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
543558 2lhn 17858 cing 4-filtered-FRED Wattos check violation distance


data_2lhn


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              837
    _Distance_constraint_stats_list.Viol_count                    3
    _Distance_constraint_stats_list.Viol_total                    0.843
    _Distance_constraint_stats_list.Viol_max                      0.022
    _Distance_constraint_stats_list.Viol_rms                      0.0002
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0000
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0140
    _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 GLY 0.000 0.000 . 0 "[    .    1    .    2]" 
       1  2 PRO 0.000 0.000 . 0 "[    .    1    .    2]" 
       1  3 LEU 0.000 0.000 . 0 "[    .    1    .    2]" 
       1  4 GLY 0.000 0.000 . 0 "[    .    1    .    2]" 
       1  5 SER 0.000 0.000 . 0 "[    .    1    .    2]" 
       1  6 GLU 0.000 0.000 . 0 "[    .    1    .    2]" 
       1  7 LYS 0.000 0.000 . 0 "[    .    1    .    2]" 
       1  8 SER 0.000 0.000 . 0 "[    .    1    .    2]" 
       1  9 LEU 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 10 GLU 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 11 GLN 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 12 CYS 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 13 LYS 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 14 PHE 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 15 GLY 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 16 THR 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 17 HIS 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 18 CYS 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 19 THR 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 20 ASN 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 21 LYS 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 22 ARG 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 23 CYS 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 24 LYS 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 25 TYR 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 26 ARG 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 27 HIS 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 28 ALA 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 29 ARG 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 30 SER 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 31 HIS 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 32 ILE 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 33 MET 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 34 CYS 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 35 ARG 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 36 GLU 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 37 GLY 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 38 ALA 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 39 ASN 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 40 CYS 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 41 THR 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 42 ARG 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 43 ILE 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 44 ASP 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 45 CYS 0.042 0.022 1 0 "[    .    1    .    2]" 
       1 46 LEU 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 47 PHE 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 48 GLY 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 49 HIS 0.042 0.022 1 0 "[    .    1    .    2]" 
       1 50 PRO 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 51 ILE 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 52 ASN 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 53 GLU 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 54 ASP 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 55 CYS 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 56 ARG 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 57 PHE 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 58 GLY 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 59 VAL 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 60 ASN 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 61 CYS 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 62 LYS 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 63 ASN 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 64 ILE 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 65 TYR 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 66 CYS 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 67 LEU 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 68 PHE 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 69 ARG 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 70 HIS 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 71 PRO 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 72 PRO 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 73 GLY 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 74 ARG 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 75 VAL 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 76 LEU 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 77 PRO 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 78 GLU 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 79 LYS 0.000 0.000 . 0 "[    .    1    .    2]" 
       1 80 LYS 0.000 0.000 . 0 "[    .    1    .    2]" 
    stop_

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

         1 1  1 GLY QA  1  2 PRO QD   3.889 .  4.516 2.074 1.985 2.119     . 0 0 "[    .    1    .    2]" 1 
         2 1  2 PRO HA  1  3 LEU H    3.100 .  3.600 2.339 2.109 3.366     . 0 0 "[    .    1    .    2]" 1 
         3 1  2 PRO QB  1  3 LEU H    5.824 .  6.384 2.827 2.515 3.252     . 0 0 "[    .    1    .    2]" 1 
         4 1  2 PRO QD  1  3 LEU H    5.824 .  6.384 4.846 2.646 5.010     . 0 0 "[    .    1    .    2]" 1 
         5 1  2 PRO QG  1  3 LEU H    5.600 .  6.160 4.348 3.950 4.660     . 0 0 "[    .    1    .    2]" 1 
         6 1  3 LEU HA  1  4 GLY H    3.200 .  3.700 2.509 2.153 3.344     . 0 0 "[    .    1    .    2]" 1 
         7 1  4 GLY H   1  5 SER H    5.200 .  5.700 4.038 2.524 4.674     . 0 0 "[    .    1    .    2]" 1 
         8 1  4 GLY QA  1  5 SER H    5.264 .  5.824 2.383 2.127 2.928     . 0 0 "[    .    1    .    2]" 1 
         9 1  5 SER H   1  6 GLU H    5.000 .  5.500 3.477 1.877 4.659     . 0 0 "[    .    1    .    2]" 1 
        10 1  5 SER HA  1  6 GLU H    3.200 .  3.700 2.726 2.135 3.375     . 0 0 "[    .    1    .    2]" 1 
        11 1  5 SER QB  1  6 GLU H    5.712 .  6.272 3.468 2.418 4.091     . 0 0 "[    .    1    .    2]" 1 
        12 1  6 GLU H   1  7 LYS H    3.200 .  3.700 3.166 2.644 3.403     . 0 0 "[    .    1    .    2]" 1 
        13 1  6 GLU HA  1  7 LYS H    2.600 .  3.100 2.661 2.543 3.042     . 0 0 "[    .    1    .    2]" 1 
        14 1  6 GLU QB  1  7 LYS H    4.480 .  5.040 3.959 3.340 4.048     . 0 0 "[    .    1    .    2]" 1 
        15 1  6 GLU QB  1 43 ILE MD   6.492 .  7.249 3.668 3.483 3.940     . 0 0 "[    .    1    .    2]" 1 
        16 1  6 GLU QB  1 24 LYS HA   4.144 .  4.704 3.683 3.100 3.851     . 0 0 "[    .    1    .    2]" 1 
        17 1  6 GLU QB  1 25 TYR H    5.264 .  5.824 3.568 3.028 3.989     . 0 0 "[    .    1    .    2]" 1 
        18 1  6 GLU QB  1 26 ARG HA   5.040 .  5.600 3.424 2.296 4.565     . 0 0 "[    .    1    .    2]" 1 
        19 1  6 GLU QB  1 43 ILE MD   5.779 .  6.451 4.350 4.318 4.377     . 0 0 "[    .    1    .    2]" 1 
        20 1  6 GLU QG  1  7 LYS H    5.040 .  5.600 4.324 4.057 4.578     . 0 0 "[    .    1    .    2]" 1 
        21 1  7 LYS H   1  8 SER H    4.400 .  4.900 2.545 2.096 2.845     . 0 0 "[    .    1    .    2]" 1 
        22 1  7 LYS H   1  8 SER HA   4.800 .  5.300 5.005 4.727 5.154     . 0 0 "[    .    1    .    2]" 1 
        23 1  7 LYS H   1 43 ILE MD   6.840 .  7.440 4.435 3.166 4.739     . 0 0 "[    .    1    .    2]" 1 
        24 1  7 LYS H   1 43 ILE MG   7.440 .  8.040 4.232 1.867 4.689     . 0 0 "[    .    1    .    2]" 1 
        25 1  7 LYS HA  1  8 SER H    3.400 .  3.600 3.147 3.058 3.201     . 0 0 "[    .    1    .    2]" 1 
        26 1  7 LYS HA  1  8 SER QB   5.488 .  6.048 4.967 4.905 5.014     . 0 0 "[    .    1    .    2]" 1 
        27 1  7 LYS HA  1 43 ILE HB   5.105 .  5.666 4.001 3.888 4.085     . 0 0 "[    .    1    .    2]" 1 
        28 1  7 LYS HA  1 43 ILE MD   7.074 .  7.748 2.451 2.211 2.871     . 0 0 "[    .    1    .    2]" 1 
        29 1  7 LYS HA  1 43 ILE HB   4.500 .  5.000 4.514 4.261 4.634     . 0 0 "[    .    1    .    2]" 1 
        30 1  7 LYS HA  1 43 ILE MD   6.240 .  6.840 2.459 2.215 2.897     . 0 0 "[    .    1    .    2]" 1 
        31 1  7 LYS HA  1 43 ILE MG   5.880 .  6.480 2.492 2.151 2.798     . 0 0 "[    .    1    .    2]" 1 
        32 1  7 LYS QB  1  8 SER H    3.920 .  4.480 3.530 3.446 3.632     . 0 0 "[    .    1    .    2]" 1 
        33 1  7 LYS QB  1  8 SER HA   4.928 .  5.488 4.366 4.140 4.489     . 0 0 "[    .    1    .    2]" 1 
        34 1  7 LYS QB  1 43 ILE MD   6.720 .  7.392 3.966 3.676 4.526     . 0 0 "[    .    1    .    2]" 1 
        35 1  7 LYS QB  1 43 ILE MG   5.645 .  6.317 3.963 3.483 4.198     . 0 0 "[    .    1    .    2]" 1 
        36 1  7 LYS QE  1 43 ILE MG   6.451 .  7.123 4.138 2.609 4.824     . 0 0 "[    .    1    .    2]" 1 
        37 1  7 LYS QG  1  8 SER H    5.152 .  5.712 4.476 4.331 4.641     . 0 0 "[    .    1    .    2]" 1 
        38 1  7 LYS QG  1 43 ILE MG   6.989 .  7.661 3.204 2.400 4.389     . 0 0 "[    .    1    .    2]" 1 
        39 1  8 SER H   1  9 LEU H    4.500 .  5.000 4.551 4.433 4.593     . 0 0 "[    .    1    .    2]" 1 
        40 1  8 SER H   1 25 TYR QD   6.496 .  7.056 5.253 4.619 5.802     . 0 0 "[    .    1    .    2]" 1 
        41 1  8 SER H   1 43 ILE MD   6.120 .  6.720 3.482 3.001 3.762     . 0 0 "[    .    1    .    2]" 1 
        42 1  8 SER HA  1  9 LEU H    2.700 .  3.200 2.233 2.171 2.301     . 0 0 "[    .    1    .    2]" 1 
        43 1  8 SER HA  1  9 LEU QD   7.804 .  8.561 3.223 2.924 3.457     . 0 0 "[    .    1    .    2]" 1 
        44 1  8 SER HA  1 10 GLU H    5.195 .  5.756 3.646 3.507 3.844     . 0 0 "[    .    1    .    2]" 1 
        45 1  8 SER HA  1 43 ILE MD   6.480 .  7.080 3.766 3.262 4.052     . 0 0 "[    .    1    .    2]" 1 
        46 1  8 SER QB  1  9 LEU H    5.152 .  5.712 3.598 3.275 3.768     . 0 0 "[    .    1    .    2]" 1 
        47 1  8 SER QB  1 10 GLU H    5.376 .  5.936 3.314 2.768 3.754     . 0 0 "[    .    1    .    2]" 1 
        48 1  8 SER QB  1 25 TYR QD   5.943 .  6.616 2.820 2.245 3.370     . 0 0 "[    .    1    .    2]" 1 
        49 1  8 SER QB  1 25 TYR QE   6.576 .  7.250 3.520 2.843 4.071     . 0 0 "[    .    1    .    2]" 1 
        50 1  8 SER QB  1 25 TYR H    5.488 .  6.048 4.625 4.202 4.992     . 0 0 "[    .    1    .    2]" 1 
        51 1  8 SER QB  1 25 TYR HA   5.040 .  5.600 2.506 2.130 3.004     . 0 0 "[    .    1    .    2]" 1 
        52 1  8 SER QB  1 25 TYR QD   5.143 .  5.770 2.924 2.297 3.606     . 0 0 "[    .    1    .    2]" 1 
        53 1  8 SER QB  1 25 TYR QE   5.519 .  6.147 3.579 2.852 4.185     . 0 0 "[    .    1    .    2]" 1 
        54 1  9 LEU H   1 25 TYR QD   5.438 .  6.068 4.146 3.980 4.275     . 0 0 "[    .    1    .    2]" 1 
        55 1  9 LEU H   1 43 ILE MD   6.120 .  6.720 3.658 3.352 4.088     . 0 0 "[    .    1    .    2]" 1 
        56 1  9 LEU HA  1 10 GLU H    4.700 .  5.200 3.312 3.133 3.403     . 0 0 "[    .    1    .    2]" 1 
        57 1  9 LEU HA  1 43 ILE MD   5.640 .  6.240 2.581 2.166 3.107     . 0 0 "[    .    1    .    2]" 1 
        58 1  9 LEU HA  1 43 ILE MG   6.720 .  7.320 5.241 4.819 5.640     . 0 0 "[    .    1    .    2]" 1 
        59 1  9 LEU QB  1 10 GLU H    5.488 .  6.048 3.328 3.141 3.586     . 0 0 "[    .    1    .    2]" 1 
        60 1  9 LEU QD  1 10 GLU H    8.100 .  8.775 4.390 4.032 4.499     . 0 0 "[    .    1    .    2]" 1 
        61 1  9 LEU QD  1 10 GLU HA   7.965 .  8.640 5.135 4.729 5.476     . 0 0 "[    .    1    .    2]" 1 
        62 1  9 LEU QD  1 10 GLU QB   8.316 .  9.072 5.421 5.119 5.596     . 0 0 "[    .    1    .    2]" 1 
        63 1  9 LEU QD  1 26 ARG QD   7.862 .  8.618 3.171 2.395 4.623     . 0 0 "[    .    1    .    2]" 1 
        64 1  9 LEU QD  1 39 ASN HA   8.100 .  8.775 4.754 4.166 5.257     . 0 0 "[    .    1    .    2]" 1 
        65 1  9 LEU QD  1 40 CYS H    7.020 .  7.695 4.951 4.671 5.224     . 0 0 "[    .    1    .    2]" 1 
        66 1  9 LEU QD  1 41 THR H    7.965 .  8.640 3.984 3.810 4.311     . 0 0 "[    .    1    .    2]" 1 
        67 1  9 LEU QD  1 41 THR H    8.878 .  9.634 3.485 3.145 3.637     . 0 0 "[    .    1    .    2]" 1 
        68 1  9 LEU QD  1 41 THR HA   5.940 .  6.615 1.989 1.899 2.124     . 0 0 "[    .    1    .    2]" 1 
        69 1  9 LEU QD  1 41 THR HB   6.615 .  7.290 3.305 2.974 3.553     . 0 0 "[    .    1    .    2]" 1 
        70 1  9 LEU QD  1 41 THR MG   7.452 .  8.262 2.582 2.300 3.325     . 0 0 "[    .    1    .    2]" 1 
        71 1  9 LEU QD  1 42 ARG H    7.965 .  8.640 3.378 2.979 3.651     . 0 0 "[    .    1    .    2]" 1 
        72 1  9 LEU QD  1 42 ARG HA   7.020 .  7.695 4.117 3.654 4.281     . 0 0 "[    .    1    .    2]" 1 
        73 1  9 LEU QD  1 42 ARG HA   7.441 .  8.162 4.004 3.603 4.137     . 0 0 "[    .    1    .    2]" 1 
        74 1  9 LEU QD  1 42 ARG QB   8.618 .  9.374 4.453 4.006 4.663     . 0 0 "[    .    1    .    2]" 1 
        75 1  9 LEU QD  1 43 ILE H    8.100 .  8.775 3.860 3.324 4.118     . 0 0 "[    .    1    .    2]" 1 
        76 1  9 LEU QD  1 43 ILE HA   5.805 .  6.480 3.592 3.016 3.788     . 0 0 "[    .    1    .    2]" 1 
        77 1  9 LEU QD  1 43 ILE HB   6.615 .  7.290 4.802 4.400 4.926     . 0 0 "[    .    1    .    2]" 1 
        78 1  9 LEU QD  1 43 ILE MD   7.128 .  7.938 2.116 1.939 2.440     . 0 0 "[    .    1    .    2]" 1 
        79 1  9 LEU QD  1 43 ILE QG   7.409 .  8.165 2.970 2.552 3.142     . 0 0 "[    .    1    .    2]" 1 
        80 1  9 LEU QD  1 43 ILE MG   8.910 .  9.720 4.484 4.197 4.647     . 0 0 "[    .    1    .    2]" 1 
        81 1  9 LEU QD  1 45 CYS H    7.830 .  8.505 5.632 4.790 5.854     . 0 0 "[    .    1    .    2]" 1 
        82 1  9 LEU QD  1 45 CYS QB   9.072 .  9.828 5.131 4.343 5.439     . 0 0 "[    .    1    .    2]" 1 
        83 1  9 LEU HG  1 41 THR MG   6.840 .  7.440 4.909 3.857 5.353     . 0 0 "[    .    1    .    2]" 1 
        84 1 10 GLU H   1 25 TYR QD   5.438 .  6.068 3.431 3.116 3.745     . 0 0 "[    .    1    .    2]" 1 
        85 1 10 GLU H   1 25 TYR HA   4.600 .  5.100 4.490 4.167 4.636     . 0 0 "[    .    1    .    2]" 1 
        86 1 10 GLU H   1 25 TYR QD   5.600 .  6.160 3.639 3.194 4.140     . 0 0 "[    .    1    .    2]" 1 
        87 1 10 GLU H   1 25 TYR QE   6.048 .  6.608 4.853 4.339 5.404     . 0 0 "[    .    1    .    2]" 1 
        88 1 10 GLU HA  1 11 GLN H    2.600 .  3.100 2.367 2.200 2.610     . 0 0 "[    .    1    .    2]" 1 
        89 1 10 GLU QB  1 11 GLN H    3.472 .  4.032 2.826 2.226 3.271     . 0 0 "[    .    1    .    2]" 1 
        90 1 10 GLU QB  1 26 ARG H    5.670 .  6.300 3.898 3.527 4.182     . 0 0 "[    .    1    .    2]" 1 
        91 1 10 GLU QB  1 25 TYR QD   5.143 .  5.770 2.103 2.015 2.246     . 0 0 "[    .    1    .    2]" 1 
        92 1 10 GLU QB  1 25 TYR QE   4.892 .  5.519 3.007 2.485 3.417     . 0 0 "[    .    1    .    2]" 1 
        93 1 10 GLU QB  1 26 ARG H    5.040 .  5.600 4.542 4.491 4.608     . 0 0 "[    .    1    .    2]" 1 
        94 1 10 GLU QG  1 11 GLN H    3.808 .  4.368 2.673 1.743 3.457     . 0 0 "[    .    1    .    2]" 1 
        95 1 10 GLU QG  1 25 TYR QD   5.810 .  6.517 3.164 2.620 3.681     . 0 0 "[    .    1    .    2]" 1 
        96 1 10 GLU QG  1 25 TYR QD   6.523 .  7.150 3.621 2.660 4.219     . 0 0 "[    .    1    .    2]" 1 
        97 1 10 GLU QG  1 25 TYR QE   5.268 .  5.896 4.082 3.202 4.235     . 0 0 "[    .    1    .    2]" 1 
        98 1 11 GLN H   1 12 CYS H    5.000 .  5.500 4.463 4.272 4.567     . 0 0 "[    .    1    .    2]" 1 
        99 1 11 GLN H   1 25 TYR QD   4.816 .  5.376 4.282 4.063 4.399     . 0 0 "[    .    1    .    2]" 1 
       100 1 11 GLN H   1 51 ILE MD   6.720 .  7.320 4.225 2.960 4.793     . 0 0 "[    .    1    .    2]" 1 
       101 1 11 GLN H   1 51 ILE QG   5.824 .  6.384 3.462 2.851 5.230     . 0 0 "[    .    1    .    2]" 1 
       102 1 11 GLN H   1 51 ILE QG   7.194 .  7.848 3.310 2.760 4.503     . 0 0 "[    .    1    .    2]" 1 
       103 1 11 GLN H   1 51 ILE MG   6.480 .  7.080 4.463 3.685 4.982     . 0 0 "[    .    1    .    2]" 1 
       104 1 11 GLN HA  1 12 CYS H    2.900 .  3.400 2.130 2.073 2.180     . 0 0 "[    .    1    .    2]" 1 
       105 1 11 GLN HA  1 26 ARG H    4.400 .  4.900 2.446 2.265 2.729     . 0 0 "[    .    1    .    2]" 1 
       106 1 11 GLN HA  1 26 ARG QB   5.040 .  5.600 2.661 2.245 3.600     . 0 0 "[    .    1    .    2]" 1 
       107 1 11 GLN QB  1 12 CYS H    3.920 .  4.480 3.333 2.680 3.611     . 0 0 "[    .    1    .    2]" 1 
       108 1 11 GLN QB  1 28 ALA MB   7.526 .  8.198 4.878 4.489 5.519     . 0 0 "[    .    1    .    2]" 1 
       109 1 11 GLN QB  1 67 LEU QD   6.876 .  7.758 2.702 2.023 3.352     . 0 0 "[    .    1    .    2]" 1 
       110 1 11 GLN QB  1 38 ALA MB   7.476 .  8.232 3.162 2.263 3.813     . 0 0 "[    .    1    .    2]" 1 
       111 1 11 GLN QB  1 51 ILE MD   6.854 .  7.526 2.446 2.015 3.249     . 0 0 "[    .    1    .    2]" 1 
       112 1 11 GLN QB  1 51 ILE MD   7.294 .  8.051 1.989 1.832 2.356     . 0 0 "[    .    1    .    2]" 1 
       113 1 11 GLN QB  1 51 ILE QG   6.272 .  6.899 2.553 2.039 3.874     . 0 0 "[    .    1    .    2]" 1 
       114 1 11 GLN QB  1 51 ILE QG   7.040 .  7.747 2.275 1.992 2.770     . 0 0 "[    .    1    .    2]" 1 
       115 1 11 GLN QB  1 51 ILE MG   6.451 .  7.123 4.414 3.758 4.815     . 0 0 "[    .    1    .    2]" 1 
       116 1 11 GLN QB  1 67 LEU QD   6.804 .  7.560 3.310 2.568 3.784     . 0 0 "[    .    1    .    2]" 1 
       117 1 11 GLN QE  1 12 CYS H    5.712 .  6.272 4.123 2.657 4.978     . 0 0 "[    .    1    .    2]" 1 
       118 1 11 GLN QE  1 27 HIS H    5.600 .  6.160 4.355 3.388 5.107     . 0 0 "[    .    1    .    2]" 1 
       119 1 11 GLN QE  1 27 HIS HA   5.600 .  6.160 3.505 2.961 4.183     . 0 0 "[    .    1    .    2]" 1 
       120 1 11 GLN QE  1 28 ALA H    3.696 .  4.256 2.928 2.321 3.351     . 0 0 "[    .    1    .    2]" 1 
       121 1 11 GLN QE  1 28 ALA MB   6.720 .  7.392 2.530 1.994 3.013     . 0 0 "[    .    1    .    2]" 1 
       122 1 11 GLN QE  1 51 ILE MD   7.795 .  8.467 3.966 2.485 5.750     . 0 0 "[    .    1    .    2]" 1 
       123 1 11 GLN QG  1 12 CYS H    5.488 .  6.048 2.802 2.064 3.995     . 0 0 "[    .    1    .    2]" 1 
       124 1 11 GLN QG  1 51 ILE MD   8.232 .  8.989 3.202 2.308 4.014     . 0 0 "[    .    1    .    2]" 1 
       125 1 11 GLN QG  1 67 LEU QD   9.138 .  9.987 2.922 2.070 3.701     . 0 0 "[    .    1    .    2]" 1 
       126 1 11 GLN QG  1 26 ARG H    5.264 .  5.824 3.736 2.702 4.373     . 0 0 "[    .    1    .    2]" 1 
       127 1 11 GLN QG  1 26 ARG HA   5.152 .  5.712 4.377 3.953 4.769     . 0 0 "[    .    1    .    2]" 1 
       128 1 11 GLN QG  1 27 HIS H    5.600 .  6.160 4.274 3.610 5.070     . 0 0 "[    .    1    .    2]" 1 
       129 1 11 GLN QG  1 28 ALA MB   8.064 .  8.736 4.132 3.514 5.267     . 0 0 "[    .    1    .    2]" 1 
       130 1 11 GLN QG  1 51 ILE MD   7.123 .  7.795 3.293 2.314 4.380     . 0 0 "[    .    1    .    2]" 1 
       131 1 11 GLN QG  1 67 LEU QD   8.165 .  8.921 3.153 2.077 4.127     . 0 0 "[    .    1    .    2]" 1 
       132 1 12 CYS H   1 25 TYR H    4.900 .  5.400 5.054 4.984 5.155     . 0 0 "[    .    1    .    2]" 1 
       133 1 12 CYS H   1 25 TYR QB   5.264 .  5.824 2.472 2.335 2.687     . 0 0 "[    .    1    .    2]" 1 
       134 1 12 CYS H   1 25 TYR QD   6.160 .  6.720 4.454 4.016 4.722     . 0 0 "[    .    1    .    2]" 1 
       135 1 12 CYS H   1 26 ARG H    4.600 .  5.100 3.619 3.459 3.790     . 0 0 "[    .    1    .    2]" 1 
       136 1 12 CYS H   1 27 HIS HA   5.000 .  5.500 3.517 3.322 3.661     . 0 0 "[    .    1    .    2]" 1 
       137 1 12 CYS HA  1 13 LYS H    2.700 .  3.200 2.295 2.154 2.444     . 0 0 "[    .    1    .    2]" 1 
       138 1 12 CYS HA  1 13 LYS QB   5.152 .  5.712 4.317 3.811 4.574     . 0 0 "[    .    1    .    2]" 1 
       139 1 12 CYS HA  1 13 LYS QG   5.936 .  6.496 4.057 3.518 5.360     . 0 0 "[    .    1    .    2]" 1 
       140 1 12 CYS HA  1 14 PHE H    4.900 .  5.400 4.217 4.016 4.546     . 0 0 "[    .    1    .    2]" 1 
       141 1 12 CYS HA  1 15 GLY H    6.000 .  6.500 5.206 4.760 5.427     . 0 0 "[    .    1    .    2]" 1 
       142 1 12 CYS HA  1 25 TYR QD   6.048 .  6.608 3.891 2.782 4.521     . 0 0 "[    .    1    .    2]" 1 
       143 1 12 CYS HA  1 27 HIS HD2  4.800 .  5.300 5.033 5.000 5.109     . 0 0 "[    .    1    .    2]" 1 
       144 1 12 CYS QB  1 13 LYS H    5.824 .  6.384 3.322 2.964 3.825     . 0 0 "[    .    1    .    2]" 1 
       145 1 12 CYS QB  1 14 PHE H    5.712 .  6.272 3.232 2.871 3.686     . 0 0 "[    .    1    .    2]" 1 
       146 1 12 CYS QB  1 15 GLY H    4.032 .  4.592 3.022 2.620 3.597     . 0 0 "[    .    1    .    2]" 1 
       147 1 12 CYS QB  1 25 TYR QD   5.143 .  5.770 3.693 2.919 4.104     . 0 0 "[    .    1    .    2]" 1 
       148 1 12 CYS QB  1 26 ARG H    5.152 .  5.712 4.564 4.416 4.675     . 0 0 "[    .    1    .    2]" 1 
       149 1 12 CYS QB  1 27 HIS H    5.376 .  5.936 4.831 4.741 4.874     . 0 0 "[    .    1    .    2]" 1 
       150 1 12 CYS QB  1 27 HIS HA   5.152 .  5.712 3.041 2.860 3.355     . 0 0 "[    .    1    .    2]" 1 
       151 1 12 CYS QB  1 27 HIS HD2  4.032 .  4.592 2.194 2.130 2.335     . 0 0 "[    .    1    .    2]" 1 
       152 1 12 CYS QB  1 51 ILE MD   7.258 .  7.930 4.906 4.441 5.406     . 0 0 "[    .    1    .    2]" 1 
       153 1 13 LYS HA  1 14 PHE H    4.400 .  4.900 3.452 3.325 3.573     . 0 0 "[    .    1    .    2]" 1 
       154 1 13 LYS HA  1 51 ILE MD   5.640 .  6.240 3.045 2.045 4.384     . 0 0 "[    .    1    .    2]" 1 
       155 1 13 LYS HA  1 51 ILE MG   6.240 .  6.840 4.051 3.585 4.535     . 0 0 "[    .    1    .    2]" 1 
       156 1 13 LYS QB  1 14 PHE H    4.816 .  5.376 3.416 2.717 3.998     . 0 0 "[    .    1    .    2]" 1 
       157 1 13 LYS QB  1 14 PHE QD   6.147 .  6.774 3.554 2.416 4.760     . 0 0 "[    .    1    .    2]" 1 
       158 1 13 LYS QD  1 14 PHE QD   5.770 .  6.397 4.436 3.996 4.605     . 0 0 "[    .    1    .    2]" 1 
       159 1 13 LYS QE  1 14 PHE QD   5.645 .  6.272 4.486 4.317 4.541     . 0 0 "[    .    1    .    2]" 1 
       160 1 13 LYS QE  1 51 ILE MG   6.720 .  7.392 4.469 3.177 5.004     . 0 0 "[    .    1    .    2]" 1 
       161 1 13 LYS QG  1 14 PHE H    5.488 .  6.048 3.771 2.673 4.519     . 0 0 "[    .    1    .    2]" 1 
       162 1 13 LYS QG  1 51 ILE MG   6.854 .  7.526 3.896 2.329 5.119     . 0 0 "[    .    1    .    2]" 1 
       163 1 14 PHE H   1 15 GLY H    2.800 .  3.300 2.476 2.295 2.783     . 0 0 "[    .    1    .    2]" 1 
       164 1 14 PHE H   1 15 GLY QA   5.264 .  5.824 4.348 4.196 4.594     . 0 0 "[    .    1    .    2]" 1 
       165 1 14 PHE H   1 18 CYS HA   4.700 .  5.200 4.768 4.099 4.923     . 0 0 "[    .    1    .    2]" 1 
       166 1 14 PHE H   1 27 HIS HD2  4.900 .  5.400 4.187 3.796 4.595     . 0 0 "[    .    1    .    2]" 1 
       167 1 14 PHE HA  1 15 GLY H    4.500 .  5.000 3.379 3.220 3.470     . 0 0 "[    .    1    .    2]" 1 
       168 1 14 PHE QB  1 15 GLY H    5.264 .  5.824 3.411 3.233 3.634     . 0 0 "[    .    1    .    2]" 1 
       169 1 14 PHE QB  1 17 HIS H    5.600 .  6.160 3.767 3.556 4.203     . 0 0 "[    .    1    .    2]" 1 
       170 1 14 PHE QB  1 17 HIS HD2  5.152 .  5.712 3.069 2.668 3.466     . 0 0 "[    .    1    .    2]" 1 
       171 1 14 PHE QB  1 18 CYS H    4.368 .  4.928 3.126 2.921 3.611     . 0 0 "[    .    1    .    2]" 1 
       172 1 14 PHE QB  1 18 CYS HA   5.600 .  6.160 2.300 2.109 2.512     . 0 0 "[    .    1    .    2]" 1 
       173 1 14 PHE QB  1 18 CYS QB   5.268 .  5.896 2.381 2.221 3.088     . 0 0 "[    .    1    .    2]" 1 
       174 1 14 PHE QD  1 15 GLY H    5.600 .  6.160 4.758 4.623 4.911     . 0 0 "[    .    1    .    2]" 1 
       175 1 14 PHE QD  1 17 HIS QB   5.770 .  6.397 3.838 3.082 4.603     . 0 0 "[    .    1    .    2]" 1 
       176 1 14 PHE QD  1 17 HIS QB   6.546 .  7.252 3.405 3.028 4.035     . 0 0 "[    .    1    .    2]" 1 
       177 1 14 PHE QD  1 18 CYS HA   6.048 .  6.608 3.554 2.524 4.158     . 0 0 "[    .    1    .    2]" 1 
       178 1 14 PHE QD  1 18 CYS QB   5.896 .  6.523 4.008 3.373 4.680     . 0 0 "[    .    1    .    2]" 1 
       179 1 14 PHE QD  1 19 THR MG   8.333 .  9.005 5.006 4.060 6.023     . 0 0 "[    .    1    .    2]" 1 
       180 1 15 GLY H   1 27 HIS HD2  4.400 .  4.900 3.364 2.801 4.060     . 0 0 "[    .    1    .    2]" 1 
       181 1 15 GLY H   1 67 LEU QD   8.235 .  8.910 2.554 2.310 3.023     . 0 0 "[    .    1    .    2]" 1 
       182 1 15 GLY QA  1 16 THR MG   8.198 .  8.870 3.728 3.660 3.815     . 0 0 "[    .    1    .    2]" 1 
       183 1 15 GLY QA  1 27 HIS HD2  4.928 .  5.488 3.386 2.926 3.982     . 0 0 "[    .    1    .    2]" 1 
       184 1 15 GLY QA  1 28 ALA H    6.048 .  6.608 2.414 2.042 2.842     . 0 0 "[    .    1    .    2]" 1 
       185 1 15 GLY QA  1 28 ALA MB   7.123 .  7.795 2.820 2.293 3.249     . 0 0 "[    .    1    .    2]" 1 
       186 1 15 GLY QA  1 67 LEU QD   7.560 .  8.316 2.244 2.027 2.581     . 0 0 "[    .    1    .    2]" 1 
       187 1 16 THR H   1 17 HIS H    3.700 .  4.200 2.715 2.645 2.789     . 0 0 "[    .    1    .    2]" 1 
       188 1 16 THR HA  1 17 HIS H    3.700 .  4.200 3.488 3.444 3.521     . 0 0 "[    .    1    .    2]" 1 
       189 1 16 THR HA  1 18 CYS H    4.400 .  4.900 3.842 3.558 4.090     . 0 0 "[    .    1    .    2]" 1 
       190 1 16 THR MG  1 17 HIS H    6.960 .  7.560 4.204 4.091 4.305     . 0 0 "[    .    1    .    2]" 1 
       191 1 16 THR MG  1 27 HIS QB   7.661 .  8.333 4.882 3.979 5.614     . 0 0 "[    .    1    .    2]" 1 
       192 1 16 THR MG  1 28 ALA MB   7.200 .  7.920 3.870 2.477 4.637     . 0 0 "[    .    1    .    2]" 1 
       193 1 16 THR MG  1 29 ARG HA   5.160 .  5.760 2.188 2.041 2.422     . 0 0 "[    .    1    .    2]" 1 
       194 1 16 THR MG  1 29 ARG QB   6.720 .  7.392 3.450 2.518 4.124     . 0 0 "[    .    1    .    2]" 1 
       195 1 16 THR MG  1 29 ARG QB   7.506 .  8.262 2.875 2.114 3.772     . 0 0 "[    .    1    .    2]" 1 
       196 1 16 THR MG  1 29 ARG QD   6.989 .  7.661 3.880 2.093 5.199     . 0 0 "[    .    1    .    2]" 1 
       197 1 16 THR MG  1 29 ARG QG   7.123 .  7.795 3.209 2.165 4.645     . 0 0 "[    .    1    .    2]" 1 
       198 1 16 THR MG  1 67 LEU QD  10.044 . 10.854 4.748 3.939 5.208     . 0 0 "[    .    1    .    2]" 1 
       199 1 17 HIS H   1 18 CYS H    2.900 .  3.400 2.573 2.479 2.651     . 0 0 "[    .    1    .    2]" 1 
       200 1 17 HIS H   1 18 CYS HA   5.000 .  5.500 4.904 4.612 5.042     . 0 0 "[    .    1    .    2]" 1 
       201 1 17 HIS H   1 18 CYS QB   5.488 .  6.048 4.269 4.114 4.433     . 0 0 "[    .    1    .    2]" 1 
       202 1 17 HIS HA  1 18 CYS H    4.100 .  4.600 3.318 3.060 3.452     . 0 0 "[    .    1    .    2]" 1 
       203 1 17 HIS HA  1 19 THR MG   6.480 .  7.080 4.481 3.806 4.920     . 0 0 "[    .    1    .    2]" 1 
       204 1 17 HIS QB  1 18 CYS H    5.040 .  5.600 3.569 3.455 4.080     . 0 0 "[    .    1    .    2]" 1 
       205 1 17 HIS HD2 1 18 CYS HA   4.600 .  5.100 4.582 4.217 4.633     . 0 0 "[    .    1    .    2]" 1 
       206 1 17 HIS HD2 1 19 THR MG   7.440 .  8.040 4.284 3.718 5.151     . 0 0 "[    .    1    .    2]" 1 
       207 1 18 CYS H   1 19 THR H    5.200 .  5.700 4.630 4.588 4.685     . 0 0 "[    .    1    .    2]" 1 
       208 1 18 CYS H   1 19 THR MG   5.880 .  6.480 4.879 4.580 4.957     . 0 0 "[    .    1    .    2]" 1 
       209 1 18 CYS HA  1 19 THR H    3.100 .  3.600 2.236 2.161 2.315     . 0 0 "[    .    1    .    2]" 1 
       210 1 18 CYS HA  1 19 THR MG   6.840 .  7.440 3.411 3.194 3.800     . 0 0 "[    .    1    .    2]" 1 
       211 1 18 CYS HA  1 20 ASN H    4.400 .  4.900 4.165 3.947 4.332     . 0 0 "[    .    1    .    2]" 1 
       212 1 18 CYS HA  1 27 HIS HD2  4.800 .  5.300 4.948 4.879 4.987     . 0 0 "[    .    1    .    2]" 1 
       213 1 18 CYS QB  1 19 THR MG   7.661 .  8.333 4.786 4.676 4.947     . 0 0 "[    .    1    .    2]" 1 
       214 1 18 CYS QB  1 27 HIS HD2  4.256 .  4.816 2.399 2.253 2.513     . 0 0 "[    .    1    .    2]" 1 
       215 1 19 THR H   1 20 ASN H    3.200 .  3.700 2.545 2.125 2.797     . 0 0 "[    .    1    .    2]" 1 
       216 1 19 THR HA  1 20 ASN H    3.400 .  3.900 3.375 3.212 3.484     . 0 0 "[    .    1    .    2]" 1 
       217 1 19 THR MG  1 20 ASN H    6.600 .  7.200 4.355 4.242 4.516     . 0 0 "[    .    1    .    2]" 1 
       218 1 20 ASN H   1 23 CYS QB   5.376 .  5.936 4.058 3.492 5.096     . 0 0 "[    .    1    .    2]" 1 
       219 1 20 ASN HA  1 21 LYS H    3.400 .  3.900 2.156 2.109 2.241     . 0 0 "[    .    1    .    2]" 1 
       220 1 20 ASN QB  1 23 CYS H    4.592 .  5.152 3.886 3.709 4.118     . 0 0 "[    .    1    .    2]" 1 
       221 1 20 ASN QD  1 22 ARG H    5.824 .  6.384 3.263 2.307 3.813     . 0 0 "[    .    1    .    2]" 1 
       222 1 20 ASN QD  1 22 ARG QD   6.397 .  7.025 4.611 3.556 5.132     . 0 0 "[    .    1    .    2]" 1 
       223 1 20 ASN QD  1 23 CYS HA   5.152 .  5.712 2.875 2.244 3.451     . 0 0 "[    .    1    .    2]" 1 
       224 1 20 ASN QD  1 23 CYS QB   5.143 .  5.770 2.912 2.144 3.241     . 0 0 "[    .    1    .    2]" 1 
       225 1 20 ASN QD  1 24 LYS H    5.824 .  6.384 4.452 3.650 5.057     . 0 0 "[    .    1    .    2]" 1 
       226 1 21 LYS H   1 22 ARG QG   5.824 .  6.384 3.987 3.572 4.871     . 0 0 "[    .    1    .    2]" 1 
       227 1 21 LYS HA  1 22 ARG H    3.300 .  3.800 3.344 3.280 3.398     . 0 0 "[    .    1    .    2]" 1 
       228 1 21 LYS QB  1 22 ARG H    5.152 .  5.712 3.278 3.024 3.452     . 0 0 "[    .    1    .    2]" 1 
       229 1 22 ARG H   1 23 CYS H    2.900 .  3.400 2.444 2.051 2.907     . 0 0 "[    .    1    .    2]" 1 
       230 1 22 ARG H   1 23 CYS QB   5.376 .  5.936 3.824 3.393 4.598     . 0 0 "[    .    1    .    2]" 1 
       231 1 22 ARG HA  1 23 CYS H    3.200 .  3.700 3.026 2.752 3.229     . 0 0 "[    .    1    .    2]" 1 
       232 1 22 ARG QB  1 23 CYS H    5.040 .  5.600 3.730 3.360 4.028     . 0 0 "[    .    1    .    2]" 1 
       233 1 22 ARG QG  1 23 CYS H    5.488 .  6.048 4.296 3.280 4.754     . 0 0 "[    .    1    .    2]" 1 
       234 1 23 CYS H   1 24 LYS H    4.900 .  5.400 4.596 4.473 4.632     . 0 0 "[    .    1    .    2]" 1 
       235 1 23 CYS H   1 27 HIS CE1  4.500 .  5.000 4.696 4.197 4.848     . 0 0 "[    .    1    .    2]" 1 
       236 1 23 CYS HA  1 24 LYS H    2.700 .  3.200 2.157 1.977 2.254     . 0 0 "[    .    1    .    2]" 1 
       237 1 23 CYS HA  1 25 TYR H    4.400 .  4.900 4.218 3.690 4.442     . 0 0 "[    .    1    .    2]" 1 
       238 1 23 CYS HA  1 27 HIS CE1  4.800 .  5.300 5.106 5.044 5.229     . 0 0 "[    .    1    .    2]" 1 
       239 1 23 CYS QB  1 24 LYS H    5.376 .  5.936 3.391 2.812 3.669     . 0 0 "[    .    1    .    2]" 1 
       240 1 23 CYS QB  1 27 HIS CE1  3.584 .  4.144 2.634 2.420 3.294     . 0 0 "[    .    1    .    2]" 1 
       241 1 24 LYS H   1 25 TYR H    3.100 .  3.600 2.897 2.674 3.118     . 0 0 "[    .    1    .    2]" 1 
       242 1 24 LYS H   1 25 TYR QD   6.048 .  6.608 3.098 2.692 4.161     . 0 0 "[    .    1    .    2]" 1 
       243 1 24 LYS H   1 25 TYR QE   4.816 .  5.376 3.461 2.530 4.310     . 0 0 "[    .    1    .    2]" 1 
       244 1 24 LYS HA  1 25 TYR H    3.500 .  4.000 3.256 2.795 3.394     . 0 0 "[    .    1    .    2]" 1 
       245 1 24 LYS HA  1 25 TYR QE   5.600 .  6.160 5.114 5.072 5.157     . 0 0 "[    .    1    .    2]" 1 
       246 1 24 LYS QB  1 25 TYR H    5.040 .  5.600 3.544 3.146 4.062     . 0 0 "[    .    1    .    2]" 1 
       247 1 24 LYS QB  1 25 TYR QD   6.021 .  6.648 3.258 2.725 4.775     . 0 0 "[    .    1    .    2]" 1 
       248 1 24 LYS QB  1 25 TYR QE   5.645 .  6.272 2.697 2.316 4.461     . 0 0 "[    .    1    .    2]" 1 
       249 1 24 LYS QD  1 25 TYR QE   6.272 .  6.899 4.305 2.671 4.990     . 0 0 "[    .    1    .    2]" 1 
       250 1 24 LYS QE  1 25 TYR QE   5.394 .  6.021 3.278 2.383 4.298     . 0 0 "[    .    1    .    2]" 1 
       251 1 24 LYS QG  1 25 TYR H    5.264 .  5.824 4.463 3.922 4.728     . 0 0 "[    .    1    .    2]" 1 
       252 1 24 LYS QG  1 25 TYR QD   7.526 .  8.154 4.538 3.658 5.039     . 0 0 "[    .    1    .    2]" 1 
       253 1 24 LYS QG  1 25 TYR QE   5.770 .  6.397 3.933 2.752 4.493     . 0 0 "[    .    1    .    2]" 1 
       254 1 25 TYR H   1 26 ARG H    4.700 .  5.200 4.492 4.437 4.541     . 0 0 "[    .    1    .    2]" 1 
       255 1 25 TYR H   1 27 HIS CE1  3.800 .  4.300 3.790 3.569 4.040     . 0 0 "[    .    1    .    2]" 1 
       256 1 25 TYR HA  1 26 ARG H    3.100 .  3.600 2.422 2.310 2.527     . 0 0 "[    .    1    .    2]" 1 
       257 1 25 TYR QB  1 26 ARG H    3.472 .  4.032 2.486 2.248 2.818     . 0 0 "[    .    1    .    2]" 1 
       258 1 25 TYR QB  1 27 HIS CE1  4.704 .  5.264 4.152 3.891 4.292     . 0 0 "[    .    1    .    2]" 1 
       259 1 25 TYR QD  1 26 ARG H    5.152 .  5.712 3.942 3.621 4.418     . 0 0 "[    .    1    .    2]" 1 
       260 1 26 ARG H   1 27 HIS H    4.700 .  5.200 4.645 4.594 4.725     . 0 0 "[    .    1    .    2]" 1 
       261 1 26 ARG HA  1 27 HIS H    2.800 .  3.300 2.230 2.126 2.345     . 0 0 "[    .    1    .    2]" 1 
       262 1 26 ARG QB  1 27 HIS H    3.808 .  4.368 2.820 2.428 3.482     . 0 0 "[    .    1    .    2]" 1 
       263 1 26 ARG QB  1 67 LEU QD   9.138 .  9.987 4.809 4.497 5.166     . 0 0 "[    .    1    .    2]" 1 
       264 1 26 ARG QB  1 67 LEU QD   8.165 .  8.921 5.170 4.837 5.432     . 0 0 "[    .    1    .    2]" 1 
       265 1 26 ARG QD  1 43 ILE MD   7.526 .  8.198 2.501 2.010 3.511     . 0 0 "[    .    1    .    2]" 1 
       266 1 26 ARG QD  1 43 ILE MD   8.716 .  9.473 2.493 2.009 3.472     . 0 0 "[    .    1    .    2]" 1 
       267 1 27 HIS H   1 28 ALA H    4.600 .  5.100 4.368 4.174 4.456     . 0 0 "[    .    1    .    2]" 1 
       268 1 27 HIS HA  1 28 ALA H    2.800 .  3.300 2.215 2.183 2.250     . 0 0 "[    .    1    .    2]" 1 
       269 1 27 HIS HA  1 28 ALA MB   6.480 .  7.080 4.087 4.035 4.122     . 0 0 "[    .    1    .    2]" 1 
       270 1 27 HIS QB  1 28 ALA H    5.824 .  6.384 3.349 3.162 3.541     . 0 0 "[    .    1    .    2]" 1 
       271 1 27 HIS QB  1 28 ALA MB   7.795 .  8.467 4.582 4.420 4.733     . 0 0 "[    .    1    .    2]" 1 
       272 1 27 HIS QB  1 28 ALA MB   8.747 .  9.503 4.261 4.099 4.374     . 0 0 "[    .    1    .    2]" 1 
       273 1 27 HIS QB  1 28 ALA MB   8.747 .  9.503 3.304 2.820 3.840     . 0 0 "[    .    1    .    2]" 1 
       274 1 27 HIS QB  1 67 LEU QD   9.070 .  9.919 4.023 3.692 4.386     . 0 0 "[    .    1    .    2]" 1 
       275 1 27 HIS QB  1 67 LEU QD   8.014 .  8.770 4.706 4.075 5.167     . 0 0 "[    .    1    .    2]" 1 
       276 1 27 HIS HD2 1 28 ALA MB   7.320 .  7.920 5.916 5.530 6.182     . 0 0 "[    .    1    .    2]" 1 
       277 1 28 ALA H   1 29 ARG H    5.100 .  5.600 4.487 4.095 4.697     . 0 0 "[    .    1    .    2]" 1 
       278 1 28 ALA HA  1 29 ARG H    2.800 .  3.300 2.172 2.113 2.292     . 0 0 "[    .    1    .    2]" 1 
       279 1 28 ALA HA  1 30 SER H    4.500 .  5.000 3.578 3.350 3.908     . 0 0 "[    .    1    .    2]" 1 
       280 1 28 ALA HA  1 46 LEU HA   5.000 .  5.500 3.691 3.244 4.143     . 0 0 "[    .    1    .    2]" 1 
       281 1 28 ALA HA  1 46 LEU QD   7.695 .  8.370 5.105 4.395 5.714     . 0 0 "[    .    1    .    2]" 1 
       282 1 28 ALA MB  1 29 ARG H    4.920 .  5.520 3.208 2.677 3.584     . 0 0 "[    .    1    .    2]" 1 
       283 1 28 ALA MB  1 29 ARG HA   6.360 .  6.960 4.257 4.059 4.436     . 0 0 "[    .    1    .    2]" 1 
       284 1 28 ALA MB  1 29 ARG QB   8.368 .  9.125 4.192 4.041 4.357     . 0 0 "[    .    1    .    2]" 1 
       285 1 28 ALA MB  1 29 ARG QG   7.930 .  8.602 4.766 4.188 5.782     . 0 0 "[    .    1    .    2]" 1 
       286 1 28 ALA MB  1 29 ARG QG   8.368 .  9.125 4.121 3.849 4.561     . 0 0 "[    .    1    .    2]" 1 
       287 1 28 ALA MB  1 30 SER H    5.040 .  5.640 3.778 3.197 4.178     . 0 0 "[    .    1    .    2]" 1 
       288 1 28 ALA MB  1 46 LEU HA   6.840 .  7.440 5.076 4.684 5.509     . 0 0 "[    .    1    .    2]" 1 
       289 1 28 ALA MB  1 46 LEU QD   9.882 . 10.692 5.704 5.195 6.116     . 0 0 "[    .    1    .    2]" 1 
       290 1 28 ALA MB  1 47 PHE HA   7.200 .  7.800 4.136 3.564 4.886     . 0 0 "[    .    1    .    2]" 1 
       291 1 28 ALA MB  1 48 GLY H    7.080 .  7.680 3.617 3.278 4.107     . 0 0 "[    .    1    .    2]" 1 
       292 1 28 ALA MB  1 48 GLY QA   5.914 .  6.586 2.265 2.038 2.701     . 0 0 "[    .    1    .    2]" 1 
       293 1 28 ALA MB  1 49 HIS H    6.480 .  7.080 3.423 2.876 3.877     . 0 0 "[    .    1    .    2]" 1 
       294 1 28 ALA MB  1 66 CYS H    7.200 .  7.800 6.114 6.042 6.247     . 0 0 "[    .    1    .    2]" 1 
       295 1 28 ALA MB  1 67 LEU QB   7.392 .  8.064 4.576 4.351 4.858     . 0 0 "[    .    1    .    2]" 1 
       296 1 28 ALA MB  1 67 LEU QD   8.748 .  9.558 1.954 1.835 2.237     . 0 0 "[    .    1    .    2]" 1 
       297 1 29 ARG H   1 30 SER H    2.800 .  3.300 1.937 1.640 2.201     . 0 0 "[    .    1    .    2]" 1 
       298 1 29 ARG H   1 46 LEU QB   3.808 .  4.368 3.005 2.401 3.437     . 0 0 "[    .    1    .    2]" 1 
       299 1 29 ARG H   1 46 LEU QD   7.290 .  7.965 4.164 3.638 4.619     . 0 0 "[    .    1    .    2]" 1 
       300 1 29 ARG H   1 67 LEU QD   7.425 .  8.100 5.338 5.147 5.595     . 0 0 "[    .    1    .    2]" 1 
       301 1 29 ARG HA  1 30 SER H    4.600 .  5.100 3.412 3.199 3.538     . 0 0 "[    .    1    .    2]" 1 
       302 1 29 ARG HA  1 46 LEU QD   7.830 .  8.505 5.047 4.743 5.434     . 0 0 "[    .    1    .    2]" 1 
       303 1 29 ARG QB  1 46 LEU QD   7.371 .  8.221 2.512 2.091 2.943     . 0 0 "[    .    1    .    2]" 1 
       304 1 29 ARG QB  1 30 SER H    5.040 .  5.600 3.173 2.778 3.585     . 0 0 "[    .    1    .    2]" 1 
       305 1 29 ARG QB  1 46 LEU QB   6.021 .  6.648 2.346 2.136 2.842     . 0 0 "[    .    1    .    2]" 1 
       306 1 29 ARG QB  1 46 LEU QD   7.409 .  8.165 2.629 2.298 3.031     . 0 0 "[    .    1    .    2]" 1 
       307 1 29 ARG QD  1 46 LEU QD   7.106 .  7.862 3.240 2.079 4.705     . 0 0 "[    .    1    .    2]" 1 
       308 1 29 ARG QG  1 30 SER H    5.600 .  6.160 4.355 3.900 4.909     . 0 0 "[    .    1    .    2]" 1 
       309 1 29 ARG QG  1 46 LEU QD   6.502 .  7.258 3.440 2.174 4.302     . 0 0 "[    .    1    .    2]" 1 
       310 1 30 SER H   1 32 ILE H    5.000 .  5.500 4.647 4.248 4.993     . 0 0 "[    .    1    .    2]" 1 
       311 1 30 SER H   1 46 LEU QB   5.824 .  6.384 3.074 2.566 3.592     . 0 0 "[    .    1    .    2]" 1 
       312 1 30 SER H   1 46 LEU QD   7.965 .  8.640 4.395 3.953 4.781     . 0 0 "[    .    1    .    2]" 1 
       313 1 30 SER H   1 48 GLY H    5.100 .  5.600 5.078 4.886 5.210     . 0 0 "[    .    1    .    2]" 1 
       314 1 30 SER QB  1 32 ILE H    4.032 .  4.592 3.201 2.535 3.600     . 0 0 "[    .    1    .    2]" 1 
       315 1 30 SER QB  1 46 LEU QD   7.711 .  8.467 3.859 2.939 5.100     . 0 0 "[    .    1    .    2]" 1 
       316 1 30 SER QB  1 47 PHE HA   5.040 .  5.600 2.642 1.855 2.984     . 0 0 "[    .    1    .    2]" 1 
       317 1 30 SER QB  1 47 PHE QD   5.770 .  6.397 2.485 2.167 3.611     . 0 0 "[    .    1    .    2]" 1 
       318 1 30 SER QB  1 48 GLY H    5.376 .  5.936 4.625 4.278 4.899     . 0 0 "[    .    1    .    2]" 1 
       319 1 31 HIS HA  1 32 ILE H    3.700 .  4.200 3.067 2.707 3.528     . 0 0 "[    .    1    .    2]" 1 
       320 1 31 HIS HA  1 65 TYR QE   5.376 .  5.936 3.197 2.493 4.311     . 0 0 "[    .    1    .    2]" 1 
       321 1 31 HIS QB  1 65 TYR QE   5.645 .  6.272 2.795 2.561 4.003     . 0 0 "[    .    1    .    2]" 1 
       322 1 31 HIS HD2 1 32 ILE MD   6.240 .  6.840 4.827 3.761 5.219     . 0 0 "[    .    1    .    2]" 1 
       323 1 31 HIS HD2 1 65 TYR QE   4.928 .  5.488 4.342 2.922 4.443     . 0 0 "[    .    1    .    2]" 1 
       324 1 31 HIS HE1 1 32 ILE MD   5.280 .  5.880 2.602 2.213 3.934     . 0 0 "[    .    1    .    2]" 1 
       325 1 31 HIS HE1 1 32 ILE MG   5.760 .  6.360 4.863 4.816 4.934     . 0 0 "[    .    1    .    2]" 1 
       326 1 32 ILE H   1 33 MET H    4.900 .  5.400 4.450 4.205 4.687     . 0 0 "[    .    1    .    2]" 1 
       327 1 32 ILE H   1 47 PHE HA   3.500 .  4.000 3.649 3.537 3.780     . 0 0 "[    .    1    .    2]" 1 
       328 1 32 ILE H   1 47 PHE QD   5.936 .  6.496 3.594 2.746 4.897     . 0 0 "[    .    1    .    2]" 1 
       329 1 32 ILE HA  1 33 MET H    2.700 .  3.200 2.211 2.132 2.289     . 0 0 "[    .    1    .    2]" 1 
       330 1 32 ILE HA  1 33 MET QB   5.264 .  5.824 4.190 3.999 4.577     . 0 0 "[    .    1    .    2]" 1 
       331 1 32 ILE HB  1 47 PHE QD   4.480 .  5.040 2.744 2.388 3.456     . 0 0 "[    .    1    .    2]" 1 
       332 1 32 ILE HB  1 47 PHE QE   5.600 .  6.160 3.103 2.652 3.894     . 0 0 "[    .    1    .    2]" 1 
       333 1 32 ILE MD  1 48 GLY H    7.872 .  8.546 4.675 4.184 5.694     . 0 0 "[    .    1    .    2]" 1 
       334 1 32 ILE MD  1 33 MET H    5.760 .  6.360 4.707 3.902 4.952     . 0 0 "[    .    1    .    2]" 1 
       335 1 32 ILE MD  1 47 PHE QD   7.258 .  7.930 4.234 3.407 5.334     . 0 0 "[    .    1    .    2]" 1 
       336 1 32 ILE QG  1 33 MET H    5.712 .  6.272 4.264 3.573 4.944     . 0 0 "[    .    1    .    2]" 1 
       337 1 32 ILE MG  1 33 MET H    4.560 .  5.160 2.465 2.004 3.095     . 0 0 "[    .    1    .    2]" 1 
       338 1 32 ILE MG  1 33 MET HA   6.480 .  7.080 4.002 3.643 4.391     . 0 0 "[    .    1    .    2]" 1 
       339 1 32 ILE MG  1 33 MET QB   6.586 .  7.258 3.935 3.565 4.294     . 0 0 "[    .    1    .    2]" 1 
       340 1 32 ILE MG  1 33 MET QG   7.258 .  7.930 4.947 4.268 5.327     . 0 0 "[    .    1    .    2]" 1 
       341 1 32 ILE MG  1 34 CYS H    7.200 .  7.800 4.668 3.905 5.382     . 0 0 "[    .    1    .    2]" 1 
       342 1 32 ILE MG  1 34 CYS HA   7.440 .  8.040 3.810 2.663 4.808     . 0 0 "[    .    1    .    2]" 1 
       343 1 32 ILE MG  1 47 PHE HA   6.720 .  7.320 4.836 4.129 5.611     . 0 0 "[    .    1    .    2]" 1 
       344 1 32 ILE MG  1 47 PHE QD   6.182 .  6.854 3.409 2.709 4.338     . 0 0 "[    .    1    .    2]" 1 
       345 1 32 ILE MG  1 47 PHE QE   7.795 .  8.467 3.399 2.469 4.505     . 0 0 "[    .    1    .    2]" 1 
       346 1 32 ILE MG  1 48 GLY H    6.960 .  7.560 4.824 4.237 5.796     . 0 0 "[    .    1    .    2]" 1 
       347 1 33 MET H   1 34 CYS H    5.000 .  5.500 4.536 4.456 4.598     . 0 0 "[    .    1    .    2]" 1 
       348 1 33 MET H   1 34 CYS HA   5.100 .  5.600 5.161 4.905 5.226     . 0 0 "[    .    1    .    2]" 1 
       349 1 33 MET H   1 34 CYS HA   5.677 .  6.238 4.840 4.713 4.966     . 0 0 "[    .    1    .    2]" 1 
       350 1 33 MET HA  1 34 CYS H    2.800 .  3.300 2.180 2.086 2.305     . 0 0 "[    .    1    .    2]" 1 
       351 1 33 MET HA  1 34 CYS HA   4.800 .  5.300 4.105 3.916 4.243     . 0 0 "[    .    1    .    2]" 1 
       352 1 33 MET HA  1 48 GLY H    3.500 .  4.000 2.618 2.287 3.599     . 0 0 "[    .    1    .    2]" 1 
       353 1 33 MET HA  1 49 HIS H    5.200 .  5.700 5.204 5.062 5.272     . 0 0 "[    .    1    .    2]" 1 
       354 1 33 MET QB  1 34 CYS H    3.920 .  4.480 3.246 2.501 3.591     . 0 0 "[    .    1    .    2]" 1 
       355 1 33 MET QB  1 34 CYS HA   5.733 .  6.363 3.989 3.892 4.155     . 0 0 "[    .    1    .    2]" 1 
       356 1 33 MET QB  1 48 GLY H    5.824 .  6.384 4.511 4.027 5.010     . 0 0 "[    .    1    .    2]" 1 
       357 1 33 MET ME  1 34 CYS H    6.240 .  6.840 4.241 3.732 4.602     . 0 0 "[    .    1    .    2]" 1 
       358 1 33 MET ME  1 48 GLY H    6.960 .  7.560 4.469 3.750 5.004     . 0 0 "[    .    1    .    2]" 1 
       359 1 33 MET ME  1 49 HIS H    6.960 .  7.560 3.795 3.290 4.581     . 0 0 "[    .    1    .    2]" 1 
       360 1 33 MET ME  1 49 HIS HD2  7.080 .  7.680 5.845 5.550 5.986     . 0 0 "[    .    1    .    2]" 1 
       361 1 33 MET ME  1 50 PRO HA   5.400 .  6.000 2.991 2.340 4.173     . 0 0 "[    .    1    .    2]" 1 
       362 1 33 MET ME  1 50 PRO QD   6.586 .  7.258 3.021 2.235 4.357     . 0 0 "[    .    1    .    2]" 1 
       363 1 33 MET ME  1 51 ILE H    6.600 .  7.200 4.595 3.957 5.529     . 0 0 "[    .    1    .    2]" 1 
       364 1 33 MET ME  1 65 TYR H    6.720 .  7.320 5.195 4.463 5.678     . 0 0 "[    .    1    .    2]" 1 
       365 1 33 MET ME  1 65 TYR HA   6.120 .  6.720 2.984 2.262 3.673     . 0 0 "[    .    1    .    2]" 1 
       366 1 33 MET ME  1 65 TYR QD   7.258 .  7.930 5.215 4.714 5.476     . 0 0 "[    .    1    .    2]" 1 
       367 1 33 MET ME  1 66 CYS H    6.960 .  7.560 3.768 3.285 4.205     . 0 0 "[    .    1    .    2]" 1 
       368 1 33 MET ME  1 67 LEU QD   6.318 .  7.128 2.984 2.116 3.935     . 0 0 "[    .    1    .    2]" 1 
       369 1 33 MET QG  1 34 CYS H    5.292 .  5.922 2.551 2.092 3.043     . 0 0 "[    .    1    .    2]" 1 
       370 1 33 MET QG  1 48 GLY H    5.600 .  6.160 4.008 3.205 4.801     . 0 0 "[    .    1    .    2]" 1 
       371 1 33 MET QG  1 67 LEU QD   7.711 .  8.467 4.744 4.019 5.136     . 0 0 "[    .    1    .    2]" 1 
       372 1 33 MET QG  1 67 LEU QD  10.338 . 11.187 4.463 3.917 4.872     . 0 0 "[    .    1    .    2]" 1 
       373 1 33 MET QG  1 76 LEU QD   9.223 .  9.979 5.658 4.424 6.129     . 0 0 "[    .    1    .    2]" 1 
       374 1 34 CYS H   1 47 PHE QB   4.704 .  5.264 2.896 2.761 3.182     . 0 0 "[    .    1    .    2]" 1 
       375 1 34 CYS H   1 47 PHE QD   5.488 .  6.048 4.394 3.560 4.738     . 0 0 "[    .    1    .    2]" 1 
       376 1 34 CYS H   1 48 GLY H    4.200 .  4.700 3.810 3.603 4.105     . 0 0 "[    .    1    .    2]" 1 
       377 1 34 CYS H   1 48 GLY QA   5.600 .  6.160 3.783 3.600 4.019     . 0 0 "[    .    1    .    2]" 1 
       378 1 34 CYS H   1 49 HIS HD2  4.800 .  5.300 3.854 3.661 4.020     . 0 0 "[    .    1    .    2]" 1 
       379 1 34 CYS HA  1 35 ARG H    3.000 .  3.500 2.233 2.166 2.292     . 0 0 "[    .    1    .    2]" 1 
       380 1 34 CYS HA  1 35 ARG QB   5.040 .  5.600 4.272 4.167 4.421     . 0 0 "[    .    1    .    2]" 1 
       381 1 34 CYS HA  1 35 ARG QG   5.264 .  5.824 4.333 4.135 4.553     . 0 0 "[    .    1    .    2]" 1 
       382 1 34 CYS HA  1 36 GLU H    4.800 .  5.300 4.204 4.045 4.324     . 0 0 "[    .    1    .    2]" 1 
       383 1 34 CYS HA  1 37 GLY H    5.200 .  5.700 4.465 4.276 4.657     . 0 0 "[    .    1    .    2]" 1 
       384 1 34 CYS HA  1 47 PHE QB   4.816 .  5.376 2.944 2.615 3.377     . 0 0 "[    .    1    .    2]" 1 
       385 1 34 CYS HA  1 47 PHE QD   5.376 .  5.936 2.749 2.159 3.537     . 0 0 "[    .    1    .    2]" 1 
       386 1 34 CYS HA  1 49 HIS HD2  4.600 .  5.100 4.730 4.689 4.792     . 0 0 "[    .    1    .    2]" 1 
       387 1 34 CYS QB  1 35 ARG H    5.824 .  6.384 3.434 3.253 3.544     . 0 0 "[    .    1    .    2]" 1 
       388 1 34 CYS QB  1 36 GLU H    5.152 .  5.712 3.360 3.205 3.491     . 0 0 "[    .    1    .    2]" 1 
       389 1 34 CYS QB  1 37 GLY H    4.032 .  4.592 2.606 2.329 2.843     . 0 0 "[    .    1    .    2]" 1 
       390 1 34 CYS QB  1 47 PHE H    5.152 .  5.712 4.479 4.192 4.656     . 0 0 "[    .    1    .    2]" 1 
       391 1 34 CYS QB  1 47 PHE QB   6.272 .  6.899 2.186 2.058 2.328     . 0 0 "[    .    1    .    2]" 1 
       392 1 34 CYS QB  1 47 PHE QD   6.648 .  7.276 3.048 2.871 3.419     . 0 0 "[    .    1    .    2]" 1 
       393 1 34 CYS QB  1 47 PHE QE   6.272 .  6.899 5.015 4.977 5.058     . 0 0 "[    .    1    .    2]" 1 
       394 1 34 CYS QB  1 47 PHE QE   6.670 .  7.344 2.010 1.954 2.099     . 0 0 "[    .    1    .    2]" 1 
       395 1 34 CYS QB  1 49 HIS HD2  5.488 .  6.048 2.011 1.955 2.101     . 0 0 "[    .    1    .    2]" 1 
       396 1 35 ARG H   1 36 GLU H    3.200 .  3.700 2.729 2.603 2.823     . 0 0 "[    .    1    .    2]" 1 
       397 1 35 ARG H   1 47 PHE QD   5.488 .  6.048 3.876 3.221 4.624     . 0 0 "[    .    1    .    2]" 1 
       398 1 35 ARG HA  1 36 GLU H    3.300 .  3.800 3.443 3.412 3.467     . 0 0 "[    .    1    .    2]" 1 
       399 1 35 ARG HA  1 36 GLU HA   4.400 .  4.900 4.512 4.488 4.533     . 0 0 "[    .    1    .    2]" 1 
       400 1 35 ARG QB  1 36 GLU H    4.368 .  4.928 3.600 3.456 3.662     . 0 0 "[    .    1    .    2]" 1 
       401 1 35 ARG QB  1 36 GLU QG   5.519 .  6.147 4.058 3.877 4.207     . 0 0 "[    .    1    .    2]" 1 
       402 1 35 ARG QB  1 37 GLY H    5.600 .  6.160 4.959 4.890 5.015     . 0 0 "[    .    1    .    2]" 1 
       403 1 35 ARG QG  1 36 GLU H    4.816 .  5.376 2.365 2.005 2.474     . 0 0 "[    .    1    .    2]" 1 
       404 1 35 ARG QG  1 36 GLU HA   3.808 .  4.368 3.553 3.509 3.613     . 0 0 "[    .    1    .    2]" 1 
       405 1 35 ARG QG  1 36 GLU QG   5.394 .  6.021 2.150 2.107 2.327     . 0 0 "[    .    1    .    2]" 1 
       406 1 36 GLU H   1 37 GLY H    2.900 .  3.400 2.236 2.114 2.347     . 0 0 "[    .    1    .    2]" 1 
       407 1 36 GLU H   1 40 CYS H    5.520 .  6.081 4.396 4.269 4.460     . 0 0 "[    .    1    .    2]" 1 
       408 1 36 GLU H   1 40 CYS HA   4.800 .  5.300 4.911 4.856 5.003     . 0 0 "[    .    1    .    2]" 1 
       409 1 36 GLU H   1 40 CYS QB   5.264 .  5.824 3.402 3.097 3.629     . 0 0 "[    .    1    .    2]" 1 
       410 1 36 GLU H   1 49 HIS HD2  4.900 .  5.400 4.907 4.762 4.980     . 0 0 "[    .    1    .    2]" 1 
       411 1 36 GLU HA  1 37 GLY H    3.300 .  3.800 3.314 3.261 3.350     . 0 0 "[    .    1    .    2]" 1 
       412 1 36 GLU HA  1 39 ASN H    4.900 .  5.400 4.738 4.644 4.879     . 0 0 "[    .    1    .    2]" 1 
       413 1 36 GLU HA  1 39 ASN QB   5.712 .  6.272 3.850 3.677 4.087     . 0 0 "[    .    1    .    2]" 1 
       414 1 36 GLU HA  1 40 CYS H    5.000 .  5.500 4.822 4.429 5.013     . 0 0 "[    .    1    .    2]" 1 
       415 1 36 GLU QB  1 37 GLY H    4.816 .  5.376 3.380 3.277 3.495     . 0 0 "[    .    1    .    2]" 1 
       416 1 36 GLU QB  1 39 ASN H    5.264 .  5.824 3.594 3.145 3.911     . 0 0 "[    .    1    .    2]" 1 
       417 1 36 GLU QB  1 39 ASN QB   6.147 .  6.774 2.662 2.237 3.214     . 0 0 "[    .    1    .    2]" 1 
       418 1 36 GLU QB  1 40 CYS H    4.592 .  5.152 2.736 2.551 2.889     . 0 0 "[    .    1    .    2]" 1 
       419 1 36 GLU QB  1 40 CYS HA   4.704 .  5.264 2.343 2.203 2.504     . 0 0 "[    .    1    .    2]" 1 
       420 1 36 GLU QB  1 40 CYS QB   5.268 .  5.896 2.149 2.079 2.222     . 0 0 "[    .    1    .    2]" 1 
       421 1 36 GLU QB  1 41 THR H    5.488 .  6.048 4.223 4.015 4.400     . 0 0 "[    .    1    .    2]" 1 
       422 1 36 GLU QB  1 49 HIS HD2  5.936 .  6.496 5.006 4.627 5.318     . 0 0 "[    .    1    .    2]" 1 
       423 1 36 GLU QG  1 37 GLY H    5.040 .  5.600 4.541 4.507 4.594     . 0 0 "[    .    1    .    2]" 1 
       424 1 36 GLU QG  1 40 CYS H    5.264 .  5.824 4.641 4.408 4.749     . 0 0 "[    .    1    .    2]" 1 
       425 1 36 GLU QG  1 40 CYS HA   4.928 .  5.488 3.451 2.821 4.185     . 0 0 "[    .    1    .    2]" 1 
       426 1 36 GLU QG  1 40 CYS QB   5.519 .  6.147 3.974 3.645 4.319     . 0 0 "[    .    1    .    2]" 1 
       427 1 37 GLY H   1 38 ALA H    4.500 .  5.000 4.563 4.530 4.588     . 0 0 "[    .    1    .    2]" 1 
       428 1 37 GLY H   1 38 ALA MB   7.320 .  7.920 5.898 5.870 5.929     . 0 0 "[    .    1    .    2]" 1 
       429 1 37 GLY H   1 39 ASN H    5.100 .  5.600 4.584 4.409 4.743     . 0 0 "[    .    1    .    2]" 1 
       430 1 37 GLY H   1 40 CYS H    4.500 .  5.000 4.444 4.237 4.567     . 0 0 "[    .    1    .    2]" 1 
       431 1 37 GLY H   1 40 CYS QB   5.600 .  6.160 3.543 3.173 3.793     . 0 0 "[    .    1    .    2]" 1 
       432 1 37 GLY QA  1 38 ALA H    3.136 .  3.696 2.112 2.098 2.137     . 0 0 "[    .    1    .    2]" 1 
       433 1 37 GLY QA  1 38 ALA HA   5.376 .  5.936 4.015 3.994 4.032     . 0 0 "[    .    1    .    2]" 1 
       434 1 37 GLY QA  1 38 ALA MB   6.586 .  7.258 3.762 3.737 3.781     . 0 0 "[    .    1    .    2]" 1 
       435 1 37 GLY QA  1 39 ASN H    5.152 .  5.712 3.356 3.263 3.445     . 0 0 "[    .    1    .    2]" 1 
       436 1 37 GLY QA  1 49 HIS QB   6.147 .  6.774 4.451 4.052 4.796     . 0 0 "[    .    1    .    2]" 1 
       437 1 37 GLY QA  1 50 PRO QG   5.896 .  6.523 3.074 2.742 3.585     . 0 0 "[    .    1    .    2]" 1 
       438 1 38 ALA H   1 39 ASN H    3.100 .  3.600 2.699 2.544 2.829     . 0 0 "[    .    1    .    2]" 1 
       439 1 38 ALA H   1 50 PRO QD   5.600 .  6.160 2.812 2.582 3.110     . 0 0 "[    .    1    .    2]" 1 
       440 1 38 ALA H   1 50 PRO QG   5.264 .  5.824 2.726 2.467 3.293     . 0 0 "[    .    1    .    2]" 1 
       441 1 38 ALA HA  1 39 ASN H    3.500 .  4.000 3.355 3.254 3.423     . 0 0 "[    .    1    .    2]" 1 
       442 1 38 ALA HA  1 40 CYS H    4.700 .  5.200 3.547 3.283 3.758     . 0 0 "[    .    1    .    2]" 1 
       443 1 38 ALA HA  1 40 CYS QB   5.936 .  6.496 3.871 3.684 4.006     . 0 0 "[    .    1    .    2]" 1 
       444 1 38 ALA HA  1 49 HIS QB   5.712 .  6.272 3.106 2.553 3.845     . 0 0 "[    .    1    .    2]" 1 
       445 1 38 ALA HA  1 49 HIS HD2  4.700 .  5.200 4.584 4.418 4.728     . 0 0 "[    .    1    .    2]" 1 
       446 1 38 ALA HA  1 50 PRO QD   5.040 .  5.600 3.030 2.475 3.404     . 0 0 "[    .    1    .    2]" 1 
       447 1 38 ALA HA  1 50 PRO QG   5.600 .  6.160 4.071 3.830 4.628     . 0 0 "[    .    1    .    2]" 1 
       448 1 38 ALA MB  1 39 ASN H    4.920 .  5.520 3.368 3.234 3.515     . 0 0 "[    .    1    .    2]" 1 
       449 1 38 ALA MB  1 39 ASN HA   6.840 .  7.440 4.279 4.112 4.355     . 0 0 "[    .    1    .    2]" 1 
       450 1 38 ALA MB  1 39 ASN QB   7.526 .  8.198 4.767 4.051 5.036     . 0 0 "[    .    1    .    2]" 1 
       451 1 38 ALA MB  1 39 ASN QD   7.795 .  8.467 4.422 3.948 5.840     . 0 0 "[    .    1    .    2]" 1 
       452 1 38 ALA MB  1 40 CYS H    6.720 .  7.320 4.510 4.403 4.595     . 0 0 "[    .    1    .    2]" 1 
       453 1 38 ALA MB  1 49 HIS HA   7.440 .  8.040 4.617 4.124 5.080     . 0 0 "[    .    1    .    2]" 1 
       454 1 38 ALA MB  1 49 HIS QB   7.930 .  8.602 3.911 3.572 4.356     . 0 0 "[    .    1    .    2]" 1 
       455 1 38 ALA MB  1 49 HIS HD2  6.600 .  7.200 5.543 5.516 5.594     . 0 0 "[    .    1    .    2]" 1 
       456 1 38 ALA MB  1 50 PRO HA   6.480 .  7.080 4.764 4.615 4.981     . 0 0 "[    .    1    .    2]" 1 
       457 1 38 ALA MB  1 50 PRO QB   6.586 .  7.258 3.219 2.264 3.883     . 0 0 "[    .    1    .    2]" 1 
       458 1 38 ALA MB  1 50 PRO QD   7.123 .  7.795 2.640 2.156 3.071     . 0 0 "[    .    1    .    2]" 1 
       459 1 38 ALA MB  1 50 PRO QG   5.779 .  6.451 2.387 2.148 2.887     . 0 0 "[    .    1    .    2]" 1 
       460 1 39 ASN H   1 40 CYS H    2.700 .  3.200 2.276 2.160 2.385     . 0 0 "[    .    1    .    2]" 1 
       461 1 39 ASN H   1 40 CYS HA   4.700 .  5.200 4.792 4.736 4.825     . 0 0 "[    .    1    .    2]" 1 
       462 1 39 ASN H   1 40 CYS QB   5.376 .  5.936 3.880 3.788 3.959     . 0 0 "[    .    1    .    2]" 1 
       463 1 39 ASN HA  1 40 CYS H    4.400 .  4.900 3.409 3.375 3.446     . 0 0 "[    .    1    .    2]" 1 
       464 1 39 ASN QB  1 40 CYS H    3.696 .  4.256 3.239 3.023 3.342     . 0 0 "[    .    1    .    2]" 1 
       465 1 39 ASN QB  1 41 THR MG   7.930 .  8.602 4.784 4.431 5.385     . 0 0 "[    .    1    .    2]" 1 
       466 1 40 CYS H   1 41 THR H    4.700 .  5.200 4.593 4.536 4.665     . 0 0 "[    .    1    .    2]" 1 
       467 1 40 CYS HA  1 41 THR H    2.700 .  3.200 2.260 2.191 2.340     . 0 0 "[    .    1    .    2]" 1 
       468 1 40 CYS HA  1 41 THR MG   5.760 .  6.360 3.906 3.753 4.014     . 0 0 "[    .    1    .    2]" 1 
       469 1 40 CYS HA  1 42 ARG H    4.400 .  4.900 3.819 3.682 4.010     . 0 0 "[    .    1    .    2]" 1 
       470 1 40 CYS QB  1 41 THR H    5.488 .  6.048 3.839 3.625 3.951     . 0 0 "[    .    1    .    2]" 1 
       471 1 40 CYS QB  1 42 ARG H    5.600 .  6.160 3.678 3.522 3.778     . 0 0 "[    .    1    .    2]" 1 
       472 1 41 THR H   1 42 ARG H    2.900 .  3.400 2.683 2.400 2.766     . 0 0 "[    .    1    .    2]" 1 
       473 1 41 THR H   1 42 ARG HA   4.900 .  5.400 4.889 4.528 4.975     . 0 0 "[    .    1    .    2]" 1 
       474 1 41 THR H   1 42 ARG QB   5.264 .  5.824 3.938 3.527 4.129     . 0 0 "[    .    1    .    2]" 1 
       475 1 41 THR HA  1 42 ARG H    3.200 .  3.700 3.227 3.149 3.276     . 0 0 "[    .    1    .    2]" 1 
       476 1 41 THR HA  1 43 ILE MD   6.480 .  7.080 5.008 4.671 5.138     . 0 0 "[    .    1    .    2]" 1 
       477 1 41 THR MG  1 42 ARG H    6.480 .  7.080 4.422 4.393 4.469     . 0 0 "[    .    1    .    2]" 1 
       478 1 41 THR MG  1 42 ARG QB   8.333 .  9.005 5.427 5.258 5.560     . 0 0 "[    .    1    .    2]" 1 
       479 1 41 THR MG  1 43 ILE MD   8.496 .  9.216 5.896 5.645 5.934     . 0 0 "[    .    1    .    2]" 1 
       480 1 42 ARG H   1 43 ILE H    5.000 .  5.500 4.391 4.282 4.482     . 0 0 "[    .    1    .    2]" 1 
       481 1 42 ARG H   1 45 CYS QB   5.376 .  5.936 4.221 3.838 4.661     . 0 0 "[    .    1    .    2]" 1 
       482 1 42 ARG HA  1 43 ILE H    2.800 .  3.300 2.153 2.076 2.240     . 0 0 "[    .    1    .    2]" 1 
       483 1 42 ARG HA  1 43 ILE MD   6.120 .  6.720 4.804 4.527 5.101     . 0 0 "[    .    1    .    2]" 1 
       484 1 42 ARG HA  1 44 ASP H    4.800 .  5.300 3.500 3.210 3.751     . 0 0 "[    .    1    .    2]" 1 
       485 1 42 ARG QB  1 45 CYS H    4.964 .  5.594 2.376 2.081 2.809     . 0 0 "[    .    1    .    2]" 1 
       486 1 42 ARG QB  1 45 CYS HA   5.481 .  6.111 3.403 3.077 3.600     . 0 0 "[    .    1    .    2]" 1 
       487 1 42 ARG QB  1 46 LEU QD   8.713 .  9.562 4.888 4.803 4.961     . 0 0 "[    .    1    .    2]" 1 
       488 1 42 ARG QB  1 45 CYS H    4.368 .  4.928 3.330 2.978 3.678     . 0 0 "[    .    1    .    2]" 1 
       489 1 42 ARG QB  1 49 HIS CE1  4.592 .  5.152 4.261 4.185 4.338     . 0 0 "[    .    1    .    2]" 1 
       490 1 42 ARG QD  1 44 ASP H    5.824 .  6.384 4.378 3.889 4.694     . 0 0 "[    .    1    .    2]" 1 
       491 1 42 ARG QD  1 45 CYS H    5.040 .  5.600 4.122 3.304 4.570     . 0 0 "[    .    1    .    2]" 1 
       492 1 42 ARG QD  1 45 CYS HA   5.040 .  5.600 3.739 2.492 4.429     . 0 0 "[    .    1    .    2]" 1 
       493 1 42 ARG QG  1 43 ILE H    4.704 .  5.264 3.192 2.902 3.413     . 0 0 "[    .    1    .    2]" 1 
       494 1 42 ARG QG  1 44 ASP H    5.040 .  5.600 2.360 2.172 2.536     . 0 0 "[    .    1    .    2]" 1 
       495 1 42 ARG QG  1 45 CYS H    5.152 .  5.712 2.438 2.105 2.914     . 0 0 "[    .    1    .    2]" 1 
       496 1 42 ARG QG  1 45 CYS HA   4.928 .  5.488 3.587 3.201 3.819     . 0 0 "[    .    1    .    2]" 1 
       497 1 42 ARG QG  1 46 LEU QD   7.711 .  8.467 5.155 5.111 5.209     . 0 0 "[    .    1    .    2]" 1 
       498 1 43 ILE H   1 44 ASP H    3.700 .  4.200 2.553 2.326 2.747     . 0 0 "[    .    1    .    2]" 1 
       499 1 43 ILE H   1 45 CYS H    4.800 .  5.300 4.388 4.271 4.582     . 0 0 "[    .    1    .    2]" 1 
       500 1 43 ILE HA  1 44 ASP H    4.600 .  5.100 3.501 3.475 3.533     . 0 0 "[    .    1    .    2]" 1 
       501 1 43 ILE HA  1 45 CYS H    5.000 .  5.500 3.701 3.538 3.779     . 0 0 "[    .    1    .    2]" 1 
       502 1 43 ILE HB  1 44 ASP H    4.200 .  4.700 3.003 2.902 3.313     . 0 0 "[    .    1    .    2]" 1 
       503 1 43 ILE MD  1 44 ASP H    7.200 .  7.800 4.781 4.647 4.870     . 0 0 "[    .    1    .    2]" 1 
       504 1 43 ILE MD  1 45 CYS H    7.200 .  7.800 5.221 5.052 5.351     . 0 0 "[    .    1    .    2]" 1 
       505 1 43 ILE MD  1 45 CYS QB   7.392 .  8.064 5.474 5.292 5.556     . 0 0 "[    .    1    .    2]" 1 
       506 1 43 ILE QG  1 44 ASP H    5.600 .  6.160 4.299 4.158 4.532     . 0 0 "[    .    1    .    2]" 1 
       507 1 43 ILE MG  1 44 ASP H    4.560 .  5.160 3.583 3.383 3.760     . 0 0 "[    .    1    .    2]" 1 
       508 1 43 ILE MG  1 44 ASP HA   6.240 .  6.840 3.679 3.564 3.840     . 0 0 "[    .    1    .    2]" 1 
       509 1 43 ILE MG  1 44 ASP QB   6.720 .  7.392 4.207 3.724 4.836     . 0 0 "[    .    1    .    2]" 1 
       510 1 43 ILE MG  1 45 CYS H    6.600 .  7.200 4.750 4.640 4.933     . 0 0 "[    .    1    .    2]" 1 
       511 1 44 ASP H   1 45 CYS H    3.000 .  3.500 3.016 2.813 3.064     . 0 0 "[    .    1    .    2]" 1 
       512 1 44 ASP H   1 45 CYS HA   5.200 .  5.700 5.201 4.922 5.302     . 0 0 "[    .    1    .    2]" 1 
       513 1 44 ASP H   1 45 CYS QB   5.376 .  5.936 4.236 3.709 4.522     . 0 0 "[    .    1    .    2]" 1 
       514 1 44 ASP HA  1 45 CYS H    4.300 .  4.800 3.407 3.098 3.517     . 0 0 "[    .    1    .    2]" 1 
       515 1 44 ASP QB  1 45 CYS H    5.152 .  5.712 3.665 3.448 4.167     . 0 0 "[    .    1    .    2]" 1 
       516 1 44 ASP QB  1 46 LEU QD   8.921 .  9.677 4.429 3.634 4.947     . 0 0 "[    .    1    .    2]" 1 
       517 1 45 CYS H   1 46 LEU H    4.700 .  5.200 4.429 4.313 4.558     . 0 0 "[    .    1    .    2]" 1 
       518 1 45 CYS H   1 49 HIS CE1  3.900 .  4.400 4.306 4.149 4.422 0.022 1 0 "[    .    1    .    2]" 1 
       519 1 45 CYS HA  1 46 LEU H    2.600 .  3.100 2.071 2.009 2.184     . 0 0 "[    .    1    .    2]" 1 
       520 1 45 CYS HA  1 46 LEU QB   5.152 .  5.712 4.390 4.129 4.607     . 0 0 "[    .    1    .    2]" 1 
       521 1 45 CYS HA  1 46 LEU QD   7.695 .  8.370 3.260 2.537 3.883     . 0 0 "[    .    1    .    2]" 1 
       522 1 45 CYS HA  1 46 LEU HG   4.400 .  4.900 3.889 2.769 4.475     . 0 0 "[    .    1    .    2]" 1 
       523 1 45 CYS HA  1 47 PHE H    4.300 .  4.800 3.634 3.288 4.004     . 0 0 "[    .    1    .    2]" 1 
       524 1 45 CYS HA  1 49 HIS CE1  4.500 .  5.000 4.900 4.745 4.995     . 0 0 "[    .    1    .    2]" 1 
       525 1 45 CYS QB  1 46 LEU H    5.712 .  6.272 3.468 2.970 3.910     . 0 0 "[    .    1    .    2]" 1 
       526 1 45 CYS QB  1 47 PHE H    5.824 .  6.384 3.206 2.332 4.516     . 0 0 "[    .    1    .    2]" 1 
       527 1 45 CYS QB  1 49 HIS CE1  3.696 .  4.256 2.458 2.231 2.781     . 0 0 "[    .    1    .    2]" 1 
       528 1 46 LEU H   1 47 PHE QD   6.944 .  7.504 3.944 2.927 4.638     . 0 0 "[    .    1    .    2]" 1 
       529 1 46 LEU HA  1 47 PHE H    4.500 .  5.000 3.140 2.953 3.307     . 0 0 "[    .    1    .    2]" 1 
       530 1 46 LEU QB  1 47 PHE H    5.264 .  5.824 3.616 3.417 3.876     . 0 0 "[    .    1    .    2]" 1 
       531 1 46 LEU QB  1 47 PHE QB   7.025 .  7.652 5.042 4.722 5.275     . 0 0 "[    .    1    .    2]" 1 
       532 1 46 LEU QD  1 47 PHE H    7.830 .  8.505 4.211 4.022 4.313     . 0 0 "[    .    1    .    2]" 1 
       533 1 46 LEU QD  1 47 PHE QD   9.374 . 10.130 4.930 4.113 5.664     . 0 0 "[    .    1    .    2]" 1 
       534 1 46 LEU QD  1 47 PHE QE   9.072 .  9.828 5.131 3.927 6.016     . 0 0 "[    .    1    .    2]" 1 
       535 1 46 LEU HG  1 47 PHE H    4.900 .  5.400 4.821 4.486 4.949     . 0 0 "[    .    1    .    2]" 1 
       536 1 47 PHE H   1 48 GLY H    4.500 .  5.000 4.476 2.887 4.584     . 0 0 "[    .    1    .    2]" 1 
       537 1 47 PHE H   1 49 HIS CE1  4.000 .  4.500 4.143 3.958 4.261     . 0 0 "[    .    1    .    2]" 1 
       538 1 47 PHE HA  1 48 GLY H    3.900 .  4.400 2.389 2.258 3.432     . 0 0 "[    .    1    .    2]" 1 
       539 1 47 PHE QB  1 48 GLY H    4.816 .  5.376 2.450 2.189 2.569     . 0 0 "[    .    1    .    2]" 1 
       540 1 47 PHE QD  1 48 GLY H    6.048 .  6.608 3.922 3.632 4.327     . 0 0 "[    .    1    .    2]" 1 
       541 1 48 GLY H   1 49 HIS H    5.000 .  5.500 4.386 3.273 4.527     . 0 0 "[    .    1    .    2]" 1 
       542 1 48 GLY QA  1 49 HIS H    3.248 .  3.808 2.097 2.057 2.171     . 0 0 "[    .    1    .    2]" 1 
       543 1 48 GLY QA  1 49 HIS HA   5.242 .  5.872 2.026 1.947 2.089     . 0 0 "[    .    1    .    2]" 1 
       544 1 48 GLY QA  1 49 HIS QB   6.899 .  7.526 4.323 4.227 4.465     . 0 0 "[    .    1    .    2]" 1 
       545 1 48 GLY QA  1 49 HIS QB   7.775 .  8.482 2.936 2.545 3.215     . 0 0 "[    .    1    .    2]" 1 
       546 1 48 GLY QA  1 67 LEU QD   7.560 .  8.316 2.620 2.057 3.238     . 0 0 "[    .    1    .    2]" 1 
       547 1 49 HIS H   1 67 LEU QD   5.400 .  6.075 3.148 2.272 3.908     . 0 0 "[    .    1    .    2]" 1 
       548 1 49 HIS HA  1 50 PRO HA   5.000 .  5.500 4.416 4.334 4.496     . 0 0 "[    .    1    .    2]" 1 
       549 1 49 HIS HA  1 50 PRO QD   4.704 .  5.264 2.031 1.952 2.095     . 0 0 "[    .    1    .    2]" 1 
       550 1 49 HIS HA  1 50 PRO QG   4.704 .  5.264 3.932 3.606 4.041     . 0 0 "[    .    1    .    2]" 1 
       551 1 49 HIS QB  1 50 PRO QD   5.645 .  6.272 2.993 2.562 3.311     . 0 0 "[    .    1    .    2]" 1 
       552 1 49 HIS QB  1 50 PRO QG   5.770 .  6.397 4.591 4.371 4.661     . 0 0 "[    .    1    .    2]" 1 
       553 1 50 PRO HA  1 51 ILE H    2.800 .  3.300 2.315 2.211 2.435     . 0 0 "[    .    1    .    2]" 1 
       554 1 50 PRO HA  1 51 ILE HA   5.200 .  5.700 4.503 4.395 4.573     . 0 0 "[    .    1    .    2]" 1 
       555 1 50 PRO HA  1 51 ILE HB   4.900 .  5.400 4.493 4.319 4.702     . 0 0 "[    .    1    .    2]" 1 
       556 1 50 PRO HA  1 51 ILE MD   7.320 .  7.920 3.480 2.264 5.030     . 0 0 "[    .    1    .    2]" 1 
       557 1 50 PRO HA  1 51 ILE QG   4.928 .  5.488 3.904 3.150 4.469     . 0 0 "[    .    1    .    2]" 1 
       558 1 50 PRO HA  1 67 LEU QD   7.290 .  7.965 4.045 2.789 5.245     . 0 0 "[    .    1    .    2]" 1 
       559 1 50 PRO QB  1 51 ILE H    4.928 .  5.488 2.667 2.477 2.937     . 0 0 "[    .    1    .    2]" 1 
       560 1 50 PRO QB  1 51 ILE HA   5.600 .  6.160 4.300 4.003 4.529     . 0 0 "[    .    1    .    2]" 1 
       561 1 50 PRO QG  1 51 ILE H    5.376 .  5.936 4.313 4.116 4.484     . 0 0 "[    .    1    .    2]" 1 
       562 1 50 PRO QG  1 51 ILE H    6.010 .  6.640 4.032 3.906 4.147     . 0 0 "[    .    1    .    2]" 1 
       563 1 51 ILE H   1 52 ASN H    5.150 .  5.711 3.675 3.600 3.751     . 0 0 "[    .    1    .    2]" 1 
       564 1 51 ILE H   1 53 GLU QB   5.376 .  5.936 4.850 4.794 4.934     . 0 0 "[    .    1    .    2]" 1 
       565 1 51 ILE H   1 53 GLU QB   6.010 .  6.640 4.263 3.589 4.713     . 0 0 "[    .    1    .    2]" 1 
       566 1 51 ILE H   1 67 LEU QD   7.155 .  7.830 4.862 4.196 5.335     . 0 0 "[    .    1    .    2]" 1 
       567 1 51 ILE H   1 68 PHE HA   5.000 .  5.500 4.130 3.371 4.803     . 0 0 "[    .    1    .    2]" 1 
       568 1 51 ILE HA  1 52 ASN H    2.700 .  3.200 2.269 2.210 2.322     . 0 0 "[    .    1    .    2]" 1 
       569 1 51 ILE HA  1 52 ASN QB   5.824 .  6.384 4.251 4.032 4.476     . 0 0 "[    .    1    .    2]" 1 
       570 1 51 ILE HB  1 53 GLU H    5.100 .  5.600 4.078 3.720 4.530     . 0 0 "[    .    1    .    2]" 1 
       571 1 51 ILE HB  1 67 LEU HA   4.600 .  5.100 4.464 3.993 4.721     . 0 0 "[    .    1    .    2]" 1 
       572 1 51 ILE HB  1 68 PHE HA   4.500 .  5.000 3.229 2.379 3.823     . 0 0 "[    .    1    .    2]" 1 
       573 1 51 ILE HB  1 69 ARG HE   5.100 .  5.600 4.273 3.598 4.923     . 0 0 "[    .    1    .    2]" 1 
       574 1 51 ILE MD  1 52 ASN H    7.200 .  7.800 4.952 3.845 5.193     . 0 0 "[    .    1    .    2]" 1 
       575 1 51 ILE MD  1 67 LEU H    7.440 .  8.040 4.772 4.319 6.247     . 0 0 "[    .    1    .    2]" 1 
       576 1 51 ILE MD  1 67 LEU HA   6.960 .  7.560 3.131 2.059 4.476     . 0 0 "[    .    1    .    2]" 1 
       577 1 51 ILE MD  1 67 LEU QB   6.317 .  6.989 2.281 1.983 3.548     . 0 0 "[    .    1    .    2]" 1 
       578 1 51 ILE MD  1 67 LEU QD   8.424 .  9.234 2.326 2.012 3.044     . 0 0 "[    .    1    .    2]" 1 
       579 1 51 ILE MD  1 68 PHE H    7.440 .  8.040 4.379 3.300 6.218     . 0 0 "[    .    1    .    2]" 1 
       580 1 51 ILE MD  1 68 PHE QD   7.526 .  8.198 4.138 2.498 5.606     . 0 0 "[    .    1    .    2]" 1 
       581 1 51 ILE MD  1 69 ARG HE   6.120 .  6.720 5.138 4.705 5.222     . 0 0 "[    .    1    .    2]" 1 
       582 1 51 ILE QG  1 67 LEU QD  10.491 . 11.373 3.358 2.549 3.765     . 0 0 "[    .    1    .    2]" 1 
       583 1 51 ILE QG  1 67 LEU QD   7.106 .  7.862 3.442 2.568 3.923     . 0 0 "[    .    1    .    2]" 1 
       584 1 51 ILE MG  1 52 ASN H    4.440 .  5.040 2.426 2.232 2.650     . 0 0 "[    .    1    .    2]" 1 
       585 1 51 ILE MG  1 52 ASN HA   6.480 .  7.080 4.015 3.853 4.189     . 0 0 "[    .    1    .    2]" 1 
       586 1 51 ILE MG  1 53 GLU H    4.560 .  5.160 3.469 3.114 3.782     . 0 0 "[    .    1    .    2]" 1 
       587 1 51 ILE MG  1 53 GLU HA   6.480 .  7.080 4.206 3.968 4.599     . 0 0 "[    .    1    .    2]" 1 
       588 1 51 ILE MG  1 53 GLU QB   5.510 .  6.182 2.251 2.047 2.786     . 0 0 "[    .    1    .    2]" 1 
       589 1 51 ILE MG  1 53 GLU QG   5.914 .  6.586 3.278 2.344 4.002     . 0 0 "[    .    1    .    2]" 1 
       590 1 51 ILE MG  1 67 LEU QD   9.720 . 10.530 4.748 4.263 4.961     . 0 0 "[    .    1    .    2]" 1 
       591 1 51 ILE MG  1 68 PHE HA   7.200 .  7.800 4.164 3.658 4.521     . 0 0 "[    .    1    .    2]" 1 
       592 1 51 ILE MG  1 68 PHE QD   6.854 .  7.526 4.031 2.703 5.111     . 0 0 "[    .    1    .    2]" 1 
       593 1 51 ILE MG  1 69 ARG HE   5.520 .  6.120 4.656 4.617 4.699     . 0 0 "[    .    1    .    2]" 1 
       594 1 52 ASN H   1 53 GLU H    4.600 .  5.100 3.950 3.813 4.094     . 0 0 "[    .    1    .    2]" 1 
       595 1 52 ASN HA  1 53 GLU H    2.800 .  3.300 2.352 2.271 2.431     . 0 0 "[    .    1    .    2]" 1 
       596 1 52 ASN QB  1 53 GLU H    5.264 .  5.824 4.033 3.865 4.119     . 0 0 "[    .    1    .    2]" 1 
       597 1 53 GLU H   1 54 ASP H    4.600 .  5.100 4.352 4.271 4.423     . 0 0 "[    .    1    .    2]" 1 
       598 1 53 GLU H   1 68 PHE QB   5.600 .  6.160 4.620 4.138 5.005     . 0 0 "[    .    1    .    2]" 1 
       599 1 53 GLU H   1 69 ARG H    4.300 .  4.800 3.091 2.862 3.342     . 0 0 "[    .    1    .    2]" 1 
       600 1 53 GLU H   1 69 ARG QB   4.144 .  4.704 3.549 2.888 3.766     . 0 0 "[    .    1    .    2]" 1 
       601 1 53 GLU H   1 69 ARG HE   4.800 .  5.300 3.427 3.130 3.723     . 0 0 "[    .    1    .    2]" 1 
       602 1 53 GLU HA  1 54 ASP H    2.600 .  3.100 2.341 2.238 2.436     . 0 0 "[    .    1    .    2]" 1 
       603 1 53 GLU QB  1 54 ASP H    3.808 .  4.368 3.150 2.618 3.479     . 0 0 "[    .    1    .    2]" 1 
       604 1 53 GLU QB  1 55 CYS H    5.712 .  6.272 5.098 4.846 5.172     . 0 0 "[    .    1    .    2]" 1 
       605 1 53 GLU QB  1 68 PHE H    5.824 .  6.384 5.050 4.668 5.260     . 0 0 "[    .    1    .    2]" 1 
       606 1 53 GLU QG  1 54 ASP H    3.808 .  4.368 2.834 2.215 3.556     . 0 0 "[    .    1    .    2]" 1 
       607 1 54 ASP H   1 55 CYS H    4.800 .  5.300 4.435 4.308 4.598     . 0 0 "[    .    1    .    2]" 1 
       608 1 54 ASP HA  1 55 CYS H    2.800 .  3.300 2.145 2.068 2.207     . 0 0 "[    .    1    .    2]" 1 
       609 1 54 ASP HA  1 55 CYS QB   5.488 .  6.048 4.044 3.954 4.145     . 0 0 "[    .    1    .    2]" 1 
       610 1 54 ASP HA  1 68 PHE QB   5.488 .  6.048 3.496 3.239 3.806     . 0 0 "[    .    1    .    2]" 1 
       611 1 54 ASP HA  1 69 ARG H    4.400 .  4.900 3.438 3.148 3.936     . 0 0 "[    .    1    .    2]" 1 
       612 1 54 ASP HA  1 69 ARG QB   4.368 .  4.928 3.376 3.113 3.781     . 0 0 "[    .    1    .    2]" 1 
       613 1 54 ASP QB  1 55 CYS H    5.264 .  5.824 3.767 3.332 3.953     . 0 0 "[    .    1    .    2]" 1 
       614 1 55 CYS H   1 56 ARG H    5.100 .  5.600 4.583 4.549 4.617     . 0 0 "[    .    1    .    2]" 1 
       615 1 55 CYS H   1 58 GLY H    4.900 .  5.400 4.698 4.513 4.896     . 0 0 "[    .    1    .    2]" 1 
       616 1 55 CYS H   1 68 PHE HA   4.900 .  5.400 4.785 4.632 4.938     . 0 0 "[    .    1    .    2]" 1 
       617 1 55 CYS H   1 68 PHE QB   4.928 .  5.488 2.726 2.451 3.047     . 0 0 "[    .    1    .    2]" 1 
       618 1 55 CYS H   1 68 PHE QD   6.720 .  7.280 4.386 3.762 5.019     . 0 0 "[    .    1    .    2]" 1 
       619 1 55 CYS H   1 69 ARG H    4.500 .  5.000 3.649 3.441 3.966     . 0 0 "[    .    1    .    2]" 1 
       620 1 55 CYS H   1 69 ARG HA   4.900 .  5.400 4.904 4.794 4.968     . 0 0 "[    .    1    .    2]" 1 
       621 1 55 CYS H   1 69 ARG QB   5.152 .  5.712 4.140 3.899 4.399     . 0 0 "[    .    1    .    2]" 1 
       622 1 55 CYS H   1 70 HIS H    5.200 .  5.700 5.185 5.090 5.261     . 0 0 "[    .    1    .    2]" 1 
       623 1 55 CYS HA  1 56 ARG H    3.200 .  3.700 2.133 2.066 2.193     . 0 0 "[    .    1    .    2]" 1 
       624 1 55 CYS HA  1 57 PHE H    4.800 .  5.300 3.901 3.767 4.284     . 0 0 "[    .    1    .    2]" 1 
       625 1 55 CYS QB  1 58 GLY H    3.808 .  4.368 2.248 2.045 2.778     . 0 0 "[    .    1    .    2]" 1 
       626 1 55 CYS QB  1 68 PHE H    5.600 .  6.160 4.403 3.972 4.889     . 0 0 "[    .    1    .    2]" 1 
       627 1 55 CYS QB  1 68 PHE QB   5.519 .  6.147 2.199 2.112 2.335     . 0 0 "[    .    1    .    2]" 1 
       628 1 55 CYS QB  1 69 ARG H    5.600 .  6.160 4.142 3.927 4.372     . 0 0 "[    .    1    .    2]" 1 
       629 1 55 CYS QB  1 70 HIS HD2  4.032 .  4.592 2.471 2.237 2.625     . 0 0 "[    .    1    .    2]" 1 
       630 1 56 ARG H   1 57 PHE QB   5.264 .  5.824 4.508 4.110 4.745     . 0 0 "[    .    1    .    2]" 1 
       631 1 56 ARG HA  1 57 PHE H    4.200 .  4.700 3.426 3.273 3.575     . 0 0 "[    .    1    .    2]" 1 
       632 1 56 ARG QB  1 57 PHE H    5.376 .  5.936 3.380 2.658 3.949     . 0 0 "[    .    1    .    2]" 1 
       633 1 56 ARG QD  1 57 PHE QD   5.519 .  6.147 4.006 2.091 4.420     . 0 0 "[    .    1    .    2]" 1 
       634 1 56 ARG QG  1 57 PHE H    5.264 .  5.824 3.909 2.607 4.816     . 0 0 "[    .    1    .    2]" 1 
       635 1 56 ARG QG  1 57 PHE QD   5.519 .  6.147 3.914 2.297 4.417     . 0 0 "[    .    1    .    2]" 1 
       636 1 56 ARG QG  1 68 PHE QD   5.519 .  6.147 3.859 3.091 4.415     . 0 0 "[    .    1    .    2]" 1 
       637 1 57 PHE H   1 58 GLY H    2.900 .  3.400 2.061 1.904 2.631     . 0 0 "[    .    1    .    2]" 1 
       638 1 57 PHE HA  1 58 GLY H    4.100 .  4.600 3.548 3.463 3.604     . 0 0 "[    .    1    .    2]" 1 
       639 1 57 PHE HA  1 61 CYS H    4.900 .  5.400 4.633 4.392 4.895     . 0 0 "[    .    1    .    2]" 1 
       640 1 57 PHE QB  1 58 GLY H    5.600 .  6.160 3.004 2.844 3.261     . 0 0 "[    .    1    .    2]" 1 
       641 1 57 PHE QB  1 59 VAL H    6.514 .  7.144 4.515 4.372 4.655     . 0 0 "[    .    1    .    2]" 1 
       642 1 57 PHE QB  1 60 ASN H    5.264 .  5.824 3.439 3.240 3.573     . 0 0 "[    .    1    .    2]" 1 
       643 1 57 PHE QB  1 61 CYS H    3.472 .  4.032 2.595 2.466 2.695     . 0 0 "[    .    1    .    2]" 1 
       644 1 57 PHE QD  1 58 GLY H    5.600 .  6.160 4.635 4.440 4.769     . 0 0 "[    .    1    .    2]" 1 
       645 1 57 PHE QD  1 60 ASN HA   6.944 .  7.504 5.252 4.709 6.231     . 0 0 "[    .    1    .    2]" 1 
       646 1 57 PHE QD  1 61 CYS H    4.816 .  5.376 4.342 4.244 4.387     . 0 0 "[    .    1    .    2]" 1 
       647 1 57 PHE QD  1 61 CYS H    5.200 .  5.801 3.910 3.822 3.964     . 0 0 "[    .    1    .    2]" 1 
       648 1 58 GLY H   1 59 VAL H    4.300 .  4.800 4.422 4.398 4.441     . 0 0 "[    .    1    .    2]" 1 
       649 1 58 GLY H   1 59 VAL QG   8.370 .  8.640 5.211 5.189 5.247     . 0 0 "[    .    1    .    2]" 1 
       650 1 58 GLY H   1 60 ASN H    4.800 .  5.300 4.471 4.355 4.552     . 0 0 "[    .    1    .    2]" 1 
       651 1 58 GLY H   1 61 CYS H    5.200 .  5.700 4.224 4.061 4.437     . 0 0 "[    .    1    .    2]" 1 
       652 1 58 GLY H   1 61 CYS QB   5.488 .  6.048 3.153 2.859 3.520     . 0 0 "[    .    1    .    2]" 1 
       653 1 58 GLY H   1 70 HIS QB   5.600 .  6.160 5.035 5.020 5.059     . 0 0 "[    .    1    .    2]" 1 
       654 1 58 GLY QA  1 59 VAL H    3.024 .  3.584 2.107 2.070 2.123     . 0 0 "[    .    1    .    2]" 1 
       655 1 58 GLY QA  1 59 VAL QG   7.711 .  7.862 3.217 3.187 3.247     . 0 0 "[    .    1    .    2]" 1 
       656 1 58 GLY QA  1 59 VAL QG   8.696 .  9.545 3.090 2.978 3.177     . 0 0 "[    .    1    .    2]" 1 
       657 1 58 GLY QA  1 60 ASN H    5.488 .  6.048 3.534 3.487 3.602     . 0 0 "[    .    1    .    2]" 1 
       658 1 58 GLY QA  1 70 HIS HA   5.264 .  5.824 2.894 2.526 3.140     . 0 0 "[    .    1    .    2]" 1 
       659 1 58 GLY QA  1 70 HIS HD2  4.480 .  5.040 2.679 2.427 3.141     . 0 0 "[    .    1    .    2]" 1 
       660 1 59 VAL H   1 60 ASN H    3.000 .  3.500 2.573 2.489 2.659     . 0 0 "[    .    1    .    2]" 1 
       661 1 59 VAL H   1 60 ASN HA   5.200 .  5.700 5.197 5.152 5.273     . 0 0 "[    .    1    .    2]" 1 
       662 1 59 VAL H   1 60 ASN QB   5.824 .  6.384 4.676 4.618 4.777     . 0 0 "[    .    1    .    2]" 1 
       663 1 59 VAL H   1 60 ASN QD   4.032 .  4.592 3.325 3.222 3.431     . 0 0 "[    .    1    .    2]" 1 
       664 1 59 VAL H   1 61 CYS H    4.900 .  5.400 4.236 4.048 4.419     . 0 0 "[    .    1    .    2]" 1 
       665 1 59 VAL H   1 70 HIS QB   5.824 .  6.384 5.028 4.774 5.227     . 0 0 "[    .    1    .    2]" 1 
       666 1 59 VAL H   1 71 PRO QD   5.488 .  6.048 3.232 2.806 3.693     . 0 0 "[    .    1    .    2]" 1 
       667 1 59 VAL H   1 71 PRO QG   3.696 .  4.256 3.247 2.869 3.321     . 0 0 "[    .    1    .    2]" 1 
       668 1 59 VAL HA  1 60 ASN H    3.300 .  3.800 3.345 3.316 3.392     . 0 0 "[    .    1    .    2]" 1 
       669 1 59 VAL HA  1 61 CYS H    4.900 .  5.400 3.868 3.707 4.019     . 0 0 "[    .    1    .    2]" 1 
       670 1 59 VAL HA  1 71 PRO QD   6.509 .  6.832 3.486 3.285 3.904     . 0 0 "[    .    1    .    2]" 1 
       671 1 59 VAL HA  1 75 VAL H    4.800 .  5.300 4.178 3.683 4.829     . 0 0 "[    .    1    .    2]" 1 
       672 1 59 VAL HB  1 60 ASN H    5.400 .  5.900 4.245 4.105 4.329     . 0 0 "[    .    1    .    2]" 1 
       673 1 59 VAL HB  1 74 ARG HA   4.800 .  5.300 2.967 2.346 3.873     . 0 0 "[    .    1    .    2]" 1 
       674 1 59 VAL HB  1 75 VAL H    4.800 .  5.300 4.419 3.632 4.836     . 0 0 "[    .    1    .    2]" 1 
       675 1 59 VAL QG  1 60 ASN H    5.805 .  6.480 2.913 2.708 3.035     . 0 0 "[    .    1    .    2]" 1 
       676 1 59 VAL QG  1 60 ASN HA   6.885 .  7.560 3.679 3.550 3.815     . 0 0 "[    .    1    .    2]" 1 
       677 1 59 VAL QG  1 60 ASN QB   8.770 .  9.526 4.049 3.905 4.255     . 0 0 "[    .    1    .    2]" 1 
       678 1 59 VAL QG  1 60 ASN QD   7.409 .  8.165 2.735 2.443 3.044     . 0 0 "[    .    1    .    2]" 1 
       679 1 59 VAL QG  1 61 CYS H    7.290 .  7.965 4.426 4.324 4.535     . 0 0 "[    .    1    .    2]" 1 
       680 1 59 VAL QG  1 70 HIS HA   7.965 .  8.640 5.018 4.618 5.521     . 0 0 "[    .    1    .    2]" 1 
       681 1 59 VAL QG  1 71 PRO QB   7.258 .  8.014 2.327 2.104 3.364     . 0 0 "[    .    1    .    2]" 1 
       682 1 59 VAL QG  1 71 PRO QB   8.051 .  8.900 2.061 1.962 2.598     . 0 0 "[    .    1    .    2]" 1 
       683 1 59 VAL QG  1 71 PRO QD   7.258 .  8.014 2.702 2.344 3.554     . 0 0 "[    .    1    .    2]" 1 
       684 1 59 VAL QG  1 71 PRO QG   6.804 .  7.560 2.359 2.025 2.576     . 0 0 "[    .    1    .    2]" 1 
       685 1 59 VAL QG  1 72 PRO QB   8.051 .  8.900 2.396 2.174 2.960     . 0 0 "[    .    1    .    2]" 1 
       686 1 59 VAL QG  1 73 GLY H    8.370 .  9.045 5.077 4.608 5.860     . 0 0 "[    .    1    .    2]" 1 
       687 1 59 VAL QG  1 74 ARG H    5.535 .  6.210 3.696 3.263 4.112     . 0 0 "[    .    1    .    2]" 1 
       688 1 59 VAL QG  1 74 ARG HA   5.940 .  6.615 3.048 2.661 3.690     . 0 0 "[    .    1    .    2]" 1 
       689 1 59 VAL QG  1 74 ARG QB   7.106 .  7.862 2.402 2.174 2.985     . 0 0 "[    .    1    .    2]" 1 
       690 1 59 VAL QG  1 74 ARG QD   8.165 .  8.921 4.129 3.344 4.994     . 0 0 "[    .    1    .    2]" 1 
       691 1 60 ASN H   1 60 ASN QD   3.363 .  3.963 2.054 2.006 2.102     . 0 0 "[    .    1    .    2]" 1 
       692 1 60 ASN H   1 61 CYS H    2.800 .  3.300 2.272 2.165 2.375     . 0 0 "[    .    1    .    2]" 1 
       693 1 60 ASN H   1 61 CYS QB   5.824 .  6.384 3.749 3.649 3.891     . 0 0 "[    .    1    .    2]" 1 
       694 1 60 ASN HA  1 61 CYS H    4.200 .  4.700 3.439 3.386 3.492     . 0 0 "[    .    1    .    2]" 1 
       695 1 60 ASN QB  1 61 CYS H    4.144 .  4.704 3.081 2.889 3.329     . 0 0 "[    .    1    .    2]" 1 
       696 1 61 CYS HA  1 62 LYS H    3.000 .  3.500 2.181 2.104 2.213     . 0 0 "[    .    1    .    2]" 1 
       697 1 61 CYS HA  1 63 ASN H    4.800 .  5.300 3.785 3.563 4.239     . 0 0 "[    .    1    .    2]" 1 
       698 1 61 CYS HA  1 76 LEU QD   7.560 .  8.235 4.943 4.728 5.630     . 0 0 "[    .    1    .    2]" 1 
       699 1 61 CYS QB  1 70 HIS HD2  4.032 .  4.592 2.780 2.598 2.929     . 0 0 "[    .    1    .    2]" 1 
       700 1 61 CYS QB  1 76 LEU QD   8.770 .  9.526 3.643 3.154 4.801     . 0 0 "[    .    1    .    2]" 1 
       701 1 62 LYS H   1 63 ASN H    3.200 .  3.700 2.340 2.191 2.559     . 0 0 "[    .    1    .    2]" 1 
       702 1 62 LYS H   1 63 ASN QB   6.384 .  6.944 3.963 3.731 4.560     . 0 0 "[    .    1    .    2]" 1 
       703 1 62 LYS HA  1 63 ASN H    3.400 .  3.900 3.286 3.098 3.486     . 0 0 "[    .    1    .    2]" 1 
       704 1 62 LYS HA  1 76 LEU QD   5.940 .  6.615 2.289 2.082 2.925     . 0 0 "[    .    1    .    2]" 1 
       705 1 62 LYS QB  1 63 ASN H    5.376 .  5.936 3.502 3.135 3.711     . 0 0 "[    .    1    .    2]" 1 
       706 1 62 LYS QE  1 75 VAL QG   8.618 .  9.374 4.127 2.277 5.699     . 0 0 "[    .    1    .    2]" 1 
       707 1 62 LYS QE  1 76 LEU QD   8.921 .  9.677 4.907 2.459 5.889     . 0 0 "[    .    1    .    2]" 1 
       708 1 62 LYS QG  1 63 ASN H    5.712 .  6.272 4.503 4.166 4.893     . 0 0 "[    .    1    .    2]" 1 
       709 1 63 ASN H   1 64 ILE H    5.000 .  5.500 4.510 4.379 4.685     . 0 0 "[    .    1    .    2]" 1 
       710 1 63 ASN H   1 66 CYS QB   4.816 .  5.376 3.981 3.832 4.300     . 0 0 "[    .    1    .    2]" 1 
       711 1 63 ASN HA  1 64 ILE H    2.700 .  3.200 2.172 2.103 2.385     . 0 0 "[    .    1    .    2]" 1 
       712 1 63 ASN HA  1 64 ILE MD   6.240 .  6.840 3.942 3.306 5.307     . 0 0 "[    .    1    .    2]" 1 
       713 1 63 ASN HA  1 64 ILE MG   6.960 .  7.560 5.144 2.859 5.443     . 0 0 "[    .    1    .    2]" 1 
       714 1 63 ASN QB  1 64 ILE H    5.824 .  6.384 3.711 2.754 3.956     . 0 0 "[    .    1    .    2]" 1 
       715 1 63 ASN QD  1 65 TYR QB   6.523 .  7.150 4.636 3.015 5.210     . 0 0 "[    .    1    .    2]" 1 
       716 1 63 ASN QD  1 65 TYR QD   5.268 .  5.896 3.527 2.646 4.161     . 0 0 "[    .    1    .    2]" 1 
       717 1 63 ASN QD  1 65 TYR QE   5.394 .  6.021 3.573 2.719 4.300     . 0 0 "[    .    1    .    2]" 1 
       718 1 63 ASN QD  1 66 CYS QB   6.272 .  6.899 3.113 2.260 4.771     . 0 0 "[    .    1    .    2]" 1 
       719 1 64 ILE H   1 65 TYR H    3.100 .  3.600 2.611 1.985 2.989     . 0 0 "[    .    1    .    2]" 1 
       720 1 64 ILE H   1 66 CYS H    4.900 .  5.400 4.562 3.882 4.935     . 0 0 "[    .    1    .    2]" 1 
       721 1 64 ILE HA  1 65 TYR H    3.400 .  3.900 3.466 3.404 3.525     . 0 0 "[    .    1    .    2]" 1 
       722 1 64 ILE HA  1 66 CYS H    4.400 .  4.900 4.126 3.574 4.336     . 0 0 "[    .    1    .    2]" 1 
       723 1 64 ILE HA  1 76 LEU QD   5.940 .  6.615 2.328 2.063 2.688     . 0 0 "[    .    1    .    2]" 1 
       724 1 64 ILE HB  1 65 TYR H    4.700 .  5.200 3.091 2.781 4.455     . 0 0 "[    .    1    .    2]" 1 
       725 1 64 ILE HB  1 65 TYR QE   5.712 .  6.272 4.061 3.431 5.122     . 0 0 "[    .    1    .    2]" 1 
       726 1 64 ILE MD  1 77 PRO QD   7.088 .  7.822 2.355 2.085 3.802     . 0 0 "[    .    1    .    2]" 1 
       727 1 64 ILE MD  1 65 TYR H    6.160 .  6.834 3.650 2.475 3.771     . 0 0 "[    .    1    .    2]" 1 
       728 1 64 ILE MD  1 66 CYS H    7.940 .  8.614 4.724 4.436 4.918     . 0 0 "[    .    1    .    2]" 1 
       729 1 64 ILE MD  1 76 LEU QD   8.940 .  9.849 2.206 1.993 2.640     . 0 0 "[    .    1    .    2]" 1 
       730 1 64 ILE MD  1 77 PRO QD   7.305 .  8.061 2.414 2.029 3.457     . 0 0 "[    .    1    .    2]" 1 
       731 1 64 ILE MD  1 65 TYR H    6.120 .  6.720 4.509 4.083 4.675     . 0 0 "[    .    1    .    2]" 1 
       732 1 64 ILE MD  1 65 TYR QD   7.661 .  8.333 4.419 2.635 5.259     . 0 0 "[    .    1    .    2]" 1 
       733 1 64 ILE MD  1 65 TYR QE   6.989 .  7.661 4.758 2.530 5.229     . 0 0 "[    .    1    .    2]" 1 
       734 1 64 ILE MD  1 66 CYS H    7.080 .  7.680 5.811 5.307 6.036     . 0 0 "[    .    1    .    2]" 1 
       735 1 64 ILE MD  1 76 LEU QB   6.989 .  7.661 2.853 2.093 4.580     . 0 0 "[    .    1    .    2]" 1 
       736 1 64 ILE MD  1 76 LEU QD   7.776 .  8.586 2.618 2.002 4.307     . 0 0 "[    .    1    .    2]" 1 
       737 1 64 ILE MD  1 77 PRO QB   7.526 .  8.198 3.648 2.288 4.448     . 0 0 "[    .    1    .    2]" 1 
       738 1 64 ILE MD  1 77 PRO QD   6.451 .  7.123 2.587 2.097 4.010     . 0 0 "[    .    1    .    2]" 1 
       739 1 64 ILE MD  1 77 PRO QG   7.392 .  8.064 2.598 2.035 5.042     . 0 0 "[    .    1    .    2]" 1 
       740 1 64 ILE QG  1 65 TYR QD   6.267 .  7.000 3.160 2.490 3.670     . 0 0 "[    .    1    .    2]" 1 
       741 1 64 ILE QG  1 65 TYR H    5.488 .  6.048 3.842 2.999 4.109     . 0 0 "[    .    1    .    2]" 1 
       742 1 64 ILE QG  1 65 TYR QD   5.394 .  6.021 3.397 2.708 4.050     . 0 0 "[    .    1    .    2]" 1 
       743 1 64 ILE QG  1 65 TYR QE   4.767 .  5.394 3.647 2.797 3.821     . 0 0 "[    .    1    .    2]" 1 
       744 1 64 ILE QG  1 77 PRO QD   7.520 .  8.313 2.539 1.993 2.961     . 0 0 "[    .    1    .    2]" 1 
       745 1 64 ILE QG  1 77 PRO QD   5.896 .  6.523 3.866 2.149 4.721     . 0 0 "[    .    1    .    2]" 1 
       746 1 64 ILE MG  1 65 TYR H    4.680 .  5.280 3.884 2.486 4.010     . 0 0 "[    .    1    .    2]" 1 
       747 1 64 ILE MG  1 65 TYR HA   6.480 .  7.080 4.196 3.810 5.452     . 0 0 "[    .    1    .    2]" 1 
       748 1 64 ILE MG  1 65 TYR QB   6.720 .  7.392 4.114 3.800 5.145     . 0 0 "[    .    1    .    2]" 1 
       749 1 64 ILE MG  1 65 TYR QD   7.392 .  8.064 3.849 2.757 4.661     . 0 0 "[    .    1    .    2]" 1 
       750 1 64 ILE MG  1 65 TYR QE   7.526 .  8.198 5.027 2.489 5.504     . 0 0 "[    .    1    .    2]" 1 
       751 1 64 ILE MG  1 76 LEU HA   6.960 .  7.560 5.495 3.651 5.832     . 0 0 "[    .    1    .    2]" 1 
       752 1 64 ILE MG  1 76 LEU QB   6.317 .  6.989 3.396 2.181 4.692     . 0 0 "[    .    1    .    2]" 1 
       753 1 64 ILE MG  1 77 PRO QB   8.064 .  8.736 5.376 3.169 6.054     . 0 0 "[    .    1    .    2]" 1 
       754 1 64 ILE MG  1 77 PRO QD   7.392 .  8.064 4.250 2.035 4.778     . 0 0 "[    .    1    .    2]" 1 
       755 1 64 ILE MG  1 77 PRO QG   6.586 .  7.258 4.589 3.378 4.945     . 0 0 "[    .    1    .    2]" 1 
       756 1 64 ILE MG  1 77 PRO QG   7.476 .  8.232 4.311 2.203 4.791     . 0 0 "[    .    1    .    2]" 1 
       757 1 65 TYR H   1 66 CYS H    2.900 .  3.400 2.709 2.472 2.945     . 0 0 "[    .    1    .    2]" 1 
       758 1 65 TYR H   1 66 CYS QB   4.144 .  4.704 3.725 3.423 3.796     . 0 0 "[    .    1    .    2]" 1 
       759 1 65 TYR HA  1 66 CYS H    4.600 .  5.100 2.879 2.610 3.375     . 0 0 "[    .    1    .    2]" 1 
       760 1 65 TYR QB  1 66 CYS H    5.376 .  5.936 3.979 3.334 4.101     . 0 0 "[    .    1    .    2]" 1 
       761 1 65 TYR QB  1 67 LEU QD   8.921 .  9.677 4.035 3.267 5.218     . 0 0 "[    .    1    .    2]" 1 
       762 1 65 TYR QD  1 66 CYS H    6.160 .  6.720 4.537 4.322 4.815     . 0 0 "[    .    1    .    2]" 1 
       763 1 66 CYS H   1 67 LEU H    5.100 .  5.600 4.553 4.396 4.621     . 0 0 "[    .    1    .    2]" 1 
       764 1 66 CYS H   1 67 LEU QD   7.830 .  8.505 4.640 3.905 5.629     . 0 0 "[    .    1    .    2]" 1 
       765 1 66 CYS H   1 70 HIS CE1  4.500 .  5.000 4.700 4.652 4.825     . 0 0 "[    .    1    .    2]" 1 
       766 1 66 CYS HA  1 67 LEU H    2.800 .  3.300 2.203 2.052 2.288     . 0 0 "[    .    1    .    2]" 1 
       767 1 66 CYS HA  1 68 PHE H    4.600 .  5.100 4.245 3.884 4.478     . 0 0 "[    .    1    .    2]" 1 
       768 1 66 CYS QB  1 70 HIS CE1  3.696 .  4.256 2.854 2.701 3.013     . 0 0 "[    .    1    .    2]" 1 
       769 1 67 LEU H   1 67 LEU HG   3.800 .  4.300 2.515 2.238 3.818     . 0 0 "[    .    1    .    2]" 1 
       770 1 67 LEU H   1 68 PHE H    3.100 .  3.600 2.781 2.306 3.134     . 0 0 "[    .    1    .    2]" 1 
       771 1 67 LEU HA  1 68 PHE H    3.300 .  3.800 3.036 2.498 3.432     . 0 0 "[    .    1    .    2]" 1 
       772 1 67 LEU QB  1 68 PHE H    5.600 .  6.160 3.503 2.852 3.885     . 0 0 "[    .    1    .    2]" 1 
       773 1 67 LEU QD  1 68 PHE H    8.100 .  8.775 4.191 3.930 4.449     . 0 0 "[    .    1    .    2]" 1 
       774 1 68 PHE H   1 70 HIS CE1  4.500 .  5.000 4.500 4.249 4.647     . 0 0 "[    .    1    .    2]" 1 
       775 1 68 PHE HA  1 69 ARG H    3.200 .  3.700 2.317 2.250 2.395     . 0 0 "[    .    1    .    2]" 1 
       776 1 68 PHE QB  1 69 ARG H    3.920 .  4.480 2.720 2.454 2.865     . 0 0 "[    .    1    .    2]" 1 
       777 1 68 PHE QB  1 69 ARG H    3.893 .  4.523 2.620 2.381 2.761     . 0 0 "[    .    1    .    2]" 1 
       778 1 69 ARG HA  1 70 HIS H    2.600 .  3.100 2.329 2.229 2.453     . 0 0 "[    .    1    .    2]" 1 
       779 1 69 ARG QB  1 70 HIS H    3.584 .  4.144 2.585 2.357 3.040     . 0 0 "[    .    1    .    2]" 1 
       780 1 69 ARG QD  1 70 HIS H    5.998 .  6.628 3.850 3.513 4.156     . 0 0 "[    .    1    .    2]" 1 
       781 1 70 HIS H   1 71 PRO QD   5.376 .  5.936 4.393 4.299 4.455     . 0 0 "[    .    1    .    2]" 1 
       782 1 70 HIS HA  1 71 PRO QB   5.376 .  5.936 4.795 4.582 4.859     . 0 0 "[    .    1    .    2]" 1 
       783 1 70 HIS HA  1 71 PRO QD   4.480 .  5.040 2.023 1.987 2.186     . 0 0 "[    .    1    .    2]" 1 
       784 1 70 HIS HA  1 71 PRO QG   4.928 .  5.488 3.906 3.832 4.122     . 0 0 "[    .    1    .    2]" 1 
       785 1 70 HIS QB  1 71 PRO QD   5.645 .  6.272 2.554 2.199 2.904     . 0 0 "[    .    1    .    2]" 1 
       786 1 70 HIS HD2 1 71 PRO QD   4.704 .  5.264 3.630 3.326 3.783     . 0 0 "[    .    1    .    2]" 1 
       787 1 71 PRO HA  1 72 PRO QD   4.144 .  4.704 2.159 2.016 2.250     . 0 0 "[    .    1    .    2]" 1 
       788 1 71 PRO QB  1 72 PRO QD   5.268 .  5.896 2.283 2.184 2.475     . 0 0 "[    .    1    .    2]" 1 
       789 1 71 PRO QB  1 74 ARG QB   6.397 .  7.025 4.252 3.220 5.080     . 0 0 "[    .    1    .    2]" 1 
       790 1 71 PRO QD  1 72 PRO QD   5.770 .  6.397 4.617 4.602 4.634     . 0 0 "[    .    1    .    2]" 1 
       791 1 71 PRO QD  1 74 ARG QB   6.774 .  7.401 3.760 3.135 4.253     . 0 0 "[    .    1    .    2]" 1 
       792 1 72 PRO HA  1 73 GLY H    2.800 .  3.300 2.331 2.250 2.439     . 0 0 "[    .    1    .    2]" 1 
       793 1 72 PRO HA  1 74 ARG H    4.700 .  5.200 3.467 3.293 3.709     . 0 0 "[    .    1    .    2]" 1 
       794 1 72 PRO QB  1 73 GLY H    5.264 .  5.824 2.800 2.539 3.003     . 0 0 "[    .    1    .    2]" 1 
       795 1 72 PRO QG  1 73 GLY H    5.488 .  6.048 4.355 4.108 4.587     . 0 0 "[    .    1    .    2]" 1 
       796 1 73 GLY H   1 74 ARG H    3.100 .  3.600 2.651 2.543 2.818     . 0 0 "[    .    1    .    2]" 1 
       797 1 73 GLY QA  1 74 ARG H    4.704 .  5.264 2.907 2.837 2.971     . 0 0 "[    .    1    .    2]" 1 
       798 1 74 ARG H   1 75 VAL H    4.500 .  5.000 4.544 4.485 4.580     . 0 0 "[    .    1    .    2]" 1 
       799 1 74 ARG H   1 75 VAL HA   5.200 .  5.700 5.287 5.224 5.316     . 0 0 "[    .    1    .    2]" 1 
       800 1 74 ARG HA  1 75 VAL H    3.200 .  3.700 2.387 2.133 2.555     . 0 0 "[    .    1    .    2]" 1 
       801 1 74 ARG HA  1 75 VAL QG   6.750 .  7.425 3.537 3.248 3.857     . 0 0 "[    .    1    .    2]" 1 
       802 1 74 ARG HA  1 75 VAL QG   8.334 .  9.090 3.383 3.153 3.676     . 0 0 "[    .    1    .    2]" 1 
       803 1 74 ARG QB  1 75 VAL H    4.480 .  5.040 2.517 2.119 3.727     . 0 0 "[    .    1    .    2]" 1 
       804 1 74 ARG QB  1 76 LEU QD   7.106 .  7.862 3.972 3.308 4.366     . 0 0 "[    .    1    .    2]" 1 
       805 1 74 ARG QB  1 76 LEU QD   9.087 .  9.936 3.812 3.263 4.136     . 0 0 "[    .    1    .    2]" 1 
       806 1 74 ARG QD  1 75 VAL H    5.600 .  6.160 4.117 3.379 4.791     . 0 0 "[    .    1    .    2]" 1 
       807 1 74 ARG QD  1 76 LEU QD   7.711 .  8.467 2.964 2.268 3.651     . 0 0 "[    .    1    .    2]" 1 
       808 1 74 ARG HE  1 76 LEU QD   6.885 .  7.560 3.479 2.213 5.122     . 0 0 "[    .    1    .    2]" 1 
       809 1 74 ARG QG  1 75 VAL H    4.816 .  5.376 3.406 2.627 4.336     . 0 0 "[    .    1    .    2]" 1 
       810 1 75 VAL H   1 76 LEU H    4.400 .  4.900 4.350 4.232 4.507     . 0 0 "[    .    1    .    2]" 1 
       811 1 75 VAL H   1 76 LEU QD   7.965 .  8.640 4.379 4.161 4.733     . 0 0 "[    .    1    .    2]" 1 
       812 1 75 VAL HA  1 76 LEU H    2.900 .  3.400 2.128 2.047 2.227     . 0 0 "[    .    1    .    2]" 1 
       813 1 75 VAL HA  1 76 LEU QB   4.704 .  5.264 4.200 4.030 4.246     . 0 0 "[    .    1    .    2]" 1 
       814 1 75 VAL HA  1 76 LEU QD   7.155 .  7.830 4.491 4.299 4.624     . 0 0 "[    .    1    .    2]" 1 
       815 1 75 VAL HA  1 76 LEU HG   4.300 .  4.800 4.098 3.814 4.310     . 0 0 "[    .    1    .    2]" 1 
       816 1 75 VAL HB  1 76 LEU H    4.000 .  4.500 4.041 3.980 4.165     . 0 0 "[    .    1    .    2]" 1 
       817 1 75 VAL QG  1 76 LEU H    5.670 .  6.210 2.480 2.254 2.850     . 0 0 "[    .    1    .    2]" 1 
       818 1 75 VAL QG  1 76 LEU HA   7.965 .  8.640 3.565 3.400 3.796     . 0 0 "[    .    1    .    2]" 1 
       819 1 75 VAL QG  1 76 LEU QB   7.862 .  8.618 4.225 4.042 4.466     . 0 0 "[    .    1    .    2]" 1 
       820 1 75 VAL QG  1 76 LEU QB   8.338 .  9.147 3.904 3.756 4.045     . 0 0 "[    .    1    .    2]" 1 
       821 1 75 VAL QG  1 76 LEU HG   7.020 .  7.695 4.599 4.401 4.729     . 0 0 "[    .    1    .    2]" 1 
       822 1 75 VAL QG  1 77 PRO HA   7.425 .  8.100 4.381 3.997 4.943     . 0 0 "[    .    1    .    2]" 1 
       823 1 76 LEU H   1 77 PRO QD   5.376 .  5.936 4.336 3.699 4.441     . 0 0 "[    .    1    .    2]" 1 
       824 1 76 LEU HA  1 77 PRO QD   3.808 .  4.368 2.104 1.999 2.188     . 0 0 "[    .    1    .    2]" 1 
       825 1 76 LEU HA  1 77 PRO QG   4.704 .  5.264 4.034 3.868 4.127     . 0 0 "[    .    1    .    2]" 1 
       826 1 76 LEU QB  1 77 PRO QD   5.018 .  5.645 2.554 2.271 3.489     . 0 0 "[    .    1    .    2]" 1 
       827 1 76 LEU QD  1 77 PRO QB   8.165 .  8.921 5.004 4.547 5.436     . 0 0 "[    .    1    .    2]" 1 
       828 1 76 LEU QD  1 77 PRO QD   6.199 .  6.955 2.614 2.358 3.039     . 0 0 "[    .    1    .    2]" 1 
       829 1 76 LEU QD  1 77 PRO QG   7.106 .  7.862 4.062 3.846 4.514     . 0 0 "[    .    1    .    2]" 1 
       830 1 77 PRO HA  1 78 GLU H    2.400 .  2.900 2.260 2.108 2.392     . 0 0 "[    .    1    .    2]" 1 
       831 1 77 PRO QB  1 78 GLU H    4.256 .  4.816 3.014 2.686 3.932     . 0 0 "[    .    1    .    2]" 1 
       832 1 78 GLU HA  1 79 LYS H    2.500 .  3.000 2.332 2.193 2.634     . 0 0 "[    .    1    .    2]" 1 
       833 1 78 GLU QB  1 79 LYS H    4.704 .  5.264 3.294 2.369 3.955     . 0 0 "[    .    1    .    2]" 1 
       834 1 78 GLU QG  1 79 LYS H    5.376 .  5.936 3.702 2.307 4.482     . 0 0 "[    .    1    .    2]" 1 
       835 1 79 LYS H   1 80 LYS H    4.500 .  5.000 3.953 2.743 4.601     . 0 0 "[    .    1    .    2]" 1 
       836 1 79 LYS HA  1 80 LYS H    2.700 .  3.200 2.334 2.103 2.720     . 0 0 "[    .    1    .    2]" 1 
       837 1 79 LYS QB  1 80 LYS H    5.264 .  5.824 3.455 2.233 4.052     . 0 0 "[    .    1    .    2]" 1 
    stop_

save_



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