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
382224 1jdq 5060 cing recoord 4-filtered-FRED Wattos check violation distance


data_1jdq


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              838
    _Distance_constraint_stats_list.Viol_count                    1733
    _Distance_constraint_stats_list.Viol_total                    3441.881
    _Distance_constraint_stats_list.Viol_max                      0.999
    _Distance_constraint_stats_list.Viol_rms                      0.0568
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0103
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0993
    _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 11 SER  0.420 0.050  8  0 "[    .    1    .    2]" 
       1 12 GLY  0.420 0.050  8  0 "[    .    1    .    2]" 
       1 13 LEU  0.030 0.022  7  0 "[    .    1    .    2]" 
       1 14 VAL  0.030 0.022  7  0 "[    .    1    .    2]" 
       1 16 ARG  5.832 0.749 20  2 "[    .    1    . -  +]" 
       1 17 GLY  0.773 0.111  8  0 "[    .    1    .    2]" 
       1 18 SER  0.620 0.093 13  0 "[    .    1    .    2]" 
       1 19 HIS  1.211 0.093 13  0 "[    .    1    .    2]" 
       1 20 MET  0.591 0.059  8  0 "[    .    1    .    2]" 
       1 21 ALA  0.174 0.090 15  0 "[    .    1    .    2]" 
       1 22 LYS  2.987 0.492  1  0 "[    .    1    .    2]" 
       1 23 TYR  1.289 0.435 20  0 "[    .    1    .    2]" 
       1 24 GLN  1.051 0.525 12  1 "[    .    1 +  .    2]" 
       1 25 VAL  1.910 0.450  7  0 "[    .    1    .    2]" 
       1 26 THR  1.250 0.294 16  0 "[    .    1    .    2]" 
       1 27 LYS  5.362 0.321 15  0 "[    .    1    .    2]" 
       1 28 THR  0.558 0.063 19  0 "[    .    1    .    2]" 
       1 29 LEU  2.144 0.111 17  0 "[    .    1    .    2]" 
       1 30 ASP  1.561 0.528 18  2 "[    .    1 -  .  + 2]" 
       1 31 VAL  5.290 0.999  6  4 "[   *.+   1    .  * -]" 
       1 32 ARG  1.946 0.132 16  0 "[    .    1    .    2]" 
       1 33 GLY  1.708 0.132 16  0 "[    .    1    .    2]" 
       1 34 GLU  1.853 0.515 17  1 "[    .    1    . +  2]" 
       1 35 VAL  9.723 0.797 20  2 "[    .    1    . -  +]" 
       1 36 CYS  2.733 0.284 20  0 "[    .    1    .    2]" 
       1 37 PRO  0.199 0.034  1  0 "[    .    1    .    2]" 
       1 38 VAL  0.242 0.049  3  0 "[    .    1    .    2]" 
       1 39 PRO  0.001 0.001 17  0 "[    .    1    .    2]" 
       1 40 ASP  0.101 0.026 10  0 "[    .    1    .    2]" 
       1 41 VAL  2.353 0.660 10  2 "[    .    +   -.    2]" 
       1 42 GLU  0.504 0.083 20  0 "[    .    1    .    2]" 
       1 43 THR  1.913 0.235  5  0 "[    .    1    .    2]" 
       1 44 LYS  3.374 0.589  5  2 "[-   +    1    .    2]" 
       1 45 ARG 13.987 0.806  6  9 "[ *  -+   **  *.**  *]" 
       1 46 ALA  0.691 0.051 11  0 "[    .    1    .    2]" 
       1 47 LEU  4.773 0.877  8  2 "[    -  + 1    .    2]" 
       1 48 GLN 13.041 0.806  6  8 "[ *  -+   **  *.*   *]" 
       1 49 ASN  5.656 0.607  8  6 "[  -*.  + 1  * . * *2]" 
       1 50 MET 25.280 0.932  2 12 "[ +-*. ** 1*** . ****]" 
       1 51 LYS  5.636 0.650 14  1 "[    .    1   +.    2]" 
       1 53 GLY  1.707 0.136 20  0 "[    .    1    .    2]" 
       1 54 GLU  3.956 0.136 20  0 "[    .    1    .    2]" 
       1 55 ILE  2.154 0.525 12  1 "[    .    1 +  .    2]" 
       1 56 LEU  4.779 0.450  7  0 "[    .    1    .    2]" 
       1 57 GLU  1.015 0.091 16  0 "[    .    1    .    2]" 
       1 58 VAL  1.584 0.217 17  0 "[    .    1    .    2]" 
       1 59 TRP  2.134 0.315 18  0 "[    .    1    .    2]" 
       1 60 ILE  1.475 0.069 13  0 "[    .    1    .    2]" 
       1 61 ASP  0.162 0.041 12  0 "[    .    1    .    2]" 
       1 62 TYR  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 64 MET  6.086 0.450  7  0 "[    .    1    .    2]" 
       1 65 SER  0.360 0.062 17  0 "[    .    1    .    2]" 
       1 66 LYS  3.979 0.450  7  0 "[    .    1    .    2]" 
       1 67 GLU  2.351 0.185  2  0 "[    .    1    .    2]" 
       1 68 ARG  2.073 0.203 11  0 "[    .    1    .    2]" 
       1 69 ILE  2.990 0.150  8  0 "[    .    1    .    2]" 
       1 70 PRO  0.283 0.033  8  0 "[    .    1    .    2]" 
       1 71 GLU 15.614 0.877  8  8 "[*-  ** + 1    .  ***]" 
       1 72 THR  1.997 0.724 12  1 "[    .    1 +  .    2]" 
       1 73 VAL  5.425 0.724 12  1 "[    .    1 +  .    2]" 
       1 74 LYS 10.423 0.769 10  9 "[* * .*- *+* * .    *]" 
       1 75 LYS  3.065 0.144 20  0 "[    .    1    .    2]" 
       1 76 LEU  8.571 0.710  9  2 "[    .   +1 -  .    2]" 
       1 77 GLY  2.406 0.432  9  0 "[    .    1    .    2]" 
       1 78 HIS  2.349 0.128 20  0 "[    .    1    .    2]" 
       1 79 GLU  5.486 0.312 18  0 "[    .    1    .    2]" 
       1 80 VAL  0.852 0.101 18  0 "[    .    1    .    2]" 
       1 81 LEU  6.262 0.589  5  2 "[-   +    1    .    2]" 
       1 82 GLU 11.875 0.589  5  2 "[-   +    1    .    2]" 
       1 83 ILE  1.590 0.312  1  0 "[    .    1    .    2]" 
       1 84 GLU  2.084 0.286 15  0 "[    .    1    .    2]" 
       1 85 GLU  2.284 0.515 17  1 "[    .    1    . +  2]" 
       1 86 VAL  1.293 0.515 17  1 "[    .    1    . +  2]" 
       1 87 GLY  0.867 0.371 20  0 "[    .    1    .    2]" 
       1 89 SER  1.402 0.112 17  0 "[    .    1    .    2]" 
       1 90 GLU  2.364 0.371 20  0 "[    .    1    .    2]" 
       1 91 TRP  1.618 0.105  9  0 "[    .    1    .    2]" 
       1 92 LYS  4.476 0.392  3  0 "[    .    1    .    2]" 
       1 93 ILE  3.022 0.392  3  0 "[    .    1    .    2]" 
       1 94 TYR  4.725 0.450  7  0 "[    .    1    .    2]" 
       1 95 ILE  1.326 0.130 18  0 "[    .    1    .    2]" 
       1 96 LYS  7.041 0.312 18  0 "[    .    1    .    2]" 
       1 97 VAL  7.394 0.709 19  6 "[   *.    1* - . * +*]" 
       1 98 LYS  0.056 0.017 14  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 11 SER H   1 12 GLY H   5.000 3.000 55.000 3.170 2.963  4.298 0.037  6 0 "[    .    1    .    2]" 1 
         2 1 11 SER HA  1 12 GLY H   5.000 3.000 55.000 3.342 2.950  3.573 0.050  8 0 "[    .    1    .    2]" 1 
         3 1 12 GLY H   1 13 LEU H   5.000 3.000 55.000 4.243 3.055  4.630     .  0 0 "[    .    1    .    2]" 1 
         4 1 12 GLY QA  1 13 LEU MD2 2.200     .  5.500 3.318 2.797  3.957     .  0 0 "[    .    1    .    2]" 1 
         5 1 12 GLY QA  1 13 LEU MD2 2.200     .  5.500 3.142 2.690  3.587     .  0 0 "[    .    1    .    2]" 1 
         6 1 13 LEU H   1 14 VAL H   5.000 3.000 55.000 3.996 2.978  4.627 0.022  7 0 "[    .    1    .    2]" 1 
         7 1 13 LEU HA  1 13 LEU QB  2.200     .  2.800 2.498 2.392  2.539     .  0 0 "[    .    1    .    2]" 1 
         8 1 13 LEU HA  1 13 LEU QD  2.100     .  2.700 2.167 1.767  2.594     .  0 0 "[    .    1    .    2]" 1 
         9 1 13 LEU HA  1 13 LEU QD  2.000     .  2.500 2.083 1.732  2.488     .  0 0 "[    .    1    .    2]" 1 
        10 1 13 LEU HB3 1 13 LEU QD  1.900     .  2.400 2.207 2.054  2.382     .  0 0 "[    .    1    .    2]" 1 
        11 1 13 LEU HB3 1 13 LEU QD  1.800     .  2.200 1.778 1.736  1.812     .  0 0 "[    .    1    .    2]" 1 
        12 1 14 VAL HB  1 14 VAL QG  1.800     .  2.200 1.609 1.600  1.625     .  0 0 "[    .    1    .    2]" 1 
        13 1 14 VAL HB  1 14 VAL QG  1.900     .  2.400 1.611 1.601  1.621     .  0 0 "[    .    1    .    2]" 1 
        14 1 14 VAL HB  1 14 VAL MG1 1.900     .  2.400 1.753 1.738  1.769     .  0 0 "[    .    1    .    2]" 1 
        15 1 14 VAL HB  1 14 VAL MG2 2.200     .  2.800 1.878 1.864  1.893     .  0 0 "[    .    1    .    2]" 1 
        16 1 14 VAL HB  1 14 VAL MG2 1.600     .  2.200 1.752 1.741  1.765     .  0 0 "[    .    1    .    2]" 1 
        17 1 14 VAL QG  1 16 ARG HD2 2.400     .  5.500 4.487 2.444  5.459     .  0 0 "[    .    1    .    2]" 1 
        18 1 14 VAL MG2 1 16 ARG HG3 2.300     .  5.500 3.213 1.760  4.000     .  0 0 "[    .    1    .    2]" 1 
        19 1 16 ARG H   1 17 GLY H   5.000 3.000 55.000 3.176 2.889  4.257 0.111  8 0 "[    .    1    .    2]" 1 
        20 1 16 ARG HA  1 16 ARG HB2 2.200     .  2.800 2.858 2.494  3.025 0.225 17 0 "[    .    1    .    2]" 1 
        21 1 16 ARG HA  1 16 ARG HB3 2.200     .  2.800 2.412 2.178  2.612     .  0 0 "[    .    1    .    2]" 1 
        22 1 16 ARG HA  1 17 GLY H   5.000 3.000 55.000 3.135 2.920  3.573 0.080 13 0 "[    .    1    .    2]" 1 
        23 1 16 ARG HB2 1 16 ARG HD3 1.900     .  2.400 2.271 1.813  3.149 0.749 20 2 "[    .    1    . -  +]" 1 
        24 1 16 ARG HB3 1 16 ARG HD3 2.400     .  3.100 2.237 1.824  2.991     .  0 0 "[    .    1    .    2]" 1 
        25 1 16 ARG HD2 1 16 ARG HG2 2.000     .  2.500 1.935 1.866  2.007     .  0 0 "[    .    1    .    2]" 1 
        26 1 17 GLY H   1 18 SER H   5.000 3.000 55.000 4.113 3.005  4.627     .  0 0 "[    .    1    .    2]" 1 
        27 1 18 SER H   1 19 HIS H   5.000 3.000 55.000 3.335 2.949  4.268 0.051 10 0 "[    .    1    .    2]" 1 
        28 1 18 SER HA  1 18 SER QB  2.200     .  2.800 2.389 2.162  2.544     .  0 0 "[    .    1    .    2]" 1 
        29 1 18 SER HA  1 19 HIS H   5.000 3.000 55.000 3.199 2.907  3.575 0.093 13 0 "[    .    1    .    2]" 1 
        30 1 19 HIS H   1 20 MET H   5.000 3.000 55.000 3.249 2.949  4.263 0.051  9 0 "[    .    1    .    2]" 1 
        31 1 19 HIS HA  1 20 MET H   5.000 3.000 55.000 3.253 2.941  3.571 0.059  8 0 "[    .    1    .    2]" 1 
        32 1 20 MET HA  1 21 ALA H   2.700     .  3.600 2.815 2.141  3.574     .  0 0 "[    .    1    .    2]" 1 
        33 1 21 ALA H   1 21 ALA MB  2.700     .  3.600 2.141 2.026  2.295     .  0 0 "[    .    1    .    2]" 1 
        34 1 21 ALA HA  1 21 ALA MB  1.700     .  2.200 2.002 1.966  2.037     .  0 0 "[    .    1    .    2]" 1 
        35 1 21 ALA HA  1 22 LYS H   2.300     .  2.900 2.431 2.155  2.693     .  0 0 "[    .    1    .    2]" 1 
        36 1 21 ALA HA  1 22 LYS QE  2.300     .  5.500 4.860 3.897  5.481     .  0 0 "[    .    1    .    2]" 1 
        37 1 21 ALA MB  1 22 LYS H   2.900     .  4.000 2.622 1.898  3.718     .  0 0 "[    .    1    .    2]" 1 
        38 1 21 ALA MB  1 23 TYR H   2.900     .  4.000 3.304 2.300  4.090 0.090 15 0 "[    .    1    .    2]" 1 
        39 1 22 LYS H   1 22 LYS HA  3.000     .  4.100 2.900 2.833  2.915     .  0 0 "[    .    1    .    2]" 1 
        40 1 22 LYS H   1 22 LYS HB2 2.600     .  5.500 2.604 2.119  3.510     .  0 0 "[    .    1    .    2]" 1 
        41 1 22 LYS H   1 22 LYS HD2 3.500     .  5.000 4.127 2.617  5.236 0.236  1 0 "[    .    1    .    2]" 1 
        42 1 22 LYS H   1 23 TYR H   2.800     .  3.800 3.419 2.696  3.836 0.036  8 0 "[    .    1    .    2]" 1 
        43 1 22 LYS HA  1 22 LYS HB2 2.400     .  3.100 2.983 2.667  3.024     .  0 0 "[    .    1    .    2]" 1 
        44 1 22 LYS HA  1 22 LYS HB3 2.400     .  3.100 2.441 2.284  2.727     .  0 0 "[    .    1    .    2]" 1 
        45 1 22 LYS HA  1 22 LYS QG  2.500     .  3.300 2.557 2.150  3.262     .  0 0 "[    .    1    .    2]" 1 
        46 1 22 LYS HA  1 23 TYR H   2.300     .  2.900 2.690 2.352  3.335 0.435 20 0 "[    .    1    .    2]" 1 
        47 1 22 LYS HB2 1 22 LYS QD  2.100     .  2.700 2.437 1.992  3.192 0.492  1 0 "[    .    1    .    2]" 1 
        48 1 22 LYS HB2 1 22 LYS QG  1.800     .  2.200 2.102 1.963  2.218 0.018 12 0 "[    .    1    .    2]" 1 
        49 1 22 LYS HB2 1 22 LYS HG3 2.100     .  2.700 1.870 1.793  1.939     .  0 0 "[    .    1    .    2]" 1 
        50 1 22 LYS HB2 1 23 TYR H   2.800     .  5.500 4.086 1.523  4.559     .  0 0 "[    .    1    .    2]" 1 
        51 1 22 LYS HB3 1 22 LYS QE  1.900     .  5.500 3.836 2.615  4.312     .  0 0 "[    .    1    .    2]" 1 
        52 1 22 LYS HB3 1 22 LYS QG  2.000     .  2.500 2.301 2.143  2.522 0.022 16 0 "[    .    1    .    2]" 1 
        53 1 22 LYS HB3 1 22 LYS HG2 2.100     .  2.700 1.814 1.788  1.852     .  0 0 "[    .    1    .    2]" 1 
        54 1 22 LYS HB3 1 22 LYS HG2 2.000     .  2.500 1.766 1.696  1.821     .  0 0 "[    .    1    .    2]" 1 
        55 1 22 LYS HD2 1 22 LYS HE2 2.400     .  3.100 2.239 2.026  2.374     .  0 0 "[    .    1    .    2]" 1 
        56 1 22 LYS QD  1 22 LYS HG2 1.800     .  2.200 1.906 1.854  1.981     .  0 0 "[    .    1    .    2]" 1 
        57 1 22 LYS QE  1 22 LYS HG2 2.000     .  2.500 2.326 1.987  2.942 0.442 10 0 "[    .    1    .    2]" 1 
        58 1 22 LYS QG  1 23 TYR H   3.700     .  5.400 4.374 3.491  4.614     .  0 0 "[    .    1    .    2]" 1 
        59 1 23 TYR H   1 23 TYR QB  3.200     .  3.400 2.426 2.114  2.927     .  0 0 "[    .    1    .    2]" 1 
        60 1 23 TYR H   1 23 TYR QD  3.500     .  5.000 3.105 2.460  4.110     .  0 0 "[    .    1    .    2]" 1 
        61 1 23 TYR H   1 24 GLN H   5.000 3.000 55.000 3.809 2.989  4.606 0.011 13 0 "[    .    1    .    2]" 1 
        62 1 23 TYR HA  1 24 GLN H   2.400     .  3.100 2.491 2.137  2.887     .  0 0 "[    .    1    .    2]" 1 
        63 1 23 TYR HA  1 55 ILE MG  1.900     .  5.500 3.164 2.400  3.687     .  0 0 "[    .    1    .    2]" 1 
        64 1 23 TYR QB  1 24 GLN H   3.200     .  4.500 3.503 1.869  4.025 0.031 19 0 "[    .    1    .    2]" 1 
        65 1 23 TYR QB  1 25 VAL QG  2.400     .  5.500 3.739 1.965  5.177     .  0 0 "[    .    1    .    2]" 1 
        66 1 23 TYR QD  1 24 GLN H   3.500     .  5.000 4.213 2.440  4.996     .  0 0 "[    .    1    .    2]" 1 
        67 1 24 GLN H   1 24 GLN HB2 2.900     .  4.000 2.260 2.097  2.493     .  0 0 "[    .    1    .    2]" 1 
        68 1 24 GLN H   1 24 GLN HB3 3.000     .  4.100 3.200 2.858  3.514     .  0 0 "[    .    1    .    2]" 1 
        69 1 24 GLN H   1 24 GLN QG  3.000     .  4.100 3.715 3.235  4.036     .  0 0 "[    .    1    .    2]" 1 
        70 1 24 GLN H   1 25 VAL H   5.000 3.000 55.000 3.972 3.472  4.615     .  0 0 "[    .    1    .    2]" 1 
        71 1 24 GLN H   1 55 ILE MG  3.300     .  4.700 4.229 3.340  4.732 0.032 19 0 "[    .    1    .    2]" 1 
        72 1 24 GLN HA  1 24 GLN QG  1.700     .  2.200 2.072 1.997  2.165     .  0 0 "[    .    1    .    2]" 1 
        73 1 24 GLN HA  1 25 VAL H   2.000     .  2.500 2.369 2.137  2.773 0.273 19 0 "[    .    1    .    2]" 1 
        74 1 24 GLN HA  1 25 VAL HA  2.200     .  5.500 3.861 3.729  3.995     .  0 0 "[    .    1    .    2]" 1 
        75 1 24 GLN HA  1 55 ILE MG  2.300     .  3.000 2.839 2.303  3.525 0.525 12 1 "[    .    1 +  .    2]" 1 
        76 1 24 GLN QB  1 24 GLN QG  1.800     .  2.200 1.891 1.846  1.948     .  0 0 "[    .    1    .    2]" 1 
        77 1 24 GLN HB2 1 24 GLN QG  2.000     .  2.500 2.031 1.908  2.171     .  0 0 "[    .    1    .    2]" 1 
        78 1 25 VAL H   1 25 VAL HA  3.000     .  4.100 2.853 2.728  2.898     .  0 0 "[    .    1    .    2]" 1 
        79 1 25 VAL H   1 25 VAL HB  2.300     .  3.000 2.559 2.446  2.677     .  0 0 "[    .    1    .    2]" 1 
        80 1 25 VAL H   1 25 VAL QG  3.100     .  3.100 2.217 1.883  2.416 0.017 19 0 "[    .    1    .    2]" 1 
        81 1 25 VAL H   1 26 THR H   5.000 3.000 55.000 4.590 4.541  4.641     .  0 0 "[    .    1    .    2]" 1 
        82 1 25 VAL HA  1 25 VAL HB  2.200     .  2.800 2.781 2.306  2.914 0.114 12 0 "[    .    1    .    2]" 1 
        83 1 25 VAL HA  1 25 VAL QG  1.900     .  2.400 2.110 2.029  2.400     .  0 0 "[    .    1    .    2]" 1 
        84 1 25 VAL HA  1 25 VAL QG  2.300     .  3.000 2.056 1.949  2.311     .  0 0 "[    .    1    .    2]" 1 
        85 1 25 VAL HA  1 26 THR H   2.200     .  2.800 2.220 2.152  2.312     .  0 0 "[    .    1    .    2]" 1 
        86 1 25 VAL HA  1 26 THR HA  2.300     .  5.500 4.373 4.361  4.402     .  0 0 "[    .    1    .    2]" 1 
        87 1 25 VAL HA  1 27 LYS H   3.400     .  4.800 4.451 4.077  4.809 0.009  4 0 "[    .    1    .    2]" 1 
        88 1 25 VAL HA  1 55 ILE HB  1.800     .  2.200 2.092 1.846  2.199     .  0 0 "[    .    1    .    2]" 1 
        89 1 25 VAL HA  1 55 ILE HA  2.900     .  5.500 4.702 3.967  4.950     .  0 0 "[    .    1    .    2]" 1 
        90 1 25 VAL HB  1 25 VAL QG  1.800     .  2.200 1.875 1.860  1.895     .  0 0 "[    .    1    .    2]" 1 
        91 1 25 VAL QG  1 26 THR H   3.200     .  3.600 2.156 1.790  2.613 0.110 12 0 "[    .    1    .    2]" 1 
        92 1 25 VAL QG  1 26 THR HA  2.400     .  5.500 3.634 3.409  3.758     .  0 0 "[    .    1    .    2]" 1 
        93 1 25 VAL QG  1 27 LYS H   2.500     .  3.300 2.842 2.248  3.199     .  0 0 "[    .    1    .    2]" 1 
        94 1 25 VAL QG  1 94 TYR HB2 2.400     .  5.500 5.287 5.054  5.429     .  0 0 "[    .    1    .    2]" 1 
        95 1 25 VAL QG  1 56 LEU HA  1.800     .  2.200 1.924 1.595  2.158     .  0 0 "[    .    1    .    2]" 1 
        96 1 25 VAL QG  1 94 TYR HB2 2.500     .  5.500 5.367 4.825  5.950 0.450  7 0 "[    .    1    .    2]" 1 
        97 1 26 THR H   1 26 THR HA  3.000     .  4.100 2.930 2.923  2.944     .  0 0 "[    .    1    .    2]" 1 
        98 1 26 THR H   1 26 THR HB  2.600     .  3.400 2.934 2.685  3.153     .  0 0 "[    .    1    .    2]" 1 
        99 1 26 THR H   1 26 THR MG  3.200     .  4.500 3.770 3.645  3.842     .  0 0 "[    .    1    .    2]" 1 
       100 1 26 THR H   1 27 LYS H   2.400     .  3.100 2.417 2.085  2.661     .  0 0 "[    .    1    .    2]" 1 
       101 1 26 THR H   1 55 ILE H   2.700     .  3.700 3.572 3.132  3.737 0.037 12 0 "[    .    1    .    2]" 1 
       102 1 26 THR H   1 55 ILE H   3.000     .  4.100 3.304 2.784  3.482     .  0 0 "[    .    1    .    2]" 1 
       103 1 26 THR H   1 55 ILE HB  2.500     .  3.300 2.830 1.816  3.446 0.146 16 0 "[    .    1    .    2]" 1 
       104 1 26 THR H   1 56 LEU QD  3.000     .  4.100 3.399 1.606  4.029 0.294 16 0 "[    .    1    .    2]" 1 
       105 1 26 THR HA  1 26 THR MG  1.700     .  2.200 2.129 2.007  2.208 0.008  6 0 "[    .    1    .    2]" 1 
       106 1 26 THR HA  1 27 LYS H   2.800     .  3.600 3.573 3.535  3.587     .  0 0 "[    .    1    .    2]" 1 
       107 1 26 THR HA  1 55 ILE MD  2.300     .  5.500 4.488 3.488  5.138     .  0 0 "[    .    1    .    2]" 1 
       108 1 26 THR HB  1 26 THR MG  1.800     .  2.200 2.085 2.070  2.117     .  0 0 "[    .    1    .    2]" 1 
       109 1 26 THR HB  1 27 LYS HB2 2.300     .  3.000 2.920 2.731  3.020 0.020 11 0 "[    .    1    .    2]" 1 
       110 1 26 THR HB  1 27 LYS HB3 2.200     .  5.500 3.135 2.768  3.332     .  0 0 "[    .    1    .    2]" 1 
       111 1 26 THR HB  1 54 GLU QG  1.900     .  5.500 4.487 3.760  5.045     .  0 0 "[    .    1    .    2]" 1 
       112 1 26 THR HB  1 54 GLU QG  2.500     .  5.500 4.610 3.812  5.102     .  0 0 "[    .    1    .    2]" 1 
       113 1 26 THR HB  1 55 ILE H   3.200     .  4.500 3.532 2.873  4.063     .  0 0 "[    .    1    .    2]" 1 
       114 1 26 THR HB  1 56 LEU QD  1.900     .  2.400 2.076 1.559  2.346     .  0 0 "[    .    1    .    2]" 1 
       115 1 26 THR HB  1 56 LEU QD  2.500     .  3.300 2.554 1.609  2.886 0.091 11 0 "[    .    1    .    2]" 1 
       116 1 26 THR MG  1 27 LYS H   3.300     .  4.700 3.430 3.174  3.604     .  0 0 "[    .    1    .    2]" 1 
       117 1 27 LYS H   1 27 LYS HB2 2.700     .  3.600 2.576 2.300  2.894     .  0 0 "[    .    1    .    2]" 1 
       118 1 27 LYS H   1 54 GLU HB3 3.000     .  5.500 5.542 5.509  5.592 0.092 16 0 "[    .    1    .    2]" 1 
       119 1 27 LYS H   1 56 LEU HA  3.000     .  4.100 2.935 2.664  3.313     .  0 0 "[    .    1    .    2]" 1 
       120 1 27 LYS H   1 56 LEU QD  3.300     .  4.700 2.251 1.584  2.893 0.316 16 0 "[    .    1    .    2]" 1 
       121 1 27 LYS H   1 57 GLU H   3.500 2.500  4.500 4.524 4.495  4.551 0.051 10 0 "[    .    1    .    2]" 1 
       122 1 27 LYS HA  1 27 LYS HB2 1.900     .  2.400 2.270 2.137  2.372     .  0 0 "[    .    1    .    2]" 1 
       123 1 27 LYS HA  1 27 LYS HB3 2.000     .  2.500 2.309 2.192  2.388     .  0 0 "[    .    1    .    2]" 1 
       124 1 27 LYS HA  1 27 LYS QG  2.000     .  2.500 2.161 2.000  2.491     .  0 0 "[    .    1    .    2]" 1 
       125 1 27 LYS HA  1 28 THR H   2.100     .  2.700 2.313 2.156  2.470     .  0 0 "[    .    1    .    2]" 1 
       126 1 27 LYS HA  1 56 LEU QD  2.900     .  4.000 2.782 2.279  3.275     .  0 0 "[    .    1    .    2]" 1 
       127 1 27 LYS HB2 1 27 LYS HG3 2.100     .  2.700 2.169 2.132  2.347     .  0 0 "[    .    1    .    2]" 1 
       128 1 27 LYS HB2 1 27 LYS QG  1.800     .  2.200 2.241 2.129  2.521 0.321 15 0 "[    .    1    .    2]" 1 
       129 1 27 LYS HB2 1 56 LEU QD  1.900     .  2.400 1.945 1.592  2.407 0.007  9 0 "[    .    1    .    2]" 1 
       130 1 27 LYS HB2 1 56 LEU QD  1.600     .  2.200 1.786 1.544  1.993     .  0 0 "[    .    1    .    2]" 1 
       131 1 27 LYS HB2 1 56 LEU QD  1.700     .  2.200 1.932 1.610  2.138     .  0 0 "[    .    1    .    2]" 1 
       132 1 27 LYS HB3 1 27 LYS HD2 1.700     .  2.200 2.020 1.842  2.421 0.221 14 0 "[    .    1    .    2]" 1 
       133 1 27 LYS HB3 1 27 LYS HD2 1.800     .  2.200 2.116 1.836  2.503 0.303 13 0 "[    .    1    .    2]" 1 
       134 1 27 LYS HB3 1 56 LEU QD  2.200     .  2.800 2.126 1.771  2.704     .  0 0 "[    .    1    .    2]" 1 
       135 1 27 LYS QD  1 28 THR H   2.900     .  4.000 3.181 1.882  4.013 0.013 12 0 "[    .    1    .    2]" 1 
       136 1 27 LYS QG  1 28 THR HB  2.300     .  5.500 4.533 4.014  5.112     .  0 0 "[    .    1    .    2]" 1 
       137 1 27 LYS O   1 57 GLU H   2.000     .  2.500 2.292 2.090  2.591 0.091 16 0 "[    .    1    .    2]" 1 
       138 1 28 THR H   1 28 THR HB  2.500     .  3.300 2.744 2.579  2.839     .  0 0 "[    .    1    .    2]" 1 
       139 1 28 THR H   1 28 THR MG  2.600     .  5.500 3.908 3.840  3.949     .  0 0 "[    .    1    .    2]" 1 
       140 1 28 THR H   1 56 LEU QB  2.900     .  5.500 5.048 4.036  5.563 0.063 19 0 "[    .    1    .    2]" 1 
       141 1 28 THR H   1 56 LEU QD  3.500     .  5.000 4.395 3.977  4.821     .  0 0 "[    .    1    .    2]" 1 
       142 1 28 THR HA  1 28 THR MG  1.900     .  2.400 2.402 2.358  2.447 0.047  9 0 "[    .    1    .    2]" 1 
       143 1 28 THR HA  1 29 LEU H   2.000     .  2.500 2.165 2.134  2.292     .  0 0 "[    .    1    .    2]" 1 
       144 1 28 THR HA  1 56 LEU QD  2.600     .  5.500 3.232 3.037  3.590     .  0 0 "[    .    1    .    2]" 1 
       145 1 28 THR HA  1 57 GLU H   2.900     .  4.000 2.409 2.002  2.921     .  0 0 "[    .    1    .    2]" 1 
       146 1 28 THR HB  1 28 THR MG  1.700     .  2.200 2.104 2.069  2.117     .  0 0 "[    .    1    .    2]" 1 
       147 1 28 THR HB  1 29 LEU H   3.500     .  5.000 4.215 3.750  4.383     .  0 0 "[    .    1    .    2]" 1 
       148 1 28 THR MG  1 29 LEU H   2.400     .  3.100 2.762 2.138  3.093     .  0 0 "[    .    1    .    2]" 1 
       149 1 28 THR MG  1 57 GLU QG  1.800     .  2.200 1.765 1.642  1.843     .  0 0 "[    .    1    .    2]" 1 
       150 1 28 THR MG  1 30 ASP H   3.000     .  4.100 4.038 3.650  4.129 0.029  3 0 "[    .    1    .    2]" 1 
       151 1 28 THR MG  1 30 ASP HB3 2.300     .  5.500 3.607 3.059  4.399     .  0 0 "[    .    1    .    2]" 1 
       152 1 28 THR MG  1 57 GLU H   3.100     .  4.300 3.263 3.054  3.551     .  0 0 "[    .    1    .    2]" 1 
       153 1 28 THR MG  1 57 GLU QG  2.100     .  2.700 2.400 1.798  2.684     .  0 0 "[    .    1    .    2]" 1 
       154 1 28 THR MG  1 57 GLU QG  2.000     .  2.500 1.959 1.699  2.050     .  0 0 "[    .    1    .    2]" 1 
       155 1 29 LEU H   1 29 LEU HB3 2.500     .  3.300 2.692 2.598  2.934     .  0 0 "[    .    1    .    2]" 1 
       156 1 29 LEU H   1 29 LEU HG  3.200     .  4.500 4.523 4.395  4.586 0.086  5 0 "[    .    1    .    2]" 1 
       157 1 29 LEU H   1 56 LEU QD  2.700     .  5.500 4.549 3.542  5.286     .  0 0 "[    .    1    .    2]" 1 
       158 1 29 LEU H   1 57 GLU H   3.300 2.300  4.300 3.508 2.837  3.934     .  0 0 "[    .    1    .    2]" 1 
       159 1 29 LEU H   1 57 GLU O   2.000     .  2.500 2.009 1.835  2.186     .  0 0 "[    .    1    .    2]" 1 
       160 1 29 LEU H   1 58 VAL HA  2.900     .  4.000 2.962 2.547  3.310     .  0 0 "[    .    1    .    2]" 1 
       161 1 29 LEU H   1 58 VAL QG  2.700     .  3.600 3.431 3.087  3.711 0.111 17 0 "[    .    1    .    2]" 1 
       162 1 29 LEU H   1 59 TRP H   3.300 2.300  4.300 4.347 4.231  4.401 0.101 10 0 "[    .    1    .    2]" 1 
       163 1 29 LEU HA  1 29 LEU HB2 2.000     .  2.500 2.075 2.043  2.129     .  0 0 "[    .    1    .    2]" 1 
       164 1 29 LEU HA  1 29 LEU QD  2.800     .  3.800 2.808 2.094  3.043     .  0 0 "[    .    1    .    2]" 1 
       165 1 29 LEU HA  1 29 LEU QD  1.700     .  5.500 2.696 2.078  2.973     .  0 0 "[    .    1    .    2]" 1 
       166 1 29 LEU HA  1 29 LEU HG  2.100     .  2.700 2.422 2.153  2.747 0.047  8 0 "[    .    1    .    2]" 1 
       167 1 29 LEU HA  1 29 LEU HG  2.100     .  2.700 2.285 2.042  2.616     .  0 0 "[    .    1    .    2]" 1 
       168 1 29 LEU HA  1 30 ASP H   2.000     .  2.500 2.141 2.126  2.177     .  0 0 "[    .    1    .    2]" 1 
       169 1 29 LEU HA  1 30 ASP HB3 1.900     .  5.500 4.971 4.528  5.323     .  0 0 "[    .    1    .    2]" 1 
       170 1 29 LEU HB2 1 29 LEU QD  1.800     .  2.200 1.838 1.774  1.898     .  0 0 "[    .    1    .    2]" 1 
       171 1 29 LEU HB3 1 29 LEU QD  2.100     .  2.700 1.858 1.774  1.965     .  0 0 "[    .    1    .    2]" 1 
       172 1 29 LEU HB3 1 58 VAL HA  1.900     .  5.500 2.596 2.001  2.853     .  0 0 "[    .    1    .    2]" 1 
       173 1 29 LEU HB3 1 58 VAL QG  1.700     .  2.200 1.724 1.583  2.014     .  0 0 "[    .    1    .    2]" 1 
       174 1 29 LEU HB3 1 59 TRP H   3.100     .  4.300 4.026 2.689  4.319 0.019  3 0 "[    .    1    .    2]" 1 
       175 1 29 LEU QD  1 29 LEU HG  1.800     .  2.200 1.879 1.870  1.891     .  0 0 "[    .    1    .    2]" 1 
       176 1 29 LEU QD  1 29 LEU HG  1.800     .  2.200 1.668 1.659  1.685     .  0 0 "[    .    1    .    2]" 1 
       177 1 29 LEU QD  1 30 ASP H   2.500     .  3.300 3.247 3.220  3.297     .  0 0 "[    .    1    .    2]" 1 
       178 1 29 LEU QD  1 30 ASP HB2 2.100     .  5.500 4.392 4.103  4.669     .  0 0 "[    .    1    .    2]" 1 
       179 1 29 LEU QD  1 43 THR HA  2.500     .  3.300 2.778 1.749  3.291     .  0 0 "[    .    1    .    2]" 1 
       180 1 29 LEU HG  1 30 ASP H   3.400     .  4.800 3.138 2.755  3.704     .  0 0 "[    .    1    .    2]" 1 
       181 1 29 LEU HG  1 31 VAL H   3.600     .  5.200 5.018 3.909  5.224 0.024  9 0 "[    .    1    .    2]" 1 
       182 1 29 LEU HG  1 58 VAL HA  2.800     .  5.500 4.229 3.917  4.513     .  0 0 "[    .    1    .    2]" 1 
       183 1 29 LEU O   1 59 TRP H   2.000     .  2.500 2.051 1.829  2.491     .  0 0 "[    .    1    .    2]" 1 
       184 1 30 ASP H   1 30 ASP HB3 2.500     .  5.500 3.363 2.609  3.742     .  0 0 "[    .    1    .    2]" 1 
       185 1 30 ASP HA  1 30 ASP HB2 2.500     .  3.300 2.636 2.420  2.829     .  0 0 "[    .    1    .    2]" 1 
       186 1 30 ASP HA  1 30 ASP HB3 2.000     .  2.500 2.381 2.238  3.028 0.528 18 2 "[    .    1 -  .  + 2]" 1 
       187 1 30 ASP HA  1 31 VAL H   2.200     .  2.800 2.156 2.132  2.270     .  0 0 "[    .    1    .    2]" 1 
       188 1 30 ASP HA  1 31 VAL MG2 2.400     .  3.100 2.922 2.660  3.150 0.050  4 0 "[    .    1    .    2]" 1 
       189 1 30 ASP HA  1 32 ARG H   3.600     .  5.200 4.304 3.435  4.751     .  0 0 "[    .    1    .    2]" 1 
       190 1 30 ASP HA  1 59 TRP H   2.900     .  4.000 2.758 2.429  3.320     .  0 0 "[    .    1    .    2]" 1 
       191 1 30 ASP HB2 1 31 VAL HA  2.200     .  5.500 3.805 3.571  3.924     .  0 0 "[    .    1    .    2]" 1 
       192 1 30 ASP HB3 1 31 VAL H   3.200     .  4.500 4.165 3.806  4.409     .  0 0 "[    .    1    .    2]" 1 
       193 1 30 ASP HB3 1 59 TRP H   2.700     .  5.500 4.121 3.162  5.815 0.315 18 0 "[    .    1    .    2]" 1 
       194 1 30 ASP HB3 1 92 LYS HD2 2.000     .  5.500 3.597 2.661  4.197     .  0 0 "[    .    1    .    2]" 1 
       195 1 31 VAL H   1 31 VAL MG2 2.200     .  2.800 2.023 1.638  2.502     .  0 0 "[    .    1    .    2]" 1 
       196 1 31 VAL H   1 32 ARG H   2.500     .  3.300 3.046 1.905  3.351 0.051 18 0 "[    .    1    .    2]" 1 
       197 1 31 VAL H   1 59 TRP H   3.000     .  4.000 3.956 3.537  4.045 0.045 15 0 "[    .    1    .    2]" 1 
       198 1 31 VAL H   1 59 TRP O   2.000     .  2.500 2.517 2.325  2.559 0.059 17 0 "[    .    1    .    2]" 1 
       199 1 31 VAL HA  1 31 VAL MG1 1.800     .  2.200 2.297 1.914  3.199 0.999  6 4 "[   *.+   1    .  * -]" 1 
       200 1 31 VAL HA  1 31 VAL MG1 2.300     .  3.000 2.153 1.859  2.833     .  0 0 "[    .    1    .    2]" 1 
       201 1 31 VAL HA  1 32 ARG H   2.600     .  3.400 2.607 2.354  3.450 0.050 13 0 "[    .    1    .    2]" 1 
       202 1 31 VAL QG  1 32 ARG H   3.200     .  4.500 3.606 3.396  3.751     .  0 0 "[    .    1    .    2]" 1 
       203 1 31 VAL MG1 1 38 VAL HB  1.600     .  5.500 3.326 2.771  4.164     .  0 0 "[    .    1    .    2]" 1 
       204 1 32 ARG H   1 33 GLY H   5.000 3.000 55.000 3.474 2.880  4.550 0.120 13 0 "[    .    1    .    2]" 1 
       205 1 32 ARG H   1 60 ILE MG  3.300     .  4.700 3.843 2.604  4.616     .  0 0 "[    .    1    .    2]" 1 
       206 1 32 ARG HA  1 33 GLY H   2.600     .  3.400 3.307 2.640  3.532 0.132 16 0 "[    .    1    .    2]" 1 
       207 1 32 ARG HA  1 61 ASP H   3.500     .  5.000 4.475 3.261  5.032 0.032 13 0 "[    .    1    .    2]" 1 
       208 1 33 GLY H   1 33 GLY HA2 2.600     .  3.400 2.857 2.793  2.896     .  0 0 "[    .    1    .    2]" 1 
       209 1 33 GLY H   1 33 GLY HA3 2.300     .  3.000 2.309 2.294  2.326     .  0 0 "[    .    1    .    2]" 1 
       210 1 33 GLY H   1 34 GLU H   3.100     .  4.300 3.993 2.831  4.372 0.072 15 0 "[    .    1    .    2]" 1 
       211 1 33 GLY QA  1 34 GLU H   3.000     .  4.000 2.257 2.138  2.929     .  0 0 "[    .    1    .    2]" 1 
       212 1 33 GLY HA2 1 34 GLU H   3.500     .  5.000 2.572 2.179  3.525     .  0 0 "[    .    1    .    2]" 1 
       213 1 33 GLY HA3 1 34 GLU H   3.000     .  4.100 3.101 2.162  3.533     .  0 0 "[    .    1    .    2]" 1 
       214 1 34 GLU H   1 34 GLU QB  2.500     .  3.300 2.474 2.102  2.820     .  0 0 "[    .    1    .    2]" 1 
       215 1 34 GLU H   1 34 GLU QG  2.400     .  3.100 2.721 2.057  3.332 0.232 15 0 "[    .    1    .    2]" 1 
       216 1 34 GLU H   1 35 VAL H   5.000 3.000 55.000 4.392 2.935  4.592 0.065 14 0 "[    .    1    .    2]" 1 
       217 1 34 GLU HA  1 34 GLU QB  2.000     .  2.500 2.271 2.148  2.511 0.011 19 0 "[    .    1    .    2]" 1 
       218 1 34 GLU HA  1 35 VAL H   2.400     .  3.100 2.525 2.102  3.025     .  0 0 "[    .    1    .    2]" 1 
       219 1 34 GLU HA  1 35 VAL HA  2.000     .  5.500 3.797 3.583  3.968     .  0 0 "[    .    1    .    2]" 1 
       220 1 34 GLU HA  1 35 VAL MG2 2.200     .  2.800 2.802 2.617  3.315 0.515 17 1 "[    .    1    . +  2]" 1 
       221 1 34 GLU QB  1 34 GLU HG2 1.900     .  2.400 2.106 2.070  2.127     .  0 0 "[    .    1    .    2]" 1 
       222 1 34 GLU QB  1 35 VAL H   3.100     .  4.300 2.482 1.859  4.018 0.041 16 0 "[    .    1    .    2]" 1 
       223 1 34 GLU QG  1 35 VAL H   2.600     .  3.400 3.064 2.395  3.376     .  0 0 "[    .    1    .    2]" 1 
       224 1 34 GLU QG  1 35 VAL HA  1.700     .  5.500 2.640 2.388  2.901     .  0 0 "[    .    1    .    2]" 1 
       225 1 34 GLU QG  1 35 VAL HA  2.500     .  3.300 2.933 2.681  3.224     .  0 0 "[    .    1    .    2]" 1 
       226 1 35 VAL H   1 35 VAL HB  3.300     .  4.700 3.337 2.853  3.838     .  0 0 "[    .    1    .    2]" 1 
       227 1 35 VAL H   1 35 VAL MG1 2.800     .  5.500 3.580 1.839  3.954     .  0 0 "[    .    1    .    2]" 1 
       228 1 35 VAL H   1 35 VAL MG2 2.300     .  3.000 2.235 1.671  3.797 0.797 20 1 "[    .    1    .    +]" 1 
       229 1 35 VAL H   1 36 CYS H   5.000 3.000 55.000 3.678 2.955  4.464 0.045 12 0 "[    .    1    .    2]" 1 
       230 1 35 VAL HA  1 35 VAL HB  2.100     .  2.700 2.766 2.204  2.968 0.268 19 0 "[    .    1    .    2]" 1 
       231 1 35 VAL HA  1 35 VAL MG1 2.200     .  2.800 2.140 1.886  3.097 0.297 20 0 "[    .    1    .    2]" 1 
       232 1 35 VAL HA  1 35 VAL MG2 2.200     .  2.800 2.853 2.470  3.135 0.335 11 0 "[    .    1    .    2]" 1 
       233 1 35 VAL HA  1 35 VAL MG2 2.600     .  3.400 2.147 1.738  2.416 0.062 17 0 "[    .    1    .    2]" 1 
       234 1 35 VAL HA  1 36 CYS H   2.500     .  3.300 3.064 2.216  3.487 0.187 12 0 "[    .    1    .    2]" 1 
       235 1 35 VAL HA  1 38 VAL HB  2.000     .  5.500 4.680 3.005  5.517 0.017 12 0 "[    .    1    .    2]" 1 
       236 1 35 VAL HB  1 35 VAL MG1 1.600     .  2.200 1.849 1.766  1.889     .  0 0 "[    .    1    .    2]" 1 
       237 1 35 VAL HB  1 35 VAL MG1 1.900     .  2.400 1.752 1.739  1.766     .  0 0 "[    .    1    .    2]" 1 
       238 1 35 VAL HB  1 35 VAL MG2 2.000     .  2.500 1.652 1.615  1.675     .  0 0 "[    .    1    .    2]" 1 
       239 1 35 VAL HB  1 35 VAL MG2 2.100     .  2.700 1.819 1.748  1.861     .  0 0 "[    .    1    .    2]" 1 
       240 1 35 VAL HB  1 36 CYS H   2.500     .  3.300 2.034 1.630  3.436 0.136 20 0 "[    .    1    .    2]" 1 
       241 1 35 VAL MG1 1 35 VAL MG2 2.000     .  2.500 2.011 1.886  2.096     .  0 0 "[    .    1    .    2]" 1 
       242 1 35 VAL MG1 1 35 VAL MG2 2.000     .  2.500 1.792 1.692  1.866     .  0 0 "[    .    1    .    2]" 1 
       243 1 35 VAL MG1 1 35 VAL MG2 1.600     .  2.200 1.796 1.728  1.847     .  0 0 "[    .    1    .    2]" 1 
       244 1 35 VAL MG1 1 36 CYS H   3.100     .  4.300 2.838 1.616  4.276 0.284 20 0 "[    .    1    .    2]" 1 
       245 1 36 CYS H   1 38 VAL HB  3.100     .  5.500 5.381 5.028  5.549 0.049  3 0 "[    .    1    .    2]" 1 
       246 1 36 CYS HA  1 38 VAL H   2.900     .  4.000 3.559 2.078  4.029 0.029 16 0 "[    .    1    .    2]" 1 
       247 1 37 PRO O   1 41 VAL H   2.000     .  2.500 2.445 2.148  2.534 0.034  1 0 "[    .    1    .    2]" 1 
       248 1 38 VAL H   1 38 VAL HA  2.800     .  3.800 2.803 2.764  2.829     .  0 0 "[    .    1    .    2]" 1 
       249 1 38 VAL H   1 38 VAL HB  2.500     .  3.300 2.630 2.312  2.719     .  0 0 "[    .    1    .    2]" 1 
       250 1 38 VAL H   1 38 VAL MG1 3.100     .  4.300 3.767 3.703  3.783     .  0 0 "[    .    1    .    2]" 1 
       251 1 38 VAL H   1 38 VAL MG2 2.300     .  3.000 2.100 1.790  2.620     .  0 0 "[    .    1    .    2]" 1 
       252 1 38 VAL HA  1 38 VAL MG1 2.600     .  3.400 2.311 2.166  2.575     .  0 0 "[    .    1    .    2]" 1 
       253 1 38 VAL HA  1 38 VAL MG2 2.100     .  2.700 2.375 2.058  2.523     .  0 0 "[    .    1    .    2]" 1 
       254 1 38 VAL HA  1 38 VAL MG2 2.000     .  2.500 1.990 1.872  2.108     .  0 0 "[    .    1    .    2]" 1 
       255 1 38 VAL HA  1 41 VAL H   3.100     .  4.300 3.930 3.567  4.221     .  0 0 "[    .    1    .    2]" 1 
       256 1 38 VAL HA  1 41 VAL HB  2.600     .  5.500 4.066 3.594  4.493     .  0 0 "[    .    1    .    2]" 1 
       257 1 38 VAL HB  1 38 VAL MG1 2.000     .  2.500 2.105 2.084  2.128     .  0 0 "[    .    1    .    2]" 1 
       258 1 38 VAL HB  1 38 VAL MG2 2.000     .  2.500 2.105 2.084  2.127     .  0 0 "[    .    1    .    2]" 1 
       259 1 38 VAL MG1 1 38 VAL MG2 2.000     .  2.500 1.994 1.900  2.096     .  0 0 "[    .    1    .    2]" 1 
       260 1 38 VAL MG1 1 38 VAL MG2 2.200     .  5.500 1.626 1.512  1.718     .  0 0 "[    .    1    .    2]" 1 
       261 1 38 VAL O   1 42 GLU H   2.000     .  2.500 2.292 1.961  2.507 0.007  3 0 "[    .    1    .    2]" 1 
       262 1 39 PRO O   1 43 THR H   2.000     .  2.500 2.176 1.999  2.501 0.001 17 0 "[    .    1    .    2]" 1 
       263 1 40 ASP H   1 41 VAL H   2.700     .  3.600 2.802 2.663  2.951     .  0 0 "[    .    1    .    2]" 1 
       264 1 40 ASP QB  1 41 VAL H   2.500     .  3.300 2.335 1.992  2.608     .  0 0 "[    .    1    .    2]" 1 
       265 1 40 ASP O   1 44 LYS H   2.000     .  2.500 2.439 2.259  2.526 0.026 10 0 "[    .    1    .    2]" 1 
       266 1 41 VAL H   1 41 VAL HB  2.400     .  3.100 2.660 2.094  2.774     .  0 0 "[    .    1    .    2]" 1 
       267 1 41 VAL H   1 41 VAL MG1 2.800     .  3.800 3.569 3.124  3.655     .  0 0 "[    .    1    .    2]" 1 
       268 1 41 VAL H   1 41 VAL MG2 2.300     .  3.000 2.138 1.841  3.303 0.303 10 0 "[    .    1    .    2]" 1 
       269 1 41 VAL H   1 42 GLU H   2.600     .  3.400 2.513 2.412  2.611     .  0 0 "[    .    1    .    2]" 1 
       270 1 41 VAL HA  1 42 GLU HB2 1.900     .  5.500 3.917 3.854  3.998     .  0 0 "[    .    1    .    2]" 1 
       271 1 41 VAL HA  1 41 VAL HB  2.300     .  3.000 2.993 2.847  3.013 0.013 13 0 "[    .    1    .    2]" 1 
       272 1 41 VAL HA  1 41 VAL HB  2.500     .  3.300 2.967 2.832  2.999     .  0 0 "[    .    1    .    2]" 1 
       273 1 41 VAL HA  1 41 VAL MG1 1.800     .  2.200 2.242 2.127  2.860 0.660 10 2 "[    .    +   -.    2]" 1 
       274 1 41 VAL HA  1 41 VAL MG1 2.200     .  2.800 2.029 1.889  2.159     .  0 0 "[    .    1    .    2]" 1 
       275 1 41 VAL HA  1 41 VAL MG2 2.000     .  2.500 2.447 2.057  2.524 0.024  9 0 "[    .    1    .    2]" 1 
       276 1 41 VAL HA  1 42 GLU QB  2.000     .  5.500 4.305 4.140  4.405     .  0 0 "[    .    1    .    2]" 1 
       277 1 41 VAL HA  1 44 LYS H   3.100     .  4.300 3.103 3.008  3.178     .  0 0 "[    .    1    .    2]" 1 
       278 1 41 VAL HA  1 44 LYS H   2.800     .  3.800 3.470 3.285  3.678     .  0 0 "[    .    1    .    2]" 1 
       279 1 41 VAL HA  1 44 LYS QB  1.900     .  2.400 2.297 2.031  2.385     .  0 0 "[    .    1    .    2]" 1 
       280 1 41 VAL HA  1 45 ARG HA  1.700     .  5.500 4.375 3.885  4.671     .  0 0 "[    .    1    .    2]" 1 
       281 1 41 VAL HB  1 41 VAL MG1 1.800     .  2.200 2.102 2.083  2.122     .  0 0 "[    .    1    .    2]" 1 
       282 1 41 VAL HB  1 41 VAL MG2 1.800     .  2.200 1.709 1.476  1.901     .  0 0 "[    .    1    .    2]" 1 
       283 1 41 VAL MG1 1 41 VAL MG2 2.500     .  5.500 1.726 1.567  1.828     .  0 0 "[    .    1    .    2]" 1 
       284 1 41 VAL MG1 1 42 GLU HA  2.700     .  3.600 2.715 2.558  2.987     .  0 0 "[    .    1    .    2]" 1 
       285 1 41 VAL MG1 1 45 ARG H   3.500     .  5.000 3.742 3.587  3.878     .  0 0 "[    .    1    .    2]" 1 
       286 1 41 VAL MG2 1 44 LYS H   3.700     .  5.400 4.664 4.486  4.772     .  0 0 "[    .    1    .    2]" 1 
       287 1 41 VAL O   1 45 ARG H   2.000     .  2.500 2.351 2.159  2.519 0.019  2 0 "[    .    1    .    2]" 1 
       288 1 42 GLU H   1 43 THR H   2.600     .  3.400 2.827 2.648  3.074     .  0 0 "[    .    1    .    2]" 1 
       289 1 42 GLU HA  1 42 GLU HB3 1.800     .  2.200 1.966 1.942  1.987     .  0 0 "[    .    1    .    2]" 1 
       290 1 42 GLU HA  1 42 GLU HB3 1.800     .  2.200 2.104 2.098  2.113     .  0 0 "[    .    1    .    2]" 1 
       291 1 42 GLU HA  1 42 GLU HG3 1.900     .  2.400 2.050 1.946  2.105     .  0 0 "[    .    1    .    2]" 1 
       292 1 42 GLU HA  1 42 GLU HG3 2.000     .  2.500 2.128 2.099  2.164     .  0 0 "[    .    1    .    2]" 1 
       293 1 42 GLU HA  1 42 GLU HG3 1.700     .  2.200 2.197 2.098  2.283 0.083 20 0 "[    .    1    .    2]" 1 
       294 1 42 GLU HA  1 42 GLU HG3 2.400     .  3.100 1.977 1.910  2.055     .  0 0 "[    .    1    .    2]" 1 
       295 1 42 GLU HA  1 45 ARG H   3.000     .  4.000 3.729 3.542  3.965     .  0 0 "[    .    1    .    2]" 1 
       296 1 42 GLU QB  1 43 THR H   2.300     .  3.000 2.197 1.877  2.389     .  0 0 "[    .    1    .    2]" 1 
       297 1 42 GLU QB  1 43 THR HA  2.200     .  5.500 3.636 3.596  3.693     .  0 0 "[    .    1    .    2]" 1 
       298 1 42 GLU QG  1 43 THR H   3.200     .  4.500 3.305 2.993  3.509     .  0 0 "[    .    1    .    2]" 1 
       299 1 42 GLU QG  1 43 THR HA  2.700     .  3.600 3.573 3.454  3.613 0.013 18 0 "[    .    1    .    2]" 1 
       300 1 42 GLU O   1 46 ALA H   2.000     .  2.500 2.459 2.251  2.539 0.039  1 0 "[    .    1    .    2]" 1 
       301 1 43 THR H   1 43 THR HA  2.600     .  3.400 2.805 2.781  2.833     .  0 0 "[    .    1    .    2]" 1 
       302 1 43 THR H   1 43 THR HB  2.400     .  3.100 2.482 2.296  2.684     .  0 0 "[    .    1    .    2]" 1 
       303 1 43 THR H   1 43 THR MG  2.400     .  3.100 2.305 2.090  2.717     .  0 0 "[    .    1    .    2]" 1 
       304 1 43 THR H   1 44 LYS H   2.300     .  3.000 2.656 2.553  2.717     .  0 0 "[    .    1    .    2]" 1 
       305 1 43 THR H   1 45 ARG H   2.500     .  5.500 4.349 4.122  4.653     .  0 0 "[    .    1    .    2]" 1 
       306 1 43 THR H   1 46 ALA MB  2.300     .  5.500 4.683 4.552  4.824     .  0 0 "[    .    1    .    2]" 1 
       307 1 43 THR HA  1 43 THR HB  2.200     .  2.800 2.482 2.379  2.602     .  0 0 "[    .    1    .    2]" 1 
       308 1 43 THR HA  1 46 ALA H   2.900     .  3.900 3.178 3.122  3.251     .  0 0 "[    .    1    .    2]" 1 
       309 1 43 THR HA  1 46 ALA MB  1.900     .  2.400 2.342 2.202  2.415 0.015 19 0 "[    .    1    .    2]" 1 
       310 1 43 THR HA  1 47 LEU QD  2.000     .  5.500 3.362 2.852  3.695     .  0 0 "[    .    1    .    2]" 1 
       311 1 43 THR HB  1 43 THR MG  2.000     .  2.500 1.875 1.806  1.961     .  0 0 "[    .    1    .    2]" 1 
       312 1 43 THR HB  1 46 ALA H   3.200     .  5.500 5.506 5.441  5.533 0.033  6 0 "[    .    1    .    2]" 1 
       313 1 43 THR MG  1 44 LYS H   2.400     .  3.100 2.061 1.751  2.377     .  0 0 "[    .    1    .    2]" 1 
       314 1 43 THR MG  1 46 ALA H   2.800     .  5.500 4.586 4.310  4.795     .  0 0 "[    .    1    .    2]" 1 
       315 1 43 THR MG  1 47 LEU H   3.400     .  4.800 4.704 4.504  5.035 0.235  5 0 "[    .    1    .    2]" 1 
       316 1 43 THR MG  1 66 LYS QG  2.500     .  5.500 5.341 5.128  5.422     .  0 0 "[    .    1    .    2]" 1 
       317 1 43 THR MG  1 66 LYS QG  2.800     .  5.500 5.502 5.193  5.684 0.184 14 0 "[    .    1    .    2]" 1 
       318 1 43 THR O   1 47 LEU H   2.000     .  2.500 2.297 1.977  2.524 0.024 14 0 "[    .    1    .    2]" 1 
       319 1 44 LYS H   1 44 LYS HA  2.800     .  3.800 2.789 2.752  2.810     .  0 0 "[    .    1    .    2]" 1 
       320 1 44 LYS H   1 44 LYS QB  2.000     .  2.500 2.181 2.051  2.282     .  0 0 "[    .    1    .    2]" 1 
       321 1 44 LYS H   1 45 ARG H   2.400     .  3.100 2.739 2.645  2.846     .  0 0 "[    .    1    .    2]" 1 
       322 1 44 LYS HA  1 44 LYS QB  2.100     .  2.700 2.422 2.296  2.540     .  0 0 "[    .    1    .    2]" 1 
       323 1 44 LYS HA  1 44 LYS QD  2.400     .  3.100 2.573 2.236  2.947     .  0 0 "[    .    1    .    2]" 1 
       324 1 44 LYS HA  1 47 LEU H   3.100     .  4.300 3.670 3.515  3.853     .  0 0 "[    .    1    .    2]" 1 
       325 1 44 LYS HA  1 47 LEU HA  1.900     .  5.500 5.195 5.091  5.317     .  0 0 "[    .    1    .    2]" 1 
       326 1 44 LYS HA  1 47 LEU QD  2.000     .  2.500 2.431 2.031  2.528 0.028  1 0 "[    .    1    .    2]" 1 
       327 1 44 LYS HB2 1 44 LYS HD2 1.800     .  2.200 2.240 1.911  2.789 0.589  5 2 "[-   +    1    .    2]" 1 
       328 1 44 LYS O   1 48 GLN H   2.000     .  2.500 2.394 1.962  2.522 0.022  3 0 "[    .    1    .    2]" 1 
       329 1 45 ARG H   1 45 ARG HA  2.700     .  3.600 2.826 2.812  2.837     .  0 0 "[    .    1    .    2]" 1 
       330 1 45 ARG H   1 45 ARG HB2 1.900     .  2.400 2.412 2.267  2.452 0.052  1 0 "[    .    1    .    2]" 1 
       331 1 45 ARG H   1 45 ARG QG  3.100     .  4.300 3.971 3.874  4.018     .  0 0 "[    .    1    .    2]" 1 
       332 1 45 ARG H   1 46 ALA H   2.400     .  3.100 2.574 2.529  2.634     .  0 0 "[    .    1    .    2]" 1 
       333 1 45 ARG H   1 46 ALA H   2.200     .  2.800 2.359 2.316  2.415     .  0 0 "[    .    1    .    2]" 1 
       334 1 45 ARG HA  1 45 ARG QB  1.900     .  2.400 2.393 2.369  2.452 0.052  8 0 "[    .    1    .    2]" 1 
       335 1 45 ARG HA  1 45 ARG QB  1.800     .  2.200 2.306 2.287  2.350 0.150  8 0 "[    .    1    .    2]" 1 
       336 1 45 ARG HA  1 45 ARG QG  2.000     .  2.500 2.352 2.184  2.564 0.064  1 0 "[    .    1    .    2]" 1 
       337 1 45 ARG HA  1 46 ALA H   3.100     .  4.300 3.501 3.480  3.542     .  0 0 "[    .    1    .    2]" 1 
       338 1 45 ARG HA  1 48 GLN HB3 2.500     .  3.300 3.551 2.109  4.106 0.806  6 8 "[ *  -+   **  *.*   *]" 1 
       339 1 45 ARG HB3 1 46 ALA H   2.200     .  2.800 2.780 2.560  2.851 0.051 11 0 "[    .    1    .    2]" 1 
       340 1 45 ARG QD  1 45 ARG HG2 1.900     .  2.400 2.096 2.078  2.126     .  0 0 "[    .    1    .    2]" 1 
       341 1 45 ARG QD  1 49 ASN QB  2.200     .  2.800 2.533 2.271  2.775     .  0 0 "[    .    1    .    2]" 1 
       342 1 46 ALA H   1 46 ALA HA  2.400     .  3.100 2.801 2.780  2.828     .  0 0 "[    .    1    .    2]" 1 
       343 1 46 ALA H   1 46 ALA MB  2.100     .  2.700 2.106 2.029  2.230     .  0 0 "[    .    1    .    2]" 1 
       344 1 46 ALA H   1 47 LEU H   2.300     .  3.000 2.749 2.619  2.902     .  0 0 "[    .    1    .    2]" 1 
       345 1 46 ALA H   1 47 LEU QD  3.400     .  5.500 3.779 3.466  4.561     .  0 0 "[    .    1    .    2]" 1 
       346 1 46 ALA HA  1 46 ALA MB  1.600     .  2.200 2.099 2.081  2.125     .  0 0 "[    .    1    .    2]" 1 
       347 1 46 ALA HA  1 47 LEU H   3.500     .  5.000 3.544 3.483  3.575     .  0 0 "[    .    1    .    2]" 1 
       348 1 46 ALA HA  1 49 ASN H   3.000     .  4.200 3.549 3.193  4.035     .  0 0 "[    .    1    .    2]" 1 
       349 1 46 ALA MB  1 47 LEU H   2.500     .  3.300 2.560 2.317  2.842     .  0 0 "[    .    1    .    2]" 1 
       350 1 47 LEU H   1 47 LEU HA  2.800     .  3.800 2.823 2.759  2.869     .  0 0 "[    .    1    .    2]" 1 
       351 1 47 LEU H   1 47 LEU QD  2.700     .  3.600 2.168 1.771  2.800 0.029  5 0 "[    .    1    .    2]" 1 
       352 1 47 LEU H   1 47 LEU HG  2.700     .  5.500 3.363 1.763  4.200     .  0 0 "[    .    1    .    2]" 1 
       353 1 47 LEU H   1 48 GLN H   2.500     .  3.300 2.655 2.484  2.940     .  0 0 "[    .    1    .    2]" 1 
       354 1 47 LEU H   1 68 ARG QG  2.100     .  5.500 5.239 4.891  5.336     .  0 0 "[    .    1    .    2]" 1 
       355 1 47 LEU HA  1 47 LEU QB  2.600     .  3.400 2.366 2.221  2.457     .  0 0 "[    .    1    .    2]" 1 
       356 1 47 LEU HA  1 47 LEU HB3 2.000     .  2.500 2.482 2.294  2.616 0.116  6 0 "[    .    1    .    2]" 1 
       357 1 47 LEU HA  1 47 LEU QD  1.700     .  2.200 2.034 1.824  2.203 0.003  3 0 "[    .    1    .    2]" 1 
       358 1 47 LEU HA  1 47 LEU QD  2.200     .  2.800 1.896 1.749  2.021     .  0 0 "[    .    1    .    2]" 1 
       359 1 47 LEU HA  1 71 GLU HG3 2.300     .  5.500 4.009 3.400  4.945     .  0 0 "[    .    1    .    2]" 1 
       360 1 47 LEU HA  1 71 GLU HB2 1.900     .  5.500 4.972 4.321  6.377 0.877  8 2 "[    -  + 1    .    2]" 1 
       361 1 47 LEU HA  1 97 VAL MG2 1.900     .  5.500 5.081 4.571  5.526 0.026 18 0 "[    .    1    .    2]" 1 
       362 1 47 LEU QB  1 50 MET HG2 2.000     .  5.500 4.574 3.702  5.703 0.203 11 0 "[    .    1    .    2]" 1 
       363 1 47 LEU QB  1 47 LEU QD  1.800     .  2.200 1.947 1.869  2.043     .  0 0 "[    .    1    .    2]" 1 
       364 1 47 LEU QB  1 47 LEU QD  2.200     .  2.800 1.766 1.711  1.814     .  0 0 "[    .    1    .    2]" 1 
       365 1 47 LEU QB  1 47 LEU HG  1.600     .  2.200 2.226 2.148  2.361 0.161 17 0 "[    .    1    .    2]" 1 
       366 1 47 LEU QB  1 71 GLU HB2 1.800     .  5.500 3.412 2.558  4.240     .  0 0 "[    .    1    .    2]" 1 
       367 1 47 LEU HB2 1 48 GLN H   2.800     .  3.800 2.673 2.147  3.139     .  0 0 "[    .    1    .    2]" 1 
       368 1 47 LEU HB3 1 47 LEU QD  1.800     .  2.200 1.779 1.480  1.984     .  0 0 "[    .    1    .    2]" 1 
       369 1 47 LEU MD1 1 47 LEU MD2 1.700     .  2.200 2.017 1.876  2.093     .  0 0 "[    .    1    .    2]" 1 
       370 1 47 LEU QD  1 47 LEU HG  1.900     .  2.400 1.876 1.855  1.889     .  0 0 "[    .    1    .    2]" 1 
       371 1 47 LEU QD  1 47 LEU HG  1.800     .  2.200 1.721 1.675  1.752     .  0 0 "[    .    1    .    2]" 1 
       372 1 47 LEU QD  1 48 GLN H   3.600     .  5.200 3.727 3.259  4.073     .  0 0 "[    .    1    .    2]" 1 
       373 1 47 LEU QD  1 67 GLU QG  2.200     .  2.800 1.946 1.616  2.272     .  0 0 "[    .    1    .    2]" 1 
       374 1 47 LEU QD  1 58 VAL QG  2.400     .  5.500 4.727 4.190  5.307     .  0 0 "[    .    1    .    2]" 1 
       375 1 47 LEU MD1 1 47 LEU MD2 1.900     .  2.400 1.799 1.720  1.846     .  0 0 "[    .    1    .    2]" 1 
       376 1 47 LEU HG  1 48 GLN H   3.400     .  5.500 4.717 3.406  5.504 0.004 13 0 "[    .    1    .    2]" 1 
       377 1 48 GLN H   1 48 GLN HA  2.500     .  3.300 2.865 2.774  2.884     .  0 0 "[    .    1    .    2]" 1 
       378 1 48 GLN H   1 48 GLN HB2 2.600     .  3.400 2.309 2.072  3.141     .  0 0 "[    .    1    .    2]" 1 
       379 1 48 GLN H   1 48 GLN HB3 2.300     .  3.000 3.056 2.088  3.426 0.426 11 0 "[    .    1    .    2]" 1 
       380 1 48 GLN H   1 48 GLN QG  2.700     .  3.600 3.462 3.002  3.651 0.051 13 0 "[    .    1    .    2]" 1 
       381 1 48 GLN H   1 49 ASN H   2.400     .  3.200 2.506 2.385  2.767     .  0 0 "[    .    1    .    2]" 1 
       382 1 48 GLN HA  1 48 GLN HB2 1.900     .  2.400 2.233 1.987  2.437 0.037  8 0 "[    .    1    .    2]" 1 
       383 1 48 GLN HA  1 48 GLN HG3 2.400     .  3.100 2.667 2.063  3.134 0.034 15 0 "[    .    1    .    2]" 1 
       384 1 48 GLN HA  1 49 ASN H   2.800     .  3.800 3.396 3.168  3.529     .  0 0 "[    .    1    .    2]" 1 
       385 1 48 GLN HB2 1 48 GLN QG  2.300     .  3.000 2.351 2.147  2.515     .  0 0 "[    .    1    .    2]" 1 
       386 1 48 GLN HB2 1 49 ASN H   3.400     .  4.800 3.724 3.125  4.346     .  0 0 "[    .    1    .    2]" 1 
       387 1 48 GLN HB3 1 49 ASN H   3.400     .  4.800 3.516 3.004  3.952     .  0 0 "[    .    1    .    2]" 1 
       388 1 48 GLN QG  1 49 ASN HA  2.500     .  5.500 5.063 3.322  5.558 0.058  6 0 "[    .    1    .    2]" 1 
       389 1 48 GLN HG3 1 71 GLU HG2 2.600     .  5.500 3.587 2.526  4.049     .  0 0 "[    .    1    .    2]" 1 
       390 1 49 ASN H   1 49 ASN HA  2.800     .  3.800 2.940 2.932  2.949     .  0 0 "[    .    1    .    2]" 1 
       391 1 49 ASN H   1 49 ASN QB  3.100     .  3.800 2.554 2.387  2.719     .  0 0 "[    .    1    .    2]" 1 
       392 1 49 ASN H   1 50 MET H   2.500     .  3.300 3.166 2.420  3.329 0.029  1 0 "[    .    1    .    2]" 1 
       393 1 49 ASN HA  1 50 MET H   3.000     .  4.100 2.545 2.400  2.888     .  0 0 "[    .    1    .    2]" 1 
       394 1 49 ASN HA  1 50 MET HB2 2.300     .  5.500 5.603 4.947  6.107 0.607  8 6 "[  -*.  + 1  * . * *2]" 1 
       395 1 49 ASN QB  1 50 MET HA  2.500     .  5.500 4.174 4.005  4.544     .  0 0 "[    .    1    .    2]" 1 
       396 1 50 MET H   1 50 MET HA  3.000     .  4.100 2.927 2.893  2.944     .  0 0 "[    .    1    .    2]" 1 
       397 1 50 MET H   1 50 MET HB2 2.500     .  3.300 3.170 2.304  3.746 0.446 20 0 "[    .    1    .    2]" 1 
       398 1 50 MET H   1 50 MET ME  2.400     .  5.500 3.406 1.518  5.007     .  0 0 "[    .    1    .    2]" 1 
       399 1 50 MET H   1 50 MET HG3 2.600     .  3.400 2.895 1.913  4.332 0.932  2 2 "[ +  .    1-   .    2]" 1 
       400 1 50 MET H   1 51 LYS H   5.000 3.000 55.000 4.515 4.278  4.596     .  0 0 "[    .    1    .    2]" 1 
       401 1 50 MET H   1 97 VAL MG2 3.100     .  5.500 5.064 4.839  5.471     .  0 0 "[    .    1    .    2]" 1 
       402 1 50 MET HA  1 50 MET HB3 2.000     .  2.500 2.423 2.241  2.575 0.075 11 0 "[    .    1    .    2]" 1 
       403 1 50 MET HA  1 50 MET ME  2.300     .  5.500 4.281 3.833  5.319     .  0 0 "[    .    1    .    2]" 1 
       404 1 50 MET HA  1 50 MET ME  2.100     .  2.700 2.626 2.292  2.750 0.050  2 0 "[    .    1    .    2]" 1 
       405 1 50 MET HA  1 50 MET HG3 2.200     .  5.500 3.487 2.548  4.242     .  0 0 "[    .    1    .    2]" 1 
       406 1 50 MET HA  1 51 LYS H   2.200     .  2.800 2.227 2.147  2.353     .  0 0 "[    .    1    .    2]" 1 
       407 1 50 MET QB  1 54 GLU HB2 2.200     .  5.500 3.969 3.418  4.727     .  0 0 "[    .    1    .    2]" 1 
       408 1 50 MET HB2 1 50 MET ME  1.700     .  2.200 2.092 1.816  2.494 0.294  5 0 "[    .    1    .    2]" 1 
       409 1 50 MET HB2 1 50 MET QG  2.000     .  2.500 2.326 2.146  2.520 0.020  1 0 "[    .    1    .    2]" 1 
       410 1 50 MET HB3 1 50 MET QG  1.800     .  2.200 2.300 2.127  2.466 0.266 17 0 "[    .    1    .    2]" 1 
       411 1 50 MET HB3 1 97 VAL MG2 2.100     .  2.700 2.536 1.637  3.409 0.709 19 6 "[   *.    1* - . * +*]" 1 
       412 1 50 MET ME  1 50 MET HG3 2.000     .  2.500 2.726 2.243  3.373 0.873 12 6 "[  * . -* 1*+  .  * 2]" 1 
       413 1 51 LYS H   1 51 LYS QB  2.300     .  3.000 2.376 2.132  2.712     .  0 0 "[    .    1    .    2]" 1 
       414 1 51 LYS H   1 51 LYS QD  2.200     .  5.500 4.002 2.427  4.611     .  0 0 "[    .    1    .    2]" 1 
       415 1 51 LYS H   1 54 GLU QG  2.200     .  5.500 2.351 1.776  3.245     .  0 0 "[    .    1    .    2]" 1 
       416 1 51 LYS H   1 97 VAL MG2 3.200     .  4.500 3.223 2.904  3.939     .  0 0 "[    .    1    .    2]" 1 
       417 1 51 LYS HA  1 51 LYS QE  1.800     .  5.500 4.078 2.801  4.961     .  0 0 "[    .    1    .    2]" 1 
       418 1 51 LYS HA  1 51 LYS HG2 2.300     .  3.000 2.953 2.286  3.650 0.650 14 1 "[    .    1   +.    2]" 1 
       419 1 51 LYS HA  1 97 VAL QG  3.000     .  4.100 4.130 4.039  4.167 0.067  4 0 "[    .    1    .    2]" 1 
       420 1 51 LYS QB  1 51 LYS QE  2.000     .  5.500 3.161 2.423  3.764     .  0 0 "[    .    1    .    2]" 1 
       421 1 51 LYS QB  1 51 LYS HG3 1.600     .  2.200 1.879 1.788  2.127     .  0 0 "[    .    1    .    2]" 1 
       422 1 51 LYS QB  1 53 GLY H   3.100     .  4.300 3.472 2.553  4.116     .  0 0 "[    .    1    .    2]" 1 
       423 1 51 LYS QB  1 53 GLY HA3 2.200     .  5.500 4.306 3.876  4.605     .  0 0 "[    .    1    .    2]" 1 
       424 1 51 LYS QB  1 54 GLU QG  1.800     .  2.200 1.689 1.417  1.880     .  0 0 "[    .    1    .    2]" 1 
       425 1 51 LYS HE2 1 51 LYS HG2 2.400     .  3.100 2.598 2.004  3.280 0.180 17 0 "[    .    1    .    2]" 1 
       426 1 53 GLY H   1 53 GLY HA2 2.500     .  3.300 2.943 2.938  2.947     .  0 0 "[    .    1    .    2]" 1 
       427 1 53 GLY H   1 53 GLY HA3 2.500     .  3.300 2.406 2.397  2.424     .  0 0 "[    .    1    .    2]" 1 
       428 1 53 GLY H   1 54 GLU H   2.500     .  3.300 3.360 2.981  3.436 0.136 20 0 "[    .    1    .    2]" 1 
       429 1 53 GLY H   1 97 VAL HB  2.700     .  5.500 4.850 4.554  5.321     .  0 0 "[    .    1    .    2]" 1 
       430 1 53 GLY HA2 1 54 GLU H   3.300     .  4.700 2.624 2.545  2.862     .  0 0 "[    .    1    .    2]" 1 
       431 1 53 GLY HA2 1 97 VAL MG1 2.800     .  5.500 4.601 4.097  5.529 0.029  7 0 "[    .    1    .    2]" 1 
       432 1 53 GLY HA3 1 54 GLU H   3.200     .  4.500 3.570 3.557  3.592     .  0 0 "[    .    1    .    2]" 1 
       433 1 53 GLY HA3 1 54 GLU HA  1.900     .  5.500 3.783 3.709  3.895     .  0 0 "[    .    1    .    2]" 1 
       434 1 53 GLY HA3 1 54 GLU HB2 2.300     .  5.500 5.025 4.168  5.534 0.034 16 0 "[    .    1    .    2]" 1 
       435 1 53 GLY HA3 1 54 GLU QG  2.100     .  5.500 5.234 4.830  5.410     .  0 0 "[    .    1    .    2]" 1 
       436 1 53 GLY HA3 1 54 GLU QG  2.400     .  5.500 4.452 4.192  4.641     .  0 0 "[    .    1    .    2]" 1 
       437 1 54 GLU H   1 54 GLU HA  2.900     .  4.000 2.914 2.905  2.920     .  0 0 "[    .    1    .    2]" 1 
       438 1 54 GLU H   1 54 GLU QG  2.300     .  5.500 3.176 2.631  3.364     .  0 0 "[    .    1    .    2]" 1 
       439 1 54 GLU H   1 97 VAL H   2.800     .  3.800 3.617 3.300  3.838 0.038 14 0 "[    .    1    .    2]" 1 
       440 1 54 GLU H   1 97 VAL HB  2.600     .  3.400 2.146 1.797  2.720 0.003 18 0 "[    .    1    .    2]" 1 
       441 1 54 GLU H   1 97 VAL QG  2.800     .  3.800 3.106 2.742  3.553     .  0 0 "[    .    1    .    2]" 1 
       442 1 54 GLU H   1 97 VAL O   2.000     .  2.500 2.552 2.428  2.602 0.102 20 0 "[    .    1    .    2]" 1 
       443 1 54 GLU HA  1 54 GLU HB2 2.400     .  3.100 2.660 2.018  2.893     .  0 0 "[    .    1    .    2]" 1 
       444 1 54 GLU HA  1 54 GLU HB3 1.900     .  2.400 2.082 2.007  2.133     .  0 0 "[    .    1    .    2]" 1 
       445 1 54 GLU HA  1 54 GLU HB3 3.100     .  4.300 2.160 2.089  2.227     .  0 0 "[    .    1    .    2]" 1 
       446 1 54 GLU HA  1 54 GLU HB3 2.200     .  2.800 2.169 2.076  2.297     .  0 0 "[    .    1    .    2]" 1 
       447 1 54 GLU HA  1 54 GLU QG  2.400     .  3.100 2.466 2.137  2.834     .  0 0 "[    .    1    .    2]" 1 
       448 1 54 GLU HA  1 55 ILE H   2.500     .  3.200 2.236 2.113  2.330     .  0 0 "[    .    1    .    2]" 1 
       449 1 54 GLU HB2 1 54 GLU QG  2.000     .  2.500 2.191 2.148  2.319     .  0 0 "[    .    1    .    2]" 1 
       450 1 54 GLU HB2 1 97 VAL MG2 1.800     .  2.200 2.152 1.914  2.237 0.037  8 0 "[    .    1    .    2]" 1 
       451 1 54 GLU HB3 1 55 ILE H   2.300     .  3.000 2.599 2.476  2.871     .  0 0 "[    .    1    .    2]" 1 
       452 1 54 GLU HB3 1 56 LEU H   3.000     .  4.100 3.806 3.372  3.953     .  0 0 "[    .    1    .    2]" 1 
       453 1 54 GLU HB3 1 56 LEU QD  1.800     .  2.200 1.867 1.712  2.070     .  0 0 "[    .    1    .    2]" 1 
       454 1 54 GLU QG  1 56 LEU QD  2.100     .  2.700 1.952 1.617  2.276     .  0 0 "[    .    1    .    2]" 1 
       455 1 54 GLU O   1 97 VAL H   2.000     .  2.500 2.254 2.068  2.540 0.040 18 0 "[    .    1    .    2]" 1 
       456 1 55 ILE H   1 56 LEU HB2 3.300     .  4.700 4.600 3.952  4.938 0.238  7 0 "[    .    1    .    2]" 1 
       457 1 55 ILE H   1 56 LEU QD  2.800     .  3.800 2.710 1.468  3.100 0.332 16 0 "[    .    1    .    2]" 1 
       458 1 55 ILE HA  1 55 ILE HB  2.800     .  3.800 2.320 1.765  2.579 0.035 15 0 "[    .    1    .    2]" 1 
       459 1 55 ILE HA  1 55 ILE MD  1.900     .  5.500 2.749 2.306  3.287     .  0 0 "[    .    1    .    2]" 1 
       460 1 55 ILE HA  1 55 ILE MG  1.800     .  2.200 2.171 2.005  2.287 0.087 18 0 "[    .    1    .    2]" 1 
       461 1 55 ILE HA  1 56 LEU H   2.200     .  2.800 2.230 2.163  2.554     .  0 0 "[    .    1    .    2]" 1 
       462 1 55 ILE HA  1 96 LYS QB  2.100     .  2.700 2.438 1.777  2.793 0.093 18 0 "[    .    1    .    2]" 1 
       463 1 55 ILE HB  1 55 ILE MD  1.900     .  2.400 1.725 1.676  1.787     .  0 0 "[    .    1    .    2]" 1 
       464 1 55 ILE HB  1 55 ILE MD  1.800     .  2.200 1.794 1.742  1.872     .  0 0 "[    .    1    .    2]" 1 
       465 1 55 ILE HB  1 55 ILE MG  1.600     .  2.200 1.683 1.628  1.703     .  0 0 "[    .    1    .    2]" 1 
       466 1 55 ILE MG  1 96 LYS HA  2.000     .  5.500 2.922 2.719  3.336     .  0 0 "[    .    1    .    2]" 1 
       467 1 56 LEU H   1 56 LEU QB  2.400     .  3.100 2.673 2.314  3.101 0.001  7 0 "[    .    1    .    2]" 1 
       468 1 56 LEU H   1 56 LEU QD  2.700     .  3.000 2.819 2.414  3.002 0.002 19 0 "[    .    1    .    2]" 1 
       469 1 56 LEU H   1 95 ILE H   2.800     .  3.800 3.839 3.703  3.930 0.130 18 0 "[    .    1    .    2]" 1 
       470 1 56 LEU H   1 95 ILE O   2.000     .  2.500 1.995 1.845  2.339     .  0 0 "[    .    1    .    2]" 1 
       471 1 56 LEU H   1 97 VAL H   3.200     .  4.500 3.651 3.520  3.903     .  0 0 "[    .    1    .    2]" 1 
       472 1 56 LEU HA  1 56 LEU QB  2.200     .  2.800 2.328 2.136  2.521     .  0 0 "[    .    1    .    2]" 1 
       473 1 56 LEU HA  1 56 LEU QD  1.800     .  5.500 2.506 1.907  3.385     .  0 0 "[    .    1    .    2]" 1 
       474 1 56 LEU HA  1 56 LEU HG  2.600     .  3.400 3.108 2.323  3.495 0.095  9 0 "[    .    1    .    2]" 1 
       475 1 56 LEU HA  1 57 GLU H   2.100     .  2.700 2.350 2.203  2.671     .  0 0 "[    .    1    .    2]" 1 
       476 1 56 LEU HB2 1 56 LEU QD  1.800     .  2.200 1.961 1.780  2.173     .  0 0 "[    .    1    .    2]" 1 
       477 1 56 LEU HB3 1 57 GLU H   3.100     .  4.300 2.742 2.059  3.105     .  0 0 "[    .    1    .    2]" 1 
       478 1 56 LEU QD  1 57 GLU H   2.500     .  5.500 3.643 3.331  4.003     .  0 0 "[    .    1    .    2]" 1 
       479 1 56 LEU QD  1 58 VAL H   2.800     .  5.500 4.802 4.111  5.323     .  0 0 "[    .    1    .    2]" 1 
       480 1 56 LEU MD1 1 56 LEU MD2 1.700     .  2.200 1.847 1.767  1.913     .  0 0 "[    .    1    .    2]" 1 
       481 1 56 LEU MD1 1 56 LEU MD2 1.800     .  2.200 1.900 1.801  1.970     .  0 0 "[    .    1    .    2]" 1 
       482 1 56 LEU HG  1 57 GLU H   3.100     .  5.500 4.221 2.984  5.128     .  0 0 "[    .    1    .    2]" 1 
       483 1 56 LEU O   1 95 ILE H   2.000     .  2.500 2.101 1.847  2.468     .  0 0 "[    .    1    .    2]" 1 
       484 1 57 GLU H   1 57 GLU QG  2.700     .  5.500 3.345 2.093  4.090     .  0 0 "[    .    1    .    2]" 1 
       485 1 57 GLU H   1 58 VAL QG  2.900     .  4.000 3.916 3.708  4.028 0.028 17 0 "[    .    1    .    2]" 1 
       486 1 57 GLU HA  1 57 GLU HB2 2.800     .  3.800 2.390 2.264  2.513     .  0 0 "[    .    1    .    2]" 1 
       487 1 57 GLU HA  1 57 GLU HB3 2.200     .  2.800 2.528 2.306  2.693     .  0 0 "[    .    1    .    2]" 1 
       488 1 57 GLU HA  1 58 VAL H   2.200     .  2.800 2.251 2.138  2.535     .  0 0 "[    .    1    .    2]" 1 
       489 1 57 GLU HA  1 95 ILE H   2.800     .  3.800 2.661 2.396  2.816     .  0 0 "[    .    1    .    2]" 1 
       490 1 57 GLU HB2 1 57 GLU QG  2.400     .  3.100 2.273 2.190  2.385     .  0 0 "[    .    1    .    2]" 1 
       491 1 57 GLU HB2 1 58 VAL H   3.000     .  4.100 3.586 2.229  4.164 0.064  6 0 "[    .    1    .    2]" 1 
       492 1 57 GLU HB3 1 57 GLU QG  2.300     .  3.000 2.216 2.085  2.342     .  0 0 "[    .    1    .    2]" 1 
       493 1 57 GLU QG  1 93 ILE H   2.900     .  5.500 4.793 3.945  5.323     .  0 0 "[    .    1    .    2]" 1 
       494 1 58 VAL H   1 58 VAL HB  2.400     .  3.100 2.895 2.740  3.317 0.217 17 0 "[    .    1    .    2]" 1 
       495 1 58 VAL H   1 58 VAL QG  2.300     .  3.000 2.465 1.779  2.893     .  0 0 "[    .    1    .    2]" 1 
       496 1 58 VAL H   1 93 ILE O   2.000     .  2.500 2.004 1.852  2.171     .  0 0 "[    .    1    .    2]" 1 
       497 1 58 VAL H   1 95 ILE HB  2.600     .  5.500 5.151 4.672  5.525 0.025 19 0 "[    .    1    .    2]" 1 
       498 1 58 VAL HA  1 59 TRP H   2.200     .  2.800 2.165 2.128  2.259     .  0 0 "[    .    1    .    2]" 1 
       499 1 58 VAL HB  1 58 VAL QG  1.400     .  2.200 1.668 1.588  1.803     .  0 0 "[    .    1    .    2]" 1 
       500 1 58 VAL HB  1 64 MET H   2.400     .  5.500 4.895 3.787  5.553 0.053 17 0 "[    .    1    .    2]" 1 
       501 1 58 VAL HB  1 65 SER H   3.500     .  5.500 4.988 3.885  5.510 0.010 17 0 "[    .    1    .    2]" 1 
       502 1 58 VAL HB  1 93 ILE MD  1.700     .  2.200 1.771 1.700  1.807     .  0 0 "[    .    1    .    2]" 1 
       503 1 58 VAL QG  1 59 TRP H   2.400     .  3.100 2.399 2.129  2.887     .  0 0 "[    .    1    .    2]" 1 
       504 1 58 VAL QG  1 64 MET QG  2.600     .  3.400 3.170 2.748  3.421 0.021 12 0 "[    .    1    .    2]" 1 
       505 1 58 VAL O   1 93 ILE H   2.000     .  2.500 2.068 1.857  2.286     .  0 0 "[    .    1    .    2]" 1 
       506 1 59 TRP H   1 59 TRP HD1 3.500     .  5.000 4.564 2.198  4.979     .  0 0 "[    .    1    .    2]" 1 
       507 1 59 TRP HA  1 60 ILE H   2.200     .  2.800 2.169 2.138  2.199     .  0 0 "[    .    1    .    2]" 1 
       508 1 59 TRP HA  1 92 LYS HA  2.500     .  3.200 2.721 2.399  3.058     .  0 0 "[    .    1    .    2]" 1 
       509 1 59 TRP HD1 1 60 ILE H   3.500     .  5.000 3.439 2.301  5.010 0.010 14 0 "[    .    1    .    2]" 1 
       510 1 60 ILE H   1 60 ILE HB  2.800     .  3.800 3.589 3.309  3.767     .  0 0 "[    .    1    .    2]" 1 
       511 1 60 ILE H   1 60 ILE MG  3.100     .  4.300 3.839 3.697  4.021     .  0 0 "[    .    1    .    2]" 1 
       512 1 60 ILE H   1 91 TRP H   2.800     .  3.800 3.804 3.706  3.859 0.059 12 0 "[    .    1    .    2]" 1 
       513 1 60 ILE H   1 91 TRP O   2.000     .  2.500 2.540 2.499  2.569 0.069 13 0 "[    .    1    .    2]" 1 
       514 1 60 ILE H   1 93 ILE MD  3.200     .  4.500 3.701 3.186  4.518 0.018 14 0 "[    .    1    .    2]" 1 
       515 1 60 ILE HA  1 60 ILE HB  2.300     .  3.000 2.795 2.693  2.946     .  0 0 "[    .    1    .    2]" 1 
       516 1 60 ILE HA  1 60 ILE MG  1.900     .  2.400 1.995 1.896  2.134     .  0 0 "[    .    1    .    2]" 1 
       517 1 60 ILE HA  1 61 ASP H   2.200     .  2.800 2.706 2.601  2.841 0.041 12 0 "[    .    1    .    2]" 1 
       518 1 60 ILE HB  1 91 TRP H   2.900     .  5.500 5.391 4.949  5.537 0.037 11 0 "[    .    1    .    2]" 1 
       519 1 60 ILE MG  1 61 ASP H   3.400     .  4.800 2.515 1.979  2.916 0.021 12 0 "[    .    1    .    2]" 1 
       520 1 60 ILE O   1 91 TRP H   2.000     .  2.500 2.067 1.885  2.163     .  0 0 "[    .    1    .    2]" 1 
       521 1 61 ASP H   1 62 TYR H   2.400     .  3.100 2.144 1.918  2.631     .  0 0 "[    .    1    .    2]" 1 
       522 1 61 ASP HA  1 61 ASP QB  2.300     .  3.000 2.285 2.155  2.530     .  0 0 "[    .    1    .    2]" 1 
       523 1 61 ASP QB  1 90 GLU HB2 2.500     .  5.500 4.059 3.426  4.570     .  0 0 "[    .    1    .    2]" 1 
       524 1 61 ASP QB  1 90 GLU HA  1.800     .  5.500 3.098 1.768  3.943     .  0 0 "[    .    1    .    2]" 1 
       525 1 61 ASP HB2 1 89 SER HB2 2.400     .  5.500 3.795 2.441  5.051     .  0 0 "[    .    1    .    2]" 1 
       526 1 62 TYR HA  1 62 TYR QB  2.400     .  3.100 2.428 2.160  2.542     .  0 0 "[    .    1    .    2]" 1 
       527 1 64 MET H   1 64 MET HA  2.800     .  3.800 2.837 2.816  2.846     .  0 0 "[    .    1    .    2]" 1 
       528 1 64 MET H   1 64 MET HB3 2.700     .  3.600 3.161 2.544  3.577     .  0 0 "[    .    1    .    2]" 1 
       529 1 64 MET H   1 64 MET QG  3.100     .  4.300 3.495 2.437  4.052     .  0 0 "[    .    1    .    2]" 1 
       530 1 64 MET H   1 65 SER H   2.600     .  3.400 2.552 2.493  2.601     .  0 0 "[    .    1    .    2]" 1 
       531 1 64 MET HA  1 64 MET QG  2.100     .  2.700 2.312 2.024  2.622     .  0 0 "[    .    1    .    2]" 1 
       532 1 64 MET HA  1 66 LYS H   3.200     .  4.500 3.346 3.146  3.515     .  0 0 "[    .    1    .    2]" 1 
       533 1 64 MET HB2 1 64 MET QG  2.500     .  3.300 2.117 1.936  2.400     .  0 0 "[    .    1    .    2]" 1 
       534 1 64 MET HB3 1 64 MET QG  1.800     .  2.200 2.361 2.143  2.520 0.320  2 0 "[    .    1    .    2]" 1 
       535 1 64 MET HB3 1 65 SER H   3.300     .  4.700 3.445 2.953  4.085     .  0 0 "[    .    1    .    2]" 1 
       536 1 64 MET QG  1 67 GLU QB  2.000     .  5.500 4.490 3.431  5.273     .  0 0 "[    .    1    .    2]" 1 
       537 1 64 MET O   1 68 ARG H   2.000     .  2.500 2.557 2.524  2.602 0.102 15 0 "[    .    1    .    2]" 1 
       538 1 65 SER H   1 65 SER QB  3.200     .  3.600 2.423 2.081  2.909     .  0 0 "[    .    1    .    2]" 1 
       539 1 65 SER H   1 66 LYS H   2.500     .  3.300 2.665 2.610  2.738     .  0 0 "[    .    1    .    2]" 1 
       540 1 65 SER H   1 93 ILE MD  3.200     .  4.500 3.881 2.796  4.535 0.035  7 0 "[    .    1    .    2]" 1 
       541 1 65 SER HA  1 68 ARG H   3.000     .  4.000 2.785 2.673  2.877     .  0 0 "[    .    1    .    2]" 1 
       542 1 65 SER HA  1 68 ARG HB2 1.900     .  2.400 1.689 1.510  1.929     .  0 0 "[    .    1    .    2]" 1 
       543 1 65 SER HA  1 68 ARG QG  2.300     .  3.000 2.708 2.173  3.047 0.047  1 0 "[    .    1    .    2]" 1 
       544 1 65 SER HA  1 69 ILE MD  2.100     .  5.500 3.120 2.838  3.660     .  0 0 "[    .    1    .    2]" 1 
       545 1 65 SER QB  1 68 ARG HD2 2.800     .  3.800 3.032 1.777  3.591 0.023 16 0 "[    .    1    .    2]" 1 
       546 1 65 SER QB  1 95 ILE MD  1.600     .  2.200 1.907 1.697  2.038     .  0 0 "[    .    1    .    2]" 1 
       547 1 65 SER QB  1 95 ILE MD  2.000     .  2.500 1.919 1.702  2.056     .  0 0 "[    .    1    .    2]" 1 
       548 1 65 SER QB  1 93 ILE MG  2.400     .  3.100 2.803 2.314  3.037     .  0 0 "[    .    1    .    2]" 1 
       549 1 65 SER O   1 69 ILE H   2.000     .  2.500 1.997 1.889  2.187     .  0 0 "[    .    1    .    2]" 1 
       550 1 66 LYS H   1 66 LYS HA  3.000     .  4.100 2.791 2.763  2.812     .  0 0 "[    .    1    .    2]" 1 
       551 1 66 LYS H   1 66 LYS QB  2.600     .  3.400 2.465 2.299  2.654     .  0 0 "[    .    1    .    2]" 1 
       552 1 66 LYS H   1 66 LYS HD2 2.400     .  5.500 3.787 3.589  3.963     .  0 0 "[    .    1    .    2]" 1 
       553 1 66 LYS H   1 67 GLU H   2.700     .  3.600 2.702 2.612  2.819     .  0 0 "[    .    1    .    2]" 1 
       554 1 66 LYS HA  1 66 LYS QB  2.400     .  3.100 2.181 2.175  2.185     .  0 0 "[    .    1    .    2]" 1 
       555 1 66 LYS HA  1 66 LYS QG  2.400     .  5.500 3.345 3.318  3.392     .  0 0 "[    .    1    .    2]" 1 
       556 1 66 LYS HA  1 67 GLU HB2 2.400     .  5.500 4.811 4.668  4.913     .  0 0 "[    .    1    .    2]" 1 
       557 1 66 LYS HA  1 67 GLU HB2 2.200     .  5.500 3.831 3.654  3.970     .  0 0 "[    .    1    .    2]" 1 
       558 1 66 LYS HA  1 69 ILE H   3.000     .  4.000 4.032 3.981  4.061 0.061  7 0 "[    .    1    .    2]" 1 
       559 1 66 LYS HA  1 69 ILE HB  2.400     .  5.500 4.059 3.828  4.279     .  0 0 "[    .    1    .    2]" 1 
       560 1 66 LYS HA  1 69 ILE MD  1.800     .  2.200 2.191 2.060  2.224 0.024 16 0 "[    .    1    .    2]" 1 
       561 1 66 LYS HB2 1 66 LYS HG2 2.500     .  3.300 2.615 2.466  2.684     .  0 0 "[    .    1    .    2]" 1 
       562 1 66 LYS QB  1 67 GLU H   3.100     .  4.300 3.444 3.233  3.587     .  0 0 "[    .    1    .    2]" 1 
       563 1 66 LYS HD2 1 66 LYS HG2 1.800     .  2.200 2.203 2.065  2.375 0.175  7 0 "[    .    1    .    2]" 1 
       564 1 66 LYS QD  1 67 GLU H   3.100     .  4.300 3.858 2.988  4.335 0.035  8 0 "[    .    1    .    2]" 1 
       565 1 66 LYS QG  1 67 GLU QG  2.500     .  5.500 3.419 2.453  4.751     .  0 0 "[    .    1    .    2]" 1 
       566 1 67 GLU H   1 67 GLU HA  2.600     .  3.400 2.921 2.907  2.928     .  0 0 "[    .    1    .    2]" 1 
       567 1 67 GLU H   1 67 GLU HB2 2.600     .  3.400 2.235 2.182  2.346     .  0 0 "[    .    1    .    2]" 1 
       568 1 67 GLU H   1 67 GLU HB3 2.600     .  5.500 3.346 2.997  3.553     .  0 0 "[    .    1    .    2]" 1 
       569 1 67 GLU H   1 67 GLU QG  3.100     .  4.300 3.536 2.986  4.007     .  0 0 "[    .    1    .    2]" 1 
       570 1 67 GLU H   1 68 ARG H   2.500     .  3.300 2.138 2.074  2.221     .  0 0 "[    .    1    .    2]" 1 
       571 1 67 GLU HA  1 67 GLU QG  1.700     .  2.200 2.087 2.007  2.189     .  0 0 "[    .    1    .    2]" 1 
       572 1 67 GLU HB2 1 68 ARG H   2.600     .  3.400 3.248 2.986  3.585 0.185  2 0 "[    .    1    .    2]" 1 
       573 1 67 GLU O   1 71 GLU H   2.000     .  2.500 2.586 2.558  2.642 0.142 18 0 "[    .    1    .    2]" 1 
       574 1 68 ARG H   1 68 ARG HA  2.700     .  3.600 2.808 2.788  2.823     .  0 0 "[    .    1    .    2]" 1 
       575 1 68 ARG H   1 68 ARG QG  2.900     .  4.000 2.910 2.290  3.592     .  0 0 "[    .    1    .    2]" 1 
       576 1 68 ARG H   1 69 ILE H   2.800     .  3.800 2.699 2.627  2.799     .  0 0 "[    .    1    .    2]" 1 
       577 1 68 ARG HA  1 68 ARG HB3 1.600     .  2.200 2.003 1.920  2.040     .  0 0 "[    .    1    .    2]" 1 
       578 1 68 ARG HB3 1 69 ILE H   2.100     .  2.700 2.516 2.459  2.573     .  0 0 "[    .    1    .    2]" 1 
       579 1 68 ARG O   1 72 THR H   2.000     .  2.500 2.107 1.902  2.413     .  0 0 "[    .    1    .    2]" 1 
       580 1 69 ILE H   1 69 ILE HA  3.000     .  4.100 2.785 2.733  2.848     .  0 0 "[    .    1    .    2]" 1 
       581 1 69 ILE H   1 69 ILE HB  2.100     .  2.700 2.597 2.500  2.710 0.010 12 0 "[    .    1    .    2]" 1 
       582 1 69 ILE H   1 69 ILE MD  2.500     .  3.300 3.037 2.760  3.157     .  0 0 "[    .    1    .    2]" 1 
       583 1 69 ILE H   1 69 ILE MG  3.200     .  4.500 3.774 3.758  3.783     .  0 0 "[    .    1    .    2]" 1 
       584 1 69 ILE H   1 78 HIS QB  3.000     .  5.500 5.229 4.942  5.311     .  0 0 "[    .    1    .    2]" 1 
       585 1 69 ILE HA  1 69 ILE HB  1.900     .  2.400 2.227 2.108  2.358     .  0 0 "[    .    1    .    2]" 1 
       586 1 69 ILE HA  1 69 ILE MG  2.100     .  2.700 2.377 2.287  2.487     .  0 0 "[    .    1    .    2]" 1 
       587 1 69 ILE HA  1 72 THR H   3.000     .  4.100 3.232 3.129  3.338     .  0 0 "[    .    1    .    2]" 1 
       588 1 69 ILE HA  1 72 THR H   3.000     .  4.000 3.713 3.472  4.001 0.001 14 0 "[    .    1    .    2]" 1 
       589 1 69 ILE HB  1 71 GLU H   2.800     .  5.500 4.958 4.798  5.168     .  0 0 "[    .    1    .    2]" 1 
       590 1 69 ILE MG  1 73 VAL H   3.000     .  4.100 3.462 3.180  3.724     .  0 0 "[    .    1    .    2]" 1 
       591 1 69 ILE O   1 73 VAL H   2.000     .  2.500 1.896 1.803  1.985     .  0 0 "[    .    1    .    2]" 1 
       592 1 70 PRO O   1 74 LYS H   2.000     .  2.500 2.508 2.441  2.533 0.033  8 0 "[    .    1    .    2]" 1 
       593 1 71 GLU H   1 71 GLU HA  2.500     .  3.300 2.837 2.808  2.856     .  0 0 "[    .    1    .    2]" 1 
       594 1 71 GLU H   1 71 GLU HB2 2.200     .  2.800 2.177 2.065  2.562     .  0 0 "[    .    1    .    2]" 1 
       595 1 71 GLU H   1 71 GLU HG2 2.900     .  4.000 3.658 2.055  4.591 0.591  8 2 "[    .- + 1    .    2]" 1 
       596 1 71 GLU H   1 72 THR H   2.400     .  3.100 2.773 2.634  2.935     .  0 0 "[    .    1    .    2]" 1 
       597 1 71 GLU HA  1 71 GLU HG2 2.300     .  3.000 3.024 2.282  3.675 0.675 20 5 "[*-  .    1    .  **+]" 1 
       598 1 71 GLU QB  1 71 GLU HG3 1.800     .  2.200 2.292 2.139  2.523 0.323 17 0 "[    .    1    .    2]" 1 
       599 1 71 GLU HB3 1 72 THR H   2.600     .  3.400 2.821 2.211  3.364     .  0 0 "[    .    1    .    2]" 1 
       600 1 71 GLU HB3 1 72 THR HA  2.000     .  5.500 2.744 1.668  3.517     .  0 0 "[    .    1    .    2]" 1 
       601 1 71 GLU O   1 75 LYS H   2.000     .  2.500 2.600 2.578  2.644 0.144 20 0 "[    .    1    .    2]" 1 
       602 1 72 THR H   1 72 THR HA  2.800     .  3.800 2.782 2.765  2.810     .  0 0 "[    .    1    .    2]" 1 
       603 1 72 THR H   1 72 THR HB  2.500     .  3.300 3.120 2.729  3.400 0.100  4 0 "[    .    1    .    2]" 1 
       604 1 72 THR H   1 72 THR MG  3.300     .  4.700 3.410 3.006  3.723     .  0 0 "[    .    1    .    2]" 1 
       605 1 72 THR H   1 73 VAL H   2.500     .  3.300 2.800 2.697  2.916     .  0 0 "[    .    1    .    2]" 1 
       606 1 72 THR H   1 73 VAL MG1 3.300     .  4.700 4.278 3.789  5.424 0.724 12 1 "[    .    1 +  .    2]" 1 
       607 1 72 THR HA  1 75 LYS H   3.000     .  4.000 3.468 3.306  3.849     .  0 0 "[    .    1    .    2]" 1 
       608 1 72 THR HB  1 72 THR MG  1.800     .  2.200 2.093 2.072  2.113     .  0 0 "[    .    1    .    2]" 1 
       609 1 72 THR HB  1 73 VAL H   2.900     .  4.000 2.881 2.344  3.244     .  0 0 "[    .    1    .    2]" 1 
       610 1 72 THR MG  1 75 LYS QE  2.600     .  3.400 3.300 2.920  3.436 0.036 17 0 "[    .    1    .    2]" 1 
       611 1 72 THR MG  1 78 HIS HA  2.200     .  2.800 2.547 1.594  2.824 0.024 18 0 "[    .    1    .    2]" 1 
       612 1 73 VAL H   1 73 VAL HA  3.000     .  4.100 2.813 2.770  2.871     .  0 0 "[    .    1    .    2]" 1 
       613 1 73 VAL H   1 73 VAL HB  2.500     .  3.300 2.847 2.394  3.578 0.278  3 0 "[    .    1    .    2]" 1 
       614 1 73 VAL H   1 74 LYS H   2.400     .  3.100 2.596 2.411  2.737     .  0 0 "[    .    1    .    2]" 1 
       615 1 73 VAL HA  1 73 VAL HB  2.000     .  2.500 2.486 2.297  2.710 0.210 12 0 "[    .    1    .    2]" 1 
       616 1 73 VAL HA  1 73 VAL MG2 2.500     .  3.300 2.536 2.077  3.204     .  0 0 "[    .    1    .    2]" 1 
       617 1 73 VAL HA  1 76 LEU H   3.000     .  4.000 4.078 4.030  4.135 0.135 17 0 "[    .    1    .    2]" 1 
       618 1 73 VAL HB  1 73 VAL QG  1.800     .  2.200 1.673 1.666  1.680     .  0 0 "[    .    1    .    2]" 1 
       619 1 73 VAL HB  1 77 GLY HA2 2.100     .  5.500 3.369 3.154  3.973     .  0 0 "[    .    1    .    2]" 1 
       620 1 74 LYS H   1 74 LYS HA  2.400     .  3.100 2.814 2.799  2.822     .  0 0 "[    .    1    .    2]" 1 
       621 1 74 LYS HA  1 74 LYS HD2 2.400     .  3.100 2.993 2.370  3.810 0.710  9 1 "[    .   +1    .    2]" 1 
       622 1 74 LYS HA  1 74 LYS HG2 2.300     .  3.000 3.217 2.056  3.769 0.769 10 8 "[* * .*-  +* * .    *]" 1 
       623 1 74 LYS QB  1 75 LYS H   2.000     .  2.500 2.515 2.299  2.552 0.052 15 0 "[    .    1    .    2]" 1 
       624 1 74 LYS QD  1 74 LYS HE3 2.000     .  2.500 2.101 2.084  2.131     .  0 0 "[    .    1    .    2]" 1 
       625 1 74 LYS HD3 1 74 LYS QE  1.800     .  2.200 1.940 1.859  2.126     .  0 0 "[    .    1    .    2]" 1 
       626 1 75 LYS H   1 75 LYS HA  2.600     .  3.400 2.917 2.905  2.922     .  0 0 "[    .    1    .    2]" 1 
       627 1 75 LYS H   1 75 LYS HD3 2.600     .  3.400 2.557 1.888  3.452 0.052 20 0 "[    .    1    .    2]" 1 
       628 1 75 LYS H   1 75 LYS QG  3.100     .  4.300 2.587 1.807  3.429 0.093 17 0 "[    .    1    .    2]" 1 
       629 1 75 LYS H   1 76 LEU H   2.500     .  3.300 2.838 2.605  2.958     .  0 0 "[    .    1    .    2]" 1 
       630 1 75 LYS HA  1 76 LEU H   3.500     .  5.000 3.557 3.533  3.616     .  0 0 "[    .    1    .    2]" 1 
       631 1 75 LYS QB  1 75 LYS QE  2.300     .  3.000 2.343 1.905  2.976     .  0 0 "[    .    1    .    2]" 1 
       632 1 75 LYS QD  1 75 LYS HE2 2.000     .  2.500 2.126 2.016  2.374     .  0 0 "[    .    1    .    2]" 1 
       633 1 75 LYS QE  1 75 LYS QG  2.500     .  3.300 2.344 1.952  2.740     .  0 0 "[    .    1    .    2]" 1 
       634 1 75 LYS QE  1 76 LEU QD  2.300     .  3.000 2.493 1.952  2.866     .  0 0 "[    .    1    .    2]" 1 
       635 1 76 LEU H   1 76 LEU HA  2.800     .  3.800 2.935 2.932  2.941     .  0 0 "[    .    1    .    2]" 1 
       636 1 76 LEU H   1 76 LEU QB  2.100     .  5.500 3.050 3.014  3.085     .  0 0 "[    .    1    .    2]" 1 
       637 1 76 LEU H   1 76 LEU QD  2.700     .  3.600 2.182 1.591  2.602 0.209  6 0 "[    .    1    .    2]" 1 
       638 1 76 LEU H   1 76 LEU HG  2.700     .  3.600 2.267 1.756  3.612 0.044  1 0 "[    .    1    .    2]" 1 
       639 1 76 LEU H   1 77 GLY H   2.600     .  3.400 3.258 3.105  3.408 0.008 20 0 "[    .    1    .    2]" 1 
       640 1 76 LEU HA  1 77 GLY H   2.700     .  3.600 3.441 3.384  3.476     .  0 0 "[    .    1    .    2]" 1 
       641 1 76 LEU HB2 1 76 LEU MD1 2.000     .  2.500 1.634 1.538  1.768     .  0 0 "[    .    1    .    2]" 1 
       642 1 76 LEU HB2 1 78 HIS H   2.900     .  4.000 4.051 4.013  4.128 0.128 20 0 "[    .    1    .    2]" 1 
       643 1 76 LEU QD  1 76 LEU HG  1.800     .  2.200 1.866 1.855  1.893     .  0 0 "[    .    1    .    2]" 1 
       644 1 76 LEU QD  1 76 LEU HG  2.000     .  2.500 1.749 1.735  1.767     .  0 0 "[    .    1    .    2]" 1 
       645 1 76 LEU QD  1 77 GLY H   3.200     .  4.500 2.094 1.880  2.427 0.020  9 0 "[    .    1    .    2]" 1 
       646 1 76 LEU QD  1 97 VAL MG1 2.500     .  3.300 3.106 2.706  3.327 0.027 16 0 "[    .    1    .    2]" 1 
       647 1 76 LEU HG  1 77 GLY H   3.300     .  4.700 2.487 2.265  3.027     .  0 0 "[    .    1    .    2]" 1 
       648 1 76 LEU HG  1 77 GLY HA2 2.600     .  5.500 5.021 4.497  5.932 0.432  9 0 "[    .    1    .    2]" 1 
       649 1 76 LEU HG  1 78 HIS H   3.400     .  4.800 4.806 4.643  4.867 0.067 13 0 "[    .    1    .    2]" 1 
       650 1 77 GLY H   1 77 GLY HA2 2.300     .  3.000 2.929 2.919  2.949     .  0 0 "[    .    1    .    2]" 1 
       651 1 77 GLY H   1 77 GLY HA3 2.400     .  3.100 2.605 2.534  2.629     .  0 0 "[    .    1    .    2]" 1 
       652 1 77 GLY H   1 78 HIS H   2.300     .  3.000 2.853 2.775  2.954     .  0 0 "[    .    1    .    2]" 1 
       653 1 77 GLY HA2 1 78 HIS H   3.100     .  4.300 3.523 3.489  3.540     .  0 0 "[    .    1    .    2]" 1 
       654 1 77 GLY HA2 1 78 HIS QB  1.800     .  5.500 4.909 4.360  5.065     .  0 0 "[    .    1    .    2]" 1 
       655 1 77 GLY HA3 1 78 HIS H   3.400     .  4.800 2.332 2.271  2.372     .  0 0 "[    .    1    .    2]" 1 
       656 1 78 HIS H   1 78 HIS HA  2.900     .  4.000 2.904 2.890  2.914     .  0 0 "[    .    1    .    2]" 1 
       657 1 78 HIS H   1 78 HIS QB  2.600     .  4.100 3.280 2.792  3.348     .  0 0 "[    .    1    .    2]" 1 
       658 1 78 HIS H   1 80 VAL QG  2.900     .  4.000 4.022 3.996  4.101 0.101 18 0 "[    .    1    .    2]" 1 
       659 1 78 HIS HA  1 78 HIS QB  2.200     .  2.800 2.170 2.152  2.419     .  0 0 "[    .    1    .    2]" 1 
       660 1 78 HIS HA  1 79 GLU H   2.200     .  2.800 2.357 2.250  2.502     .  0 0 "[    .    1    .    2]" 1 
       661 1 78 HIS HA  1 79 GLU QG  2.400     .  3.100 3.055 2.986  3.099     .  0 0 "[    .    1    .    2]" 1 
       662 1 78 HIS QB  1 79 GLU H   2.300     .  3.000 2.647 2.316  2.969     .  0 0 "[    .    1    .    2]" 1 
       663 1 78 HIS QB  1 79 GLU HA  2.000     .  5.500 4.232 4.089  4.389     .  0 0 "[    .    1    .    2]" 1 
       664 1 78 HIS QB  1 80 VAL QG  1.800     .  2.200 1.948 1.722  2.194     .  0 0 "[    .    1    .    2]" 1 
       665 1 78 HIS QB  1 80 VAL QG  2.600     .  3.400 1.930 1.721  2.175 0.079 12 0 "[    .    1    .    2]" 1 
       666 1 78 HIS QB  1 80 VAL QG  2.200     .  2.800 1.899 1.710  2.110     .  0 0 "[    .    1    .    2]" 1 
       667 1 78 HIS HE1 1 98 LYS H   5.000 3.000 10.000 9.877 9.529 10.017 0.017 14 0 "[    .    1    .    2]" 1 
       668 1 79 GLU H   1 95 ILE MD  2.700     .  3.600 3.449 2.553  3.644 0.044  9 0 "[    .    1    .    2]" 1 
       669 1 79 GLU H   1 96 LYS H   3.200 2.200  4.200 4.454 4.414  4.512 0.312 18 0 "[    .    1    .    2]" 1 
       670 1 79 GLU HA  1 79 GLU QB  2.300     .  3.000 2.081 2.012  2.214     .  0 0 "[    .    1    .    2]" 1 
       671 1 79 GLU HA  1 79 GLU QG  2.500     .  3.300 2.725 2.424  2.928     .  0 0 "[    .    1    .    2]" 1 
       672 1 79 GLU QB  1 80 VAL H   2.700     .  5.500 3.912 3.865  3.965     .  0 0 "[    .    1    .    2]" 1 
       673 1 79 GLU HB3 1 81 LEU QD  2.900     .  4.000 2.330 1.641  3.576 0.159 11 0 "[    .    1    .    2]" 1 
       674 1 79 GLU QG  1 95 ILE MG  1.900     .  2.400 1.942 1.677  2.257     .  0 0 "[    .    1    .    2]" 1 
       675 1 79 GLU QG  1 95 ILE HA  2.100     .  5.500 4.031 3.605  4.664     .  0 0 "[    .    1    .    2]" 1 
       676 1 80 VAL H   1 80 VAL HA  3.000     .  4.100 2.920 2.914  2.926     .  0 0 "[    .    1    .    2]" 1 
       677 1 80 VAL H   1 80 VAL HB  2.200     .  5.500 3.052 2.856  3.269     .  0 0 "[    .    1    .    2]" 1 
       678 1 80 VAL H   1 80 VAL QG  2.300     .  3.000 1.776 1.599  1.926 0.001 19 0 "[    .    1    .    2]" 1 
       679 1 80 VAL HA  1 80 VAL QG  2.000     .  2.500 2.184 1.954  2.407     .  0 0 "[    .    1    .    2]" 1 
       680 1 80 VAL HA  1 81 LEU H   2.100     .  2.700 2.127 2.110  2.139     .  0 0 "[    .    1    .    2]" 1 
       681 1 80 VAL HA  1 82 GLU H   3.000     .  4.100 3.746 3.576  3.845     .  0 0 "[    .    1    .    2]" 1 
       682 1 80 VAL HA  1 96 LYS H   3.400     .  4.800 4.257 4.079  4.537     .  0 0 "[    .    1    .    2]" 1 
       683 1 80 VAL HB  1 80 VAL QG  1.600     .  2.200 1.885 1.876  1.896     .  0 0 "[    .    1    .    2]" 1 
       684 1 80 VAL QG  1 81 LEU H   2.300     .  3.000 2.733 2.541  2.973     .  0 0 "[    .    1    .    2]" 1 
       685 1 80 VAL QG  1 82 GLU H   2.300     .  3.000 2.701 2.056  2.856     .  0 0 "[    .    1    .    2]" 1 
       686 1 80 VAL QG  1 94 TYR H   2.400     .  5.500 3.894 2.838  4.491     .  0 0 "[    .    1    .    2]" 1 
       687 1 81 LEU H   1 81 LEU QD  3.300     .  4.700 2.780 1.607  3.282 0.293 17 0 "[    .    1    .    2]" 1 
       688 1 81 LEU H   1 81 LEU HG  2.500     .  3.300 2.723 2.416  3.233     .  0 0 "[    .    1    .    2]" 1 
       689 1 81 LEU H   1 82 GLU H   2.500     .  3.300 1.838 1.757  1.911     .  0 0 "[    .    1    .    2]" 1 
       690 1 81 LEU H   1 95 ILE HA  2.800     .  3.800 3.652 3.538  3.822 0.022 18 0 "[    .    1    .    2]" 1 
       691 1 81 LEU H   1 96 LYS H   3.200     .  5.500 4.667 4.492  4.758     .  0 0 "[    .    1    .    2]" 1 
       692 1 81 LEU H   1 96 LYS QD  2.600     .  5.500 5.111 3.471  5.364     .  0 0 "[    .    1    .    2]" 1 
       693 1 81 LEU HA  1 81 LEU QB  2.000     .  2.500 2.161 2.148  2.171     .  0 0 "[    .    1    .    2]" 1 
       694 1 81 LEU HA  1 81 LEU QD  2.400     .  5.500 3.339 3.216  3.419     .  0 0 "[    .    1    .    2]" 1 
       695 1 81 LEU HA  1 82 GLU H   2.600     .  3.400 3.515 3.490  3.531 0.131 14 0 "[    .    1    .    2]" 1 
       696 1 81 LEU HB2 1 81 LEU QD  1.800     .  2.200 1.736 1.680  1.760     .  0 0 "[    .    1    .    2]" 1 
       697 1 81 LEU MD1 1 81 LEU MD2 2.000     .  2.500 2.028 1.853  2.090     .  0 0 "[    .    1    .    2]" 1 
       698 1 81 LEU QD  1 81 LEU HG  2.200     .  2.800 1.875 1.851  1.893     .  0 0 "[    .    1    .    2]" 1 
       699 1 81 LEU QD  1 82 GLU H   3.600     .  5.200 2.843 2.065  3.117     .  0 0 "[    .    1    .    2]" 1 
       700 1 81 LEU QD  1 94 TYR HB2 2.700     .  3.600 2.917 2.657  3.206     .  0 0 "[    .    1    .    2]" 1 
       701 1 81 LEU QD  1 94 TYR HB3 2.100     .  2.700 2.020 1.765  2.396     .  0 0 "[    .    1    .    2]" 1 
       702 1 81 LEU QD  1 96 LYS H   3.100     .  4.300 2.947 2.237  3.498     .  0 0 "[    .    1    .    2]" 1 
       703 1 81 LEU QD  1 96 LYS HA  2.700     .  3.600 3.431 3.082  3.660 0.060 18 0 "[    .    1    .    2]" 1 
       704 1 81 LEU QD  1 96 LYS QB  2.300     .  2.700 1.727 1.481  1.912 0.119 17 0 "[    .    1    .    2]" 1 
       705 1 81 LEU HG  1 82 GLU H   2.300     .  3.000 2.022 1.795  2.482     .  0 0 "[    .    1    .    2]" 1 
       706 1 81 LEU HG  1 94 TYR HB2 2.400     .  3.100 2.604 2.311  2.841     .  0 0 "[    .    1    .    2]" 1 
       707 1 81 LEU HG  1 94 TYR HB3 2.000     .  2.500 2.100 1.778  2.542 0.042 10 0 "[    .    1    .    2]" 1 
       708 1 82 GLU H   1 82 GLU HA  2.900     .  4.000 2.904 2.891  2.922     .  0 0 "[    .    1    .    2]" 1 
       709 1 82 GLU H   1 82 GLU HB2 3.000     .  4.100 3.086 2.882  3.606     .  0 0 "[    .    1    .    2]" 1 
       710 1 82 GLU H   1 82 GLU QG  3.200     .  5.500 4.197 3.962  4.445     .  0 0 "[    .    1    .    2]" 1 
       711 1 82 GLU H   1 94 TYR H   2.800     .  3.800 3.614 3.425  3.820 0.020  9 0 "[    .    1    .    2]" 1 
       712 1 82 GLU H   1 94 TYR HB2 2.700     .  3.600 2.555 2.307  2.733     .  0 0 "[    .    1    .    2]" 1 
       713 1 82 GLU H   1 94 TYR HB3 3.000     .  4.100 3.229 2.789  3.642     .  0 0 "[    .    1    .    2]" 1 
       714 1 82 GLU H   1 94 TYR O   2.000     .  2.500 2.673 2.615  2.779 0.279 17 0 "[    .    1    .    2]" 1 
       715 1 82 GLU HA  1 82 GLU QG  2.200     .  2.800 2.317 2.002  2.731     .  0 0 "[    .    1    .    2]" 1 
       716 1 82 GLU HA  1 83 ILE H   2.100     .  2.700 2.213 2.133  2.286     .  0 0 "[    .    1    .    2]" 1 
       717 1 82 GLU HB2 1 82 GLU QG  1.800     .  2.200 2.232 2.125  2.524 0.324  8 0 "[    .    1    .    2]" 1 
       718 1 82 GLU HB3 1 83 ILE H   2.800     .  3.800 3.584 3.245  4.112 0.312  1 0 "[    .    1    .    2]" 1 
       719 1 82 GLU QG  1 83 ILE H   2.500     .  3.300 2.608 2.021  3.268     .  0 0 "[    .    1    .    2]" 1 
       720 1 82 GLU O   1 94 TYR H   2.000     .  2.500 1.945 1.808  2.108     .  0 0 "[    .    1    .    2]" 1 
       721 1 83 ILE H   1 83 ILE HB  2.400     .  3.100 2.940 2.827  3.291 0.191 15 0 "[    .    1    .    2]" 1 
       722 1 83 ILE H   1 83 ILE MD  2.500     .  3.300 3.054 2.616  3.438 0.138 15 0 "[    .    1    .    2]" 1 
       723 1 83 ILE HA  1 83 ILE HB  2.200     .  2.800 2.158 1.969  2.356     .  0 0 "[    .    1    .    2]" 1 
       724 1 83 ILE HA  1 83 ILE MD  2.400     .  3.100 2.722 2.236  3.131 0.031 14 0 "[    .    1    .    2]" 1 
       725 1 83 ILE HA  1 83 ILE MG  2.300     .  3.000 2.268 1.998  2.876     .  0 0 "[    .    1    .    2]" 1 
       726 1 83 ILE HA  1 84 GLU H   2.000     .  2.500 2.200 2.165  2.253     .  0 0 "[    .    1    .    2]" 1 
       727 1 83 ILE HA  1 84 GLU HG2 1.900     .  5.500 3.112 2.995  3.216     .  0 0 "[    .    1    .    2]" 1 
       728 1 83 ILE HA  1 94 TYR H   3.200     .  4.500 3.168 2.975  3.379     .  0 0 "[    .    1    .    2]" 1 
       729 1 83 ILE HB  1 83 ILE MD  1.700     .  2.200 1.776 1.718  1.867     .  0 0 "[    .    1    .    2]" 1 
       730 1 83 ILE MD  1 84 GLU H   2.600     .  5.500 4.985 3.395  5.269     .  0 0 "[    .    1    .    2]" 1 
       731 1 83 ILE MG  1 84 GLU H   3.300     .  4.700 2.478 2.088  4.217     .  0 0 "[    .    1    .    2]" 1 
       732 1 84 GLU H   1 84 GLU QG  2.400     .  3.100 2.462 2.183  2.686     .  0 0 "[    .    1    .    2]" 1 
       733 1 84 GLU H   1 92 LYS H   2.800     .  3.800 3.837 3.804  3.863 0.063 10 0 "[    .    1    .    2]" 1 
       734 1 84 GLU H   1 92 LYS O   2.000     .  2.500 2.066 1.999  2.166     .  0 0 "[    .    1    .    2]" 1 
       735 1 84 GLU H   1 93 ILE HA  3.200     .  4.500 3.073 2.778  3.374     .  0 0 "[    .    1    .    2]" 1 
       736 1 84 GLU HA  1 84 GLU QB  2.500     .  3.300 2.175 2.165  2.180     .  0 0 "[    .    1    .    2]" 1 
       737 1 84 GLU HA  1 85 GLU H   2.000     .  2.500 2.553 2.504  2.601 0.101 13 0 "[    .    1    .    2]" 1 
       738 1 84 GLU HB2 1 85 GLU H   2.800     .  3.800 2.064 1.916  2.299     .  0 0 "[    .    1    .    2]" 1 
       739 1 84 GLU HB2 1 85 GLU HA  2.300     .  5.500 3.546 3.400  3.724     .  0 0 "[    .    1    .    2]" 1 
       740 1 84 GLU QG  1 92 LYS HB2 2.200     .  2.800 2.096 1.706  2.600     .  0 0 "[    .    1    .    2]" 1 
       741 1 84 GLU QG  1 85 GLU H   3.100     .  4.300 3.394 2.895  3.706     .  0 0 "[    .    1    .    2]" 1 
       742 1 84 GLU HG3 1 92 LYS H   2.900     .  4.000 3.277 2.637  4.286 0.286 15 0 "[    .    1    .    2]" 1 
       743 1 84 GLU O   1 92 LYS H   2.000     .  2.500 2.195 1.948  2.397     .  0 0 "[    .    1    .    2]" 1 
       744 1 85 GLU H   1 85 GLU QG  2.300     .  3.000 2.220 1.948  2.709     .  0 0 "[    .    1    .    2]" 1 
       745 1 85 GLU HA  1 85 GLU QB  1.900     .  2.400 2.182 2.151  2.224     .  0 0 "[    .    1    .    2]" 1 
       746 1 85 GLU HA  1 85 GLU QG  1.900     .  5.500 3.019 2.669  3.126     .  0 0 "[    .    1    .    2]" 1 
       747 1 85 GLU HA  1 86 VAL H   2.200     .  2.800 2.440 2.349  2.575     .  0 0 "[    .    1    .    2]" 1 
       748 1 85 GLU HA  1 91 TRP HB2 2.000     .  5.500 3.326 2.406  4.329     .  0 0 "[    .    1    .    2]" 1 
       749 1 85 GLU HA  1 91 TRP HB3 2.200     .  2.800 2.452 1.986  2.813 0.013 17 0 "[    .    1    .    2]" 1 
       750 1 86 VAL H   1 86 VAL HA  2.900     .  4.000 2.943 2.924  2.949     .  0 0 "[    .    1    .    2]" 1 
       751 1 86 VAL H   1 86 VAL HB  2.800     .  3.800 3.010 2.642  3.722     .  0 0 "[    .    1    .    2]" 1 
       752 1 86 VAL H   1 86 VAL QG  2.700     .  3.600 2.399 1.840  2.827 0.060  6 0 "[    .    1    .    2]" 1 
       753 1 86 VAL H   1 87 GLY H   2.400     .  3.100 2.267 1.956  2.613     .  0 0 "[    .    1    .    2]" 1 
       754 1 86 VAL H   1 91 TRP HA  2.700     .  3.600 2.298 1.887  2.722     .  0 0 "[    .    1    .    2]" 1 
       755 1 86 VAL HA  1 86 VAL QG  1.900     .  2.400 2.129 1.988  2.406 0.006 14 0 "[    .    1    .    2]" 1 
       756 1 86 VAL HA  1 87 GLY H   2.600     .  5.500 3.571 3.556  3.576     .  0 0 "[    .    1    .    2]" 1 
       757 1 86 VAL MG1 1 86 VAL MG2 1.800     .  2.200 2.040 1.966  2.094     .  0 0 "[    .    1    .    2]" 1 
       758 1 86 VAL QG  1 87 GLY H   3.300     .  4.100 2.666 1.864  3.085 0.036 14 0 "[    .    1    .    2]" 1 
       759 1 86 VAL QG  1 91 TRP HA  2.100     .  2.700 2.419 1.688  2.697     .  0 0 "[    .    1    .    2]" 1 
       760 1 86 VAL QG  1 91 TRP HB2 2.600     .  5.500 3.073 2.256  3.755     .  0 0 "[    .    1    .    2]" 1 
       761 1 87 GLY H   1 87 GLY HA3 2.700     .  3.600 2.508 2.487  2.552     .  0 0 "[    .    1    .    2]" 1 
       762 1 87 GLY H   1 90 GLU H   2.800     .  3.800 3.674 3.324  3.809 0.009 17 0 "[    .    1    .    2]" 1 
       763 1 87 GLY H   1 90 GLU HB2 2.800     .  3.800 3.449 2.205  3.749     .  0 0 "[    .    1    .    2]" 1 
       764 1 87 GLY H   1 90 GLU HB3 3.400     .  4.800 4.626 3.905  4.815 0.015 17 0 "[    .    1    .    2]" 1 
       765 1 87 GLY H   1 90 GLU HG3 2.600     .  3.400 2.319 1.794  3.466 0.066  9 0 "[    .    1    .    2]" 1 
       766 1 87 GLY HA3 1 90 GLU HG2 2.500     .  3.300 2.717 2.114  3.152     .  0 0 "[    .    1    .    2]" 1 
       767 1 87 GLY HA3 1 90 GLU HG3 1.900     .  2.400 2.330 2.024  2.771 0.371 20 0 "[    .    1    .    2]" 1 
       768 1 89 SER H   1 89 SER HA  2.400     .  3.100 2.925 2.916  2.930     .  0 0 "[    .    1    .    2]" 1 
       769 1 89 SER H   1 89 SER QB  2.700     .  3.600 2.860 2.553  3.024     .  0 0 "[    .    1    .    2]" 1 
       770 1 89 SER H   1 90 GLU H   2.500     .  3.300 2.257 2.203  2.308     .  0 0 "[    .    1    .    2]" 1 
       771 1 89 SER H   1 90 GLU HG2 3.400     .  4.800 3.130 2.952  3.369     .  0 0 "[    .    1    .    2]" 1 
       772 1 89 SER HA  1 89 SER HB2 2.500     .  3.300 2.708 2.362  2.987     .  0 0 "[    .    1    .    2]" 1 
       773 1 89 SER HA  1 89 SER QB  1.800     .  2.200 2.186 2.158  2.234 0.034 15 0 "[    .    1    .    2]" 1 
       774 1 89 SER HA  1 90 GLU H   2.500     .  3.200 3.268 3.234  3.312 0.112 17 0 "[    .    1    .    2]" 1 
       775 1 90 GLU H   1 90 GLU HB2 3.000     .  4.100 3.531 3.177  3.599     .  0 0 "[    .    1    .    2]" 1 
       776 1 90 GLU H   1 90 GLU HB3 3.000     .  4.100 3.162 3.011  3.541     .  0 0 "[    .    1    .    2]" 1 
       777 1 90 GLU H   1 91 TRP H   5.000 3.000 55.000 4.480 4.379  4.549     .  0 0 "[    .    1    .    2]" 1 
       778 1 90 GLU HA  1 90 GLU HB2 2.400     .  3.100 2.640 2.567  2.881     .  0 0 "[    .    1    .    2]" 1 
       779 1 90 GLU HA  1 90 GLU HB3 2.100     .  2.700 2.304 2.237  2.348     .  0 0 "[    .    1    .    2]" 1 
       780 1 90 GLU HA  1 91 TRP H   2.100     .  2.700 2.169 2.134  2.217     .  0 0 "[    .    1    .    2]" 1 
       781 1 90 GLU HB3 1 91 TRP H   3.500     .  5.000 3.947 3.484  4.168     .  0 0 "[    .    1    .    2]" 1 
       782 1 90 GLU HG3 1 91 TRP H   3.200     .  5.500 4.966 4.570  5.605 0.105  9 0 "[    .    1    .    2]" 1 
       783 1 91 TRP H   1 91 TRP HB2 3.100     .  4.300 3.317 2.710  3.814     .  0 0 "[    .    1    .    2]" 1 
       784 1 91 TRP H   1 91 TRP HE3 3.500     .  5.000 4.412 3.489  4.915     .  0 0 "[    .    1    .    2]" 1 
       785 1 91 TRP HA  1 91 TRP HB2 2.500     .  3.300 2.828 2.598  3.027     .  0 0 "[    .    1    .    2]" 1 
       786 1 91 TRP HA  1 91 TRP HB3 2.200     .  2.800 2.346 2.261  2.444     .  0 0 "[    .    1    .    2]" 1 
       787 1 91 TRP HA  1 92 LYS H   2.200     .  2.800 2.440 2.369  2.509     .  0 0 "[    .    1    .    2]" 1 
       788 1 91 TRP HB2 1 92 LYS H   3.000     .  4.100 2.835 2.206  3.533     .  0 0 "[    .    1    .    2]" 1 
       789 1 91 TRP HB2 1 93 ILE MD  2.400     .  5.500 3.185 2.261  4.202     .  0 0 "[    .    1    .    2]" 1 
       790 1 91 TRP HB3 1 92 LYS H   2.600     .  3.400 2.924 2.343  3.478 0.078  7 0 "[    .    1    .    2]" 1 
       791 1 91 TRP HD1 1 92 LYS H   3.500     .  5.000 4.314 4.047  4.610     .  0 0 "[    .    1    .    2]" 1 
       792 1 92 LYS H   1 92 LYS HB3 2.700     .  3.600 3.066 2.555  3.586     .  0 0 "[    .    1    .    2]" 1 
       793 1 92 LYS H   1 92 LYS QD  2.600     .  5.500 4.755 4.493  5.019     .  0 0 "[    .    1    .    2]" 1 
       794 1 92 LYS H   1 92 LYS QG  2.900     .  4.000 3.942 3.440  4.106 0.106 20 0 "[    .    1    .    2]" 1 
       795 1 92 LYS HA  1 92 LYS QG  2.200     .  2.800 2.237 2.016  2.588     .  0 0 "[    .    1    .    2]" 1 
       796 1 92 LYS HA  1 93 ILE H   2.200     .  2.800 2.176 2.137  2.253     .  0 0 "[    .    1    .    2]" 1 
       797 1 92 LYS QB  1 92 LYS HG3 2.000     .  2.500 2.107 2.077  2.127     .  0 0 "[    .    1    .    2]" 1 
       798 1 92 LYS HB2 1 92 LYS HG3 1.800     .  2.200 2.157 2.135  2.175     .  0 0 "[    .    1    .    2]" 1 
       799 1 92 LYS QD  1 92 LYS HG2 1.800     .  2.200 2.029 1.933  2.101     .  0 0 "[    .    1    .    2]" 1 
       800 1 92 LYS QD  1 92 LYS QG  2.100     .  2.700 1.982 1.882  2.063     .  0 0 "[    .    1    .    2]" 1 
       801 1 92 LYS QD  1 93 ILE H   2.700     .  5.500 4.403 3.519  4.904     .  0 0 "[    .    1    .    2]" 1 
       802 1 92 LYS HG3 1 93 ILE H   2.600     .  3.400 3.328 2.143  3.792 0.392  3 0 "[    .    1    .    2]" 1 
       803 1 93 ILE H   1 93 ILE HB  2.400     .  3.100 2.838 2.676  3.102 0.002 14 0 "[    .    1    .    2]" 1 
       804 1 93 ILE HA  1 94 TYR H   2.100     .  2.700 2.270 2.191  2.411     .  0 0 "[    .    1    .    2]" 1 
       805 1 93 ILE HB  1 93 ILE MD  1.500     .  2.200 1.922 1.826  2.098     .  0 0 "[    .    1    .    2]" 1 
       806 1 93 ILE HB  1 93 ILE MG  1.800     .  2.200 2.113 2.083  2.126     .  0 0 "[    .    1    .    2]" 1 
       807 1 93 ILE HB  1 94 TYR H   3.200     .  4.500 3.650 3.176  3.938     .  0 0 "[    .    1    .    2]" 1 
       808 1 93 ILE MG  1 95 ILE MD  2.500     .  3.300 2.739 2.231  3.295     .  0 0 "[    .    1    .    2]" 1 
       809 1 94 TYR H   1 94 TYR HB2 2.600     .  3.400 2.500 2.424  2.608     .  0 0 "[    .    1    .    2]" 1 
       810 1 94 TYR H   1 94 TYR HB3 2.800     .  3.800 3.655 3.496  3.731     .  0 0 "[    .    1    .    2]" 1 
       811 1 94 TYR H   1 94 TYR QD  3.500     .  5.000 2.948 2.563  3.493     .  0 0 "[    .    1    .    2]" 1 
       812 1 94 TYR HA  1 94 TYR HB2 2.500     .  3.300 2.998 2.941  3.023     .  0 0 "[    .    1    .    2]" 1 
       813 1 94 TYR HA  1 94 TYR HB3 2.100     .  2.700 2.609 2.523  2.731 0.031 15 0 "[    .    1    .    2]" 1 
       814 1 94 TYR HA  1 95 ILE H   2.200     .  2.800 2.125 2.107  2.148     .  0 0 "[    .    1    .    2]" 1 
       815 1 94 TYR HB3 1 95 ILE H   3.200     .  4.500 3.357 3.107  3.606     .  0 0 "[    .    1    .    2]" 1 
       816 1 94 TYR QD  1 95 ILE H   3.500     .  5.000 4.206 3.706  4.587     .  0 0 "[    .    1    .    2]" 1 
       817 1 95 ILE H   1 95 ILE HB  2.300     .  3.000 2.521 2.392  2.832     .  0 0 "[    .    1    .    2]" 1 
       818 1 95 ILE H   1 95 ILE MD  2.300     .  5.500 3.788 3.416  4.173     .  0 0 "[    .    1    .    2]" 1 
       819 1 95 ILE HA  1 95 ILE MD  1.900     .  2.400 2.221 1.915  2.420 0.020 18 0 "[    .    1    .    2]" 1 
       820 1 95 ILE HA  1 95 ILE MG  2.500     .  3.300 2.848 2.465  3.163     .  0 0 "[    .    1    .    2]" 1 
       821 1 95 ILE HA  1 96 LYS H   2.100     .  2.700 2.290 2.165  2.328     .  0 0 "[    .    1    .    2]" 1 
       822 1 95 ILE HB  1 96 LYS H   3.100     .  4.300 2.760 2.533  3.171     .  0 0 "[    .    1    .    2]" 1 
       823 1 95 ILE MD  1 96 LYS H   2.200     .  5.500 3.598 3.030  3.990     .  0 0 "[    .    1    .    2]" 1 
       824 1 96 LYS H   1 96 LYS QB  2.200     .  5.500 2.803 2.547  3.270     .  0 0 "[    .    1    .    2]" 1 
       825 1 96 LYS H   1 96 LYS QD  2.300     .  5.500 3.756 2.358  4.537     .  0 0 "[    .    1    .    2]" 1 
       826 1 96 LYS HA  1 96 LYS QB  2.500     .  3.300 2.219 2.146  2.458     .  0 0 "[    .    1    .    2]" 1 
       827 1 96 LYS HA  1 96 LYS QD  2.200     .  5.500 3.959 2.700  4.222     .  0 0 "[    .    1    .    2]" 1 
       828 1 96 LYS HA  1 96 LYS HG2 2.400     .  3.100 2.900 2.692  3.348 0.248 14 0 "[    .    1    .    2]" 1 
       829 1 96 LYS HA  1 97 VAL H   2.200     .  2.800 2.139 2.092  2.194     .  0 0 "[    .    1    .    2]" 1 
       830 1 96 LYS QB  1 97 VAL H   3.300     .  4.700 3.727 3.235  3.941     .  0 0 "[    .    1    .    2]" 1 
       831 1 96 LYS QD  1 96 LYS QG  2.000     .  2.500 2.042 2.026  2.074     .  0 0 "[    .    1    .    2]" 1 
       832 1 96 LYS QD  1 97 VAL H   3.000     .  5.500 4.671 4.538  4.913     .  0 0 "[    .    1    .    2]" 1 
       833 1 97 VAL H   1 97 VAL HA  3.000     .  4.100 2.833 2.784  2.890     .  0 0 "[    .    1    .    2]" 1 
       834 1 97 VAL H   1 97 VAL HB  2.400     .  3.100 2.746 2.565  2.936     .  0 0 "[    .    1    .    2]" 1 
       835 1 97 VAL H   1 97 VAL MG2 2.200     .  2.800 1.854 1.630  2.300     .  0 0 "[    .    1    .    2]" 1 
       836 1 97 VAL HA  1 97 VAL QG  1.900     .  2.400 2.130 2.055  2.174     .  0 0 "[    .    1    .    2]" 1 
       837 1 97 VAL HA  1 98 LYS H   2.400     .  3.100 2.154 2.138  2.267     .  0 0 "[    .    1    .    2]" 1 
       838 1 97 VAL HB  1 97 VAL QG  1.800     .  2.200 1.874 1.859  1.892     .  0 0 "[    .    1    .    2]" 1 
    stop_

save_



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