]" 1 
       225 1 20 LYS H   1 21 THR H    2.800 . 3.080 2.768 2.768 2.768     . 0 0 "[ ]" 1 
       226 1 20 LYS HA  1 20 LYS HB3  2.800 . 3.080 3.036 3.036 3.036     . 0 0 "[ ]" 1 
       227 1 20 LYS HA  1 23 LEU H    3.900 . 4.290 3.826 3.826 3.826     . 0 0 "[ ]" 1 
       228 1 20 LYS HA  1 23 LEU QB   2.800 . 4.080 3.029 3.029 3.029     . 0 0 "[ ]" 1 
       229 1 20 LYS HB3 1 21 THR H    5.000 . 5.500 2.381 2.381 2.381     . 0 0 "[ ]" 1 
       230 1 21 THR H   1 21 THR HA   2.800 . 3.080 2.906 2.906 2.906     . 0 0 "[ ]" 1 
       231 1 21 THR H   1 22 TRP H    3.900 . 4.290 2.553 2.553 2.553     . 0 0 "[ ]" 1 
       232 1 21 THR HA  1 21 THR HB   2.800 . 3.080 3.035 3.035 3.035     . 0 0 "[ ]" 1 
       233 1 21 THR HA  1 22 TRP H    3.900 . 4.290 3.562 3.562 3.562     . 0 0 "[ ]" 1 
       234 1 21 THR HA  1 24 LYS H    2.800 . 3.080 3.445 3.445 3.445 0.365 1 0 "[ ]" 1 
       235 1 21 THR HA  1 24 LYS QB   2.800 . 4.080 2.661 2.661 2.661     . 0 0 "[ ]" 1 
       236 1 21 THR MG  1 22 TRP H    5.000 . 6.500 3.718 3.718 3.718     . 0 0 "[ ]" 1 
       237 1 22 TRP H   1 22 TRP HA   2.800 . 3.080 2.850 2.850 2.850     . 0 0 "[ ]" 1 
       238 1 22 TRP H   1 22 TRP QB       . . 3.080 2.107 2.107 2.107     . 0 0 "[ ]" 1 
       239 1 22 TRP H   1 23 LEU H    3.900 . 4.290 2.768 2.768 2.768     . 0 0 "[ ]" 1 
       240 1 22 TRP HA  1 22 TRP HD1  3.900 . 4.290 3.178 3.178 3.178     . 0 0 "[ ]" 1 
       241 1 22 TRP HA  1 22 TRP HE3  5.000 . 5.500 4.241 4.241 4.241     . 0 0 "[ ]" 1 
       242 1 22 TRP HA  1 23 LEU H    3.900 . 4.290 3.579 3.579 3.579     . 0 0 "[ ]" 1 
       243 1 22 TRP HA  1 24 LYS H    5.000 . 5.500 4.589 4.589 4.589     . 0 0 "[ ]" 1 
       244 1 22 TRP HA  1 25 ALA H    3.900 . 4.290 3.547 3.547 3.547     . 0 0 "[ ]" 1 
       245 1 22 TRP HA  1 25 ALA MB   2.800 . 4.080 2.406 2.406 2.406     . 0 0 "[ ]" 1 
       246 1 22 TRP HA  1 26 LYS H    5.000 . 5.500 3.980 3.980 3.980     . 0 0 "[ ]" 1 
       247 1 22 TRP QB  1 22 TRP HD1      . . 3.080 2.573 2.573 2.573     . 0 0 "[ ]" 1 
       248 1 22 TRP QB  1 23 LEU H        . . 3.080 2.424 2.424 2.424     . 0 0 "[ ]" 1 
       249 1 22 TRP HE3 1 23 LEU HA   2.800 . 3.080 2.725 2.725 2.725     . 0 0 "[ ]" 1 
       250 1 22 TRP HE3 1 23 LEU MD1  5.000 . 6.500 2.296 2.296 2.296     . 0 0 "[ ]" 1 
       251 1 22 TRP HZ3 1 23 LEU MD1  5.000 . 6.500 3.651 3.651 3.651     . 0 0 "[ ]" 1 
       252 1 22 TRP HZ3 1 23 LEU MD2  5.000 . 6.500 5.473 5.473 5.473     . 0 0 "[ ]" 1 
       253 1 23 LEU H   1 23 LEU QB   2.800 . 4.080 1.958 1.958 1.958     . 0 0 "[ ]" 1 
       254 1 23 LEU H   1 24 LYS H    3.900 . 4.290 2.697 2.697 2.697     . 0 0 "[ ]" 1 
       255 1 23 LEU H   1 25 ALA H    5.000 . 5.500 4.108 4.108 4.108     . 0 0 "[ ]" 1 
       256 1 23 LEU HA  1 24 LYS H    3.900 . 4.290 3.576 3.576 3.576     . 0 0 "[ ]" 1 
       257 1 23 LEU HA  1 25 ALA H    5.000 . 5.500 4.560 4.560 4.560     . 0 0 "[ ]" 1 
       258 1 23 LEU HA  1 26 LYS H    3.900 . 4.290 3.604 3.604 3.604     . 0 0 "[ ]" 1 
       259 1 23 LEU HA  1 26 LYS QB   2.800 . 4.080 2.877 2.877 2.877     . 0 0 "[ ]" 1 
       260 1 23 LEU HA  1 27 LEU H    5.000 . 5.500 3.970 3.970 3.970     . 0 0 "[ ]" 1 
       261 1 23 LEU QB  1 24 LYS H    2.800 . 4.080 2.605 2.605 2.605     . 0 0 "[ ]" 1 
       262 1 24 LYS H   1 24 LYS HA   2.800 . 3.080 2.883 2.883 2.883     . 0 0 "[ ]" 1 
       263 1 24 LYS H   1 24 LYS QB   2.800 . 4.080 2.154 2.154 2.154     . 0 0 "[ ]" 1 
       264 1 24 LYS H   1 25 ALA H    2.800 . 3.080 2.646 2.646 2.646     . 0 0 "[ ]" 1 
       265 1 24 LYS HA  1 25 ALA H    3.900 . 4.290 3.574 3.574 3.574     . 0 0 "[ ]" 1 
       266 1 24 LYS HA  1 26 LYS H    5.000 . 5.500 4.489 4.489 4.489     . 0 0 "[ ]" 1 
       267 1 24 LYS HA  1 27 LEU H    3.900 . 4.290 3.504 3.504 3.504     . 0 0 "[ ]" 1 
       268 1 24 LYS QB  1 25 ALA H    2.800 . 4.080 2.446 2.446 2.446     . 0 0 "[ ]" 1 
       269 1 25 ALA H   1 25 ALA HA   2.800 . 3.080 2.870 2.870 2.870     . 0 0 "[ ]" 1 
       270 1 25 ALA H   1 25 ALA MB   2.800 . 4.080 2.073 2.073 2.073     . 0 0 "[ ]" 1 
       271 1 25 ALA HA  1 26 LYS H    3.900 . 4.290 3.577 3.577 3.577     . 0 0 "[ ]" 1 
       272 1 25 ALA HA  1 27 LEU H    5.000 . 5.500 4.591 4.591 4.591     . 0 0 "[ ]" 1 
       273 1 25 ALA HA  1 28 MET QB   3.900 . 5.290 2.719 2.719 2.719     . 0 0 "[ ]" 1 
       274 1 25 ALA MB  1 26 LYS H    2.800 . 4.080 2.541 2.541 2.541     . 0 0 "[ ]" 1 
       275 1 26 LYS H   1 26 LYS HA   2.800 . 3.080 2.907 2.907 2.907     . 0 0 "[ ]" 1 
       276 1 26 LYS H   1 26 LYS QB   2.800 . 4.080 2.172 2.172 2.172     . 0 0 "[ ]" 1 
       277 1 26 LYS H   1 26 LYS HG2  5.000 . 5.500 4.405 4.405 4.405     . 0 0 "[ ]" 1 
       278 1 26 LYS H   1 26 LYS HG3  3.900 . 4.290 4.378 4.378 4.378 0.088 1 0 "[ ]" 1 
       279 1 26 LYS HA  1 27 LEU H    3.900 . 4.290 3.571 3.571 3.571     . 0 0 "[ ]" 1 
       280 1 26 LYS QB  1 27 LEU H    2.800 . 4.080 2.523 2.523 2.523     . 0 0 "[ ]" 1 
       281 1 27 LEU H   1 27 LEU HA   2.800 . 3.080 2.891 2.891 2.891     . 0 0 "[ ]" 1 
       282 1 27 LEU H   1 27 LEU HB2  3.900 . 4.290 2.307 2.307 2.307     . 0 0 "[ ]" 1 
       283 1 27 LEU H   1 27 LEU HB3  2.800 . 3.080 2.601 2.601 2.601     . 0 0 "[ ]" 1 
       284 1 27 LEU HA  1 27 LEU HB3  2.800 . 3.080 3.029 3.029 3.029     . 0 0 "[ ]" 1 
       285 1 27 LEU HA  1 28 MET H    3.900 . 4.290 3.555 3.555 3.555     . 0 0 "[ ]" 1 
       286 1 27 LEU HB2 1 28 MET H    3.900 . 4.290 3.827 3.827 3.827     . 0 0 "[ ]" 1 
       287 1 27 LEU HB3 1 28 MET H    3.900 . 4.290 2.717 2.717 2.717     . 0 0 "[ ]" 1 
       288 1 28 MET H   1 28 MET QB   2.800 . 4.080 2.053 2.053 2.053     . 0 0 "[ ]" 1 
       289 1 28 MET HA  1 29 PRO HD2  5.000 . 5.500 2.147 2.147 2.147     . 0 0 "[ ]" 1 
       290 1 28 MET HA  1 29 PRO HD3  5.000 . 5.500 2.230 2.230 2.230     . 0 0 "[ ]" 1 
       291 1 28 MET HA  1 29 PRO QG   5.000 . 6.500 3.848 3.848 3.848     . 0 0 "[ ]" 1 
       292 1 28 MET QB  1 29 PRO HD2  3.900 . 5.290 3.472 3.472 3.472     . 0 0 "[ ]" 1 
       293 1 28 MET QB  1 29 PRO HD3  3.900 . 5.290 4.200 4.200 4.200     . 0 0 "[ ]" 1 
       294 1 29 PRO HA  1 29 PRO HB3  2.800 . 3.080 2.313 2.313 2.313     . 0 0 "[ ]" 1 
       295 1 29 PRO HB2 1 30 GLN H    2.800 . 3.080 2.326 2.326 2.326     . 0 0 "[ ]" 1 
       296 1 29 PRO HB3 1 30 GLN H    2.800 . 3.080 3.384 3.384 3.384 0.304 1 0 "[ ]" 1 
       297 1 30 GLN H   1 30 GLN HA   2.800 . 3.080 2.891 2.891 2.891     . 0 0 "[ ]" 1 
       298 1 30 GLN H   1 30 GLN HB3  3.900 . 4.290 2.704 2.704 2.704     . 0 0 "[ ]" 1 
       299 1 31 LEU H   1 31 LEU HA   2.800 . 3.080 3.000 3.000 3.000     . 0 0 "[ ]" 1 
       300 1 31 LEU H   1 31 LEU QB   2.800 . 4.080 2.527 2.527 2.527     . 0 0 "[ ]" 1 
    stop_

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