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
470038 2ajj 6757 cing 4-filtered-FRED Wattos check violation distance


data_2ajj


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              244
    _Distance_constraint_stats_list.Viol_count                    1254
    _Distance_constraint_stats_list.Viol_total                    7748.998
    _Distance_constraint_stats_list.Viol_max                      0.605
    _Distance_constraint_stats_list.Viol_rms                      0.0973
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0330
    _Distance_constraint_stats_list.Viol_average_violations_only  0.1993
    _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    .    3 ]" 
       1  2 GLY  5.333 0.344  2 0 "[    .    1    .    2    .    3 ]" 
       1  3 ASN  6.714 0.344  2 0 "[    .    1    .    2    .    3 ]" 
       1  4 TYR  3.896 0.278 13 0 "[    .    1    .    2    .    3 ]" 
       1  5 VAL  7.686 0.228 13 0 "[    .    1    .    2    .    3 ]" 
       1  6 LEU  7.141 0.372 16 0 "[    .    1    .    2    .    3 ]" 
       1  7 ASP 10.346 0.321 19 0 "[    .    1    .    2    .    3 ]" 
       1  8 LEU 24.460 0.321 19 0 "[    .    1    .    2    .    3 ]" 
       1  9 ILE 28.999 0.424 22 0 "[    .    1    .    2    .    3 ]" 
       1 10 TYR 38.203 0.424 22 0 "[    .    1    .    2    .    3 ]" 
       1 11 SER 11.885 0.234  2 0 "[    .    1    .    2    .    3 ]" 
       1 12 LEU 21.880 0.456 15 0 "[    .    1    .    2    .    3 ]" 
       1 13 HIS 31.685 0.555 17 3 "[    *-   1    . +  2    .    3 ]" 
       1 14 LYS 17.685 0.452 10 0 "[    .    1    .    2    .    3 ]" 
       1 15 GLN 34.060 0.461  1 0 "[    .    1    .    2    .    3 ]" 
       1 16 ILE 33.024 0.555 17 3 "[    *-   1    . +  2    .    3 ]" 
       1 17 ASN 23.658 0.461 19 0 "[    .    1    .    2    .    3 ]" 
       1 18 ARG  6.349 0.381 27 0 "[    .    1    .    2    .    3 ]" 
       1 19 GLY  0.595 0.080  7 0 "[    .    1    .    2    .    3 ]" 
       1 20 LEU 21.915 0.478 15 0 "[    .    1    .    2    .    3 ]" 
       1 21 LYS 34.655 0.605 13 2 "[    .   -1  + .    2    .    3 ]" 
       1 22 LYS 37.706 0.605 13 2 "[    .   -1  + .    2    .    3 ]" 
       1 23 ILE 32.743 0.468  1 0 "[    .    1    .    2    .    3 ]" 
       1 24 VAL 28.066 0.468  1 0 "[    .    1    .    2    .    3 ]" 
       1 25 LEU 24.819 0.459 20 0 "[    .    1    .    2    .    3 ]" 
       1 26 GLY  5.727 0.396 31 0 "[    .    1    .    2    .    3 ]" 
       1 27 TRP  0.702 0.117 23 0 "[    .    1    .    2    .    3 ]" 
    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    3.500     . 3.900 2.757 2.214 3.607     .  0 0 "[    .    1    .    2    .    3 ]" 1 
         2 1  1 SER QB   1  2 GLY H    3.500     . 4.900 2.868 2.022 3.966     .  0 0 "[    .    1    .    2    .    3 ]" 1 
         3 1  2 GLY H    1  3 ASN H    3.500     . 3.900 3.297 2.447 4.106 0.206 21 0 "[    .    1    .    2    .    3 ]" 1 
         4 1  2 GLY QA   1  3 ASN H    3.500 2.500 4.800 2.371 2.156 2.787 0.344  2 0 "[    .    1    .    2    .    3 ]" 1 
         5 1  3 ASN HA   1  4 TYR H    3.500     . 3.900 2.887 2.336 3.597     .  0 0 "[    .    1    .    2    .    3 ]" 1 
         6 1  3 ASN HB2  1  4 TYR H    3.500     . 3.900 3.489 1.923 4.111 0.211 18 0 "[    .    1    .    2    .    3 ]" 1 
         7 1  3 ASN HB3  1  4 TYR H    3.500     . 3.900 2.933 2.028 4.178 0.278 13 0 "[    .    1    .    2    .    3 ]" 1 
         8 1  4 TYR H    1  5 VAL H    2.800     . 3.100 2.433 1.923 3.154 0.054 19 0 "[    .    1    .    2    .    3 ]" 1 
         9 1  4 TYR H    1  6 LEU H    4.500     . 5.000 3.733 2.714 5.038 0.038 19 0 "[    .    1    .    2    .    3 ]" 1 
        10 1  4 TYR HA   1  5 VAL H    3.500     . 3.900 3.504 2.771 3.609     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        11 1  4 TYR HA   1  7 ASP H    3.500     . 3.900 3.605 3.143 3.955 0.055  6 0 "[    .    1    .    2    .    3 ]" 1 
        12 1  4 TYR HA   1  7 ASP HB2  3.500     . 3.900 2.967 2.422 3.870     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        13 1  4 TYR HA   1  7 ASP HB3  3.500     . 3.900 3.946 3.660 4.111 0.211 19 0 "[    .    1    .    2    .    3 ]" 1 
        14 1  4 TYR QB   1  5 VAL H    2.800     . 4.100 2.921 2.044 4.054     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        15 1  4 TYR QB   1  5 VAL MG1  3.500     . 6.900 3.955 2.801 5.102     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        16 1  4 TYR QD   1  5 VAL HA   4.500     . 5.900 3.628 3.037 4.930     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        17 1  4 TYR QD   1  5 VAL MG1  3.500     . 6.900 3.793 2.158 4.846     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        18 1  4 TYR QD   1  8 LEU QD   3.500     . 7.300 2.629 1.790 3.270 0.010 25 0 "[    .    1    .    2    .    3 ]" 1 
        19 1  4 TYR QE   1  5 VAL MG1  4.500     . 8.000 4.673 2.443 5.880     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        20 1  4 TYR QE   1  8 LEU QD   3.500     . 7.300 2.841 2.076 3.909     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        21 1  5 VAL H    1  6 LEU H    2.800     . 3.100 2.702 2.095 2.867     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        22 1  5 VAL H    1  7 ASP H    4.500     . 5.000 4.199 3.417 4.374     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        23 1  5 VAL HA   1  6 LEU H    3.500     . 3.900 3.584 3.566 3.614     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        24 1  5 VAL HA   1  7 ASP H    4.500     . 5.000 4.332 4.041 4.462     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        25 1  5 VAL HA   1  8 LEU H    3.500     . 3.900 3.204 3.116 3.342     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        26 1  5 VAL HA   1  8 LEU HB2  2.800     . 3.100 2.302 2.165 2.495     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        27 1  5 VAL HA   1  8 LEU HB3  2.800     . 3.100 3.225 3.122 3.328 0.228 13 0 "[    .    1    .    2    .    3 ]" 1 
        28 1  5 VAL HA   1  8 LEU QD   2.800     . 5.500 3.080 2.956 3.352     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        29 1  5 VAL HA   1  8 LEU HG   4.500     . 5.000 5.119 5.039 5.194 0.194 25 0 "[    .    1    .    2    .    3 ]" 1 
        30 1  5 VAL HA   1  9 ILE H    4.500     . 5.000 4.067 3.806 4.285     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        31 1  5 VAL HB   1  6 LEU H    3.500     . 3.900 3.716 2.472 3.924 0.024 30 0 "[    .    1    .    2    .    3 ]" 1 
        32 1  5 VAL MG1  1  6 LEU H    3.500     . 5.900 3.067 1.918 3.891     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        33 1  5 VAL MG2  1  6 LEU H    3.500     . 5.900 2.753 1.926 3.998     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        34 1  5 VAL MG2  1  9 ILE H    3.500     . 5.900 4.552 3.847 5.219     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        35 1  6 LEU H    1  7 ASP H    2.800     . 3.100 2.717 2.628 2.810     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        36 1  6 LEU H    1  8 LEU H    4.500     . 5.000 4.039 3.920 4.377     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        37 1  6 LEU HA   1  7 ASP H    3.500     . 3.900 3.560 3.522 3.574     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        38 1  6 LEU HA   1  9 ILE H    3.500     . 3.900 3.401 3.278 3.638     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        39 1  6 LEU HA   1  9 ILE HB   2.800     . 3.100 2.915 2.695 3.126 0.026 31 0 "[    .    1    .    2    .    3 ]" 1 
        40 1  6 LEU HA   1  9 ILE HG12 4.500     . 5.000 3.443 2.631 4.153     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        41 1  6 LEU HA   1  9 ILE HG13 3.500     . 3.900 2.703 2.333 3.068     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        42 1  6 LEU HA   1 10 TYR H    4.500     . 5.000 5.219 5.083 5.372 0.372 16 0 "[    .    1    .    2    .    3 ]" 1 
        43 1  6 LEU QB   1  7 ASP H    3.500     . 4.900 2.629 2.390 3.508     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        44 1  6 LEU HG   1  7 ASP H    4.500     . 5.000 4.465 1.843 5.070 0.070  7 0 "[    .    1    .    2    .    3 ]" 1 
        45 1  7 ASP H    1  8 LEU H    2.800     . 3.100 2.569 2.439 2.657     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        46 1  7 ASP H    1  9 ILE H    4.500     . 5.000 4.015 3.743 4.089     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        47 1  7 ASP HA   1  8 LEU H    3.500     . 3.900 3.549 3.534 3.583     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        48 1  7 ASP HA   1  9 ILE H    4.500     . 5.000 4.310 4.182 4.433     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        49 1  7 ASP HA   1 10 TYR H    4.500     . 5.000 4.025 3.884 4.111     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        50 1  7 ASP HA   1 10 TYR HB2  4.500     . 5.000 5.124 5.074 5.174 0.174 23 0 "[    .    1    .    2    .    3 ]" 1 
        51 1  7 ASP HA   1 10 TYR HB3  4.500     . 5.000 3.712 3.650 3.770     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        52 1  7 ASP HB2  1  8 LEU H    2.800     . 3.100 3.147 2.728 3.421 0.321 19 0 "[    .    1    .    2    .    3 ]" 1 
        53 1  7 ASP HB3  1  8 LEU H    2.800     . 3.100 2.959 2.285 3.257 0.157 28 0 "[    .    1    .    2    .    3 ]" 1 
        54 1  8 LEU H    1  9 ILE H    2.800     . 3.100 2.587 2.480 2.784     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        55 1  8 LEU H    1 10 TYR H    4.500     . 5.000 4.249 4.176 4.358     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        56 1  8 LEU HA   1  9 ILE H    3.500     . 3.900 3.549 3.533 3.564     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        57 1  8 LEU HA   1 10 TYR H    4.500     . 5.000 3.733 3.665 3.778     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        58 1  8 LEU HA   1 11 SER HB2  3.500     . 3.900 3.864 3.561 4.037 0.137  1 0 "[    .    1    .    2    .    3 ]" 1 
        59 1  8 LEU HA   1 11 SER HB3  3.500     . 3.900 4.072 3.969 4.134 0.234  2 0 "[    .    1    .    2    .    3 ]" 1 
        60 1  8 LEU HB2  1  9 ILE H    2.800     . 3.100 3.277 3.169 3.364 0.264 25 0 "[    .    1    .    2    .    3 ]" 1 
        61 1  8 LEU HB3  1  9 ILE H    2.800     . 3.100 3.139 3.032 3.209 0.109 13 0 "[    .    1    .    2    .    3 ]" 1 
        62 1  8 LEU HG   1  9 ILE H    4.500     . 5.000 4.916 4.885 4.954     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        63 1  8 LEU HG   1 10 TYR QD   4.500     . 5.900 4.136 4.051 4.349     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        64 1  8 LEU HG   1 10 TYR QE   4.500     . 6.000 4.162 4.049 4.381     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        65 1  9 ILE H    1 10 TYR H    2.800     . 3.100 2.782 2.753 2.827     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        66 1  9 ILE H    1 11 SER H    4.500     . 5.000 4.512 4.430 4.606     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        67 1  9 ILE HA   1 10 TYR H    2.800     . 3.100 3.510 3.503 3.524 0.424 22 0 "[    .    1    .    2    .    3 ]" 1 
        68 1  9 ILE HA   1 11 SER H    4.500     . 5.000 4.150 3.997 4.352     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        69 1  9 ILE HA   1 12 LEU H    3.500     . 3.900 3.059 2.954 3.183     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        70 1  9 ILE HA   1 12 LEU HB2  2.800     . 3.100 2.340 1.857 3.172 0.072 28 0 "[    .    1    .    2    .    3 ]" 1 
        71 1  9 ILE HA   1 12 LEU HB3  2.800     . 3.100 2.918 1.950 3.369 0.269 18 0 "[    .    1    .    2    .    3 ]" 1 
        72 1  9 ILE HA   1 12 LEU QD   4.500     . 7.000 3.054 2.183 3.988     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        73 1  9 ILE HA   1 12 LEU HG   3.500     . 3.900 4.003 3.533 4.107 0.207 27 0 "[    .    1    .    2    .    3 ]" 1 
        74 1  9 ILE HA   1 13 HIS H    4.500     . 5.000 3.913 3.698 4.475     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        75 1  9 ILE HB   1 10 TYR H    2.800     . 3.100 2.878 2.789 2.946     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        76 1  9 ILE MD   1 10 TYR H    4.500     . 7.000 4.708 4.616 4.786     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        77 1  9 ILE HG13 1 10 TYR H    4.500     . 5.000 4.887 4.484 5.202 0.202  6 0 "[    .    1    .    2    .    3 ]" 1 
        78 1  9 ILE MG   1 10 TYR H    3.500     . 5.900 3.379 3.138 3.482     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        79 1  9 ILE MG   1 13 HIS H    3.500     . 5.900 3.480 3.227 4.004     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        80 1 10 TYR H    1 11 SER H    2.800     . 3.100 2.799 2.742 2.859     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        81 1 10 TYR H    1 12 LEU H    4.500     . 5.000 4.081 3.912 4.206     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        82 1 10 TYR HA   1 13 HIS H    3.500     . 3.900 3.597 3.454 3.727     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        83 1 10 TYR HA   1 13 HIS HB2  2.800     . 3.100 3.246 3.112 3.415 0.315  4 0 "[    .    1    .    2    .    3 ]" 1 
        84 1 10 TYR HA   1 13 HIS HB3  2.800     . 3.100 3.176 3.063 3.259 0.159 18 0 "[    .    1    .    2    .    3 ]" 1 
        85 1 10 TYR HB2  1 11 SER H    3.500     . 3.900 4.069 3.989 4.116 0.216 12 0 "[    .    1    .    2    .    3 ]" 1 
        86 1 10 TYR HB3  1 11 SER H    3.500     . 3.900 3.339 3.260 3.410     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        87 1 10 TYR QD   1 11 SER H    4.500     . 5.000 2.438 2.324 2.685     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        88 1 10 TYR QD   1 11 SER HA   4.500     . 6.000 3.894 3.663 3.988     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        89 1 11 SER H    1 12 LEU H    2.800     . 3.100 2.497 2.416 2.585     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        90 1 11 SER H    1 13 HIS H    4.500     . 5.000 3.974 3.848 4.110     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        91 1 11 SER HA   1 12 LEU H    3.500     . 3.900 3.549 3.498 3.577     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        92 1 11 SER HA   1 14 LYS H    3.500     . 3.900 3.375 3.191 3.656     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        93 1 11 SER HA   1 14 LYS QB   4.500     . 6.000 2.777 2.159 3.677     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        94 1 11 SER HA   1 14 LYS QD   4.500     . 6.000 4.176 2.680 5.240     .  0 0 "[    .    1    .    2    .    3 ]" 1 
        95 1 11 SER HA   1 14 LYS HG2  4.500     . 5.000 3.301 1.840 5.050 0.050 22 0 "[    .    1    .    2    .    3 ]" 1 
        96 1 11 SER HA   1 14 LYS HG3  4.500     . 5.000 3.785 2.688 5.072 0.072 21 0 "[    .    1    .    2    .    3 ]" 1 
        97 1 11 SER HA   1 15 GLN H    4.500     . 5.000 4.746 4.305 5.051 0.051  9 0 "[    .    1    .    2    .    3 ]" 1 
        98 1 11 SER HB2  1 12 LEU H    3.500     . 3.900 3.739 3.657 3.916 0.016  1 0 "[    .    1    .    2    .    3 ]" 1 
        99 1 11 SER HB3  1 12 LEU H    3.500     . 3.900 2.602 2.438 2.895     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       100 1 12 LEU H    1 13 HIS H    2.800     . 3.100 2.593 2.374 2.707     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       101 1 12 LEU H    1 14 LYS H    4.500     . 5.000 4.061 3.925 4.258     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       102 1 12 LEU HA   1 13 HIS H    2.800     . 3.100 3.531 3.435 3.556 0.456 15 0 "[    .    1    .    2    .    3 ]" 1 
       103 1 12 LEU HA   1 14 LYS H    4.500     . 5.000 4.397 4.123 4.781     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       104 1 12 LEU HA   1 15 GLN H    3.500     . 3.900 3.802 3.490 4.133 0.233  6 0 "[    .    1    .    2    .    3 ]" 1 
       105 1 12 LEU HA   1 15 GLN QG   4.500     . 6.000 3.869 2.294 5.477     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       106 1 12 LEU HB2  1 13 HIS H    3.500     . 3.900 3.319 2.798 4.012 0.112 27 0 "[    .    1    .    2    .    3 ]" 1 
       107 1 12 LEU HB3  1 13 HIS H    3.500     . 3.900 2.920 2.514 3.562     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       108 1 12 LEU QD   1 15 GLN QB   4.500     . 8.400 3.369 2.534 4.214     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       109 1 12 LEU HG   1 13 HIS H    4.500     . 5.000 4.633 3.055 5.161 0.161  3 0 "[    .    1    .    2    .    3 ]" 1 
       110 1 13 HIS H    1 14 LYS H    2.800     . 3.100 2.568 2.192 2.693     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       111 1 13 HIS H    1 15 GLN H    4.500     . 5.000 4.153 3.841 4.428     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       112 1 13 HIS HA   1 14 LYS H    3.500     . 3.900 3.556 3.498 3.605     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       113 1 13 HIS HA   1 15 GLN H    3.500     . 3.900 4.031 3.897 4.186 0.286 26 0 "[    .    1    .    2    .    3 ]" 1 
       114 1 13 HIS HA   1 16 ILE H    3.500     . 3.900 3.277 3.085 3.457     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       115 1 13 HIS HA   1 16 ILE HB   2.800     . 3.100 2.728 2.204 3.177 0.077  4 0 "[    .    1    .    2    .    3 ]" 1 
       116 1 13 HIS HA   1 16 ILE MD   3.500     . 5.900 2.224 1.733 4.600 0.067 27 0 "[    .    1    .    2    .    3 ]" 1 
       117 1 13 HIS HA   1 16 ILE HG12 4.500     . 5.000 4.575 3.220 5.051 0.051 18 0 "[    .    1    .    2    .    3 ]" 1 
       118 1 13 HIS HA   1 16 ILE HG13 3.500     . 3.900 3.965 3.226 4.455 0.555 17 3 "[    *-   1    . +  2    .    3 ]" 1 
       119 1 13 HIS HA   1 16 ILE MG   3.500     . 5.900 4.083 3.611 4.497     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       120 1 13 HIS HA   1 17 ASN H    4.500     . 5.000 4.140 3.745 4.652     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       121 1 13 HIS HB2  1 14 LYS H    3.500     . 3.900 3.664 3.531 3.811     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       122 1 13 HIS HB3  1 14 LYS H    3.500     . 3.900 2.749 2.491 3.102     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       123 1 13 HIS HD2  1 16 ILE MD   4.500     . 7.000 4.221 2.686 5.928     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       124 1 13 HIS HD2  1 16 ILE MG   3.500     . 5.900 4.660 3.574 4.922     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       125 1 13 HIS HE1  1 16 ILE MG   3.500     . 5.900 4.541 3.532 4.880     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       126 1 14 LYS H    1 15 GLN H    3.500     . 3.900 2.706 2.630 2.790     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       127 1 14 LYS H    1 16 ILE H    4.500     . 5.000 4.233 4.026 4.489     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       128 1 14 LYS HA   1 15 GLN H    2.800     . 3.100 3.522 3.487 3.552 0.452 10 0 "[    .    1    .    2    .    3 ]" 1 
       129 1 14 LYS HA   1 17 ASN H    3.500     . 3.900 3.314 3.061 3.572     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       130 1 14 LYS HA   1 17 ASN HB2  2.800     . 3.100 2.437 1.978 3.127 0.027  3 0 "[    .    1    .    2    .    3 ]" 1 
       131 1 14 LYS HA   1 17 ASN HB3  2.800     . 3.100 3.149 2.651 3.330 0.230 21 0 "[    .    1    .    2    .    3 ]" 1 
       132 1 14 LYS HA   1 18 ARG H    4.500     . 5.000 3.930 3.465 4.311     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       133 1 14 LYS QB   1 15 GLN H    2.800     . 4.100 2.953 2.547 3.600     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       134 1 14 LYS QD   1 15 GLN H    3.500     . 4.900 3.853 2.773 4.596     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       135 1 14 LYS QD   1 17 ASN H    4.500     . 5.900 4.930 3.681 5.375     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       136 1 14 LYS HG3  1 15 GLN H    4.500     . 5.000 4.020 1.934 5.222 0.222 31 0 "[    .    1    .    2    .    3 ]" 1 
       137 1 15 GLN H    1 16 ILE H    2.800     . 3.100 2.558 2.366 2.699     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       138 1 15 GLN H    1 17 ASN H    4.500     . 5.000 3.916 3.722 4.160     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       139 1 15 GLN HA   1 16 ILE H    2.800     . 3.100 3.527 3.421 3.561 0.461  1 0 "[    .    1    .    2    .    3 ]" 1 
       140 1 15 GLN HA   1 17 ASN H    4.500     . 5.000 4.418 4.021 4.873     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       141 1 15 GLN HA   1 18 ARG H    3.500     . 3.900 3.627 3.354 3.940 0.040  7 0 "[    .    1    .    2    .    3 ]" 1 
       142 1 15 GLN HA   1 18 ARG QB   2.800     . 4.100 3.045 2.560 3.739     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       143 1 15 GLN HA   1 18 ARG QD   4.500     . 6.000 3.709 1.777 5.436 0.023 29 0 "[    .    1    .    2    .    3 ]" 1 
       144 1 15 GLN HA   1 18 ARG HG2  4.500     . 5.000 3.944 1.871 5.083 0.083 17 0 "[    .    1    .    2    .    3 ]" 1 
       145 1 15 GLN HA   1 18 ARG HG3  4.500     . 5.000 3.790 2.293 5.277 0.277  1 0 "[    .    1    .    2    .    3 ]" 1 
       146 1 15 GLN HA   1 19 GLY H    4.500     . 5.000 4.679 4.306 5.069 0.069 16 0 "[    .    1    .    2    .    3 ]" 1 
       147 1 15 GLN QB   1 16 ILE H    2.800     . 4.100 2.726 2.314 3.687     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       148 1 15 GLN QG   1 16 ILE H    3.500     . 4.900 3.628 1.867 4.402     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       149 1 16 ILE H    1 17 ASN H    2.800     . 3.100 2.451 2.108 2.632     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       150 1 16 ILE HA   1 17 ASN H    2.800     . 3.100 3.528 3.473 3.561 0.461 19 0 "[    .    1    .    2    .    3 ]" 1 
       151 1 16 ILE HA   1 18 ARG H    4.500     . 5.000 4.435 4.217 4.891     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       152 1 16 ILE HA   1 19 GLY H    3.500     . 3.900 3.747 3.571 3.980 0.080  7 0 "[    .    1    .    2    .    3 ]" 1 
       153 1 16 ILE HA   1 20 LEU H    4.500     . 5.000 4.195 3.928 4.600     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       154 1 16 ILE HB   1 17 ASN H    2.800     . 3.100 2.648 2.337 2.955     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       155 1 16 ILE MD   1 17 ASN H    4.500     . 7.000 4.209 3.892 4.726     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       156 1 16 ILE HG13 1 17 ASN H    4.500     . 5.000 4.447 4.214 5.010 0.010 24 0 "[    .    1    .    2    .    3 ]" 1 
       157 1 16 ILE MG   1 17 ASN H    3.500     . 5.900 3.417 3.242 3.735     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       158 1 17 ASN H    1 18 ARG H    3.500     . 3.900 2.642 2.538 2.737     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       159 1 17 ASN HA   1 18 ARG H    3.500     . 3.900 3.572 3.551 3.604     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       160 1 17 ASN HA   1 19 GLY H    4.500     . 5.000 4.459 4.078 4.808     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       161 1 17 ASN HA   1 20 LEU H    4.500     . 5.000 3.282 3.061 3.526     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       162 1 17 ASN HA   1 20 LEU HB2  3.500     . 3.900 3.175 2.826 3.492     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       163 1 17 ASN HA   1 20 LEU HB3  3.500     . 3.900 2.003 1.802 2.547     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       164 1 17 ASN HA   1 20 LEU MD1  3.500     . 5.900 4.584 4.113 4.806     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       165 1 17 ASN HA   1 20 LEU MD2  3.500     . 5.900 2.727 2.373 4.773     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       166 1 17 ASN HA   1 20 LEU HG   3.500     . 3.900 4.015 3.936 4.160 0.260 23 0 "[    .    1    .    2    .    3 ]" 1 
       167 1 17 ASN HA   1 21 LYS H    4.500     . 5.000 3.622 3.348 4.025     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       168 1 17 ASN HB2  1 18 ARG H    2.800     . 3.100 3.216 2.962 3.481 0.381 27 0 "[    .    1    .    2    .    3 ]" 1 
       169 1 17 ASN HB3  1 18 ARG H    2.800     . 3.100 2.871 2.354 3.148 0.048 25 0 "[    .    1    .    2    .    3 ]" 1 
       170 1 18 ARG H    1 19 GLY H    2.800     . 3.100 2.829 2.685 2.930     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       171 1 18 ARG H    1 20 LEU H    4.500     . 5.000 4.011 3.776 4.289     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       172 1 18 ARG HA   1 19 GLY H    3.500     . 3.900 3.579 3.523 3.597     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       173 1 18 ARG HA   1 20 LEU H    4.500     . 5.000 4.546 4.132 4.760     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       174 1 18 ARG HA   1 21 LYS H    3.500     . 3.900 3.831 3.513 4.070 0.170  7 0 "[    .    1    .    2    .    3 ]" 1 
       175 1 18 ARG HA   1 21 LYS QB   2.800     . 4.100 3.328 2.624 4.301 0.201 21 0 "[    .    1    .    2    .    3 ]" 1 
       176 1 18 ARG HA   1 21 LYS QD   3.500     . 4.900 3.504 1.813 4.340     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       177 1 18 ARG HA   1 22 LYS H    4.500     . 4.900 4.546 4.013 4.914 0.014  3 0 "[    .    1    .    2    .    3 ]" 1 
       178 1 18 ARG QB   1 19 GLY H    2.800     . 4.100 2.693 2.273 3.569     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       179 1 18 ARG HG2  1 19 GLY H    4.500     . 5.000 4.124 2.051 5.059 0.059 12 0 "[    .    1    .    2    .    3 ]" 1 
       180 1 19 GLY H    1 20 LEU H    2.800     . 4.100 2.466 2.203 2.644     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       181 1 19 GLY H    1 21 LYS H    4.500     . 5.000 4.122 3.919 4.371     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       182 1 19 GLY QA   1 20 LEU H    2.800     . 4.100 2.777 2.698 2.934     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       183 1 19 GLY QA   1 21 LYS H    4.500     . 5.900 4.093 3.856 4.321     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       184 1 19 GLY QA   1 22 LYS H    3.500     . 4.900 3.438 3.242 3.802     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       185 1 19 GLY QA   1 22 LYS QB   3.500     . 5.900 2.988 2.218 4.044     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       186 1 20 LEU H    1 21 LYS H    2.800     . 3.100 2.674 2.363 2.886     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       187 1 20 LEU H    1 22 LYS H    4.500     . 5.000 4.189 3.853 4.703     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       188 1 20 LEU H    1 23 ILE QG   4.500     . 5.000 4.952 4.397 5.345 0.345 22 0 "[    .    1    .    2    .    3 ]" 1 
       189 1 20 LEU HA   1 21 LYS H    2.800     . 3.100 3.554 3.513 3.578 0.478 15 0 "[    .    1    .    2    .    3 ]" 1 
       190 1 20 LEU HA   1 22 LYS H    4.500     . 5.000 4.455 4.122 4.973     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       191 1 20 LEU HA   1 23 ILE H    3.500     . 3.900 3.592 3.386 3.794     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       192 1 20 LEU HA   1 23 ILE HB   2.800     . 3.100 2.965 2.622 3.294 0.194 15 0 "[    .    1    .    2    .    3 ]" 1 
       193 1 20 LEU HA   1 23 ILE QG   3.500     . 3.900 3.405 2.768 3.982 0.082 22 0 "[    .    1    .    2    .    3 ]" 1 
       194 1 20 LEU HA   1 24 VAL H    4.500     . 5.000 4.537 4.188 4.998     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       195 1 20 LEU HB3  1 21 LYS H    2.800     . 3.100 2.545 2.199 2.770     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       196 1 20 LEU MD1  1 21 LYS H    4.500     . 7.000 4.230 2.601 4.523     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       197 1 20 LEU MD2  1 21 LYS H    4.500     . 7.000 4.179 3.955 4.423     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       198 1 20 LEU MD2  1 21 LYS HA   4.500     . 7.000 4.736 4.438 4.844     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       199 1 20 LEU HG   1 21 LYS HA   4.500     . 5.000 3.553 3.248 5.412 0.412 21 0 "[    .    1    .    2    .    3 ]" 1 
       200 1 21 LYS H    1 22 LYS H    2.800     . 3.100 2.705 2.558 2.873     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       201 1 21 LYS H    1 23 ILE H    4.500     . 5.000 4.144 3.913 4.397     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       202 1 21 LYS HA   1 22 LYS H    2.800     . 3.100 3.547 3.480 3.588 0.488  8 0 "[    .    1    .    2    .    3 ]" 1 
       203 1 21 LYS HA   1 23 ILE H    4.500     . 5.000 4.228 3.987 4.465     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       204 1 21 LYS HA   1 24 VAL H    3.500     . 3.900 3.504 3.143 3.620     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       205 1 21 LYS HA   1 24 VAL HB   2.800     . 3.100 2.894 2.545 3.239 0.139  8 0 "[    .    1    .    2    .    3 ]" 1 
       206 1 21 LYS HA   1 24 VAL MG1  3.500     . 5.900 4.232 3.925 4.535     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       207 1 21 LYS HA   1 24 VAL MG2  3.500     . 5.900 3.480 2.879 3.996     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       208 1 21 LYS HA   1 25 LEU H    3.500     . 3.900 3.950 3.849 4.053 0.153  3 0 "[    .    1    .    2    .    3 ]" 1 
       209 1 21 LYS QB   1 22 LYS H    2.800     . 4.100 2.846 2.090 3.639     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       210 1 21 LYS QD   1 22 LYS H    3.500     . 4.900 3.778 2.544 4.688     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       211 1 21 LYS QG   1 22 LYS H    3.500     . 3.900 3.287 1.882 4.505 0.605 13 2 "[    .   -1  + .    2    .    3 ]" 1 
       212 1 22 LYS H    1 24 VAL H    4.500     . 5.000 4.258 3.995 4.587     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       213 1 22 LYS HA   1 23 ILE H    2.800     . 3.100 3.529 3.479 3.556 0.456 22 0 "[    .    1    .    2    .    3 ]" 1 
       214 1 22 LYS HA   1 25 LEU HB2  3.500     . 3.900 3.247 2.408 3.993 0.093 13 0 "[    .    1    .    2    .    3 ]" 1 
       215 1 22 LYS HA   1 25 LEU HB3  3.500     . 3.900 2.506 1.936 4.167 0.267 11 0 "[    .    1    .    2    .    3 ]" 1 
       216 1 22 LYS HA   1 25 LEU HG   3.500     . 3.900 4.070 3.902 4.160 0.260 11 0 "[    .    1    .    2    .    3 ]" 1 
       217 1 22 LYS HA   1 26 GLY H    3.500     . 3.900 3.623 2.938 4.041 0.141 31 0 "[    .    1    .    2    .    3 ]" 1 
       218 1 22 LYS QB   1 23 ILE H    2.800     . 4.100 2.945 2.458 3.640     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       219 1 22 LYS QD   1 23 ILE H    2.800     . 4.100 3.220 2.909 3.575     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       220 1 22 LYS QD   1 23 ILE HA   2.800     . 4.100 3.114 2.683 3.521     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       221 1 22 LYS HG2  1 23 ILE H    4.500     . 5.000 4.114 3.654 4.762     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       222 1 22 LYS HG3  1 23 ILE H    4.500     . 5.000 3.956 1.938 5.142 0.142 13 0 "[    .    1    .    2    .    3 ]" 1 
       223 1 23 ILE H    1 24 VAL H    2.800     . 3.100 2.593 2.401 2.766     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       224 1 23 ILE H    1 25 LEU H    4.500     . 5.000 3.850 3.687 4.106     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       225 1 23 ILE HA   1 24 VAL H    2.800     . 3.100 3.547 3.490 3.568 0.468  1 0 "[    .    1    .    2    .    3 ]" 1 
       226 1 23 ILE HA   1 25 LEU H    4.500     . 5.000 4.446 4.232 4.786     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       227 1 23 ILE HA   1 26 GLY H    3.500     . 3.900 3.793 3.494 4.148 0.248 28 0 "[    .    1    .    2    .    3 ]" 1 
       228 1 23 ILE HA   1 27 TRP H    4.500     . 5.000 3.896 2.720 5.038 0.038 12 0 "[    .    1    .    2    .    3 ]" 1 
       229 1 23 ILE HB   1 24 VAL H    2.800     . 3.100 2.568 2.401 2.941     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       230 1 23 ILE MD   1 24 VAL H    3.500     . 5.900 4.412 4.093 4.627     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       231 1 23 ILE QG   1 24 VAL H    4.500     . 5.000 4.088 3.937 4.215     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       232 1 24 VAL H    1 25 LEU H    2.800     . 3.100 2.434 2.070 2.641     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       233 1 24 VAL HA   1 25 LEU H    2.800     . 3.100 3.520 3.487 3.559 0.459 20 0 "[    .    1    .    2    .    3 ]" 1 
       234 1 24 VAL HA   1 26 GLY H    4.500     . 5.000 4.557 4.171 5.134 0.134 15 0 "[    .    1    .    2    .    3 ]" 1 
       235 1 24 VAL HA   1 27 TRP H    4.500     . 5.000 4.339 3.484 5.117 0.117 23 0 "[    .    1    .    2    .    3 ]" 1 
       236 1 24 VAL HB   1 25 LEU H    2.800     . 3.100 2.711 2.428 2.924     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       237 1 24 VAL MG1  1 25 LEU H    3.500     . 5.900 3.526 3.293 3.745     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       238 1 24 VAL MG2  1 25 LEU H    3.500     . 5.900 3.888 3.743 3.982     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       239 1 25 LEU H    1 26 GLY H    2.800     . 3.100 2.625 2.348 2.894     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       240 1 25 LEU HA   1 26 GLY H    3.500     . 3.900 3.576 3.546 3.599     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       241 1 25 LEU HB2  1 26 GLY H    3.500     . 3.900 3.677 2.329 4.060 0.160 12 0 "[    .    1    .    2    .    3 ]" 1 
       242 1 25 LEU HB3  1 26 GLY H    3.500     . 3.900 2.707 1.984 3.635     .  0 0 "[    .    1    .    2    .    3 ]" 1 
       243 1 25 LEU HG   1 26 GLY H    3.500     . 3.900 3.614 3.074 4.296 0.396 31 0 "[    .    1    .    2    .    3 ]" 1 
       244 1 26 GLY QA   1 27 TRP H    3.500     . 4.900 2.531 2.255 2.920     .  0 0 "[    .    1    .    2    .    3 ]" 1 
    stop_

save_



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