NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing in_recoord stage program type subtype subsubtype
392664 1q2n 5656 cing recoord 4-filtered-FRED Wattos check violation distance


data_1q2n


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              608
    _Distance_constraint_stats_list.Viol_count                    1204
    _Distance_constraint_stats_list.Viol_total                    465.274
    _Distance_constraint_stats_list.Viol_max                      0.295
    _Distance_constraint_stats_list.Viol_rms                      0.0230
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0077
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0386
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       
;
Description of the tags in this list:
*  1 * Administrative tag
*  2 * Administrative tag
*  3 * Administrative tag
*  4 * ID of the restraint list.                                                              
*  5 * Number of restraints in list.                                                          
*  6 * Number of violated restraints (each model violation is used).                          
*  7 * Sum of violations in Angstrom.                                                         
*  8 * Maximum violation of a restraint without averaging in any way.                         
*  9 * Rms of violations over all restraints.                                                 
*  10 * Average violation over all restraints.                                                 
*  11 * Average violation over violated restraints.                                            
           This violation is averaged over only those models in which the restraint is violated.   
           These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).     
*  12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
*  13 * This tag                                                                               

Description of the tags in the per residue table below:
*  1 * Chain identifier (can be absent if none defined)                   
*  2 * Residue number                                                     
*  3 * Residue name                                                       
*  4 * Maximum violation in ensemble of models (without any averaging)
*  5 * Model number with the maximum violation
*  6 * Number of models with a violation above cutoff
*  7 * List of models (1 character per model) with a violation above cutoff.
           An '*' marks a violation above the cutoff. A '+' indicates the largest
           violation above the cutoff and a '-' marks the smallest violation over cutoff.
           For models  5, 15, 25,... a ' ' is replaced by a '.'.
           For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
*  8 * Administrative tag
*  9 * Administrative tag

Description of the tags in the per restraint table below:
*  1 * Restraint ID within restraint list.                                
           First node, FIRST member, first atom's:                              
*  2 * Chain identifier (can be absent if none defined)                   
*  3 * Residue number                                                     
*  4 * Residue name                                                       
*  5 * Name of (pseudo-)atom                                              
           First node, SECOND member, first atom's:                             
*  6 * Chain identifier (can be absent if none defined)                   
*  7 * Residue number                                                     
*  8 * Residue name                                                       
*  9 * Name of (pseudo-)atom                                              
           FIRST node's:
*  10 * Target distance value (Angstrom)
*  11 * Lower bound distance (Angstrom)
*  12 * Upper bound distance (Angstrom)
*  13 * Average distance in ensemble of models
*  14 * Minimum distance in ensemble of models
*  15 * Maximum distance in ensemble of models
*  16 * Maximum violation (without any averaging)
*  17 * Model number with the maximum violation
*  18 * Number of models with a violation above cutoff
*  19 * List of models with a violation above cutoff. See description above.
*  20 * Administrative tag
*  21 * Administrative tag
;


    loop_
       _Distance_constraint_stats_per_res.Atom_entity_assembly_ID
       _Distance_constraint_stats_per_res.Atom_comp_index_ID
       _Distance_constraint_stats_per_res.Atom_comp_ID
       _Distance_constraint_stats_per_res.Total_violation
       _Distance_constraint_stats_per_res.Max_violation
       _Distance_constraint_stats_per_res.Max_violation_model_number
       _Distance_constraint_stats_per_res.Over_cutoff_viol_count
       _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model

       1  1 VAL 0.042 0.031  1 0 "[    .    1]" 
       1  2 ASP 0.466 0.107  3 0 "[    .    1]" 
       1  3 ASN 0.100 0.053  6 0 "[    .    1]" 
       1  4 LYS 0.230 0.053  6 0 "[    .    1]" 
       1  5 PHE 1.018 0.089  6 0 "[    .    1]" 
       1  6 ASN 0.000 0.000  . 0 "[    .    1]" 
       1  7 LYS 0.483 0.082  4 0 "[    .    1]" 
       1  8 GLU 0.194 0.036 10 0 "[    .    1]" 
       1  9 GLN 1.773 0.115  7 0 "[    .    1]" 
       1 10 GLN 2.691 0.095  3 0 "[    .    1]" 
       1 11 ASN 1.484 0.156  5 0 "[    .    1]" 
       1 12 ALA 0.505 0.071  5 0 "[    .    1]" 
       1 13 PHE 4.483 0.134 10 0 "[    .    1]" 
       1 14 TYR 3.019 0.134 10 0 "[    .    1]" 
       1 15 GLU 0.536 0.051  8 0 "[    .    1]" 
       1 16 ILE 1.223 0.049  2 0 "[    .    1]" 
       1 17 LEU 0.486 0.039  8 0 "[    .    1]" 
       1 18 HIS 0.981 0.070  6 0 "[    .    1]" 
       1 19 LEU 2.265 0.133  9 0 "[    .    1]" 
       1 20 PRO 0.000 0.000  . 0 "[    .    1]" 
       1 21 ASN 1.570 0.091 10 0 "[    .    1]" 
       1 22 LEU 1.919 0.153  2 0 "[    .    1]" 
       1 23 ASN 0.920 0.078  8 0 "[    .    1]" 
       1 24 GLU 0.973 0.072  9 0 "[    .    1]" 
       1 25 GLU 0.860 0.051  6 0 "[    .    1]" 
       1 26 GLN 0.889 0.060  8 0 "[    .    1]" 
       1 27 ARG 0.988 0.076  5 0 "[    .    1]" 
       1 28 ASN 0.709 0.152  7 0 "[    .    1]" 
       1 29 ALA 1.043 0.152  7 0 "[    .    1]" 
       1 30 PHE 1.874 0.134  7 0 "[    .    1]" 
       1 31 ILE 1.650 0.134  7 0 "[    .    1]" 
       1 32 GLN 0.461 0.032  8 0 "[    .    1]" 
       1 33 SER 0.762 0.063 10 0 "[    .    1]" 
       1 34 LEU 0.872 0.078  8 0 "[    .    1]" 
       1 35 LYS 1.116 0.065 10 0 "[    .    1]" 
       1 36 ASP 0.551 0.063 10 0 "[    .    1]" 
       1 37 ASP 0.559 0.153  8 0 "[    .    1]" 
       1 38 PRO 0.053 0.053 10 0 "[    .    1]" 
       1 39 SER 0.304 0.061  3 0 "[    .    1]" 
       1 40 GLN 0.231 0.061  3 0 "[    .    1]" 
       1 41 SER 0.449 0.040  3 0 "[    .    1]" 
       1 42 ALA 0.360 0.042  3 0 "[    .    1]" 
       1 43 ASN 0.626 0.062  7 0 "[    .    1]" 
       1 44 LEU 0.919 0.092 10 0 "[    .    1]" 
       1 45 LEU 4.498 0.143  4 0 "[    .    1]" 
       1 46 ALA 3.350 0.143  4 0 "[    .    1]" 
       1 47 GLU 3.176 0.133 10 0 "[    .    1]" 
       1 48 ALA 1.087 0.067  5 0 "[    .    1]" 
       1 49 LYS 2.503 0.066 10 0 "[    .    1]" 
       1 50 LYS 2.228 0.098  5 0 "[    .    1]" 
       1 51 LEU 1.116 0.098  5 0 "[    .    1]" 
       1 52 ASN 6.078 0.295  8 0 "[    .    1]" 
       1 53 ASP 1.791 0.087  3 0 "[    .    1]" 
       1 54 ALA 0.798 0.085  4 0 "[    .    1]" 
       1 55 GLN 1.279 0.125  4 0 "[    .    1]" 
       1 56 ALA 0.034 0.009  2 0 "[    .    1]" 
       1 57 PRO 0.097 0.024  6 0 "[    .    1]" 
       1 58 LYS 0.053 0.018  3 0 "[    .    1]" 
    stop_

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

         1 1  1 VAL HA   1  2 ASP H    3.600     . 3.600 3.284 2.151 3.580     .  0 0 "[    .    1]" 1 
         2 1  1 VAL HB   1  2 ASP H    3.200     . 3.200 2.690 2.040 3.231 0.031  1 0 "[    .    1]" 1 
         3 1  1 VAL QG   1  2 ASP H    4.700     . 4.700 2.839 1.873 3.507     .  0 0 "[    .    1]" 1 
         4 1  2 ASP H    1  2 ASP HA   2.800     . 2.800 2.829 2.775 2.907 0.107  3 0 "[    .    1]" 1 
         5 1  2 ASP H    1  2 ASP QB   3.600     . 3.600 2.407 2.139 2.802     .  0 0 "[    .    1]" 1 
         6 1  2 ASP HA   1  2 ASP QB   2.400     . 2.400 2.342 2.185 2.484 0.084  4 0 "[    .    1]" 1 
         7 1  2 ASP HA   1  3 ASN H    3.600     . 3.600 3.104 2.231 3.520     .  0 0 "[    .    1]" 1 
         8 1  2 ASP QB   1  3 ASN H    2.900     . 2.900 2.567 1.905 2.908 0.008  7 0 "[    .    1]" 1 
         9 1  3 ASN H    1  3 ASN QB   3.200     . 3.200 2.580 2.064 2.881     .  0 0 "[    .    1]" 1 
        10 1  3 ASN HA   1  3 ASN QB   2.700     . 2.700 2.353 2.181 2.540     .  0 0 "[    .    1]" 1 
        11 1  3 ASN HA   1  4 LYS H    3.300     . 3.300 2.847 2.315 3.353 0.053  6 0 "[    .    1]" 1 
        12 1  3 ASN QB   1  3 ASN HD22 3.300     . 3.300 3.249 3.215 3.314 0.014  9 0 "[    .    1]" 1 
        13 1  3 ASN QB   1  4 LYS H    4.000     . 4.000 2.946 1.844 3.984     .  0 0 "[    .    1]" 1 
        14 1  4 LYS H    1  4 LYS HA   2.900     . 2.900 2.891 2.751 2.927 0.027  6 0 "[    .    1]" 1 
        15 1  4 LYS H    1  4 LYS QD   4.900     . 4.900 3.826 2.466 4.619     .  0 0 "[    .    1]" 1 
        16 1  4 LYS H    1  4 LYS QG   4.400     . 4.400 3.481 2.015 4.153     .  0 0 "[    .    1]" 1 
        17 1  4 LYS H    1  5 PHE H    4.500     . 4.500 3.520 2.245 4.436     .  0 0 "[    .    1]" 1 
        18 1  4 LYS HA   1  4 LYS QG   2.700     . 2.700 2.365 2.035 2.615     .  0 0 "[    .    1]" 1 
        19 1  4 LYS QD   1  5 PHE H    4.500     . 4.500 4.157 2.341 4.507 0.007  3 0 "[    .    1]" 1 
        20 1  4 LYS QE   1  4 LYS QG   3.100     . 3.100 2.119 1.933 2.310     .  0 0 "[    .    1]" 1 
        21 1  5 PHE H    1  5 PHE QB   2.470     . 2.470 2.431 2.220 2.559 0.089  6 0 "[    .    1]" 1 
        22 1  5 PHE H    1  5 PHE QD   3.500     . 3.500 2.711 1.937 3.511 0.011  1 0 "[    .    1]" 1 
        23 1  5 PHE HA   1  5 PHE QB   2.580     . 2.580 2.384 2.294 2.486     .  0 0 "[    .    1]" 1 
        24 1  5 PHE HA   1  5 PHE QD   2.800     . 2.800 2.646 1.950 2.873 0.073  2 0 "[    .    1]" 1 
        25 1  5 PHE HA   1  6 ASN H    3.100     . 3.100 2.676 2.454 2.809     .  0 0 "[    .    1]" 1 
        26 1  5 PHE QB   1  5 PHE QD   2.620     . 2.620 2.157 2.123 2.238     .  0 0 "[    .    1]" 1 
        27 1  5 PHE QB   1 10 GLN H    6.170     . 6.170 4.122 3.492 4.679     .  0 0 "[    .    1]" 1 
        28 1  5 PHE QB   1 10 GLN QB   7.190     . 7.190 4.525 3.791 5.302     .  0 0 "[    .    1]" 1 
        29 1  5 PHE QB   1 10 GLN QG   5.620     . 5.620 2.839 1.968 3.449     .  0 0 "[    .    1]" 1 
        30 1  5 PHE QD   1 35 LYS HA   4.000     . 4.000 4.038 4.011 4.063 0.063  9 0 "[    .    1]" 1 
        31 1  5 PHE QE   1 34 LEU QB   6.400     . 6.400 4.817 2.922 6.044     .  0 0 "[    .    1]" 1 
        32 1  5 PHE QE   1 35 LYS H    5.000     . 5.000 4.448 3.370 5.040 0.040  8 0 "[    .    1]" 1 
        33 1  5 PHE QE   1 35 LYS HA   2.700     . 2.700 2.165 1.857 2.462     .  0 0 "[    .    1]" 1 
        34 1  5 PHE HZ   1 35 LYS HA   2.800     . 2.800 2.535 2.111 2.816 0.016  4 0 "[    .    1]" 1 
        35 1  6 ASN H    1  6 ASN QB   3.370     . 3.370 2.612 2.199 3.232     .  0 0 "[    .    1]" 1 
        36 1  6 ASN H    1  9 GLN HB2  4.000     . 4.000 3.338 2.436 3.917     .  0 0 "[    .    1]" 1 
        37 1  6 ASN QB   1  6 ASN HD21 3.030     . 3.030 2.206 2.087 2.423     .  0 0 "[    .    1]" 1 
        38 1  6 ASN QB   1  6 ASN HD22 3.700     . 3.700 3.263 3.215 3.363     .  0 0 "[    .    1]" 1 
        39 1  6 ASN QB   1  7 LYS H    4.380     . 4.380 2.244 1.919 2.652     .  0 0 "[    .    1]" 1 
        40 1  7 LYS H    1  7 LYS HA   2.900     . 2.900 2.796 2.742 2.895     .  0 0 "[    .    1]" 1 
        41 1  7 LYS H    1  7 LYS QB   2.600     . 2.600 2.614 2.569 2.638 0.038 10 0 "[    .    1]" 1 
        42 1  7 LYS H    1  7 LYS QG   2.700     . 2.700 2.161 1.937 2.697     .  0 0 "[    .    1]" 1 
        43 1  7 LYS HA   1  7 LYS QB   2.200     . 2.200 2.202 2.167 2.282 0.082  4 0 "[    .    1]" 1 
        44 1  7 LYS HA   1  7 LYS QD   4.700     . 4.700 3.938 3.517 4.378     .  0 0 "[    .    1]" 1 
        45 1  7 LYS HA   1  7 LYS QG   3.700     . 3.700 3.115 2.516 3.435     .  0 0 "[    .    1]" 1 
        46 1  7 LYS QB   1  8 GLU H    3.400     . 3.400 2.940 1.934 3.419 0.019 10 0 "[    .    1]" 1 
        47 1  7 LYS QB   1  9 GLN H    5.270     . 5.270 4.822 4.176 5.293 0.023 10 0 "[    .    1]" 1 
        48 1  7 LYS QE   1  7 LYS QG   3.100     . 3.100 2.164 1.959 2.399     .  0 0 "[    .    1]" 1 
        49 1  8 GLU H    1  8 GLU HA   2.800     . 2.800 2.767 2.738 2.795     .  0 0 "[    .    1]" 1 
        50 1  8 GLU H    1  8 GLU QB   3.000     . 3.000 2.585 2.431 2.684     .  0 0 "[    .    1]" 1 
        51 1  8 GLU H    1  8 GLU QG   3.400     . 3.400 2.132 1.947 2.349     .  0 0 "[    .    1]" 1 
        52 1  8 GLU H    1  9 GLN H    2.900     . 2.900 2.811 2.707 2.900 0.000  2 0 "[    .    1]" 1 
        53 1  8 GLU HA   1  8 GLU QB   2.300     . 2.300 2.272 2.180 2.336 0.036 10 0 "[    .    1]" 1 
        54 1  8 GLU HA   1  9 GLN H    3.600     . 3.600 3.512 3.467 3.555     .  0 0 "[    .    1]" 1 
        55 1  8 GLU HA   1 11 ASN H    3.700     . 3.700 3.583 3.431 3.711 0.011 10 0 "[    .    1]" 1 
        56 1  8 GLU HA   1 11 ASN QB   4.380     . 4.380 3.009 2.524 4.185     .  0 0 "[    .    1]" 1 
        57 1  8 GLU HA   1 12 ALA H    4.200     . 4.200 4.119 3.850 4.221 0.021  5 0 "[    .    1]" 1 
        58 1  9 GLN H    1  9 GLN HA   2.800     . 2.800 2.856 2.800 2.887 0.087  8 0 "[    .    1]" 1 
        59 1  9 GLN H    1  9 GLN HB2  3.600     . 3.600 2.584 2.230 2.868     .  0 0 "[    .    1]" 1 
        60 1  9 GLN H    1 10 GLN H    3.500     . 3.500 2.454 2.268 2.697     .  0 0 "[    .    1]" 1 
        61 1  9 GLN HA   1  9 GLN HB2  2.600     . 2.600 2.478 2.366 2.636 0.036  6 0 "[    .    1]" 1 
        62 1  9 GLN HA   1 12 ALA MB   4.000     . 4.000 2.693 2.585 2.809     .  0 0 "[    .    1]" 1 
        63 1  9 GLN HA   1 13 PHE H    4.300     . 4.300 3.964 3.801 4.080     .  0 0 "[    .    1]" 1 
        64 1  9 GLN HB2  1  9 GLN QG   2.700     . 2.700 2.301 2.134 2.515     .  0 0 "[    .    1]" 1 
        65 1  9 GLN HB2  1 10 GLN H    4.300     . 4.300 3.969 3.652 4.135     .  0 0 "[    .    1]" 1 
        66 1  9 GLN HB3  1  9 GLN HE21 4.600     . 4.600 4.178 3.759 4.579     .  0 0 "[    .    1]" 1 
        67 1  9 GLN HB3  1 10 GLN H    3.200     . 3.200 2.862 2.744 3.013     .  0 0 "[    .    1]" 1 
        68 1  9 GLN HE22 1  9 GLN QG   3.100     . 3.100 3.197 3.190 3.215 0.115  7 0 "[    .    1]" 1 
        69 1  9 GLN QG   1 10 GLN H    4.800     . 4.800 4.092 3.626 4.511     .  0 0 "[    .    1]" 1 
        70 1  9 GLN O    1 13 PHE H    2.000     . 2.000 2.017 2.009 2.030 0.030  9 0 "[    .    1]" 1 
        71 1  9 GLN O    1 13 PHE N    3.000 2.700 3.000 2.839 2.804 2.891     .  0 0 "[    .    1]" 1 
        72 1 10 GLN H    1 10 GLN HA   2.800     . 2.800 2.874 2.870 2.882 0.082 10 0 "[    .    1]" 1 
        73 1 10 GLN H    1 10 GLN QG   3.000     . 3.000 2.792 2.417 3.002 0.002  2 0 "[    .    1]" 1 
        74 1 10 GLN H    1 11 ASN H    2.700     . 2.700 2.412 2.380 2.457     .  0 0 "[    .    1]" 1 
        75 1 10 GLN HA   1 10 GLN QG   3.500     . 3.500 2.341 2.126 2.556     .  0 0 "[    .    1]" 1 
        76 1 10 GLN HA   1 13 PHE H    3.000     . 3.000 3.044 3.031 3.069 0.069 10 0 "[    .    1]" 1 
        77 1 10 GLN HA   1 13 PHE HB2  3.900     . 3.900 2.495 2.349 2.761     .  0 0 "[    .    1]" 1 
        78 1 10 GLN HA   1 14 TYR H    3.800     . 3.800 3.738 3.466 3.816 0.016  7 0 "[    .    1]" 1 
        79 1 10 GLN HE22 1 10 GLN QG   3.100     . 3.100 3.194 3.193 3.195 0.095  3 0 "[    .    1]" 1 
        80 1 10 GLN QG   1 11 ASN H    4.800     . 4.800 4.416 4.227 4.507     .  0 0 "[    .    1]" 1 
        81 1 10 GLN QG   1 14 TYR QD   5.900     . 5.900 5.261 4.986 5.672     .  0 0 "[    .    1]" 1 
        82 1 10 GLN O    1 14 TYR H    2.000     . 2.000 2.051 2.028 2.071 0.071 10 0 "[    .    1]" 1 
        83 1 10 GLN O    1 14 TYR N    3.000 2.700 3.000 2.989 2.959 3.002 0.002  8 0 "[    .    1]" 1 
        84 1 11 ASN H    1 11 ASN HA   2.900     . 2.900 2.890 2.878 2.903 0.003 10 0 "[    .    1]" 1 
        85 1 11 ASN H    1 11 ASN QB   2.900     . 2.900 2.300 2.133 2.915 0.015  5 0 "[    .    1]" 1 
        86 1 11 ASN H    1 12 ALA H    2.900     . 2.900 2.300 2.222 2.385     .  0 0 "[    .    1]" 1 
        87 1 11 ASN HA   1 11 ASN QB   2.800     . 2.800 2.454 2.183 2.548     .  0 0 "[    .    1]" 1 
        88 1 11 ASN HA   1 14 TYR QB   3.800     . 3.800 2.881 2.762 3.113     .  0 0 "[    .    1]" 1 
        89 1 11 ASN QB   1 11 ASN HD22 3.100     . 3.100 3.198 3.190 3.256 0.156  5 0 "[    .    1]" 1 
        90 1 11 ASN QB   1 12 ALA H    3.000     . 3.000 2.679 2.518 3.071 0.071  5 0 "[    .    1]" 1 
        91 1 11 ASN QB   1 12 ALA MB   5.000     . 5.000 3.842 3.718 4.194     .  0 0 "[    .    1]" 1 
        92 1 11 ASN O    1 15 GLU H    2.000     . 2.000 2.040 2.022 2.051 0.051  8 0 "[    .    1]" 1 
        93 1 11 ASN O    1 15 GLU N    3.000 2.700 3.000 2.944 2.901 2.975     .  0 0 "[    .    1]" 1 
        94 1 12 ALA H    1 12 ALA MB   2.600     . 2.600 2.208 2.107 2.258     .  0 0 "[    .    1]" 1 
        95 1 12 ALA H    1 13 PHE H    2.800     . 2.800 2.479 2.425 2.630     .  0 0 "[    .    1]" 1 
        96 1 12 ALA HA   1 12 ALA MB   2.500     . 2.500 2.128 2.106 2.135     .  0 0 "[    .    1]" 1 
        97 1 12 ALA HA   1 13 PHE H    3.500     . 3.500 3.520 3.513 3.538 0.038  5 0 "[    .    1]" 1 
        98 1 12 ALA HA   1 15 GLU H    3.800     . 3.800 3.358 3.290 3.489     .  0 0 "[    .    1]" 1 
        99 1 12 ALA HA   1 15 GLU QB   4.150     . 4.150 2.243 2.141 2.514     .  0 0 "[    .    1]" 1 
       100 1 12 ALA HA   1 45 LEU QD   3.400     . 3.400 1.805 1.779 1.869 0.021  1 0 "[    .    1]" 1 
       101 1 12 ALA MB   1 13 PHE H    2.700     . 2.700 2.591 2.515 2.676     .  0 0 "[    .    1]" 1 
       102 1 12 ALA MB   1 45 LEU HB2  5.000     . 5.000 2.797 2.599 3.265     .  0 0 "[    .    1]" 1 
       103 1 12 ALA O    1 16 ILE H    2.000     . 2.000 2.007 1.985 2.020 0.020  6 0 "[    .    1]" 1 
       104 1 12 ALA O    1 16 ILE N    3.000 2.700 3.000 2.848 2.777 2.915     .  0 0 "[    .    1]" 1 
       105 1 13 PHE H    1 13 PHE HA   2.800     . 2.800 2.784 2.777 2.806 0.006 10 0 "[    .    1]" 1 
       106 1 13 PHE H    1 13 PHE HB2  3.000     . 3.000 2.319 2.288 2.367     .  0 0 "[    .    1]" 1 
       107 1 13 PHE H    1 13 PHE HB3  3.000     . 3.000 2.719 2.688 2.752     .  0 0 "[    .    1]" 1 
       108 1 13 PHE H    1 13 PHE QD   4.000     . 4.000 4.088 4.069 4.102 0.102 10 0 "[    .    1]" 1 
       109 1 13 PHE H    1 14 TYR QB   5.300     . 5.300 4.546 4.402 4.845     .  0 0 "[    .    1]" 1 
       110 1 13 PHE HA   1 13 PHE HB2  3.000     . 3.000 2.548 2.533 2.563     .  0 0 "[    .    1]" 1 
       111 1 13 PHE HA   1 13 PHE HB3  3.000     . 3.000 3.003 3.000 3.006 0.006  3 0 "[    .    1]" 1 
       112 1 13 PHE HA   1 13 PHE QD   3.100     . 3.100 3.047 2.992 3.071     .  0 0 "[    .    1]" 1 
       113 1 13 PHE HA   1 13 PHE QE   4.500     . 4.500 4.552 4.546 4.562 0.062  6 0 "[    .    1]" 1 
       114 1 13 PHE HA   1 14 TYR H    3.400     . 3.400 3.530 3.522 3.534 0.134 10 0 "[    .    1]" 1 
       115 1 13 PHE HA   1 16 ILE H    3.700     . 3.700 3.450 3.402 3.490     .  0 0 "[    .    1]" 1 
       116 1 13 PHE HA   1 16 ILE HB   2.800     . 2.800 2.606 2.422 2.736     .  0 0 "[    .    1]" 1 
       117 1 13 PHE HA   1 16 ILE QG   5.500     . 5.500 4.276 3.358 4.571     .  0 0 "[    .    1]" 1 
       118 1 13 PHE HA   1 16 ILE MG   4.300     . 4.300 3.599 3.330 3.785     .  0 0 "[    .    1]" 1 
       119 1 13 PHE HA   1 17 LEU H    4.200     . 4.200 4.117 4.010 4.182     .  0 0 "[    .    1]" 1 
       120 1 13 PHE HA   1 34 LEU QD   4.800     . 4.800 3.475 2.285 4.625     .  0 0 "[    .    1]" 1 
       121 1 13 PHE HB2  1 13 PHE QD   2.800     . 2.800 2.275 2.254 2.312     .  0 0 "[    .    1]" 1 
       122 1 13 PHE HB2  1 14 TYR H    4.300     . 4.300 3.610 3.551 3.655     .  0 0 "[    .    1]" 1 
       123 1 13 PHE HB3  1 13 PHE QD   2.800     . 2.800 2.491 2.415 2.550     .  0 0 "[    .    1]" 1 
       124 1 13 PHE HB3  1 13 PHE QE   4.600     . 4.600 4.423 4.403 4.440     .  0 0 "[    .    1]" 1 
       125 1 13 PHE HB3  1 14 TYR H    4.300     . 4.300 2.369 2.303 2.415     .  0 0 "[    .    1]" 1 
       126 1 13 PHE HB3  1 34 LEU QD   5.200     . 5.200 4.421 3.571 5.209 0.009  6 0 "[    .    1]" 1 
       127 1 13 PHE QD   1 14 TYR H    3.400     . 3.400 3.451 3.442 3.464 0.064 10 0 "[    .    1]" 1 
       128 1 13 PHE QD   1 14 TYR HA   4.200     . 4.200 3.046 2.991 3.110     .  0 0 "[    .    1]" 1 
       129 1 13 PHE QD   1 14 TYR QB   5.400     . 5.400 4.535 4.424 4.644     .  0 0 "[    .    1]" 1 
       130 1 13 PHE QD   1 16 ILE MG   5.100     . 5.100 4.255 4.080 4.405     .  0 0 "[    .    1]" 1 
       131 1 13 PHE QD   1 31 ILE QG   5.720     . 5.720 4.087 3.675 4.701     .  0 0 "[    .    1]" 1 
       132 1 13 PHE QD   1 31 ILE MG   5.800     . 5.800 3.504 3.167 3.656     .  0 0 "[    .    1]" 1 
       133 1 13 PHE QD   1 34 LEU QB   4.260     . 4.260 3.978 2.971 4.279 0.019  8 0 "[    .    1]" 1 
       134 1 13 PHE QD   1 34 LEU HG   4.200     . 4.200 3.927 3.532 4.203 0.003 10 0 "[    .    1]" 1 
       135 1 13 PHE QE   1 16 ILE MG   5.100     . 5.100 4.370 4.261 4.494     .  0 0 "[    .    1]" 1 
       136 1 13 PHE QE   1 17 LEU QB   4.710     . 4.710 3.934 3.805 4.087     .  0 0 "[    .    1]" 1 
       137 1 13 PHE QE   1 31 ILE HB   6.100     . 6.100 4.517 4.341 4.722     .  0 0 "[    .    1]" 1 
       138 1 13 PHE QE   1 34 LEU QB   5.950     . 5.950 4.488 3.517 5.794     .  0 0 "[    .    1]" 1 
       139 1 13 PHE QE   1 34 LEU HG   5.600     . 5.600 5.326 4.939 5.614 0.014  9 0 "[    .    1]" 1 
       140 1 13 PHE HZ   1 16 ILE MG   5.100     . 5.100 5.129 5.113 5.146 0.046 10 0 "[    .    1]" 1 
       141 1 13 PHE HZ   1 17 LEU QD   4.000     . 4.000 3.595 3.451 3.665     .  0 0 "[    .    1]" 1 
       142 1 13 PHE HZ   1 31 ILE QG   3.930     . 3.930 3.344 3.047 3.578     .  0 0 "[    .    1]" 1 
       143 1 13 PHE HZ   1 31 ILE MG   4.500     . 4.500 2.080 1.906 2.845     .  0 0 "[    .    1]" 1 
       144 1 13 PHE O    1 17 LEU H    2.000     . 2.000 1.834 1.791 1.878 0.009  2 0 "[    .    1]" 1 
       145 1 13 PHE O    1 17 LEU N    3.000 2.700 3.000 2.744 2.702 2.779     .  0 0 "[    .    1]" 1 
       146 1 14 TYR H    1 14 TYR HA   2.900     . 2.900 2.825 2.814 2.836     .  0 0 "[    .    1]" 1 
       147 1 14 TYR H    1 14 TYR QB   2.700     . 2.700 2.214 2.082 2.570     .  0 0 "[    .    1]" 1 
       148 1 14 TYR H    1 14 TYR QD   3.000     . 3.000 2.952 2.854 3.014 0.014  1 0 "[    .    1]" 1 
       149 1 14 TYR H    1 15 GLU H    3.000     . 3.000 2.618 2.584 2.666     .  0 0 "[    .    1]" 1 
       150 1 14 TYR HA   1 14 TYR QD   2.600     . 2.600 2.459 2.060 2.606 0.006  2 0 "[    .    1]" 1 
       151 1 14 TYR HA   1 16 ILE H    4.300     . 4.300 4.122 4.044 4.258     .  0 0 "[    .    1]" 1 
       152 1 14 TYR HA   1 17 LEU H    3.800     . 3.800 3.085 3.023 3.135     .  0 0 "[    .    1]" 1 
       153 1 14 TYR HA   1 17 LEU QB   4.380     . 4.380 2.104 1.983 2.256     .  0 0 "[    .    1]" 1 
       154 1 14 TYR HA   1 18 HIS H    4.300     . 4.300 4.361 4.354 4.370 0.070  6 0 "[    .    1]" 1 
       155 1 14 TYR QB   1 14 TYR QD   2.600     . 2.600 2.172 2.137 2.244     .  0 0 "[    .    1]" 1 
       156 1 14 TYR QB   1 15 GLU H    3.500     . 3.500 2.681 2.506 2.795     .  0 0 "[    .    1]" 1 
       157 1 14 TYR QD   1 15 GLU H    5.000     . 5.000 4.529 4.270 4.634     .  0 0 "[    .    1]" 1 
       158 1 15 GLU H    1 15 GLU HA   2.800     . 2.800 2.798 2.792 2.808 0.008 10 0 "[    .    1]" 1 
       159 1 15 GLU H    1 15 GLU QB   2.690     . 2.690 2.134 2.050 2.327     .  0 0 "[    .    1]" 1 
       160 1 15 GLU H    1 16 ILE H    2.700     . 2.700 2.643 2.583 2.680     .  0 0 "[    .    1]" 1 
       161 1 15 GLU HA   1 16 ILE H    3.500     . 3.500 3.502 3.481 3.519 0.019  5 0 "[    .    1]" 1 
       162 1 15 GLU HA   1 18 HIS H    3.800     . 3.800 3.704 3.643 3.735     .  0 0 "[    .    1]" 1 
       163 1 15 GLU HA   1 18 HIS HB3  3.200     . 3.200 3.196 3.137 3.217 0.017  4 0 "[    .    1]" 1 
       164 1 15 GLU QB   1 16 ILE H    3.700     . 3.700 2.713 2.587 2.800     .  0 0 "[    .    1]" 1 
       165 1 15 GLU QB   1 45 LEU QD   6.800     . 6.800 1.949 1.801 2.126     .  0 0 "[    .    1]" 1 
       166 1 16 ILE H    1 16 ILE HA   2.800     . 2.800 2.844 2.838 2.849 0.049  2 0 "[    .    1]" 1 
       167 1 16 ILE H    1 16 ILE MD   4.600     . 4.600 3.336 2.714 4.067     .  0 0 "[    .    1]" 1 
       168 1 16 ILE H    1 16 ILE QG   3.250     . 3.250 3.095 2.763 3.258 0.008  8 0 "[    .    1]" 1 
       169 1 16 ILE H    1 16 ILE MG   4.200     . 4.200 3.508 3.477 3.564     .  0 0 "[    .    1]" 1 
       170 1 16 ILE H    1 17 LEU H    3.000     . 3.000 2.481 2.457 2.506     .  0 0 "[    .    1]" 1 
       171 1 16 ILE HA   1 16 ILE HB   3.000     . 3.000 2.949 2.939 2.970     .  0 0 "[    .    1]" 1 
       172 1 16 ILE HA   1 16 ILE MD   4.300     . 4.300 3.332 2.215 3.692     .  0 0 "[    .    1]" 1 
       173 1 16 ILE HA   1 16 ILE QG   2.470     . 2.470 2.170 2.035 2.490 0.020  9 0 "[    .    1]" 1 
       174 1 16 ILE HA   1 16 ILE MG   3.700     . 3.700 2.733 2.666 2.769     .  0 0 "[    .    1]" 1 
       175 1 16 ILE HA   1 17 LEU H    3.800     . 3.800 3.527 3.519 3.532     .  0 0 "[    .    1]" 1 
       176 1 16 ILE HA   1 19 LEU H    4.000     . 4.000 3.626 3.583 3.666     .  0 0 "[    .    1]" 1 
       177 1 16 ILE HA   1 19 LEU QD   4.200     . 4.200 1.850 1.783 2.026 0.017 10 0 "[    .    1]" 1 
       178 1 16 ILE HA   1 19 LEU HG   3.000     . 3.000 2.253 2.172 2.556     .  0 0 "[    .    1]" 1 
       179 1 16 ILE HB   1 16 ILE MD   3.700     . 3.700 2.378 2.080 3.218     .  0 0 "[    .    1]" 1 
       180 1 16 ILE HB   1 17 LEU H    2.800     . 2.800 2.821 2.744 2.839 0.039  8 0 "[    .    1]" 1 
       181 1 16 ILE QG   1 27 ARG HA   5.610     . 5.610 4.571 4.149 5.258     .  0 0 "[    .    1]" 1 
       182 1 16 ILE QG   1 31 ILE HA   5.610     . 5.610 5.308 4.527 5.630 0.020  8 0 "[    .    1]" 1 
       183 1 16 ILE MG   1 17 LEU H    3.400     . 3.400 2.798 2.685 2.939     .  0 0 "[    .    1]" 1 
       184 1 16 ILE MG   1 17 LEU HA   4.200     . 4.200 3.024 2.961 3.123     .  0 0 "[    .    1]" 1 
       185 1 16 ILE MG   1 17 LEU QD   6.000     . 6.000 3.322 3.202 3.503     .  0 0 "[    .    1]" 1 
       186 1 16 ILE MG   1 27 ARG HA   4.900     . 4.900 3.299 3.054 3.522     .  0 0 "[    .    1]" 1 
       187 1 16 ILE MG   1 31 ILE H    4.500     . 4.500 3.773 3.491 4.068     .  0 0 "[    .    1]" 1 
       188 1 17 LEU H    1 17 LEU HA   2.800     . 2.800 2.816 2.807 2.822 0.022  9 0 "[    .    1]" 1 
       189 1 17 LEU H    1 17 LEU QB   3.140     . 3.140 2.111 2.099 2.143     .  0 0 "[    .    1]" 1 
       190 1 17 LEU H    1 17 LEU QD   4.900     . 4.900 3.472 3.425 3.492     .  0 0 "[    .    1]" 1 
       191 1 17 LEU H    1 17 LEU HG   3.100     . 3.100 3.081 2.962 3.116 0.016 10 0 "[    .    1]" 1 
       192 1 17 LEU H    1 18 HIS H    3.000     . 3.000 2.632 2.616 2.647     .  0 0 "[    .    1]" 1 
       193 1 17 LEU HA   1 17 LEU QD   2.900     . 2.900 1.981 1.942 2.026     .  0 0 "[    .    1]" 1 
       194 1 17 LEU HA   1 17 LEU HG   2.900     . 2.900 2.792 2.706 2.853     .  0 0 "[    .    1]" 1 
       195 1 17 LEU HA   1 18 HIS H    3.500     . 3.500 3.416 3.403 3.430     .  0 0 "[    .    1]" 1 
       196 1 17 LEU HA   1 27 ARG QD   3.500     . 3.500 2.735 2.385 3.132     .  0 0 "[    .    1]" 1 
       197 1 17 LEU HA   1 27 ARG QG   4.700     . 4.700 3.808 3.660 3.974     .  0 0 "[    .    1]" 1 
       198 1 17 LEU QB   1 17 LEU QD   2.900     . 2.900 1.930 1.918 1.951     .  0 0 "[    .    1]" 1 
       199 1 17 LEU QB   1 18 HIS H    3.810     . 3.810 3.129 3.092 3.167     .  0 0 "[    .    1]" 1 
       200 1 17 LEU QD   1 27 ARG QD   5.000     . 5.000 2.714 1.909 3.663     .  0 0 "[    .    1]" 1 
       201 1 18 HIS H    1 18 HIS HB2  3.000     . 3.000 2.671 2.642 2.713     .  0 0 "[    .    1]" 1 
       202 1 18 HIS H    1 18 HIS HB3  3.200     . 3.200 2.624 2.528 2.716     .  0 0 "[    .    1]" 1 
       203 1 18 HIS H    1 27 ARG QD   5.300     . 5.300 5.270 5.146 5.337 0.037  6 0 "[    .    1]" 1 
       204 1 18 HIS HA   1 19 LEU H    3.500     . 3.500 3.298 3.235 3.410     .  0 0 "[    .    1]" 1 
       205 1 18 HIS HB2  1 19 LEU H    4.400     . 4.400 4.411 4.338 4.429 0.029  2 0 "[    .    1]" 1 
       206 1 18 HIS HB3  1 19 LEU H    4.600     . 4.600 3.672 3.430 3.783     .  0 0 "[    .    1]" 1 
       207 1 19 LEU H    1 19 LEU HA   2.800     . 2.800 2.854 2.827 2.862 0.062  2 0 "[    .    1]" 1 
       208 1 19 LEU H    1 19 LEU HB2  3.500     . 3.500 2.960 2.949 2.972     .  0 0 "[    .    1]" 1 
       209 1 19 LEU H    1 19 LEU QD   4.940     . 4.940 2.837 2.760 2.878     .  0 0 "[    .    1]" 1 
       210 1 19 LEU H    1 19 LEU HG   2.600     . 2.600 1.815 1.794 1.851 0.006  3 0 "[    .    1]" 1 
       211 1 19 LEU H    1 27 ARG QG   6.510     . 6.510 5.042 4.449 5.487     .  0 0 "[    .    1]" 1 
       212 1 19 LEU HA   1 19 LEU HG   3.300     . 3.300 3.102 3.028 3.160     .  0 0 "[    .    1]" 1 
       213 1 19 LEU HA   1 20 PRO QD   2.600     . 2.600 1.957 1.807 1.987     .  0 0 "[    .    1]" 1 
       214 1 19 LEU QB   1 27 ARG QB   6.050     . 6.050 4.915 4.663 5.048     .  0 0 "[    .    1]" 1 
       215 1 19 LEU HB2  1 19 LEU HG   2.800     . 2.800 2.730 2.681 2.761     .  0 0 "[    .    1]" 1 
       216 1 19 LEU HB2  1 52 ASN HB2  4.800     . 4.800 4.060 3.653 4.334     .  0 0 "[    .    1]" 1 
       217 1 19 LEU HB3  1 19 LEU HG   2.800     . 2.800 2.911 2.896 2.933 0.133  9 0 "[    .    1]" 1 
       218 1 19 LEU HB3  1 52 ASN HB2  4.300     . 4.300 3.159 2.833 3.566     .  0 0 "[    .    1]" 1 
       219 1 19 LEU QD   1 27 ARG HB3  4.900     . 4.900 4.937 4.863 4.976 0.076  5 0 "[    .    1]" 1 
       220 1 19 LEU QD   1 48 ALA MB   5.800     . 5.800 2.375 2.165 2.675     .  0 0 "[    .    1]" 1 
       221 1 19 LEU QD   1 49 LYS H    5.610     . 5.610 4.118 4.014 4.198     .  0 0 "[    .    1]" 1 
       222 1 19 LEU QD   1 49 LYS HA   4.940     . 4.940 2.873 2.610 3.026     .  0 0 "[    .    1]" 1 
       223 1 19 LEU QD   1 52 ASN H    5.610     . 5.610 3.962 3.822 4.080     .  0 0 "[    .    1]" 1 
       224 1 19 LEU QD   1 52 ASN HB2  4.600     . 4.600 2.551 2.441 2.712     .  0 0 "[    .    1]" 1 
       225 1 19 LEU QD   1 52 ASN HD22 6.060     . 6.060 3.513 3.316 4.143     .  0 0 "[    .    1]" 1 
       226 1 20 PRO HA   1 22 LEU H    5.000     . 5.000 3.853 3.761 4.007     .  0 0 "[    .    1]" 1 
       227 1 20 PRO QD   1 21 ASN H    4.260     . 4.260 2.473 2.301 2.575     .  0 0 "[    .    1]" 1 
       228 1 21 ASN H    1 21 ASN HA   2.900     . 2.900 2.931 2.926 2.934 0.034  3 0 "[    .    1]" 1 
       229 1 21 ASN H    1 21 ASN QB   3.500     . 3.500 2.884 2.669 3.064     .  0 0 "[    .    1]" 1 
       230 1 21 ASN H    1 21 ASN HD21 4.600     . 4.600 3.826 3.312 4.461     .  0 0 "[    .    1]" 1 
       231 1 21 ASN H    1 22 LEU H    2.700     . 2.700 2.760 2.726 2.781 0.081  1 0 "[    .    1]" 1 
       232 1 21 ASN HA   1 21 ASN QB   2.600     . 2.600 2.205 2.158 2.286     .  0 0 "[    .    1]" 1 
       233 1 21 ASN HA   1 22 LEU H    2.800     . 2.800 2.848 2.816 2.891 0.091 10 0 "[    .    1]" 1 
       234 1 21 ASN QB   1 52 ASN HD22 4.300     . 4.300 3.611 2.376 4.205     .  0 0 "[    .    1]" 1 
       235 1 21 ASN HD21 1 56 ALA MB   3.000     . 3.000 2.697 1.967 3.005 0.005  7 0 "[    .    1]" 1 
       236 1 21 ASN HD22 1 52 ASN HD21 4.100     . 4.100 3.871 3.018 4.122 0.022  9 0 "[    .    1]" 1 
       237 1 21 ASN HD22 1 52 ASN HD22 4.000     . 4.000 3.738 3.275 4.011 0.011  4 0 "[    .    1]" 1 
       238 1 21 ASN HD22 1 56 ALA MB   3.200     . 3.200 2.821 2.116 3.209 0.009  2 0 "[    .    1]" 1 
       239 1 21 ASN HD22 1 57 PRO QD   3.900     . 3.900 3.875 3.561 3.924 0.024  6 0 "[    .    1]" 1 
       240 1 22 LEU H    1 22 LEU HA   3.000     . 3.000 2.935 2.921 2.951     .  0 0 "[    .    1]" 1 
       241 1 22 LEU H    1 22 LEU QB   3.700     . 3.700 2.292 2.196 2.363     .  0 0 "[    .    1]" 1 
       242 1 22 LEU H    1 22 LEU HG   4.300     . 4.300 4.344 4.144 4.453 0.153  2 0 "[    .    1]" 1 
       243 1 22 LEU HA   1 22 LEU QB   2.600     . 2.600 2.394 2.211 2.519     .  0 0 "[    .    1]" 1 
       244 1 22 LEU HA   1 23 ASN H    2.600     . 2.600 2.287 2.206 2.439     .  0 0 "[    .    1]" 1 
       245 1 22 LEU HA   1 55 GLN HE21 4.800     . 4.800 3.489 2.082 4.114     .  0 0 "[    .    1]" 1 
       246 1 22 LEU QB   1 23 ASN H    3.700     . 3.700 3.287 2.792 3.569     .  0 0 "[    .    1]" 1 
       247 1 22 LEU QB   1 52 ASN HB2  5.610     . 5.610 3.514 2.366 3.984     .  0 0 "[    .    1]" 1 
       248 1 22 LEU QD   1 23 ASN H    4.400     . 4.400 2.847 1.941 3.297     .  0 0 "[    .    1]" 1 
       249 1 22 LEU QD   1 52 ASN HA   4.600     . 4.600 2.962 2.189 4.570     .  0 0 "[    .    1]" 1 
       250 1 22 LEU QD   1 52 ASN HB2  4.600     . 4.600 2.363 1.829 3.363     .  0 0 "[    .    1]" 1 
       251 1 22 LEU HG   1 23 ASN H    2.400     . 2.400 2.361 2.176 2.430 0.030 10 0 "[    .    1]" 1 
       252 1 23 ASN H    1 23 ASN HA   3.000     . 3.000 2.933 2.906 2.948     .  0 0 "[    .    1]" 1 
       253 1 23 ASN H    1 23 ASN QB   3.590     . 3.590 2.522 2.242 2.929     .  0 0 "[    .    1]" 1 
       254 1 23 ASN H    1 26 GLN QB   5.050     . 5.050 3.017 2.354 4.301     .  0 0 "[    .    1]" 1 
       255 1 23 ASN H    1 55 GLN HE21 4.100     . 4.100 4.036 3.750 4.156 0.056  9 0 "[    .    1]" 1 
       256 1 23 ASN HA   1 24 GLU H    3.800     . 3.800 2.286 2.204 2.366     .  0 0 "[    .    1]" 1 
       257 1 23 ASN QB   1 23 ASN HD22 3.140     . 3.140 3.202 3.198 3.218 0.078  8 0 "[    .    1]" 1 
       258 1 23 ASN QB   1 24 GLU H    4.710     . 4.710 2.934 2.622 3.352     .  0 0 "[    .    1]" 1 
       259 1 24 GLU H    1 24 GLU HA   2.700     . 2.700 2.746 2.719 2.772 0.072  9 0 "[    .    1]" 1 
       260 1 24 GLU H    1 24 GLU QB   2.900     . 2.900 2.345 2.041 2.651     .  0 0 "[    .    1]" 1 
       261 1 24 GLU H    1 24 GLU QG   3.800     . 3.800 2.781 1.971 3.796     .  0 0 "[    .    1]" 1 
       262 1 24 GLU H    1 25 GLU H    3.300     . 3.300 2.861 2.772 2.936     .  0 0 "[    .    1]" 1 
       263 1 24 GLU HA   1 24 GLU QG   3.700     . 3.700 2.705 2.087 3.360     .  0 0 "[    .    1]" 1 
       264 1 24 GLU HA   1 25 GLU H    3.500     . 3.500 3.535 3.507 3.550 0.050  5 0 "[    .    1]" 1 
       265 1 24 GLU HA   1 28 ASN QB   5.610     . 5.610 4.381 3.779 4.721     .  0 0 "[    .    1]" 1 
       266 1 24 GLU QB   1 25 GLU H    4.040     . 4.040 2.847 2.391 3.469     .  0 0 "[    .    1]" 1 
       267 1 24 GLU QG   1 25 GLU H    4.710     . 4.710 3.310 1.930 4.405     .  0 0 "[    .    1]" 1 
       268 1 24 GLU O    1 28 ASN H    2.000     . 2.000 1.877 1.779 2.002 0.021  7 0 "[    .    1]" 1 
       269 1 24 GLU O    1 28 ASN N    3.000 2.700 3.000 2.694 2.673 2.769 0.027  3 0 "[    .    1]" 1 
       270 1 25 GLU H    1 25 GLU HA   2.800     . 2.800 2.774 2.745 2.803 0.003  2 0 "[    .    1]" 1 
       271 1 25 GLU H    1 25 GLU QB   2.920     . 2.920 2.275 2.119 2.611     .  0 0 "[    .    1]" 1 
       272 1 25 GLU H    1 26 GLN H    3.100     . 3.100 2.866 2.766 3.139 0.039  9 0 "[    .    1]" 1 
       273 1 25 GLU HA   1 25 GLU QG   2.800     . 2.800 2.359 2.123 2.739     .  0 0 "[    .    1]" 1 
       274 1 25 GLU HA   1 27 ARG H    4.900     . 4.900 4.782 4.404 4.911 0.011  4 0 "[    .    1]" 1 
       275 1 25 GLU HA   1 28 ASN H    3.800     . 3.800 3.727 3.455 3.849 0.049  7 0 "[    .    1]" 1 
       276 1 25 GLU HA   1 28 ASN QB   3.930     . 3.930 2.961 2.490 3.962 0.032  7 0 "[    .    1]" 1 
       277 1 25 GLU HA   1 28 ASN HD21 4.500     . 4.500 3.421 2.218 4.543 0.043  7 0 "[    .    1]" 1 
       278 1 25 GLU QB   1 26 GLN H    3.370     . 3.370 2.394 1.891 2.624     .  0 0 "[    .    1]" 1 
       279 1 25 GLU QG   1 26 GLN H    5.100     . 5.100 4.043 3.316 4.470     .  0 0 "[    .    1]" 1 
       280 1 25 GLU O    1 29 ALA H    2.000     . 2.000 2.017 1.933 2.051 0.051  6 0 "[    .    1]" 1 
       281 1 25 GLU O    1 29 ALA N    3.000 2.700 3.000 2.968 2.883 3.027 0.027  6 0 "[    .    1]" 1 
       282 1 26 GLN H    1 26 GLN HA   2.800     . 2.800 2.832 2.734 2.857 0.057  3 0 "[    .    1]" 1 
       283 1 26 GLN H    1 26 GLN QB   3.000     . 3.000 2.309 2.091 2.768     .  0 0 "[    .    1]" 1 
       284 1 26 GLN HA   1 26 GLN QG   3.500     . 3.500 2.356 2.028 3.354     .  0 0 "[    .    1]" 1 
       285 1 26 GLN HA   1 29 ALA H    3.400     . 3.400 3.438 3.423 3.460 0.060  8 0 "[    .    1]" 1 
       286 1 26 GLN HA   1 29 ALA MB   3.800     . 3.800 2.704 2.389 2.994     .  0 0 "[    .    1]" 1 
       287 1 26 GLN QB   1 26 GLN HE22 4.380     . 4.380 3.415 3.151 3.696     .  0 0 "[    .    1]" 1 
       288 1 26 GLN QB   1 27 ARG H    4.260     . 4.260 2.567 2.379 3.250     .  0 0 "[    .    1]" 1 
       289 1 26 GLN QB   1 51 LEU QD   6.010     . 6.010 3.506 2.492 4.237     .  0 0 "[    .    1]" 1 
       290 1 26 GLN HE21 1 52 ASN HA   4.700     . 4.700 4.522 4.339 4.709 0.009  9 0 "[    .    1]" 1 
       291 1 26 GLN HE21 1 55 GLN HE21 3.100     . 3.100 2.332 1.976 2.923     .  0 0 "[    .    1]" 1 
       292 1 26 GLN HE21 1 55 GLN QG   4.500     . 4.500 3.884 3.534 4.519 0.019  8 0 "[    .    1]" 1 
       293 1 26 GLN HE22 1 55 GLN HE21 3.100     . 3.100 2.527 2.178 2.924     .  0 0 "[    .    1]" 1 
       294 1 26 GLN QG   1 27 ARG H    4.500     . 4.500 3.925 2.204 4.528 0.028  6 0 "[    .    1]" 1 
       295 1 26 GLN O    1 30 PHE H    2.000     . 2.000 1.945 1.837 2.013 0.013 10 0 "[    .    1]" 1 
       296 1 26 GLN O    1 30 PHE N    3.000 2.700 3.000 2.843 2.723 2.966     .  0 0 "[    .    1]" 1 
       297 1 27 ARG H    1 27 ARG HB3  2.800     . 2.800 2.771 2.573 2.874 0.074 10 0 "[    .    1]" 1 
       298 1 27 ARG HA   1 27 ARG HB2  2.900     . 2.900 2.581 2.473 2.649     .  0 0 "[    .    1]" 1 
       299 1 27 ARG HA   1 27 ARG QG   3.300     . 3.300 2.293 2.198 2.369     .  0 0 "[    .    1]" 1 
       300 1 27 ARG HA   1 30 PHE QB   4.150     . 4.150 2.523 2.315 2.801     .  0 0 "[    .    1]" 1 
       301 1 27 ARG HA   1 31 ILE H    4.000     . 4.000 3.778 3.608 4.007 0.007 10 0 "[    .    1]" 1 
       302 1 27 ARG HB2  1 27 ARG QD   3.900     . 3.900 2.739 2.055 3.561     .  0 0 "[    .    1]" 1 
       303 1 27 ARG HB2  1 28 ASN H    4.000     . 4.000 3.843 3.682 4.009 0.009  1 0 "[    .    1]" 1 
       304 1 27 ARG HB3  1 27 ARG QD   3.300     . 3.300 2.759 2.255 3.210     .  0 0 "[    .    1]" 1 
       305 1 27 ARG HB3  1 28 ASN H    3.200     . 3.200 2.896 2.790 3.128     .  0 0 "[    .    1]" 1 
       306 1 27 ARG HB3  1 28 ASN QB   5.720     . 5.720 4.279 3.985 4.665     .  0 0 "[    .    1]" 1 
       307 1 27 ARG QD   1 27 ARG HE   2.700     . 2.700 2.313 2.207 2.474     .  0 0 "[    .    1]" 1 
       308 1 27 ARG QD   1 27 ARG QG   2.400     . 2.400 1.994 1.947 2.033     .  0 0 "[    .    1]" 1 
       309 1 27 ARG QG   1 28 ASN H    4.600     . 4.600 4.190 3.894 4.555     .  0 0 "[    .    1]" 1 
       310 1 27 ARG O    1 31 ILE H    2.000     . 2.000 2.012 1.952 2.041 0.041  7 0 "[    .    1]" 1 
       311 1 27 ARG O    1 31 ILE N    3.000 2.700 3.000 2.959 2.907 2.990     .  0 0 "[    .    1]" 1 
       312 1 28 ASN H    1 28 ASN HA   2.900     . 2.900 2.862 2.845 2.872     .  0 0 "[    .    1]" 1 
       313 1 28 ASN H    1 28 ASN QB   2.470     . 2.470 2.267 2.135 2.502 0.032  6 0 "[    .    1]" 1 
       314 1 28 ASN H    1 29 ALA H    2.900     . 2.900 2.552 2.471 2.624     .  0 0 "[    .    1]" 1 
       315 1 28 ASN HA   1 30 PHE H    4.800     . 4.800 4.221 4.110 4.364     .  0 0 "[    .    1]" 1 
       316 1 28 ASN HA   1 31 ILE HB   3.200     . 3.200 2.813 2.661 2.960     .  0 0 "[    .    1]" 1 
       317 1 28 ASN QB   1 29 ALA H    3.140     . 3.140 2.625 2.331 3.292 0.152  7 0 "[    .    1]" 1 
       318 1 28 ASN O    1 32 GLN H    2.000     . 2.000 1.854 1.788 1.961 0.012  7 0 "[    .    1]" 1 
       319 1 28 ASN O    1 32 GLN N    3.000 2.700 3.000 2.795 2.714 2.913     .  0 0 "[    .    1]" 1 
       320 1 29 ALA H    1 29 ALA HA   2.800     . 2.800 2.799 2.788 2.806 0.006  8 0 "[    .    1]" 1 
       321 1 29 ALA H    1 29 ALA MB   2.800     . 2.800 2.129 2.067 2.199     .  0 0 "[    .    1]" 1 
       322 1 29 ALA H    1 30 PHE H    2.800     . 2.800 2.657 2.598 2.743     .  0 0 "[    .    1]" 1 
       323 1 29 ALA HA   1 29 ALA MB   2.500     . 2.500 2.108 2.097 2.123     .  0 0 "[    .    1]" 1 
       324 1 29 ALA HA   1 32 GLN QG   4.300     . 4.300 4.301 4.271 4.311 0.011  6 0 "[    .    1]" 1 
       325 1 29 ALA MB   1 30 PHE H    3.300     . 3.300 2.708 2.637 2.765     .  0 0 "[    .    1]" 1 
       326 1 29 ALA O    1 33 SER H    2.000     . 2.000 1.977 1.878 2.020 0.020 10 0 "[    .    1]" 1 
       327 1 29 ALA O    1 33 SER N    3.000 2.700 3.000 2.844 2.774 2.899     .  0 0 "[    .    1]" 1 
       328 1 30 PHE H    1 30 PHE HA   2.800     . 2.800 2.837 2.807 2.846 0.046  5 0 "[    .    1]" 1 
       329 1 30 PHE H    1 30 PHE HB2  3.600     . 3.600 2.200 2.190 2.226     .  0 0 "[    .    1]" 1 
       330 1 30 PHE H    1 30 PHE HB3  3.600     . 3.600 3.497 3.489 3.512     .  0 0 "[    .    1]" 1 
       331 1 30 PHE H    1 31 ILE H    3.000     . 3.000 2.714 2.677 2.802     .  0 0 "[    .    1]" 1 
       332 1 30 PHE H    1 32 GLN H    4.900     . 4.900 4.082 3.915 4.255     .  0 0 "[    .    1]" 1 
       333 1 30 PHE HA   1 30 PHE HB3  3.000     . 3.000 2.632 2.630 2.633     .  0 0 "[    .    1]" 1 
       334 1 30 PHE HA   1 31 ILE H    3.700     . 3.700 3.561 3.556 3.566     .  0 0 "[    .    1]" 1 
       335 1 30 PHE HA   1 33 SER H    3.800     . 3.800 3.635 3.182 3.816 0.016  8 0 "[    .    1]" 1 
       336 1 30 PHE HA   1 34 LEU H    4.000     . 4.000 3.893 3.689 4.017 0.017  5 0 "[    .    1]" 1 
       337 1 30 PHE HB2  1 31 ILE H    3.500     . 3.500 2.495 2.465 2.541     .  0 0 "[    .    1]" 1 
       338 1 30 PHE HB2  1 48 ALA MB   4.600     . 4.600 3.794 3.623 3.981     .  0 0 "[    .    1]" 1 
       339 1 30 PHE HB3  1 31 ILE H    2.900     . 2.900 3.010 2.991 3.034 0.134  7 0 "[    .    1]" 1 
       340 1 30 PHE QD   1 44 LEU HB2  4.200     . 4.200 3.677 3.108 4.171     .  0 0 "[    .    1]" 1 
       341 1 30 PHE QD   1 44 LEU QD   6.510     . 6.510 2.510 1.876 3.722     .  0 0 "[    .    1]" 1 
       342 1 30 PHE QD   1 47 GLU QB   5.300     . 5.300 4.170 3.887 4.499     .  0 0 "[    .    1]" 1 
       343 1 30 PHE QD   1 48 ALA HA   5.000     . 5.000 3.869 3.739 4.159     .  0 0 "[    .    1]" 1 
       344 1 30 PHE QD   1 48 ALA MB   4.300     . 4.300 2.623 2.381 2.759     .  0 0 "[    .    1]" 1 
       345 1 30 PHE HZ   1 47 GLU QB   2.700     . 2.700 2.593 2.428 2.713 0.013  2 0 "[    .    1]" 1 
       346 1 30 PHE HZ   1 47 GLU QG   4.500     . 4.500 4.486 4.377 4.567 0.067  4 0 "[    .    1]" 1 
       347 1 30 PHE HZ   1 48 ALA H    3.900     . 3.900 3.685 3.358 3.917 0.017  7 0 "[    .    1]" 1 
       348 1 30 PHE HZ   1 48 ALA HA   4.100     . 4.100 2.644 2.429 3.187     .  0 0 "[    .    1]" 1 
       349 1 30 PHE HZ   1 48 ALA MB   5.100     . 5.100 3.400 3.252 3.724     .  0 0 "[    .    1]" 1 
       350 1 30 PHE O    1 34 LEU H    2.000     . 2.000 1.826 1.774 1.875 0.026  2 0 "[    .    1]" 1 
       351 1 30 PHE O    1 34 LEU N    3.000 2.700 3.000 2.719 2.679 2.795 0.021  7 0 "[    .    1]" 1 
       352 1 31 ILE H    1 31 ILE HA   2.800     . 2.800 2.787 2.765 2.795     .  0 0 "[    .    1]" 1 
       353 1 31 ILE H    1 31 ILE HB   2.600     . 2.600 2.487 2.425 2.535     .  0 0 "[    .    1]" 1 
       354 1 31 ILE H    1 31 ILE MD   4.600     . 4.600 3.322 3.218 3.514     .  0 0 "[    .    1]" 1 
       355 1 31 ILE H    1 31 ILE QG   3.930     . 3.930 2.170 2.080 2.282     .  0 0 "[    .    1]" 1 
       356 1 31 ILE H    1 31 ILE MG   4.600     . 4.600 3.762 3.748 3.770     .  0 0 "[    .    1]" 1 
       357 1 31 ILE HA   1 31 ILE HB   3.000     . 3.000 3.019 3.013 3.021 0.021  5 0 "[    .    1]" 1 
       358 1 31 ILE HA   1 31 ILE MD   4.500     . 4.500 3.489 1.929 3.874     .  0 0 "[    .    1]" 1 
       359 1 31 ILE HA   1 31 ILE MG   3.300     . 3.300 2.405 2.349 2.457     .  0 0 "[    .    1]" 1 
       360 1 31 ILE HA   1 34 LEU H    3.900     . 3.900 3.609 3.482 3.806     .  0 0 "[    .    1]" 1 
       361 1 31 ILE HA   1 34 LEU QB   4.380     . 4.380 2.731 2.432 3.968     .  0 0 "[    .    1]" 1 
       362 1 31 ILE HA   1 34 LEU QD   5.390     . 5.390 3.061 1.918 4.061     .  0 0 "[    .    1]" 1 
       363 1 31 ILE HB   1 32 GLN H    2.800     . 2.800 2.477 2.316 2.736     .  0 0 "[    .    1]" 1 
       364 1 31 ILE MG   1 35 LYS H    5.000     . 5.000 4.058 3.993 4.137     .  0 0 "[    .    1]" 1 
       365 1 31 ILE O    1 35 LYS H    2.000     . 2.000 2.017 2.002 2.031 0.031  2 0 "[    .    1]" 1 
       366 1 31 ILE O    1 35 LYS N    3.000 2.700 3.000 2.882 2.833 2.968     .  0 0 "[    .    1]" 1 
       367 1 32 GLN H    1 32 GLN HA   2.900     . 2.900 2.807 2.787 2.842     .  0 0 "[    .    1]" 1 
       368 1 32 GLN H    1 32 GLN QB   2.800     . 2.800 2.220 2.181 2.248     .  0 0 "[    .    1]" 1 
       369 1 32 GLN H    1 33 SER H    2.800     . 2.800 2.744 2.468 2.832 0.032  8 0 "[    .    1]" 1 
       370 1 32 GLN H    1 34 LEU H    4.200     . 4.200 4.041 3.953 4.193     .  0 0 "[    .    1]" 1 
       371 1 32 GLN HA   1 32 GLN HE22 4.500     . 4.500 4.445 4.233 4.502 0.002  7 0 "[    .    1]" 1 
       372 1 32 GLN HA   1 35 LYS H    3.700     . 3.700 3.355 3.230 3.639     .  0 0 "[    .    1]" 1 
       373 1 32 GLN HA   1 35 LYS QB   4.260     . 4.260 2.795 2.387 3.914     .  0 0 "[    .    1]" 1 
       374 1 32 GLN HA   1 36 ASP H    4.400     . 4.400 4.256 3.956 4.332     .  0 0 "[    .    1]" 1 
       375 1 32 GLN HE22 1 32 GLN QG   3.200     . 3.200 3.217 3.214 3.228 0.028  4 0 "[    .    1]" 1 
       376 1 32 GLN O    1 36 ASP H    2.000     . 2.000 2.006 1.925 2.031 0.031  7 0 "[    .    1]" 1 
       377 1 32 GLN O    1 36 ASP N    3.000 2.700 3.000 2.793 2.698 2.858 0.002  3 0 "[    .    1]" 1 
       378 1 33 SER H    1 33 SER HA   2.900     . 2.900 2.782 2.767 2.842     .  0 0 "[    .    1]" 1 
       379 1 33 SER H    1 33 SER HB2  2.900     . 2.900 2.479 2.275 2.570     .  0 0 "[    .    1]" 1 
       380 1 33 SER HA   1 33 SER HB2  3.000     . 3.000 2.485 2.428 2.657     .  0 0 "[    .    1]" 1 
       381 1 33 SER HA   1 33 SER HB3  3.000     . 3.000 3.019 2.985 3.026 0.026  5 0 "[    .    1]" 1 
       382 1 33 SER HA   1 34 LEU H    3.800     . 3.800 3.503 3.484 3.531     .  0 0 "[    .    1]" 1 
       383 1 33 SER HA   1 36 ASP H    3.300     . 3.300 3.340 3.328 3.363 0.063 10 0 "[    .    1]" 1 
       384 1 33 SER HA   1 36 ASP QB   4.380     . 4.380 2.563 2.335 3.298     .  0 0 "[    .    1]" 1 
       385 1 33 SER HB3  1 34 LEU H    4.100     . 4.100 2.650 2.533 2.794     .  0 0 "[    .    1]" 1 
       386 1 34 LEU H    1 34 LEU HA   2.800     . 2.800 2.821 2.807 2.841 0.041 10 0 "[    .    1]" 1 
       387 1 34 LEU H    1 34 LEU QB   3.250     . 3.250 2.159 2.058 2.700     .  0 0 "[    .    1]" 1 
       388 1 34 LEU H    1 34 LEU QD   3.300     . 3.300 3.297 2.874 3.378 0.078  8 0 "[    .    1]" 1 
       389 1 34 LEU HA   1 34 LEU QD   3.400     . 3.400 2.282 1.895 3.402 0.002 10 0 "[    .    1]" 1 
       390 1 34 LEU HA   1 35 LYS H    3.600     . 3.600 3.518 3.489 3.545     .  0 0 "[    .    1]" 1 
       391 1 34 LEU HA   1 37 ASP H    4.100     . 4.100 3.713 3.449 4.024     .  0 0 "[    .    1]" 1 
       392 1 35 LYS H    1 35 LYS HA   2.800     . 2.800 2.848 2.820 2.865 0.065 10 0 "[    .    1]" 1 
       393 1 35 LYS H    1 35 LYS QB   2.700     . 2.700 2.257 2.049 2.508     .  0 0 "[    .    1]" 1 
       394 1 35 LYS H    1 35 LYS QG   4.500     . 4.500 3.293 2.228 4.016     .  0 0 "[    .    1]" 1 
       395 1 35 LYS H    1 36 ASP H    2.800     . 2.800 2.488 2.385 2.571     .  0 0 "[    .    1]" 1 
       396 1 35 LYS HA   1 36 ASP H    3.800     . 3.800 3.467 3.449 3.489     .  0 0 "[    .    1]" 1 
       397 1 35 LYS QB   1 36 ASP H    3.900     . 3.900 3.061 2.805 3.667     .  0 0 "[    .    1]" 1 
       398 1 35 LYS QE   1 35 LYS QG   3.300     . 3.300 2.113 1.943 2.582     .  0 0 "[    .    1]" 1 
       399 1 36 ASP H    1 36 ASP HA   2.900     . 2.900 2.882 2.835 2.905 0.005  3 0 "[    .    1]" 1 
       400 1 36 ASP H    1 36 ASP QB   3.030     . 3.030 2.188 2.066 2.325     .  0 0 "[    .    1]" 1 
       401 1 36 ASP H    1 37 ASP H    3.700     . 3.700 2.528 2.307 2.868     .  0 0 "[    .    1]" 1 
       402 1 36 ASP HA   1 37 ASP H    3.600     . 3.600 3.554 3.531 3.575     .  0 0 "[    .    1]" 1 
       403 1 36 ASP QB   1 37 ASP H    3.480     . 3.480 2.563 2.047 3.321     .  0 0 "[    .    1]" 1 
       404 1 37 ASP H    1 37 ASP HB2  3.800     . 3.800 2.684 2.086 3.252     .  0 0 "[    .    1]" 1 
       405 1 37 ASP H    1 37 ASP HB3  2.800     . 2.800 2.825 2.704 2.953 0.153  8 0 "[    .    1]" 1 
       406 1 37 ASP HA   1 37 ASP HB2  2.700     . 2.700 2.593 2.457 2.746 0.046  8 0 "[    .    1]" 1 
       407 1 37 ASP HA   1 37 ASP HB3  3.000     . 3.000 2.991 2.922 3.022 0.022  4 0 "[    .    1]" 1 
       408 1 37 ASP HA   1 38 PRO QD   3.400     . 3.400 2.067 1.815 2.381     .  0 0 "[    .    1]" 1 
       409 1 38 PRO HA   1 38 PRO QG   3.900     . 3.900 3.019 2.828 3.468     .  0 0 "[    .    1]" 1 
       410 1 38 PRO QB   1 39 SER H    3.100     . 3.100 2.531 1.800 3.153 0.053 10 0 "[    .    1]" 1 
       411 1 38 PRO QD   1 38 PRO QG   2.300     . 2.300 1.971 1.950 1.976     .  0 0 "[    .    1]" 1 
       412 1 39 SER H    1 39 SER HA   2.900     . 2.900 2.843 2.789 2.914 0.014  7 0 "[    .    1]" 1 
       413 1 39 SER H    1 39 SER QB   3.140     . 3.140 2.262 2.132 2.382     .  0 0 "[    .    1]" 1 
       414 1 39 SER H    1 40 GLN H    2.800     . 2.800 2.784 2.694 2.861 0.061  3 0 "[    .    1]" 1 
       415 1 39 SER QB   1 40 GLN H    3.800     . 3.800 3.412 2.935 3.803 0.003  2 0 "[    .    1]" 1 
       416 1 40 GLN H    1 40 GLN HA   3.000     . 3.000 2.920 2.873 2.949     .  0 0 "[    .    1]" 1 
       417 1 40 GLN H    1 40 GLN QB   2.900     . 2.900 2.519 2.105 2.909 0.009  5 0 "[    .    1]" 1 
       418 1 40 GLN H    1 40 GLN QG   3.500     . 3.500 2.681 1.785 3.443 0.015  8 0 "[    .    1]" 1 
       419 1 40 GLN QB   1 41 SER H    4.600     . 4.600 3.887 3.769 4.050     .  0 0 "[    .    1]" 1 
       420 1 40 GLN QB   1 44 LEU H    4.820     . 4.820 4.162 3.906 4.401     .  0 0 "[    .    1]" 1 
       421 1 40 GLN HE22 1 40 GLN QG   3.300     . 3.300 3.242 3.218 3.301 0.001  9 0 "[    .    1]" 1 
       422 1 40 GLN QG   1 41 SER H    4.800     . 4.800 4.363 3.658 4.637     .  0 0 "[    .    1]" 1 
       423 1 41 SER H    1 41 SER HA   2.800     . 2.800 2.815 2.788 2.840 0.040  3 0 "[    .    1]" 1 
       424 1 41 SER H    1 41 SER QB   3.100     . 3.100 2.371 2.098 2.915     .  0 0 "[    .    1]" 1 
       425 1 41 SER H    1 42 ALA H    3.000     . 3.000 2.811 2.730 2.844     .  0 0 "[    .    1]" 1 
       426 1 41 SER HA   1 41 SER QB   2.600     . 2.600 2.334 2.176 2.527     .  0 0 "[    .    1]" 1 
       427 1 41 SER HA   1 42 ALA H    3.800     . 3.800 3.582 3.560 3.593     .  0 0 "[    .    1]" 1 
       428 1 41 SER HA   1 43 ASN H    4.100     . 4.100 4.029 3.909 4.130 0.030  3 0 "[    .    1]" 1 
       429 1 41 SER HA   1 44 LEU H    3.200     . 3.200 3.175 3.153 3.195     .  0 0 "[    .    1]" 1 
       430 1 41 SER HA   1 44 LEU HB2  3.700     . 3.700 3.331 3.151 3.440     .  0 0 "[    .    1]" 1 
       431 1 41 SER HA   1 44 LEU QD   5.720     . 5.720 2.755 1.847 3.307     .  0 0 "[    .    1]" 1 
       432 1 41 SER O    1 45 LEU H    2.000     . 2.000 1.979 1.876 2.039 0.039  5 0 "[    .    1]" 1 
       433 1 41 SER O    1 45 LEU N    3.000 2.700 3.000 2.735 2.673 2.825 0.027  3 0 "[    .    1]" 1 
       434 1 42 ALA H    1 42 ALA HA   2.800     . 2.800 2.735 2.726 2.753     .  0 0 "[    .    1]" 1 
       435 1 42 ALA H    1 42 ALA MB   2.800     . 2.800 2.132 2.066 2.206     .  0 0 "[    .    1]" 1 
       436 1 42 ALA H    1 43 ASN H    2.900     . 2.900 2.885 2.825 2.942 0.042  3 0 "[    .    1]" 1 
       437 1 42 ALA HA   1 42 ALA MB   2.500     . 2.500 2.103 2.096 2.126     .  0 0 "[    .    1]" 1 
       438 1 42 ALA HA   1 43 ASN H    3.800     . 3.800 3.505 3.480 3.527     .  0 0 "[    .    1]" 1 
       439 1 42 ALA HA   1 45 LEU H    3.900     . 3.900 3.383 3.242 3.426     .  0 0 "[    .    1]" 1 
       440 1 42 ALA HA   1 45 LEU HB2  3.200     . 3.200 2.518 2.359 2.694     .  0 0 "[    .    1]" 1 
       441 1 42 ALA HA   1 45 LEU QD   4.100     . 4.100 2.921 2.646 3.088     .  0 0 "[    .    1]" 1 
       442 1 42 ALA HA   1 46 ALA H    4.100     . 4.100 3.879 3.787 3.947     .  0 0 "[    .    1]" 1 
       443 1 42 ALA MB   1 43 ASN H    3.600     . 3.600 2.794 2.681 2.884     .  0 0 "[    .    1]" 1 
       444 1 42 ALA O    1 46 ALA H    2.000     . 2.000 2.023 2.012 2.032 0.032  3 0 "[    .    1]" 1 
       445 1 42 ALA O    1 46 ALA N    3.000 2.700 3.000 3.005 2.996 3.017 0.017  3 0 "[    .    1]" 1 
       446 1 43 ASN H    1 43 ASN HA   2.900     . 2.900 2.857 2.845 2.870     .  0 0 "[    .    1]" 1 
       447 1 43 ASN H    1 43 ASN QB   3.000     . 3.000 2.269 2.102 2.742     .  0 0 "[    .    1]" 1 
       448 1 43 ASN H    1 44 LEU H    2.800     . 2.800 2.485 2.423 2.569     .  0 0 "[    .    1]" 1 
       449 1 43 ASN HA   1 43 ASN QB   2.600     . 2.600 2.422 2.181 2.535     .  0 0 "[    .    1]" 1 
       450 1 43 ASN HA   1 46 ALA MB   3.700     . 3.700 2.949 2.782 3.095     .  0 0 "[    .    1]" 1 
       451 1 43 ASN QB   1 44 LEU H    3.500     . 3.500 2.671 2.523 3.377     .  0 0 "[    .    1]" 1 
       452 1 43 ASN QB   1 44 LEU QD   6.060     . 6.060 3.656 1.959 5.331     .  0 0 "[    .    1]" 1 
       453 1 43 ASN O    1 47 GLU H    2.000     . 2.000 2.050 2.032 2.062 0.062  7 0 "[    .    1]" 1 
       454 1 43 ASN O    1 47 GLU N    3.000 2.700 3.000 2.863 2.815 2.901     .  0 0 "[    .    1]" 1 
       455 1 44 LEU H    1 44 LEU HA   2.800     . 2.800 2.844 2.838 2.851 0.051  8 0 "[    .    1]" 1 
       456 1 44 LEU H    1 44 LEU QD   4.490     . 4.490 3.001 2.069 3.686     .  0 0 "[    .    1]" 1 
       457 1 44 LEU H    1 45 LEU H    2.800     . 2.800 2.451 2.422 2.467     .  0 0 "[    .    1]" 1 
       458 1 44 LEU HA   1 44 LEU QD   3.370     . 3.370 2.721 2.196 3.119     .  0 0 "[    .    1]" 1 
       459 1 44 LEU HA   1 44 LEU HG   3.600     . 3.600 3.032 2.498 3.623 0.023  4 0 "[    .    1]" 1 
       460 1 44 LEU HA   1 45 LEU H    3.400     . 3.400 3.391 3.358 3.414 0.014  6 0 "[    .    1]" 1 
       461 1 44 LEU HA   1 47 GLU H    3.800     . 3.800 3.424 3.337 3.480     .  0 0 "[    .    1]" 1 
       462 1 44 LEU HA   1 47 GLU QB   3.900     . 3.900 2.193 2.076 2.280     .  0 0 "[    .    1]" 1 
       463 1 44 LEU HB2  1 44 LEU HG   3.100     . 3.100 2.612 2.396 2.798     .  0 0 "[    .    1]" 1 
       464 1 44 LEU HB2  1 45 LEU H    4.000     . 4.000 3.686 3.273 4.092 0.092 10 0 "[    .    1]" 1 
       465 1 44 LEU QD   1 47 GLU QB   6.290     . 6.290 3.913 3.623 4.084     .  0 0 "[    .    1]" 1 
       466 1 44 LEU HG   1 45 LEU H    5.000     . 5.000 4.161 3.801 4.541     .  0 0 "[    .    1]" 1 
       467 1 44 LEU O    1 48 ALA H    2.000     . 2.000 1.974 1.798 2.018 0.018  7 0 "[    .    1]" 1 
       468 1 44 LEU O    1 48 ALA N    3.000 2.700 3.000 2.876 2.729 2.915     .  0 0 "[    .    1]" 1 
       469 1 45 LEU H    1 45 LEU HA   2.900     . 2.900 2.878 2.863 2.883     .  0 0 "[    .    1]" 1 
       470 1 45 LEU H    1 45 LEU HB3  3.000     . 3.000 2.829 2.821 2.846     .  0 0 "[    .    1]" 1 
       471 1 45 LEU H    1 45 LEU QD   5.200     . 5.200 3.472 3.443 3.488     .  0 0 "[    .    1]" 1 
       472 1 45 LEU H    1 46 ALA H    2.400     . 2.400 2.474 2.451 2.500 0.100 10 0 "[    .    1]" 1 
       473 1 45 LEU H    1 47 GLU H    3.300     . 3.300 3.405 3.383 3.433 0.133 10 0 "[    .    1]" 1 
       474 1 45 LEU HA   1 45 LEU HB2  3.000     . 3.000 2.676 2.674 2.679     .  0 0 "[    .    1]" 1 
       475 1 45 LEU HA   1 46 ALA H    3.500     . 3.500 3.509 3.502 3.511 0.011  4 0 "[    .    1]" 1 
       476 1 45 LEU HA   1 48 ALA H    3.800     . 3.800 3.499 3.393 3.644     .  0 0 "[    .    1]" 1 
       477 1 45 LEU HA   1 48 ALA MB   3.800     . 3.800 2.920 2.777 3.091     .  0 0 "[    .    1]" 1 
       478 1 45 LEU HA   1 49 LYS H    4.000     . 4.000 4.012 4.004 4.024 0.024  5 0 "[    .    1]" 1 
       479 1 45 LEU HB2  1 45 LEU QD   3.000     . 3.000 2.073 2.042 2.102     .  0 0 "[    .    1]" 1 
       480 1 45 LEU HB2  1 46 ALA H    3.000     . 3.000 3.135 3.125 3.143 0.143  4 0 "[    .    1]" 1 
       481 1 45 LEU HB3  1 45 LEU QD   3.000     . 3.000 2.361 2.321 2.378     .  0 0 "[    .    1]" 1 
       482 1 45 LEU QD   1 46 ALA H    5.200     . 5.200 3.792 3.775 3.815     .  0 0 "[    .    1]" 1 
       483 1 45 LEU HG   1 46 ALA H    4.100     . 4.100 4.032 4.007 4.067     .  0 0 "[    .    1]" 1 
       484 1 45 LEU O    1 49 LYS H    2.000     . 2.000 1.859 1.827 1.910     .  0 0 "[    .    1]" 1 
       485 1 45 LEU O    1 49 LYS N    3.000 2.700 3.000 2.655 2.640 2.684 0.060  1 0 "[    .    1]" 1 
       486 1 46 ALA H    1 46 ALA HA   2.800     . 2.800 2.802 2.796 2.809 0.009 10 0 "[    .    1]" 1 
       487 1 46 ALA H    1 46 ALA MB   2.700     . 2.700 2.180 2.061 2.242     .  0 0 "[    .    1]" 1 
       488 1 46 ALA H    1 47 GLU H    2.600     . 2.600 2.629 2.604 2.643 0.043  4 0 "[    .    1]" 1 
       489 1 46 ALA HA   1 46 ALA MB   2.500     . 2.500 2.120 2.094 2.134     .  0 0 "[    .    1]" 1 
       490 1 46 ALA HA   1 47 GLU H    3.600     . 3.600 3.488 3.478 3.496     .  0 0 "[    .    1]" 1 
       491 1 46 ALA HA   1 49 LYS H    3.800     . 3.800 3.539 3.508 3.582     .  0 0 "[    .    1]" 1 
       492 1 46 ALA HA   1 49 LYS HB2  3.200     . 3.200 3.232 3.221 3.249 0.049  8 0 "[    .    1]" 1 
       493 1 46 ALA HA   1 49 LYS QG   4.900     . 4.900 3.976 3.634 4.294     .  0 0 "[    .    1]" 1 
       494 1 46 ALA HA   1 50 LYS H    4.100     . 4.100 3.942 3.892 4.020     .  0 0 "[    .    1]" 1 
       495 1 46 ALA MB   1 47 GLU H    3.400     . 3.400 2.764 2.713 2.855     .  0 0 "[    .    1]" 1 
       496 1 46 ALA O    1 50 LYS H    2.000     . 2.000 2.026 2.002 2.043 0.043  9 0 "[    .    1]" 1 
       497 1 46 ALA O    1 50 LYS N    3.000 2.700 3.000 2.936 2.885 2.967     .  0 0 "[    .    1]" 1 
       498 1 47 GLU H    1 47 GLU HA   2.900     . 2.900 2.871 2.861 2.878     .  0 0 "[    .    1]" 1 
       499 1 47 GLU H    1 47 GLU QG   3.300     . 3.300 2.998 2.494 3.137     .  0 0 "[    .    1]" 1 
       500 1 47 GLU H    1 48 ALA H    2.900     . 2.900 2.601 2.568 2.652     .  0 0 "[    .    1]" 1 
       501 1 47 GLU H    1 48 ALA MB   5.400     . 5.400 4.273 4.228 4.315     .  0 0 "[    .    1]" 1 
       502 1 47 GLU HA   1 47 GLU QB   2.700     . 2.700 2.491 2.378 2.517     .  0 0 "[    .    1]" 1 
       503 1 47 GLU HA   1 47 GLU QG   3.400     . 3.400 2.388 2.203 2.719     .  0 0 "[    .    1]" 1 
       504 1 47 GLU HA   1 48 ALA H    3.500     . 3.500 3.544 3.538 3.551 0.051  7 0 "[    .    1]" 1 
       505 1 47 GLU HA   1 49 LYS H    4.400     . 4.400 3.979 3.948 4.004     .  0 0 "[    .    1]" 1 
       506 1 47 GLU HA   1 50 LYS H    3.300     . 3.300 3.374 3.359 3.398 0.098  4 0 "[    .    1]" 1 
       507 1 47 GLU HA   1 50 LYS QB   4.260     . 4.260 3.056 2.670 3.934     .  0 0 "[    .    1]" 1 
       508 1 47 GLU QB   1 47 GLU QG   2.300     . 2.300 2.049 1.982 2.085     .  0 0 "[    .    1]" 1 
       509 1 47 GLU QB   1 48 ALA H    2.800     . 2.800 2.511 2.411 2.559     .  0 0 "[    .    1]" 1 
       510 1 47 GLU QG   1 48 ALA H    4.700     . 4.700 4.271 3.964 4.331     .  0 0 "[    .    1]" 1 
       511 1 47 GLU O    1 51 LEU H    2.000     . 2.000 1.875 1.822 1.970     .  0 0 "[    .    1]" 1 
       512 1 47 GLU O    1 51 LEU N    3.000 2.700 3.000 2.802 2.743 2.900     .  0 0 "[    .    1]" 1 
       513 1 48 ALA H    1 48 ALA HA   2.800     . 2.800 2.831 2.823 2.839 0.039  5 0 "[    .    1]" 1 
       514 1 48 ALA H    1 48 ALA MB   2.800     . 2.800 2.205 2.101 2.245     .  0 0 "[    .    1]" 1 
       515 1 48 ALA HA   1 48 ALA MB   2.500     . 2.500 2.123 2.101 2.132     .  0 0 "[    .    1]" 1 
       516 1 48 ALA HA   1 49 LYS H    3.600     . 3.600 3.440 3.426 3.451     .  0 0 "[    .    1]" 1 
       517 1 48 ALA HA   1 51 LEU H    3.400     . 3.400 3.427 3.400 3.467 0.067  5 0 "[    .    1]" 1 
       518 1 48 ALA HA   1 51 LEU QB   3.500     . 3.500 2.312 2.203 2.396     .  0 0 "[    .    1]" 1 
       519 1 48 ALA HA   1 51 LEU QD   5.270     . 5.270 2.831 2.075 3.068     .  0 0 "[    .    1]" 1 
       520 1 48 ALA HA   1 52 ASN H    4.200     . 4.200 3.615 3.528 3.730     .  0 0 "[    .    1]" 1 
       521 1 48 ALA O    1 52 ASN H    2.000     . 2.000 1.938 1.810 2.003 0.003  8 0 "[    .    1]" 1 
       522 1 48 ALA O    1 52 ASN N    3.000 2.700 3.000 2.856 2.733 2.930     .  0 0 "[    .    1]" 1 
       523 1 49 LYS H    1 49 LYS HA   2.800     . 2.800 2.850 2.844 2.855 0.055  1 0 "[    .    1]" 1 
       524 1 49 LYS H    1 49 LYS HB3  2.400     . 2.400 2.438 2.429 2.456 0.056  8 0 "[    .    1]" 1 
       525 1 49 LYS H    1 49 LYS QG   4.200     . 4.200 3.971 3.953 3.991     .  0 0 "[    .    1]" 1 
       526 1 49 LYS H    1 50 LYS H    2.800     . 2.800 2.505 2.449 2.559     .  0 0 "[    .    1]" 1 
       527 1 49 LYS HA   1 49 LYS HB2  3.000     . 3.000 2.463 2.450 2.483     .  0 0 "[    .    1]" 1 
       528 1 49 LYS HA   1 49 LYS QG   3.300     . 3.300 2.513 2.394 2.620     .  0 0 "[    .    1]" 1 
       529 1 49 LYS HA   1 50 LYS H    3.600     . 3.600 3.559 3.544 3.578     .  0 0 "[    .    1]" 1 
       530 1 49 LYS HA   1 52 ASN H    3.800     . 3.800 3.552 3.480 3.605     .  0 0 "[    .    1]" 1 
       531 1 49 LYS HA   1 52 ASN HB2  3.400     . 3.400 3.432 3.410 3.455 0.055  5 0 "[    .    1]" 1 
       532 1 49 LYS HA   1 52 ASN HB3  3.400     . 3.400 3.137 2.860 3.244     .  0 0 "[    .    1]" 1 
       533 1 49 LYS HA   1 52 ASN HD21 5.000     . 5.000 4.508 4.330 4.627     .  0 0 "[    .    1]" 1 
       534 1 49 LYS HA   1 53 ASP H    4.200     . 4.200 3.974 3.906 4.048     .  0 0 "[    .    1]" 1 
       535 1 49 LYS QB   1 50 LYS H    3.030     . 3.030 2.430 2.382 2.490     .  0 0 "[    .    1]" 1 
       536 1 49 LYS HB3  1 49 LYS QE   4.700     . 4.700 3.440 2.606 4.350     .  0 0 "[    .    1]" 1 
       537 1 49 LYS O    1 53 ASP H    2.000     . 2.000 2.041 2.019 2.066 0.066 10 0 "[    .    1]" 1 
       538 1 49 LYS O    1 53 ASP N    3.000 2.700 3.000 2.966 2.935 2.994     .  0 0 "[    .    1]" 1 
       539 1 50 LYS H    1 50 LYS HA   2.900     . 2.900 2.833 2.827 2.837     .  0 0 "[    .    1]" 1 
       540 1 50 LYS H    1 50 LYS QB   2.900     . 2.900 2.293 2.050 2.757     .  0 0 "[    .    1]" 1 
       541 1 50 LYS H    1 50 LYS QD   3.300     . 3.300 3.310 3.201 3.378 0.078  3 0 "[    .    1]" 1 
       542 1 50 LYS H    1 50 LYS QG   4.300     . 4.300 2.966 1.737 3.987 0.063  3 0 "[    .    1]" 1 
       543 1 50 LYS H    1 51 LEU H    2.500     . 2.500 2.531 2.512 2.541 0.041  6 0 "[    .    1]" 1 
       544 1 50 LYS H    1 52 ASN H    4.200     . 4.200 4.233 4.211 4.253 0.053 10 0 "[    .    1]" 1 
       545 1 50 LYS HA   1 50 LYS QB   2.500     . 2.500 2.387 2.168 2.534 0.034  2 0 "[    .    1]" 1 
       546 1 50 LYS HA   1 50 LYS QD   4.400     . 4.400 3.032 1.905 4.170     .  0 0 "[    .    1]" 1 
       547 1 50 LYS HA   1 53 ASP QB   3.700     . 3.700 2.841 2.753 2.917     .  0 0 "[    .    1]" 1 
       548 1 50 LYS QB   1 50 LYS QG   2.500     . 2.500 2.014 1.970 2.065     .  0 0 "[    .    1]" 1 
       549 1 50 LYS QB   1 51 LEU H    3.200     . 3.200 2.824 2.613 3.298 0.098  5 0 "[    .    1]" 1 
       550 1 50 LYS QD   1 50 LYS QE   2.500     . 2.500 2.015 1.969 2.083     .  0 0 "[    .    1]" 1 
       551 1 50 LYS QE   1 50 LYS QG   3.100     . 3.100 2.282 2.000 2.537     .  0 0 "[    .    1]" 1 
       552 1 50 LYS O    1 54 ALA H    2.000     . 2.000 1.962 1.882 2.018 0.018  4 0 "[    .    1]" 1 
       553 1 50 LYS O    1 54 ALA N    3.000 2.700 3.000 2.777 2.695 2.828 0.005  8 0 "[    .    1]" 1 
       554 1 51 LEU H    1 51 LEU HA   2.800     . 2.800 2.823 2.806 2.836 0.036  1 0 "[    .    1]" 1 
       555 1 51 LEU H    1 51 LEU QB   2.600     . 2.600 2.311 2.286 2.334     .  0 0 "[    .    1]" 1 
       556 1 51 LEU H    1 51 LEU QD   4.700     . 4.700 3.179 3.040 3.255     .  0 0 "[    .    1]" 1 
       557 1 51 LEU H    1 51 LEU HG   2.600     . 2.600 2.610 2.591 2.626 0.026 10 0 "[    .    1]" 1 
       558 1 51 LEU H    1 52 ASN H    2.900     . 2.900 2.692 2.636 2.765     .  0 0 "[    .    1]" 1 
       559 1 51 LEU HA   1 51 LEU QB   2.700     . 2.700 2.426 2.414 2.439     .  0 0 "[    .    1]" 1 
       560 1 51 LEU HA   1 51 LEU QD   3.200     . 3.200 2.008 1.914 2.351     .  0 0 "[    .    1]" 1 
       561 1 51 LEU HA   1 52 ASN H    3.600     . 3.600 3.561 3.547 3.567     .  0 0 "[    .    1]" 1 
       562 1 51 LEU HA   1 54 ALA H    4.000     . 4.000 3.350 3.270 3.415     .  0 0 "[    .    1]" 1 
       563 1 51 LEU QB   1 52 ASN H    2.600     . 2.600 2.446 2.410 2.487     .  0 0 "[    .    1]" 1 
       564 1 51 LEU QD   1 55 GLN HE21 5.100     . 5.100 3.999 3.144 5.036     .  0 0 "[    .    1]" 1 
       565 1 52 ASN H    1 52 ASN HA   3.000     . 3.000 2.758 2.745 2.776     .  0 0 "[    .    1]" 1 
       566 1 52 ASN H    1 52 ASN HB2  2.700     . 2.700 2.276 2.213 2.439     .  0 0 "[    .    1]" 1 
       567 1 52 ASN H    1 52 ASN HB3  2.500     . 2.500 2.749 2.562 2.795 0.295  8 0 "[    .    1]" 1 
       568 1 52 ASN H    1 53 ASP H    2.700     . 2.700 2.712 2.650 2.764 0.064  9 0 "[    .    1]" 1 
       569 1 52 ASN H    1 55 GLN HE22 3.600     . 3.600 3.646 3.634 3.661 0.061  9 0 "[    .    1]" 1 
       570 1 52 ASN HA   1 52 ASN HB2  2.400     . 2.400 2.536 2.445 2.571 0.171  1 0 "[    .    1]" 1 
       571 1 52 ASN HA   1 52 ASN HB3  3.000     . 3.000 2.894 2.883 2.927     .  0 0 "[    .    1]" 1 
       572 1 52 ASN HA   1 52 ASN HD21 4.100     . 4.100 4.071 3.877 4.151 0.051  5 0 "[    .    1]" 1 
       573 1 52 ASN HA   1 53 ASP H    3.400     . 3.400 3.473 3.451 3.487 0.087  3 0 "[    .    1]" 1 
       574 1 52 ASN HA   1 55 GLN H    4.000     . 4.000 3.703 3.550 3.908     .  0 0 "[    .    1]" 1 
       575 1 52 ASN HB3  1 52 ASN HD22 3.800     . 3.800 3.402 3.391 3.426     .  0 0 "[    .    1]" 1 
       576 1 52 ASN HB3  1 53 ASP H    3.600     . 3.600 2.536 2.274 2.706     .  0 0 "[    .    1]" 1 
       577 1 53 ASP H    1 53 ASP HA   2.900     . 2.900 2.855 2.827 2.886     .  0 0 "[    .    1]" 1 
       578 1 53 ASP H    1 53 ASP QB   3.100     . 3.100 2.335 2.231 2.511     .  0 0 "[    .    1]" 1 
       579 1 53 ASP H    1 54 ALA H    2.900     . 2.900 2.495 2.399 2.595     .  0 0 "[    .    1]" 1 
       580 1 53 ASP HA   1 53 ASP QB   2.700     . 2.700 2.385 2.342 2.414     .  0 0 "[    .    1]" 1 
       581 1 53 ASP HA   1 55 GLN H    4.800     . 4.800 4.118 4.004 4.214     .  0 0 "[    .    1]" 1 
       582 1 53 ASP QB   1 54 ALA H    2.600     . 2.600 2.648 2.625 2.685 0.085  4 0 "[    .    1]" 1 
       583 1 54 ALA H    1 54 ALA HA   2.800     . 2.800 2.814 2.803 2.840 0.040  1 0 "[    .    1]" 1 
       584 1 54 ALA H    1 54 ALA MB   2.700     . 2.700 2.182 2.098 2.233     .  0 0 "[    .    1]" 1 
       585 1 54 ALA H    1 55 GLN H    2.800     . 2.800 2.688 2.522 2.807 0.007  4 0 "[    .    1]" 1 
       586 1 54 ALA H    1 56 ALA H    4.500     . 4.500 4.169 3.995 4.272     .  0 0 "[    .    1]" 1 
       587 1 54 ALA HA   1 54 ALA MB   2.500     . 2.500 2.112 2.094 2.124     .  0 0 "[    .    1]" 1 
       588 1 54 ALA HA   1 55 GLN H    3.500     . 3.500 3.512 3.494 3.529 0.029  4 0 "[    .    1]" 1 
       589 1 54 ALA MB   1 55 GLN H    3.200     . 3.200 2.865 2.778 2.942     .  0 0 "[    .    1]" 1 
       590 1 55 GLN H    1 55 GLN HA   2.900     . 2.900 2.929 2.925 2.932 0.032  4 0 "[    .    1]" 1 
       591 1 55 GLN H    1 55 GLN QB   3.370     . 3.370 2.914 2.690 3.034     .  0 0 "[    .    1]" 1 
       592 1 55 GLN H    1 55 GLN QG   2.800     . 2.800 2.170 2.008 2.925 0.125  4 0 "[    .    1]" 1 
       593 1 55 GLN H    1 56 ALA H    2.900     . 2.900 2.582 2.501 2.668     .  0 0 "[    .    1]" 1 
       594 1 55 GLN HA   1 55 GLN QB   2.200     . 2.200 2.168 2.155 2.207 0.007  9 0 "[    .    1]" 1 
       595 1 55 GLN HA   1 55 GLN QG   3.400     . 3.400 3.093 2.852 3.409 0.009  4 0 "[    .    1]" 1 
       596 1 55 GLN HA   1 56 ALA H    3.400     . 3.400 3.054 2.982 3.120     .  0 0 "[    .    1]" 1 
       597 1 55 GLN QB   1 56 ALA H    5.050     . 5.050 3.872 3.751 4.002     .  0 0 "[    .    1]" 1 
       598 1 56 ALA H    1 56 ALA HA   2.900     . 2.900 2.847 2.762 2.905 0.005  1 0 "[    .    1]" 1 
       599 1 56 ALA H    1 56 ALA MB   2.700     . 2.700 2.136 2.029 2.244     .  0 0 "[    .    1]" 1 
       600 1 56 ALA HA   1 56 ALA MB   2.500     . 2.500 2.100 2.081 2.115     .  0 0 "[    .    1]" 1 
       601 1 56 ALA HA   1 57 PRO QD   3.600     . 3.600 2.087 2.005 2.143     .  0 0 "[    .    1]" 1 
       602 1 57 PRO HA   1 58 LYS H    2.500     . 2.500 2.266 2.166 2.502 0.002  5 0 "[    .    1]" 1 
       603 1 57 PRO QB   1 57 PRO QD   3.500     . 3.500 2.768 2.741 2.868     .  0 0 "[    .    1]" 1 
       604 1 57 PRO QB   1 58 LYS H    4.820     . 4.820 3.093 2.530 3.960     .  0 0 "[    .    1]" 1 
       605 1 57 PRO QD   1 57 PRO QG   2.400     . 2.400 1.967 1.951 1.974     .  0 0 "[    .    1]" 1 
       606 1 58 LYS H    1 58 LYS HA   2.900     . 2.900 2.895 2.879 2.918 0.018  3 0 "[    .    1]" 1 
       607 1 58 LYS H    1 58 LYS QD   4.300     . 4.300 3.687 1.986 4.306 0.006  7 0 "[    .    1]" 1 
       608 1 58 LYS H    1 58 LYS QG   3.300     . 3.300 2.270 1.915 3.129     .  0 0 "[    .    1]" 1 
    stop_

save_



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