*HEADER    CALMODULIN-BINDING PROTEIN              16-APR-13   2M73              
*TITLE     SOLUTION STRUCTURE OF THE CALMODULIN-BINDING DOMAIN OF PLANT CALCIUM- 
*TITLE    2 ATPASE ACA8                                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CALCIUM-TRANSPORTING ATPASE 8, PLASMA MEMBRANE-TYPE;       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 43-67;                                        
*COMPND   5 SYNONYM: CA(2+)-ATPASE ISOFORM 8;                                    
*COMPND   6 EC: 3.6.3.8;                                                         
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA;                           
*SOURCE   3 ORGANISM_COMMON: MOUSE-EAR CRESS,THALE-CRESS;                        
*SOURCE   4 ORGANISM_TAXID: 3702;                                                
*SOURCE   5 GENE: ACA8, AT5G57110, MUL3.5;                                       
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    ACA8, PLANT CALMODULIN TARGET, CALMODULIN TAGET, CALCIUM-ATPASE,      
*KEYWDS   2 CALMODULIN-BINDING PROTEIN                                           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    1                                                                     
*AUTHOR    M.JAMSHIDIHA, H.ISHIDA, J.L.GIFFORD, H.J.VOGEL                        
*REVDAT   1   16-APR-14 2M73    0                                                


 12 LEU  H      13 ASN  HA      5.43 #SUP  0.95  #QF  0.95
  9 ALA  HA     12 LEU  H       3.80            #peak     2
 11 VAL  HA     14 ALA  H       4.23            #peak     4 #SUP  0.86  #QF  0.86
 14 ALA  H      15 SER  HA      5.48            #peak     6 #SUP  0.99  #QF  0.99
 13 ASN  HA     15 SER  H       4.80            #peak     8 #SUP  0.98  #QF  0.98
 15 SER  HA     18 PHE  H       4.12            #peak    10
 15 SER  H      15 SER  HB2     3.59            #peak    12 #SUP  0.74  #QF  0.74
 15 SER  H      15 SER  HB3     3.59            #peak    13 #SUP  0.97  #QF  0.97
 18 PHE  H      19 ARG  HA      5.50            #peak    14 #SUP  0.94  #QF  0.94
 11 VAL  HA     15 SER  H       4.71            #peak    16 #SUP  0.98  #QF  0.98
  3 GLN  H       5 TRP  HB2     5.12            #peak    18 #SUP  0.55  #QF  0.55
  2 LEU  H       5 TRP  HB2     4.85            #peak    19 #SUP  0.71  #QF  0.22
  4 GLN  H       5 TRP  HB2     5.01            #peak    19 #SUP  0.71  #QF  0.22
  5 TRP  H       5 TRP  HB2     3.35            #peak    20 #SUP  0.96  #QF  0.84
  5 TRP  H       5 TRP  HB3     3.64            #peak    20 #SUP  0.96  #QF  0.84
  5 TRP  HB3     6 ARG  H       3.69            #peak    21 #SUP  0.98  #QF  0.53
  5 TRP  HB3     8 ALA  H       5.38            #peak    22
  5 TRP  HB2     8 ALA  H       5.50            #peak    22
 10 LEU  H      11 VAL  HA      5.39            #peak    23 #SUP  0.99  #QF  0.99
  6 ARG  HA      8 ALA  H       5.38            #peak    24 #SUP  0.96  #QF  0.92
  6 ARG  HA     10 LEU  H       5.50            #peak    24 #SUP  0.96  #QF  0.92
  6 ARG  HA      9 ALA  H       4.12            #peak    25
 20 TYR  HA     23 ASP  H       3.86            #peak    30
 13 ASN  HA     16 ARG  H       4.22            #peak    33 #SUP  1.00  #QF  0.82
 18 PHE  HA     21 THR  H       4.74            #peak    33 #SUP  1.00  #QF  0.82
 20 TYR  HA     22 LEU  H       4.35            #peak    34
 20 TYR  HA     24 LEU  H       4.98            #peak    36
 23 ASP  HA     25 LYS  H       4.51            #peak    38
  9 ALA  HA     13 ASN  H       3.54            #peak    39
  7 LYS  HA     11 VAL  H       3.79            #peak    40
  4 GLN  HA      5 TRP  H       3.21            #peak    43 #SUP  0.80  #QF  0.80
  1 ARG  HA      2 LEU  H       3.29            #peak    44 #SUP  0.98  #QF  0.31
 21 THR  HA     24 LEU  H       4.06            #peak    46
  2 LEU  HA      6 ARG  H       4.24            #peak    50
 21 THR  H      21 THR  HB      3.44            #peak    51 #SUP  0.77  #QF  0.43
  4 GLN  HA      8 ALA  H       3.66            #peak    53 #SUP  0.99  #QF  0.37
  6 ARG  H       7 LYS  HA      4.90            #peak    55 #SUP  0.85  #QF  0.85
  7 LYS  HA     10 LEU  H       3.29            #peak    56
 19 ARG  HA     22 LEU  H       3.60            #peak    56
  4 GLN  HA      7 LYS  H       3.94            #peak    60 #SUP  0.54  #QF  0.54
 10 LEU  HA     13 ASN  HD21    5.05            #peak    61 #SUP  1.00
  9 ALA  HA     13 ASN  HD21    5.50            #peak    62 #SUP  0.97  #QF  0.97
 13 ASN  HA     13 ASN  HD21    5.27            #peak    63 #SUP  0.98  #QF  0.98
  5 TRP  HA      7 LYS  H       5.12            #peak    64 #SUP  0.99  #QF  0.99
  5 TRP  HB3     5 TRP  HE3     3.50            #peak    65 #SUP  0.93  #QF  0.93
  5 TRP  HE3     6 ARG  HA      4.22            #peak    66 #SUP  0.96  #QF  0.96
  2 LEU  HA      5 TRP  HE3     5.50            #peak    67 #SUP  0.96  #QF  0.96
  5 TRP  HA      5 TRP  HE3     4.17            #peak    68 #SUP  0.97  #QF  0.97
 23 ASP  HB2    24 LEU  H       4.74            #peak    69 #SUP  0.97  #QF  0.52
 23 ASP  HB3    24 LEU  H       4.96            #peak    69 #SUP  0.97  #QF  0.52
 22 LEU  H      23 ASP  HB2     4.81            #peak    70 #SUP  0.77  #QF  0.77
 23 ASP  H      23 ASP  HB2     3.32            #peak    71 #SUP  0.88  #QF  0.74
 13 ASN  H      13 ASN  HB2     3.57            #peak    72 #SUP  0.96  #QF  0.96
 13 ASN  H      13 ASN  HB3     3.57            #peak    73 #SUP  0.98  #QF  0.98
 18 PHE  H      18 PHE  HB2     3.21            #peak    74 #SUP  0.97  #QF  0.82
 20 TYR  H      20 TYR  HB2     3.54            #peak    75 #SUP  0.86  #QF  0.75
 20 TYR  H      20 TYR  HB3     3.54            #peak    75 #SUP  0.86  #QF  0.75
 18 PHE  HB3    19 ARG  H       3.38            #peak    76 #SUP  0.76  #QF  0.76
 17 ARG  H      17 ARG  HD2     5.11            #peak    77 #SUP  1.00  #QF  0.26
 17 ARG  H      17 ARG  HD3     5.11            #peak    77 #SUP  1.00  #QF  0.26
 17 ARG  H      18 PHE  HB2     5.09            #peak    78 #SUP  0.82  #QF  0.22
 20 TYR  HB2    21 THR  H       4.05            #peak    79 #SUP  0.91  #QF  0.55
 20 TYR  HB3    21 THR  H       4.05            #peak    79 #SUP  0.91  #QF  0.55
 11 VAL  QG1    12 LEU  H       4.24            #peak    83 #SUP  0.83  #QF  0.51
 10 LEU  QD1    14 ALA  H       4.70            #peak    84 #SUP  0.89  #QF  0.85
 11 VAL  QG1    14 ALA  H       5.50            #peak    84 #SUP  0.89  #QF  0.85
 11 VAL  QG2    14 ALA  H       5.50            #peak    85 #SUP  0.99  #QF  0.99
 11 VAL  QG1    15 SER  H       5.50            #peak    86 #SUP  0.88  #QF  0.88
 11 VAL  QG2    15 SER  H       5.50            #peak    87 #SUP  1.00
 11 VAL  QG2    12 LEU  H       4.24            #peak    88 #SUP  1.00
  9 ALA  QB     12 LEU  H       4.99            #peak    89 #SUP  1.00
  8 ALA  QB     12 LEU  H       5.45            #peak    90 #SUP  0.88  #QF  0.88
 12 LEU  H      12 LEU  HG      4.22            #peak    91 #SUP  0.93  #QF  0.93
 14 ALA  H      14 ALA  QB      3.08            #peak    94 #SUP  0.90  #QF  0.90
 10 LEU  HG     14 ALA  H       5.24            #peak    95 #SUP  0.81  #QF  0.81
 11 VAL  HB     12 LEU  H       3.72            #peak    97 #SUP  0.85  #QF  0.85
 12 LEU  H      13 ASN  HB3     5.50            #peak    98 #SUP  0.99  #QF  0.99
 12 LEU  H      13 ASN  HB2     5.50            #peak    99 #SUP  0.98  #QF  0.98
 13 ASN  HB2    14 ALA  H       4.03            #peak   100 #SUP  0.99  #QF  0.99
 13 ASN  HB3    14 ALA  H       4.03            #peak   101 #SUP  0.99  #QF  0.99
 14 ALA  QB     15 SER  H       3.55            #peak   102 #SUP  0.88  #QF  0.88
 17 ARG  HG2    18 PHE  H       4.28            #peak   106 #SUP  0.96  #QF  0.96
 17 ARG  HG3    18 PHE  H       4.28            #peak   107 #SUP  0.66  #QF  0.66
  3 GLN  H       3 GLN  HG2     5.26            #peak   108 #SUP  1.00  #QF  0.93
  3 GLN  H       3 GLN  HG3     5.26            #peak   108 #SUP  1.00  #QF  0.93
  4 GLN  H       4 GLN  HG2     5.43            #peak   109 #SUP  0.99  #QF  0.71
  4 GLN  H       4 GLN  HG3     5.43            #peak   109 #SUP  0.99  #QF  0.71
  4 GLN  HG2     5 TRP  H       5.50            #peak   110 #SUP  0.95  #QF  0.60
  4 GLN  HG3     5 TRP  H       5.50            #peak   110 #SUP  0.95  #QF  0.60
  3 GLN  HG2     4 GLN  H       5.50            #peak   111 #SUP  0.86  #QF  0.63
  3 GLN  HG3     4 GLN  H       5.50            #peak   111 #SUP  0.86  #QF  0.63
 13 ASN  HB3    15 SER  H       5.50            #peak   112 #SUP  0.99  #QF  0.99
 13 ASN  HB2    15 SER  H       5.50            #peak   113 #SUP  1.00
 15 SER  H      18 PHE  HB2     5.08            #peak   114 #SUP  0.76  #QF  0.76
  4 GLN  HB2     5 TRP  H       5.08            #peak   116 #SUP  1.00  #QF  0.99
  4 GLN  HB3     5 TRP  H       5.36            #peak   116 #SUP  1.00  #QF  0.99
  3 GLN  HB2     4 GLN  H       4.59            #peak   117 #SUP  0.95  #QF  0.78
  3 GLN  HB3     4 GLN  H       4.59            #peak   117 #SUP  0.95  #QF  0.78
  4 GLN  H       4 GLN  HB2     3.30            #peak   118 #SUP  0.83  #QF  0.38
 11 VAL  H      11 VAL  HB      3.53            #peak   118 #SUP  0.83  #QF  0.38
  3 GLN  H       3 GLN  HB2     4.15            #peak   119 #SUP  0.87  #QF  0.64
  3 GLN  H       3 GLN  HB3     4.15            #peak   119 #SUP  0.87  #QF  0.64
 17 ARG  H      17 ARG  HB3     2.98            #peak   123 #SUP  0.86  #QF  0.86
 17 ARG  H      17 ARG  HG2     3.82            #peak   125 #SUP  0.90  #QF  0.90
 17 ARG  H      17 ARG  HG3     3.82            #peak   127 #SUP  0.87  #QF  0.34
  6 ARG  H       9 ALA  QB      5.50            #peak   129 #SUP  0.80  #QF  0.80
  9 ALA  H       9 ALA  QB      3.16            #peak   130 #SUP  1.00
  9 ALA  QB     11 VAL  H       5.05            #peak   132 #SUP  0.99  #QF  0.29
  9 ALA  QB     13 ASN  H       5.30            #peak   132 #SUP  0.99  #QF  0.29
  2 LEU  HB3     3 GLN  H       3.81            #peak   135
  2 LEU  HB2     3 GLN  H       3.81            #peak   135
 24 LEU  H      24 LEU  HB2     4.18            #peak   138 #SUP  0.98  #QF  0.86
 24 LEU  H      24 LEU  HB3     4.18            #peak   138 #SUP  0.98  #QF  0.86
 22 LEU  H      22 LEU  HB2     4.14            #peak   140 #SUP  0.99  #QF  0.90
 22 LEU  H      22 LEU  HB3     4.14            #peak   140 #SUP  0.99  #QF  0.90
 10 LEU  H      10 LEU  HB2     3.76            #peak   141 #SUP  0.96  #QF  0.54
 10 LEU  H      10 LEU  HB3     3.76            #peak   141 #SUP  0.96  #QF  0.54
  6 ARG  HB2     7 LYS  H       4.38            #peak   143 #SUP  0.94  #QF  0.83
  6 ARG  HB3     7 LYS  H       4.38            #peak   143 #SUP  0.94  #QF  0.83
  7 LYS  H       7 LYS  HB2     3.70            #peak   144 #SUP  0.84  #QF  0.60
  7 LYS  H       7 LYS  HB3     3.70            #peak   144 #SUP  0.84  #QF  0.60
  7 LYS  H       8 ALA  QB      4.35            #peak   145 #SUP  0.93  #QF  0.93
 21 THR  H      21 THR  QG2     4.32            #peak   146 #SUP  0.98  #QF  0.46
 21 THR  QG2    22 LEU  H       4.68            #peak   146 #SUP  0.98  #QF  0.46
 21 THR  H      21 THR  HG21    3.87            #peak   147
 21 THR  QG2    23 ASP  H       5.50            #peak   148 #SUP  0.95  #QF  0.95
 20 TYR  H      21 THR  QG2     5.50            #peak   149 #SUP  0.74  #QF  0.74
 18 PHE  H      21 THR  QG2     5.50            #peak   150 #SUP  0.96  #QF  0.96
  9 ALA  QB     13 ASN  HD21    4.86            #peak   151 #SUP  0.96  #QF  0.96
  7 LYS  H      10 LEU  QD2     5.50            #peak   157 #SUP  0.79  #QF  0.55
 10 LEU  QD1    13 ASN  HD21    5.50            #peak   158 #SUP  0.77  #QF  0.77
 21 THR  QG2    24 LEU  H       5.50            #peak   160 #SUP  0.97  #QF  0.97
  5 TRP  HE3     9 ALA  QB      4.95            #peak   161 #SUP  0.42  #QF  0.42
  5 TRP  HE3     6 ARG  HG3     4.84            #peak   162 #SUP  0.94  #QF  0.94
  5 TRP  HE3     6 ARG  HG2     4.84            #peak   163 #SUP  0.66  #QF  0.66
  5 TRP  HE3     6 ARG  HB2     5.50            #peak   164 #SUP  1.00  #QF  0.96
  5 TRP  HE3     6 ARG  HB3     5.50            #peak   164 #SUP  1.00  #QF  0.96
  2 LEU  QD2     5 TRP  HE3     5.50            #peak   165 #SUP  0.93  #QF  0.93
 18 PHE  QE     22 LEU  QD1     4.36            #peak   166 #SUP  0.93  #QF  0.75
 18 PHE  QE     22 LEU  QD2     4.36            #peak   166 #SUP  0.93  #QF  0.75
 20 TYR  QD     23 ASP  HB3     5.50            #peak   180 #SUP  0.46  #QF  0.46
  5 TRP  HB3     5 TRP  HZ3     5.50            #peak   181 #SUP  0.99  #QF  0.99
 15 SER  HA     18 PHE  QE      5.50            #peak   182 #SUP  0.38  #QF  0.38
 15 SER  HA     18 PHE  QD      4.34            #peak   184 #SUP  0.92  #QF  0.39
  4 GLN  HA      4 GLN  HE21    5.50            #peak   187 #SUP  0.84  #QF  0.43
 18 PHE  QD     22 LEU  HA      5.50            #peak   187 #SUP  0.84  #QF  0.43
 18 PHE  QE     22 LEU  HA      5.50            #peak   187 #SUP  0.84  #QF  0.43
 18 PHE  QD     19 ARG  HA      4.85            #peak   188 #SUP  0.90  #QF  0.90
 20 TYR  HA     20 TYR  QE      4.75            #peak   193 #SUP  0.79  #QF  0.79
 18 PHE  HA     18 PHE  QE      4.60            #peak   194 #SUP  0.70  #QF  0.70
  5 TRP  HA      5 TRP  HD1     4.20            #peak   195 #SUP  0.99  #QF  0.86
 18 PHE  HA     18 PHE  QD      4.37            #peak   195 #SUP  0.99  #QF  0.86
 13 ASN  H      13 ASN  HD22    5.50            #peak   208 #SUP  0.64  #QF  0.29
 20 TYR  H      20 TYR  QE      5.50            #peak   208 #SUP  0.64  #QF  0.29
 20 TYR  QD     21 THR  H       4.35            #peak   210 #SUP  0.98  #QF  0.98
  6 ARG  H       6 ARG  HE      5.50            #peak   211 #SUP  0.64  #QF  0.35
 17 ARG  H      17 ARG  HE      5.50            #peak   212 #SUP  0.64  #QF  0.52
 17 ARG  H      18 PHE  QD      5.50            #peak   212 #SUP  0.64  #QF  0.52
 18 PHE  QD     22 LEU  H       4.42            #peak   213 #SUP  0.52  #QF  0.52
 18 PHE  QD     19 ARG  H       4.48            #peak   214 #SUP  0.41  #QF  0.41
  4 GLN  H       4 GLN  HE21    5.30            #peak   215 #SUP  1.00  #QF  0.25
 19 ARG  H      19 ARG  HE      5.35            #peak   216 #SUP  0.94  #QF  0.94
 20 TYR  H      20 TYR  QD      4.23            #peak   217 #SUP  0.99  #QF  0.99
 18 PHE  H      18 PHE  QD      4.45            #peak   218 #SUP  0.99  #QF  0.99
 13 ASN  H      13 ASN  HD21    5.02            #peak   219 #SUP  0.99  #QF  0.99
  5 TRP  H       5 TRP  HE3     5.09            #peak   220 #SUP  0.97  #QF  0.97
  5 TRP  HE3     6 ARG  H       5.23            #peak   221 #SUP  0.98  #QF  0.98
  6 ARG  H       7 LYS  H       3.80            #peak   222 #SUP  0.96  #QF  0.96
  7 LYS  H       8 ALA  H       3.76            #peak   223 #SUP  0.91  #QF  0.91
  5 TRP  H       7 LYS  H       4.75            #peak   224 #SUP  1.00  #QF  0.95
  9 ALA  H      10 LEU  H       3.36            #peak   225 #SUP  0.97  #QF  0.70
 22 LEU  H      23 ASP  H       3.60            #peak   225 #SUP  0.97  #QF  0.70
  4 GLN  H       7 LYS  H       5.50            #peak   226 #SUP  0.97  #QF  0.97
 10 LEU  H      11 VAL  H       3.74            #peak   227 #SUP  0.93  #QF  0.91
 20 TYR  H      21 THR  H       4.07            #peak   227 #SUP  0.93  #QF  0.91
 17 ARG  H      18 PHE  H       3.57            #peak   229 #SUP  0.88  #QF  0.88
 18 PHE  H      19 ARG  H       3.72            #peak   230 #SUP  0.92  #QF  0.92
 13 ASN  H      15 SER  H       4.52            #peak   231 #SUP  0.97  #QF  0.97
 15 SER  H      16 ARG  H       3.70            #peak   232 #SUP  0.95  #QF  0.95
 14 ALA  H      16 ARG  H       4.87            #peak   233 #SUP  0.89  #QF  0.89
 13 ASN  H      14 ALA  H       3.61            #peak   234 #SUP  0.93  #QF  0.93
 14 ALA  H      15 SER  H       3.85            #peak   235 #SUP  0.99  #QF  0.99
 12 LEU  H      15 SER  H       5.46            #peak   236 #SUP  0.99  #QF  0.99
 11 VAL  H      12 LEU  H       3.52            #peak   237 #SUP  0.95  #QF  0.76
 12 LEU  H      13 ASN  H       3.84            #peak   237 #SUP  0.95  #QF  0.76
 10 LEU  H      12 LEU  H       4.75            #peak   238 #SUP  0.98  #QF  0.98
 13 ASN  HD21   14 ALA  H       5.50            #peak   239 #SUP  0.98  #QF  0.98
  5 TRP  HA      5 TRP  HE1     5.50            #peak   243 #SUP  0.99  #QF  0.99
  5 TRP  HB2     5 TRP  HE1     5.00            #peak   246 #SUP  0.99  #QF  0.99
  4 GLN  HE21    8 ALA  QB      5.50            #peak   247 #SUP  0.68  #QF  0.44
 18 PHE  QD     22 LEU  HG      5.03            #peak   248 #SUP  0.66  #QF  0.66
 18 PHE  QE     22 LEU  HG      4.69            #peak   249 #SUP  0.69  #QF  0.69
  9 ALA  QB     13 ASN  HD22    5.49            #peak   255 #SUP  0.98  #QF  0.98
  5 TRP  HB3     6 ARG  HA      4.68            #peak   256 #SUP  0.97  #QF  0.97
  4 GLN  HA      5 TRP  HB2     5.37            #peak   257 #SUP  0.96  #QF  0.96
  2 LEU  HA      5 TRP  HB2     3.74            #peak   258
  2 LEU  HA      5 TRP  HB3     4.07            #peak   258
 15 SER  HA     18 PHE  HB2     3.49            #peak   262
 16 ARG  HA     16 ARG  HD2     4.51            #peak   263 #SUP  0.80  #QF  0.48
 16 ARG  HA     16 ARG  HD3     4.51            #peak   263 #SUP  0.80  #QF  0.48
 18 PHE  HB3    19 ARG  HA      4.87            #peak   265 #SUP  0.82  #QF  0.44
 10 LEU  HA     11 VAL  HA      5.39            #peak   266 #SUP  0.98  #QF  0.94
 11 VAL  HA     12 LEU  HA      5.50            #peak   266 #SUP  0.98  #QF  0.94
  6 ARG  HA      7 LYS  HA      4.74            #peak   268 #SUP  0.98  #QF  0.98
 18 PHE  HA     19 ARG  HA      5.37            #peak   274 #SUP  0.98  #QF  0.51
 19 ARG  HA     20 TYR  HA      5.50            #peak   274 #SUP  0.98  #QF  0.51
 20 TYR  HA     21 THR  HA      5.50            #peak   274 #SUP  0.98  #QF  0.51
  5 TRP  HA      6 ARG  HA      5.09            #peak   275 #SUP  0.95  #QF  0.95
 22 LEU  HA     23 ASP  HA      4.99            #peak   277 #SUP  0.89  #QF  0.89
  6 ARG  HA      6 ARG  HD2     5.50            #peak   278 #SUP  0.99  #QF  0.88
  6 ARG  HA      6 ARG  HD3     5.50            #peak   278 #SUP  0.99  #QF  0.88
  7 LYS  HA      7 LYS  HE2     5.50            #peak   279 #SUP  0.83  #QF  0.34
  7 LYS  HA      7 LYS  HE3     5.50            #peak   279 #SUP  0.83  #QF  0.34
 19 ARG  HA     23 ASP  HB2     5.50            #peak   279 #SUP  0.83  #QF  0.34
 23 ASP  HB3    24 LEU  HA      4.92            #peak   282 #SUP  0.62  #QF  0.62
 10 LEU  HA     13 ASN  HB2     4.08            #peak   284
 20 TYR  HA     23 ASP  HB2     3.91            #peak   287
 20 TYR  HA     23 ASP  HB3     4.18            #peak   287
 13 ASN  HA     16 ARG  HG2     4.40            #peak   290 #SUP  0.68  #QF  0.36
 13 ASN  HA     16 ARG  HG3     4.40            #peak   290 #SUP  0.68  #QF  0.36
  6 ARG  HA      6 ARG  HG2     3.82            #peak   298 #SUP  0.96  #QF  0.96
  6 ARG  HA      6 ARG  HG3     3.82            #peak   299 #SUP  0.99  #QF  0.99
  6 ARG  HA      9 ALA  HB2     3.48            #peak   300
  9 ALA  QB     10 LEU  HA      4.48            #peak   302 #SUP  0.93  #QF  0.93
  5 TRP  HA      8 ALA  QB      3.51            #peak   306 #SUP  0.38  #QF  0.38
 10 LEU  HG     11 VAL  HA      5.34            #peak   308 #SUP  0.96  #QF  0.96
 19 ARG  HA     22 LEU  HB2     3.96            #peak   316
 19 ARG  HA     22 LEU  HB3     3.96            #peak   316
  4 GLN  HB3     5 TRP  HB2     4.66            #peak   317 #SUP  0.22  #QF  0.22
 11 VAL  HA     14 ALA  HB2     3.52            #peak   336
 11 VAL  HA     11 VAL  QG2     3.47            #peak   337 #SUP  0.97  #QF  0.97
 21 THR  HA     21 THR  QG2     3.28            #peak   340 #SUP  0.99  #QF  0.99
 21 THR  QG2    22 LEU  HA      4.57            #peak   341 #SUP  0.80  #QF  0.80
 18 PHE  HA     21 THR  QG2     4.20            #peak   343 #SUP  0.80  #QF  0.80
 22 LEU  HA     22 LEU  QD1     4.28            #peak   345 #SUP  0.90  #QF  0.82
 22 LEU  HA     22 LEU  QD2     4.28            #peak   345 #SUP  0.90  #QF  0.82
 10 LEU  HA     10 LEU  QD1     3.23            #peak   347 #SUP  0.65  #QF  0.27
  7 LYS  HA     10 LEU  QD2     3.75            #peak   348 #SUP  0.49  #QF  0.27
 24 LEU  HA     24 LEU  QD1     4.08            #peak   349 #SUP  0.81  #QF  0.70
 24 LEU  HA     24 LEU  QD2     4.08            #peak   349 #SUP  0.81  #QF  0.70
  2 LEU  HA      2 LEU  QD2     4.13            #peak   350 #SUP  1.00
  2 LEU  HA      2 LEU  QD1     4.13            #peak   351 #SUP  0.99  #QF  0.99
 11 VAL  HA     11 VAL  QG1     3.47            #peak   352 #SUP  1.00
  7 LYS  HG3    11 VAL  QG2     3.53            #peak   353 #SUP  0.75  #QF  0.75
  7 LYS  HG2    11 VAL  QG2     3.53            #peak   354 #SUP  0.92  #QF  0.92
  7 LYS  HD3    11 VAL  QG2     3.53            #peak   355 #SUP  0.88  #QF  0.39
 10 LEU  HB3    11 VAL  QG2     3.52            #peak   357 #SUP  0.93  #QF  0.67
  9 ALA  QB     12 LEU  HB2     5.50            #peak   362 #SUP  0.84  #QF  0.69
  9 ALA  QB     12 LEU  HB3     5.50            #peak   362 #SUP  0.84  #QF  0.69
  4 GLN  HB2     8 ALA  QB      4.73            #peak   363 #SUP  0.84  #QF  0.60
  4 GLN  HB3     8 ALA  QB      4.91            #peak   363 #SUP  0.84  #QF  0.60
 12 LEU  HB3    12 LEU  QD1     3.52            #peak   366 #SUP  1.00  #QF  0.96
 12 LEU  HB3    12 LEU  QD2     3.52            #peak   366 #SUP  1.00  #QF  0.96
  2 LEU  HB2     2 LEU  QD1     3.52            #peak   370 #SUP  1.00  #QF  0.97
  2 LEU  HB3     2 LEU  QD1     3.52            #peak   370 #SUP  1.00  #QF  0.97
 10 LEU  QD1    14 ALA  QB      3.93            #peak   372 #SUP  0.63  #QF  0.42
 22 LEU  HB3    22 LEU  QD1     3.52            #peak   374 #SUP  1.00  #QF  0.99
 22 LEU  HB2    22 LEU  QD2     3.52            #peak   374 #SUP  1.00  #QF  0.99
  2 LEU  HA      5 TRP  H       4.06            #peak   377
  5 TRP  HB3     7 LYS  H       5.15            #peak   379 #SUP  0.99  #QF  0.99
  6 ARG  HD2     7 LYS  H       5.50            #peak   380 #SUP  0.83  #QF  0.59
  6 ARG  HD3     7 LYS  H       5.50            #peak   380 #SUP  0.83  #QF  0.59
 20 TYR  HB2    23 ASP  H       5.50            #peak   382 #SUP  0.89  #QF  0.28
 20 TYR  HB3    23 ASP  H       5.50            #peak   382 #SUP  0.89  #QF  0.28
 22 LEU  HB2    23 ASP  H       4.29            #peak   383 #SUP  0.95  #QF  0.62
 22 LEU  HB3    23 ASP  H       4.29            #peak   383 #SUP  0.95  #QF  0.62
  8 ALA  QB      9 ALA  H       3.28            #peak   384 #SUP  0.86  #QF  0.86
  4 GLN  H       8 ALA  QB      4.77            #peak   385 #SUP  0.81  #QF  0.81
  9 ALA  QB     10 LEU  H       3.64            #peak   386 #SUP  0.98  #QF  0.98
  4 GLN  HB3     8 ALA  H       5.50            #peak   387 #SUP  0.90  #QF  0.22
 10 LEU  H      11 VAL  HB      5.50            #peak   387 #SUP  0.90  #QF  0.22
  2 LEU  QD1     5 TRP  HE3     5.50            #peak   388 #SUP  0.63  #QF  0.63
  1 ARG  HA      1 ARG  HE      5.50            #peak   389 #SUP  0.83  #QF  0.46
 16 ARG  HA     16 ARG  HE      5.50            #peak   389 #SUP  0.83  #QF  0.46
 17 ARG  HA     20 TYR  QD      5.50            #peak   389 #SUP  0.83  #QF  0.46
 20 TYR  HA     20 TYR  QD      3.88            #peak   390 #SUP  0.98  #QF  0.98
 19 ARG  HA     19 ARG  HE      5.50            #peak   391 #SUP  0.76  #QF  0.46
 20 TYR  QD     21 THR  HA      5.50            #peak   391 #SUP  0.76  #QF  0.46
  5 TRP  HB2     5 TRP  HD1     3.46            #peak   392 #SUP  0.89  #QF  0.89
 18 PHE  HA     21 THR  HB      4.28            #peak   394
  4 GLN  HB3     5 TRP  HA      5.50            #peak   398 #SUP  0.87  #QF  0.64
  4 GLN  HG2     5 TRP  HA      5.50            #peak   399 #SUP  0.84  #QF  0.58
  4 GLN  HG3     5 TRP  HA      5.50            #peak   399 #SUP  0.84  #QF  0.58
 10 LEU  H      10 LEU  QD1     4.77            #peak   400 #SUP  1.00  #QF  0.97
 10 LEU  H      10 LEU  QD2     5.17            #peak   400 #SUP  1.00  #QF  0.97
  2 LEU  H       2 LEU  QD1     4.59            #peak   401 #SUP  0.97  #QF  0.29
 22 LEU  QD1    23 ASP  H       5.50            #peak   403 #SUP  0.94  #QF  0.74
 22 LEU  QD2    23 ASP  H       5.50            #peak   403 #SUP  0.94  #QF  0.74
  2 LEU  H       2 LEU  QD2     4.59            #peak   406 #SUP  0.68  #QF  0.32
  8 ALA  H       8 ALA  QB      3.07            #peak   407 #SUP  0.34  #QF  0.34
 19 ARG  HA     23 ASP  H       4.00            #peak   412
 17 ARG  HA     20 TYR  H       3.54            #peak   413
 10 LEU  HA     13 ASN  H       3.96            #peak   413
 10 LEU  HA     13 ASN  HB3     4.08            #peak   414
  1 ARG  H       1 ARG  QB      3.42            #peak   120
  1 ARG  QG      1 ARG  HE      3.60            #peak   251
  2 LEU  H       2 LEU  QB      2.93            #peak   133
  2 LEU  H       2 LEU  QQD     3.83            #peak   401
  2 LEU  HA      2 LEU  QQD     3.59            #peak   350
  2 LEU  QB      2 LEU  QQD     1.57            #peak   370
  2 LEU  HB2     2 LEU  QD2     3.52            #peak   370
  2 LEU  HB3     2 LEU  QD2     3.52            #peak   370
  2 LEU  QB      3 GLN  H       3.19            #peak   135
  2 LEU  QB      5 TRP  HB3     5.34            #peak   334
  2 LEU  QQD     3 GLN  H       5.19            #peak   406
  2 LEU  QQD     5 TRP  H       4.38            #peak   402
  2 LEU  QQD     6 ARG  H       5.15            #peak   408
  2 LEU  QQD     7 LYS  H       5.44            #peak   157
  3 GLN  H       3 GLN  QB      3.49            #peak   119
  3 GLN  H       3 GLN  QG      4.49            #peak   108
  3 GLN  H       3 GLN  QE2     5.34            #peak   208
  3 GLN  QB      4 GLN  H       3.92            #peak   117
  4 GLN  H       4 GLN  QG      4.62            #peak   109
  5 TRP  HB3     6 ARG  QB      4.88            #peak   335
  5 TRP  HB3     6 ARG  QG      4.16            #peak   333
  5 TRP  HE3     6 ARG  QB      4.69            #peak   164
  5 TRP  HE3     6 ARG  QG      4.10            #peak   162
  6 ARG  H       6 ARG  QB      3.26            #peak   124
  6 ARG  H       6 ARG  QG      3.99            #peak   128
  6 ARG  HA      6 ARG  QD      4.79            #peak   278
  6 ARG  QB      6 ARG  QD      1.56            #peak   321
  6 ARG  QB      7 LYS  H       3.65            #peak   143
  7 LYS  H       7 LYS  QB      3.03            #peak   144
  7 LYS  H      11 VAL  QQG     5.44            #peak   159
  7 LYS  HA     10 LEU  QB      5.34            #peak   294
  7 LYS  HA     11 VAL  QQG     3.52            #peak   338
  7 LYS  QB      7 LYS  QE      1.56            #peak   330
  7 LYS  QG     11 VAL  QQG     1.57            #peak   354
  7 LYS  HG2    11 VAL  QG1     3.53            #peak   354
  7 LYS  HG3    11 VAL  QG1     3.53            #peak   354
  7 LYS  QD     11 VAL  QQG     1.57            #peak   355
  7 LYS  HD2    11 VAL  QG1     3.53            #peak   355
  7 LYS  HD2    11 VAL  QG2     3.53            #peak   355
  7 LYS  HD3    11 VAL  QG1     3.53            #peak   355
  9 ALA  QB     12 LEU  QB      4.70            #peak   362
 10 LEU  H      10 LEU  QB      3.29            #peak   141
 10 LEU  H      11 VAL  QQG     4.41            #peak   156
 10 LEU  HA     11 VAL  QQG     5.06            #peak   339
 10 LEU  HA     13 ASN  QB      3.38            #peak   414
 10 LEU  QB     11 VAL  H       3.45            #peak   121
 10 LEU  QB     11 VAL  HA      5.34            #peak   310
 10 LEU  QB     11 VAL  QQG     1.57            #peak   357
 10 LEU  HB2    11 VAL  QG1     3.52            #peak   357
 10 LEU  HB2    11 VAL  QG2     3.52            #peak   357
 10 LEU  HB3    11 VAL  QG1     3.52            #peak   357
 10 LEU  HG     11 VAL  QQG     4.32            #peak   355
 11 VAL  HA     11 VAL  QQG     2.90            #peak   337
 11 VAL  HA     12 LEU  QB      5.34            #peak   309
 11 VAL  HA     15 SER  QB      4.41            #peak   267
 11 VAL  QQG    12 LEU  H       3.72            #peak    88
 11 VAL  QQG    12 LEU  QB      2.75            #peak   356
 11 VAL  QQG    14 ALA  H       4.83            #peak    84
 11 VAL  QQG    15 SER  H       4.43            #peak    86
 11 VAL  QQG    15 SER  QB      2.75            #peak   348
 12 LEU  H      12 LEU  QB      3.33            #peak    93
 12 LEU  H      12 LEU  QQD     4.64            #peak    83
 12 LEU  H      13 ASN  QB      4.64            #peak    99
 12 LEU  HA     12 LEU  QQD     3.70            #peak   347
 12 LEU  QB     12 LEU  QQD     1.57            #peak   366
 12 LEU  HB2    12 LEU  QD1     3.52            #peak   366
 12 LEU  HB2    12 LEU  QD2     3.52            #peak   366
 13 ASN  H      13 ASN  QB      3.05            #peak    72
 13 ASN  HA     16 ARG  QB      3.74            #peak   291
 13 ASN  HA     16 ARG  QG      3.86            #peak   290
 13 ASN  QB     14 ALA  H       3.53            #peak   100
 13 ASN  QB     14 ALA  QB      4.85            #peak   332
 13 ASN  QB     16 ARG  QB      1.56            #peak   331
 15 SER  H      15 SER  QB      3.08            #peak    12
 15 SER  H      16 ARG  QB      4.80            #peak   104
 15 SER  H      16 ARG  QG      4.68            #peak   103
 16 ARG  H      16 ARG  QB      3.12            #peak   122
 16 ARG  HA     16 ARG  QD      3.88            #peak   263
 16 ARG  QB     16 ARG  QD      1.56            #peak   319
 16 ARG  QD     17 ARG  H       5.01            #peak    78
 17 ARG  H      17 ARG  QG      3.35            #peak   125
 17 ARG  QG     18 PHE  HA      4.21            #peak   307
 18 PHE  QD     22 LEU  QB      4.77            #peak   250
 18 PHE  QD     22 LEU  QQD     3.93            #peak   167
 18 PHE  QE     22 LEU  QQD     3.76            #peak   166
 19 ARG  H      19 ARG  QB      3.53            #peak   121
 19 ARG  H      19 ARG  QG      3.29            #peak   134
 19 ARG  H      22 LEU  QQD     5.34            #peak   404
 19 ARG  HA     19 ARG  QD      5.34            #peak   265
 19 ARG  HA     22 LEU  QB      3.30            #peak   316
 19 ARG  HA     22 LEU  QQD     4.44            #peak   344
 20 TYR  H      20 TYR  QB      2.91            #peak    75
 20 TYR  H      22 LEU  QQD     5.44            #peak   405
 20 TYR  QB     21 THR  H       3.52            #peak    79
 21 THR  HA     24 LEU  QB      3.11            #peak   295
 21 THR  HA     24 LEU  QQD     4.80            #peak   344
 22 LEU  H      22 LEU  QB      3.38            #peak   140
 22 LEU  H      22 LEU  QQD     4.60            #peak   409
 22 LEU  HA     22 LEU  QQD     3.58            #peak   345
 22 LEU  QB     22 LEU  QQD     1.57            #peak   374
 22 LEU  HB2    22 LEU  QD1     3.52            #peak   374
 22 LEU  HB3    22 LEU  QD2     3.52            #peak   374
 22 LEU  QB     23 ASP  H       3.67            #peak   383
 22 LEU  QQD    23 ASP  H       4.78            #peak   403
 24 LEU  H      24 LEU  QB      3.48            #peak   138
 24 LEU  HA     24 LEU  QQD     3.44            #peak   349
 24 LEU  QB     25 LYS  H       3.38            #peak   139

  Entry H atom name         Submitted Coord H atom name
    1    H1   ARG   1           H        ARG   1   1.807   0.001   0.855
    2    HA   ARG   1           HA       ARG   1   2.187   1.023  -1.574
    3    HB2  ARG   1           1HB      ARG   1   3.417  -1.388  -0.296
    4    HB3  ARG   1           2HB      ARG   1   3.870  -0.961  -1.940
    5    HG2  ARG   1           1HG      ARG   1   4.299   1.394  -0.935
    6    HG3  ARG   1           2HG      ARG   1   4.355   0.525   0.600
    7    HD2  ARG   1           1HD      ARG   1   5.934  -0.549  -1.676
    8    HD3  ARG   1           2HD      ARG   1   6.520   0.910  -0.878
    9    HE   ARG   1           HE       ARG   1   5.920  -0.958   1.100
   10   HH11  ARG   1          1HH1      ARG   1   8.155  -0.559  -1.539
   11   HH12  ARG   1          2HH1      ARG   1   9.403  -1.503  -0.796
   12   HH21  ARG   1          1HH2      ARG   1   7.556  -2.203   2.089
   13   HH22  ARG   1          2HH2      ARG   1   9.061  -2.438   1.267
   14    H    LEU   2           H        LEU   2   2.029   0.451  -3.734
   15    HA   LEU   2           HA       LEU   2  -0.209  -0.970  -4.550
   16    HB2  LEU   2           1HB      LEU   2   1.218   0.725  -5.832
   17    HB3  LEU   2           2HB      LEU   2   2.233  -0.648  -6.267
   18    HG   LEU   2           HG       LEU   2  -0.607  -1.058  -6.838
   19   HD11  LEU   2          1HD1      LEU   2   0.094   1.491  -7.278
   20   HD12  LEU   2          2HD1      LEU   2  -1.023   0.601  -8.312
   21   HD13  LEU   2          3HD1      LEU   2   0.670   0.763  -8.778
   22   HD21  LEU   2          3HD2      LEU   2   0.325  -2.502  -8.240
   23   HD22  LEU   2          1HD2      LEU   2   1.918  -1.960  -7.712
   24   HD23  LEU   2          2HD2      LEU   2   1.138  -1.190  -9.094
   25    H    GLN   3           H        GLN   3   3.069  -2.060  -4.001
   26    HA   GLN   3           HA       GLN   3   3.016  -4.502  -5.338
   27    HB2  GLN   3           1HB      GLN   3   4.903  -3.242  -3.963
   28    HB3  GLN   3           2HB      GLN   3   4.376  -4.334  -2.689
   29    HG2  GLN   3           1HG      GLN   3   5.029  -5.410  -5.394
   30    HG3  GLN   3           2HG      GLN   3   6.322  -5.012  -4.263
   31   HE21  GLN   3          2HE2      GLN   3   4.183  -7.362  -5.266
   32   HE22  GLN   3          1HE2      GLN   3   4.325  -8.443  -3.926
   33    H    GLN   4           H        GLN   4   2.000  -6.374  -5.008
   34    HA   GLN   4           HA       GLN   4   0.708  -7.996  -4.072
   35    HB2  GLN   4           1HB      GLN   4   2.541  -7.744  -2.274
   36    HB3  GLN   4           2HB      GLN   4   1.327  -6.863  -1.356
   37    HG2  GLN   4           1HG      GLN   4   0.307  -8.730  -0.728
   38    HG3  GLN   4           2HG      GLN   4   0.307  -9.375  -2.368
   39   HE21  GLN   4          2HE2      GLN   4   2.998  -8.485  -0.256
   40   HE22  GLN   4          1HE2      GLN   4   3.723 -10.053  -0.224
   41    H    TRP   5           H        TRP   5  -0.169  -5.046  -4.412
   42    HA   TRP   5           HA       TRP   5  -2.538  -5.098  -2.684
   43    HB2  TRP   5           1HB      TRP   5  -0.898  -3.040  -3.095
   44    HB3  TRP   5           2HB      TRP   5  -1.960  -2.789  -4.478
   45    HD1  TRP   5           HD1      TRP   5  -1.743  -2.219  -0.790
   46    HE1  TRP   5           HE1      TRP   5  -3.928  -1.158   0.063
   47    HE3  TRP   5           HE3      TRP   5  -4.644  -2.878  -4.948
   48    HZ2  TRP   5           HZ2      TRP   5  -6.535  -0.666  -0.899
   49    HZ3  TRP   5           HZ3      TRP   5  -6.972  -2.084  -4.900
   50    HH2  TRP   5           HH2      TRP   5  -7.897  -1.002  -2.916
   51    H    ARG   6           H        ARG   6  -1.855  -4.095  -6.042
   52    HA   ARG   6           HA       ARG   6  -4.553  -4.819  -6.820
   53    HB2  ARG   6           1HB      ARG   6  -2.274  -3.381  -8.110
   54    HB3  ARG   6           2HB      ARG   6  -3.518  -4.080  -9.138
   55    HG2  ARG   6           1HG      ARG   6  -4.746  -2.272  -8.811
   56    HG3  ARG   6           2HG      ARG   6  -4.869  -2.697  -7.103
   57    HD2  ARG   6           1HD      ARG   6  -3.473  -1.064  -6.493
   58    HD3  ARG   6           2HD      ARG   6  -2.323  -1.463  -7.769
   59    HE   ARG   6           HE       ARG   6  -4.273  -0.216  -9.129
   60   HH11  ARG   6          1HH1      ARG   6  -2.542   0.620  -6.227
   61   HH12  ARG   6          2HH1      ARG   6  -2.664   2.328  -6.490
   62   HH21  ARG   6          1HH2      ARG   6  -4.441   2.031  -9.487
   63   HH22  ARG   6          2HH2      ARG   6  -3.745   3.130  -8.344
   64    H    LYS   7           H        LYS   7  -1.369  -6.146  -6.963
   65    HA   LYS   7           HA       LYS   7  -1.967  -8.029  -9.068
   66    HB2  LYS   7           1HB      LYS   7   0.322  -7.096  -8.662
   67    HB3  LYS   7           2HB      LYS   7   0.378  -8.013  -7.162
   68    HG2  LYS   7           1HG      LYS   7   1.578  -9.170  -8.915
   69    HG3  LYS   7           2HG      LYS   7   0.155 -10.095  -8.428
   70    HD2  LYS   7           1HD      LYS   7   0.428 -10.066 -10.864
   71    HD3  LYS   7           2HD      LYS   7  -1.066  -9.266 -10.367
   72    HE2  LYS   7           1HE      LYS   7   0.097  -7.087 -10.552
   73    HE3  LYS   7           2HE      LYS   7   1.521  -7.930 -11.157
   74    HZ1  LYS   7           3HZ      LYS   7  -0.421  -8.849 -12.776
   75    HZ2  LYS   7           1HZ      LYS   7   0.607  -7.557 -13.146
   76    HZ3  LYS   7           2HZ      LYS   7  -0.933  -7.259 -12.513
   77    H    ALA   8           H        ALA   8  -1.861  -8.001  -5.561
   78    HA   ALA   8           HA       ALA   8  -1.959 -10.757  -5.083
   79    HB1  ALA   8           1HB      ALA   8  -3.180  -9.980  -2.931
   80    HB2  ALA   8           2HB      ALA   8  -1.506  -9.492  -3.201
   81    HB3  ALA   8           3HB      ALA   8  -2.818  -8.358  -3.520
   82    H    ALA   9           H        ALA   9  -4.308  -8.654  -6.396
   83    HA   ALA   9           HA       ALA   9  -6.405 -10.687  -5.991
   84    HB1  ALA   9           1HB      ALA   9  -7.248  -8.801  -4.946
   85    HB2  ALA   9           2HB      ALA   9  -6.550  -7.702  -6.137
   86    HB3  ALA   9           3HB      ALA   9  -7.950  -8.688  -6.561
   87    H    LEU  10           H        LEU  10  -4.244  -9.761  -8.192
   88    HA   LEU  10           HA       LEU  10  -6.070  -9.912 -10.486
   89    HB2  LEU  10           1HB      LEU  10  -3.669  -8.457  -9.950
   90    HB3  LEU  10           2HB      LEU  10  -3.408  -9.510 -11.339
   91    HG   LEU  10           HG       LEU  10  -5.188  -8.466 -12.551
   92   HD11  LEU  10          1HD1      LEU  10  -5.808  -7.180  -9.919
   93   HD12  LEU  10          2HD1      LEU  10  -6.879  -8.053 -11.014
   94   HD13  LEU  10          3HD1      LEU  10  -6.315  -6.437 -11.436
   95   HD21  LEU  10          3HD2      LEU  10  -3.096  -6.780 -11.311
   96   HD22  LEU  10          1HD2      LEU  10  -4.388  -5.945 -12.174
   97   HD23  LEU  10          2HD2      LEU  10  -3.404  -7.147 -13.009
   98    H    VAL  11           H        VAL  11  -2.839 -11.143  -9.595
   99    HA   VAL  11           HA       VAL  11  -3.110 -13.368 -11.415
  100    HB   VAL  11           HB       VAL  11  -0.889 -14.063 -10.487
  101   HG11  VAL  11          1HG1      VAL  11  -1.300 -11.329 -11.654
  102   HG12  VAL  11          2HG1      VAL  11   0.314 -11.986 -11.374
  103   HG13  VAL  11          3HG1      VAL  11  -0.800 -12.813 -12.464
  104   HG21  VAL  11          3HG2      VAL  11  -1.216 -13.040  -8.250
  105   HG22  VAL  11          1HG2      VAL  11   0.310 -12.587  -9.010
  106   HG23  VAL  11          2HG2      VAL  11  -1.037 -11.449  -8.989
  107    H    LEU  12           H        LEU  12  -3.536 -12.762  -8.019
  108    HA   LEU  12           HA       LEU  12  -3.559 -15.556  -7.289
  109    HB2  LEU  12           1HB      LEU  12  -3.081 -13.279  -5.904
  110    HB3  LEU  12           2HB      LEU  12  -4.758 -13.586  -5.459
  111    HG   LEU  12           HG       LEU  12  -2.951 -15.899  -5.217
  112   HD11  LEU  12          1HD1      LEU  12  -1.534 -15.142  -3.647
  113   HD12  LEU  12          2HD1      LEU  12  -2.727 -14.050  -2.945
  114   HD13  LEU  12          3HD1      LEU  12  -1.841 -13.574  -4.394
  115   HD21  LEU  12          3HD2      LEU  12  -4.275 -15.425  -2.836
  116   HD22  LEU  12          1HD2      LEU  12  -4.800 -16.502  -4.131
  117   HD23  LEU  12          2HD2      LEU  12  -5.397 -14.844  -4.068
  118    H    ASN  13           H        ASN  13  -5.739 -13.439  -8.716
  119    HA   ASN  13           HA       ASN  13  -8.018 -15.107  -7.874
  120    HB2  ASN  13           1HB      ASN  13  -7.704 -12.236  -7.927
  121    HB3  ASN  13           2HB      ASN  13  -9.030 -12.727  -8.977
  122   HD21  ASN  13          2HD2      ASN  13  -8.921 -11.336  -6.341
  123   HD22  ASN  13          1HD2      ASN  13  -9.987 -12.237  -5.323
  124    H    ALA  14           H        ALA  14  -7.264 -12.861 -10.542
  125    HA   ALA  14           HA       ALA  14  -8.866 -14.018 -12.468
  126    HB1  ALA  14           1HB      ALA  14  -7.513 -11.839 -12.551
  127    HB2  ALA  14           2HB      ALA  14  -6.200 -12.841 -13.169
  128    HB3  ALA  14           3HB      ALA  14  -7.724 -12.743 -14.051
  129    H    SER  15           H        SER  15  -5.395 -14.635 -11.928
  130    HA   SER  15           HA       SER  15  -5.516 -16.943 -13.700
  131    HB2  SER  15           1HB      SER  15  -3.449 -15.140 -12.778
  132    HB3  SER  15           2HB      SER  15  -2.966 -16.819 -12.534
  133    HG   SER  15           HG       SER  15  -2.394 -16.095 -14.612
  134    H    ARG  16           H        ARG  16  -6.384 -16.461 -10.634
  135    HA   ARG  16           HA       ARG  16  -5.085 -18.304  -9.041
  136    HB2  ARG  16           1HB      ARG  16  -6.807 -18.038  -7.553
  137    HB3  ARG  16           2HB      ARG  16  -7.096 -16.644  -8.586
  138    HG2  ARG  16           1HG      ARG  16  -9.200 -17.457  -8.553
  139    HG3  ARG  16           2HG      ARG  16  -8.584 -18.437  -9.885
  140    HD2  ARG  16           1HD      ARG  16  -8.947 -20.301  -8.735
  141    HD3  ARG  16           2HD      ARG  16  -7.964 -19.707  -7.398
  142    HE   ARG  16           HE       ARG  16 -10.292 -18.431  -7.000
  143   HH11  ARG  16          1HH1      ARG  16  -9.536 -21.773  -7.618
  144   HH12  ARG  16          2HH1      ARG  16 -10.889 -22.380  -6.723
  145   HH21  ARG  16          1HH2      ARG  16 -12.076 -19.218  -5.818
  146   HH22  ARG  16          2HH2      ARG  16 -12.334 -20.926  -5.700
  147    H    ARG  17           H        ARG  17  -7.221 -18.850 -11.696
  148    HA   ARG  17           HA       ARG  17  -7.252 -21.732 -11.082
  149    HB2  ARG  17           1HB      ARG  17  -9.298 -21.914 -12.368
  150    HB3  ARG  17           2HB      ARG  17  -9.494 -20.690 -11.121
  151    HG2  ARG  17           1HG      ARG  17  -9.054 -18.947 -12.819
  152    HG3  ARG  17           2HG      ARG  17  -8.989 -20.211 -14.049
  153    HD2  ARG  17           1HD      ARG  17 -11.354 -19.606 -12.276
  154    HD3  ARG  17           2HD      ARG  17 -11.185 -19.111 -13.959
  155    HE   ARG  17           HE       ARG  17 -10.922 -21.941 -13.584
  156   HH11  ARG  17          1HH1      ARG  17 -13.180 -19.324 -13.999
  157   HH12  ARG  17          2HH1      ARG  17 -14.430 -20.333 -14.648
  158   HH21  ARG  17          1HH2      ARG  17 -12.560 -23.280 -14.437
  159   HH22  ARG  17          2HH2      ARG  17 -14.077 -22.583 -14.896
  160    H    PHE  18           H        PHE  18  -5.067 -20.419 -12.347
  161    HA   PHE  18           HA       PHE  18  -5.297 -21.075 -15.177
  162    HB2  PHE  18           1HB      PHE  18  -4.084 -19.002 -14.117
  163    HB3  PHE  18           2HB      PHE  18  -2.757 -20.137 -13.897
  164    HD1  PHE  18           HD1      PHE  18  -1.963 -21.420 -15.977
  165    HD2  PHE  18           HD2      PHE  18  -4.362 -17.908 -16.138
  166    HE1  PHE  18           HE1      PHE  18  -1.259 -21.050 -18.306
  167    HE2  PHE  18           HE2      PHE  18  -3.663 -17.533 -18.467
  168    HZ   PHE  18           HZ       PHE  18  -2.111 -19.105 -19.554
  169    H    ARG  19           H        ARG  19  -4.046 -22.388 -12.247
  170    HA   ARG  19           HA       ARG  19  -2.109 -24.132 -13.390
  171    HB2  ARG  19           1HB      ARG  19  -3.523 -24.058 -10.733
  172    HB3  ARG  19           2HB      ARG  19  -2.410 -25.353 -11.150
  173    HG2  ARG  19           1HG      ARG  19  -0.593 -23.810 -11.366
  174    HG3  ARG  19           2HG      ARG  19  -1.682 -22.434 -11.174
  175    HD2  ARG  19           1HD      ARG  19  -1.484 -24.528  -9.044
  176    HD3  ARG  19           2HD      ARG  19  -0.282 -23.243  -9.147
  177    HE   ARG  19           HE       ARG  19  -2.949 -22.229  -9.182
  178   HH11  ARG  19          1HH1      ARG  19  -0.428 -23.428  -7.102
  179   HH12  ARG  19          2HH1      ARG  19  -0.985 -22.561  -5.709
  180   HH21  ARG  19          1HH2      ARG  19  -3.693 -21.083  -7.355
  181   HH22  ARG  19          2HH2      ARG  19  -2.843 -21.228  -5.854
  182    H    TYR  20           H        TYR  20  -5.526 -24.436 -12.581
  183    HA   TYR  20           HA       TYR  20  -5.685 -27.232 -13.110
  184    HB2  TYR  20           1HB      TYR  20  -8.024 -25.352 -13.276
  185    HB3  TYR  20           2HB      TYR  20  -7.994 -27.028 -12.740
  186    HD1  TYR  20           HD2      TYR  20  -6.776 -27.545 -10.545
  187    HD2  TYR  20           HD1      TYR  20  -7.877 -23.608 -11.724
  188    HE1  TYR  20           HE2      TYR  20  -6.589 -26.799  -8.209
  189    HE2  TYR  20           HE1      TYR  20  -7.692 -22.850  -9.392
  190    HH   TYR  20           HH       TYR  20  -7.700 -23.701  -7.173
  191    H    THR  21           H        THR  21  -6.603 -24.339 -14.961
  192    HA   THR  21           HA       THR  21  -7.528 -25.724 -17.239
  193    HB   THR  21           HB       THR  21  -8.042 -23.333 -16.734
  194    HG1  THR  21           HG1      THR  21  -8.453 -24.015 -18.818
  195   HG21  THR  21          3HG2      THR  21  -5.337 -22.716 -17.900
  196   HG22  THR  21          1HG2      THR  21  -5.623 -22.787 -16.162
  197   HG23  THR  21          2HG2      THR  21  -6.483 -21.606 -17.150
  198    H    LEU  22           H        LEU  22  -4.355 -24.838 -16.154
  199    HA   LEU  22           HA       LEU  22  -3.113 -25.227 -18.734
  200    HB2  LEU  22           1HB      LEU  22  -2.160 -23.600 -17.243
  201    HB3  LEU  22           2HB      LEU  22  -1.978 -24.810 -15.975
  202    HG   LEU  22           HG       LEU  22  -0.540 -25.705 -18.258
  203   HD11  LEU  22          1HD1      LEU  22   1.129 -23.609 -17.902
  204   HD12  LEU  22          2HD1      LEU  22  -0.437 -22.802 -17.813
  205   HD13  LEU  22          3HD1      LEU  22  -0.015 -23.752 -19.237
  206   HD21  LEU  22          3HD2      LEU  22   0.416 -26.467 -16.372
  207   HD22  LEU  22          1HD2      LEU  22  -0.094 -25.069 -15.425
  208   HD23  LEU  22          2HD2      LEU  22   1.337 -24.964 -16.449
  209    H    ASP  23           H        ASP  23  -3.539 -27.028 -15.745
  210    HA   ASP  23           HA       ASP  23  -1.811 -29.182 -16.519
  211    HB2  ASP  23           1HB      ASP  23  -2.448 -28.486 -14.133
  212    HB3  ASP  23           2HB      ASP  23  -3.966 -29.334 -14.418
  213    H    LEU  24           H        LEU  24  -5.149 -28.379 -16.980
  214    HA   LEU  24           HA       LEU  24  -6.297 -30.864 -17.410
  215    HB2  LEU  24           1HB      LEU  24  -7.225 -28.381 -17.509
  216    HB3  LEU  24           2HB      LEU  24  -7.024 -28.640 -19.241
  217    HG   LEU  24           HG       LEU  24  -8.453 -30.740 -18.905
  218   HD11  LEU  24          1HD1      LEU  24  -9.854 -29.551 -16.671
  219   HD12  LEU  24          2HD1      LEU  24  -8.211 -30.023 -16.238
  220   HD13  LEU  24          3HD1      LEU  24  -9.321 -31.215 -16.915
  221   HD21  LEU  24          3HD2      LEU  24  -9.407 -28.979 -20.108
  222   HD22  LEU  24          1HD2      LEU  24  -9.462 -27.922 -18.697
  223   HD23  LEU  24          2HD2      LEU  24 -10.565 -29.294 -18.815
  224    H    LYS  25           H        LYS  25  -4.123 -29.036 -19.421
  225    HA   LYS  25           HA       LYS  25  -4.542 -30.148 -21.914
  226    HB2  LYS  25           1HB      LYS  25  -2.335 -29.474 -22.474
  227    HB3  LYS  25           2HB      LYS  25  -2.921 -28.307 -21.295
  228    HG2  LYS  25           1HG      LYS  25  -1.700 -29.575 -19.534
  229    HG3  LYS  25           2HG      LYS  25  -1.008 -30.579 -20.810
  230    HD2  LYS  25           1HD      LYS  25  -0.200 -28.402 -21.859
  231    HD3  LYS  25           2HD      LYS  25  -0.609 -27.639 -20.321
  232    HE2  LYS  25           1HE      LYS  25   1.144 -30.068 -20.428
  233    HE3  LYS  25           2HE      LYS  25   1.808 -28.457 -20.699
  234    HZ1  LYS  25           3HZ      LYS  25   1.450 -27.845 -18.547
  235    HZ2  LYS  25           1HZ      LYS  25   1.722 -29.498 -18.316
  236    HZ3  LYS  25           2HZ      LYS  25   0.142 -28.895 -18.329