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
442508 2kcx 16099 cing 4-filtered-FRED Wattos check violation distance


data_2kcx


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              937
    _Distance_constraint_stats_list.Viol_count                    186
    _Distance_constraint_stats_list.Viol_total                    143.227
    _Distance_constraint_stats_list.Viol_max                      0.195
    _Distance_constraint_stats_list.Viol_rms                      0.0051
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0004
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0385
    _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  2 ASP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  3 SER 0.340 0.138  8 0 "[    .    1    .    2]" 
       1  4 CYS 1.987 0.195  4 0 "[    .    1    .    2]" 
       1  5 ASP 0.142 0.082  1 0 "[    .    1    .    2]" 
       1  6 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  7 VAL 1.193 0.173  1 0 "[    .    1    .    2]" 
       1  8 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  9 CYS 0.111 0.036 17 0 "[    .    1    .    2]" 
       1 10 GLY 0.023 0.020  9 0 "[    .    1    .    2]" 
       1 11 PRO 0.002 0.002  9 0 "[    .    1    .    2]" 
       1 12 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 13 LYS 1.184 0.136 12 0 "[    .    1    .    2]" 
       1 14 ALA 0.070 0.029  5 0 "[    .    1    .    2]" 
       1 15 CYS 0.671 0.195  4 0 "[    .    1    .    2]" 
       1 16 ARG 0.333 0.093  7 0 "[    .    1    .    2]" 
       1 17 MET 0.752 0.093  7 0 "[    .    1    .    2]" 
       1 18 LEU 0.501 0.086  5 0 "[    .    1    .    2]" 
       1 19 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 20 GLY 0.052 0.021 12 0 "[    .    1    .    2]" 
       1 21 ARG 0.083 0.048  7 0 "[    .    1    .    2]" 
       1 22 PRO 0.287 0.057  2 0 "[    .    1    .    2]" 
       1 23 ARG 0.031 0.022 20 0 "[    .    1    .    2]" 
       1 24 CYS 0.234 0.054 17 0 "[    .    1    .    2]" 
       1 25 GLU 0.874 0.136 12 0 "[    .    1    .    2]" 
       1 26 CYS 0.039 0.025  9 0 "[    .    1    .    2]" 
       1 27 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 28 PRO 0.084 0.046 13 0 "[    .    1    .    2]" 
       1 29 ASP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 30 CYS 0.165 0.101  8 0 "[    .    1    .    2]" 
       1 31 SER 0.010 0.010 15 0 "[    .    1    .    2]" 
       1 32 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 33 LEU 0.495 0.111 15 0 "[    .    1    .    2]" 
       1 34 PRO 0.309 0.054 13 0 "[    .    1    .    2]" 
       1 35 ALA 0.137 0.064 16 0 "[    .    1    .    2]" 
       1 36 ARG 0.099 0.064 16 0 "[    .    1    .    2]" 
       1 37 LEU 0.430 0.054 13 0 "[    .    1    .    2]" 
       1 38 GLN 0.252 0.064  1 0 "[    .    1    .    2]" 
       1 39 VAL 0.227 0.069 11 0 "[    .    1    .    2]" 
       1 40 CYS 0.066 0.038  9 0 "[    .    1    .    2]" 
       1 41 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 42 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 43 ASP 0.069 0.069 20 0 "[    .    1    .    2]" 
       1 44 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 45 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 46 THR 0.006 0.006  9 0 "[    .    1    .    2]" 
       1 47 TYR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 48 ARG 0.112 0.034 16 0 "[    .    1    .    2]" 
       1 49 ASP 0.060 0.054 13 0 "[    .    1    .    2]" 
       1 50 GLU 0.372 0.135  2 0 "[    .    1    .    2]" 
       1 51 CYS 0.297 0.135  2 0 "[    .    1    .    2]" 
       1 52 GLU 0.043 0.025  7 0 "[    .    1    .    2]" 
       1 53 LEU 0.146 0.052 15 0 "[    .    1    .    2]" 
       1 54 ARG 0.250 0.111 15 0 "[    .    1    .    2]" 
       1 55 ALA 0.085 0.046 13 0 "[    .    1    .    2]" 
       1 56 ALA 0.070 0.060  3 0 "[    .    1    .    2]" 
       1 57 ARG 0.215 0.062  3 0 "[    .    1    .    2]" 
       1 58 CYS 0.025 0.025  9 0 "[    .    1    .    2]" 
       1 59 ARG 0.070 0.060  3 0 "[    .    1    .    2]" 
       1 60 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 61 HIS 0.119 0.062  3 0 "[    .    1    .    2]" 
       1 62 PRO 0.096 0.034  1 0 "[    .    1    .    2]" 
       1 63 ASP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 64 LEU 0.079 0.069 20 0 "[    .    1    .    2]" 
       1 65 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 66 VAL 0.022 0.016  2 0 "[    .    1    .    2]" 
       1 67 MET 0.038 0.038  9 0 "[    .    1    .    2]" 
       1 68 TYR 0.072 0.047  1 0 "[    .    1    .    2]" 
       1 69 ARG 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 70 GLY 0.034 0.019  1 0 "[    .    1    .    2]" 
       1 71 ARG 0.185 0.064  1 0 "[    .    1    .    2]" 
       1 72 CYS 0.220 0.083  5 0 "[    .    1    .    2]" 
       1 73 ARG 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 74 LYS 0.220 0.083  5 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  2 ASP HA   1  3 SER H   3.250 . 3.580 2.269 2.137 2.547     .  0 0 "[    .    1    .    2]" 1 
         2 1  2 ASP QB   1  3 SER H   3.760 . 4.140 3.217 2.137 4.028     .  0 0 "[    .    1    .    2]" 1 
         3 1  2 ASP HB2  1  3 SER H   4.280 . 4.710 3.966 2.656 4.639     .  0 0 "[    .    1    .    2]" 1 
         4 1  2 ASP HB3  1  3 SER H   4.280 . 4.710 3.563 2.164 4.421     .  0 0 "[    .    1    .    2]" 1 
         5 1  3 SER H    1  3 SER HB2 4.130 . 4.540 3.049 2.475 3.940     .  0 0 "[    .    1    .    2]" 1 
         6 1  3 SER H    1  3 SER QB  3.620 . 3.980 2.707 2.437 3.181     .  0 0 "[    .    1    .    2]" 1 
         7 1  3 SER H    1  3 SER HB3 4.130 . 4.540 3.453 2.647 3.944     .  0 0 "[    .    1    .    2]" 1 
         8 1  3 SER H    1  4 CYS H   4.650 . 5.120 4.422 4.109 4.620     .  0 0 "[    .    1    .    2]" 1 
         9 1  3 SER HA   1  4 CYS H   3.030 . 3.330 2.330 2.154 2.785     .  0 0 "[    .    1    .    2]" 1 
        10 1  3 SER QB   1  4 CYS H   3.180 . 3.500 2.917 1.829 3.638 0.138  8 0 "[    .    1    .    2]" 1 
        11 1  3 SER QB   1  5 ASP H   5.200 . 5.720 5.332 4.777 5.802 0.082  1 0 "[    .    1    .    2]" 1 
        12 1  3 SER HB2  1  4 CYS H   3.960 . 4.360 3.698 2.635 4.327     .  0 0 "[    .    1    .    2]" 1 
        13 1  3 SER HB3  1  4 CYS H   3.960 . 4.360 3.287 1.845 4.400 0.040  4 0 "[    .    1    .    2]" 1 
        14 1  4 CYS H    1  4 CYS HB2 3.910 . 4.300 2.740 2.420 3.838     .  0 0 "[    .    1    .    2]" 1 
        15 1  4 CYS H    1  4 CYS QB  3.080 . 3.390 2.627 2.388 3.176     .  0 0 "[    .    1    .    2]" 1 
        16 1  4 CYS H    1  4 CYS HB3 3.910 . 4.300 3.684 3.070 3.894     .  0 0 "[    .    1    .    2]" 1 
        17 1  4 CYS H    1  5 ASP H   4.350 . 4.790 4.430 4.272 4.531     .  0 0 "[    .    1    .    2]" 1 
        18 1  4 CYS HA   1  7 VAL H   5.350 . 5.890 4.847 4.564 5.300     .  0 0 "[    .    1    .    2]" 1 
        19 1  4 CYS HA   1  7 VAL HB  4.420 . 4.860 4.210 3.756 4.642     .  0 0 "[    .    1    .    2]" 1 
        20 1  4 CYS HA   1  7 VAL MG2 3.610 . 3.970 3.985 3.669 4.143 0.173  1 0 "[    .    1    .    2]" 1 
        21 1  4 CYS HA   1 15 CYS QB  4.330 . 4.760 4.255 3.120 4.955 0.195  4 0 "[    .    1    .    2]" 1 
        22 1  4 CYS HA   1 22 PRO QG  4.570 . 5.030 3.670 2.139 5.079 0.049 12 0 "[    .    1    .    2]" 1 
        23 1  4 CYS QB   1  5 ASP H   4.270 . 4.700 3.137 2.176 3.289     .  0 0 "[    .    1    .    2]" 1 
        24 1  4 CYS QB   1  7 VAL MG2 4.360 . 4.800 2.662 2.013 3.171     .  0 0 "[    .    1    .    2]" 1 
        25 1  4 CYS QB   1 15 CYS H   5.340 . 5.870 5.225 4.752 5.686     .  0 0 "[    .    1    .    2]" 1 
        26 1  4 CYS QB   1 15 CYS QB  3.450 . 3.790 2.874 1.785 3.294     .  0 0 "[    .    1    .    2]" 1 
        27 1  5 ASP H    1  5 ASP HB2 3.620 . 3.980 2.635 2.344 3.599     .  0 0 "[    .    1    .    2]" 1 
        28 1  5 ASP H    1  5 ASP QB  2.960 . 3.260 2.369 2.200 2.789     .  0 0 "[    .    1    .    2]" 1 
        29 1  5 ASP H    1  5 ASP HB3 3.620 . 3.980 2.920 2.360 3.649     .  0 0 "[    .    1    .    2]" 1 
        30 1  5 ASP H    1  6 GLY H   4.680 . 5.150 4.413 4.367 4.514     .  0 0 "[    .    1    .    2]" 1 
        31 1  5 ASP H    1  7 VAL MG2 4.770 . 5.250 3.384 3.113 3.798     .  0 0 "[    .    1    .    2]" 1 
        32 1  5 ASP H    1 22 PRO HB3 4.700 . 5.170 3.527 2.577 4.389     .  0 0 "[    .    1    .    2]" 1 
        33 1  5 ASP HA   1  6 GLY H   3.090 . 3.400 2.176 2.144 2.203     .  0 0 "[    .    1    .    2]" 1 
        34 1  5 ASP HA   1  6 GLY HA2 4.780 . 5.260 4.410 4.379 4.436     .  0 0 "[    .    1    .    2]" 1 
        35 1  5 ASP HA   1  6 GLY HA3 4.780 . 5.260 4.396 4.347 4.428     .  0 0 "[    .    1    .    2]" 1 
        36 1  5 ASP HA   1  7 VAL H   4.270 . 4.700 3.903 3.508 4.140     .  0 0 "[    .    1    .    2]" 1 
        37 1  5 ASP QB   1  6 GLY H   3.940 . 4.330 3.736 3.434 3.937     .  0 0 "[    .    1    .    2]" 1 
        38 1  5 ASP HB2  1  6 GLY H   4.620 . 5.080 4.355 3.663 4.511     .  0 0 "[    .    1    .    2]" 1 
        39 1  5 ASP HB3  1  6 GLY H   4.620 . 5.080 4.113 3.596 4.454     .  0 0 "[    .    1    .    2]" 1 
        40 1  6 GLY H    1  7 VAL H   3.650 . 4.020 3.002 2.727 3.339     .  0 0 "[    .    1    .    2]" 1 
        41 1  6 GLY QA   1  7 VAL MG1 5.340 . 5.870 5.273 5.128 5.326     .  0 0 "[    .    1    .    2]" 1 
        42 1  7 VAL H    1  7 VAL HB  3.080 . 3.390 2.659 2.540 2.858     .  0 0 "[    .    1    .    2]" 1 
        43 1  7 VAL H    1  7 VAL MG1 3.870 . 4.260 3.823 3.755 3.895     .  0 0 "[    .    1    .    2]" 1 
        44 1  7 VAL H    1  7 VAL MG2 3.060 . 3.370 2.214 1.796 2.646     .  0 0 "[    .    1    .    2]" 1 
        45 1  7 VAL H    1  8 GLU HA  5.500 . 6.050 5.235 4.885 5.556     .  0 0 "[    .    1    .    2]" 1 
        46 1  7 VAL HA   1  7 VAL MG1 3.160 . 3.480 2.355 2.262 2.449     .  0 0 "[    .    1    .    2]" 1 
        47 1  7 VAL HA   1  7 VAL MG2 3.110 . 3.420 2.478 2.360 2.636     .  0 0 "[    .    1    .    2]" 1 
        48 1  7 VAL HA   1  8 GLU H   2.770 . 3.050 2.192 2.151 2.270     .  0 0 "[    .    1    .    2]" 1 
        49 1  7 VAL HA   1  8 GLU QB  4.690 . 5.160 4.373 4.057 4.538     .  0 0 "[    .    1    .    2]" 1 
        50 1  7 VAL HB   1  8 GLU H   4.400 . 4.840 4.108 3.763 4.351     .  0 0 "[    .    1    .    2]" 1 
        51 1  7 VAL HB   1  8 GLU HA  5.150 . 5.670 4.853 4.553 5.125     .  0 0 "[    .    1    .    2]" 1 
        52 1  7 VAL HB   1 15 CYS HB2 4.530 . 4.980 3.935 3.269 5.024 0.044 18 0 "[    .    1    .    2]" 1 
        53 1  7 VAL HB   1 15 CYS QB  3.750 . 4.130 3.455 3.045 4.049     .  0 0 "[    .    1    .    2]" 1 
        54 1  7 VAL HB   1 15 CYS HB3 4.530 . 4.980 3.898 3.384 4.709     .  0 0 "[    .    1    .    2]" 1 
        55 1  7 VAL MG1  1  8 GLU H   3.460 . 3.810 2.693 2.227 3.238     .  0 0 "[    .    1    .    2]" 1 
        56 1  7 VAL MG1  1  8 GLU HA  4.600 . 5.060 3.963 3.617 4.172     .  0 0 "[    .    1    .    2]" 1 
        57 1  7 VAL MG1  1  8 GLU QB  5.340 . 5.870 4.313 3.795 4.720     .  0 0 "[    .    1    .    2]" 1 
        58 1  7 VAL MG1  1 15 CYS HB2 4.270 . 4.700 3.311 2.362 4.706 0.006 18 0 "[    .    1    .    2]" 1 
        59 1  7 VAL MG1  1 15 CYS QB  3.480 . 3.830 2.771 1.864 3.632     .  0 0 "[    .    1    .    2]" 1 
        60 1  7 VAL MG1  1 15 CYS HB3 4.270 . 4.700 3.088 1.951 4.060     .  0 0 "[    .    1    .    2]" 1 
        61 1  7 VAL MG1  1 22 PRO HB2 4.250 . 4.680 3.598 2.946 4.206     .  0 0 "[    .    1    .    2]" 1 
        62 1  7 VAL MG1  1 22 PRO HB3 5.140 . 5.650 4.998 3.964 5.693 0.043  6 0 "[    .    1    .    2]" 1 
        63 1  7 VAL MG1  1 22 PRO QG  4.560 . 5.020 4.168 3.499 4.782     .  0 0 "[    .    1    .    2]" 1 
        64 1  7 VAL MG2  1  8 GLU H   4.600 . 5.060 4.149 3.912 4.339     .  0 0 "[    .    1    .    2]" 1 
        65 1  7 VAL MG2  1 22 PRO HA  4.950 . 5.440 4.527 4.182 5.377     .  0 0 "[    .    1    .    2]" 1 
        66 1  7 VAL MG2  1 22 PRO HB2 3.530 . 3.880 2.312 1.652 3.310     .  0 0 "[    .    1    .    2]" 1 
        67 1  7 VAL MG2  1 22 PRO HB3 3.840 . 4.220 3.575 2.994 4.238 0.018  8 0 "[    .    1    .    2]" 1 
        68 1  7 VAL MG2  1 22 PRO HG2 4.000 . 4.400 2.379 1.749 2.777     .  0 0 "[    .    1    .    2]" 1 
        69 1  7 VAL MG2  1 22 PRO QG  3.190 . 3.510 2.283 1.733 2.648     .  0 0 "[    .    1    .    2]" 1 
        70 1  7 VAL MG2  1 22 PRO HG3 4.000 . 4.400 3.126 2.550 3.862     .  0 0 "[    .    1    .    2]" 1 
        71 1  8 GLU H    1  8 GLU HB2 3.710 . 4.080 2.957 2.357 3.753     .  0 0 "[    .    1    .    2]" 1 
        72 1  8 GLU H    1  8 GLU QB  3.130 . 3.440 2.557 2.239 2.996     .  0 0 "[    .    1    .    2]" 1 
        73 1  8 GLU H    1  8 GLU HB3 3.710 . 4.080 3.189 2.348 3.714     .  0 0 "[    .    1    .    2]" 1 
        74 1  8 GLU H    1  8 GLU HG2 5.350 . 5.890 3.323 1.907 4.630     .  0 0 "[    .    1    .    2]" 1 
        75 1  8 GLU H    1  8 GLU QG  4.590 . 5.050 2.861 1.878 4.200     .  0 0 "[    .    1    .    2]" 1 
        76 1  8 GLU H    1  8 GLU HG3 5.350 . 5.890 3.532 2.623 4.840     .  0 0 "[    .    1    .    2]" 1 
        77 1  8 GLU H    1  9 CYS H   4.770 . 5.250 4.271 4.159 4.355     .  0 0 "[    .    1    .    2]" 1 
        78 1  8 GLU HA   1  8 GLU QG  3.680 . 4.050 2.896 2.424 3.552     .  0 0 "[    .    1    .    2]" 1 
        79 1  8 GLU HA   1  9 CYS H   3.300 . 3.630 2.173 2.127 2.211     .  0 0 "[    .    1    .    2]" 1 
        80 1  9 CYS H    1  9 CYS HB3 4.130 . 4.540 3.902 3.813 3.964     .  0 0 "[    .    1    .    2]" 1 
        81 1  9 CYS H    1 10 GLY H   4.550 . 5.010 4.372 4.279 4.461     .  0 0 "[    .    1    .    2]" 1 
        82 1  9 CYS HA   1 10 GLY H   3.130 . 3.440 2.362 2.173 2.633     .  0 0 "[    .    1    .    2]" 1 
        83 1  9 CYS HA   1 13 LYS H   4.940 . 5.430 4.766 3.958 5.435 0.005 18 0 "[    .    1    .    2]" 1 
        84 1  9 CYS HA   1 13 LYS QE  4.130 . 4.540 3.199 1.896 4.541 0.001 17 0 "[    .    1    .    2]" 1 
        85 1  9 CYS HB2  1 10 GLY H   4.310 . 4.740 3.774 3.164 4.188     .  0 0 "[    .    1    .    2]" 1 
        86 1  9 CYS HB2  1 13 LYS HB2 4.430 . 4.870 4.553 4.174 4.906 0.036 17 0 "[    .    1    .    2]" 1 
        87 1  9 CYS HB2  1 14 ALA H   5.360 . 5.900 5.535 4.790 5.929 0.029  5 0 "[    .    1    .    2]" 1 
        88 1  9 CYS HB2  1 14 ALA HA  3.930 . 4.320 3.801 3.212 4.336 0.016 12 0 "[    .    1    .    2]" 1 
        89 1  9 CYS HB3  1 10 GLY H   4.290 . 4.720 2.671 1.967 3.073     .  0 0 "[    .    1    .    2]" 1 
        90 1  9 CYS HB3  1 13 LYS HA  4.620 . 5.080 4.629 4.114 5.077     .  0 0 "[    .    1    .    2]" 1 
        91 1  9 CYS HB3  1 13 LYS HB2 3.570 . 3.930 2.939 2.491 3.542     .  0 0 "[    .    1    .    2]" 1 
        92 1  9 CYS HB3  1 13 LYS HB3 4.390 . 4.830 3.128 2.348 3.836     .  0 0 "[    .    1    .    2]" 1 
        93 1  9 CYS HB3  1 13 LYS HG3 5.500 . 6.050 5.303 4.786 5.846     .  0 0 "[    .    1    .    2]" 1 
        94 1  9 CYS HB3  1 14 ALA H   4.550 . 5.010 4.259 3.667 4.742     .  0 0 "[    .    1    .    2]" 1 
        95 1  9 CYS HB3  1 14 ALA HA  3.940 . 4.330 3.177 2.626 3.720     .  0 0 "[    .    1    .    2]" 1 
        96 1 10 GLY H    1 11 PRO HD2 4.620 . 5.080 3.139 2.121 4.219     .  0 0 "[    .    1    .    2]" 1 
        97 1 10 GLY H    1 11 PRO QD  4.000 . 4.400 3.008 2.039 3.870     .  0 0 "[    .    1    .    2]" 1 
        98 1 10 GLY H    1 11 PRO HD3 4.620 . 5.080 4.020 2.641 4.805     .  0 0 "[    .    1    .    2]" 1 
        99 1 10 GLY H    1 11 PRO QG  5.190 . 5.710 4.706 3.575 5.712 0.002  9 0 "[    .    1    .    2]" 1 
       100 1 10 GLY H    1 14 ALA HA  4.770 . 5.250 4.379 3.234 5.270 0.020  9 0 "[    .    1    .    2]" 1 
       101 1 10 GLY HA2  1 11 PRO QD  3.550 . 3.900 3.398 2.838 3.539     .  0 0 "[    .    1    .    2]" 1 
       102 1 10 GLY HA3  1 11 PRO HD2 3.280 . 3.610 2.715 2.244 3.548     .  0 0 "[    .    1    .    2]" 1 
       103 1 10 GLY HA3  1 11 PRO QD  2.860 . 3.150 2.107 1.796 2.399     .  0 0 "[    .    1    .    2]" 1 
       104 1 10 GLY HA3  1 11 PRO HD3 3.280 . 3.610 2.258 1.816 2.674     .  0 0 "[    .    1    .    2]" 1 
       105 1 11 PRO HA   1 12 GLY H   3.510 . 3.860 2.565 2.179 3.606     .  0 0 "[    .    1    .    2]" 1 
       106 1 11 PRO HA   1 12 GLY HA2 5.310 . 5.840 4.475 4.384 4.742     .  0 0 "[    .    1    .    2]" 1 
       107 1 11 PRO HA   1 12 GLY HA3 5.310 . 5.840 4.596 4.316 5.387     .  0 0 "[    .    1    .    2]" 1 
       108 1 11 PRO HA   1 13 LYS H   5.200 . 5.720 4.251 3.850 5.281     .  0 0 "[    .    1    .    2]" 1 
       109 1 12 GLY H    1 13 LYS H   3.990 . 4.390 2.665 2.274 3.472     .  0 0 "[    .    1    .    2]" 1 
       110 1 12 GLY HA2  1 13 LYS HA  4.610 . 5.070 4.511 4.423 4.591     .  0 0 "[    .    1    .    2]" 1 
       111 1 12 GLY HA3  1 13 LYS HA  4.610 . 5.070 4.591 4.451 4.676     .  0 0 "[    .    1    .    2]" 1 
       112 1 13 LYS H    1 13 LYS HB2 3.540 . 3.890 2.748 2.631 2.889     .  0 0 "[    .    1    .    2]" 1 
       113 1 13 LYS H    1 13 LYS HE2 5.500 . 6.050 4.706 4.355 5.279     .  0 0 "[    .    1    .    2]" 1 
       114 1 13 LYS H    1 13 LYS HE3 5.500 . 6.050 4.593 4.274 5.779     .  0 0 "[    .    1    .    2]" 1 
       115 1 13 LYS H    1 13 LYS HG2 4.690 . 5.160 4.236 3.910 4.518     .  0 0 "[    .    1    .    2]" 1 
       116 1 13 LYS H    1 13 LYS HG3 3.710 . 4.080 3.325 2.990 3.608     .  0 0 "[    .    1    .    2]" 1 
       117 1 13 LYS H    1 26 CYS HA  5.500 . 6.050 4.973 4.500 5.601     .  0 0 "[    .    1    .    2]" 1 
       118 1 13 LYS H    1 27 ALA H   5.480 . 6.030 4.175 3.718 4.465     .  0 0 "[    .    1    .    2]" 1 
       119 1 13 LYS HA   1 13 LYS HD2 4.690 . 5.160 4.342 4.026 4.439     .  0 0 "[    .    1    .    2]" 1 
       120 1 13 LYS HA   1 13 LYS HG2 3.810 . 4.190 2.530 2.435 2.624     .  0 0 "[    .    1    .    2]" 1 
       121 1 13 LYS HA   1 13 LYS HG3 3.420 . 3.760 3.073 2.826 3.414     .  0 0 "[    .    1    .    2]" 1 
       122 1 13 LYS HA   1 14 ALA H   3.120 . 3.430 2.195 2.146 2.308     .  0 0 "[    .    1    .    2]" 1 
       123 1 13 LYS HA   1 14 ALA MB  4.360 . 4.800 4.000 3.932 4.057     .  0 0 "[    .    1    .    2]" 1 
       124 1 13 LYS HA   1 26 CYS HA  3.730 . 4.100 2.729 2.187 3.337     .  0 0 "[    .    1    .    2]" 1 
       125 1 13 LYS HA   1 27 ALA H   3.460 . 3.810 2.284 1.939 2.870     .  0 0 "[    .    1    .    2]" 1 
       126 1 13 LYS HA   1 27 ALA MB  4.120 . 4.530 3.050 2.477 3.813     .  0 0 "[    .    1    .    2]" 1 
       127 1 13 LYS HB2  1 13 LYS HD2 3.490 . 3.840 3.108 2.934 3.415     .  0 0 "[    .    1    .    2]" 1 
       128 1 13 LYS HB2  1 13 LYS HE2 4.200 . 4.620 2.869 2.035 3.093     .  0 0 "[    .    1    .    2]" 1 
       129 1 13 LYS HB2  1 13 LYS QE  3.690 . 4.060 1.975 1.831 2.239     .  0 0 "[    .    1    .    2]" 1 
       130 1 13 LYS HB2  1 13 LYS HE3 4.200 . 4.620 2.090 1.854 3.641     .  0 0 "[    .    1    .    2]" 1 
       131 1 13 LYS HB2  1 14 ALA H   4.200 . 4.620 4.097 3.824 4.227     .  0 0 "[    .    1    .    2]" 1 
       132 1 13 LYS HB3  1 13 LYS HE2 4.440 . 4.880 3.892 2.901 4.168     .  0 0 "[    .    1    .    2]" 1 
       133 1 13 LYS HB3  1 13 LYS QE  3.790 . 4.170 2.769 2.347 3.056     .  0 0 "[    .    1    .    2]" 1 
       134 1 13 LYS HB3  1 13 LYS HE3 4.440 . 4.880 2.890 2.379 4.133     .  0 0 "[    .    1    .    2]" 1 
       135 1 13 LYS HB3  1 14 ALA H   4.170 . 4.590 3.027 2.536 3.153     .  0 0 "[    .    1    .    2]" 1 
       136 1 13 LYS HB3  1 24 CYS HB3 4.760 . 5.240 2.547 1.795 4.258     .  0 0 "[    .    1    .    2]" 1 
       137 1 13 LYS HB3  1 25 GLU H   4.500 . 4.950 3.698 3.228 4.558     .  0 0 "[    .    1    .    2]" 1 
       138 1 13 LYS HD2  1 24 CYS HB2 4.540 . 4.990 3.629 2.704 4.535     .  0 0 "[    .    1    .    2]" 1 
       139 1 13 LYS HD2  1 24 CYS HB3 3.500 . 3.850 2.982 2.432 3.630     .  0 0 "[    .    1    .    2]" 1 
       140 1 13 LYS HD2  1 26 CYS HA  5.080 . 5.590 4.952 4.019 5.605 0.015 12 0 "[    .    1    .    2]" 1 
       141 1 13 LYS HD3  1 24 CYS HB3 4.380 . 4.820 4.586 3.935 4.874 0.054 17 0 "[    .    1    .    2]" 1 
       142 1 13 LYS QE   1 13 LYS HG3 3.700 . 4.070 2.471 2.345 2.956     .  0 0 "[    .    1    .    2]" 1 
       143 1 13 LYS QE   1 14 ALA H   5.340 . 5.870 5.436 5.102 5.713     .  0 0 "[    .    1    .    2]" 1 
       144 1 13 LYS HG2  1 25 GLU H   4.650 . 5.120 4.671 4.405 5.026     .  0 0 "[    .    1    .    2]" 1 
       145 1 13 LYS HG2  1 26 CYS HA  3.600 . 3.960 2.635 2.185 3.332     .  0 0 "[    .    1    .    2]" 1 
       146 1 13 LYS HG2  1 27 ALA H   4.490 . 4.940 3.870 3.337 4.350     .  0 0 "[    .    1    .    2]" 1 
       147 1 13 LYS HG3  1 24 CYS HB3 5.500 . 6.050 5.015 4.400 6.095 0.045 10 0 "[    .    1    .    2]" 1 
       148 1 13 LYS HG3  1 25 GLU H   5.500 . 6.050 6.087 5.959 6.186 0.136 12 0 "[    .    1    .    2]" 1 
       149 1 13 LYS HG3  1 26 CYS HA  4.040 . 4.440 3.635 3.068 4.343     .  0 0 "[    .    1    .    2]" 1 
       150 1 13 LYS HG3  1 27 ALA H   4.940 . 5.430 4.437 3.995 4.789     .  0 0 "[    .    1    .    2]" 1 
       151 1 14 ALA H    1 14 ALA MB  3.230 . 3.550 2.473 2.383 2.680     .  0 0 "[    .    1    .    2]" 1 
       152 1 14 ALA H    1 26 CYS HA  5.500 . 6.050 4.266 3.770 5.087     .  0 0 "[    .    1    .    2]" 1 
       153 1 14 ALA H    1 27 ALA MB  4.050 . 4.460 2.673 1.984 3.973     .  0 0 "[    .    1    .    2]" 1 
       154 1 14 ALA HA   1 15 CYS H   2.910 . 3.200 2.262 2.192 2.367     .  0 0 "[    .    1    .    2]" 1 
       155 1 14 ALA HA   1 15 CYS QB  5.340 . 5.870 4.303 4.062 4.558     .  0 0 "[    .    1    .    2]" 1 
       156 1 14 ALA MB   1 15 CYS H   3.340 . 3.670 2.863 2.553 3.027     .  0 0 "[    .    1    .    2]" 1 
       157 1 14 ALA MB   1 27 ALA H   5.410 . 5.950 4.420 3.989 4.945     .  0 0 "[    .    1    .    2]" 1 
       158 1 14 ALA MB   1 27 ALA MB  3.180 . 3.500 2.243 1.948 3.459     .  0 0 "[    .    1    .    2]" 1 
       159 1 15 CYS H    1 15 CYS HB2 3.790 . 4.170 3.539 2.588 3.828     .  0 0 "[    .    1    .    2]" 1 
       160 1 15 CYS H    1 15 CYS QB  3.150 . 3.470 2.760 2.414 2.924     .  0 0 "[    .    1    .    2]" 1 
       161 1 15 CYS H    1 15 CYS HB3 3.790 . 4.170 2.934 2.587 3.704     .  0 0 "[    .    1    .    2]" 1 
       162 1 15 CYS HA   1 16 ARG H   3.010 . 3.310 2.162 2.108 2.246     .  0 0 "[    .    1    .    2]" 1 
       163 1 15 CYS HA   1 16 ARG QB  4.880 . 5.370 4.129 3.757 4.399     .  0 0 "[    .    1    .    2]" 1 
       164 1 15 CYS QB   1 16 ARG H   4.230 . 4.650 3.178 2.695 3.614     .  0 0 "[    .    1    .    2]" 1 
       165 1 15 CYS HB2  1 16 ARG H   4.850 . 5.330 3.388 2.746 4.172     .  0 0 "[    .    1    .    2]" 1 
       166 1 15 CYS HB3  1 16 ARG H   4.850 . 5.330 4.090 3.318 4.348     .  0 0 "[    .    1    .    2]" 1 
       167 1 16 ARG H    1 16 ARG HB2 3.970 . 4.370 3.156 2.484 3.873     .  0 0 "[    .    1    .    2]" 1 
       168 1 16 ARG H    1 16 ARG HB3 3.970 . 4.370 3.037 2.407 3.809     .  0 0 "[    .    1    .    2]" 1 
       169 1 16 ARG H    1 16 ARG HG2 5.500 . 6.050 3.972 1.936 4.917     .  0 0 "[    .    1    .    2]" 1 
       170 1 16 ARG H    1 16 ARG QG  4.740 . 5.210 3.552 1.926 4.190     .  0 0 "[    .    1    .    2]" 1 
       171 1 16 ARG H    1 16 ARG HG3 5.500 . 6.050 4.241 3.228 4.780     .  0 0 "[    .    1    .    2]" 1 
       172 1 16 ARG H    1 22 PRO HA  5.360 . 5.900 4.124 3.521 4.671     .  0 0 "[    .    1    .    2]" 1 
       173 1 16 ARG H    1 23 ARG H   3.540 . 3.890 3.017 2.516 3.811     .  0 0 "[    .    1    .    2]" 1 
       174 1 16 ARG H    1 24 CYS H   5.500 . 6.050 5.001 4.693 5.227     .  0 0 "[    .    1    .    2]" 1 
       175 1 16 ARG HA   1 16 ARG QG  3.710 . 4.080 2.776 2.366 3.363     .  0 0 "[    .    1    .    2]" 1 
       176 1 16 ARG HA   1 17 MET H   2.860 . 3.150 2.319 2.182 2.451     .  0 0 "[    .    1    .    2]" 1 
       177 1 16 ARG QB   1 16 ARG QD  3.310 . 3.640 2.373 2.144 2.780     .  0 0 "[    .    1    .    2]" 1 
       178 1 16 ARG QB   1 17 MET H   3.590 . 3.950 3.168 2.388 3.839     .  0 0 "[    .    1    .    2]" 1 
       179 1 16 ARG QB   1 18 LEU QD  3.240 . 3.560 2.733 1.986 3.583 0.023 17 0 "[    .    1    .    2]" 1 
       180 1 16 ARG HB2  1 17 MET H   4.090 . 4.500 3.754 2.417 4.278     .  0 0 "[    .    1    .    2]" 1 
       181 1 16 ARG HB3  1 17 MET H   4.090 . 4.500 3.649 2.441 4.342     .  0 0 "[    .    1    .    2]" 1 
       182 1 16 ARG QD   1 18 LEU QD  3.970 . 4.370 3.306 2.083 4.407 0.037  8 0 "[    .    1    .    2]" 1 
       183 1 16 ARG QG   1 17 MET H   3.900 . 4.290 3.039 1.991 4.383 0.093  7 0 "[    .    1    .    2]" 1 
       184 1 16 ARG QG   1 18 LEU QD  3.280 . 3.610 2.667 1.951 3.676 0.066 16 0 "[    .    1    .    2]" 1 
       185 1 16 ARG HG2  1 17 MET H   4.610 . 5.070 3.840 2.083 5.006     .  0 0 "[    .    1    .    2]" 1 
       186 1 16 ARG HG3  1 17 MET H   4.610 . 5.070 3.328 2.127 5.049     .  0 0 "[    .    1    .    2]" 1 
       187 1 17 MET H    1 17 MET HB2 3.220 . 3.540 2.467 2.371 2.546     .  0 0 "[    .    1    .    2]" 1 
       188 1 17 MET H    1 17 MET HB3 3.890 . 4.280 3.627 3.602 3.660     .  0 0 "[    .    1    .    2]" 1 
       189 1 17 MET H    1 17 MET ME  4.330 . 4.760 4.305 3.320 4.814 0.054  7 0 "[    .    1    .    2]" 1 
       190 1 17 MET H    1 17 MET HG2 3.880 . 4.270 2.783 2.286 3.589     .  0 0 "[    .    1    .    2]" 1 
       191 1 17 MET H    1 17 MET QG  3.210 . 3.530 2.447 2.266 2.641     .  0 0 "[    .    1    .    2]" 1 
       192 1 17 MET H    1 17 MET HG3 3.880 . 4.270 3.269 2.400 3.916     .  0 0 "[    .    1    .    2]" 1 
       193 1 17 MET HA   1 17 MET ME  3.340 . 3.670 2.583 1.633 3.704 0.034 17 0 "[    .    1    .    2]" 1 
       194 1 17 MET HA   1 18 LEU H   2.950 . 3.250 2.180 2.128 2.232     .  0 0 "[    .    1    .    2]" 1 
       195 1 17 MET HA   1 23 ARG H   4.620 . 5.080 3.654 2.876 4.269     .  0 0 "[    .    1    .    2]" 1 
       196 1 17 MET HB2  1 17 MET ME  3.880 . 4.270 3.475 3.016 3.800     .  0 0 "[    .    1    .    2]" 1 
       197 1 17 MET HB2  1 18 LEU H   4.950 . 5.440 4.429 4.270 4.510     .  0 0 "[    .    1    .    2]" 1 
       198 1 17 MET HB3  1 18 LEU H   3.950 . 4.350 3.755 3.453 3.879     .  0 0 "[    .    1    .    2]" 1 
       199 1 17 MET ME   1 17 MET HG2 3.740 . 4.110 2.710 2.403 3.415     .  0 0 "[    .    1    .    2]" 1 
       200 1 17 MET ME   1 17 MET QG  3.090 . 3.400 2.428 2.356 2.466     .  0 0 "[    .    1    .    2]" 1 
       201 1 17 MET ME   1 17 MET HG3 3.740 . 4.110 3.184 2.491 3.434     .  0 0 "[    .    1    .    2]" 1 
       202 1 17 MET ME   1 18 LEU H   4.200 . 4.620 3.784 2.912 4.706 0.086  5 0 "[    .    1    .    2]" 1 
       203 1 17 MET ME   1 20 GLY H   4.770 . 5.250 4.047 3.485 4.684     .  0 0 "[    .    1    .    2]" 1 
       204 1 17 MET ME   1 20 GLY QA  3.620 . 3.980 3.205 2.489 4.001 0.021 12 0 "[    .    1    .    2]" 1 
       205 1 17 MET ME   1 21 ARG H   4.100 . 4.510 3.866 3.302 4.558 0.048  7 0 "[    .    1    .    2]" 1 
       206 1 17 MET ME   1 22 PRO HA  3.650 . 4.020 3.247 2.257 4.077 0.057  2 0 "[    .    1    .    2]" 1 
       207 1 17 MET ME   1 22 PRO HB3 3.690 . 4.060 2.955 1.979 4.054     .  0 0 "[    .    1    .    2]" 1 
       208 1 17 MET ME   1 22 PRO HD2 4.450 . 4.890 3.912 3.284 4.478     .  0 0 "[    .    1    .    2]" 1 
       209 1 17 MET ME   1 22 PRO HD3 3.660 . 4.030 2.498 1.970 3.045     .  0 0 "[    .    1    .    2]" 1 
       210 1 18 LEU H    1 18 LEU HB2 3.820 . 4.200 2.560 2.317 2.715     .  0 0 "[    .    1    .    2]" 1 
       211 1 18 LEU H    1 18 LEU QB  3.180 . 3.500 2.517 2.290 2.661     .  0 0 "[    .    1    .    2]" 1 
       212 1 18 LEU H    1 18 LEU HB3 3.820 . 4.200 3.728 3.576 3.826     .  0 0 "[    .    1    .    2]" 1 
       213 1 18 LEU H    1 18 LEU QD  4.450 . 4.890 2.895 2.261 3.617     .  0 0 "[    .    1    .    2]" 1 
       214 1 18 LEU H    1 18 LEU HG  4.620 . 5.080 3.619 2.803 4.465     .  0 0 "[    .    1    .    2]" 1 
       215 1 18 LEU H    1 21 ARG H   4.020 . 4.420 3.584 3.041 4.438 0.018 20 0 "[    .    1    .    2]" 1 
       216 1 18 LEU H    1 23 ARG H   4.780 . 5.260 3.467 2.779 3.962     .  0 0 "[    .    1    .    2]" 1 
       217 1 18 LEU H    1 23 ARG QB  5.340 . 5.870 4.417 3.598 5.263     .  0 0 "[    .    1    .    2]" 1 
       218 1 18 LEU HA   1 18 LEU MD1 3.800 . 4.180 3.136 1.935 3.904     .  0 0 "[    .    1    .    2]" 1 
       219 1 18 LEU HA   1 18 LEU QD  3.210 . 3.530 2.262 1.912 2.950     .  0 0 "[    .    1    .    2]" 1 
       220 1 18 LEU HA   1 18 LEU MD2 3.800 . 4.180 2.759 1.997 3.768     .  0 0 "[    .    1    .    2]" 1 
       221 1 18 LEU HA   1 18 LEU HG  4.120 . 4.530 3.092 2.444 3.741     .  0 0 "[    .    1    .    2]" 1 
       222 1 18 LEU QB   1 18 LEU HG  2.640 . 2.900 2.335 2.165 2.442     .  0 0 "[    .    1    .    2]" 1 
       223 1 18 LEU QB   1 23 ARG QB  4.320 . 4.750 3.561 2.615 4.424     .  0 0 "[    .    1    .    2]" 1 
       224 1 18 LEU QD   1 23 ARG QB  3.650 . 4.020 2.574 1.720 4.042 0.022 20 0 "[    .    1    .    2]" 1 
       225 1 19 GLY QA   1 21 ARG H   4.460 . 4.910 3.573 3.350 3.837     .  0 0 "[    .    1    .    2]" 1 
       226 1 20 GLY H    1 21 ARG H   3.290 . 3.620 2.700 1.822 3.444     .  0 0 "[    .    1    .    2]" 1 
       227 1 21 ARG H    1 21 ARG QB  3.080 . 3.390 2.598 2.333 3.037     .  0 0 "[    .    1    .    2]" 1 
       228 1 21 ARG H    1 21 ARG HD2 5.500 . 6.050 4.535 2.443 5.423     .  0 0 "[    .    1    .    2]" 1 
       229 1 21 ARG H    1 21 ARG HD3 5.500 . 6.050 4.744 2.949 5.388     .  0 0 "[    .    1    .    2]" 1 
       230 1 21 ARG H    1 21 ARG HG2 4.770 . 5.250 3.530 1.895 4.421     .  0 0 "[    .    1    .    2]" 1 
       231 1 21 ARG H    1 21 ARG QG  4.110 . 4.520 2.735 1.866 3.756     .  0 0 "[    .    1    .    2]" 1 
       232 1 21 ARG H    1 21 ARG HG3 4.770 . 5.250 3.063 2.439 4.222     .  0 0 "[    .    1    .    2]" 1 
       233 1 21 ARG HA   1 21 ARG QG  3.640 . 4.000 2.630 2.301 3.363     .  0 0 "[    .    1    .    2]" 1 
       234 1 21 ARG HA   1 22 PRO HD2 3.050 . 3.360 2.360 2.023 2.901     .  0 0 "[    .    1    .    2]" 1 
       235 1 21 ARG HA   1 22 PRO HD3 3.020 . 3.320 2.187 1.739 2.519     .  0 0 "[    .    1    .    2]" 1 
       236 1 21 ARG HA   1 22 PRO HG2 4.700 . 5.170 4.407 4.232 4.555     .  0 0 "[    .    1    .    2]" 1 
       237 1 21 ARG HA   1 22 PRO QG  4.110 . 4.520 3.874 3.585 3.969     .  0 0 "[    .    1    .    2]" 1 
       238 1 21 ARG HA   1 22 PRO HG3 4.700 . 5.170 4.314 3.799 4.503     .  0 0 "[    .    1    .    2]" 1 
       239 1 21 ARG QB   1 22 PRO HD2 3.190 . 3.510 2.861 2.396 3.457     .  0 0 "[    .    1    .    2]" 1 
       240 1 21 ARG QB   1 22 PRO HD3 4.900 . 5.390 3.776 3.221 4.335     .  0 0 "[    .    1    .    2]" 1 
       241 1 21 ARG QG   1 22 PRO HD2 4.510 . 4.960 3.863 3.202 4.715     .  0 0 "[    .    1    .    2]" 1 
       242 1 21 ARG HG2  1 22 PRO HD2 5.320 . 5.850 4.295 3.266 5.783     .  0 0 "[    .    1    .    2]" 1 
       243 1 21 ARG HG3  1 22 PRO HD2 5.320 . 5.850 4.767 3.470 5.666     .  0 0 "[    .    1    .    2]" 1 
       244 1 22 PRO HA   1 23 ARG H   2.820 . 3.100 2.201 2.143 2.266     .  0 0 "[    .    1    .    2]" 1 
       245 1 22 PRO HB2  1 23 ARG H   4.160 . 4.580 3.812 3.226 4.140     .  0 0 "[    .    1    .    2]" 1 
       246 1 22 PRO HB3  1 23 ARG H   4.410 . 4.850 4.164 3.435 4.433     .  0 0 "[    .    1    .    2]" 1 
       247 1 23 ARG H    1 23 ARG HB2 3.920 . 4.310 2.805 2.408 3.860     .  0 0 "[    .    1    .    2]" 1 
       248 1 23 ARG H    1 23 ARG QB  3.350 . 3.690 2.590 2.374 2.974     .  0 0 "[    .    1    .    2]" 1 
       249 1 23 ARG H    1 23 ARG HB3 3.920 . 4.310 3.566 2.750 3.796     .  0 0 "[    .    1    .    2]" 1 
       250 1 23 ARG H    1 23 ARG HD2 5.500 . 6.050 4.811 3.754 5.715     .  0 0 "[    .    1    .    2]" 1 
       251 1 23 ARG H    1 23 ARG HD3 5.500 . 6.050 4.635 3.672 5.310     .  0 0 "[    .    1    .    2]" 1 
       252 1 23 ARG H    1 23 ARG QG  3.610 . 3.970 2.724 2.008 3.355     .  0 0 "[    .    1    .    2]" 1 
       253 1 23 ARG HA   1 23 ARG QG  3.690 . 4.060 2.791 2.261 3.354     .  0 0 "[    .    1    .    2]" 1 
       254 1 23 ARG HA   1 24 CYS H   2.930 . 3.220 2.260 2.164 2.374     .  0 0 "[    .    1    .    2]" 1 
       255 1 23 ARG QB   1 23 ARG QD  3.320 . 3.650 2.340 2.116 2.866     .  0 0 "[    .    1    .    2]" 1 
       256 1 23 ARG QB   1 24 CYS H   3.900 . 4.290 2.902 2.586 3.314     .  0 0 "[    .    1    .    2]" 1 
       257 1 23 ARG QB   1 24 CYS HA  5.340 . 5.870 4.291 3.959 4.654     .  0 0 "[    .    1    .    2]" 1 
       258 1 23 ARG HB2  1 24 CYS H   4.440 . 4.880 3.796 2.650 4.350     .  0 0 "[    .    1    .    2]" 1 
       259 1 23 ARG HB3  1 24 CYS H   4.440 . 4.880 3.218 2.633 4.029     .  0 0 "[    .    1    .    2]" 1 
       260 1 23 ARG QG   1 24 CYS H   4.780 . 5.260 4.137 3.508 4.742     .  0 0 "[    .    1    .    2]" 1 
       261 1 23 ARG HG2  1 24 CYS H   5.500 . 6.050 4.628 3.800 5.226     .  0 0 "[    .    1    .    2]" 1 
       262 1 23 ARG HG3  1 24 CYS H   5.500 . 6.050 4.852 3.616 5.434     .  0 0 "[    .    1    .    2]" 1 
       263 1 24 CYS H    1 24 CYS HB2 3.380 . 3.720 2.548 2.368 2.859     .  0 0 "[    .    1    .    2]" 1 
       264 1 24 CYS H    1 24 CYS HB3 3.980 . 4.380 3.514 2.699 3.807     .  0 0 "[    .    1    .    2]" 1 
       265 1 24 CYS HA   1 25 GLU H   3.000 . 3.300 2.162 2.108 2.214     .  0 0 "[    .    1    .    2]" 1 
       266 1 24 CYS HA   1 25 GLU HG2 5.500 . 6.050 4.407 3.501 5.432     .  0 0 "[    .    1    .    2]" 1 
       267 1 24 CYS HA   1 25 GLU HG3 5.500 . 6.050 4.732 3.776 5.811     .  0 0 "[    .    1    .    2]" 1 
       268 1 24 CYS HB2  1 25 GLU H   4.860 . 5.350 4.262 4.033 4.408     .  0 0 "[    .    1    .    2]" 1 
       269 1 24 CYS HB3  1 25 GLU H   4.490 . 4.940 3.386 2.900 4.154     .  0 0 "[    .    1    .    2]" 1 
       270 1 25 GLU H    1 25 GLU HB2 4.200 . 4.620 3.067 2.513 3.916     .  0 0 "[    .    1    .    2]" 1 
       271 1 25 GLU H    1 25 GLU QB  3.510 . 3.860 2.779 2.474 3.185     .  0 0 "[    .    1    .    2]" 1 
       272 1 25 GLU H    1 25 GLU HB3 4.200 . 4.620 3.604 3.071 3.863     .  0 0 "[    .    1    .    2]" 1 
       273 1 25 GLU H    1 25 GLU HG2 4.940 . 5.430 3.198 2.127 4.193     .  0 0 "[    .    1    .    2]" 1 
       274 1 25 GLU H    1 25 GLU QG  4.230 . 4.650 2.735 2.080 3.491     .  0 0 "[    .    1    .    2]" 1 
       275 1 25 GLU H    1 25 GLU HG3 4.940 . 5.430 3.393 2.809 4.561     .  0 0 "[    .    1    .    2]" 1 
       276 1 25 GLU HA   1 25 GLU QG  3.600 . 3.960 2.883 2.383 3.526     .  0 0 "[    .    1    .    2]" 1 
       277 1 25 GLU HA   1 26 CYS H   3.290 . 3.620 2.369 2.233 2.458     .  0 0 "[    .    1    .    2]" 1 
       278 1 25 GLU HA   1 26 CYS QB  4.580 . 5.040 4.332 4.181 4.628     .  0 0 "[    .    1    .    2]" 1 
       279 1 25 GLU QB   1 26 CYS QB  5.080 . 5.590 4.119 3.611 4.842     .  0 0 "[    .    1    .    2]" 1 
       280 1 25 GLU HB2  1 26 CYS H   4.850 . 5.330 3.334 2.412 4.173     .  0 0 "[    .    1    .    2]" 1 
       281 1 25 GLU HB3  1 26 CYS H   4.850 . 5.330 3.021 2.411 3.981     .  0 0 "[    .    1    .    2]" 1 
       282 1 26 CYS HA   1 27 ALA H   3.190 . 3.510 2.174 2.131 2.286     .  0 0 "[    .    1    .    2]" 1 
       283 1 26 CYS QB   1 27 ALA H   4.230 . 4.650 3.741 2.887 4.023     .  0 0 "[    .    1    .    2]" 1 
       284 1 26 CYS QB   1 58 CYS QB  3.530 . 3.880 2.858 1.654 3.905 0.025  9 0 "[    .    1    .    2]" 1 
       285 1 26 CYS HB2  1 27 ALA H   4.870 . 5.360 4.209 2.955 4.617     .  0 0 "[    .    1    .    2]" 1 
       286 1 26 CYS HB3  1 27 ALA H   4.870 . 5.360 4.272 3.706 4.465     .  0 0 "[    .    1    .    2]" 1 
       287 1 27 ALA MB   1 28 PRO HA  4.730 . 5.200 4.523 4.421 4.687     .  0 0 "[    .    1    .    2]" 1 
       288 1 28 PRO HA   1 29 ASP H   3.450 . 3.790 2.523 2.149 3.435     .  0 0 "[    .    1    .    2]" 1 
       289 1 28 PRO QB   1 55 ALA HA  4.650 . 5.120 3.432 1.770 5.118     .  0 0 "[    .    1    .    2]" 1 
       290 1 28 PRO HB2  1 29 ASP H   4.450 . 4.890 3.840 1.937 4.418     .  0 0 "[    .    1    .    2]" 1 
       291 1 28 PRO HB3  1 29 ASP H   4.450 . 4.890 4.210 3.345 4.731     .  0 0 "[    .    1    .    2]" 1 
       292 1 28 PRO QD   1 55 ALA MB  3.970 . 4.370 3.340 2.227 4.092     .  0 0 "[    .    1    .    2]" 1 
       293 1 28 PRO HD2  1 55 ALA MB  4.650 . 5.120 4.300 3.107 5.166 0.046 13 0 "[    .    1    .    2]" 1 
       294 1 28 PRO HD3  1 55 ALA MB  4.650 . 5.120 3.511 2.253 4.290     .  0 0 "[    .    1    .    2]" 1 
       295 1 28 PRO HG2  1 55 ALA HA  5.440 . 5.980 4.991 3.686 5.999 0.019 10 0 "[    .    1    .    2]" 1 
       296 1 28 PRO HG2  1 55 ALA MB  4.070 . 4.480 3.518 2.427 4.487 0.007  2 0 "[    .    1    .    2]" 1 
       297 1 28 PRO HG3  1 55 ALA H   4.580 . 5.040 4.092 2.878 5.046 0.006 13 0 "[    .    1    .    2]" 1 
       298 1 28 PRO HG3  1 55 ALA HA  4.420 . 4.860 3.555 2.358 4.477     .  0 0 "[    .    1    .    2]" 1 
       299 1 28 PRO HG3  1 55 ALA MB  3.670 . 4.040 2.441 1.812 3.511     .  0 0 "[    .    1    .    2]" 1 
       300 1 29 ASP H    1 29 ASP HB2 3.840 . 4.220 2.918 2.422 3.627     .  0 0 "[    .    1    .    2]" 1 
       301 1 29 ASP H    1 29 ASP HB3 3.840 . 4.220 3.118 2.355 4.050     .  0 0 "[    .    1    .    2]" 1 
       302 1 30 CYS HA   1 33 LEU QD  3.590 . 3.950 2.205 1.574 3.252     .  0 0 "[    .    1    .    2]" 1 
       303 1 30 CYS QB   1 33 LEU QB  5.140 . 5.650 4.115 1.889 5.751 0.101  8 0 "[    .    1    .    2]" 1 
       304 1 30 CYS QB   1 33 LEU QD  3.930 . 4.320 2.216 1.518 3.035     .  0 0 "[    .    1    .    2]" 1 
       305 1 30 CYS QB   1 51 CYS QB  4.090 . 4.500 2.811 1.852 4.155     .  0 0 "[    .    1    .    2]" 1 
       306 1 30 CYS HB2  1 33 LEU MD1 5.500 . 6.050 3.286 1.527 5.366     .  0 0 "[    .    1    .    2]" 1 
       307 1 30 CYS HB2  1 33 LEU MD2 5.500 . 6.050 4.115 1.760 6.028     .  0 0 "[    .    1    .    2]" 1 
       308 1 30 CYS HB3  1 33 LEU MD1 5.500 . 6.050 2.869 2.024 4.337     .  0 0 "[    .    1    .    2]" 1 
       309 1 30 CYS HB3  1 33 LEU MD2 5.500 . 6.050 3.870 2.502 5.418     .  0 0 "[    .    1    .    2]" 1 
       310 1 31 SER H    1 31 SER HB2 4.180 . 4.600 2.893 2.478 3.862     .  0 0 "[    .    1    .    2]" 1 
       311 1 31 SER H    1 31 SER QB  3.580 . 3.940 2.519 2.259 3.134     .  0 0 "[    .    1    .    2]" 1 
       312 1 31 SER H    1 31 SER HB3 4.180 . 4.600 3.013 2.494 3.883     .  0 0 "[    .    1    .    2]" 1 
       313 1 31 SER H    1 32 GLY H   4.420 . 4.860 3.586 2.157 4.552     .  0 0 "[    .    1    .    2]" 1 
       314 1 31 SER H    1 32 GLY QA  4.970 . 5.470 4.758 3.974 5.349     .  0 0 "[    .    1    .    2]" 1 
       315 1 31 SER H    1 33 LEU QD  4.850 . 5.330 3.672 2.005 5.076     .  0 0 "[    .    1    .    2]" 1 
       316 1 31 SER HA   1 32 GLY QA  4.640 . 5.100 4.116 3.842 4.418     .  0 0 "[    .    1    .    2]" 1 
       317 1 31 SER HA   1 33 LEU H   4.910 . 5.400 4.130 3.637 5.410 0.010 15 0 "[    .    1    .    2]" 1 
       318 1 32 GLY H    1 33 LEU H   4.550 . 5.010 2.900 1.965 4.066     .  0 0 "[    .    1    .    2]" 1 
       319 1 33 LEU H    1 33 LEU QB  3.370 . 3.710 2.810 2.368 3.275     .  0 0 "[    .    1    .    2]" 1 
       320 1 33 LEU H    1 33 LEU MD1 4.830 . 5.310 3.501 2.782 4.211     .  0 0 "[    .    1    .    2]" 1 
       321 1 33 LEU H    1 33 LEU QD  4.070 . 4.480 2.974 1.566 3.624     .  0 0 "[    .    1    .    2]" 1 
       322 1 33 LEU H    1 33 LEU MD2 4.830 . 5.310 3.504 1.567 4.019     .  0 0 "[    .    1    .    2]" 1 
       323 1 33 LEU H    1 33 LEU HG  3.660 . 4.030 2.560 1.900 3.689     .  0 0 "[    .    1    .    2]" 1 
       324 1 33 LEU HA   1 33 LEU QD  3.580 . 3.940 2.991 1.922 3.432     .  0 0 "[    .    1    .    2]" 1 
       325 1 33 LEU HA   1 34 PRO HD2 3.360 . 3.700 2.682 2.112 3.157     .  0 0 "[    .    1    .    2]" 1 
       326 1 33 LEU HA   1 34 PRO QD  2.940 . 3.230 2.028 1.817 2.169     .  0 0 "[    .    1    .    2]" 1 
       327 1 33 LEU HA   1 34 PRO HD3 3.360 . 3.700 2.155 1.840 2.452     .  0 0 "[    .    1    .    2]" 1 
       328 1 33 LEU QB   1 34 PRO QD  3.410 . 3.750 2.325 1.933 3.109     .  0 0 "[    .    1    .    2]" 1 
       329 1 33 LEU HB2  1 34 PRO HD2 4.760 . 5.240 2.851 1.983 4.539     .  0 0 "[    .    1    .    2]" 1 
       330 1 33 LEU HB2  1 34 PRO HD3 4.760 . 5.240 3.708 2.788 5.097     .  0 0 "[    .    1    .    2]" 1 
       331 1 33 LEU HB3  1 34 PRO HD2 4.760 . 5.240 3.374 2.227 4.176     .  0 0 "[    .    1    .    2]" 1 
       332 1 33 LEU HB3  1 34 PRO HD3 4.760 . 5.240 3.930 3.186 4.369     .  0 0 "[    .    1    .    2]" 1 
       333 1 33 LEU QD   1 34 PRO QD  3.740 . 4.110 3.108 2.288 3.779     .  0 0 "[    .    1    .    2]" 1 
       334 1 33 LEU QD   1 34 PRO QG  5.190 . 5.710 4.320 3.692 5.160     .  0 0 "[    .    1    .    2]" 1 
       335 1 33 LEU QD   1 50 GLU QB  3.610 . 3.970 2.195 1.621 3.030     .  0 0 "[    .    1    .    2]" 1 
       336 1 33 LEU QD   1 50 GLU QG  3.560 . 3.920 2.546 1.775 3.623     .  0 0 "[    .    1    .    2]" 1 
       337 1 33 LEU QD   1 51 CYS H   4.030 . 4.430 3.039 2.302 3.889     .  0 0 "[    .    1    .    2]" 1 
       338 1 33 LEU QD   1 51 CYS HA  4.190 . 4.610 3.015 2.212 3.890     .  0 0 "[    .    1    .    2]" 1 
       339 1 33 LEU QD   1 51 CYS QB  4.230 . 4.650 2.819 1.675 4.297     .  0 0 "[    .    1    .    2]" 1 
       340 1 33 LEU QD   1 54 ARG QD  3.830 . 4.210 3.003 2.121 4.321 0.111 15 0 "[    .    1    .    2]" 1 
       341 1 33 LEU MD1  1 34 PRO HD2 5.500 . 6.050 3.809 3.249 4.854     .  0 0 "[    .    1    .    2]" 1 
       342 1 33 LEU MD1  1 34 PRO HD3 5.500 . 6.050 4.689 4.184 5.660     .  0 0 "[    .    1    .    2]" 1 
       343 1 33 LEU MD1  1 50 GLU HB2 5.390 . 5.930 3.880 2.916 4.784     .  0 0 "[    .    1    .    2]" 1 
       344 1 33 LEU MD1  1 50 GLU HB3 5.390 . 5.930 2.528 1.682 3.561     .  0 0 "[    .    1    .    2]" 1 
       345 1 33 LEU MD1  1 50 GLU HG2 5.500 . 6.050 3.579 1.866 5.157     .  0 0 "[    .    1    .    2]" 1 
       346 1 33 LEU MD1  1 50 GLU HG3 5.500 . 6.050 4.270 2.436 6.008     .  0 0 "[    .    1    .    2]" 1 
       347 1 33 LEU MD1  1 51 CYS H   4.910 . 5.400 3.164 2.418 3.979     .  0 0 "[    .    1    .    2]" 1 
       348 1 33 LEU MD2  1 34 PRO HD2 5.500 . 6.050 4.008 2.384 5.232     .  0 0 "[    .    1    .    2]" 1 
       349 1 33 LEU MD2  1 34 PRO HD3 5.500 . 6.050 4.638 2.926 5.571     .  0 0 "[    .    1    .    2]" 1 
       350 1 33 LEU MD2  1 50 GLU HB2 5.390 . 5.930 4.186 3.232 5.863     .  0 0 "[    .    1    .    2]" 1 
       351 1 33 LEU MD2  1 50 GLU HB3 5.390 . 5.930 3.056 1.628 4.552     .  0 0 "[    .    1    .    2]" 1 
       352 1 33 LEU MD2  1 50 GLU HG2 5.500 . 6.050 3.380 2.147 5.017     .  0 0 "[    .    1    .    2]" 1 
       353 1 33 LEU MD2  1 50 GLU HG3 5.500 . 6.050 3.951 1.834 6.094 0.044 15 0 "[    .    1    .    2]" 1 
       354 1 33 LEU MD2  1 51 CYS H   4.910 . 5.400 4.278 2.439 5.482 0.082  2 0 "[    .    1    .    2]" 1 
       355 1 34 PRO HA   1 35 ALA H   3.160 . 3.480 2.183 2.150 2.264     .  0 0 "[    .    1    .    2]" 1 
       356 1 34 PRO HA   1 35 ALA MB  4.680 . 5.150 4.054 4.006 4.136     .  0 0 "[    .    1    .    2]" 1 
       357 1 34 PRO QB   1 35 ALA H   4.000 . 4.400 3.415 2.907 3.571     .  0 0 "[    .    1    .    2]" 1 
       358 1 34 PRO QB   1 35 ALA MB  5.340 . 5.870 4.701 4.271 4.828     .  0 0 "[    .    1    .    2]" 1 
       359 1 34 PRO QB   1 37 LEU QB  3.660 . 4.030 2.581 1.760 3.650     .  0 0 "[    .    1    .    2]" 1 
       360 1 34 PRO QB   1 37 LEU QD  4.020 . 4.420 3.528 2.264 4.459 0.039  3 0 "[    .    1    .    2]" 1 
       361 1 34 PRO HB2  1 37 LEU HB2 5.140 . 5.650 3.223 1.781 4.711     .  0 0 "[    .    1    .    2]" 1 
       362 1 34 PRO HB2  1 37 LEU HB3 5.140 . 5.650 3.383 1.963 4.506     .  0 0 "[    .    1    .    2]" 1 
       363 1 34 PRO HB3  1 37 LEU HB2 5.140 . 5.650 4.126 2.832 5.670 0.020  3 0 "[    .    1    .    2]" 1 
       364 1 34 PRO HB3  1 37 LEU HB3 5.140 . 5.650 4.436 1.803 5.700 0.050 15 0 "[    .    1    .    2]" 1 
       365 1 34 PRO QG   1 37 LEU QB  4.080 . 4.490 2.893 1.960 4.544 0.054 13 0 "[    .    1    .    2]" 1 
       366 1 34 PRO QG   1 37 LEU QD  4.460 . 4.910 3.136 2.233 4.620     .  0 0 "[    .    1    .    2]" 1 
       367 1 35 ALA H    1 35 ALA MB  3.260 . 3.590 2.301 2.228 2.468     .  0 0 "[    .    1    .    2]" 1 
       368 1 35 ALA HA   1 36 ARG H   3.350 . 3.690 2.848 2.141 3.487     .  0 0 "[    .    1    .    2]" 1 
       369 1 35 ALA HA   1 36 ARG QG  4.580 . 5.040 4.558 3.835 5.104 0.064 16 0 "[    .    1    .    2]" 1 
       370 1 35 ALA HA   1 37 LEU H   4.500 . 4.950 3.771 3.310 4.988 0.038  7 0 "[    .    1    .    2]" 1 
       371 1 35 ALA HA   1 49 ASP HB2 4.750 . 5.220 2.939 2.134 4.737     .  0 0 "[    .    1    .    2]" 1 
       372 1 35 ALA HA   1 49 ASP QB  4.160 . 4.580 2.768 2.046 4.389     .  0 0 "[    .    1    .    2]" 1 
       373 1 35 ALA HA   1 49 ASP HB3 4.750 . 5.220 3.525 2.453 5.186     .  0 0 "[    .    1    .    2]" 1 
       374 1 35 ALA MB   1 36 ARG H   4.100 . 4.510 3.268 2.403 3.714     .  0 0 "[    .    1    .    2]" 1 
       375 1 35 ALA MB   1 36 ARG QB  5.340 . 5.870 4.272 3.587 4.863     .  0 0 "[    .    1    .    2]" 1 
       376 1 36 ARG H    1 36 ARG QG  4.330 . 4.760 2.771 2.067 3.417     .  0 0 "[    .    1    .    2]" 1 
       377 1 36 ARG H    1 37 LEU H   4.120 . 4.530 2.263 1.657 3.017     .  0 0 "[    .    1    .    2]" 1 
       378 1 36 ARG H    1 49 ASP QB  4.410 . 4.850 3.452 2.412 4.773     .  0 0 "[    .    1    .    2]" 1 
       379 1 36 ARG HA   1 36 ARG HD2 5.500 . 6.050 4.368 2.118 4.889     .  0 0 "[    .    1    .    2]" 1 
       380 1 36 ARG HA   1 36 ARG QD  4.680 . 5.150 3.838 1.998 4.299     .  0 0 "[    .    1    .    2]" 1 
       381 1 36 ARG HA   1 36 ARG HD3 5.500 . 6.050 4.376 2.034 4.875     .  0 0 "[    .    1    .    2]" 1 
       382 1 36 ARG HA   1 36 ARG HG2 4.200 . 4.620 2.928 2.405 3.776     .  0 0 "[    .    1    .    2]" 1 
       383 1 36 ARG HA   1 36 ARG QG  3.530 . 3.880 2.699 2.338 3.354     .  0 0 "[    .    1    .    2]" 1 
       384 1 36 ARG HA   1 36 ARG HG3 4.200 . 4.620 3.324 2.415 3.844     .  0 0 "[    .    1    .    2]" 1 
       385 1 36 ARG HA   1 49 ASP QB  4.470 . 4.920 3.519 2.411 4.833     .  0 0 "[    .    1    .    2]" 1 
       386 1 37 LEU H    1 37 LEU HB2 3.640 . 4.000 2.729 2.258 3.268     .  0 0 "[    .    1    .    2]" 1 
       387 1 37 LEU H    1 37 LEU HB3 3.640 . 4.000 2.701 2.405 3.753     .  0 0 "[    .    1    .    2]" 1 
       388 1 37 LEU H    1 37 LEU QD  4.650 . 5.120 3.782 3.462 4.011     .  0 0 "[    .    1    .    2]" 1 
       389 1 37 LEU H    1 37 LEU HG  4.900 . 5.390 4.504 2.979 4.921     .  0 0 "[    .    1    .    2]" 1 
       390 1 37 LEU H    1 38 GLN H   4.740 . 5.210 4.279 4.080 4.490     .  0 0 "[    .    1    .    2]" 1 
       391 1 37 LEU H    1 49 ASP HA  4.700 . 5.170 4.044 3.184 5.176 0.006  7 0 "[    .    1    .    2]" 1 
       392 1 37 LEU H    1 49 ASP HB2 4.280 . 4.710 3.545 2.684 4.332     .  0 0 "[    .    1    .    2]" 1 
       393 1 37 LEU H    1 49 ASP QB  3.620 . 3.980 3.077 2.063 3.834     .  0 0 "[    .    1    .    2]" 1 
       394 1 37 LEU H    1 49 ASP HB3 4.280 . 4.710 3.484 2.125 4.764 0.054 13 0 "[    .    1    .    2]" 1 
       395 1 37 LEU H    1 50 GLU H   4.870 . 5.360 4.526 3.649 5.367 0.007  7 0 "[    .    1    .    2]" 1 
       396 1 37 LEU HA   1 37 LEU MD1 3.970 . 4.370 2.752 2.068 3.874     .  0 0 "[    .    1    .    2]" 1 
       397 1 37 LEU HA   1 37 LEU MD2 3.970 . 4.370 2.878 1.894 3.917     .  0 0 "[    .    1    .    2]" 1 
       398 1 37 LEU HA   1 37 LEU HG  3.890 . 4.280 3.293 2.471 3.733     .  0 0 "[    .    1    .    2]" 1 
       399 1 37 LEU HA   1 38 GLN H   2.970 . 3.270 2.175 2.139 2.239     .  0 0 "[    .    1    .    2]" 1 
       400 1 37 LEU QB   1 38 GLN H   4.250 . 4.680 3.864 3.477 3.999     .  0 0 "[    .    1    .    2]" 1 
       401 1 37 LEU QB   1 69 ARG QB  5.180 . 5.700 4.468 2.476 5.455     .  0 0 "[    .    1    .    2]" 1 
       402 1 37 LEU QD   1 69 ARG QB  3.630 . 3.990 2.265 1.798 2.767     .  0 0 "[    .    1    .    2]" 1 
       403 1 37 LEU QD   1 69 ARG QG  4.330 . 4.760 3.178 1.935 4.061     .  0 0 "[    .    1    .    2]" 1 
       404 1 37 LEU QD   1 70 GLY H   4.120 . 4.530 3.288 2.298 4.545 0.015  6 0 "[    .    1    .    2]" 1 
       405 1 37 LEU MD1  1 38 GLN H   4.850 . 5.330 3.192 2.022 5.327     .  0 0 "[    .    1    .    2]" 1 
       406 1 37 LEU MD2  1 38 GLN H   4.850 . 5.330 3.700 2.369 5.117     .  0 0 "[    .    1    .    2]" 1 
       407 1 38 GLN H    1 38 GLN QB  3.320 . 3.650 2.465 2.375 2.559     .  0 0 "[    .    1    .    2]" 1 
       408 1 38 GLN H    1 38 GLN HG2 4.100 . 4.510 3.372 3.121 3.596     .  0 0 "[    .    1    .    2]" 1 
       409 1 38 GLN H    1 38 GLN QG  3.330 . 3.660 2.183 1.960 2.406     .  0 0 "[    .    1    .    2]" 1 
       410 1 38 GLN H    1 38 GLN HG3 4.100 . 4.510 2.212 1.979 2.446     .  0 0 "[    .    1    .    2]" 1 
       411 1 38 GLN H    1 39 VAL H   4.880 . 5.370 4.644 4.608 4.671     .  0 0 "[    .    1    .    2]" 1 
       412 1 38 GLN HA   1 38 GLN HG2 4.140 . 4.550 2.550 2.451 2.644     .  0 0 "[    .    1    .    2]" 1 
       413 1 38 GLN HA   1 38 GLN QG  3.580 . 3.940 2.437 2.374 2.513     .  0 0 "[    .    1    .    2]" 1 
       414 1 38 GLN HA   1 38 GLN HG3 4.140 . 4.550 3.106 2.903 3.283     .  0 0 "[    .    1    .    2]" 1 
       415 1 38 GLN HA   1 39 VAL H   3.230 . 3.550 2.283 2.183 2.426     .  0 0 "[    .    1    .    2]" 1 
       416 1 38 GLN HA   1 39 VAL QG  5.360 . 5.900 3.226 3.136 3.433     .  0 0 "[    .    1    .    2]" 1 
       417 1 38 GLN QB   1 39 VAL H   3.570 . 3.930 2.712 2.383 2.977     .  0 0 "[    .    1    .    2]" 1 
       418 1 38 GLN QB   1 46 THR MG  3.210 . 3.530 2.311 2.023 2.943     .  0 0 "[    .    1    .    2]" 1 
       419 1 38 GLN QB   1 71 ARG H   4.110 . 4.520 3.838 2.704 4.463     .  0 0 "[    .    1    .    2]" 1 
       420 1 38 GLN HB2  1 39 VAL H   4.260 . 4.690 3.881 3.633 4.101     .  0 0 "[    .    1    .    2]" 1 
       421 1 38 GLN HB3  1 39 VAL H   4.260 . 4.690 2.770 2.413 3.066     .  0 0 "[    .    1    .    2]" 1 
       422 1 38 GLN QE   1 71 ARG QB  5.180 . 5.700 4.429 2.731 5.764 0.064  1 0 "[    .    1    .    2]" 1 
       423 1 38 GLN QE   1 71 ARG QD  4.330 . 4.760 3.678 1.933 4.803 0.043  7 0 "[    .    1    .    2]" 1 
       424 1 38 GLN HE21 1 46 THR MG  4.590 . 5.050 3.748 1.740 5.056 0.006  9 0 "[    .    1    .    2]" 1 
       425 1 38 GLN HE22 1 46 THR MG  4.590 . 5.050 3.744 2.578 4.775     .  0 0 "[    .    1    .    2]" 1 
       426 1 38 GLN QG   1 46 THR MG  3.890 . 4.280 3.542 3.203 3.927     .  0 0 "[    .    1    .    2]" 1 
       427 1 38 GLN QG   1 48 ARG HA  3.480 . 3.830 2.378 1.636 2.966     .  0 0 "[    .    1    .    2]" 1 
       428 1 38 GLN HG2  1 46 THR MG  4.640 . 5.100 3.707 3.318 4.135     .  0 0 "[    .    1    .    2]" 1 
       429 1 38 GLN HG2  1 48 ARG HA  4.140 . 4.550 2.397 1.640 3.005     .  0 0 "[    .    1    .    2]" 1 
       430 1 38 GLN HG3  1 46 THR MG  4.640 . 5.100 4.506 4.147 4.972     .  0 0 "[    .    1    .    2]" 1 
       431 1 38 GLN HG3  1 48 ARG HA  4.140 . 4.550 4.021 3.323 4.584 0.034 16 0 "[    .    1    .    2]" 1 
       432 1 39 VAL H    1 39 VAL MG1 4.160 . 4.580 2.966 2.390 3.184     .  0 0 "[    .    1    .    2]" 1 
       433 1 39 VAL H    1 39 VAL QG  3.310 . 3.640 2.226 2.104 2.474     .  0 0 "[    .    1    .    2]" 1 
       434 1 39 VAL H    1 39 VAL MG2 4.160 . 4.580 2.440 2.153 4.020     .  0 0 "[    .    1    .    2]" 1 
       435 1 39 VAL H    1 46 THR MG  4.300 . 4.730 3.284 2.545 4.122     .  0 0 "[    .    1    .    2]" 1 
       436 1 39 VAL H    1 47 TYR H   4.150 . 4.570 3.225 2.553 3.587     .  0 0 "[    .    1    .    2]" 1 
       437 1 39 VAL H    1 47 TYR QB  4.690 . 5.160 3.441 3.180 3.764     .  0 0 "[    .    1    .    2]" 1 
       438 1 39 VAL H    1 49 ASP H   5.340 . 5.870 4.177 3.901 4.533     .  0 0 "[    .    1    .    2]" 1 
       439 1 39 VAL HA   1 40 CYS H   3.310 . 3.640 2.306 2.243 2.435     .  0 0 "[    .    1    .    2]" 1 
       440 1 39 VAL HA   1 40 CYS QB  4.770 . 5.250 4.144 3.997 4.501     .  0 0 "[    .    1    .    2]" 1 
       441 1 39 VAL HA   1 70 GLY H   3.410 . 3.750 2.143 1.613 2.879     .  0 0 "[    .    1    .    2]" 1 
       442 1 39 VAL HB   1 40 CYS H   4.050 . 4.460 2.822 2.331 4.089     .  0 0 "[    .    1    .    2]" 1 
       443 1 39 VAL HB   1 50 GLU QG  5.240 . 5.760 4.590 2.981 5.829 0.069 11 0 "[    .    1    .    2]" 1 
       444 1 39 VAL HB   1 68 TYR H   5.500 . 6.050 4.821 4.042 6.097 0.047  1 0 "[    .    1    .    2]" 1 
       445 1 39 VAL HB   1 69 ARG HA  4.380 . 4.820 3.253 2.766 3.732     .  0 0 "[    .    1    .    2]" 1 
       446 1 39 VAL QG   1 47 TYR H   4.080 . 4.490 3.193 2.806 3.473     .  0 0 "[    .    1    .    2]" 1 
       447 1 39 VAL QG   1 47 TYR QB  3.380 . 3.720 2.357 2.143 2.612     .  0 0 "[    .    1    .    2]" 1 
       448 1 39 VAL QG   1 47 TYR QD  4.350 . 4.790 3.062 2.485 3.587     .  0 0 "[    .    1    .    2]" 1 
       449 1 39 VAL QG   1 49 ASP H   4.540 . 4.990 3.488 3.233 3.861     .  0 0 "[    .    1    .    2]" 1 
       450 1 39 VAL QG   1 50 GLU H   3.920 . 4.310 2.795 2.447 3.446     .  0 0 "[    .    1    .    2]" 1 
       451 1 39 VAL QG   1 50 GLU HA  3.110 . 3.420 1.923 1.703 2.198     .  0 0 "[    .    1    .    2]" 1 
       452 1 39 VAL QG   1 50 GLU QB  3.580 . 3.940 2.308 1.873 3.580     .  0 0 "[    .    1    .    2]" 1 
       453 1 39 VAL QG   1 50 GLU QG  4.080 . 4.490 2.891 2.368 4.218     .  0 0 "[    .    1    .    2]" 1 
       454 1 39 VAL QG   1 53 LEU H   4.310 . 4.740 3.453 3.126 3.910     .  0 0 "[    .    1    .    2]" 1 
       455 1 39 VAL QG   1 53 LEU QB  3.770 . 4.150 2.242 1.893 2.602     .  0 0 "[    .    1    .    2]" 1 
       456 1 39 VAL QG   1 53 LEU QD  3.210 . 3.530 2.071 1.857 2.391     .  0 0 "[    .    1    .    2]" 1 
       457 1 39 VAL QG   1 54 ARG H   4.880 . 5.370 4.596 4.145 5.204     .  0 0 "[    .    1    .    2]" 1 
       458 1 39 VAL QG   1 66 VAL QG  3.490 . 3.840 2.461 1.814 2.970     .  0 0 "[    .    1    .    2]" 1 
       459 1 39 VAL QG   1 69 ARG HA  3.490 . 3.840 2.148 1.636 2.788     .  0 0 "[    .    1    .    2]" 1 
       460 1 39 VAL QG   1 69 ARG QD  4.850 . 5.330 3.504 2.265 4.647     .  0 0 "[    .    1    .    2]" 1 
       461 1 39 VAL QG   1 69 ARG QG  3.720 . 4.090 2.256 1.665 3.868     .  0 0 "[    .    1    .    2]" 1 
       462 1 39 VAL QG   1 70 GLY H   4.000 . 4.400 2.970 2.412 4.161     .  0 0 "[    .    1    .    2]" 1 
       463 1 39 VAL MG1  1 40 CYS H   4.150 . 4.570 3.770 3.646 3.855     .  0 0 "[    .    1    .    2]" 1 
       464 1 39 VAL MG1  1 50 GLU H   4.550 . 5.010 2.962 2.563 3.509     .  0 0 "[    .    1    .    2]" 1 
       465 1 39 VAL MG1  1 50 GLU HA  3.640 . 4.000 2.744 1.806 3.524     .  0 0 "[    .    1    .    2]" 1 
       466 1 39 VAL MG2  1 40 CYS H   4.150 . 4.570 3.496 2.322 3.861     .  0 0 "[    .    1    .    2]" 1 
       467 1 39 VAL MG2  1 50 GLU H   4.550 . 5.010 3.524 3.087 5.061 0.051  1 0 "[    .    1    .    2]" 1 
       468 1 39 VAL MG2  1 50 GLU HA  3.640 . 4.000 2.103 1.716 3.614     .  0 0 "[    .    1    .    2]" 1 
       469 1 40 CYS H    1 40 CYS HB2 3.810 . 4.190 2.785 2.401 3.078     .  0 0 "[    .    1    .    2]" 1 
       470 1 40 CYS H    1 40 CYS QB  3.320 . 3.650 2.422 2.369 2.529     .  0 0 "[    .    1    .    2]" 1 
       471 1 40 CYS H    1 40 CYS HB3 3.810 . 4.190 2.835 2.536 3.701     .  0 0 "[    .    1    .    2]" 1 
       472 1 40 CYS H    1 66 VAL QG  4.350 . 4.790 3.386 2.716 4.602     .  0 0 "[    .    1    .    2]" 1 
       473 1 40 CYS H    1 67 MET H   4.830 . 5.310 4.549 4.185 5.348 0.038  9 0 "[    .    1    .    2]" 1 
       474 1 40 CYS H    1 68 TYR H   4.180 . 4.600 3.510 3.187 4.545     .  0 0 "[    .    1    .    2]" 1 
       475 1 40 CYS H    1 68 TYR QD  5.420 . 5.960 4.415 3.989 4.875     .  0 0 "[    .    1    .    2]" 1 
       476 1 40 CYS H    1 68 TYR QE  5.500 . 6.050 4.908 4.476 5.453     .  0 0 "[    .    1    .    2]" 1 
       477 1 40 CYS H    1 69 ARG HA  4.160 . 4.580 3.502 2.739 4.273     .  0 0 "[    .    1    .    2]" 1 
       478 1 40 CYS H    1 70 GLY H   4.260 . 4.690 3.786 2.627 4.709 0.019  1 0 "[    .    1    .    2]" 1 
       479 1 40 CYS HA   1 41 GLY H   3.150 . 3.470 2.158 2.143 2.177     .  0 0 "[    .    1    .    2]" 1 
       480 1 40 CYS HA   1 41 GLY QA  4.510 . 4.960 3.907 3.877 3.932     .  0 0 "[    .    1    .    2]" 1 
       481 1 40 CYS HA   1 47 TYR H   4.390 . 4.830 3.277 2.757 3.785     .  0 0 "[    .    1    .    2]" 1 
       482 1 40 CYS HA   1 47 TYR QD  5.200 . 5.720 3.655 3.115 4.562     .  0 0 "[    .    1    .    2]" 1 
       483 1 40 CYS QB   1 68 TYR H   4.090 . 4.500 3.223 2.491 4.508 0.008  9 0 "[    .    1    .    2]" 1 
       484 1 40 CYS QB   1 68 TYR QD  4.620 . 5.080 3.650 3.282 4.371     .  0 0 "[    .    1    .    2]" 1 
       485 1 40 CYS QB   1 68 TYR QE  3.900 . 4.290 3.207 2.673 3.976     .  0 0 "[    .    1    .    2]" 1 
       486 1 40 CYS QB   1 72 CYS HA  3.700 . 4.070 2.829 2.142 3.696     .  0 0 "[    .    1    .    2]" 1 
       487 1 40 CYS HB2  1 72 CYS HA  4.390 . 4.830 3.003 2.178 4.102     .  0 0 "[    .    1    .    2]" 1 
       488 1 40 CYS HB3  1 72 CYS HA  4.390 . 4.830 3.669 3.030 4.286     .  0 0 "[    .    1    .    2]" 1 
       489 1 41 GLY H    1 45 ALA H   4.870 . 5.360 3.645 2.930 4.801     .  0 0 "[    .    1    .    2]" 1 
       490 1 41 GLY H    1 47 TYR QD  4.360 . 4.800 2.946 2.426 3.802     .  0 0 "[    .    1    .    2]" 1 
       491 1 41 GLY H    1 53 LEU QD  4.370 . 4.810 3.361 3.020 3.764     .  0 0 "[    .    1    .    2]" 1 
       492 1 41 GLY H    1 64 LEU QD  4.580 . 5.040 3.934 3.436 4.505     .  0 0 "[    .    1    .    2]" 1 
       493 1 41 GLY QA   1 42 SER QB  4.920 . 5.410 4.079 3.889 4.253     .  0 0 "[    .    1    .    2]" 1 
       494 1 41 GLY QA   1 43 ASP H   3.870 . 4.260 3.142 2.905 3.493     .  0 0 "[    .    1    .    2]" 1 
       495 1 41 GLY QA   1 47 TYR QD  4.740 . 5.210 3.399 2.948 3.859     .  0 0 "[    .    1    .    2]" 1 
       496 1 41 GLY QA   1 53 LEU QD  3.570 . 3.930 2.073 1.738 2.420     .  0 0 "[    .    1    .    2]" 1 
       497 1 41 GLY QA   1 64 LEU QD  3.590 . 3.950 2.125 1.750 2.730     .  0 0 "[    .    1    .    2]" 1 
       498 1 41 GLY QA   1 66 VAL HA  4.220 . 4.640 2.543 2.070 3.029     .  0 0 "[    .    1    .    2]" 1 
       499 1 41 GLY QA   1 67 MET H   4.200 . 4.620 3.041 2.482 3.920     .  0 0 "[    .    1    .    2]" 1 
       500 1 41 GLY HA2  1 43 ASP H   4.740 . 5.210 4.199 3.988 4.610     .  0 0 "[    .    1    .    2]" 1 
       501 1 41 GLY HA3  1 43 ASP H   4.740 . 5.210 3.247 2.984 3.617     .  0 0 "[    .    1    .    2]" 1 
       502 1 42 SER H    1 42 SER HB2 4.140 . 4.550 2.933 2.475 3.604     .  0 0 "[    .    1    .    2]" 1 
       503 1 42 SER H    1 42 SER QB  3.540 . 3.890 2.431 2.264 2.626     .  0 0 "[    .    1    .    2]" 1 
       504 1 42 SER H    1 42 SER HB3 4.140 . 4.550 2.782 2.525 3.610     .  0 0 "[    .    1    .    2]" 1 
       505 1 42 SER H    1 43 ASP H   3.990 . 4.390 2.775 2.657 2.916     .  0 0 "[    .    1    .    2]" 1 
       506 1 42 SER H    1 53 LEU MD1 5.500 . 6.050 3.700 3.431 3.972     .  0 0 "[    .    1    .    2]" 1 
       507 1 42 SER H    1 53 LEU QD  4.810 . 5.290 3.510 3.263 3.772     .  0 0 "[    .    1    .    2]" 1 
       508 1 42 SER H    1 53 LEU MD2 5.500 . 6.050 4.422 3.631 4.967     .  0 0 "[    .    1    .    2]" 1 
       509 1 42 SER H    1 64 LEU QB  5.340 . 5.870 4.978 4.307 5.855     .  0 0 "[    .    1    .    2]" 1 
       510 1 42 SER H    1 64 LEU QD  3.630 . 3.990 2.386 1.671 3.205     .  0 0 "[    .    1    .    2]" 1 
       511 1 42 SER H    1 65 SER H   3.970 . 4.370 2.680 2.267 3.187     .  0 0 "[    .    1    .    2]" 1 
       512 1 42 SER H    1 66 VAL HA  4.690 . 5.160 3.910 3.508 4.413     .  0 0 "[    .    1    .    2]" 1 
       513 1 42 SER H    1 67 MET H   4.600 . 5.060 4.192 3.632 4.691     .  0 0 "[    .    1    .    2]" 1 
       514 1 42 SER H    1 67 MET QB  5.500 . 6.050 5.164 4.465 5.697     .  0 0 "[    .    1    .    2]" 1 
       515 1 42 SER H    1 67 MET ME  4.800 . 5.280 4.134 3.420 4.676     .  0 0 "[    .    1    .    2]" 1 
       516 1 42 SER H    1 67 MET QG  4.480 . 4.930 3.519 2.894 4.104     .  0 0 "[    .    1    .    2]" 1 
       517 1 42 SER HA   1 44 GLY H   4.540 . 4.990 3.879 3.382 4.393     .  0 0 "[    .    1    .    2]" 1 
       518 1 42 SER HA   1 67 MET QB  4.340 . 4.770 4.291 3.905 4.526     .  0 0 "[    .    1    .    2]" 1 
       519 1 42 SER HA   1 67 MET ME  4.390 . 4.830 2.391 1.633 3.533     .  0 0 "[    .    1    .    2]" 1 
       520 1 42 SER HA   1 67 MET HG2 4.040 . 4.440 3.081 2.055 4.026     .  0 0 "[    .    1    .    2]" 1 
       521 1 42 SER HA   1 67 MET QG  3.450 . 3.790 2.397 1.991 2.850     .  0 0 "[    .    1    .    2]" 1 
       522 1 42 SER HA   1 67 MET HG3 4.040 . 4.440 2.639 2.212 3.403     .  0 0 "[    .    1    .    2]" 1 
       523 1 42 SER QB   1 65 SER H   4.420 . 4.860 2.508 1.974 2.975     .  0 0 "[    .    1    .    2]" 1 
       524 1 42 SER QB   1 67 MET QG  4.300 . 4.730 3.411 2.802 4.190     .  0 0 "[    .    1    .    2]" 1 
       525 1 43 ASP H    1 43 ASP QB  3.610 . 3.970 2.337 2.193 2.677     .  0 0 "[    .    1    .    2]" 1 
       526 1 43 ASP H    1 44 GLY H   3.290 . 3.620 2.592 2.259 2.815     .  0 0 "[    .    1    .    2]" 1 
       527 1 43 ASP H    1 45 ALA H   4.320 . 4.750 3.910 3.470 4.671     .  0 0 "[    .    1    .    2]" 1 
       528 1 43 ASP H    1 45 ALA MB  5.500 . 6.050 4.821 4.184 5.629     .  0 0 "[    .    1    .    2]" 1 
       529 1 43 ASP H    1 64 LEU MD1 4.800 . 5.280 2.695 2.101 4.492     .  0 0 "[    .    1    .    2]" 1 
       530 1 43 ASP H    1 64 LEU QD  3.310 . 3.640 2.545 2.095 2.994     .  0 0 "[    .    1    .    2]" 1 
       531 1 43 ASP H    1 64 LEU MD2 4.800 . 5.280 4.593 2.706 5.349 0.069 20 0 "[    .    1    .    2]" 1 
       532 1 43 ASP H    1 64 LEU HG  5.500 . 6.050 4.879 2.221 5.562     .  0 0 "[    .    1    .    2]" 1 
       533 1 43 ASP QB   1 64 LEU QD  3.730 . 4.100 2.640 1.655 3.746     .  0 0 "[    .    1    .    2]" 1 
       534 1 44 GLY H    1 45 ALA H   3.470 . 3.820 2.344 2.000 2.665     .  0 0 "[    .    1    .    2]" 1 
       535 1 44 GLY H    1 64 LEU QD  4.610 . 5.070 4.214 3.716 4.569     .  0 0 "[    .    1    .    2]" 1 
       536 1 44 GLY QA   1 45 ALA HA  4.490 . 4.940 4.061 4.027 4.100     .  0 0 "[    .    1    .    2]" 1 
       537 1 45 ALA H    1 45 ALA MB  3.150 . 3.470 2.341 2.248 2.442     .  0 0 "[    .    1    .    2]" 1 
       538 1 45 ALA H    1 64 LEU QD  4.810 . 5.290 4.388 3.637 4.953     .  0 0 "[    .    1    .    2]" 1 
       539 1 45 ALA HA   1 46 THR H   3.030 . 3.330 2.225 2.173 2.288     .  0 0 "[    .    1    .    2]" 1 
       540 1 45 ALA HA   1 46 THR HB  5.170 . 5.690 4.710 4.498 4.832     .  0 0 "[    .    1    .    2]" 1 
       541 1 45 ALA MB   1 46 THR H   3.300 . 3.630 2.859 2.617 3.145     .  0 0 "[    .    1    .    2]" 1 
       542 1 46 THR H    1 46 THR HB  3.370 . 3.710 2.535 2.365 2.599     .  0 0 "[    .    1    .    2]" 1 
       543 1 46 THR HA   1 47 TYR H   3.250 . 3.580 2.168 2.139 2.257     .  0 0 "[    .    1    .    2]" 1 
       544 1 46 THR MG   1 47 TYR H   3.580 . 3.940 2.892 2.253 3.183     .  0 0 "[    .    1    .    2]" 1 
       545 1 46 THR MG   1 71 ARG H   4.780 . 5.260 4.181 3.463 4.798     .  0 0 "[    .    1    .    2]" 1 
       546 1 46 THR MG   1 71 ARG HA  3.180 . 3.500 2.191 1.878 2.675     .  0 0 "[    .    1    .    2]" 1 
       547 1 46 THR MG   1 71 ARG HD2 5.500 . 6.050 4.175 2.166 5.389     .  0 0 "[    .    1    .    2]" 1 
       548 1 46 THR MG   1 71 ARG QD  4.720 . 5.190 3.678 2.150 4.972     .  0 0 "[    .    1    .    2]" 1 
       549 1 46 THR MG   1 71 ARG HD3 5.500 . 6.050 4.374 3.271 5.832     .  0 0 "[    .    1    .    2]" 1 
       550 1 46 THR MG   1 71 ARG HG2 5.230 . 5.750 3.053 1.628 4.646     .  0 0 "[    .    1    .    2]" 1 
       551 1 46 THR MG   1 71 ARG QG  4.500 . 4.950 2.598 1.623 4.024     .  0 0 "[    .    1    .    2]" 1 
       552 1 46 THR MG   1 71 ARG HG3 5.230 . 5.750 3.467 1.769 4.853     .  0 0 "[    .    1    .    2]" 1 
       553 1 46 THR MG   1 72 CYS H   3.720 . 4.090 3.095 2.536 3.634     .  0 0 "[    .    1    .    2]" 1 
       554 1 47 TYR H    1 47 TYR QB  3.490 . 3.840 2.433 2.330 2.584     .  0 0 "[    .    1    .    2]" 1 
       555 1 47 TYR H    1 47 TYR QD  3.860 . 4.250 2.503 2.056 2.823     .  0 0 "[    .    1    .    2]" 1 
       556 1 47 TYR HA   1 47 TYR QD  3.900 . 4.290 2.958 2.782 3.135     .  0 0 "[    .    1    .    2]" 1 
       557 1 47 TYR HA   1 48 ARG H   3.130 . 3.440 2.345 2.217 2.473     .  0 0 "[    .    1    .    2]" 1 
       558 1 47 TYR HA   1 48 ARG QB  4.930 . 5.420 4.557 4.172 4.795     .  0 0 "[    .    1    .    2]" 1 
       559 1 47 TYR HA   1 49 ASP H   5.090 . 5.600 4.325 3.883 4.914     .  0 0 "[    .    1    .    2]" 1 
       560 1 47 TYR QB   1 48 ARG QB  5.100 . 5.610 4.201 3.623 4.920     .  0 0 "[    .    1    .    2]" 1 
       561 1 47 TYR QB   1 49 ASP H   3.750 . 4.130 2.808 2.544 3.258     .  0 0 "[    .    1    .    2]" 1 
       562 1 47 TYR QB   1 52 GLU HB3 4.100 . 4.510 2.552 2.122 3.163     .  0 0 "[    .    1    .    2]" 1 
       563 1 47 TYR QB   1 53 LEU H   4.230 . 4.650 3.236 2.876 3.783     .  0 0 "[    .    1    .    2]" 1 
       564 1 47 TYR QB   1 53 LEU HA  4.630 . 5.090 3.510 3.022 3.990     .  0 0 "[    .    1    .    2]" 1 
       565 1 47 TYR QB   1 53 LEU QB  5.180 . 5.700 2.686 2.302 3.265     .  0 0 "[    .    1    .    2]" 1 
       566 1 47 TYR QB   1 53 LEU QD  4.600 . 5.060 3.201 2.656 3.550     .  0 0 "[    .    1    .    2]" 1 
       567 1 47 TYR HB2  1 48 ARG H   4.340 . 4.770 3.804 3.548 4.074     .  0 0 "[    .    1    .    2]" 1 
       568 1 47 TYR HB2  1 49 ASP H   4.590 . 5.050 3.557 3.281 3.893     .  0 0 "[    .    1    .    2]" 1 
       569 1 47 TYR HB2  1 52 GLU HB3 4.690 . 5.160 3.779 3.304 4.483     .  0 0 "[    .    1    .    2]" 1 
       570 1 47 TYR HB3  1 48 ARG H   4.340 . 4.770 2.626 2.285 3.056     .  0 0 "[    .    1    .    2]" 1 
       571 1 47 TYR HB3  1 49 ASP H   4.590 . 5.050 2.948 2.616 3.495     .  0 0 "[    .    1    .    2]" 1 
       572 1 47 TYR HB3  1 52 GLU HB3 4.690 . 5.160 2.600 2.148 3.233     .  0 0 "[    .    1    .    2]" 1 
       573 1 47 TYR QD   1 48 ARG H   4.470 . 4.920 3.752 3.419 4.166     .  0 0 "[    .    1    .    2]" 1 
       574 1 47 TYR QD   1 52 GLU HB3 4.470 . 4.920 3.957 3.170 4.699     .  0 0 "[    .    1    .    2]" 1 
       575 1 47 TYR QD   1 52 GLU HG2 4.770 . 5.250 2.947 1.791 3.878     .  0 0 "[    .    1    .    2]" 1 
       576 1 47 TYR QD   1 52 GLU QG  4.110 . 4.520 2.355 1.763 3.079     .  0 0 "[    .    1    .    2]" 1 
       577 1 47 TYR QD   1 52 GLU HG3 4.770 . 5.250 2.827 1.800 4.649     .  0 0 "[    .    1    .    2]" 1 
       578 1 47 TYR QD   1 53 LEU H   5.500 . 6.050 4.459 3.696 5.348     .  0 0 "[    .    1    .    2]" 1 
       579 1 47 TYR QD   1 53 LEU HA  5.010 . 5.510 3.558 2.962 4.220     .  0 0 "[    .    1    .    2]" 1 
       580 1 47 TYR QD   1 53 LEU QD  4.180 . 4.600 2.512 2.066 3.172     .  0 0 "[    .    1    .    2]" 1 
       581 1 47 TYR QD   1 64 LEU QD  4.960 . 5.460 3.567 3.185 4.221     .  0 0 "[    .    1    .    2]" 1 
       582 1 48 ARG H    1 48 ARG HB2 4.020 . 4.420 2.768 2.144 3.658     .  0 0 "[    .    1    .    2]" 1 
       583 1 48 ARG H    1 48 ARG QB  3.240 . 3.560 2.478 2.096 2.668     .  0 0 "[    .    1    .    2]" 1 
       584 1 48 ARG H    1 48 ARG HB3 4.020 . 4.420 3.249 2.432 3.618     .  0 0 "[    .    1    .    2]" 1 
       585 1 48 ARG H    1 48 ARG HG2 4.540 . 4.990 2.788 1.768 4.496     .  0 0 "[    .    1    .    2]" 1 
       586 1 48 ARG H    1 48 ARG QG  3.950 . 4.350 2.434 1.762 3.978     .  0 0 "[    .    1    .    2]" 1 
       587 1 48 ARG H    1 48 ARG HG3 4.540 . 4.990 3.384 1.937 4.518     .  0 0 "[    .    1    .    2]" 1 
       588 1 48 ARG H    1 49 ASP H   3.700 . 4.070 2.794 2.475 3.080     .  0 0 "[    .    1    .    2]" 1 
       589 1 48 ARG H    1 52 GLU HB2 4.660 . 5.130 4.144 3.786 4.546     .  0 0 "[    .    1    .    2]" 1 
       590 1 48 ARG H    1 52 GLU HB3 4.400 . 4.840 3.498 3.262 4.004     .  0 0 "[    .    1    .    2]" 1 
       591 1 48 ARG H    1 52 GLU QG  4.500 . 4.950 2.817 1.947 4.003     .  0 0 "[    .    1    .    2]" 1 
       592 1 48 ARG HA   1 48 ARG HD2 5.500 . 6.050 3.860 2.030 5.545     .  0 0 "[    .    1    .    2]" 1 
       593 1 48 ARG HA   1 48 ARG QD  4.820 . 5.300 3.239 2.020 4.541     .  0 0 "[    .    1    .    2]" 1 
       594 1 48 ARG HA   1 48 ARG HD3 5.500 . 6.050 3.771 2.148 4.861     .  0 0 "[    .    1    .    2]" 1 
       595 1 48 ARG HA   1 48 ARG HG2 4.190 . 4.610 3.166 2.428 3.797     .  0 0 "[    .    1    .    2]" 1 
       596 1 48 ARG HA   1 48 ARG QG  3.610 . 3.970 2.880 2.352 3.471     .  0 0 "[    .    1    .    2]" 1 
       597 1 48 ARG HA   1 48 ARG HG3 4.190 . 4.610 3.490 2.382 4.237     .  0 0 "[    .    1    .    2]" 1 
       598 1 48 ARG QB   1 48 ARG QD  3.330 . 3.660 2.436 2.115 2.890     .  0 0 "[    .    1    .    2]" 1 
       599 1 48 ARG QB   1 49 ASP H   3.670 . 4.040 2.884 2.390 3.841     .  0 0 "[    .    1    .    2]" 1 
       600 1 48 ARG QB   1 52 GLU HB2 4.890 . 5.380 3.310 2.243 5.377     .  0 0 "[    .    1    .    2]" 1 
       601 1 48 ARG QB   1 52 GLU HB3 5.030 . 5.530 3.699 2.647 5.385     .  0 0 "[    .    1    .    2]" 1 
       602 1 48 ARG QB   1 52 GLU QG  4.760 . 5.240 3.305 2.098 4.702     .  0 0 "[    .    1    .    2]" 1 
       603 1 48 ARG HB2  1 49 ASP H   4.180 . 4.600 3.191 2.570 4.291     .  0 0 "[    .    1    .    2]" 1 
       604 1 48 ARG HB3  1 49 ASP H   4.180 . 4.600 3.704 2.414 4.334     .  0 0 "[    .    1    .    2]" 1 
       605 1 48 ARG QG   1 49 ASP H   4.390 . 4.830 3.734 2.233 4.549     .  0 0 "[    .    1    .    2]" 1 
       606 1 48 ARG QG   1 52 GLU HB2 4.460 . 4.910 4.001 2.199 4.927 0.017  7 0 "[    .    1    .    2]" 1 
       607 1 48 ARG QG   1 52 GLU HB3 5.340 . 5.870 4.295 2.763 5.201     .  0 0 "[    .    1    .    2]" 1 
       608 1 48 ARG QG   1 52 GLU QG  5.180 . 5.700 3.361 1.947 5.725 0.025  7 0 "[    .    1    .    2]" 1 
       609 1 49 ASP H    1 50 GLU H   4.740 . 5.210 4.373 4.313 4.403     .  0 0 "[    .    1    .    2]" 1 
       610 1 49 ASP H    1 52 GLU H   4.200 . 4.620 3.644 3.274 4.098     .  0 0 "[    .    1    .    2]" 1 
       611 1 49 ASP H    1 52 GLU HB2 3.610 . 3.970 3.122 2.624 3.814     .  0 0 "[    .    1    .    2]" 1 
       612 1 49 ASP H    1 52 GLU HB3 3.520 . 3.870 2.244 1.693 2.767     .  0 0 "[    .    1    .    2]" 1 
       613 1 49 ASP H    1 52 GLU QG  4.990 . 5.490 3.495 2.709 4.323     .  0 0 "[    .    1    .    2]" 1 
       614 1 49 ASP QB   1 50 GLU H   3.330 . 3.660 2.352 2.004 3.397     .  0 0 "[    .    1    .    2]" 1 
       615 1 49 ASP QB   1 51 CYS H   4.720 . 5.190 2.995 2.701 3.483     .  0 0 "[    .    1    .    2]" 1 
       616 1 49 ASP HB2  1 50 GLU H   4.130 . 4.540 2.423 2.017 3.921     .  0 0 "[    .    1    .    2]" 1 
       617 1 49 ASP HB3  1 50 GLU H   4.130 . 4.540 3.652 3.473 3.874     .  0 0 "[    .    1    .    2]" 1 
       618 1 50 GLU H    1 50 GLU HB2 3.730 . 4.100 2.451 2.086 2.568     .  0 0 "[    .    1    .    2]" 1 
       619 1 50 GLU H    1 50 GLU HB3 3.730 . 4.100 2.658 2.494 3.129     .  0 0 "[    .    1    .    2]" 1 
       620 1 50 GLU H    1 50 GLU QG  4.520 . 4.970 3.969 3.596 4.049     .  0 0 "[    .    1    .    2]" 1 
       621 1 50 GLU H    1 51 CYS H   3.790 . 4.170 2.726 2.555 2.965     .  0 0 "[    .    1    .    2]" 1 
       622 1 50 GLU H    1 52 GLU H   4.890 . 5.380 4.271 4.072 4.453     .  0 0 "[    .    1    .    2]" 1 
       623 1 50 GLU H    1 53 LEU H   5.130 . 5.640 4.863 4.627 5.148     .  0 0 "[    .    1    .    2]" 1 
       624 1 50 GLU HA   1 50 GLU QG  3.450 . 3.790 2.494 2.125 3.037     .  0 0 "[    .    1    .    2]" 1 
       625 1 50 GLU HA   1 53 LEU H   3.960 . 4.360 3.338 3.035 3.880     .  0 0 "[    .    1    .    2]" 1 
       626 1 50 GLU HA   1 53 LEU HB2 4.420 . 4.860 3.259 2.700 3.841     .  0 0 "[    .    1    .    2]" 1 
       627 1 50 GLU HA   1 53 LEU QB  3.540 . 3.890 2.646 2.232 3.182     .  0 0 "[    .    1    .    2]" 1 
       628 1 50 GLU HA   1 53 LEU HB3 4.420 . 4.860 2.813 2.338 3.417     .  0 0 "[    .    1    .    2]" 1 
       629 1 50 GLU HA   1 53 LEU MD1 4.950 . 5.440 3.793 3.248 4.892     .  0 0 "[    .    1    .    2]" 1 
       630 1 50 GLU HA   1 53 LEU MD2 4.950 . 5.440 4.202 3.085 4.768     .  0 0 "[    .    1    .    2]" 1 
       631 1 50 GLU QB   1 51 CYS H   3.950 . 4.350 2.720 2.474 2.933     .  0 0 "[    .    1    .    2]" 1 
       632 1 50 GLU HB2  1 51 CYS H   4.570 . 5.030 3.910 3.319 4.077     .  0 0 "[    .    1    .    2]" 1 
       633 1 50 GLU HB3  1 51 CYS H   4.570 . 5.030 2.778 2.504 3.009     .  0 0 "[    .    1    .    2]" 1 
       634 1 50 GLU QG   1 51 CYS HA  4.820 . 5.300 4.043 3.429 5.435 0.135  2 0 "[    .    1    .    2]" 1 
       635 1 50 GLU QG   1 53 LEU QB  4.500 . 4.950 3.508 2.825 4.442     .  0 0 "[    .    1    .    2]" 1 
       636 1 50 GLU QG   1 66 VAL QG  3.860 . 4.250 2.963 1.732 4.256 0.006 16 0 "[    .    1    .    2]" 1 
       637 1 51 CYS H    1 51 CYS HB2 3.620 . 3.980 2.535 2.398 2.735     .  0 0 "[    .    1    .    2]" 1 
       638 1 51 CYS H    1 51 CYS QB  3.070 . 3.380 2.340 2.228 2.650     .  0 0 "[    .    1    .    2]" 1 
       639 1 51 CYS H    1 51 CYS HB3 3.620 . 3.980 2.866 2.447 3.631     .  0 0 "[    .    1    .    2]" 1 
       640 1 51 CYS QB   1 52 GLU H   3.520 . 3.870 2.582 2.372 2.764     .  0 0 "[    .    1    .    2]" 1 
       641 1 51 CYS HB2  1 52 GLU H   4.310 . 4.740 3.551 2.562 4.024     .  0 0 "[    .    1    .    2]" 1 
       642 1 51 CYS HB3  1 52 GLU H   4.310 . 4.740 2.896 2.402 3.895     .  0 0 "[    .    1    .    2]" 1 
       643 1 52 GLU H    1 52 GLU HB2 3.440 . 3.780 2.510 2.360 2.659     .  0 0 "[    .    1    .    2]" 1 
       644 1 52 GLU H    1 52 GLU HB3 4.000 . 4.400 2.528 2.419 2.639     .  0 0 "[    .    1    .    2]" 1 
       645 1 52 GLU H    1 52 GLU HG2 5.290 . 5.820 4.558 4.416 4.620     .  0 0 "[    .    1    .    2]" 1 
       646 1 52 GLU H    1 52 GLU QG  4.520 . 4.970 4.024 3.977 4.068     .  0 0 "[    .    1    .    2]" 1 
       647 1 52 GLU H    1 52 GLU HG3 5.290 . 5.820 4.480 4.407 4.538     .  0 0 "[    .    1    .    2]" 1 
       648 1 52 GLU H    1 53 LEU H   3.580 . 3.940 2.752 2.553 2.946     .  0 0 "[    .    1    .    2]" 1 
       649 1 52 GLU HA   1 52 GLU HG2 4.150 . 4.570 3.654 3.159 3.849     .  0 0 "[    .    1    .    2]" 1 
       650 1 52 GLU HA   1 52 GLU QG  3.630 . 3.990 2.838 2.467 3.072     .  0 0 "[    .    1    .    2]" 1 
       651 1 52 GLU HA   1 52 GLU HG3 4.150 . 4.570 2.959 2.565 3.229     .  0 0 "[    .    1    .    2]" 1 
       652 1 52 GLU HA   1 55 ALA H   4.140 . 4.550 3.508 3.191 3.871     .  0 0 "[    .    1    .    2]" 1 
       653 1 52 GLU HA   1 55 ALA MB  3.390 . 3.730 2.629 2.300 3.051     .  0 0 "[    .    1    .    2]" 1 
       654 1 52 GLU HB2  1 53 LEU H   4.110 . 4.520 3.837 3.572 4.025     .  0 0 "[    .    1    .    2]" 1 
       655 1 52 GLU HB3  1 53 LEU H   4.040 . 4.440 2.515 2.188 2.758     .  0 0 "[    .    1    .    2]" 1 
       656 1 52 GLU HB3  1 53 LEU QB  5.340 . 5.870 4.000 3.769 4.177     .  0 0 "[    .    1    .    2]" 1 
       657 1 52 GLU QG   1 53 LEU H   5.340 . 5.870 3.549 3.336 3.771     .  0 0 "[    .    1    .    2]" 1 
       658 1 52 GLU QG   1 53 LEU HA  4.500 . 4.950 3.704 3.491 3.966     .  0 0 "[    .    1    .    2]" 1 
       659 1 52 GLU QG   1 55 ALA MB  4.780 . 5.260 4.006 3.437 4.688     .  0 0 "[    .    1    .    2]" 1 
       660 1 52 GLU HG2  1 55 ALA MB  5.450 . 6.000 5.140 4.196 6.001 0.001  5 0 "[    .    1    .    2]" 1 
       661 1 52 GLU HG3  1 55 ALA MB  5.450 . 6.000 4.189 3.627 4.894     .  0 0 "[    .    1    .    2]" 1 
       662 1 53 LEU H    1 53 LEU HB2 3.460 . 3.810 2.426 2.264 2.524     .  0 0 "[    .    1    .    2]" 1 
       663 1 53 LEU H    1 53 LEU HB3 3.460 . 3.810 2.571 2.479 2.775     .  0 0 "[    .    1    .    2]" 1 
       664 1 53 LEU H    1 53 LEU MD1 4.560 . 5.020 4.206 4.076 4.321     .  0 0 "[    .    1    .    2]" 1 
       665 1 53 LEU H    1 53 LEU MD2 4.560 . 5.020 4.206 3.838 4.262     .  0 0 "[    .    1    .    2]" 1 
       666 1 53 LEU H    1 54 ARG H   3.810 . 4.190 2.789 2.621 2.958     .  0 0 "[    .    1    .    2]" 1 
       667 1 53 LEU H    1 55 ALA H   4.820 . 5.300 4.091 3.826 4.418     .  0 0 "[    .    1    .    2]" 1 
       668 1 53 LEU HA   1 53 LEU MD1 4.080 . 4.490 3.477 2.157 3.756     .  0 0 "[    .    1    .    2]" 1 
       669 1 53 LEU HA   1 53 LEU QD  3.540 . 3.890 2.888 1.896 3.096     .  0 0 "[    .    1    .    2]" 1 
       670 1 53 LEU HA   1 53 LEU MD2 4.080 . 4.490 3.241 1.926 3.950     .  0 0 "[    .    1    .    2]" 1 
       671 1 53 LEU HA   1 53 LEU HG  3.700 . 4.070 2.644 2.478 3.724     .  0 0 "[    .    1    .    2]" 1 
       672 1 53 LEU HA   1 56 ALA H   4.200 . 4.620 3.434 2.895 3.857     .  0 0 "[    .    1    .    2]" 1 
       673 1 53 LEU HA   1 56 ALA MB  3.630 . 3.990 2.624 2.154 3.047     .  0 0 "[    .    1    .    2]" 1 
       674 1 53 LEU HA   1 57 ARG H   5.500 . 6.050 4.217 3.925 4.547     .  0 0 "[    .    1    .    2]" 1 
       675 1 53 LEU HA   1 64 LEU QD  4.130 . 4.540 3.007 2.427 3.648     .  0 0 "[    .    1    .    2]" 1 
       676 1 53 LEU QB   1 53 LEU QD  2.740 . 3.010 1.928 1.905 2.071     .  0 0 "[    .    1    .    2]" 1 
       677 1 53 LEU QB   1 54 ARG H   3.750 . 4.130 2.414 2.230 2.609     .  0 0 "[    .    1    .    2]" 1 
       678 1 53 LEU HB2  1 54 ARG H   4.360 . 4.800 3.757 3.600 3.868     .  0 0 "[    .    1    .    2]" 1 
       679 1 53 LEU HB3  1 54 ARG H   4.360 . 4.800 2.444 2.251 2.652     .  0 0 "[    .    1    .    2]" 1 
       680 1 53 LEU QD   1 54 ARG H   4.060 . 4.470 3.151 2.842 3.628     .  0 0 "[    .    1    .    2]" 1 
       681 1 53 LEU QD   1 54 ARG HA  3.660 . 4.030 2.951 2.567 4.052 0.022  4 0 "[    .    1    .    2]" 1 
       682 1 53 LEU QD   1 54 ARG QB  5.280 . 5.810 4.051 3.377 4.585     .  0 0 "[    .    1    .    2]" 1 
       683 1 53 LEU QD   1 54 ARG QD  4.950 . 5.440 4.115 1.978 5.471 0.031 18 0 "[    .    1    .    2]" 1 
       684 1 53 LEU QD   1 54 ARG QG  4.060 . 4.470 3.417 2.443 4.522 0.052 15 0 "[    .    1    .    2]" 1 
       685 1 53 LEU QD   1 56 ALA MB  4.310 . 4.740 3.708 2.494 4.201     .  0 0 "[    .    1    .    2]" 1 
       686 1 53 LEU QD   1 57 ARG H   4.660 . 5.130 3.808 3.506 4.522     .  0 0 "[    .    1    .    2]" 1 
       687 1 53 LEU QD   1 57 ARG QB  5.280 . 5.810 3.178 2.596 4.233     .  0 0 "[    .    1    .    2]" 1 
       688 1 53 LEU QD   1 64 LEU QD  3.180 . 3.500 2.307 1.767 2.737     .  0 0 "[    .    1    .    2]" 1 
       689 1 53 LEU QD   1 64 LEU HG  3.820 . 4.200 2.518 2.086 4.210 0.010 11 0 "[    .    1    .    2]" 1 
       690 1 53 LEU QD   1 65 SER HA  3.840 . 4.220 2.855 1.802 3.852     .  0 0 "[    .    1    .    2]" 1 
       691 1 53 LEU QD   1 66 VAL H   3.930 . 4.320 3.080 2.470 3.720     .  0 0 "[    .    1    .    2]" 1 
       692 1 53 LEU QD   1 66 VAL HA  3.760 . 4.140 2.404 2.025 3.012     .  0 0 "[    .    1    .    2]" 1 
       693 1 53 LEU QD   1 66 VAL HB  4.900 . 5.390 2.715 1.782 4.266     .  0 0 "[    .    1    .    2]" 1 
       694 1 53 LEU QD   1 66 VAL QG  2.950 . 3.250 2.233 1.580 2.749     .  0 0 "[    .    1    .    2]" 1 
       695 1 53 LEU MD1  1 64 LEU HG  4.470 . 4.920 3.386 2.194 4.915     .  0 0 "[    .    1    .    2]" 1 
       696 1 53 LEU MD1  1 66 VAL HA  4.320 . 4.750 2.596 2.061 3.932     .  0 0 "[    .    1    .    2]" 1 
       697 1 53 LEU MD2  1 64 LEU HG  4.470 . 4.920 2.807 2.116 4.847     .  0 0 "[    .    1    .    2]" 1 
       698 1 53 LEU MD2  1 66 VAL HA  4.320 . 4.750 3.522 2.139 4.079     .  0 0 "[    .    1    .    2]" 1 
       699 1 53 LEU HG   1 56 ALA MB  5.350 . 5.890 3.945 3.097 5.022     .  0 0 "[    .    1    .    2]" 1 
       700 1 53 LEU HG   1 64 LEU QD  4.220 . 4.640 2.360 1.771 4.141     .  0 0 "[    .    1    .    2]" 1 
       701 1 53 LEU HG   1 66 VAL QG  4.690 . 5.160 4.451 1.776 5.141     .  0 0 "[    .    1    .    2]" 1 
       702 1 54 ARG H    1 54 ARG HB2 3.920 . 4.310 2.476 2.056 2.893     .  0 0 "[    .    1    .    2]" 1 
       703 1 54 ARG H    1 54 ARG QB  3.200 . 3.520 2.392 2.031 2.782     .  0 0 "[    .    1    .    2]" 1 
       704 1 54 ARG H    1 54 ARG HB3 3.920 . 4.310 3.370 2.311 3.614     .  0 0 "[    .    1    .    2]" 1 
       705 1 54 ARG H    1 54 ARG QD  4.730 . 5.200 3.684 2.056 4.991     .  0 0 "[    .    1    .    2]" 1 
       706 1 54 ARG H    1 54 ARG QG  3.830 . 4.210 2.677 1.968 3.966     .  0 0 "[    .    1    .    2]" 1 
       707 1 54 ARG H    1 55 ALA H   3.710 . 4.080 2.721 2.590 2.871     .  0 0 "[    .    1    .    2]" 1 
       708 1 54 ARG H    1 55 ALA MB  4.650 . 5.120 4.401 4.295 4.501     .  0 0 "[    .    1    .    2]" 1 
       709 1 54 ARG HA   1 54 ARG QD  4.840 . 5.320 3.672 2.092 4.267     .  0 0 "[    .    1    .    2]" 1 
       710 1 54 ARG HA   1 54 ARG HG2 3.920 . 4.310 2.911 2.451 3.713     .  0 0 "[    .    1    .    2]" 1 
       711 1 54 ARG HA   1 54 ARG QG  3.360 . 3.700 2.537 2.322 3.282     .  0 0 "[    .    1    .    2]" 1 
       712 1 54 ARG HA   1 54 ARG HG3 3.920 . 4.310 2.994 2.424 3.860     .  0 0 "[    .    1    .    2]" 1 
       713 1 54 ARG HA   1 57 ARG H   4.480 . 4.930 3.492 2.900 3.977     .  0 0 "[    .    1    .    2]" 1 
       714 1 54 ARG HA   1 57 ARG QB  3.940 . 4.330 2.746 2.175 3.635     .  0 0 "[    .    1    .    2]" 1 
       715 1 54 ARG HA   1 57 ARG QD  5.340 . 5.870 3.756 2.489 5.632     .  0 0 "[    .    1    .    2]" 1 
       716 1 54 ARG QB   1 54 ARG QD  3.300 . 3.630 2.358 2.101 2.841     .  0 0 "[    .    1    .    2]" 1 
       717 1 54 ARG QB   1 55 ALA H   3.790 . 4.170 2.715 2.328 3.101     .  0 0 "[    .    1    .    2]" 1 
       718 1 54 ARG QB   1 55 ALA HA  4.720 . 5.190 4.079 3.890 4.503     .  0 0 "[    .    1    .    2]" 1 
       719 1 54 ARG HB2  1 55 ALA HA  5.500 . 6.050 4.772 4.129 5.756     .  0 0 "[    .    1    .    2]" 1 
       720 1 54 ARG HB3  1 55 ALA HA  5.500 . 6.050 4.545 4.199 4.936     .  0 0 "[    .    1    .    2]" 1 
       721 1 55 ALA H    1 55 ALA MB  3.090 . 3.400 2.252 2.235 2.294     .  0 0 "[    .    1    .    2]" 1 
       722 1 55 ALA H    1 56 ALA H   3.610 . 3.970 2.650 2.337 2.822     .  0 0 "[    .    1    .    2]" 1 
       723 1 55 ALA H    1 57 ARG H   4.450 . 4.890 4.037 3.771 4.279     .  0 0 "[    .    1    .    2]" 1 
       724 1 55 ALA HA   1 57 ARG QB  5.340 . 5.870 4.736 4.116 5.698     .  0 0 "[    .    1    .    2]" 1 
       725 1 55 ALA HA   1 58 CYS H   4.810 . 5.290 3.476 3.137 3.839     .  0 0 "[    .    1    .    2]" 1 
       726 1 55 ALA HA   1 58 CYS QB  3.990 . 4.390 3.001 2.438 3.777     .  0 0 "[    .    1    .    2]" 1 
       727 1 55 ALA MB   1 56 ALA H   3.480 . 3.830 2.476 2.215 2.746     .  0 0 "[    .    1    .    2]" 1 
       728 1 55 ALA MB   1 58 CYS H   5.500 . 6.050 4.586 4.381 4.781     .  0 0 "[    .    1    .    2]" 1 
       729 1 55 ALA MB   1 58 CYS QB  5.030 . 5.530 4.078 3.648 4.480     .  0 0 "[    .    1    .    2]" 1 
       730 1 56 ALA H    1 56 ALA MB  2.980 . 3.280 2.239 2.228 2.256     .  0 0 "[    .    1    .    2]" 1 
       731 1 56 ALA H    1 57 ARG H   3.640 . 4.000 2.722 2.555 2.828     .  0 0 "[    .    1    .    2]" 1 
       732 1 56 ALA H    1 64 LEU QD  4.710 . 5.180 4.149 3.765 4.996     .  0 0 "[    .    1    .    2]" 1 
       733 1 56 ALA HA   1 59 ARG H   4.140 . 4.550 3.254 2.944 3.668     .  0 0 "[    .    1    .    2]" 1 
       734 1 56 ALA HA   1 59 ARG HB2 4.400 . 4.840 2.963 1.885 4.116     .  0 0 "[    .    1    .    2]" 1 
       735 1 56 ALA HA   1 59 ARG QB  3.710 . 4.080 2.364 1.573 3.091     .  0 0 "[    .    1    .    2]" 1 
       736 1 56 ALA HA   1 59 ARG HB3 4.400 . 4.840 2.875 1.577 4.344     .  0 0 "[    .    1    .    2]" 1 
       737 1 56 ALA HA   1 59 ARG QD  5.000 . 5.500 4.046 2.016 5.404     .  0 0 "[    .    1    .    2]" 1 
       738 1 56 ALA HA   1 59 ARG QG  4.450 . 4.890 3.709 2.229 4.950 0.060  3 0 "[    .    1    .    2]" 1 
       739 1 56 ALA HA   1 64 LEU QD  5.440 . 5.980 4.352 3.875 5.238     .  0 0 "[    .    1    .    2]" 1 
       740 1 56 ALA MB   1 57 ARG H   3.540 . 3.890 2.649 2.504 2.910     .  0 0 "[    .    1    .    2]" 1 
       741 1 56 ALA MB   1 58 CYS H   4.820 . 5.300 4.645 4.314 4.835     .  0 0 "[    .    1    .    2]" 1 
       742 1 56 ALA MB   1 59 ARG HB2 5.110 . 5.620 4.389 3.431 5.495     .  0 0 "[    .    1    .    2]" 1 
       743 1 56 ALA MB   1 59 ARG QB  4.300 . 4.730 3.627 3.269 4.256     .  0 0 "[    .    1    .    2]" 1 
       744 1 56 ALA MB   1 59 ARG HB3 5.110 . 5.620 4.111 3.355 5.210     .  0 0 "[    .    1    .    2]" 1 
       745 1 56 ALA MB   1 59 ARG QG  5.340 . 5.870 4.630 3.749 5.722     .  0 0 "[    .    1    .    2]" 1 
       746 1 56 ALA MB   1 64 LEU QD  3.290 . 3.620 2.241 1.895 2.886     .  0 0 "[    .    1    .    2]" 1 
       747 1 57 ARG H    1 57 ARG HB2 3.650 . 4.020 2.628 2.349 3.618     .  0 0 "[    .    1    .    2]" 1 
       748 1 57 ARG H    1 57 ARG HB3 3.650 . 4.020 2.573 2.375 3.610     .  0 0 "[    .    1    .    2]" 1 
       749 1 57 ARG H    1 57 ARG QD  5.340 . 5.870 4.395 3.990 4.751     .  0 0 "[    .    1    .    2]" 1 
       750 1 57 ARG H    1 58 CYS H   3.720 . 4.090 2.782 2.634 2.983     .  0 0 "[    .    1    .    2]" 1 
       751 1 57 ARG H    1 64 LEU QD  4.080 . 4.490 2.975 2.370 4.102     .  0 0 "[    .    1    .    2]" 1 
       752 1 57 ARG HA   1 57 ARG HG2 4.020 . 4.420 3.141 2.415 3.886     .  0 0 "[    .    1    .    2]" 1 
       753 1 57 ARG HA   1 57 ARG QG  3.460 . 3.810 2.624 2.383 3.345     .  0 0 "[    .    1    .    2]" 1 
       754 1 57 ARG HA   1 57 ARG HG3 4.020 . 4.420 2.971 2.498 3.671     .  0 0 "[    .    1    .    2]" 1 
       755 1 57 ARG HA   1 61 HIS H   4.030 . 4.430 3.251 2.620 3.985     .  0 0 "[    .    1    .    2]" 1 
       756 1 57 ARG HA   1 61 HIS HB2 4.170 . 4.590 2.694 1.804 4.602 0.012  2 0 "[    .    1    .    2]" 1 
       757 1 57 ARG HA   1 61 HIS QB  3.400 . 3.740 2.548 1.789 3.699     .  0 0 "[    .    1    .    2]" 1 
       758 1 57 ARG HA   1 61 HIS HB3 4.170 . 4.590 3.636 2.918 4.652 0.062  3 0 "[    .    1    .    2]" 1 
       759 1 57 ARG HA   1 64 LEU QD  4.390 . 4.830 3.107 2.412 4.382     .  0 0 "[    .    1    .    2]" 1 
       760 1 57 ARG QB   1 57 ARG QD  3.260 . 3.590 2.268 2.115 2.737     .  0 0 "[    .    1    .    2]" 1 
       761 1 57 ARG QB   1 58 CYS H   3.550 . 3.900 2.567 2.295 3.678     .  0 0 "[    .    1    .    2]" 1 
       762 1 57 ARG HB2  1 58 CYS H   4.230 . 4.650 3.781 2.516 4.257     .  0 0 "[    .    1    .    2]" 1 
       763 1 57 ARG HB3  1 58 CYS H   4.230 . 4.650 2.689 2.321 4.022     .  0 0 "[    .    1    .    2]" 1 
       764 1 57 ARG QD   1 62 PRO HA  4.200 . 4.620 3.894 2.044 4.654 0.034  1 0 "[    .    1    .    2]" 1 
       765 1 57 ARG QG   1 58 CYS H   5.340 . 5.870 3.489 2.327 4.207     .  0 0 "[    .    1    .    2]" 1 
       766 1 57 ARG QG   1 62 PRO HA  3.880 . 4.270 2.975 1.948 4.299 0.029 16 0 "[    .    1    .    2]" 1 
       767 1 58 CYS H    1 58 CYS HB2 3.590 . 3.950 2.583 2.263 2.812     .  0 0 "[    .    1    .    2]" 1 
       768 1 58 CYS H    1 58 CYS HB3 3.590 . 3.950 2.829 2.327 3.644     .  0 0 "[    .    1    .    2]" 1 
       769 1 58 CYS H    1 59 ARG H   3.740 . 4.110 2.580 2.392 2.792     .  0 0 "[    .    1    .    2]" 1 
       770 1 58 CYS HB2  1 59 ARG H   4.230 . 4.650 3.853 2.861 4.274     .  0 0 "[    .    1    .    2]" 1 
       771 1 58 CYS HB3  1 59 ARG H   4.230 . 4.650 3.298 2.553 4.369     .  0 0 "[    .    1    .    2]" 1 
       772 1 59 ARG H    1 59 ARG HB2 4.000 . 4.400 2.568 2.310 2.867     .  0 0 "[    .    1    .    2]" 1 
       773 1 59 ARG H    1 59 ARG QB  3.450 . 3.790 2.303 2.149 2.503     .  0 0 "[    .    1    .    2]" 1 
       774 1 59 ARG H    1 59 ARG HB3 4.000 . 4.400 2.817 2.224 3.668     .  0 0 "[    .    1    .    2]" 1 
       775 1 59 ARG H    1 59 ARG QG  4.430 . 4.870 3.655 2.208 4.163     .  0 0 "[    .    1    .    2]" 1 
       776 1 59 ARG H    1 60 GLY H   4.520 . 4.970 3.118 2.402 3.974     .  0 0 "[    .    1    .    2]" 1 
       777 1 59 ARG H    1 61 HIS H   4.730 . 5.200 3.862 3.222 4.243     .  0 0 "[    .    1    .    2]" 1 
       778 1 59 ARG HA   1 59 ARG HD2 4.860 . 5.350 3.748 1.951 4.968     .  0 0 "[    .    1    .    2]" 1 
       779 1 59 ARG HA   1 59 ARG QD  4.220 . 4.640 3.213 1.915 4.266     .  0 0 "[    .    1    .    2]" 1 
       780 1 59 ARG HA   1 59 ARG HD3 4.860 . 5.350 3.754 1.931 4.925     .  0 0 "[    .    1    .    2]" 1 
       781 1 59 ARG HA   1 59 ARG HG2 4.050 . 4.460 3.206 2.449 3.802     .  0 0 "[    .    1    .    2]" 1 
       782 1 59 ARG HA   1 59 ARG QG  3.410 . 3.750 2.642 2.339 3.032     .  0 0 "[    .    1    .    2]" 1 
       783 1 59 ARG HA   1 59 ARG HG3 4.050 . 4.460 2.971 2.554 3.744     .  0 0 "[    .    1    .    2]" 1 
       784 1 59 ARG QB   1 59 ARG QD  3.240 . 3.560 2.310 2.072 2.709     .  0 0 "[    .    1    .    2]" 1 
       785 1 61 HIS H    1 61 HIS HB2 4.180 . 4.600 2.706 2.529 3.101     .  0 0 "[    .    1    .    2]" 1 
       786 1 61 HIS H    1 61 HIS QB  3.530 . 3.880 2.633 2.489 2.743     .  0 0 "[    .    1    .    2]" 1 
       787 1 61 HIS H    1 61 HIS HB3 4.180 . 4.600 3.755 2.842 3.871     .  0 0 "[    .    1    .    2]" 1 
       788 1 61 HIS H    1 62 PRO HD2 4.740 . 5.210 4.458 4.019 4.921     .  0 0 "[    .    1    .    2]" 1 
       789 1 61 HIS H    1 62 PRO QD  4.080 . 4.490 3.261 2.950 3.748     .  0 0 "[    .    1    .    2]" 1 
       790 1 61 HIS H    1 62 PRO HD3 4.740 . 5.210 3.367 2.994 4.034     .  0 0 "[    .    1    .    2]" 1 
       791 1 61 HIS HA   1 62 PRO HD2 3.520 . 3.870 2.401 1.970 2.727     .  0 0 "[    .    1    .    2]" 1 
       792 1 61 HIS HA   1 62 PRO QD  3.010 . 3.310 2.124 1.931 2.262     .  0 0 "[    .    1    .    2]" 1 
       793 1 61 HIS HA   1 62 PRO HD3 3.520 . 3.870 2.553 2.076 2.979     .  0 0 "[    .    1    .    2]" 1 
       794 1 61 HIS HA   1 63 ASP H   4.660 . 5.130 3.420 3.131 3.825     .  0 0 "[    .    1    .    2]" 1 
       795 1 61 HIS QB   1 64 LEU H   4.230 . 4.650 3.051 2.359 4.434     .  0 0 "[    .    1    .    2]" 1 
       796 1 61 HIS QB   1 64 LEU QB  3.600 . 3.960 2.119 1.613 3.549     .  0 0 "[    .    1    .    2]" 1 
       797 1 61 HIS QB   1 64 LEU QD  3.730 . 4.100 2.713 2.165 3.791     .  0 0 "[    .    1    .    2]" 1 
       798 1 62 PRO HA   1 64 LEU H   4.680 . 5.150 3.831 3.360 4.036     .  0 0 "[    .    1    .    2]" 1 
       799 1 62 PRO QB   1 63 ASP H   4.030 . 4.430 3.148 2.569 3.475     .  0 0 "[    .    1    .    2]" 1 
       800 1 62 PRO QD   1 63 ASP H   4.020 . 4.420 2.635 2.285 2.883     .  0 0 "[    .    1    .    2]" 1 
       801 1 62 PRO QG   1 63 ASP H   3.820 . 4.200 3.392 2.456 4.109     .  0 0 "[    .    1    .    2]" 1 
       802 1 62 PRO HG2  1 63 ASP H   4.430 . 4.870 3.592 2.479 4.494     .  0 0 "[    .    1    .    2]" 1 
       803 1 62 PRO HG3  1 63 ASP H   4.430 . 4.870 4.415 3.982 4.755     .  0 0 "[    .    1    .    2]" 1 
       804 1 63 ASP H    1 63 ASP HB2 4.200 . 4.620 2.683 2.491 3.617     .  0 0 "[    .    1    .    2]" 1 
       805 1 63 ASP H    1 63 ASP QB  3.490 . 3.840 2.499 2.244 2.726     .  0 0 "[    .    1    .    2]" 1 
       806 1 63 ASP H    1 63 ASP HB3 4.200 . 4.620 3.369 2.410 3.727     .  0 0 "[    .    1    .    2]" 1 
       807 1 63 ASP H    1 64 LEU H   3.380 . 3.720 2.521 2.368 2.685     .  0 0 "[    .    1    .    2]" 1 
       808 1 63 ASP HB2  1 64 LEU H   5.500 . 6.050 3.623 3.103 4.297     .  0 0 "[    .    1    .    2]" 1 
       809 1 63 ASP HB3  1 64 LEU H   5.500 . 6.050 4.137 3.077 4.480     .  0 0 "[    .    1    .    2]" 1 
       810 1 64 LEU H    1 64 LEU HB2 3.490 . 3.840 2.528 2.133 2.656     .  0 0 "[    .    1    .    2]" 1 
       811 1 64 LEU H    1 64 LEU HB3 3.490 . 3.840 2.543 2.414 2.994     .  0 0 "[    .    1    .    2]" 1 
       812 1 64 LEU H    1 64 LEU MD1 4.430 . 4.870 4.152 4.063 4.316     .  0 0 "[    .    1    .    2]" 1 
       813 1 64 LEU H    1 64 LEU QD  3.890 . 4.280 3.736 3.577 3.813     .  0 0 "[    .    1    .    2]" 1 
       814 1 64 LEU H    1 64 LEU MD2 4.430 . 4.870 4.248 3.820 4.310     .  0 0 "[    .    1    .    2]" 1 
       815 1 64 LEU H    1 64 LEU HG  4.730 . 5.200 4.467 4.043 4.619     .  0 0 "[    .    1    .    2]" 1 
       816 1 64 LEU HA   1 64 LEU QD  3.410 . 3.750 2.097 1.899 2.863     .  0 0 "[    .    1    .    2]" 1 
       817 1 64 LEU HA   1 65 SER H   3.250 . 3.580 2.146 2.106 2.180     .  0 0 "[    .    1    .    2]" 1 
       818 1 64 LEU QD   1 65 SER H   4.680 . 5.150 2.591 2.201 2.893     .  0 0 "[    .    1    .    2]" 1 
       819 1 64 LEU HG   1 65 SER H   5.070 . 5.580 3.622 3.144 5.092     .  0 0 "[    .    1    .    2]" 1 
       820 1 65 SER H    1 65 SER QB  3.520 . 3.870 2.728 2.490 3.078     .  0 0 "[    .    1    .    2]" 1 
       821 1 65 SER HA   1 66 VAL H   3.200 . 3.520 2.392 2.223 2.486     .  0 0 "[    .    1    .    2]" 1 
       822 1 65 SER QB   1 66 VAL H   3.330 . 3.660 2.519 2.366 2.932     .  0 0 "[    .    1    .    2]" 1 
       823 1 65 SER QB   1 66 VAL HB  4.980 . 5.480 4.877 4.254 5.349     .  0 0 "[    .    1    .    2]" 1 
       824 1 65 SER QB   1 66 VAL QG  4.870 . 5.360 3.755 3.471 4.083     .  0 0 "[    .    1    .    2]" 1 
       825 1 65 SER HB2  1 66 VAL H   3.850 . 4.230 3.499 2.459 3.883     .  0 0 "[    .    1    .    2]" 1 
       826 1 65 SER HB3  1 66 VAL H   3.850 . 4.230 2.815 2.398 4.042     .  0 0 "[    .    1    .    2]" 1 
       827 1 66 VAL H    1 66 VAL HB  3.150 . 3.470 2.714 2.482 2.957     .  0 0 "[    .    1    .    2]" 1 
       828 1 66 VAL H    1 66 VAL MG1 3.950 . 4.350 2.591 1.848 3.821     .  0 0 "[    .    1    .    2]" 1 
       829 1 66 VAL H    1 66 VAL QG  3.110 . 3.420 2.014 1.844 2.274     .  0 0 "[    .    1    .    2]" 1 
       830 1 66 VAL H    1 66 VAL MG2 3.950 . 4.350 3.245 2.109 3.852     .  0 0 "[    .    1    .    2]" 1 
       831 1 66 VAL HA   1 66 VAL MG1 3.470 . 3.820 2.937 2.378 3.228     .  0 0 "[    .    1    .    2]" 1 
       832 1 66 VAL HA   1 66 VAL MG2 3.470 . 3.820 2.405 2.355 2.464     .  0 0 "[    .    1    .    2]" 1 
       833 1 66 VAL HA   1 67 MET H   3.070 . 3.380 2.172 2.146 2.194     .  0 0 "[    .    1    .    2]" 1 
       834 1 66 VAL HA   1 67 MET QB  4.840 . 5.320 4.392 4.293 4.458     .  0 0 "[    .    1    .    2]" 1 
       835 1 66 VAL HA   1 68 TYR H   4.450 . 4.890 4.167 3.844 4.456     .  0 0 "[    .    1    .    2]" 1 
       836 1 66 VAL HB   1 67 MET H   4.840 . 5.320 4.267 4.185 4.374     .  0 0 "[    .    1    .    2]" 1 
       837 1 66 VAL HB   1 68 TYR H   5.500 . 6.050 5.402 4.843 6.066 0.016  2 0 "[    .    1    .    2]" 1 
       838 1 66 VAL QG   1 67 MET H   3.570 . 3.930 2.780 2.533 3.012     .  0 0 "[    .    1    .    2]" 1 
       839 1 66 VAL QG   1 67 MET QB  4.670 . 5.140 3.988 3.759 4.260     .  0 0 "[    .    1    .    2]" 1 
       840 1 66 VAL QG   1 68 TYR H   3.350 . 3.690 2.809 2.377 3.448     .  0 0 "[    .    1    .    2]" 1 
       841 1 66 VAL QG   1 68 TYR HA  4.030 . 4.430 3.200 2.894 3.661     .  0 0 "[    .    1    .    2]" 1 
       842 1 66 VAL QG   1 69 ARG H   4.480 . 4.930 4.046 3.462 4.411     .  0 0 "[    .    1    .    2]" 1 
       843 1 66 VAL QG   1 69 ARG QG  4.000 . 4.400 3.167 2.162 3.919     .  0 0 "[    .    1    .    2]" 1 
       844 1 66 VAL MG1  1 67 MET H   4.350 . 4.790 3.679 2.756 4.271     .  0 0 "[    .    1    .    2]" 1 
       845 1 66 VAL MG2  1 67 MET H   4.350 . 4.790 3.263 2.565 4.234     .  0 0 "[    .    1    .    2]" 1 
       846 1 67 MET H    1 67 MET QG  4.090 . 4.500 2.558 2.268 2.885     .  0 0 "[    .    1    .    2]" 1 
       847 1 67 MET H    1 68 TYR H   3.270 . 3.600 2.559 2.437 2.851     .  0 0 "[    .    1    .    2]" 1 
       848 1 67 MET HA   1 67 MET ME  4.460 . 4.910 3.967 1.670 4.603     .  0 0 "[    .    1    .    2]" 1 
       849 1 67 MET HA   1 67 MET HG2 4.170 . 4.590 2.694 2.426 3.085     .  0 0 "[    .    1    .    2]" 1 
       850 1 67 MET HA   1 67 MET QG  3.590 . 3.950 2.586 2.348 2.948     .  0 0 "[    .    1    .    2]" 1 
       851 1 67 MET HA   1 67 MET HG3 4.170 . 4.590 3.340 2.963 3.807     .  0 0 "[    .    1    .    2]" 1 
       852 1 67 MET QB   1 67 MET ME  3.930 . 4.320 3.237 2.000 3.710     .  0 0 "[    .    1    .    2]" 1 
       853 1 67 MET QB   1 68 TYR H   3.900 . 4.130 2.350 2.168 2.564     .  0 0 "[    .    1    .    2]" 1 
       854 1 67 MET QB   1 68 TYR QD  3.790 . 4.170 2.316 2.020 2.631     .  0 0 "[    .    1    .    2]" 1 
       855 1 67 MET QB   1 68 TYR QE  4.610 . 5.070 3.149 2.862 3.602     .  0 0 "[    .    1    .    2]" 1 
       856 1 67 MET QG   1 68 TYR H   5.340 . 5.870 4.045 3.887 4.134     .  0 0 "[    .    1    .    2]" 1 
       857 1 68 TYR H    1 68 TYR QD  4.790 . 5.270 3.238 2.905 3.468     .  0 0 "[    .    1    .    2]" 1 
       858 1 68 TYR HA   1 69 ARG H   3.430 . 3.770 2.360 2.229 2.558     .  0 0 "[    .    1    .    2]" 1 
       859 1 68 TYR QB   1 69 ARG H   3.380 . 3.720 2.534 2.175 2.907     .  0 0 "[    .    1    .    2]" 1 
       860 1 68 TYR HB2  1 69 ARG H   4.120 . 4.530 2.577 2.193 2.997     .  0 0 "[    .    1    .    2]" 1 
       861 1 68 TYR HB3  1 69 ARG H   4.120 . 4.530 3.777 3.590 3.998     .  0 0 "[    .    1    .    2]" 1 
       862 1 68 TYR QD   1 69 ARG H   4.510 . 4.960 3.689 3.178 4.290     .  0 0 "[    .    1    .    2]" 1 
       863 1 68 TYR QE   1 72 CYS HA  3.650 . 4.020 2.673 1.901 3.828     .  0 0 "[    .    1    .    2]" 1 
       864 1 68 TYR QE   1 73 ARG H   3.870 . 4.260 2.566 1.512 3.965     .  0 0 "[    .    1    .    2]" 1 
       865 1 68 TYR QE   1 73 ARG QB  5.340 . 5.870 4.117 2.883 5.392     .  0 0 "[    .    1    .    2]" 1 
       866 1 68 TYR QE   1 73 ARG QG  4.810 . 5.290 3.162 1.929 4.382     .  0 0 "[    .    1    .    2]" 1 
       867 1 69 ARG H    1 69 ARG HB2 3.810 . 4.190 2.408 2.308 2.537     .  0 0 "[    .    1    .    2]" 1 
       868 1 69 ARG H    1 69 ARG QB  3.210 . 3.530 2.374 2.281 2.491     .  0 0 "[    .    1    .    2]" 1 
       869 1 69 ARG H    1 69 ARG HB3 3.810 . 4.190 3.611 3.574 3.679     .  0 0 "[    .    1    .    2]" 1 
       870 1 69 ARG H    1 69 ARG HG2 4.330 . 4.760 3.735 2.301 4.233     .  0 0 "[    .    1    .    2]" 1 
       871 1 69 ARG H    1 69 ARG QG  3.610 . 3.970 2.699 2.246 3.645     .  0 0 "[    .    1    .    2]" 1 
       872 1 69 ARG H    1 69 ARG HG3 4.330 . 4.760 2.876 2.266 3.987     .  0 0 "[    .    1    .    2]" 1 
       873 1 69 ARG HA   1 69 ARG HD2 5.320 . 5.850 4.332 2.707 4.873     .  0 0 "[    .    1    .    2]" 1 
       874 1 69 ARG HA   1 69 ARG QD  4.510 . 4.960 3.690 2.098 4.231     .  0 0 "[    .    1    .    2]" 1 
       875 1 69 ARG HA   1 69 ARG HD3 5.320 . 5.850 4.126 2.143 4.899     .  0 0 "[    .    1    .    2]" 1 
       876 1 69 ARG HA   1 69 ARG HG2 4.180 . 4.600 2.799 2.388 3.692     .  0 0 "[    .    1    .    2]" 1 
       877 1 69 ARG HA   1 69 ARG QG  3.580 . 3.940 2.433 2.298 3.020     .  0 0 "[    .    1    .    2]" 1 
       878 1 69 ARG HA   1 69 ARG HG3 4.180 . 4.600 2.908 2.391 3.805     .  0 0 "[    .    1    .    2]" 1 
       879 1 69 ARG HA   1 70 GLY H   3.130 . 3.440 2.227 2.120 2.458     .  0 0 "[    .    1    .    2]" 1 
       880 1 69 ARG QB   1 69 ARG QD  3.310 . 3.640 2.293 2.120 2.798     .  0 0 "[    .    1    .    2]" 1 
       881 1 69 ARG QB   1 70 GLY H   3.690 . 4.060 3.008 2.241 3.610     .  0 0 "[    .    1    .    2]" 1 
       882 1 69 ARG QG   1 70 GLY H   4.360 . 4.800 3.975 3.584 4.282     .  0 0 "[    .    1    .    2]" 1 
       883 1 69 ARG HG2  1 70 GLY H   5.120 . 5.630 4.410 3.745 5.544     .  0 0 "[    .    1    .    2]" 1 
       884 1 69 ARG HG3  1 70 GLY H   5.120 . 5.630 4.740 3.712 5.133     .  0 0 "[    .    1    .    2]" 1 
       885 1 70 GLY H    1 71 ARG H   4.460 . 4.910 4.223 2.326 4.642     .  0 0 "[    .    1    .    2]" 1 
       886 1 70 GLY HA2  1 71 ARG H   3.370 . 3.710 2.596 2.238 2.871     .  0 0 "[    .    1    .    2]" 1 
       887 1 70 GLY HA3  1 71 ARG H   3.370 . 3.710 2.696 2.290 3.567     .  0 0 "[    .    1    .    2]" 1 
       888 1 71 ARG H    1 71 ARG QB  3.510 . 3.860 2.488 2.232 3.329     .  0 0 "[    .    1    .    2]" 1 
       889 1 71 ARG H    1 71 ARG HD2 5.500 . 6.050 4.602 3.628 6.059 0.009 11 0 "[    .    1    .    2]" 1 
       890 1 71 ARG H    1 71 ARG QD  4.790 . 5.270 4.062 3.260 4.950     .  0 0 "[    .    1    .    2]" 1 
       891 1 71 ARG H    1 71 ARG HD3 5.500 . 6.050 4.660 3.367 5.259     .  0 0 "[    .    1    .    2]" 1 
       892 1 71 ARG H    1 71 ARG HG2 4.880 . 5.370 3.517 1.920 4.540     .  0 0 "[    .    1    .    2]" 1 
       893 1 71 ARG H    1 71 ARG QG  4.190 . 4.610 2.838 1.902 4.013     .  0 0 "[    .    1    .    2]" 1 
       894 1 71 ARG H    1 71 ARG HG3 4.880 . 5.370 3.290 2.065 4.967     .  0 0 "[    .    1    .    2]" 1 
       895 1 71 ARG HA   1 71 ARG QD  4.290 . 4.720 4.009 2.068 4.528     .  0 0 "[    .    1    .    2]" 1 
       896 1 71 ARG HA   1 72 CYS H   3.130 . 3.440 2.301 2.167 2.639     .  0 0 "[    .    1    .    2]" 1 
       897 1 71 ARG HA   1 72 CYS HA  4.400 . 4.840 4.333 4.241 4.567     .  0 0 "[    .    1    .    2]" 1 
       898 1 71 ARG QB   1 71 ARG QD  3.330 . 3.660 2.272 2.119 2.856     .  0 0 "[    .    1    .    2]" 1 
       899 1 71 ARG QB   1 72 CYS H   3.950 . 4.350 2.970 2.046 4.048     .  0 0 "[    .    1    .    2]" 1 
       900 1 71 ARG HB2  1 72 CYS H   4.520 . 4.970 3.753 2.057 4.612     .  0 0 "[    .    1    .    2]" 1 
       901 1 71 ARG HB3  1 72 CYS H   4.520 . 4.970 3.359 2.226 4.482     .  0 0 "[    .    1    .    2]" 1 
       902 1 71 ARG QG   1 72 CYS H   4.540 . 4.990 3.637 2.116 4.528     .  0 0 "[    .    1    .    2]" 1 
       903 1 71 ARG HG2  1 72 CYS H   5.320 . 5.850 4.011 2.192 5.033     .  0 0 "[    .    1    .    2]" 1 
       904 1 71 ARG HG3  1 72 CYS H   5.320 . 5.850 4.349 2.444 5.271     .  0 0 "[    .    1    .    2]" 1 
       905 1 72 CYS H    1 72 CYS HB2 4.100 . 4.510 2.496 2.288 3.297     .  0 0 "[    .    1    .    2]" 1 
       906 1 72 CYS H    1 72 CYS QB  3.450 . 3.790 2.431 2.200 3.141     .  0 0 "[    .    1    .    2]" 1 
       907 1 72 CYS H    1 72 CYS HB3 4.100 . 4.510 3.465 2.765 3.951     .  0 0 "[    .    1    .    2]" 1 
       908 1 72 CYS H    1 73 ARG H   4.870 . 5.360 4.260 3.712 4.662     .  0 0 "[    .    1    .    2]" 1 
       909 1 72 CYS HA   1 73 ARG H   3.080 . 3.390 2.184 2.089 2.296     .  0 0 "[    .    1    .    2]" 1 
       910 1 72 CYS HA   1 73 ARG HA  4.540 . 4.990 4.424 4.386 4.494     .  0 0 "[    .    1    .    2]" 1 
       911 1 72 CYS HA   1 73 ARG QG  4.390 . 4.830 3.869 3.221 4.379     .  0 0 "[    .    1    .    2]" 1 
       912 1 72 CYS HA   1 74 LYS H   5.500 . 6.050 5.836 5.296 6.133 0.083  5 0 "[    .    1    .    2]" 1 
       913 1 72 CYS QB   1 73 ARG H   4.230 . 4.650 3.665 3.399 4.007     .  0 0 "[    .    1    .    2]" 1 
       914 1 72 CYS QB   1 74 LYS H   5.340 . 5.870 5.237 4.554 5.783     .  0 0 "[    .    1    .    2]" 1 
       915 1 73 ARG H    1 73 ARG HB2 4.080 . 4.490 3.113 2.394 3.748     .  0 0 "[    .    1    .    2]" 1 
       916 1 73 ARG H    1 73 ARG QB  3.430 . 3.770 2.695 2.362 3.058     .  0 0 "[    .    1    .    2]" 1 
       917 1 73 ARG H    1 73 ARG HB3 4.080 . 4.490 3.364 2.712 3.778     .  0 0 "[    .    1    .    2]" 1 
       918 1 73 ARG H    1 73 ARG HD2 5.500 . 6.050 4.566 4.021 5.320     .  0 0 "[    .    1    .    2]" 1 
       919 1 73 ARG H    1 73 ARG HD3 5.500 . 6.050 4.418 3.706 5.261     .  0 0 "[    .    1    .    2]" 1 
       920 1 73 ARG H    1 73 ARG HG2 4.110 . 4.520 2.684 1.830 4.259     .  0 0 "[    .    1    .    2]" 1 
       921 1 73 ARG H    1 73 ARG QG  3.540 . 3.890 2.342 1.817 3.002     .  0 0 "[    .    1    .    2]" 1 
       922 1 73 ARG H    1 73 ARG HG3 4.110 . 4.520 3.133 2.278 4.237     .  0 0 "[    .    1    .    2]" 1 
       923 1 73 ARG H    1 74 LYS H   4.400 . 4.840 4.392 4.134 4.587     .  0 0 "[    .    1    .    2]" 1 
       924 1 73 ARG HA   1 73 ARG HD2 5.500 . 6.050 4.278 2.066 5.557     .  0 0 "[    .    1    .    2]" 1 
       925 1 73 ARG HA   1 73 ARG QD  4.830 . 5.310 3.766 2.024 4.572     .  0 0 "[    .    1    .    2]" 1 
       926 1 73 ARG HA   1 73 ARG HD3 5.500 . 6.050 4.422 2.054 5.559     .  0 0 "[    .    1    .    2]" 1 
       927 1 73 ARG HA   1 73 ARG HG2 3.970 . 4.370 3.290 2.523 3.802     .  0 0 "[    .    1    .    2]" 1 
       928 1 73 ARG HA   1 73 ARG QG  3.470 . 3.820 3.027 2.400 3.361     .  0 0 "[    .    1    .    2]" 1 
       929 1 73 ARG HA   1 73 ARG HG3 3.970 . 4.370 3.595 2.804 3.853     .  0 0 "[    .    1    .    2]" 1 
       930 1 73 ARG HA   1 74 LYS H   3.020 . 3.320 2.186 2.145 2.271     .  0 0 "[    .    1    .    2]" 1 
       931 1 73 ARG QB   1 74 LYS H   3.980 . 4.380 3.219 2.840 3.627     .  0 0 "[    .    1    .    2]" 1 
       932 1 74 LYS H    1 74 LYS HB2 3.900 . 4.290 3.193 2.450 4.011     .  0 0 "[    .    1    .    2]" 1 
       933 1 74 LYS H    1 74 LYS QB  3.280 . 3.610 2.736 2.365 3.351     .  0 0 "[    .    1    .    2]" 1 
       934 1 74 LYS H    1 74 LYS HB3 3.900 . 4.290 3.121 2.528 4.008     .  0 0 "[    .    1    .    2]" 1 
       935 1 74 LYS H    1 74 LYS HG2 5.240 . 5.760 3.729 2.095 4.976     .  0 0 "[    .    1    .    2]" 1 
       936 1 74 LYS H    1 74 LYS QG  4.500 . 4.950 3.379 2.048 4.197     .  0 0 "[    .    1    .    2]" 1 
       937 1 74 LYS H    1 74 LYS HG3 5.240 . 5.760 4.032 2.365 4.841     .  0 0 "[    .    1    .    2]" 1 
    stop_

save_



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