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
306414 1p7a 5851 cing 4-filtered-FRED Wattos check violation distance


data_1p7a


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              540
    _Distance_constraint_stats_list.Viol_count                    1229
    _Distance_constraint_stats_list.Viol_total                    2096.468
    _Distance_constraint_stats_list.Viol_max                      0.811
    _Distance_constraint_stats_list.Viol_rms                      0.0445
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0097
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0853
    _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  3 THR  1.759 0.411  1 0 "[    .    1    .    2]" 
       1  4 ARG  1.784 0.411  1 0 "[    .    1    .    2]" 
       1  5 GLY  0.206 0.105  9 0 "[    .    1    .    2]" 
       1  6 SER  5.314 0.498  4 0 "[    .    1    .    2]" 
       1  7 THR  2.589 0.373 16 0 "[    .    1    .    2]" 
       1  8 GLY  2.112 0.310 14 0 "[    .    1    .    2]" 
       1  9 ILE  4.770 0.262  4 0 "[    .    1    .    2]" 
       1 10 LYS  2.563 0.698 14 1 "[    .    1   +.    2]" 
       1 11 PRO  1.907 0.540 14 1 "[    .    1   +.    2]" 
       1 12 PHE  3.541 0.158  6 0 "[    .    1    .    2]" 
       1 13 GLN 16.471 0.660  4 6 "[*  +.    1* * .  * -]" 
       1 14 CYS  8.318 0.359 17 0 "[    .    1    .    2]" 
       1 15 PRO  0.926 0.139 17 0 "[    .    1    .    2]" 
       1 16 ASP  4.053 0.158  2 0 "[    .    1    .    2]" 
       1 17 CYS  4.384 0.442  9 0 "[    .    1    .    2]" 
       1 18 ASP  3.642 0.442  9 0 "[    .    1    .    2]" 
       1 19 ARG 13.986 0.625 10 2 "[    .    + -  .    2]" 
       1 20 SER  6.639 0.625 10 2 "[    .    + -  .    2]" 
       1 21 PHE 10.147 0.315 19 0 "[    .    1    .    2]" 
       1 22 SER  2.050 0.209 15 0 "[    .    1    .    2]" 
       1 23 ARG 13.072 0.540 11 4 "[    .    1+* *.  - 2]" 
       1 24 SER  0.424 0.064 17 0 "[    .    1    .    2]" 
       1 25 ASP  9.748 0.578 15 1 "[    .    1    +    2]" 
       1 26 HIS  6.619 0.578 15 1 "[    .    1    +    2]" 
       1 27 LEU  1.034 0.075  9 0 "[    .    1    .    2]" 
       1 28 ALA  2.661 0.084 20 0 "[    .    1    .    2]" 
       1 29 LEU  2.112 0.118  9 0 "[    .    1    .    2]" 
       1 30 HIS  1.295 0.154  3 0 "[    .    1    .    2]" 
       1 31 ARG  9.252 0.198 10 0 "[    .    1    .    2]" 
       1 32 LYS  2.345 0.124  5 0 "[    .    1    .    2]" 
       1 33 ARG  4.224 0.431  2 0 "[    .    1    .    2]" 
       1 34 HIS  3.907 0.117 16 0 "[    .    1    .    2]" 
       1 35 MET  3.167 0.504 19 1 "[    .    1    .   +2]" 
       1 36 LEU  2.788 0.811 11 1 "[    .    1+   .    2]" 
       1 37 VAL  1.446 0.140  2 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  3 THR H    1  3 THR HA   2.900 . 3.900 2.630 2.259 2.949     .  0 0 "[    .    1    .    2]" 1 
         2 1  3 THR H    1  3 THR HB   3.000 . 4.100 3.468 2.762 3.931     .  0 0 "[    .    1    .    2]" 1 
         3 1  3 THR H    1 18 ASP HA   2.400 . 6.000 4.947 2.899 6.111 0.111 15 0 "[    .    1    .    2]" 1 
         4 1  3 THR HA   1  3 THR HB   2.900 . 4.000 2.867 2.379 3.019     .  0 0 "[    .    1    .    2]" 1 
         5 1  3 THR HA   1  4 ARG H    2.300 . 3.000 2.756 2.136 3.411 0.411  1 0 "[    .    1    .    2]" 1 
         6 1  3 THR HB   1  4 ARG H    3.300 . 4.700 3.567 1.837 4.372 0.063 13 0 "[    .    1    .    2]" 1 
         7 1  4 ARG H    1  4 ARG HA   2.300 . 3.000 2.648 2.259 2.932     .  0 0 "[    .    1    .    2]" 1 
         8 1  4 ARG H    1  4 ARG HB2  3.700 . 5.400 3.078 2.174 3.775     .  0 0 "[    .    1    .    2]" 1 
         9 1  4 ARG H    1  4 ARG HB3  3.100 . 4.300 3.623 2.534 4.150     .  0 0 "[    .    1    .    2]" 1 
        10 1  4 ARG H    1  4 ARG QD   4.200 . 6.400 4.176 2.618 5.215     .  0 0 "[    .    1    .    2]" 1 
        11 1  4 ARG H    1  4 ARG QG   2.700 . 3.600 2.912 1.856 3.692 0.092 18 0 "[    .    1    .    2]" 1 
        12 1  4 ARG HA   1  4 ARG HB2  3.000 . 4.100 2.868 2.426 3.026     .  0 0 "[    .    1    .    2]" 1 
        13 1  4 ARG HA   1  4 ARG HB3  2.600 . 3.400 2.579 2.266 2.901     .  0 0 "[    .    1    .    2]" 1 
        14 1  4 ARG HA   1  4 ARG HE   6.500 . 7.000 4.519 3.012 5.494     .  0 0 "[    .    1    .    2]" 1 
        15 1  4 ARG HA   1  4 ARG QG   2.800 . 3.800 2.547 2.019 3.382     .  0 0 "[    .    1    .    2]" 1 
        16 1  4 ARG HB2  1  4 ARG QD   2.800 . 3.800 2.721 1.940 3.450     .  0 0 "[    .    1    .    2]" 1 
        17 1  4 ARG HB2  1  4 ARG HE   3.600 . 5.300 3.561 1.745 4.774 0.155 20 0 "[    .    1    .    2]" 1 
        18 1  4 ARG HB3  1  4 ARG QD   2.900 . 3.900 2.667 2.026 3.574     .  0 0 "[    .    1    .    2]" 1 
        19 1  4 ARG HB3  1  4 ARG QG   2.300 . 3.000 2.325 2.132 2.521     .  0 0 "[    .    1    .    2]" 1 
        20 1  4 ARG HE   1  4 ARG QG   3.300 . 4.700 2.580 2.099 3.266     .  0 0 "[    .    1    .    2]" 1 
        21 1  5 GLY H    1  5 GLY QA   2.300 . 3.000 2.334 2.196 2.499     .  0 0 "[    .    1    .    2]" 1 
        22 1  5 GLY QA   1  6 SER H    2.200 . 2.800 2.461 2.129 2.862 0.062 20 0 "[    .    1    .    2]" 1 
        23 1  5 GLY QA   1  7 THR H    3.800 . 5.600 4.309 3.316 5.705 0.105  9 0 "[    .    1    .    2]" 1 
        24 1  6 SER H    1  6 SER HA   2.500 . 3.300 2.771 2.215 2.945     .  0 0 "[    .    1    .    2]" 1 
        25 1  6 SER H    1  6 SER HB2  2.800 . 3.800 3.235 2.766 3.824 0.024 16 0 "[    .    1    .    2]" 1 
        26 1  6 SER H    1  6 SER HB3  2.600 . 3.500 3.573 2.090 3.998 0.498  4 0 "[    .    1    .    2]" 1 
        27 1  6 SER HA   1  6 SER HB2  2.900 . 4.000 2.885 2.248 3.026     .  0 0 "[    .    1    .    2]" 1 
        28 1  6 SER HA   1  6 SER HB3  3.000 . 4.100 2.333 2.237 2.881     .  0 0 "[    .    1    .    2]" 1 
        29 1  6 SER HA   1  7 THR H    2.400 . 3.100 2.713 2.147 3.473 0.373 16 0 "[    .    1    .    2]" 1 
        30 1  6 SER HB2  1  7 THR H    3.200 . 4.500 3.685 1.757 4.367 0.143  9 0 "[    .    1    .    2]" 1 
        31 1  6 SER HB3  1  7 THR H    3.200 . 4.500 4.054 2.351 4.598 0.098  1 0 "[    .    1    .    2]" 1 
        32 1  7 THR H    1  7 THR HA   2.500 . 3.300 2.910 2.857 2.947     .  0 0 "[    .    1    .    2]" 1 
        33 1  7 THR H    1  7 THR HB   2.600 . 6.000 3.497 3.337 3.747     .  0 0 "[    .    1    .    2]" 1 
        34 1  7 THR HA   1  8 GLY H    2.300 . 2.900 2.311 2.136 2.428     .  0 0 "[    .    1    .    2]" 1 
        35 1  7 THR HA   1  9 ILE H    3.500 . 5.000 4.602 3.642 5.262 0.262  4 0 "[    .    1    .    2]" 1 
        36 1  7 THR HB   1  8 GLY H    2.900 . 6.000 4.129 3.929 4.237     .  0 0 "[    .    1    .    2]" 1 
        37 1  8 GLY H    1  8 GLY QA   2.100 . 2.700 2.250 2.176 2.415     .  0 0 "[    .    1    .    2]" 1 
        38 1  8 GLY H    1  9 ILE H    2.600 . 3.500 2.935 1.910 3.587 0.087 18 0 "[    .    1    .    2]" 1 
        39 1  8 GLY H    1 18 ASP HA   3.600 . 5.200 4.850 3.522 5.510 0.310 14 0 "[    .    1    .    2]" 1 
        40 1  8 GLY QA   1  9 ILE H    2.000 . 2.500 2.468 2.159 2.711 0.211  7 0 "[    .    1    .    2]" 1 
        41 1  8 GLY QA   1  9 ILE HB   3.100 . 6.000 4.903 4.704 5.073     .  0 0 "[    .    1    .    2]" 1 
        42 1  8 GLY QA   1  9 ILE HG13 3.400 . 4.900 3.701 3.056 4.151     .  0 0 "[    .    1    .    2]" 1 
        43 1  9 ILE H    1  9 ILE HA   2.400 . 3.100 2.892 2.866 2.910     .  0 0 "[    .    1    .    2]" 1 
        44 1  9 ILE H    1  9 ILE HB   2.100 . 2.700 2.771 2.713 2.825 0.125 12 0 "[    .    1    .    2]" 1 
        45 1  9 ILE H    1  9 ILE HG12 2.600 . 3.400 3.244 3.071 3.402 0.002  3 0 "[    .    1    .    2]" 1 
        46 1  9 ILE H    1  9 ILE HG13 2.500 . 3.300 1.774 1.677 1.939 0.023 12 0 "[    .    1    .    2]" 1 
        47 1  9 ILE H    1 13 GLN HE21 2.900 . 6.000 4.384 2.148 5.691     .  0 0 "[    .    1    .    2]" 1 
        48 1  9 ILE H    1 18 ASP HA   2.700 . 6.000 5.957 5.642 6.152 0.152  9 0 "[    .    1    .    2]" 1 
        49 1  9 ILE H    1 20 SER HB3  3.100 . 4.300 3.210 2.137 3.787     .  0 0 "[    .    1    .    2]" 1 
        50 1  9 ILE HA   1  9 ILE HB   2.200 . 6.000 2.997 2.983 3.012     .  0 0 "[    .    1    .    2]" 1 
        51 1  9 ILE HA   1  9 ILE HG13 2.700 . 3.600 3.102 2.988 3.243     .  0 0 "[    .    1    .    2]" 1 
        52 1  9 ILE HA   1 10 LYS H    2.000 . 2.500 2.411 2.311 2.532 0.032 14 0 "[    .    1    .    2]" 1 
        53 1  9 ILE HB   1  9 ILE HG12 2.500 . 3.300 2.999 2.966 3.029     .  0 0 "[    .    1    .    2]" 1 
        54 1  9 ILE HB   1  9 ILE HG13 2.800 . 3.700 2.598 2.484 2.690     .  0 0 "[    .    1    .    2]" 1 
        55 1  9 ILE HB   1 10 LYS H    2.900 . 3.900 3.321 2.997 3.509     .  0 0 "[    .    1    .    2]" 1 
        56 1  9 ILE HG13 1 10 LYS H    3.500 . 5.000 4.898 4.798 4.989     .  0 0 "[    .    1    .    2]" 1 
        57 1 10 LYS H    1 10 LYS HA   2.600 . 3.500 2.259 2.218 2.276     .  0 0 "[    .    1    .    2]" 1 
        58 1 10 LYS H    1 10 LYS HB2  2.100 . 6.000 3.246 3.109 3.477     .  0 0 "[    .    1    .    2]" 1 
        59 1 10 LYS H    1 10 LYS HD2  3.900 . 5.800 4.275 3.478 4.826     .  0 0 "[    .    1    .    2]" 1 
        60 1 10 LYS H    1 10 LYS HE3  3.500 . 5.000 4.433 3.237 5.698 0.698 14 1 "[    .    1   +.    2]" 1 
        61 1 10 LYS H    1 10 LYS HG2  4.000 . 6.000 4.645 4.309 4.859     .  0 0 "[    .    1    .    2]" 1 
        62 1 10 LYS H    1 10 LYS HG3  4.000 . 6.100 3.270 2.776 3.581     .  0 0 "[    .    1    .    2]" 1 
        63 1 10 LYS H    1 11 PRO HD2  2.900 . 6.000 4.552 4.452 4.864     .  0 0 "[    .    1    .    2]" 1 
        64 1 10 LYS H    1 11 PRO HD3  3.300 . 4.600 4.336 3.784 4.483     .  0 0 "[    .    1    .    2]" 1 
        65 1 10 LYS H    1 20 SER HB3  3.200 . 4.500 4.318 4.021 4.520 0.020 14 0 "[    .    1    .    2]" 1 
        66 1 10 LYS HA   1 10 LYS QB   2.200 . 2.800 2.503 2.408 2.529     .  0 0 "[    .    1    .    2]" 1 
        67 1 10 LYS HA   1 10 LYS HD2  3.400 . 4.800 4.102 3.707 4.373     .  0 0 "[    .    1    .    2]" 1 
        68 1 10 LYS HA   1 10 LYS HG2  2.600 . 3.400 3.066 2.842 3.161     .  0 0 "[    .    1    .    2]" 1 
        69 1 10 LYS HA   1 10 LYS HG3  2.400 . 3.100 2.111 1.993 2.402     .  0 0 "[    .    1    .    2]" 1 
        70 1 10 LYS HA   1 11 PRO HD2  2.100 . 2.600 2.315 2.208 2.677 0.077 14 0 "[    .    1    .    2]" 1 
        71 1 10 LYS HA   1 11 PRO HD3  2.100 . 2.700 2.353 1.774 2.478     .  0 0 "[    .    1    .    2]" 1 
        72 1 10 LYS HA   1 11 PRO HG2  2.900 . 6.000 4.429 4.366 4.547     .  0 0 "[    .    1    .    2]" 1 
        73 1 10 LYS HA   1 11 PRO HG3  2.900 . 6.000 4.456 3.931 4.537     .  0 0 "[    .    1    .    2]" 1 
        74 1 10 LYS HA   1 22 SER HA   3.200 . 4.400 4.383 4.111 4.509 0.109  4 0 "[    .    1    .    2]" 1 
        75 1 10 LYS HB2  1 10 LYS HE2  3.000 . 4.100 3.195 2.341 3.776     .  0 0 "[    .    1    .    2]" 1 
        76 1 10 LYS QB   1 10 LYS HG3  2.300 . 3.000 2.522 2.488 2.529     .  0 0 "[    .    1    .    2]" 1 
        77 1 10 LYS QB   1 11 PRO HD3  2.400 . 6.000 3.794 3.412 3.969     .  0 0 "[    .    1    .    2]" 1 
        78 1 10 LYS QB   1 20 SER HA   3.300 . 4.700 2.960 2.658 3.424     .  0 0 "[    .    1    .    2]" 1 
        79 1 10 LYS QB   1 21 PHE H    2.600 . 3.400 2.504 2.380 2.642     .  0 0 "[    .    1    .    2]" 1 
        80 1 10 LYS HB2  1 20 SER HB3  3.100 . 4.300 2.455 2.020 3.276     .  0 0 "[    .    1    .    2]" 1 
        81 1 10 LYS HB3  1 10 LYS HG2  2.400 . 3.100 2.218 2.208 2.263     .  0 0 "[    .    1    .    2]" 1 
        82 1 10 LYS HB3  1 11 PRO HD2  2.800 . 3.800 2.592 2.226 2.788     .  0 0 "[    .    1    .    2]" 1 
        83 1 10 LYS HB3  1 12 PHE H    2.800 . 3.800 2.452 2.289 2.692     .  0 0 "[    .    1    .    2]" 1 
        84 1 10 LYS HB3  1 22 SER HA   2.700 . 3.600 3.294 2.375 3.651 0.051  4 0 "[    .    1    .    2]" 1 
        85 1 10 LYS HD2  1 10 LYS QE   2.500 . 3.300 2.235 2.137 2.488     .  0 0 "[    .    1    .    2]" 1 
        86 1 10 LYS HD2  1 22 SER HB2  3.200 . 4.500 3.305 2.674 4.339     .  0 0 "[    .    1    .    2]" 1 
        87 1 10 LYS HD3  1 10 LYS QE   2.600 . 3.500 2.433 2.195 2.531     .  0 0 "[    .    1    .    2]" 1 
        88 1 10 LYS HD3  1 22 SER H    3.300 . 4.600 3.495 2.783 4.153     .  0 0 "[    .    1    .    2]" 1 
        89 1 10 LYS QE   1 10 LYS HG2  2.500 . 3.300 2.962 2.259 3.400 0.100 13 0 "[    .    1    .    2]" 1 
        90 1 10 LYS QE   1 10 LYS HG3  2.500 . 3.300 2.185 1.946 2.549     .  0 0 "[    .    1    .    2]" 1 
        91 1 10 LYS HG2  1 11 PRO HD2  3.300 . 4.600 2.685 2.405 3.257     .  0 0 "[    .    1    .    2]" 1 
        92 1 10 LYS HG2  1 11 PRO HD3  3.300 . 4.700 4.127 3.645 4.599     .  0 0 "[    .    1    .    2]" 1 
        93 1 10 LYS HG2  1 20 SER HB3  3.000 . 6.000 5.117 4.690 5.607     .  0 0 "[    .    1    .    2]" 1 
        94 1 10 LYS HG3  1 20 SER HB3  3.200 . 6.000 4.894 4.434 5.284     .  0 0 "[    .    1    .    2]" 1 
        95 1 10 LYS HG3  1 22 SER H    3.600 . 5.200 4.964 4.634 5.204 0.004 18 0 "[    .    1    .    2]" 1 
        96 1 10 LYS HG3  1 22 SER HA   3.000 . 4.100 3.815 3.434 4.309 0.209 15 0 "[    .    1    .    2]" 1 
        97 1 11 PRO HA   1 11 PRO HB3  2.400 . 3.100 2.281 2.257 2.306     .  0 0 "[    .    1    .    2]" 1 
        98 1 11 PRO HA   1 11 PRO HD3  3.100 . 4.300 3.475 3.349 3.728     .  0 0 "[    .    1    .    2]" 1 
        99 1 11 PRO HA   1 11 PRO HG2  2.800 . 3.800 3.856 3.832 3.983 0.183  6 0 "[    .    1    .    2]" 1 
       100 1 11 PRO HA   1 12 PHE H    2.200 . 6.000 3.461 3.397 3.513     .  0 0 "[    .    1    .    2]" 1 
       101 1 11 PRO HA   1 12 PHE HA   3.000 . 6.000 4.535 4.504 4.562     .  0 0 "[    .    1    .    2]" 1 
       102 1 11 PRO HA   1 12 PHE QB   3.300 . 6.000 5.407 5.348 5.450     .  0 0 "[    .    1    .    2]" 1 
       103 1 11 PRO HB2  1 11 PRO HD2  2.600 . 6.000 3.991 2.974 4.074     .  0 0 "[    .    1    .    2]" 1 
       104 1 11 PRO HB2  1 11 PRO HD3  3.100 . 4.300 3.884 3.855 3.992     .  0 0 "[    .    1    .    2]" 1 
       105 1 11 PRO HB2  1 11 PRO HG3  2.500 . 3.300 2.685 2.654 2.988     .  0 0 "[    .    1    .    2]" 1 
       106 1 11 PRO HB2  1 12 PHE H    3.000 . 4.200 3.503 2.769 3.748     .  0 0 "[    .    1    .    2]" 1 
       107 1 11 PRO HB3  1 11 PRO HD2  2.600 . 6.000 3.877 3.856 3.983     .  0 0 "[    .    1    .    2]" 1 
       108 1 11 PRO HB3  1 11 PRO HD3  2.600 . 3.500 3.004 2.883 4.040 0.540 14 1 "[    .    1   +.    2]" 1 
       109 1 11 PRO HB3  1 12 PHE H    2.900 . 6.000 4.310 4.062 4.412     .  0 0 "[    .    1    .    2]" 1 
       110 1 11 PRO HD2  1 11 PRO HG2  2.700 . 3.600 2.314 2.225 2.331     .  0 0 "[    .    1    .    2]" 1 
       111 1 11 PRO HD2  1 11 PRO HG3  2.700 . 3.600 2.699 2.661 2.993     .  0 0 "[    .    1    .    2]" 1 
       112 1 11 PRO HD2  1 12 PHE H    2.800 . 3.800 2.958 2.598 3.171     .  0 0 "[    .    1    .    2]" 1 
       113 1 11 PRO HD2  1 22 SER HA   2.600 . 3.400 2.561 1.971 3.068     .  0 0 "[    .    1    .    2]" 1 
       114 1 11 PRO HD3  1 11 PRO HG2  2.500 . 3.300 2.974 2.683 3.003     .  0 0 "[    .    1    .    2]" 1 
       115 1 11 PRO HD3  1 11 PRO HG3  2.400 . 3.100 2.318 2.246 2.335     .  0 0 "[    .    1    .    2]" 1 
       116 1 11 PRO HD3  1 12 PHE H    2.800 . 6.000 4.018 3.868 4.138     .  0 0 "[    .    1    .    2]" 1 
       117 1 11 PRO HD3  1 12 PHE QB   2.800 . 6.000 5.941 5.787 6.046 0.046 15 0 "[    .    1    .    2]" 1 
       118 1 11 PRO HD3  1 22 SER HA   2.300 . 6.000 4.160 3.446 4.800     .  0 0 "[    .    1    .    2]" 1 
       119 1 11 PRO HG2  1 12 PHE H    3.000 . 4.100 2.885 2.678 4.012     .  0 0 "[    .    1    .    2]" 1 
       120 1 11 PRO HG2  1 22 SER HA   3.100 . 4.300 3.075 2.161 3.792     .  0 0 "[    .    1    .    2]" 1 
       121 1 11 PRO HG3  1 12 PHE H    3.300 . 4.700 4.276 4.125 4.517     .  0 0 "[    .    1    .    2]" 1 
       122 1 11 PRO HG3  1 22 SER HA   3.300 . 4.700 4.032 3.183 4.735 0.035  9 0 "[    .    1    .    2]" 1 
       123 1 12 PHE H    1 12 PHE HA   2.400 . 3.100 2.939 2.927 2.947     .  0 0 "[    .    1    .    2]" 1 
       124 1 12 PHE H    1 12 PHE HB2  2.100 . 2.700 2.667 2.556 2.720 0.020 16 0 "[    .    1    .    2]" 1 
       125 1 12 PHE H    1 13 GLN H    2.800 . 3.700 3.733 3.584 3.858 0.158  6 0 "[    .    1    .    2]" 1 
       126 1 12 PHE H    1 20 SER HA   3.800 . 5.600 4.902 4.608 5.169     .  0 0 "[    .    1    .    2]" 1 
       127 1 12 PHE H    1 20 SER HB3  3.300 . 6.000 5.696 5.123 6.043 0.043 11 0 "[    .    1    .    2]" 1 
       128 1 12 PHE H    1 24 SER HA   3.300 . 6.000 5.964 5.740 6.064 0.064 17 0 "[    .    1    .    2]" 1 
       129 1 12 PHE HA   1 12 PHE QB   2.100 . 2.700 2.354 2.324 2.393     .  0 0 "[    .    1    .    2]" 1 
       130 1 12 PHE QB   1 13 GLN H    2.600 . 6.000 3.754 3.690 3.843     .  0 0 "[    .    1    .    2]" 1 
       131 1 12 PHE QB   1 20 SER HA   3.800 . 5.600 5.109 4.877 5.222     .  0 0 "[    .    1    .    2]" 1 
       132 1 12 PHE QB   1 21 PHE H    2.600 . 3.400 3.485 3.354 3.551 0.151  4 0 "[    .    1    .    2]" 1 
       133 1 12 PHE QB   1 21 PHE HA   3.700 . 5.500 4.665 4.534 4.839     .  0 0 "[    .    1    .    2]" 1 
       134 1 12 PHE QB   1 26 HIS HB2  3.400 . 6.000 5.260 4.876 5.649     .  0 0 "[    .    1    .    2]" 1 
       135 1 12 PHE QB   1 27 LEU HA   3.400 . 4.900 4.595 4.278 4.918 0.018  3 0 "[    .    1    .    2]" 1 
       136 1 12 PHE HB2  1 23 ARG H    3.600 . 5.200 4.071 3.690 4.488     .  0 0 "[    .    1    .    2]" 1 
       137 1 12 PHE HB3  1 27 LEU HB2  2.800 . 3.800 2.635 2.262 3.004     .  0 0 "[    .    1    .    2]" 1 
       138 1 13 GLN H    1 13 GLN HA   2.700 . 3.600 2.922 2.880 2.941     .  0 0 "[    .    1    .    2]" 1 
       139 1 13 GLN H    1 13 GLN QB   1.900 . 2.400 2.428 1.992 2.631 0.231 13 0 "[    .    1    .    2]" 1 
       140 1 13 GLN H    1 13 GLN HG2  2.800 . 3.800 3.244 2.361 4.349 0.549 20 1 "[    .    1    .    +]" 1 
       141 1 13 GLN H    1 13 GLN HG3  2.700 . 6.000 3.677 2.824 4.118     .  0 0 "[    .    1    .    2]" 1 
       142 1 13 GLN H    1 14 CYS H    3.200 . 4.500 4.537 4.487 4.587 0.087 14 0 "[    .    1    .    2]" 1 
       143 1 13 GLN H    1 20 SER HA   3.400 . 4.800 4.597 4.304 4.813 0.013  9 0 "[    .    1    .    2]" 1 
       144 1 13 GLN HA   1 13 GLN QB   2.300 . 3.000 2.262 2.150 2.527     .  0 0 "[    .    1    .    2]" 1 
       145 1 13 GLN HA   1 13 GLN HG2  3.000 . 4.100 3.312 2.011 3.949     .  0 0 "[    .    1    .    2]" 1 
       146 1 13 GLN HA   1 13 GLN HG3  2.600 . 3.500 3.423 2.415 4.160 0.660  4 5 "[*  +.    1* - .  * 2]" 1 
       147 1 13 GLN HA   1 14 CYS H    2.000 . 2.500 2.377 2.310 2.440     .  0 0 "[    .    1    .    2]" 1 
       148 1 13 GLN HA   1 14 CYS HB2  2.500 . 6.000 3.836 3.376 4.154     .  0 0 "[    .    1    .    2]" 1 
       149 1 13 GLN HA   1 20 SER HA   2.700 . 3.600 2.180 1.828 2.560     .  0 0 "[    .    1    .    2]" 1 
       150 1 13 GLN HA   1 20 SER HB2  2.600 . 6.000 4.873 4.380 5.359     .  0 0 "[    .    1    .    2]" 1 
       151 1 13 GLN HA   1 21 PHE H    2.800 . 3.800 2.826 2.539 3.085     .  0 0 "[    .    1    .    2]" 1 
       152 1 13 GLN QB   1 13 GLN HE21 3.400 . 4.900 2.520 1.609 3.898 0.291  3 0 "[    .    1    .    2]" 1 
       153 1 13 GLN QB   1 13 GLN HG2  2.100 . 2.700 2.370 2.093 2.515     .  0 0 "[    .    1    .    2]" 1 
       154 1 13 GLN QB   1 14 CYS H    2.500 . 3.300 2.698 2.125 3.105     .  0 0 "[    .    1    .    2]" 1 
       155 1 13 GLN QB   1 20 SER HA   3.100 . 4.300 3.085 1.943 3.951     .  0 0 "[    .    1    .    2]" 1 
       156 1 13 GLN QB   1 20 SER HB3  3.100 . 4.300 3.779 2.703 4.417 0.117 15 0 "[    .    1    .    2]" 1 
       157 1 13 GLN QB   1 21 PHE H    3.200 . 4.500 4.193 3.326 4.718 0.218 20 0 "[    .    1    .    2]" 1 
       158 1 13 GLN HE21 1 13 GLN HG2  3.100 . 4.300 3.110 2.130 3.553     .  0 0 "[    .    1    .    2]" 1 
       159 1 13 GLN HE21 1 13 GLN HG3  2.700 . 3.600 2.807 2.104 3.544     .  0 0 "[    .    1    .    2]" 1 
       160 1 13 GLN HE21 1 14 CYS H    3.000 . 6.000 5.049 3.307 6.105 0.105 15 0 "[    .    1    .    2]" 1 
       161 1 13 GLN HE21 1 18 ASP HA   6.000 . 7.000 4.466 1.731 7.066 0.066 19 0 "[    .    1    .    2]" 1 
       162 1 13 GLN HE21 1 20 SER HB3  3.800 . 5.600 4.864 2.534 5.877 0.277  2 0 "[    .    1    .    2]" 1 
       163 1 13 GLN HG2  1 14 CYS H    3.000 . 4.100 3.723 2.650 4.236 0.136  2 0 "[    .    1    .    2]" 1 
       164 1 13 GLN HG3  1 14 CYS H    2.900 . 4.000 3.777 2.716 4.359 0.359 17 0 "[    .    1    .    2]" 1 
       165 1 14 CYS H    1 14 CYS HA   2.500 . 3.300 2.877 2.844 2.923     .  0 0 "[    .    1    .    2]" 1 
       166 1 14 CYS H    1 14 CYS HB2  2.100 . 2.700 2.782 2.727 2.854 0.154 19 0 "[    .    1    .    2]" 1 
       167 1 14 CYS H    1 14 CYS HB3  2.200 . 2.800 2.536 2.466 2.691     .  0 0 "[    .    1    .    2]" 1 
       168 1 14 CYS H    1 15 PRO HD3  3.200 . 6.000 4.686 4.565 4.774     .  0 0 "[    .    1    .    2]" 1 
       169 1 14 CYS H    1 19 ARG H    3.000 . 4.100 2.579 2.089 3.335     .  0 0 "[    .    1    .    2]" 1 
       170 1 14 CYS H    1 19 ARG HE   3.300 . 6.000 5.558 5.288 5.878     .  0 0 "[    .    1    .    2]" 1 
       171 1 14 CYS H    1 20 SER HA   2.500 . 6.000 3.679 3.060 4.184     .  0 0 "[    .    1    .    2]" 1 
       172 1 14 CYS HA   1 14 CYS HB2  2.800 . 3.700 2.444 2.420 2.505     .  0 0 "[    .    1    .    2]" 1 
       173 1 14 CYS HA   1 14 CYS HB3  2.400 . 3.100 3.028 3.014 3.034     .  0 0 "[    .    1    .    2]" 1 
       174 1 14 CYS HA   1 15 PRO HB3  2.600 . 6.000 4.860 4.806 4.912     .  0 0 "[    .    1    .    2]" 1 
       175 1 14 CYS HA   1 15 PRO HD2  2.400 . 3.100 2.177 2.076 2.266     .  0 0 "[    .    1    .    2]" 1 
       176 1 14 CYS HA   1 15 PRO HD3  2.300 . 2.900 2.245 2.167 2.313     .  0 0 "[    .    1    .    2]" 1 
       177 1 14 CYS HA   1 19 ARG HE   3.400 . 6.000 6.082 6.022 6.199 0.199  3 0 "[    .    1    .    2]" 1 
       178 1 14 CYS HA   1 31 ARG HD2  2.800 . 3.800 3.045 2.686 3.417     .  0 0 "[    .    1    .    2]" 1 
       179 1 14 CYS HA   1 31 ARG HE   3.700 . 5.400 4.354 3.808 5.152     .  0 0 "[    .    1    .    2]" 1 
       180 1 14 CYS HA   1 34 HIS HD2  3.800 . 5.600 5.590 5.299 5.713 0.113  6 0 "[    .    1    .    2]" 1 
       181 1 14 CYS HB2  1 16 ASP H    3.200 . 4.500 4.164 4.062 4.289     .  0 0 "[    .    1    .    2]" 1 
       182 1 14 CYS HB2  1 17 CYS H    2.700 . 6.000 3.840 3.626 4.110     .  0 0 "[    .    1    .    2]" 1 
       183 1 14 CYS HB2  1 19 ARG H    2.300 . 6.000 3.308 2.982 3.699     .  0 0 "[    .    1    .    2]" 1 
       184 1 14 CYS HB2  1 19 ARG HE   2.800 . 3.800 3.715 3.637 3.871 0.071  3 0 "[    .    1    .    2]" 1 
       185 1 14 CYS HB2  1 20 SER H    2.900 . 6.000 5.350 4.859 5.868     .  0 0 "[    .    1    .    2]" 1 
       186 1 14 CYS HB3  1 15 PRO HD3  3.100 . 6.000 4.974 4.902 5.034     .  0 0 "[    .    1    .    2]" 1 
       187 1 14 CYS HB3  1 16 ASP H    3.100 . 4.300 3.470 3.353 3.597     .  0 0 "[    .    1    .    2]" 1 
       188 1 14 CYS HB3  1 17 CYS H    2.800 . 3.800 2.611 2.366 2.846     .  0 0 "[    .    1    .    2]" 1 
       189 1 15 PRO HA   1 15 PRO HB2  2.100 . 2.700 2.696 2.677 2.715 0.015  6 0 "[    .    1    .    2]" 1 
       190 1 15 PRO HA   1 15 PRO HB3  2.100 . 2.600 2.305 2.291 2.322     .  0 0 "[    .    1    .    2]" 1 
       191 1 15 PRO HA   1 15 PRO HD3  3.500 . 5.000 3.703 3.622 3.780     .  0 0 "[    .    1    .    2]" 1 
       192 1 15 PRO HA   1 16 ASP H    2.800 . 3.800 3.347 3.278 3.416     .  0 0 "[    .    1    .    2]" 1 
       193 1 15 PRO HA   1 17 CYS H    3.300 . 4.700 4.660 4.124 4.839 0.139 17 0 "[    .    1    .    2]" 1 
       194 1 15 PRO HB2  1 15 PRO HD2  2.900 . 4.000 4.009 3.992 4.025 0.025 17 0 "[    .    1    .    2]" 1 
       195 1 15 PRO HB2  1 15 PRO HD3  2.700 . 6.000 3.956 3.929 3.982     .  0 0 "[    .    1    .    2]" 1 
       196 1 15 PRO HB2  1 15 PRO HG3  2.400 . 3.100 2.672 2.668 2.681     .  0 0 "[    .    1    .    2]" 1 
       197 1 15 PRO HB2  1 16 ASP H    3.200 . 4.500 3.925 3.774 4.037     .  0 0 "[    .    1    .    2]" 1 
       198 1 15 PRO HB3  1 15 PRO HD2  2.600 . 6.000 3.882 3.872 3.895     .  0 0 "[    .    1    .    2]" 1 
       199 1 15 PRO HB3  1 16 ASP H    2.700 . 6.000 4.463 4.410 4.505     .  0 0 "[    .    1    .    2]" 1 
       200 1 15 PRO HB3  1 31 ARG QD   3.200 . 6.000 5.262 4.838 5.762     .  0 0 "[    .    1    .    2]" 1 
       201 1 15 PRO HD2  1 15 PRO HG3  2.500 . 3.300 2.738 2.720 2.757     .  0 0 "[    .    1    .    2]" 1 
       202 1 15 PRO HD2  1 31 ARG HD2  2.500 . 3.300 2.213 1.995 2.533     .  0 0 "[    .    1    .    2]" 1 
       203 1 15 PRO HD2  1 31 ARG HE   3.200 . 4.500 2.585 2.144 3.266     .  0 0 "[    .    1    .    2]" 1 
       204 1 15 PRO HD3  1 15 PRO QG   2.400 . 3.100 2.217 2.208 2.225     .  0 0 "[    .    1    .    2]" 1 
       205 1 15 PRO HD3  1 16 ASP H    2.800 . 6.000 3.911 3.799 4.002     .  0 0 "[    .    1    .    2]" 1 
       206 1 15 PRO HD3  1 31 ARG HD2  3.000 . 4.100 2.859 2.450 3.482     .  0 0 "[    .    1    .    2]" 1 
       207 1 15 PRO HD3  1 31 ARG HE   3.200 . 4.500 4.056 3.714 4.507 0.007 16 0 "[    .    1    .    2]" 1 
       208 1 15 PRO QG   1 31 ARG HD2  3.100 . 4.300 3.242 2.898 3.661     .  0 0 "[    .    1    .    2]" 1 
       209 1 15 PRO QG   1 34 HIS HD2  2.700 . 6.000 5.497 5.143 6.017 0.017  2 0 "[    .    1    .    2]" 1 
       210 1 16 ASP H    1 16 ASP HA   2.300 . 3.000 2.946 2.931 2.958     .  0 0 "[    .    1    .    2]" 1 
       211 1 16 ASP H    1 16 ASP HB2  2.400 . 3.100 2.641 2.203 3.025     .  0 0 "[    .    1    .    2]" 1 
       212 1 16 ASP H    1 16 ASP HB3  2.500 . 3.300 2.914 2.594 3.441 0.141  3 0 "[    .    1    .    2]" 1 
       213 1 16 ASP H    1 17 CYS H    2.100 . 2.600 2.052 1.993 2.114     .  0 0 "[    .    1    .    2]" 1 
       214 1 16 ASP H    1 17 CYS HA   3.300 . 4.700 4.771 4.734 4.812 0.112  2 0 "[    .    1    .    2]" 1 
       215 1 16 ASP H    1 31 ARG HD2  3.300 . 4.700 4.781 4.718 4.858 0.158  2 0 "[    .    1    .    2]" 1 
       216 1 16 ASP H    1 34 HIS HD2  3.300 . 6.000 5.370 5.042 5.649     .  0 0 "[    .    1    .    2]" 1 
       217 1 16 ASP HA   1 16 ASP HB2  2.300 . 2.900 2.658 2.450 2.949 0.049  8 0 "[    .    1    .    2]" 1 
       218 1 16 ASP HA   1 16 ASP HB3  2.500 . 3.300 2.937 2.706 3.027     .  0 0 "[    .    1    .    2]" 1 
       219 1 16 ASP HA   1 17 CYS H    2.600 . 3.500 3.507 3.425 3.533 0.033 17 0 "[    .    1    .    2]" 1 
       220 1 16 ASP HB2  1 17 CYS H    3.100 . 4.300 3.587 2.823 3.916     .  0 0 "[    .    1    .    2]" 1 
       221 1 16 ASP HB3  1 17 CYS H    2.700 . 3.600 2.869 2.548 3.624 0.024 14 0 "[    .    1    .    2]" 1 
       222 1 16 ASP HB3  1 34 HIS HD2  2.700 . 6.000 4.411 3.818 4.813     .  0 0 "[    .    1    .    2]" 1 
       223 1 17 CYS H    1 17 CYS HA   2.500 . 3.300 2.928 2.906 2.944     .  0 0 "[    .    1    .    2]" 1 
       224 1 17 CYS H    1 17 CYS HB2  3.100 . 4.300 2.561 2.493 2.676     .  0 0 "[    .    1    .    2]" 1 
       225 1 17 CYS H    1 17 CYS HB3  3.000 . 4.100 3.694 3.654 3.727     .  0 0 "[    .    1    .    2]" 1 
       226 1 17 CYS H    1 18 ASP H    2.600 . 3.500 2.114 1.973 2.301     .  0 0 "[    .    1    .    2]" 1 
       227 1 17 CYS H    1 18 ASP HA   3.600 . 5.200 4.364 4.232 4.546     .  0 0 "[    .    1    .    2]" 1 
       228 1 17 CYS HA   1 17 CYS HB2  2.200 . 6.000 3.016 3.000 3.027     .  0 0 "[    .    1    .    2]" 1 
       229 1 17 CYS HA   1 17 CYS HB3  2.300 . 2.900 2.443 2.387 2.514     .  0 0 "[    .    1    .    2]" 1 
       230 1 17 CYS HA   1 18 ASP H    2.200 . 6.000 3.463 3.442 3.492     .  0 0 "[    .    1    .    2]" 1 
       231 1 17 CYS HA   1 18 ASP HB2  3.800 . 5.600 4.756 4.143 6.042 0.442  9 0 "[    .    1    .    2]" 1 
       232 1 17 CYS HB2  1 18 ASP H    2.300 . 3.000 2.811 2.738 2.858     .  0 0 "[    .    1    .    2]" 1 
       233 1 17 CYS HB2  1 18 ASP HA   3.300 . 4.700 4.658 4.556 4.760 0.060 14 0 "[    .    1    .    2]" 1 
       234 1 17 CYS HB2  1 19 ARG H    3.100 . 4.300 2.654 2.088 3.150     .  0 0 "[    .    1    .    2]" 1 
       235 1 17 CYS HB3  1 18 ASP H    2.400 . 6.000 3.850 3.684 3.946     .  0 0 "[    .    1    .    2]" 1 
       236 1 17 CYS HB3  1 19 ARG H    3.200 . 4.500 3.830 2.907 4.458     .  0 0 "[    .    1    .    2]" 1 
       237 1 18 ASP H    1 18 ASP HA   2.300 . 3.000 2.285 2.239 2.338     .  0 0 "[    .    1    .    2]" 1 
       238 1 18 ASP H    1 18 ASP HB2  2.400 . 6.000 3.509 3.241 4.024     .  0 0 "[    .    1    .    2]" 1 
       239 1 18 ASP H    1 18 ASP HB3  2.400 . 6.000 3.830 3.182 4.137     .  0 0 "[    .    1    .    2]" 1 
       240 1 18 ASP H    1 19 ARG H    2.300 . 2.900 2.254 2.065 2.510     .  0 0 "[    .    1    .    2]" 1 
       241 1 18 ASP HA   1 18 ASP HB3  2.400 . 3.100 2.854 2.651 3.006     .  0 0 "[    .    1    .    2]" 1 
       242 1 18 ASP HA   1 19 ARG H    2.700 . 3.600 2.745 2.459 3.024     .  0 0 "[    .    1    .    2]" 1 
       243 1 19 ARG H    1 19 ARG HA   2.400 . 3.100 2.889 2.843 2.913     .  0 0 "[    .    1    .    2]" 1 
       244 1 19 ARG H    1 19 ARG HB3  2.700 . 3.600 3.504 3.326 3.646 0.046  2 0 "[    .    1    .    2]" 1 
       245 1 19 ARG H    1 19 ARG HD2  3.000 . 6.000 4.748 4.371 5.206     .  0 0 "[    .    1    .    2]" 1 
       246 1 19 ARG H    1 19 ARG HG3  2.600 . 3.500 3.131 2.381 3.563 0.063 17 0 "[    .    1    .    2]" 1 
       247 1 19 ARG H    1 20 SER H    2.700 . 6.000 4.423 4.164 4.614     .  0 0 "[    .    1    .    2]" 1 
       248 1 19 ARG HA   1 19 ARG HB2  2.400 . 3.100 2.975 2.918 3.033     .  0 0 "[    .    1    .    2]" 1 
       249 1 19 ARG HA   1 19 ARG HB3  2.300 . 3.000 2.572 2.290 2.782     .  0 0 "[    .    1    .    2]" 1 
       250 1 19 ARG HA   1 19 ARG HD3  2.600 . 6.000 4.305 3.892 4.776     .  0 0 "[    .    1    .    2]" 1 
       251 1 19 ARG HA   1 19 ARG HE   3.300 . 6.000 5.235 4.570 5.526     .  0 0 "[    .    1    .    2]" 1 
       252 1 19 ARG HA   1 20 SER H    2.400 . 3.100 2.754 2.281 3.033     .  0 0 "[    .    1    .    2]" 1 
       253 1 19 ARG HA   1 21 PHE HZ   3.800 . 5.600 5.545 5.078 5.666 0.066  3 0 "[    .    1    .    2]" 1 
       254 1 19 ARG HB2  1 19 ARG HD2  3.000 . 4.100 3.480 3.031 3.766     .  0 0 "[    .    1    .    2]" 1 
       255 1 19 ARG HB2  1 19 ARG HD3  2.900 . 6.000 3.086 2.007 4.130     .  0 0 "[    .    1    .    2]" 1 
       256 1 19 ARG HB2  1 19 ARG HE   2.800 . 3.800 3.174 2.560 3.579     .  0 0 "[    .    1    .    2]" 1 
       257 1 19 ARG HB2  1 21 PHE HZ   3.000 . 4.100 3.311 2.814 3.982     .  0 0 "[    .    1    .    2]" 1 
       258 1 19 ARG HB3  1 19 ARG HD2  3.200 . 4.500 3.112 1.936 4.053     .  0 0 "[    .    1    .    2]" 1 
       259 1 19 ARG HB3  1 19 ARG HD3  2.800 . 3.800 3.334 3.100 3.518     .  0 0 "[    .    1    .    2]" 1 
       260 1 19 ARG HB3  1 19 ARG HE   2.800 . 3.800 3.185 2.283 3.683     .  0 0 "[    .    1    .    2]" 1 
       261 1 19 ARG HB3  1 20 SER H    2.600 . 3.500 2.134 1.481 2.961 0.219 11 0 "[    .    1    .    2]" 1 
       262 1 19 ARG HB3  1 20 SER HA   4.000 . 6.000 4.334 3.922 4.937     .  0 0 "[    .    1    .    2]" 1 
       263 1 19 ARG HB3  1 21 PHE HZ   2.800 . 3.800 3.107 2.504 3.650     .  0 0 "[    .    1    .    2]" 1 
       264 1 19 ARG HD2  1 19 ARG HE   2.300 . 3.000 2.877 2.356 2.963     .  0 0 "[    .    1    .    2]" 1 
       265 1 19 ARG HD2  1 19 ARG HG2  2.600 . 3.400 2.544 2.292 2.800     .  0 0 "[    .    1    .    2]" 1 
       266 1 19 ARG HD2  1 19 ARG HG3  2.600 . 3.400 2.656 2.263 3.014     .  0 0 "[    .    1    .    2]" 1 
       267 1 19 ARG HD2  1 20 SER H    4.000 . 6.000 4.837 3.044 5.603     .  0 0 "[    .    1    .    2]" 1 
       268 1 19 ARG HD3  1 19 ARG HE   2.600 . 3.400 2.457 2.270 2.941     .  0 0 "[    .    1    .    2]" 1 
       269 1 19 ARG HD3  1 19 ARG HG2  2.700 . 3.600 2.684 2.213 3.010     .  0 0 "[    .    1    .    2]" 1 
       270 1 19 ARG HD3  1 19 ARG HG3  2.500 . 3.300 2.544 2.299 2.807     .  0 0 "[    .    1    .    2]" 1 
       271 1 19 ARG HD3  1 20 SER H    3.700 . 5.400 5.299 4.136 6.025 0.625 10 2 "[    .    + -  .    2]" 1 
       272 1 19 ARG HD3  1 21 PHE HZ   3.100 . 4.300 3.941 3.315 4.465 0.165 19 0 "[    .    1    .    2]" 1 
       273 1 19 ARG HE   1 19 ARG HG2  3.200 . 4.500 3.473 3.177 3.863     .  0 0 "[    .    1    .    2]" 1 
       274 1 19 ARG HE   1 19 ARG HG3  3.000 . 4.200 3.256 2.312 4.068     .  0 0 "[    .    1    .    2]" 1 
       275 1 19 ARG HE   1 20 SER H    3.500 . 5.000 5.053 4.820 5.211 0.211 17 0 "[    .    1    .    2]" 1 
       276 1 19 ARG HE   1 21 PHE HZ   3.000 . 4.100 1.868 1.748 2.101 0.152  6 0 "[    .    1    .    2]" 1 
       277 1 19 ARG HE   1 30 HIS HA   3.600 . 5.200 5.169 5.014 5.354 0.154  3 0 "[    .    1    .    2]" 1 
       278 1 19 ARG HE   1 30 HIS HB3  2.700 . 3.600 3.642 3.531 3.711 0.111  3 0 "[    .    1    .    2]" 1 
       279 1 19 ARG HE   1 31 ARG H    2.800 . 6.000 5.958 5.865 6.014 0.014 13 0 "[    .    1    .    2]" 1 
       280 1 19 ARG HE   1 31 ARG HA   3.300 . 6.000 6.127 6.008 6.198 0.198 10 0 "[    .    1    .    2]" 1 
       281 1 19 ARG HE   1 31 ARG HG2  2.700 . 6.000 5.758 5.467 5.987     .  0 0 "[    .    1    .    2]" 1 
       282 1 19 ARG HE   1 31 ARG HG3  2.900 . 6.000 5.951 5.603 6.070 0.070  6 0 "[    .    1    .    2]" 1 
       283 1 19 ARG HE   1 34 HIS HD2  2.600 . 6.000 6.037 5.840 6.090 0.090 19 0 "[    .    1    .    2]" 1 
       284 1 19 ARG HG3  1 20 SER H    3.600 . 5.300 4.311 3.887 5.328 0.028 10 0 "[    .    1    .    2]" 1 
       285 1 19 ARG HG3  1 21 PHE HZ   3.400 . 4.800 4.241 2.836 4.928 0.128 17 0 "[    .    1    .    2]" 1 
       286 1 20 SER H    1 20 SER HA   2.700 . 3.600 2.897 2.826 2.956     .  0 0 "[    .    1    .    2]" 1 
       287 1 20 SER HA   1 20 SER HB2  2.300 . 3.000 2.762 2.650 2.924     .  0 0 "[    .    1    .    2]" 1 
       288 1 20 SER HA   1 20 SER HB3  2.200 . 2.800 2.250 2.215 2.298     .  0 0 "[    .    1    .    2]" 1 
       289 1 20 SER HA   1 21 PHE H    2.100 . 2.700 2.119 2.078 2.182     .  0 0 "[    .    1    .    2]" 1 
       290 1 20 SER HA   1 21 PHE HB2  3.600 . 6.000 4.706 4.534 4.819     .  0 0 "[    .    1    .    2]" 1 
       291 1 20 SER HA   1 21 PHE HB3  3.000 . 6.000 5.632 5.555 5.673     .  0 0 "[    .    1    .    2]" 1 
       292 1 20 SER HB2  1 21 PHE H    2.600 . 3.400 3.482 3.289 3.570 0.170 13 0 "[    .    1    .    2]" 1 
       293 1 21 PHE H    1 21 PHE HA   3.000 . 4.100 2.936 2.922 2.951     .  0 0 "[    .    1    .    2]" 1 
       294 1 21 PHE H    1 21 PHE HB2  2.900 . 3.900 2.865 2.768 2.970     .  0 0 "[    .    1    .    2]" 1 
       295 1 21 PHE H    1 22 SER H    3.500 . 5.000 4.343 4.239 4.416     .  0 0 "[    .    1    .    2]" 1 
       296 1 21 PHE H    1 22 SER HA   3.400 . 4.800 4.751 4.618 4.833 0.033 20 0 "[    .    1    .    2]" 1 
       297 1 21 PHE HA   1 21 PHE HB2  2.600 . 3.500 3.022 3.014 3.028     .  0 0 "[    .    1    .    2]" 1 
       298 1 21 PHE HA   1 21 PHE HB3  2.800 . 3.800 2.391 2.361 2.436     .  0 0 "[    .    1    .    2]" 1 
       299 1 21 PHE HB2  1 26 HIS HB2  2.900 . 3.900 3.944 3.439 4.215 0.315 19 0 "[    .    1    .    2]" 1 
       300 1 21 PHE HB2  1 26 HIS HB3  3.300 . 4.600 3.805 3.363 4.205     .  0 0 "[    .    1    .    2]" 1 
       301 1 21 PHE HB2  1 27 LEU H    2.700 . 3.600 3.445 3.267 3.532     .  0 0 "[    .    1    .    2]" 1 
       302 1 21 PHE HB3  1 22 SER H    2.700 . 6.000 3.026 2.760 3.253     .  0 0 "[    .    1    .    2]" 1 
       303 1 21 PHE HB3  1 23 ARG H    2.600 . 6.000 2.780 2.568 3.039     .  0 0 "[    .    1    .    2]" 1 
       304 1 21 PHE HB3  1 27 LEU H    2.200 . 6.000 3.524 3.117 3.925     .  0 0 "[    .    1    .    2]" 1 
       305 1 21 PHE HZ   1 30 HIS H    4.100 . 6.200 4.869 4.609 5.102     .  0 0 "[    .    1    .    2]" 1 
       306 1 21 PHE HZ   1 30 HIS HA   3.300 . 6.000 5.126 4.884 5.600     .  0 0 "[    .    1    .    2]" 1 
       307 1 21 PHE HZ   1 30 HIS HB2  2.700 . 3.600 2.975 2.688 3.571     .  0 0 "[    .    1    .    2]" 1 
       308 1 21 PHE HZ   1 30 HIS HB3  2.700 . 3.600 2.810 2.489 3.154     .  0 0 "[    .    1    .    2]" 1 
       309 1 22 SER H    1 22 SER HA   2.500 . 3.300 2.888 2.844 2.920     .  0 0 "[    .    1    .    2]" 1 
       310 1 22 SER H    1 22 SER HB2  2.600 . 3.400 3.189 2.901 3.416 0.016  9 0 "[    .    1    .    2]" 1 
       311 1 22 SER H    1 22 SER HB3  2.600 . 3.400 3.375 3.105 3.522 0.122 15 0 "[    .    1    .    2]" 1 
       312 1 22 SER H    1 23 ARG H    2.300 . 3.000 2.292 2.155 2.493     .  0 0 "[    .    1    .    2]" 1 
       313 1 22 SER H    1 23 ARG HB2  3.700 . 5.400 4.613 4.199 5.162     .  0 0 "[    .    1    .    2]" 1 
       314 1 22 SER H    1 23 ARG HG3  3.000 . 6.000 4.281 3.569 5.373     .  0 0 "[    .    1    .    2]" 1 
       315 1 22 SER HA   1 22 SER HB2  2.800 . 3.800 2.861 2.728 2.974     .  0 0 "[    .    1    .    2]" 1 
       316 1 22 SER HA   1 22 SER HB3  2.600 . 3.500 2.253 2.240 2.284     .  0 0 "[    .    1    .    2]" 1 
       317 1 22 SER HB3  1 23 ARG H    2.800 . 6.000 4.333 4.190 4.434     .  0 0 "[    .    1    .    2]" 1 
       318 1 23 ARG H    1 23 ARG HA   2.400 . 3.100 2.951 2.943 2.959     .  0 0 "[    .    1    .    2]" 1 
       319 1 23 ARG H    1 23 ARG HB3  2.600 . 6.000 3.732 3.568 3.811     .  0 0 "[    .    1    .    2]" 1 
       320 1 23 ARG H    1 23 ARG HD3  3.600 . 5.200 4.884 3.839 5.724 0.524 14 1 "[    .    1   +.    2]" 1 
       321 1 23 ARG H    1 23 ARG HE   3.400 . 6.000 5.197 4.677 5.588     .  0 0 "[    .    1    .    2]" 1 
       322 1 23 ARG H    1 23 ARG HG2  2.700 . 3.600 3.626 2.878 3.863 0.263  2 0 "[    .    1    .    2]" 1 
       323 1 23 ARG H    1 23 ARG HG3  2.800 . 3.800 2.956 2.163 3.651     .  0 0 "[    .    1    .    2]" 1 
       324 1 23 ARG H    1 24 SER H    3.200 . 4.500 4.379 4.310 4.473     .  0 0 "[    .    1    .    2]" 1 
       325 1 23 ARG H    1 26 HIS HB2  3.200 . 4.500 3.001 2.677 3.312     .  0 0 "[    .    1    .    2]" 1 
       326 1 23 ARG H    1 26 HIS HB3  3.300 . 4.600 4.108 3.815 4.524     .  0 0 "[    .    1    .    2]" 1 
       327 1 23 ARG HA   1 23 ARG HB2  2.700 . 3.600 3.017 2.970 3.032     .  0 0 "[    .    1    .    2]" 1 
       328 1 23 ARG HA   1 23 ARG HB3  2.600 . 3.500 2.451 2.287 2.620     .  0 0 "[    .    1    .    2]" 1 
       329 1 23 ARG HA   1 23 ARG HD2  3.600 . 5.200 4.228 3.224 5.165     .  0 0 "[    .    1    .    2]" 1 
       330 1 23 ARG HA   1 23 ARG HE   3.400 . 4.900 4.711 4.303 4.928 0.028  4 0 "[    .    1    .    2]" 1 
       331 1 23 ARG HA   1 23 ARG HG3  2.500 . 3.300 3.362 3.018 3.764 0.464 18 0 "[    .    1    .    2]" 1 
       332 1 23 ARG HA   1 24 SER H    2.100 . 2.600 2.104 2.043 2.181     .  0 0 "[    .    1    .    2]" 1 
       333 1 23 ARG HA   1 24 SER HA   4.100 . 6.200 4.319 4.240 4.388     .  0 0 "[    .    1    .    2]" 1 
       334 1 23 ARG HA   1 24 SER QB   3.400 . 4.800 4.322 3.983 4.586     .  0 0 "[    .    1    .    2]" 1 
       335 1 23 ARG HA   1 25 ASP H    2.700 . 3.600 3.647 3.565 3.705 0.105 18 0 "[    .    1    .    2]" 1 
       336 1 23 ARG HB2  1 23 ARG HD3  2.600 . 3.500 3.316 2.308 4.040 0.540 11 4 "[    .    1+* *.  - 2]" 1 
       337 1 23 ARG HB2  1 23 ARG HE   2.700 . 3.600 2.697 2.094 3.150     .  0 0 "[    .    1    .    2]" 1 
       338 1 23 ARG HB2  1 24 SER H    2.900 . 6.000 4.040 3.682 4.230     .  0 0 "[    .    1    .    2]" 1 
       339 1 23 ARG HB2  1 25 ASP H    2.800 . 3.800 3.534 2.920 3.816 0.016 11 0 "[    .    1    .    2]" 1 
       340 1 23 ARG HB2  1 26 HIS HD2  3.200 . 4.500 3.646 3.263 4.078     .  0 0 "[    .    1    .    2]" 1 
       341 1 23 ARG HB3  1 23 ARG HD2  2.500 . 6.000 3.005 2.179 3.812     .  0 0 "[    .    1    .    2]" 1 
       342 1 23 ARG HB3  1 23 ARG HD3  2.200 . 6.000 3.440 3.197 3.632     .  0 0 "[    .    1    .    2]" 1 
       343 1 23 ARG HB3  1 23 ARG HE   3.100 . 4.300 2.416 1.932 2.677     .  0 0 "[    .    1    .    2]" 1 
       344 1 23 ARG HB3  1 24 SER H    3.400 . 4.900 3.116 3.023 3.223     .  0 0 "[    .    1    .    2]" 1 
       345 1 23 ARG HB3  1 25 ASP H    2.900 . 3.900 2.593 2.243 2.849     .  0 0 "[    .    1    .    2]" 1 
       346 1 23 ARG HB3  1 25 ASP HB2  2.700 . 6.000 4.366 3.940 4.741     .  0 0 "[    .    1    .    2]" 1 
       347 1 23 ARG HB3  1 26 HIS HD2  3.400 . 4.900 4.521 4.071 4.914 0.014  1 0 "[    .    1    .    2]" 1 
       348 1 23 ARG HD2  1 23 ARG HE   2.400 . 3.100 2.719 2.314 2.956     .  0 0 "[    .    1    .    2]" 1 
       349 1 23 ARG HD2  1 23 ARG HG3  2.600 . 3.500 2.795 2.409 3.012     .  0 0 "[    .    1    .    2]" 1 
       350 1 23 ARG HD3  1 23 ARG HE   2.300 . 2.900 2.623 2.279 2.955 0.055 12 0 "[    .    1    .    2]" 1 
       351 1 23 ARG HD3  1 23 ARG HG2  2.700 . 3.600 2.728 2.356 3.013     .  0 0 "[    .    1    .    2]" 1 
       352 1 23 ARG HD3  1 23 ARG HG3  2.400 . 3.100 2.366 2.221 2.535     .  0 0 "[    .    1    .    2]" 1 
       353 1 23 ARG HD3  1 26 HIS HD2  2.900 . 6.000 4.700 2.665 6.194 0.194 14 0 "[    .    1    .    2]" 1 
       354 1 23 ARG HE   1 23 ARG HG2  2.400 . 6.000 3.653 3.313 3.895     .  0 0 "[    .    1    .    2]" 1 
       355 1 23 ARG HE   1 23 ARG HG3  2.800 . 3.800 3.427 2.838 3.918 0.118  9 0 "[    .    1    .    2]" 1 
       356 1 23 ARG HE   1 25 ASP H    3.100 . 4.300 4.140 3.712 4.354 0.054 10 0 "[    .    1    .    2]" 1 
       357 1 23 ARG HE   1 26 HIS H    3.100 . 4.300 3.615 3.048 4.221     .  0 0 "[    .    1    .    2]" 1 
       358 1 23 ARG HE   1 26 HIS HD2  2.600 . 3.400 3.175 2.453 3.443 0.043 16 0 "[    .    1    .    2]" 1 
       359 1 23 ARG HG2  1 25 ASP H    2.400 . 6.000 4.970 4.570 5.391     .  0 0 "[    .    1    .    2]" 1 
       360 1 23 ARG HG2  1 26 HIS H    2.400 . 6.000 5.121 4.763 5.436     .  0 0 "[    .    1    .    2]" 1 
       361 1 23 ARG HG3  1 24 SER H    2.800 . 6.000 5.177 4.973 5.430     .  0 0 "[    .    1    .    2]" 1 
       362 1 23 ARG HG3  1 25 ASP H    3.400 . 6.000 5.385 5.121 5.585     .  0 0 "[    .    1    .    2]" 1 
       363 1 23 ARG HG3  1 26 HIS H    2.500 . 6.000 4.709 4.316 5.098     .  0 0 "[    .    1    .    2]" 1 
       364 1 24 SER H    1 24 SER HA   2.600 . 3.400 2.821 2.787 2.855     .  0 0 "[    .    1    .    2]" 1 
       365 1 24 SER H    1 24 SER QB   2.400 . 3.100 2.483 2.042 2.834     .  0 0 "[    .    1    .    2]" 1 
       366 1 24 SER H    1 25 ASP H    2.400 . 3.100 2.514 2.424 2.631     .  0 0 "[    .    1    .    2]" 1 
       367 1 24 SER HA   1 24 SER QB   2.100 . 6.000 2.322 2.146 2.545     .  0 0 "[    .    1    .    2]" 1 
       368 1 24 SER HA   1 25 ASP H    2.900 . 3.900 3.459 3.430 3.482     .  0 0 "[    .    1    .    2]" 1 
       369 1 24 SER HA   1 25 ASP HA   3.700 . 5.400 4.811 4.693 4.844     .  0 0 "[    .    1    .    2]" 1 
       370 1 24 SER HA   1 27 LEU HB2  2.500 . 6.000 2.645 2.341 3.280     .  0 0 "[    .    1    .    2]" 1 
       371 1 24 SER HA   1 28 ALA H    3.000 . 6.000 4.209 3.927 4.822     .  0 0 "[    .    1    .    2]" 1 
       372 1 24 SER QB   1 25 ASP H    3.300 . 4.700 3.097 2.815 3.333     .  0 0 "[    .    1    .    2]" 1 
       373 1 24 SER QB   1 27 LEU H    6.000 . 7.000 4.736 4.574 4.996     .  0 0 "[    .    1    .    2]" 1 
       374 1 25 ASP H    1 25 ASP HA   2.200 . 2.800 2.824 2.786 2.887 0.087 18 0 "[    .    1    .    2]" 1 
       375 1 25 ASP H    1 25 ASP HB2  2.300 . 3.000 3.034 2.559 3.255 0.255 17 0 "[    .    1    .    2]" 1 
       376 1 25 ASP H    1 25 ASP HB3  2.400 . 3.100 2.114 1.973 2.606     .  0 0 "[    .    1    .    2]" 1 
       377 1 25 ASP H    1 26 HIS H    2.300 . 2.900 2.592 2.324 2.702     .  0 0 "[    .    1    .    2]" 1 
       378 1 25 ASP H    1 26 HIS HD2  3.700 . 5.500 5.334 5.040 5.530 0.030 15 0 "[    .    1    .    2]" 1 
       379 1 25 ASP H    1 27 LEU H    3.100 . 4.300 3.902 3.819 4.033     .  0 0 "[    .    1    .    2]" 1 
       380 1 25 ASP HA   1 25 ASP HB3  2.200 . 2.800 2.909 2.821 3.028 0.228 19 0 "[    .    1    .    2]" 1 
       381 1 25 ASP HA   1 26 HIS H    2.800 . 3.800 3.521 3.476 3.540     .  0 0 "[    .    1    .    2]" 1 
       382 1 25 ASP HA   1 28 ALA H    2.700 . 3.600 3.616 3.454 3.682 0.082 14 0 "[    .    1    .    2]" 1 
       383 1 25 ASP HA   1 29 LEU H    3.600 . 5.200 4.266 4.071 4.462     .  0 0 "[    .    1    .    2]" 1 
       384 1 25 ASP HB2  1 26 HIS HD2  3.500 . 5.000 5.148 4.962 5.578 0.578 15 1 "[    .    1    +    2]" 1 
       385 1 25 ASP HB2  1 28 ALA H    3.800 . 6.000 5.815 5.759 5.948     .  0 0 "[    .    1    .    2]" 1 
       386 1 25 ASP HB3  1 26 HIS H    2.800 . 3.800 2.927 2.545 3.200     .  0 0 "[    .    1    .    2]" 1 
       387 1 26 HIS H    1 26 HIS HA   2.400 . 3.100 2.832 2.802 2.863     .  0 0 "[    .    1    .    2]" 1 
       388 1 26 HIS H    1 26 HIS HB2  2.700 . 3.600 2.132 2.096 2.160     .  0 0 "[    .    1    .    2]" 1 
       389 1 26 HIS H    1 26 HIS HB3  2.700 . 3.600 3.427 3.377 3.469     .  0 0 "[    .    1    .    2]" 1 
       390 1 26 HIS H    1 26 HIS HD2  2.500 . 3.300 3.289 3.160 3.363 0.063  6 0 "[    .    1    .    2]" 1 
       391 1 26 HIS HA   1 26 HIS HB2  2.400 . 3.100 2.934 2.890 2.965     .  0 0 "[    .    1    .    2]" 1 
       392 1 26 HIS HA   1 26 HIS HB3  2.400 . 3.100 2.745 2.703 2.799     .  0 0 "[    .    1    .    2]" 1 
       393 1 26 HIS HA   1 26 HIS HD2  2.200 . 2.800 2.671 2.518 2.861 0.061 15 0 "[    .    1    .    2]" 1 
       394 1 26 HIS HA   1 27 LEU H    3.000 . 4.100 3.498 3.476 3.516     .  0 0 "[    .    1    .    2]" 1 
       395 1 26 HIS HA   1 28 ALA H    3.800 . 5.600 4.705 4.577 4.804     .  0 0 "[    .    1    .    2]" 1 
       396 1 26 HIS HA   1 29 LEU H    2.600 . 3.400 3.344 3.223 3.440 0.040  4 0 "[    .    1    .    2]" 1 
       397 1 26 HIS HA   1 29 LEU HG   2.500 . 3.300 3.052 2.785 3.295     .  0 0 "[    .    1    .    2]" 1 
       398 1 26 HIS HB2  1 26 HIS HD2  3.200 . 4.500 3.259 3.062 3.363     .  0 0 "[    .    1    .    2]" 1 
       399 1 26 HIS HB3  1 26 HIS HD2  2.900 . 4.000 3.939 3.916 3.959     .  0 0 "[    .    1    .    2]" 1 
       400 1 26 HIS HD2  1 29 LEU QB   3.300 . 4.700 4.527 4.209 4.707 0.007 13 0 "[    .    1    .    2]" 1 
       401 1 26 HIS HD2  1 29 LEU HG   3.300 . 4.700 4.491 4.153 4.713 0.013  3 0 "[    .    1    .    2]" 1 
       402 1 27 LEU H    1 27 LEU HA   2.300 . 3.000 2.806 2.798 2.813     .  0 0 "[    .    1    .    2]" 1 
       403 1 27 LEU H    1 27 LEU HB2  3.300 . 4.600 2.349 2.305 2.380     .  0 0 "[    .    1    .    2]" 1 
       404 1 27 LEU H    1 27 LEU HG   2.500 . 6.000 4.620 4.603 4.631     .  0 0 "[    .    1    .    2]" 1 
       405 1 27 LEU H    1 28 ALA H    2.700 . 3.600 2.837 2.795 2.893     .  0 0 "[    .    1    .    2]" 1 
       406 1 27 LEU H    1 29 LEU H    3.000 . 4.100 4.021 3.935 4.070     .  0 0 "[    .    1    .    2]" 1 
       407 1 27 LEU HA   1 27 LEU HB2  2.700 . 3.600 2.550 2.534 2.569     .  0 0 "[    .    1    .    2]" 1 
       408 1 27 LEU HA   1 27 LEU HB3  2.500 . 3.300 3.018 3.012 3.024     .  0 0 "[    .    1    .    2]" 1 
       409 1 27 LEU HA   1 30 HIS H    2.800 . 6.000 3.788 3.676 3.901     .  0 0 "[    .    1    .    2]" 1 
       410 1 27 LEU HA   1 30 HIS HB3  2.800 . 3.800 3.324 3.171 3.848 0.048  3 0 "[    .    1    .    2]" 1 
       411 1 27 LEU HB2  1 27 LEU HG   2.800 . 3.800 2.933 2.927 2.940     .  0 0 "[    .    1    .    2]" 1 
       412 1 27 LEU HG   1 28 ALA H    2.700 . 3.600 3.629 3.530 3.675 0.075  9 0 "[    .    1    .    2]" 1 
       413 1 27 LEU HG   1 28 ALA HA   2.900 . 4.000 3.993 3.884 4.037 0.037 13 0 "[    .    1    .    2]" 1 
       414 1 27 LEU HG   1 31 ARG H    3.100 . 6.000 5.143 4.963 5.340     .  0 0 "[    .    1    .    2]" 1 
       415 1 27 LEU HG   1 31 ARG QD   2.200 . 2.800 2.650 2.423 2.814 0.014 14 0 "[    .    1    .    2]" 1 
       416 1 27 LEU HG   1 31 ARG HE   4.000 . 6.000 5.285 5.173 5.403     .  0 0 "[    .    1    .    2]" 1 
       417 1 27 LEU HG   1 31 ARG HG3  3.000 . 4.100 3.123 2.942 3.400     .  0 0 "[    .    1    .    2]" 1 
       418 1 28 ALA H    1 28 ALA HA   2.300 . 2.900 2.763 2.753 2.776     .  0 0 "[    .    1    .    2]" 1 
       419 1 28 ALA H    1 29 LEU H    2.500 . 3.300 2.818 2.765 2.844     .  0 0 "[    .    1    .    2]" 1 
       420 1 28 ALA H    1 29 LEU HA   3.700 . 5.400 5.385 5.341 5.406 0.006  5 0 "[    .    1    .    2]" 1 
       421 1 28 ALA H    1 29 LEU HB2  3.900 . 5.800 4.920 4.839 4.989     .  0 0 "[    .    1    .    2]" 1 
       422 1 28 ALA HA   1 29 LEU H    2.800 . 3.800 3.541 3.526 3.557     .  0 0 "[    .    1    .    2]" 1 
       423 1 28 ALA HA   1 31 ARG HB2  2.900 . 4.000 2.081 1.948 2.210     .  0 0 "[    .    1    .    2]" 1 
       424 1 28 ALA HA   1 31 ARG HB3  2.800 . 3.800 3.693 3.506 3.832 0.032 14 0 "[    .    1    .    2]" 1 
       425 1 28 ALA HA   1 31 ARG HD3  2.700 . 3.600 3.588 3.284 3.682 0.082 14 0 "[    .    1    .    2]" 1 
       426 1 28 ALA HA   1 31 ARG HG2  3.300 . 4.700 4.725 4.653 4.784 0.084 20 0 "[    .    1    .    2]" 1 
       427 1 28 ALA HA   1 31 ARG HG3  3.200 . 4.500 3.398 3.256 3.542     .  0 0 "[    .    1    .    2]" 1 
       428 1 29 LEU H    1 29 LEU HA   2.300 . 2.900 2.786 2.767 2.805     .  0 0 "[    .    1    .    2]" 1 
       429 1 29 LEU H    1 29 LEU HB2  2.100 . 2.600 2.425 2.365 2.482     .  0 0 "[    .    1    .    2]" 1 
       430 1 29 LEU H    1 29 LEU HG   2.300 . 2.900 2.388 2.293 2.528     .  0 0 "[    .    1    .    2]" 1 
       431 1 29 LEU HA   1 29 LEU QB   1.900 . 2.300 2.397 2.380 2.418 0.118  9 0 "[    .    1    .    2]" 1 
       432 1 29 LEU HA   1 29 LEU HG   2.700 . 3.600 2.933 2.704 3.098     .  0 0 "[    .    1    .    2]" 1 
       433 1 29 LEU QB   1 30 HIS HA   3.500 . 5.100 3.897 3.817 3.950     .  0 0 "[    .    1    .    2]" 1 
       434 1 30 HIS H    1 30 HIS HA   2.500 . 3.300 2.867 2.839 2.883     .  0 0 "[    .    1    .    2]" 1 
       435 1 30 HIS H    1 30 HIS HB2  2.700 . 3.600 3.019 2.953 3.430     .  0 0 "[    .    1    .    2]" 1 
       436 1 30 HIS H    1 30 HIS HB3  2.200 . 2.800 2.219 2.151 2.240     .  0 0 "[    .    1    .    2]" 1 
       437 1 30 HIS H    1 31 ARG H    2.400 . 3.100 2.448 2.391 2.567     .  0 0 "[    .    1    .    2]" 1 
       438 1 30 HIS HA   1 30 HIS HB2  2.400 . 3.100 2.314 2.231 2.330     .  0 0 "[    .    1    .    2]" 1 
       439 1 30 HIS HA   1 30 HIS HB3  2.200 . 6.000 2.984 2.784 3.000     .  0 0 "[    .    1    .    2]" 1 
       440 1 30 HIS HA   1 32 LYS H    3.500 . 5.000 3.633 3.481 3.859     .  0 0 "[    .    1    .    2]" 1 
       441 1 30 HIS HA   1 33 ARG H    3.400 . 4.800 4.221 3.874 4.692     .  0 0 "[    .    1    .    2]" 1 
       442 1 30 HIS HB2  1 31 ARG H    2.600 . 6.000 4.134 4.077 4.309     .  0 0 "[    .    1    .    2]" 1 
       443 1 30 HIS HB3  1 31 ARG H    2.700 . 3.600 2.914 2.789 3.560     .  0 0 "[    .    1    .    2]" 1 
       444 1 31 ARG H    1 31 ARG HA   2.500 . 3.300 2.836 2.819 2.856     .  0 0 "[    .    1    .    2]" 1 
       445 1 31 ARG H    1 31 ARG HB2  2.500 . 3.300 2.350 2.281 2.422     .  0 0 "[    .    1    .    2]" 1 
       446 1 31 ARG H    1 31 ARG HB3  2.300 . 6.000 3.570 3.546 3.602     .  0 0 "[    .    1    .    2]" 1 
       447 1 31 ARG H    1 31 ARG QD   2.600 . 6.000 4.220 4.066 4.334     .  0 0 "[    .    1    .    2]" 1 
       448 1 31 ARG H    1 31 ARG HG2  2.800 . 3.700 3.379 3.260 3.519     .  0 0 "[    .    1    .    2]" 1 
       449 1 31 ARG H    1 31 ARG HG3  2.600 . 3.500 2.655 2.481 2.810     .  0 0 "[    .    1    .    2]" 1 
       450 1 31 ARG H    1 32 LYS H    2.400 . 3.100 2.674 2.604 2.757     .  0 0 "[    .    1    .    2]" 1 
       451 1 31 ARG H    1 32 LYS QD   3.000 . 4.100 4.175 4.120 4.224 0.124  5 0 "[    .    1    .    2]" 1 
       452 1 31 ARG H    1 34 HIS HD2  3.400 . 4.900 4.233 4.104 4.415     .  0 0 "[    .    1    .    2]" 1 
       453 1 31 ARG HA   1 31 ARG HB2  2.400 . 3.100 3.009 3.000 3.017     .  0 0 "[    .    1    .    2]" 1 
       454 1 31 ARG HA   1 31 ARG QD   2.600 . 6.000 4.054 3.996 4.124     .  0 0 "[    .    1    .    2]" 1 
       455 1 31 ARG HA   1 31 ARG HE   3.000 . 4.100 4.120 4.041 4.194 0.094 11 0 "[    .    1    .    2]" 1 
       456 1 31 ARG HA   1 31 ARG HG2  2.600 . 3.400 2.264 2.209 2.341     .  0 0 "[    .    1    .    2]" 1 
       457 1 31 ARG HA   1 31 ARG HG3  2.500 . 3.300 3.226 3.150 3.295     .  0 0 "[    .    1    .    2]" 1 
       458 1 31 ARG HA   1 32 LYS H    3.000 . 4.100 3.272 3.186 3.335     .  0 0 "[    .    1    .    2]" 1 
       459 1 31 ARG HA   1 33 ARG H    3.100 . 4.300 3.514 3.306 3.799     .  0 0 "[    .    1    .    2]" 1 
       460 1 31 ARG HA   1 34 HIS HD2  2.100 . 2.700 1.686 1.528 1.918     .  0 0 "[    .    1    .    2]" 1 
       461 1 31 ARG HB2  1 31 ARG HD3  2.300 . 3.000 2.717 2.559 2.793     .  0 0 "[    .    1    .    2]" 1 
       462 1 31 ARG HB2  1 31 ARG HE   2.700 . 6.000 4.417 4.082 4.629     .  0 0 "[    .    1    .    2]" 1 
       463 1 31 ARG HB2  1 32 LYS H    3.100 . 4.300 3.576 3.403 3.722     .  0 0 "[    .    1    .    2]" 1 
       464 1 31 ARG HB3  1 31 ARG HD3  2.400 . 3.100 2.625 2.452 2.897     .  0 0 "[    .    1    .    2]" 1 
       465 1 31 ARG HB3  1 31 ARG HE   2.700 . 3.600 3.237 2.819 3.508     .  0 0 "[    .    1    .    2]" 1 
       466 1 31 ARG HB3  1 31 ARG HG3  2.500 . 3.300 2.979 2.960 2.998     .  0 0 "[    .    1    .    2]" 1 
       467 1 31 ARG HB3  1 34 HIS H    3.000 . 4.100 4.176 4.123 4.217 0.117 16 0 "[    .    1    .    2]" 1 
       468 1 31 ARG HB3  1 34 HIS HD2  3.000 . 4.100 3.114 2.835 3.317     .  0 0 "[    .    1    .    2]" 1 
       469 1 31 ARG QD   1 31 ARG HG2  2.400 . 3.100 2.393 2.318 2.450     .  0 0 "[    .    1    .    2]" 1 
       470 1 31 ARG QD   1 31 ARG HG3  2.500 . 3.300 2.167 2.153 2.176     .  0 0 "[    .    1    .    2]" 1 
       471 1 31 ARG QD   1 32 LYS H    3.400 . 6.000 5.794 5.671 5.918     .  0 0 "[    .    1    .    2]" 1 
       472 1 31 ARG QD   1 34 HIS HD2  2.200 . 6.000 3.898 3.524 4.254     .  0 0 "[    .    1    .    2]" 1 
       473 1 31 ARG HE   1 31 ARG HG2  3.300 . 4.700 2.594 2.321 2.727     .  0 0 "[    .    1    .    2]" 1 
       474 1 31 ARG HE   1 31 ARG HG3  3.300 . 4.600 3.727 3.560 3.813     .  0 0 "[    .    1    .    2]" 1 
       475 1 31 ARG HG2  1 34 HIS HD2  2.900 . 4.000 1.994 1.785 2.276 0.015  3 0 "[    .    1    .    2]" 1 
       476 1 31 ARG HG3  1 34 HIS HD2  3.100 . 4.300 3.633 3.438 3.816     .  0 0 "[    .    1    .    2]" 1 
       477 1 32 LYS H    1 32 LYS HA   2.700 . 3.600 2.829 2.790 2.868     .  0 0 "[    .    1    .    2]" 1 
       478 1 32 LYS H    1 32 LYS HB2  2.000 . 2.500 2.093 2.054 2.311     .  0 0 "[    .    1    .    2]" 1 
       479 1 32 LYS H    1 32 LYS QD   2.200 . 2.800 2.698 2.561 2.751     .  0 0 "[    .    1    .    2]" 1 
       480 1 32 LYS H    1 32 LYS QG   2.900 . 3.900 3.709 2.933 3.858     .  0 0 "[    .    1    .    2]" 1 
       481 1 32 LYS H    1 33 ARG H    2.500 . 3.300 2.527 2.356 2.726     .  0 0 "[    .    1    .    2]" 1 
       482 1 32 LYS HA   1 32 LYS QB   2.000 . 2.500 2.528 2.447 2.538 0.038 12 0 "[    .    1    .    2]" 1 
       483 1 32 LYS HA   1 32 LYS QE   3.000 . 4.100 3.796 2.639 4.182 0.082  5 0 "[    .    1    .    2]" 1 
       484 1 32 LYS QB   1 32 LYS QE   3.300 . 4.600 3.384 2.605 3.765     .  0 0 "[    .    1    .    2]" 1 
       485 1 32 LYS QB   1 33 ARG H    2.400 . 3.100 2.874 2.650 2.960     .  0 0 "[    .    1    .    2]" 1 
       486 1 32 LYS QD   1 32 LYS HE2  2.200 . 2.800 2.100 2.082 2.125     .  0 0 "[    .    1    .    2]" 1 
       487 1 32 LYS HD2  1 32 LYS HG2  2.200 . 2.800 2.223 2.070 2.376     .  0 0 "[    .    1    .    2]" 1 
       488 1 33 ARG H    1 33 ARG HA   2.400 . 3.100 2.872 2.837 2.901     .  0 0 "[    .    1    .    2]" 1 
       489 1 33 ARG H    1 33 ARG HB2  2.600 . 3.500 2.505 2.078 3.646 0.146 12 0 "[    .    1    .    2]" 1 
       490 1 33 ARG H    1 33 ARG HB3  2.900 . 4.000 3.312 2.439 3.621     .  0 0 "[    .    1    .    2]" 1 
       491 1 33 ARG H    1 33 ARG QD   3.100 . 4.300 4.010 3.030 4.376 0.076 20 0 "[    .    1    .    2]" 1 
       492 1 33 ARG H    1 33 ARG QG   2.700 . 3.600 2.816 1.925 3.689 0.089 11 0 "[    .    1    .    2]" 1 
       493 1 33 ARG H    1 34 HIS H    2.400 . 3.100 2.484 2.398 2.638     .  0 0 "[    .    1    .    2]" 1 
       494 1 33 ARG H    1 34 HIS HB2  4.300 . 6.600 4.549 4.429 4.766     .  0 0 "[    .    1    .    2]" 1 
       495 1 33 ARG H    1 34 HIS HD2  3.900 . 5.800 4.733 4.345 5.029     .  0 0 "[    .    1    .    2]" 1 
       496 1 33 ARG HA   1 33 ARG HB2  2.200 . 6.000 2.863 2.343 3.025     .  0 0 "[    .    1    .    2]" 1 
       497 1 33 ARG HA   1 33 ARG HB3  2.400 . 3.100 2.616 2.362 2.898     .  0 0 "[    .    1    .    2]" 1 
       498 1 33 ARG HA   1 33 ARG QG   2.800 . 3.800 2.600 2.173 3.350     .  0 0 "[    .    1    .    2]" 1 
       499 1 33 ARG HA   1 34 HIS H    2.500 . 3.300 3.320 3.196 3.396 0.096 17 0 "[    .    1    .    2]" 1 
       500 1 33 ARG HA   1 35 MET H    2.600 . 3.500 3.485 3.106 3.584 0.084  9 0 "[    .    1    .    2]" 1 
       501 1 33 ARG HB2  1 33 ARG QD   2.500 . 3.300 2.715 2.069 3.578 0.278  8 0 "[    .    1    .    2]" 1 
       502 1 33 ARG HB3  1 33 ARG QD   2.700 . 3.600 2.647 1.973 3.294     .  0 0 "[    .    1    .    2]" 1 
       503 1 33 ARG HB3  1 33 ARG HE   3.000 . 4.100 3.307 1.828 4.531 0.431  2 0 "[    .    1    .    2]" 1 
       504 1 33 ARG QD   1 33 ARG HE   2.300 . 3.000 2.375 2.193 2.493     .  0 0 "[    .    1    .    2]" 1 
       505 1 33 ARG QD   1 33 ARG QG   3.300 . 4.700 2.017 1.923 2.084     .  0 0 "[    .    1    .    2]" 1 
       506 1 33 ARG HE   1 33 ARG QG   3.100 . 4.300 2.563 2.072 3.249     .  0 0 "[    .    1    .    2]" 1 
       507 1 34 HIS H    1 34 HIS HA   2.600 . 3.400 2.925 2.898 2.951     .  0 0 "[    .    1    .    2]" 1 
       508 1 34 HIS H    1 34 HIS HB2  2.700 . 3.600 2.412 2.295 2.525     .  0 0 "[    .    1    .    2]" 1 
       509 1 34 HIS H    1 34 HIS HB3  2.800 . 3.800 3.634 3.562 3.708     .  0 0 "[    .    1    .    2]" 1 
       510 1 34 HIS H    1 34 HIS HD2  2.700 . 6.000 3.769 3.438 4.051     .  0 0 "[    .    1    .    2]" 1 
       511 1 34 HIS H    1 35 MET H    2.300 . 3.000 2.280 2.090 2.670     .  0 0 "[    .    1    .    2]" 1 
       512 1 34 HIS HA   1 34 HIS HB3  2.500 . 3.300 2.536 2.469 2.623     .  0 0 "[    .    1    .    2]" 1 
       513 1 34 HIS HA   1 34 HIS HD2  3.300 . 4.700 4.611 4.434 4.723 0.023 19 0 "[    .    1    .    2]" 1 
       514 1 34 HIS HA   1 35 MET H    2.500 . 3.300 3.231 2.912 3.338 0.038  6 0 "[    .    1    .    2]" 1 
       515 1 34 HIS HB2  1 35 MET H    3.000 . 4.100 3.568 3.352 4.098     .  0 0 "[    .    1    .    2]" 1 
       516 1 34 HIS HB3  1 35 MET H    3.200 . 4.500 4.206 4.047 4.428     .  0 0 "[    .    1    .    2]" 1 
       517 1 35 MET H    1 35 MET HA   2.600 . 3.500 2.913 2.865 2.946     .  0 0 "[    .    1    .    2]" 1 
       518 1 35 MET H    1 35 MET HB2  2.500 . 3.300 2.436 2.111 2.683     .  0 0 "[    .    1    .    2]" 1 
       519 1 35 MET H    1 35 MET HB3  2.200 . 6.000 3.616 3.371 3.706     .  0 0 "[    .    1    .    2]" 1 
       520 1 35 MET H    1 35 MET HG2  2.800 . 3.800 3.462 2.195 3.877 0.077 11 0 "[    .    1    .    2]" 1 
       521 1 35 MET H    1 35 MET HG3  2.800 . 3.800 2.956 2.357 3.813 0.013 20 0 "[    .    1    .    2]" 1 
       522 1 35 MET H    1 36 LEU H    2.600 . 3.400 2.337 1.949 2.773     .  0 0 "[    .    1    .    2]" 1 
       523 1 35 MET HA   1 35 MET HB2  2.300 . 3.000 3.012 2.938 3.024 0.024 13 0 "[    .    1    .    2]" 1 
       524 1 35 MET HA   1 35 MET HB3  2.600 . 3.500 2.511 2.378 2.758     .  0 0 "[    .    1    .    2]" 1 
       525 1 35 MET HA   1 35 MET HG2  3.100 . 4.300 2.565 2.068 3.113     .  0 0 "[    .    1    .    2]" 1 
       526 1 35 MET HA   1 35 MET HG3  2.600 . 3.400 3.253 2.880 3.904 0.504 19 1 "[    .    1    .   +2]" 1 
       527 1 35 MET HA   1 36 LEU H    2.200 . 6.000 3.351 2.952 3.560     .  0 0 "[    .    1    .    2]" 1 
       528 1 35 MET HB2  1 35 MET HG2  2.600 . 3.500 2.895 2.442 3.007     .  0 0 "[    .    1    .    2]" 1 
       529 1 35 MET HB2  1 35 MET HG3  2.700 . 3.600 2.381 2.204 2.689     .  0 0 "[    .    1    .    2]" 1 
       530 1 35 MET HB2  1 36 LEU H    3.000 . 4.100 3.111 2.048 3.999     .  0 0 "[    .    1    .    2]" 1 
       531 1 35 MET HB3  1 35 MET HG3  2.900 . 3.900 2.894 2.441 3.009     .  0 0 "[    .    1    .    2]" 1 
       532 1 36 LEU H    1 36 LEU HA   2.400 . 3.100 2.924 2.898 2.942     .  0 0 "[    .    1    .    2]" 1 
       533 1 36 LEU H    1 36 LEU QB   2.400 . 3.100 2.920 2.578 3.192 0.092 18 0 "[    .    1    .    2]" 1 
       534 1 36 LEU H    1 36 LEU HG   2.300 . 3.000 2.664 2.036 3.811 0.811 11 1 "[    .    1+   .    2]" 1 
       535 1 36 LEU H    1 37 VAL H    2.800 . 3.800 3.114 2.601 3.835 0.035 11 0 "[    .    1    .    2]" 1 
       536 1 36 LEU H    1 37 VAL HA   3.100 . 4.300 4.356 4.202 4.440 0.140  2 0 "[    .    1    .    2]" 1 
       537 1 36 LEU HA   1 36 LEU HB2  2.300 . 3.000 2.917 2.267 3.023 0.023  5 0 "[    .    1    .    2]" 1 
       538 1 36 LEU HA   1 37 VAL H    2.100 . 2.600 2.468 2.157 2.620 0.020 18 0 "[    .    1    .    2]" 1 
       539 1 36 LEU HG   1 37 VAL H    2.100 . 6.000 4.743 3.807 5.064     .  0 0 "[    .    1    .    2]" 1 
       540 1 37 VAL H    1 37 VAL HB   2.800 . 3.800 3.147 2.338 3.812 0.012  1 0 "[    .    1    .    2]" 1 
    stop_

save_



Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Saturday, December 3, 2022 11:44:21 AM GMT (wattos1)