*HEADER    TOXIN                                   21-FEB-18   6CGW              
*TITLE     SOLUTION NMR STRUCTURE OF JZTX-V, A NAV 1.7 INHIBITORY PEPTIDE        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BETA/KAPPA-THERAPHOTOXIN-CG2A;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 54-82;                                        
*COMPND   5 SYNONYM: BETA/KAPPA-TRTX-CG2A, JINGZHAOTOXIN-5, JINGZHAOTOXIN-V,     
*COMPND   6 JZTX-V, PEPTIDE F8-15.73;                                            
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CHILOBRACHYS GUANGXIENSIS;                      
*SOURCE   4 ORGANISM_COMMON: CHINESE EARTH TIGER TARANTULA;                      
*SOURCE   5 ORGANISM_TAXID: 278060                                               
*KEYWDS    FRACTIONATED TARANTULA VENOM, NAV 1.7 INHIBITOR, TOXIN                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    8                                                                     
*AUTHOR    J.B.JORDAN,K.ANDREWS                                                  
*REVDAT   1   02-MAY-18 6CGW    0                                                
# Restraints file 1: submit_noe.upl
7 TRP  H      24 TRP  HA      5.50            #peak 1 #SUP 0.21 #QF 0.21
21 CYSS H      25 CYSS HA      5.50            #peak 6 #SUP 0.65 #QF 0.65
  5 TRP  HA      5 TRP  HD1     5.50            #peak 25 #SUP 0.96 #QF 0.89
  8 THR  HB      9 CYSS H       5.50            #peak 42 #SUP 0.99 #QF 0.99
  7 TRP  HA      7 TRP  HD1     5.50            #peak 60 #SUP 0.93 #QF 0.93
  7 TRP  HD1    12 LYS  HE3     5.50            #peak 104 #SUP 0.76 #QF 0.76
  7 TRP  HD1    12 LYS  HE2     5.50            #peak 124 #SUP 0.28 #QF 0.28
  5 TRP  HD1     6 NLE  H       5.50            #peak 164 #SUP 0.77 #QF 0.53
24 TRP  H      25 CYSS H       5.50            #peak 170 #SUP 0.98 #QF 0.45
  7 TRP  H       8 THR  H       5.50            #peak 171 #SUP 1.00
23 LEU  H      24 TRP  H       5.50            #peak 171 #SUP 1.00
10 ASP  H      13 ARG  H       5.50            #peak 172 #SUP 0.97 #QF 0.87
11 SER  H      12 LYS  H       5.50            #peak 173 #SUP 1.00 #QF 0.85
12 LYS  H      13 ARG  H       5.50            #peak 173 #SUP 1.00 #QF 0.85
  5 TRP  H       7 TRP  HD1     5.50            #peak 181 #SUP 0.46 #QF 0.46
  3 GLN  H      16 CYSS H       5.50            #peak 189 #SUP 0.67 #QF 0.46
  3 GLN  HB3    18 GLY  H       5.50            #peak 211 #SUP 0.21 #QF 0.21
  3 GLN  HB2    18 GLY  H       5.50            #peak 215 #SUP 0.51 #QF 0.51
10 ASP  H      12 LYS  HB2     5.50            #peak 242 #SUP 0.81 #QF 0.81
  7 TRP  HD1    12 LYS  HB2     5.50            #peak 244 #SUP 0.59 #QF 0.59
13 ARG  H      13 ARG  HG3     5.50            #peak 259 #SUP 0.99 #QF 0.99
13 ARG  H      13 ARG  HG2     5.50            #peak 265 #SUP 1.00
17 GLU  H      19 LEU  HG      5.50            #peak 266 #SUP 0.84 #QF 0.65
19 LEU  HG     21 CYSS H       5.50            #peak 274 #SUP 0.22 #QF 0.22
17 GLU  H      19 LEU  HB2     5.50            #peak 278 #SUP 0.51 #QF 0.51
18 GLY  H      19 LEU  HB2     5.50            #peak 279 #SUP 0.54 #QF 0.54
  6 NLE  QE     24 TRP  HD1     5.50            #peak 323 #SUP 0.82 #QF 0.82
  6 NLE  H       6 NLE  QE      5.50            #peak 325 #SUP 0.92 #QF 0.92
25 CYSS HB3    26 ARG  HA      5.50            #peak 355 #SUP 0.28 #QF 0.28
25 CYSS HB2    26 ARG  HA      5.50            #peak 357 #SUP 0.97 #QF 0.64
19 LEU  HA     27 LYS  HB3     5.50            #peak 361 #SUP 0.90 #QF 0.35
  9 CYSS HA     12 LYS  HB2     5.50            #peak 362 #SUP 0.59 #QF 0.59
19 LEU  HA     27 LYS  HB2     5.50            #peak 363 #SUP 0.80 #QF 0.80
  3 GLN  HA     15 CYSS HA      5.50            #peak 372 #SUP 0.20 #QF 0.20
  3 GLN  HA      9 CYSS HA      5.50            #peak 373 #SUP 0.86 #QF 0.81
  9 CYSS HA     10 ASP  HA      5.50            #peak 373 #SUP 0.86 #QF 0.81
20 ARG  HA     25 CYSS HA      5.50            #peak 376 #SUP 0.25 #QF 0.25
  3 GLN  H       3 GLN  QG      5.34            #peak 155
  3 GLN  H      13 ARG  QG      5.34            #peak 262
  3 GLN  H      16 CYSS QB      5.34            #peak 150
  3 GLN  QB      9 CYSS HA      5.34            #peak 360
  3 GLN  QB      9 CYSS QB      5.18            #peak 420
  3 GLN  QB     15 CYSS QB      5.18            #peak 441
  3 GLN  QB     17 GLU  H       5.34            #peak 217
  3 GLN  QB     19 LEU  QQD     5.28            #peak 406
  3 GLN  QG     13 ARG  QB      4.76            #peak 445
  3 GLN  QG     13 ARG  QG      5.18            #peak 444
  5 TRP  H       7 TRP  QB      5.34            #peak 92
  5 TRP  H      19 LEU  QQD     5.44            #peak 298
  5 TRP  HA     19 LEU  QQD     5.44            #peak 365
  5 TRP  QB     27 LYS  QB      5.18            #peak 431
  5 TRP  QB     27 LYS  QD      5.18            #peak 425
  5 TRP  QB     27 LYS  QE      5.18            #peak 421
  5 TRP  HD1     6 NLE  QG      5.34            #peak 308
  5 TRP  HD1    19 LEU  QQD     5.44            #peak 302
  5 TRP  HD1    27 LYS  QB      5.34            #peak 253
  5 TRP  HE1     6 NLE  QG      5.34            #peak 348
  5 TRP  HE1    27 LYS  QG      5.34            #peak 347
  5 TRP  HE1    27 LYS  QD      5.34            #peak 346
  6 NLE  QB     24 TRP  HD1     5.34            #peak 231
  6 NLE  QG     24 TRP  HD1     5.34            #peak 310
  7 TRP  H      19 LEU  QQD     5.44            #peak 295
  7 TRP  HD1    19 LEU  QQD     5.44            #peak 293
  9 CYSS QB     13 ARG  H       5.34            #peak 95
10 ASP  H      12 LYS  QE      5.34            #peak 102
12 LYS  H      12 LYS  QE      5.34            #peak 103
12 LYS  H      13 ARG  QG      5.34            #peak 266
12 LYS  HB2    12 LYS  QE      5.34            #peak 430
13 ARG  H      13 ARG  QD      5.34            #peak 131
13 ARG  QG     15 CYSS H       5.34            #peak 262
13 ARG  QG     16 CYSS H       5.34            #peak 261
15 CYSS H      19 LEU  QQD     5.44            #peak 294
15 CYSS HA     19 LEU  QQD     5.44            #peak 365
15 CYSS QB     19 LEU  HA      5.34            #peak 356
15 CYSS QB     19 LEU  HB3     5.34            #peak 441
19 LEU  HA     20 ARG  QB      5.34            #peak 361
19 LEU  HB3    27 LYS  QB      5.34            #peak 443
19 LEU  QQD    21 CYSS H       5.44            #peak 301
19 LEU  QQD    21 CYSS QB      5.28            #peak 405
19 LEU  QQD    27 LYS  QG      5.28            #peak 455
20 ARG  QB     26 ARG  QD      5.18            #peak 428
20 ARG  QG     26 ARG  QD      5.18            #peak 431
20 ARG  QG     26 ARG  HE      5.34            #peak 352
26 ARG  H      26 ARG  QD      5.34            #peak 334
26 ARG  HA     26 ARG  QD      5.34            #peak 357
26 ARG  QD     27 LYS  H       5.34            #peak 145
27 LYS  H      27 LYS  QD      5.34            #peak 234
24 TRP  HA     25 CYSS H       3.34            #peak 1 #SUP 0.95 #QF 0.95
  7 TRP  H      24 TRP  HA      5.50            #peak 2 #SUP 0.93 #QF 0.88
23 LEU  H      24 TRP  HA      5.50            #peak 2 #SUP 0.93 #QF 0.88
  9 CYSS HA     15 CYSS H       4.43            #peak 4 #SUP 0.63 #QF 0.63
  7 TRP  H       9 CYSS HA      5.47            #peak 6 #SUP 0.92 #QF 0.92
26 ARG  HA     27 LYS  H       3.39            #peak 7 #SUP 0.95 #QF 0.95
  6 NLE  H      26 ARG  HA      4.58            #peak 8 #SUP 0.89 #QF 0.89
19 LEU  HA     20 ARG  H       3.13            #peak 9 #SUP 0.94 #QF 0.94
15 CYSS HA     16 CYSS H       3.15            #peak 10 #SUP 0.83 #QF 0.83
20 ARG  H      25 CYSS HA      4.67            #peak 14 #SUP 0.85 #QF 0.85
23 LEU  H      25 CYSS HA      5.50            #peak 17 #SUP 0.39 #QF 0.39
  6 NLE  H      25 CYSS HA      5.50            #peak 18 #SUP 0.94 #QF 0.94
20 ARG  HA     21 CYSS H       3.00            #peak 20 #SUP 0.98 #QF 0.93
  3 GLN  H      16 CYSS HA      5.50            #peak 21 #SUP 0.75 #QF 0.24
15 CYSS H      16 CYSS HA      5.50            #peak 21 #SUP 0.75 #QF 0.24
16 CYSS HA     18 GLY  H       5.00            #peak 23 #SUP 0.75 #QF 0.75
  8 THR  HA     25 CYSS H       4.70            #peak 24 #SUP 0.96 #QF 0.96
  3 GLN  H       3 GLN  HA      2.87            #peak 26 #SUP 0.43 #QF 0.43
21 CYSS HA     23 LEU  H       5.50            #peak 27 #SUP 0.66 #QF 0.54
20 ARG  H      27 LYS  HA      4.53            #peak 29 #SUP 0.96 #QF 0.96
17 GLU  HA     18 GLY  H       3.02            #peak 31 #SUP 0.70 #QF 0.70
22 LYS  HA     23 LEU  H       3.36            #peak 35 #SUP 0.87 #QF 0.87
  8 THR  H      24 TRP  HA      4.07            #peak 37 #SUP 0.99 #QF 0.78
  9 CYSS H      24 TRP  HA      3.48            #peak 38 #SUP 0.84 #QF 0.84
  9 CYSS HA     10 ASP  H       3.16            #peak 40 #SUP 0.97 #QF 0.97
  9 CYSS HA     12 LYS  H       5.50            #peak 41 #SUP 0.98 #QF 0.98
  8 THR  H       9 CYSS HA      5.05            #peak 43 #SUP 0.96 #QF 0.96
  5 TRP  HD1    26 ARG  HA      3.64            #peak 48 #SUP 0.88 #QF 0.88
19 LEU  HA     28 GLU  H       4.88            #peak 51 #SUP 0.98 #QF 0.98
  5 TRP  HA      5 TRP  HD1     4.04            #peak 55 #SUP 0.94 #QF 0.89
  7 TRP  HA      8 THR  H       3.26            #peak 56 #SUP 0.83 #QF 0.83
24 TRP  H      25 CYSS HA      4.76            #peak 57 #SUP 0.90 #QF 0.90
16 CYSS HA     17 GLU  H       2.92            #peak 64 #SUP 0.63 #QF 0.63
  8 THR  HA      9 CYSS H       3.06            #peak 73 #SUP 0.85 #QF 0.85
21 CYSS HA     22 LYS  H       3.12            #peak 75 #SUP 0.85 #QF 0.85
  3 GLN  HA      5 TRP  H       3.90            #peak 78 #SUP 0.59 #QF 0.59
10 ASP  HA     11 SER  H       3.35            #peak 81 #SUP 0.99 #QF 0.86
10 ASP  HA     12 LYS  H       4.35            #peak 82 #SUP 0.79 #QF 0.79
  8 THR  H       8 THR  HB      3.95            #peak 86 #SUP 0.96 #QF 0.96
27 LYS  HA     28 GLU  H       3.01            #peak 87 #SUP 0.87 #QF 0.87
  5 TRP  HD1    27 LYS  HA      5.02            #peak 88 #SUP 0.99 #QF 0.99
19 LEU  H      27 LYS  HA      5.50            #peak 89 #SUP 0.98 #QF 0.98
10 ASP  H      11 SER  HA      5.24            #peak 98 #SUP 0.94 #QF 0.94
24 TRP  HA     24 TRP  HD1     4.37            #peak 110 #SUP 0.97 #QF 0.97
  7 TRP  HD1     9 CYSS HA      4.18            #peak 111 #SUP 0.94 #QF 0.94
24 TRP  HD1    26 ARG  HA      5.32            #peak 114 #SUP 0.97 #QF 0.97
  7 TRP  HA     24 TRP  HD1     5.47            #peak 116 #SUP 0.88 #QF 0.88
24 TRP  HD1    25 CYSS HA      4.81            #peak 118 #SUP 0.98 #QF 0.98
  8 THR  HA     24 TRP  HD1     5.06            #peak 129 #SUP 0.97 #QF 0.97
  3 GLN  HA      7 TRP  HD1     4.17            #peak 131 #SUP 0.93 #QF 0.93
  7 TRP  HD1     8 THR  HB      4.81            #peak 133 #SUP 0.86 #QF 0.86
  6 NLE  HA      8 THR  H       3.70            #peak 145 #SUP 0.21 #QF 0.21
  7 TRP  HB3     7 TRP  HD1     3.58            #peak 146 #SUP 0.85 #QF 0.85
  6 NLE  HA      7 TRP  H       3.61            #peak 147 #SUP 0.99 #QF 0.33
  7 TRP  H       7 TRP  HB3     3.90            #peak 147 #SUP 0.99 #QF 0.33
  5 TRP  H       7 TRP  HB3     3.93            #peak 150 #SUP 0.26 #QF 0.26
  6 NLE  HA     24 TRP  HD1     3.25            #peak 155 #SUP 0.88 #QF 0.88
25 CYSS H      25 CYSS HB3     3.87            #peak 158 #SUP 0.99 #QF 0.99
  7 TRP  H       7 TRP  HB2     4.04            #peak 159 #SUP 0.97 #QF 0.97
  9 CYSS HB2    25 CYSS H       4.96            #peak 165 #SUP 0.94 #QF 0.94
  9 CYSS HB2    10 ASP  H       3.07            #peak 166 #SUP 0.84 #QF 0.84
  9 CYSS HB2    14 ALA  H       5.06            #peak 167 #SUP 0.97 #QF 0.85
  9 CYSS H       9 CYSS HB2     3.75            #peak 168 #SUP 0.99 #QF 0.99
  9 CYSS HB2    15 CYSS H       3.63            #peak 170 #SUP 0.84 #QF 0.84
10 ASP  H      12 LYS  HE2     5.06            #peak 178 #SUP 0.98 #QF 0.89
10 ASP  HB2    11 SER  H       3.52            #peak 179 #SUP 0.84 #QF 0.84
12 LYS  H      12 LYS  HE2     4.71            #peak 180 #SUP 0.99 #QF 0.59
15 CYSS HB3    25 CYSS H       5.50            #peak 188 #SUP 0.98 #QF 0.98
15 CYSS HB3    18 GLY  H       5.45            #peak 189 #SUP 0.45 #QF 0.45
15 CYSS HB3    20 ARG  H       4.70            #peak 190 #SUP 0.96 #QF 0.96
15 CYSS HB3    19 LEU  H       3.89            #peak 191 #SUP 0.93 #QF 0.93
15 CYSS H      15 CYSS HB3     4.17            #peak 192 #SUP 0.91 #QF 0.91
15 CYSS HB3    16 CYSS H       4.46            #peak 193 #SUP 0.87 #QF 0.53
15 CYSS HB3    21 CYSS H       4.74            #peak 193 #SUP 0.87 #QF 0.53
10 ASP  H      10 ASP  HB3     3.97            #peak 194 #SUP 0.99 #QF 0.99
10 ASP  HB3    11 SER  H       3.41            #peak 195 #SUP 0.87 #QF 0.87
  5 TRP  H       5 TRP  HB2     3.80            #peak 199 #SUP 0.95 #QF 0.87
24 TRP  HB3    25 CYSS H       4.51            #peak 205 #SUP 1.00
  9 CYSS H      12 LYS  HE3     5.50            #peak 206 #SUP 0.99 #QF 0.27
  9 CYSS H      24 TRP  HB3     5.50            #peak 206 #SUP 0.99 #QF 0.27
24 TRP  H      24 TRP  HB3     3.77            #peak 208 #SUP 0.97 #QF 0.97
23 LEU  H      24 TRP  HB3     5.01            #peak 213 #SUP 0.57 #QF 0.57
10 ASP  H      12 LYS  HE3     5.07            #peak 214 #SUP 0.95 #QF 0.95
12 LYS  H      12 LYS  HE3     4.32            #peak 215 #SUP 0.88 #QF 0.88
12 LYS  HE3    13 ARG  H       4.07            #peak 219 #SUP 0.48 #QF 0.48
20 ARG  H      25 CYSS HB2     4.76            #peak 240 #SUP 0.96 #QF 0.96
  6 NLE  H      25 CYSS HB2     4.39            #peak 241 #SUP 0.99 #QF 0.83
25 CYSS H      25 CYSS HB2     3.84            #peak 242 #SUP 0.94 #QF 0.94
  7 TRP  H      25 CYSS HB2     4.96            #peak 243 #SUP 0.93 #QF 0.93
25 CYSS HB2    27 LYS  H       5.16            #peak 244 #SUP 0.99 #QF 0.85
24 TRP  HD1    25 CYSS HB2     4.51            #peak 247 #SUP 0.93 #QF 0.93
  5 TRP  H       5 TRP  HB3     3.87            #peak 250 #SUP 0.92 #QF 0.86
  5 TRP  HD1    25 CYSS HB2     4.22            #peak 250 #SUP 0.92 #QF 0.86
  3 GLN  HG2     6 NLE  H       5.50            #peak 256 #SUP 0.86 #QF 0.86
24 TRP  HB2    25 CYSS H       4.34            #peak 257 #SUP 0.99 #QF 0.99
24 TRP  H      24 TRP  HB2     3.87            #peak 258 #SUP 0.96 #QF 0.96
  3 GLN  HG2     9 CYSS H       4.20            #peak 259 #SUP 0.89 #QF 0.89
24 TRP  HB2    24 TRP  HD1     3.60            #peak 262 #SUP 0.95 #QF 0.95
  3 GLN  HG2     7 TRP  H       4.43            #peak 263 #SUP 0.96 #QF 0.96
  3 GLN  H       3 GLN  HG2     4.18            #peak 264 #SUP 0.69 #QF 0.28
  3 GLN  HG2    15 CYSS H       4.38            #peak 264 #SUP 0.69 #QF 0.28
  3 GLN  HG2    10 ASP  H       4.94            #peak 265 #SUP 0.99 #QF 0.99
  3 GLN  HG2     5 TRP  H       4.44            #peak 266 #SUP 0.68 #QF 0.68
  3 GLN  HG2     7 TRP  HD1     3.73            #peak 267 #SUP 0.97 #QF 0.97
10 ASP  H      12 LYS  H       4.00            #peak 270 #SUP 0.96 #QF 0.96
16 CYSS H      17 GLU  H       4.69            #peak 271 #SUP 0.99 #QF 0.99
17 GLU  H      18 GLY  H       4.30            #peak 272 #SUP 0.97 #QF 0.97
  9 CYSS H      25 CYSS H       4.39            #peak 274 #SUP 0.96 #QF 0.96
  9 CYSS H      10 ASP  H       4.89            #peak 275 #SUP 0.99 #QF 0.99
  5 TRP  HD1     7 TRP  H       5.38            #peak 281 #SUP 0.91 #QF 0.91
  5 TRP  HD1     6 NLE  H       3.70            #peak 282 #SUP 0.97 #QF 0.45
  5 TRP  HD1    27 LYS  H       4.05            #peak 283 #SUP 0.95 #QF 0.95
  3 GLN  H       5 TRP  H       5.31            #peak 284 #SUP 0.92 #QF 0.92
19 LEU  H      20 ARG  H       4.67            #peak 285 #SUP 0.99 #QF 0.99
18 GLY  H      19 LEU  H       3.58            #peak 286 #SUP 0.73 #QF 0.73
  7 TRP  H       7 TRP  HD1     3.74            #peak 290 #SUP 0.96 #QF 0.96
  7 TRP  HD1     8 THR  H       4.20            #peak 292 #SUP 0.94 #QF 0.94
  7 TRP  HD1    15 CYSS H       5.50            #peak 293 #SUP 0.61 #QF 0.61
  7 TRP  HD1    10 ASP  H       5.23            #peak 294 #SUP 0.75 #QF 0.75
  6 NLE  H      24 TRP  HD1     4.20            #peak 295 #SUP 1.00
24 TRP  HD1    25 CYSS H       4.56            #peak 296 #SUP 0.99 #QF 0.99
  7 TRP  H      24 TRP  HD1     5.24            #peak 297 #SUP 0.99 #QF 0.99
  8 THR  H      24 TRP  HD1     4.57            #peak 298 #SUP 0.84 #QF 0.84
21 CYSS H      22 LYS  H       4.62            #peak 299 #SUP 1.00
20 ARG  H      28 GLU  H       5.16            #peak 300 #SUP 0.97 #QF 0.97
  7 TRP  H       8 THR  H       4.15            #peak 301 #SUP 0.98 #QF 0.27
23 LEU  H      24 TRP  H       4.39            #peak 301 #SUP 0.98 #QF 0.27
  8 THR  H      25 CYSS H       4.93            #peak 302 #SUP 0.99 #QF 0.69
24 TRP  H      25 CYSS H       5.44            #peak 302 #SUP 0.99 #QF 0.69
22 LYS  H      23 LEU  H       4.44            #peak 304 #SUP 0.99 #QF 0.99
10 ASP  H      14 ALA  H       4.67            #peak 305 #SUP 0.99 #QF 0.87
27 LYS  H      28 GLU  H       4.55            #peak 306 #SUP 1.00
11 SER  H      12 LYS  H       3.33            #peak 307 #SUP 0.92 #QF 0.66
12 LYS  H      13 ARG  H       3.62            #peak 307 #SUP 0.92 #QF 0.66
  5 TRP  HD1    24 TRP  HD1     5.50            #peak 316 #SUP 0.88 #QF 0.88
  3 GLN  H      16 CYSS H       3.96            #peak 324 #SUP 0.83 #QF 0.72
  6 NLE  H      25 CYSS H       4.70            #peak 325 #SUP 0.92 #QF 0.92
  6 NLE  H       7 TRP  H       4.07            #peak 326 #SUP 0.98 #QF 0.98
20 ARG  H      26 ARG  H       4.46            #peak 327 #SUP 0.96 #QF 0.96
25 CYSS H      26 ARG  H       4.72            #peak 328 #SUP 0.99 #QF 0.99
26 ARG  H      27 LYS  H       4.91            #peak 329 #SUP 0.99 #QF 0.99
  7 TRP  H       7 TRP  HE1     5.50            #peak 331 #SUP 0.99 #QF 0.99
15 CYSS HB2    20 ARG  H       5.11            #peak 345 #SUP 1.00
15 CYSS HB2    19 LEU  H       4.41            #peak 346 #SUP 0.98 #QF 0.98
15 CYSS HB2    21 CYSS H       3.91            #peak 347 #SUP 0.67 #QF 0.67
15 CYSS H      15 CYSS HB2     3.86            #peak 348 #SUP 0.94 #QF 0.94
21 CYSS H      21 CYSS HB3     3.58            #peak 349 #SUP 0.82 #QF 0.82
21 CYSS HB3    22 LYS  H       3.71            #peak 350 #SUP 0.84 #QF 0.84
  3 GLN  HG3    16 CYSS H       4.77            #peak 353 #SUP 0.97 #QF 0.97
  3 GLN  HG3    15 CYSS H       3.84            #peak 354 #SUP 0.64 #QF 0.64
  3 GLN  HG3     7 TRP  H       4.89            #peak 355 #SUP 0.98 #QF 0.98
  3 GLN  HG3     5 TRP  H       4.58            #peak 356 #SUP 0.62 #QF 0.62
  3 GLN  HG3     7 TRP  HD1     3.95            #peak 358 #SUP 0.98 #QF 0.98
23 LEU  HB2    24 TRP  H       3.48            #peak 363 #SUP 0.84 #QF 0.84
  3 GLN  HB3     7 TRP  HD1     4.57            #peak 370 #SUP 0.96 #QF 0.96
  3 GLN  HB3    16 CYSS H       4.32            #peak 371 #SUP 0.93 #QF 0.93
  3 GLN  H       3 GLN  HB3     3.63            #peak 372 #SUP 0.93 #QF 0.93
  3 GLN  HB3     7 TRP  H       5.44            #peak 373 #SUP 0.94 #QF 0.94
  3 GLN  HB3     5 TRP  H       4.14            #peak 374 #SUP 0.64 #QF 0.64
19 LEU  HB3    20 ARG  H       3.94            #peak 376 #SUP 0.67 #QF 0.67
19 LEU  H      19 LEU  HB3     3.97            #peak 377 #SUP 0.75 #QF 0.75
  3 GLN  HB2    16 CYSS H       4.07            #peak 378 #SUP 0.91 #QF 0.91
  3 GLN  H       3 GLN  HB2     3.53            #peak 380 #SUP 0.98 #QF 0.95
  3 GLN  HB2     7 TRP  HD1     4.78            #peak 383 #SUP 0.95 #QF 0.95
  3 GLN  HB2     5 TRP  H       4.23            #peak 385 #SUP 0.69 #QF 0.69
26 ARG  HB3    27 LYS  H       4.66            #peak 387 #SUP 0.91 #QF 0.91
26 ARG  HB3    28 GLU  H       5.50            #peak 388 #SUP 0.94 #QF 0.94
24 TRP  HD1    26 ARG  HB3     5.50            #peak 389 #SUP 0.80 #QF 0.80
28 GLU  H      28 GLU  HB3     4.19            #peak 392 #SUP 0.87 #QF 0.87
13 ARG  H      13 ARG  HB3     3.64            #peak 397 #SUP 0.76 #QF 0.76
28 GLU  H      28 GLU  HB2     4.19            #peak 399 #SUP 0.91 #QF 0.91
29 ILE  H      29 ILE  HB      4.06            #peak 400 #SUP 0.78 #QF 0.24
12 LYS  HB2    13 ARG  H       3.28            #peak 401 #SUP 0.60 #QF 0.60
12 LYS  H      12 LYS  HB2     3.15            #peak 403 #SUP 0.91 #QF 0.91
10 ASP  H      12 LYS  HB2     3.69            #peak 405 #SUP 0.81 #QF 0.81
  6 NLE  HB2     7 TRP  H       4.57            #peak 406 #SUP 0.80 #QF 0.80
26 ARG  HB2    27 LYS  H       4.95            #peak 415 #SUP 0.99 #QF 0.99
27 LYS  H      27 LYS  HB2     3.89            #peak 422 #SUP 0.99 #QF 0.99
  5 TRP  HD1    27 LYS  HB2     4.19            #peak 425 #SUP 0.95 #QF 0.95
12 LYS  HB3    13 ARG  H       3.69            #peak 427 #SUP 0.83 #QF 0.83
12 LYS  H      12 LYS  HB3     3.63            #peak 431 #SUP 0.85 #QF 0.85
23 LEU  H      23 LEU  HB3     4.14            #peak 432 #SUP 0.83 #QF 0.83
23 LEU  HB3    24 TRP  H       3.91            #peak 433 #SUP 0.82 #QF 0.82
20 ARG  H      20 ARG  HG3     5.01            #peak 439 #SUP 0.97 #QF 0.97
27 LYS  H      27 LYS  HB3     3.93            #peak 444 #SUP 0.91 #QF 0.91
27 LYS  HB3    28 GLU  H       4.46            #peak 445 #SUP 0.95 #QF 0.95
23 LEU  H      23 LEU  HG      3.49            #peak 448 #SUP 0.66 #QF 0.66
10 ASP  H      13 ARG  HG3     4.23            #peak 449 #SUP 0.74 #QF 0.74
23 LEU  HG     24 TRP  H       4.19            #peak 450 #SUP 0.84 #QF 0.84
13 ARG  H      13 ARG  HG3     4.47            #peak 455 #SUP 0.97 #QF 0.92
13 ARG  HG3    14 ALA  H       4.61            #peak 455 #SUP 0.97 #QF 0.92
22 LYS  H      23 LEU  HG      4.30            #peak 456 #SUP 0.38 #QF 0.38
  7 TRP  HD1    13 ARG  HG3     4.26            #peak 458 #SUP 0.97 #QF 0.97
13 ARG  HG3    16 CYSS H       5.38            #peak 459 #SUP 0.97 #QF 0.84
  3 GLN  H      13 ARG  HG3     3.64            #peak 460 #SUP 0.79 #QF 0.21
13 ARG  HG3    15 CYSS H       3.84            #peak 460 #SUP 0.79 #QF 0.21
20 ARG  H      20 ARG  HG2     5.01            #peak 463 #SUP 0.89 #QF 0.89
  6 NLE  HB3     7 TRP  H       5.04            #peak 464 #SUP 0.99 #QF 0.99
  6 NLE  H       6 NLE  HB3     4.26            #peak 465 #SUP 0.97 #QF 0.97
  6 NLE  HB3    24 TRP  HD1     3.94            #peak 466 #SUP 0.97 #QF 0.97
13 ARG  H      13 ARG  HG2     4.35            #peak 467 #SUP 0.98 #QF 0.96
13 ARG  HG2    14 ALA  H       4.75            #peak 467 #SUP 0.98 #QF 0.96
18 GLY  H      19 LEU  HG      4.82            #peak 475 #SUP 0.69 #QF 0.69
  5 TRP  HD1    19 LEU  HG      4.72            #peak 477 #SUP 0.95 #QF 0.95
19 LEU  HG     20 ARG  H       4.88            #peak 478 #SUP 0.89 #QF 0.89
19 LEU  H      19 LEU  HG      3.52            #peak 480 #SUP 0.90 #QF 0.90
19 LEU  HB2    21 CYSS H       4.89            #peak 484 #SUP 0.75 #QF 0.75
15 CYSS H      19 LEU  HB2     5.50            #peak 485 #SUP 0.53 #QF 0.53
  5 TRP  HD1    19 LEU  HB2     5.20            #peak 487 #SUP 0.88 #QF 0.88
19 LEU  H      19 LEU  HB2     3.82            #peak 488 #SUP 0.89 #QF 0.89
19 LEU  HB2    20 ARG  H       3.80            #peak 489 #SUP 0.85 #QF 0.85
19 LEU  HB2    25 CYSS H       5.36            #peak 490 #SUP 0.87 #QF 0.87
23 LEU  H      23 LEU  QD2     4.05            #peak 503 #SUP 0.97 #QF 0.97
23 LEU  QD2    24 TRP  H       4.72            #peak 504 #SUP 0.87 #QF 0.87
19 LEU  QD1    20 ARG  H       4.74            #peak 510 #SUP 0.93 #QF 0.93
16 CYSS H      19 LEU  QD1     3.86            #peak 511 #SUP 0.74 #QF 0.74
  6 NLE  H      19 LEU  QD1     4.42            #peak 512 #SUP 0.90 #QF 0.90
  3 GLN  H      19 LEU  QD1     4.65            #peak 513 #SUP 0.77 #QF 0.34
15 CYSS H      19 LEU  QD1     4.88            #peak 513 #SUP 0.77 #QF 0.34
19 LEU  QD1    25 CYSS H       4.96            #peak 514 #SUP 0.93 #QF 0.93
  7 TRP  H      19 LEU  QD1     5.50            #peak 515 #SUP 0.90 #QF 0.81
18 GLY  H      19 LEU  QD1     5.50            #peak 515 #SUP 0.90 #QF 0.81
  5 TRP  H      19 LEU  QD1     4.27            #peak 518 #SUP 0.96 #QF 0.65
19 LEU  H      19 LEU  QD1     4.03            #peak 520 #SUP 0.93 #QF 0.93
19 LEU  QD2    24 TRP  HD1     5.49            #peak 522 #SUP 0.99 #QF 0.99
19 LEU  QD2    20 ARG  H       4.49            #peak 523 #SUP 1.00
  6 NLE  H      19 LEU  QD2     4.40            #peak 525 #SUP 1.00
  7 TRP  H      19 LEU  QD2     5.12            #peak 526 #SUP 0.97 #QF 0.97
19 LEU  QD2    27 LYS  H       4.44            #peak 527 #SUP 1.00
19 LEU  QD2    28 GLU  H       4.54            #peak 528 #SUP 1.00
  5 TRP  HD1    19 LEU  QD2     3.56            #peak 529 #SUP 0.99 #QF 0.51
19 LEU  H      19 LEU  QD2     4.32            #peak 531 #SUP 1.00
  5 TRP  HD1     6 NLE  HG2     4.36            #peak 542 #SUP 0.75 #QF 0.75
  6 NLE  H       6 NLE  HG2     5.23            #peak 545 #SUP 0.93 #QF 0.93
  6 NLE  HG2    24 TRP  HD1     4.45            #peak 547 #SUP 0.92 #QF 0.92
  5 TRP  HD1     6 NLE  HD2     5.37            #peak 548 #SUP 0.92 #QF 0.92
  6 NLE  HD2    24 TRP  HD1     4.83            #peak 553 #SUP 0.93 #QF 0.93
  5 TRP  HD1     6 NLE  QE      4.74            #peak 559 #SUP 0.97 #QF 0.97
  6 NLE  HA     24 TRP  HE1     4.55            #peak 567 #SUP 0.96 #QF 0.96
25 CYSS HB3    26 ARG  H       4.32            #peak 568 #SUP 0.98 #QF 0.98
26 ARG  H      26 ARG  HD3     4.90            #peak 571 #SUP 0.97 #QF 0.97
24 TRP  HE1    25 CYSS HB2     5.50            #peak 572 #SUP 0.94 #QF 0.94
25 CYSS HB2    26 ARG  H       4.35            #peak 573 #SUP 0.99 #QF 0.93
26 ARG  H      26 ARG  HD2     4.90            #peak 573 #SUP 0.99 #QF 0.93
24 TRP  HB2    24 TRP  HE1     5.01            #peak 574 #SUP 0.99 #QF 0.99
26 ARG  H      26 ARG  HB3     3.87            #peak 575 #SUP 0.95 #QF 0.95
24 TRP  HE1    26 ARG  HB3     5.40            #peak 576 #SUP 0.80 #QF 0.80
26 ARG  H      26 ARG  HB2     3.94            #peak 577 #SUP 0.99 #QF 0.99
26 ARG  H      27 LYS  HB2     4.80            #peak 578 #SUP 0.55 #QF 0.55
  7 TRP  HE1    13 ARG  HG3     4.51            #peak 582 #SUP 0.81 #QF 0.81
19 LEU  HB2    26 ARG  H       4.67            #peak 585 #SUP 0.87 #QF 0.87
19 LEU  QD1    26 ARG  H       5.13            #peak 586 #SUP 0.91 #QF 0.91
19 LEU  QD2    26 ARG  H       5.00            #peak 587 #SUP 1.00
  6 NLE  HG2    24 TRP  HE1     5.25            #peak 588 #SUP 0.94 #QF 0.94
  6 NLE  HD2    24 TRP  HE1     4.72            #peak 589 #SUP 0.92 #QF 0.92
  6 NLE  QE     24 TRP  HE1     4.94            #peak 590 #SUP 0.89 #QF 0.89
24 TRP  HE1    26 ARG  HA      5.01            #peak 592 #SUP 0.92 #QF 0.92
25 CYSS HA     26 ARG  H       3.09            #peak 595 #SUP 0.87 #QF 0.87
  5 TRP  HE1    26 ARG  HA      3.91            #peak 602 #SUP 0.95 #QF 0.95
  5 TRP  HE1    27 LYS  HA      5.32            #peak 603 #SUP 0.98 #QF 0.98
  5 TRP  HE1     6 NLE  HA      5.50            #peak 605 #SUP 0.92 #QF 0.92
  5 TRP  HE1    26 ARG  HB3     5.37            #peak 607 #SUP 0.94 #QF 0.94
  5 TRP  HE1    26 ARG  HB2     5.12            #peak 608 #SUP 0.99 #QF 0.96
  5 TRP  HE1    27 LYS  HB2     5.07            #peak 609 #SUP 0.96 #QF 0.96
  5 TRP  HE1    27 LYS  HB3     4.49            #peak 610 #SUP 0.92 #QF 0.92
  5 TRP  HE1    19 LEU  QD2     4.72            #peak 612 #SUP 1.00
  5 TRP  HE1     6 NLE  HD2     4.60            #peak 614 #SUP 0.92 #QF 0.92
  5 TRP  HE1     6 NLE  QE      4.24            #peak 615 #SUP 0.93 #QF 0.93
  5 TRP  HE1     6 NLE  H       4.85            #peak 616 #SUP 0.99 #QF 0.99
  5 TRP  HE1    27 LYS  H       4.31            #peak 617 #SUP 0.98 #QF 0.98
26 ARG  HB3    26 ARG  HE      5.15            #peak 623 #SUP 0.87 #QF 0.87
26 ARG  HB2    26 ARG  HE      4.97            #peak 624 #SUP 0.87 #QF 0.87
  6 NLE  HA     24 TRP  HA      4.35            #peak 629 #SUP 0.58 #QF 0.58
  6 NLE  HA     26 ARG  HA      5.08            #peak 630 #SUP 0.98 #QF 0.64
19 LEU  HA     25 CYSS HB3     5.50            #peak 630 #SUP 0.98 #QF 0.64
25 CYSS HB3    26 ARG  HA      5.50            #peak 630 #SUP 0.98 #QF 0.64
  9 CYSS HB2    24 TRP  HA      5.50            #peak 632 #SUP 0.96 #QF 0.96
  9 CYSS HA      9 CYSS HB2     2.74            #peak 633 #SUP 0.96 #QF 0.96
  9 CYSS HA     10 ASP  HB2     4.10            #peak 634 #SUP 0.34 #QF 0.34
  9 CYSS HA     12 LYS  HE3     4.54            #peak 638 #SUP 0.89 #QF 0.89
25 CYSS HB2    26 ARG  HA      5.10            #peak 640 #SUP 0.96 #QF 0.90
  3 GLN  HG2     9 CYSS HA      3.58            #peak 643 #SUP 0.98 #QF 0.98
  3 GLN  HG2    15 CYSS HA      4.34            #peak 644 #SUP 0.79 #QF 0.79
15 CYSS HB2    19 LEU  HA      4.96            #peak 645 #SUP 0.97 #QF 0.97
  3 GLN  HG3     9 CYSS HA      3.89            #peak 648 #SUP 0.96 #QF 0.96
  3 GLN  HG3    15 CYSS HA      3.74            #peak 649 #SUP 0.93 #QF 0.93
  3 GLN  HB3    15 CYSS HA      3.49            #peak 652 #SUP 0.90 #QF 0.90
  3 GLN  HB2    15 CYSS HA      3.55            #peak 653 #SUP 0.81 #QF 0.81
  3 GLN  HB2     9 CYSS HA      4.90            #peak 654 #SUP 0.97 #QF 0.97
  9 CYSS HA     12 LYS  HB2     4.59            #peak 656 #SUP 0.87 #QF 0.87
  9 CYSS HA     13 ARG  HG3     3.87            #peak 661 #SUP 0.83 #QF 0.83
13 ARG  HG3    15 CYSS HA      4.28            #peak 662 #SUP 0.55 #QF 0.55
  5 TRP  HA     19 LEU  HG      4.69            #peak 664 #SUP 0.42 #QF 0.42
  9 CYSS HA     13 ARG  HG2     4.13            #peak 665 #SUP 0.46 #QF 0.46
19 LEU  HA     19 LEU  HG      3.71            #peak 666 #SUP 0.88 #QF 0.88
  9 CYSS HA     19 LEU  QD1     5.43            #peak 669 #SUP 0.85 #QF 0.85
19 LEU  HA     19 LEU  QD1     4.18            #peak 670 #SUP 0.92 #QF 0.92
15 CYSS HA     19 LEU  QD1     4.65            #peak 671 #SUP 0.98 #QF 0.75
19 LEU  HA     19 LEU  QD2     3.98            #peak 672 #SUP 1.00 #QF 0.99
19 LEU  QD2    26 ARG  HA      4.30            #peak 672 #SUP 1.00 #QF 0.99
24 TRP  HA     25 CYSS HA      4.72            #peak 676 #SUP 0.96 #QF 0.96
25 CYSS HA     26 ARG  HA      4.53            #peak 677 #SUP 0.96 #QF 0.96
19 LEU  HA     20 ARG  HA      4.57            #peak 679 #SUP 0.88 #QF 0.88
  8 THR  HA     24 TRP  HA      3.13            #peak 681 #SUP 0.70 #QF 0.70
  8 THR  HB      9 CYSS HA      4.94            #peak 685 #SUP 0.89 #QF 0.89
  7 TRP  HA      8 THR  HB      4.76            #peak 686 #SUP 0.84 #QF 0.84
19 LEU  HA     27 LYS  HA      3.63            #peak 687 #SUP 0.93 #QF 0.93
18 GLY  HA3    19 LEU  HA      4.57            #peak 688 #SUP 0.95 #QF 0.95
10 ASP  HB3    11 SER  HA      4.49            #peak 693 #SUP 0.36 #QF 0.36
23 LEU  HA     23 LEU  HG      3.66            #peak 712 #SUP 0.95 #QF 0.95
19 LEU  HG     27 LYS  HA      4.00            #peak 714 #SUP 0.99 #QF 0.99
23 LEU  HA     23 LEU  QD2     3.20            #peak 721 #SUP 0.80 #QF 0.80
29 ILE  HA     29 ILE  QD1     3.94            #peak 722 #SUP 0.36 #QF 0.36
18 GLY  HA3    19 LEU  QD1     4.27            #peak 723 #SUP 0.83 #QF 0.83
19 LEU  QD2    27 LYS  HA      4.24            #peak 725 #SUP 0.99 #QF 0.99
18 GLY  HA3    19 LEU  QD2     4.46            #peak 726 #SUP 0.98 #QF 0.98
23 LEU  HB2    23 LEU  QD2     3.44            #peak 734 #SUP 0.72 #QF 0.72
19 LEU  QD1    25 CYSS HB3     3.90            #peak 736 #SUP 0.91 #QF 0.91
  9 CYSS HB2    19 LEU  QD1     4.51            #peak 737 #SUP 0.63 #QF 0.63
15 CYSS HB3    19 LEU  QD1     3.42            #peak 739 #SUP 0.92 #QF 0.92
19 LEU  QD1    25 CYSS HB2     3.50            #peak 741 #SUP 0.92 #QF 0.92
15 CYSS HB2    19 LEU  QD1     4.17            #peak 742 #SUP 0.91 #QF 0.91
  3 GLN  HB2    19 LEU  QD1     3.84            #peak 744 #SUP 0.95 #QF 0.72
19 LEU  QD2    25 CYSS HB3     4.04            #peak 746 #SUP 0.96 #QF 0.96
  5 TRP  HB2    19 LEU  QD2     3.61            #peak 747 #SUP 0.32 #QF 0.32
15 CYSS HB2    19 LEU  QD2     5.50            #peak 749 #SUP 0.97 #QF 0.97
19 LEU  QD2    21 CYSS HB3     5.50            #peak 750 #SUP 0.59 #QF 0.59
19 LEU  HB3    19 LEU  QD2     3.73            #peak 751 #SUP 0.88 #QF 0.88
19 LEU  QD2    25 CYSS HB2     3.70            #peak 752 #SUP 0.98 #QF 0.98
  6 NLE  HG2    25 CYSS HB2     4.38            #peak 756 #SUP 0.54 #QF 0.54
  6 NLE  HA      6 NLE  HG2     4.28            #peak 757 #SUP 0.93 #QF 0.93
  6 NLE  HA      6 NLE  HD2     5.00            #peak 758 #SUP 0.93 #QF 0.93
  6 NLE  HA      6 NLE  QE      3.97            #peak 759 #SUP 0.85 #QF 0.85
  9 CYSS HB2    15 CYSS HB2     4.71            #peak 763 #SUP 0.92 #QF 0.92
21 CYSS HB3    25 CYSS HB2     4.34            #peak 766 #SUP 0.22 #QF 0.22
15 CYSS HB3    21 CYSS HB3     4.88            #peak 770 #SUP 0.27 #QF 0.27
  3 GLN  HG3    15 CYSS HB3     4.59            #peak 773 #SUP 0.63 #QF 0.63
  3 GLN  HG3     9 CYSS HB2     3.64            #peak 775 #SUP 0.92 #QF 0.92
  3 GLN  HG3    25 CYSS HB2     4.89            #peak 777 #SUP 0.62 #QF 0.62
23 LEU  HB2    24 TRP  HB3     3.64            #peak 778 #SUP 0.58 #QF 0.58
  3 GLN  HB3     7 TRP  HB3     5.16            #peak 781 #SUP 0.89 #QF 0.89
  3 GLN  HB3    25 CYSS HB2     5.36            #peak 783 #SUP 0.98 #QF 0.70
15 CYSS HB3    19 LEU  HB3     3.72            #peak 785 #SUP 0.64 #QF 0.64
19 LEU  HB3    25 CYSS HB3     3.72            #peak 786 #SUP 0.37 #QF 0.37
  3 GLN  HB2     9 CYSS HB2     4.12            #peak 787 #SUP 0.94 #QF 0.94
19 LEU  HB3    25 CYSS HB2     4.31            #peak 788 #SUP 0.99 #QF 0.39
12 LYS  HB2    12 LYS  HE2     2.90            #peak 793 #SUP 0.50 #QF 0.50
  3 GLN  HG2    12 LYS  HB2     5.50            #peak 795 #SUP 0.72 #QF 0.72
12 LYS  HB3    12 LYS  HE3     3.84            #peak 803 #SUP 0.77 #QF 0.77
23 LEU  HB3    24 TRP  HB2     5.04            #peak 804 #SUP 0.86 #QF 0.86
  3 GLN  HG2    13 ARG  HG3     3.65            #peak 808 #SUP 0.60 #QF 0.60
  9 CYSS HB2    13 ARG  HG3     3.80            #peak 811 #SUP 0.94 #QF 0.94
12 LYS  HE3    13 ARG  HG2     4.23            #peak 815 #SUP 0.52 #QF 0.52
  3 GLN  HG2    13 ARG  HG2     4.63            #peak 816 #SUP 0.65 #QF 0.65
  9 CYSS HB2    13 ARG  HG2     4.41            #peak 817 #SUP 0.66 #QF 0.66
15 CYSS HB3    19 LEU  HG      3.86            #peak 818 #SUP 0.84 #QF 0.84
19 LEU  HG     25 CYSS HB2     4.53            #peak 821 #SUP 0.50 #QF 0.50
19 LEU  HB2    25 CYSS HB3     4.07            #peak 822 #SUP 0.85 #QF 0.85
15 CYSS HB3    19 LEU  HB2     3.57            #peak 823 #SUP 0.80 #QF 0.80
19 LEU  HB2    25 CYSS HB2     3.52            #peak 825 #SUP 0.86 #QF 0.86
15 CYSS HB3    25 CYSS HB3     4.12            #peak 828 #SUP 0.88 #QF 0.88
  9 CYSS HB2    15 CYSS HB3     4.74            #peak 829 #SUP 0.54 #QF 0.54
  9 CYSS HB2    12 LYS  HE3     5.50            #peak 831 #SUP 0.97 #QF 0.97
  3 GLN  HG2     7 TRP  HB3     4.21            #peak 835 #SUP 0.57 #QF 0.57
15 CYSS HB2    19 LEU  HG      5.43            #peak 844 #SUP 0.81 #QF 0.81
15 CYSS HB2    19 LEU  HB2     3.84            #peak 845 #SUP 0.86 #QF 0.86
  3 GLN  HB3    13 ARG  HG3     4.42            #peak 851 #SUP 0.72 #QF 0.72
  3 GLN  HG3    13 ARG  HG3     3.68            #peak 852 #SUP 0.97 #QF 0.50
12 LYS  HB3    13 ARG  HB3     4.52            #peak 861 #SUP 0.56 #QF 0.56
  6 NLE  HB2     6 NLE  QE      3.28            #peak 867 #SUP 0.45 #QF 0.45
  6 NLE  HB3     6 NLE  QE      3.28            #peak 868 #SUP 0.54 #QF 0.54
23 LEU  HB3    23 LEU  QD2     2.87            #peak 875 #SUP 0.71 #QF 0.71
19 LEU  HB2    19 LEU  QD1     3.92            #peak 877 #SUP 0.88 #QF 0.88
19 LEU  QD2    27 LYS  HB2     3.78            #peak 878 #SUP 0.99 #QF 0.99
19 LEU  HB2    19 LEU  QD2     3.52            #peak 880 #SUP 0.97 #QF 0.97
19 LEU  QD2    27 LYS  HB3     3.45            #peak 881 #SUP 0.43 #QF 0.43
  6 NLE  HD2    19 LEU  QD2     5.50            #peak 889 #SUP 0.90 #QF 0.90
  6 NLE  HG2     6 NLE  QE      3.78            #peak 892 #SUP 0.61 #QF 0.61
  6 NLE  HG2    19 LEU  QD2     3.57            #peak 897 #SUP 0.28 #QF 0.28
  5 TRP  HB2    27 LYS  QE      3.90            #peak 780
  5 TRP  HB3    27 LYS  QE      5.34            #peak 783
  5 TRP  HD1    27 LYS  QD      4.87            #peak 413
  5 TRP  HE1    26 ARG  QD      5.34            #peak 606
  5 TRP  HE1    27 LYS  QD      5.27            #peak 608
  7 TRP  HD1    13 ARG  QD      3.85            #peak 226
10 ASP  HB3    11 SER  QB      4.69            #peak 694
11 SER  H      11 SER  QB      3.37            #peak 104
11 SER  QB     12 LYS  HB2     5.34            #peak 704
11 SER  QB     12 LYS  HE2     4.45            #peak 692
15 CYSS HB2    20 ARG  QG      4.64            #peak 843
16 CYSS H      16 CYSS QB      3.02            #peak 172
16 CYSS QB     17 GLU  H       3.44            #peak 254
19 LEU  HA     27 LYS  QG      4.35            #peak 668
19 LEU  HB2    26 ARG  QD      5.23            #peak 824
19 LEU  HB3    27 LYS  QG      4.47            #peak 733
19 LEU  QD2    26 ARG  QD      4.44            #peak 748
19 LEU  QD2    27 LYS  QG      3.73            #peak 899
20 ARG  H      20 ARG  QB      3.40            #peak 419
20 ARG  H      20 ARG  QG      4.32            #peak 463
20 ARG  QB     21 CYSS H       4.37            #peak 420
20 ARG  QG     21 CYSS H       4.26            #peak 443
25 CYSS HB3    26 ARG  QD      4.10            #peak 830
26 ARG  H      26 ARG  QG      3.85            #peak 580
26 ARG  H      26 ARG  QD      4.19            #peak 573
26 ARG  HA     26 ARG  QD      4.10            #peak 639
26 ARG  HB2    26 ARG  QD      3.65            #peak 796
26 ARG  HB3    26 ARG  QD      3.65            #peak 790
26 ARG  QD     27 LYS  H       4.57            #peak 221
26 ARG  QD     28 GLU  H       2.76            #peak 217
27 LYS  H      27 LYS  QG      4.58            #peak 500
27 LYS  H      27 LYS  QD      5.34            #peak 415
27 LYS  QG     28 GLU  H       4.70            #peak 499
28 GLU  H      28 GLU  QB      3.39            #peak 399
28 GLU  H      28 GLU  QG      4.72            #peak 367
28 GLU  QB     29 ILE  H       4.39            #peak 393
  2 CYSS SG     16 CYSS SG      2.10
  2 CYSS SG     16 CYSS CB      3.10
  2 CYSS CB     16 CYSS SG      3.10
  9 CYSS SG     21 CYSS SG      2.10
  9 CYSS SG     21 CYSS CB      3.10
  9 CYSS CB     21 CYSS SG      3.10
15 CYSS SG     25 CYSS SG      2.10
15 CYSS SG     25 CYSS CB      3.10
15 CYSS CB     25 CYSS SG      3.10
  8 THR  H      24 TRP  HA      5.50            #peak 13 #SUP 0.96 #QF 0.23
  5 TRP  HA      5 TRP  HD1     5.50            #peak 23 #SUP 0.96 #QF 0.89
19 LEU  H      20 ARG  HA      5.50            #peak 28 #SUP 0.26 #QF 0.26
  5 TRP  H       6 NLE  H       5.50            #peak 149 #SUP 0.53 #QF 0.53
  8 THR  H      25 CYSS H       5.50            #peak 155 #SUP 0.98 #QF 0.49
24 TRP  H      25 CYSS H       5.50            #peak 155 #SUP 0.98 #QF 0.49
  7 TRP  H       8 THR  H       5.50            #peak 156 #SUP 1.00
23 LEU  H      24 TRP  H       5.50            #peak 156 #SUP 1.00
10 ASP  H      11 SER  H       5.50            #peak 157 #SUP 0.87 #QF 0.87
11 SER  H      12 LYS  H       5.50            #peak 158 #SUP 1.00 #QF 0.85
12 LYS  H      13 ARG  H       5.50            #peak 158 #SUP 1.00 #QF 0.85
  3 GLN  H      16 CYSS H       5.50            #peak 173 #SUP 0.53 #QF 0.24
15 CYSS H      16 CYSS H       5.50            #peak 173 #SUP 0.53 #QF 0.24
  5 TRP  HD1    19 LEU  QD1     5.50            #peak 260 #SUP 0.86 #QF 0.48
  5 TRP  HD1    19 LEU  QD2     5.50            #peak 263 #SUP 0.72 #QF 0.43
  9 CYSS HA     10 ASP  HA      5.50            #peak 319 #SUP 0.28 #QF 0.28
  5 TRP  H      19 LEU  QQD     5.44            #peak 263
  5 TRP  HA     19 LEU  QQD     5.44            #peak 313
  5 TRP  QB     27 LYS  QB      5.18            #peak 371
  5 TRP  QB     27 LYS  HE2     5.34            #peak 363
  6 NLE  QB      8 THR  H       5.34            #peak 206
  9 CYSS H      10 ASP  QB      5.34            #peak 101
12 LYS  QB     12 LYS  QE      5.18            #peak 370
19 LEU  H      20 ARG  QB      5.34            #peak 212
19 LEU  H      28 GLU  QB      5.34            #peak 196
19 LEU  HA     20 ARG  QB      5.34            #peak 311
19 LEU  HA     28 GLU  QG      5.34            #peak 310
19 LEU  QQD    26 ARG  QD      5.28            #peak 349
20 ARG  H      28 GLU  QG      5.34            #peak 188
25 CYSS QB     26 ARG  HA      5.34            #peak 308
25 CYSS QB     27 LYS  H       5.34            #peak 132
26 ARG  H      26 ARG  QD      5.34            #peak 291
26 ARG  HA     26 ARG  QD      5.34            #peak 308
  8 THR  H      24 TRP  HA      5.50            #peak 11 #SUP 0.98 #QF 0.62
  5 TRP  HA      5 TRP  HD1     5.50            #peak 21 #SUP 0.96 #QF 0.89
  8 THR  H      25 CYSS H       5.50            #peak 108 #SUP 0.98 #QF 0.52
24 TRP  H      25 CYSS H       5.50            #peak 108 #SUP 0.98 #QF 0.52
  7 TRP  H       8 THR  H       5.50            #peak 109 #SUP 1.00
23 LEU  H      24 TRP  H       5.50            #peak 109 #SUP 1.00
11 SER  H      12 LYS  H       5.50            #peak 110 #SUP 1.00 #QF 0.85
12 LYS  H      13 ARG  H       5.50            #peak 110 #SUP 1.00 #QF 0.85
  3 GLN  H      16 CYSS H       5.50            #peak 125 #SUP 0.60 #QF 0.35
15 CYSS H      16 CYSS H       5.50            #peak 125 #SUP 0.60 #QF 0.35
  9 CYSS H      19 LEU  HG      5.50            #peak 180 #SUP 0.21 #QF 0.21
  8 THR  HB     24 TRP  HA      5.50            #peak 245 #SUP 0.28 #QF 0.28
  5 TRP  H      19 LEU  QQD     5.44            #peak 199
  5 TRP  HA     19 LEU  QQD     5.44            #peak 239
  5 TRP  HD1    19 LEU  QQD     5.44            #peak 196
12 LYS  QE     13 ARG  QG      4.76            #peak 276
15 CYSS QB     19 LEU  QB      5.18            #peak 282
19 LEU  H      25 CYSS QB      5.34            #peak 88
19 LEU  HA     25 CYSS QB      5.34            #peak 236
19 LEU  QB     25 CYSS QB      5.18            #peak 268
25 CYSS QB     26 ARG  HA      5.34            #peak 236
25 CYSS QB     27 LYS  H       5.34            #peak 87
26 ARG  H      26 ARG  QD      5.34            #peak 223
26 ARG  HA     26 ARG  QD      5.34            #peak 236
26 ARG  QD     27 LYS  H       5.34            #peak 87

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   TYR   1          1H        TYR   1  -0.268   4.260  -2.730
    2    H2   TYR   1          2H        TYR   1  -0.372   5.816  -3.092
    3    H3   TYR   1          3H        TYR   1   0.991   4.953  -3.435
    4    HA   TYR   1           HA       TYR   1   0.857   6.666  -1.573
    5    HB2  TYR   1          1HB       TYR   1  -0.147   4.067  -0.428
    6    HB3  TYR   1          2HB       TYR   1   0.694   5.251   0.567
    7    HD1  TYR   1           HD1      TYR   1  -2.144   5.079  -1.861
    8    HD2  TYR   1           HD2      TYR   1  -0.577   6.814   1.694
    9    HE1  TYR   1           HE1      TYR   1  -4.260   6.289  -1.526
   10    HE2  TYR   1           HE2      TYR   1  -2.688   8.028   2.039
   11    HH   TYR   1           HH       TYR   1  -5.315   7.450   1.123
   12    H    CYS   2           H        CYS   2   1.742   3.209  -1.564
   13    HA   CYS   2           HA       CYS   2   4.338   3.640  -0.520
   14    HB2  CYS   2          1HB       CYS   2   3.452   1.275  -2.176
   15    HB3  CYS   2          2HB       CYS   2   4.738   1.322  -0.974
   16    H    GLN   3           H        GLN   3   6.202   2.470  -1.956
   17    HA   GLN   3           HA       GLN   3   6.192   3.722  -4.613
   18    HB2  GLN   3          1HB       GLN   3   8.264   4.761  -4.312
   19    HB3  GLN   3          2HB       GLN   3   7.427   5.068  -2.797
   20    HG2  GLN   3          1HG       GLN   3   9.710   3.234  -3.359
   21    HG3  GLN   3          2HG       GLN   3   9.531   4.450  -2.096
   22   HE21  GLN   3          1HE2      GLN   3   7.275   3.864  -0.854
   23   HE22  GLN   3          2HE2      GLN   3   7.309   2.273  -0.182
   24    H    LYS   4           H        LYS   4   5.622   1.192  -4.600
   25    HA   LYS   4           HA       LYS   4   6.239  -0.763  -5.607
   26    HB2  LYS   4          1HB       LYS   4   8.041   0.945  -6.642
   27    HB3  LYS   4          2HB       LYS   4   9.126  -0.095  -5.730
   28    HG2  LYS   4          1HG       LYS   4   7.645  -1.959  -6.974
   29    HG3  LYS   4          2HG       LYS   4   7.560  -0.654  -8.159
   30    HD2  LYS   4          1HD       LYS   4   9.478  -1.683  -8.857
   31    HD3  LYS   4          2HD       LYS   4  10.162  -0.546  -7.694
   32    HE2  LYS   4          1HE       LYS   4   9.808  -2.479  -5.994
   33    HE3  LYS   4          2HE       LYS   4   9.724  -3.495  -7.433
   34    HZ1  LYS   4          1HZ       LYS   4  11.988  -1.752  -6.630
   35    HZ2  LYS   4          2HZ       LYS   4  11.907  -2.605  -8.088
   36    HZ3  LYS   4          3HZ       LYS   4  11.963  -3.444  -6.620
   37    H    TRP   5           H        TRP   5   7.632   0.494  -2.799
   38    HA   TRP   5           HA       TRP   5   8.314  -0.476  -0.857
   39    HB2  TRP   5          1HB       TRP   5   6.427  -2.080  -1.405
   40    HB3  TRP   5          2HB       TRP   5   7.645  -3.147  -2.100
   41    HD1  TRP   5           HD1      TRP   5   7.786  -1.193   1.252
   42    HE1  TRP   5           HE1      TRP   5   8.228  -2.890   3.136
   43    HE3  TRP   5           HE3      TRP   5   7.704  -5.502  -1.499
   44    HZ2  TRP   5           HZ2      TRP   5   8.507  -5.685   3.418
   45    HZ3  TRP   5           HZ3      TRP   5   8.067  -7.644  -0.346
   46    HH2  TRP   5           HH2      TRP   5   8.461  -7.732   2.062
   47    H    NLE   6           H        NLE   6  10.264  -0.684  -0.217
   48    HA   NLE   6           HA       NLE   6  12.643  -1.214  -0.159
   49    HB2  NLE   6          1HB       NLE   6  11.628  -3.539  -0.792
   50    HB3  NLE   6          2HB       NLE   6  12.173  -3.202  -2.432
   51    HG2  NLE   6          1HG       NLE   6  14.406  -3.585  -1.895
   52    HG3  NLE   6          2HG       NLE   6  14.320  -2.705  -0.373
   53    HD2  NLE   6          1HD       NLE   6  12.841  -4.874   0.400
   54    HD3  NLE   6          2HD       NLE   6  13.741  -5.650  -0.910
   55    HE1  NLE   6          1HE       NLE   6  14.937  -4.136   1.358
   56    HE2  NLE   6          2HE       NLE   6  14.913  -5.794   1.161
   57    HE3  NLE   6          3HE       NLE   6  15.803  -4.851   0.113
   58    H    TRP   7           H        TRP   7  10.989   0.388  -2.538
   59    HA   TRP   7           HA       TRP   7  13.405   1.005  -4.102
   60    HB2  TRP   7          1HB       TRP   7  11.800   0.361  -5.660
   61    HB3  TRP   7          2HB       TRP   7  10.480   1.096  -4.754
   62    HD1  TRP   7           HD1      TRP   7   9.754   3.477  -5.455
   63    HE1  TRP   7           HE1      TRP   7  10.605   5.202  -7.166
   64    HE3  TRP   7           HE3      TRP   7  14.143   1.213  -6.774
   65    HZ2  TRP   7           HZ2      TRP   7  12.841   5.555  -8.852
   66    HZ3  TRP   7           HZ3      TRP   7  15.580   2.308  -8.443
   67    HH2  TRP   7           HH2      TRP   7  14.941   4.435  -9.460
   68    H    THR   8           H        THR   8  13.801   3.236  -4.659
   69    HA   THR   8           HA       THR   8  13.374   4.987  -2.422
   70    HB   THR   8           HB       THR   8  14.764   6.590  -3.629
   71    HG1  THR   8           HG1      THR   8  14.258   6.374  -5.746
   72   HG21  THR   8          1HG2      THR   8  15.622   4.286  -2.561
   73   HG22  THR   8          2HG2      THR   8  16.713   5.470  -3.284
   74   HG23  THR   8          3HG2      THR   8  16.195   4.063  -4.214
   75    H    CYS   9           H        CYS   9  11.303   5.629  -2.245
   76    HA   CYS   9           HA       CYS   9   9.374   6.299  -4.027
   77    HB2  CYS   9          1HB       CYS   9   8.877   8.241  -2.266
   78    HB3  CYS   9          2HB       CYS   9   8.755   6.573  -1.802
   79    H    ASP  10           H        ASP  10   9.646   7.413  -5.969
   80    HA   ASP  10           HA       ASP  10   9.817  10.149  -5.983
   81    HB2  ASP  10          1HB       ASP  10  12.409   8.944  -5.559
   82    HB3  ASP  10          2HB       ASP  10  12.389   9.850  -7.069
   83    H    SER  11           H        SER  11  11.852   8.013  -7.958
   84    HA   SER  11           HA       SER  11  10.753   8.993 -10.387
   85    HB2  SER  11          1HB       SER  11  13.030   7.591  -9.684
   86    HB3  SER  11          2HB       SER  11  12.094   6.400 -10.589
   87    HG   SER  11           HG       SER  11  12.266   7.585 -12.364
   88    H    LYS  12           H        LYS  12   9.543   6.848  -8.151
   89    HA   LYS  12           HA       LYS  12   7.873   5.514 -10.181
   90    HB2  LYS  12          1HB       LYS  12   8.831   4.521  -7.497
   91    HB3  LYS  12          2HB       LYS  12   7.538   3.740  -8.399
   92    HG2  LYS  12          1HG       LYS  12  10.132   4.219  -9.771
   93    HG3  LYS  12          2HG       LYS  12  10.029   2.921  -8.579
   94    HD2  LYS  12          1HD       LYS  12   8.029   3.195 -10.804
   95    HD3  LYS  12          2HD       LYS  12   9.551   2.326 -11.019
   96    HE2  LYS  12          1HE       LYS  12   8.935   0.921  -9.049
   97    HE3  LYS  12          2HE       LYS  12   7.364   1.719  -9.034
   98    HZ1  LYS  12          1HZ       LYS  12   8.489   0.008 -11.180
   99    HZ2  LYS  12          2HZ       LYS  12   7.084   0.930 -11.366
  100    HZ3  LYS  12          3HZ       LYS  12   7.136  -0.310 -10.215
  101    H    ARG  13           H        ARG  13   7.839   6.523  -6.759
  102    HA   ARG  13           HA       ARG  13   5.576   8.131  -6.935
  103    HB2  ARG  13          1HB       ARG  13   4.064   6.435  -5.585
  104    HB3  ARG  13          2HB       ARG  13   4.069   6.450  -7.343
  105    HG2  ARG  13          1HG       ARG  13   6.127   4.706  -6.351
  106    HG3  ARG  13          2HG       ARG  13   4.560   4.283  -5.659
  107    HD2  ARG  13          1HD       ARG  13   4.241   4.855  -8.442
  108    HD3  ARG  13          2HD       ARG  13   5.550   3.694  -8.237
  109    HE   ARG  13           HE       ARG  13   2.739   3.286  -7.634
  110   HH11  ARG  13          1HH1      ARG  13   6.009   2.120  -7.375
  111   HH12  ARG  13          2HH1      ARG  13   5.538   0.483  -7.054
  112   HH21  ARG  13          1HH2      ARG  13   2.106   1.135  -7.211
  113   HH22  ARG  13          2HH2      ARG  13   3.318  -0.075  -6.963
  114    H    ALA  14           H        ALA  14   4.576   8.528  -4.714
  115    HA   ALA  14           HA       ALA  14   6.627   9.114  -2.883
  116    HB1  ALA  14          1HB       ALA  14   5.040  10.478  -2.151
  117    HB2  ALA  14          2HB       ALA  14   3.838   9.641  -3.136
  118    HB3  ALA  14          3HB       ALA  14   4.168   9.093  -1.492
  119    H    CYS  15           H        CYS  15   6.249   8.522  -0.457
  120    HA   CYS  15           HA       CYS  15   6.256   5.591  -0.335
  121    HB2  CYS  15          1HB       CYS  15   7.630   7.731   1.239
  122    HB3  CYS  15          2HB       CYS  15   7.042   6.328   2.194
  123    H    CYS  16           H        CYS  16   5.605   4.333   1.402
  124    HA   CYS  16           HA       CYS  16   2.798   4.995   1.633
  125    HB2  CYS  16          1HB       CYS  16   4.348   2.612   1.649
  126    HB3  CYS  16          2HB       CYS  16   3.494   2.697   3.185
  127    H    GLU  17           H        GLU  17   1.902   4.166   4.004
  128    HA   GLU  17           HA       GLU  17   2.753   6.218   5.887
  129    HB2  GLU  17          1HB       GLU  17   0.421   5.459   5.597
  130    HB3  GLU  17          2HB       GLU  17   0.838   3.871   6.226
  131    HG2  GLU  17          1HG       GLU  17   1.190   6.476   7.781
  132    HG3  GLU  17          2HG       GLU  17  -0.286   5.519   7.821
  133    H    GLY  18           H        GLY  18   4.366   6.036   7.302
  134    HA2  GLY  18          1HA       GLY  18   5.522   5.053   9.118
  135    HA3  GLY  18          2HA       GLY  18   5.061   3.466   8.520
  136    H    LEU  19           H        LEU  19   5.890   3.822   5.826
  137    HA   LEU  19           HA       LEU  19   8.485   2.914   5.893
  138    HB2  LEU  19          1HB       LEU  19   6.674   3.967   3.853
  139    HB3  LEU  19          2HB       LEU  19   8.378   4.180   3.465
  140    HG   LEU  19           HG       LEU  19   8.763   1.894   3.325
  141   HD11  LEU  19          1HD1      LEU  19   7.013   0.231   4.115
  142   HD12  LEU  19          2HD1      LEU  19   6.275   1.581   4.977
  143   HD13  LEU  19          3HD1      LEU  19   7.924   1.083   5.363
  144   HD21  LEU  19          1HD2      LEU  19   6.945   2.967   1.705
  145   HD22  LEU  19          2HD2      LEU  19   5.938   1.719   2.439
  146   HD23  LEU  19          3HD2      LEU  19   7.423   1.272   1.597
  147    H    ARG  20           H        ARG  20  10.426   3.994   4.878
  148    HA   ARG  20           HA       ARG  20  10.641   6.774   5.832
  149    HB2  ARG  20          1HB       ARG  20  13.095   6.207   6.192
  150    HB3  ARG  20          2HB       ARG  20  11.949   5.490   7.317
  151    HG2  ARG  20          1HG       ARG  20  12.018   3.408   5.939
  152    HG3  ARG  20          2HG       ARG  20  13.321   4.145   5.003
  153    HD2  ARG  20          1HD       ARG  20  14.749   4.228   6.897
  154    HD3  ARG  20          2HD       ARG  20  13.429   3.824   7.993
  155    HE   ARG  20           HE       ARG  20  13.857   1.775   6.066
  156   HH11  ARG  20          1HH1      ARG  20  15.089   3.109   9.036
  157   HH12  ARG  20          2HH1      ARG  20  15.791   1.615   9.567
  158   HH21  ARG  20          1HH2      ARG  20  14.777  -0.195   6.753
  159   HH22  ARG  20          2HH2      ARG  20  15.614  -0.263   8.267
  160    H    CYS  21           H        CYS  21  10.402   7.890   4.054
  161    HA   CYS  21           HA       CYS  21  11.481   7.153   1.522
  162    HB2  CYS  21          1HB       CYS  21   9.446   8.589   2.028
  163    HB3  CYS  21          2HB       CYS  21  10.545   9.918   2.374
  164    H    LYS  22           H        LYS  22  13.034   8.451   4.147
  165    HA   LYS  22           HA       LYS  22  15.177   9.765   3.017
  166    HB2  LYS  22          1HB       LYS  22  14.510   9.063   5.540
  167    HB3  LYS  22          2HB       LYS  22  15.831   7.937   5.252
  168    HG2  LYS  22          1HG       LYS  22  17.345   9.738   4.791
  169    HG3  LYS  22          2HG       LYS  22  16.032  10.916   4.868
  170    HD2  LYS  22          1HD       LYS  22  15.699   9.930   7.274
  171    HD3  LYS  22          2HD       LYS  22  17.378   9.421   7.075
  172    HE2  LYS  22          1HE       LYS  22  18.015  11.735   6.593
  173    HE3  LYS  22          2HE       LYS  22  16.339  12.240   6.798
  174    HZ1  LYS  22          1HZ       LYS  22  16.893  10.889   9.092
  175    HZ2  LYS  22          2HZ       LYS  22  16.885  12.571   8.915
  176    HZ3  LYS  22          3HZ       LYS  22  18.336  11.715   8.781
  177    H    LEU  23           H        LEU  23  16.346   9.084   1.342
  178    HA   LEU  23           HA       LEU  23  17.881   7.867   0.171
  179    HB2  LEU  23          1HB       LEU  23  18.477   7.185   2.672
  180    HB3  LEU  23          2HB       LEU  23  17.880   5.624   2.113
  181    HG   LEU  23           HG       LEU  23  20.220   7.180   1.021
  182   HD11  LEU  23          1HD1      LEU  23  20.093   5.480   3.161
  183   HD12  LEU  23          2HD1      LEU  23  21.537   5.827   2.211
  184   HD13  LEU  23          3HD1      LEU  23  20.563   4.403   1.846
  185   HD21  LEU  23          1HD2      LEU  23  18.649   4.924  -0.103
  186   HD22  LEU  23          2HD2      LEU  23  20.403   4.879  -0.276
  187   HD23  LEU  23          3HD2      LEU  23  19.488   6.242  -0.923
  188    H    TRP  24           H        TRP  24  15.776   5.517   1.842
  189    HA   TRP  24           HA       TRP  24  14.492   4.810  -0.642
  190    HB2  TRP  24          1HB       TRP  24  15.275   2.641  -0.904
  191    HB3  TRP  24          2HB       TRP  24  16.734   3.487  -0.399
  192    HD1  TRP  24           HD1      TRP  24  14.157   0.954   0.862
  193    HE1  TRP  24           HE1      TRP  24  15.116  -0.233   2.934
  194    HE3  TRP  24           HE3      TRP  24  18.368   3.774   1.533
  195    HZ2  TRP  24           HZ2      TRP  24  17.362  -0.003   4.630
  196    HZ3  TRP  24           HZ3      TRP  24  19.868   3.226   3.403
  197    HH2  TRP  24           HH2      TRP  24  19.375   1.377   4.919
  198    H    CYS  25           H        CYS  25  12.510   3.752  -0.372
  199    HA   CYS  25           HA       CYS  25  11.601   3.852   2.419
  200    HB2  CYS  25          1HB       CYS  25  10.339   3.932  -0.186
  201    HB3  CYS  25          2HB       CYS  25   9.446   3.013   1.058
  202    H    ARG  26           H        ARG  26  10.889   2.423   3.682
  203    HA   ARG  26           HA       ARG  26  10.641  -0.293   2.882
  204    HB2  ARG  26          1HB       ARG  26  13.283   0.605   3.367
  205    HB3  ARG  26          2HB       ARG  26  12.821  -0.395   4.739
  206    HG2  ARG  26          1HG       ARG  26  12.768  -1.191   1.837
  207    HG3  ARG  26          2HG       ARG  26  13.903  -1.745   3.068
  208    HD2  ARG  26          1HD       ARG  26  10.932  -2.251   3.007
  209    HD3  ARG  26          2HD       ARG  26  12.201  -3.429   2.676
  210    HE   ARG  26           HE       ARG  26  12.445  -2.241   5.267
  211   HH11  ARG  26          1HH1      ARG  26  10.827  -4.715   3.428
  212   HH12  ARG  26          2HH1      ARG  26  10.526  -5.724   4.805
  213   HH21  ARG  26          1HH2      ARG  26  12.053  -3.560   7.088
  214   HH22  ARG  26          2HH2      ARG  26  11.222  -5.066   6.885
  215    H    LYS  27           H        LYS  27   9.959  -1.657   4.584
  216    HA   LYS  27           HA       LYS  27   8.400  -0.437   6.555
  217    HB2  LYS  27          1HB       LYS  27   8.974  -3.102   5.679
  218    HB3  LYS  27          2HB       LYS  27   9.046  -3.057   7.435
  219    HG2  LYS  27          1HG       LYS  27   6.731  -2.008   5.825
  220    HG3  LYS  27          2HG       LYS  27   6.814  -3.638   6.498
  221    HD2  LYS  27          1HD       LYS  27   7.418  -2.107   8.673
  222    HD3  LYS  27          2HD       LYS  27   6.273  -1.074   7.817
  223    HE2  LYS  27          1HE       LYS  27   4.620  -2.812   7.816
  224    HE3  LYS  27          2HE       LYS  27   5.772  -3.973   8.474
  225    HZ1  LYS  27          1HZ       LYS  27   4.537  -3.316  10.303
  226    HZ2  LYS  27          2HZ       LYS  27   4.478  -1.694   9.828
  227    HZ3  LYS  27          3HZ       LYS  27   5.919  -2.347  10.426
  228    H    GLU  28           H        GLU  28   8.668  -0.068   8.729
  229    HA   GLU  28           HA       GLU  28  10.936  -0.938  10.205
  230    HB2  GLU  28          1HB       GLU  28  12.132   1.108  10.470
  231    HB3  GLU  28          2HB       GLU  28  11.941   0.844   8.742
  232    HG2  GLU  28          1HG       GLU  28  11.078   2.868   8.564
  233    HG3  GLU  28          2HG       GLU  28   9.715   2.346   9.553
  234    H    ILE  29           H        ILE  29  11.020   0.149  12.389
  235    HA   ILE  29           HA       ILE  29   8.587   1.489  13.217
  236    HB   ILE  29           HB       ILE  29   7.988  -0.912  13.318
  237   HG12  ILE  29          1HG1      ILE  29   8.005  -0.476  16.157
  238   HG13  ILE  29          2HG1      ILE  29   7.721   1.055  15.335
  239   HG21  ILE  29          1HG2      ILE  29  10.441  -1.513  13.927
  240   HG22  ILE  29          2HG2      ILE  29   9.902  -1.254  15.585
  241   HG23  ILE  29          3HG2      ILE  29   9.120  -2.477  14.583
  242   HD11  ILE  29          1HD1      ILE  29   5.810   0.170  14.216
  243   HD12  ILE  29          2HD1      ILE  29   6.155  -1.456  14.803
  244   HD13  ILE  29          3HD1      ILE  29   5.662  -0.197  15.935
  245    HXT  ILE  29           HXT      ILE  29   8.755   1.670  15.813
  Start of MODEL    2
    1    H1   TYR   1          1H        TYR   1  -0.245   6.507  -0.314
    2    H2   TYR   1          2H        TYR   1   0.098   4.969  -0.585
    3    H3   TYR   1          3H        TYR   1   1.167   5.954   0.194
    4    HA   TYR   1           HA       TYR   1   0.479   6.164  -2.598
    5    HB2  TYR   1          1HB       TYR   1   2.509   7.488  -0.808
    6    HB3  TYR   1          2HB       TYR   1   2.712   7.432  -2.557
    7    HD1  TYR   1           HD1      TYR   1   0.949   8.980   0.210
    8    HD2  TYR   1           HD2      TYR   1   1.092   8.603  -4.024
    9    HE1  TYR   1           HE1      TYR   1  -0.465  10.980  -0.009
   10    HE2  TYR   1           HE2      TYR   1  -0.321  10.603  -4.256
   11    HH   TYR   1           HH       TYR   1  -0.765  12.734  -2.688
   12    H    CYS   2           H        CYS   2   3.079   5.065  -0.285
   13    HA   CYS   2           HA       CYS   2   4.619   3.368  -0.444
   14    HB2  CYS   2          1HB       CYS   2   2.578   2.105  -2.304
   15    HB3  CYS   2          2HB       CYS   2   4.073   1.352  -1.844
   16    H    GLN   3           H        GLN   3   6.293   2.562  -1.811
   17    HA   GLN   3           HA       GLN   3   6.532   3.795  -4.464
   18    HB2  GLN   3          1HB       GLN   3   8.800   4.453  -4.088
   19    HB3  GLN   3          2HB       GLN   3   7.834   5.105  -2.772
   20    HG2  GLN   3          1HG       GLN   3   9.624   2.689  -2.680
   21    HG3  GLN   3          2HG       GLN   3   9.892   4.245  -1.897
   22   HE21  GLN   3          1HE2      GLN   3   7.584   4.831  -0.721
   23   HE22  GLN   3          2HE2      GLN   3   7.146   3.632   0.442
   24    H    LYS   4           H        LYS   4   5.682   1.250  -4.157
   25    HA   LYS   4           HA       LYS   4   6.073  -0.806  -5.081
   26    HB2  LYS   4          1HB       LYS   4   7.738   0.601  -6.518
   27    HB3  LYS   4          2HB       LYS   4   8.969  -0.135  -5.499
   28    HG2  LYS   4          1HG       LYS   4   8.754  -1.410  -7.514
   29    HG3  LYS   4          2HG       LYS   4   8.132  -2.365  -6.164
   30    HD2  LYS   4          1HD       LYS   4   5.945  -2.175  -6.865
   31    HD3  LYS   4          2HD       LYS   4   6.245  -0.671  -7.739
   32    HE2  LYS   4          1HE       LYS   4   6.132  -2.024  -9.541
   33    HE3  LYS   4          2HE       LYS   4   7.820  -2.343  -9.138
   34    HZ1  LYS   4          1HZ       LYS   4   5.780  -4.185  -9.320
   35    HZ2  LYS   4          2HZ       LYS   4   6.089  -4.041  -7.662
   36    HZ3  LYS   4          3HZ       LYS   4   7.341  -4.453  -8.723
   37    H    TRP   5           H        TRP   5   7.815   0.531  -2.509
   38    HA   TRP   5           HA       TRP   5   8.557  -0.374  -0.552
   39    HB2  TRP   5          1HB       TRP   5   6.597  -1.981  -0.982
   40    HB3  TRP   5          2HB       TRP   5   7.814  -3.111  -1.567
   41    HD1  TRP   5           HD1      TRP   5   7.618  -0.889   1.626
   42    HE1  TRP   5           HE1      TRP   5   8.186  -2.376   3.648
   43    HE3  TRP   5           HE3      TRP   5   8.335  -5.329  -0.806
   44    HZ2  TRP   5           HZ2      TRP   5   8.850  -5.074   4.146
   45    HZ3  TRP   5           HZ3      TRP   5   8.935  -7.315   0.516
   46    HH2  TRP   5           HH2      TRP   5   9.187  -7.188   2.941
   47    H    NLE   6           H        NLE   6  10.507  -0.755   0.066
   48    HA   NLE   6           HA       NLE   6  12.872  -1.307  -0.011
   49    HB2  NLE   6          1HB       NLE   6  12.277  -3.325  -2.212
   50    HB3  NLE   6          2HB       NLE   6  13.548  -3.363  -0.993
   51    HG2  NLE   6          1HG       NLE   6  11.217  -3.357   0.611
   52    HG3  NLE   6          2HG       NLE   6  10.663  -4.253  -0.800
   53    HD2  NLE   6          1HD       NLE   6  11.567  -5.877   0.789
   54    HD3  NLE   6          2HD       NLE   6  12.699  -5.806  -0.570
   55    HE1  NLE   6          1HE       NLE   6  12.989  -4.346   2.010
   56    HE2  NLE   6          2HE       NLE   6  13.837  -5.698   1.524
   57    HE3  NLE   6          3HE       NLE   6  14.062  -4.253   0.723
   58    H    TRP   7           H        TRP   7  11.169   0.319  -2.315
   59    HA   TRP   7           HA       TRP   7  13.526   0.810  -4.013
   60    HB2  TRP   7          1HB       TRP   7  11.837   0.128  -5.474
   61    HB3  TRP   7          2HB       TRP   7  10.579   0.960  -4.564
   62    HD1  TRP   7           HD1      TRP   7   9.889   3.298  -5.408
   63    HE1  TRP   7           HE1      TRP   7  10.759   4.910  -7.217
   64    HE3  TRP   7           HE3      TRP   7  14.216   0.872  -6.642
   65    HZ2  TRP   7           HZ2      TRP   7  12.987   5.124  -8.938
   66    HZ3  TRP   7           HZ3      TRP   7  15.661   1.848  -8.379
   67    HH2  TRP   7           HH2      TRP   7  15.057   3.929  -9.502
   68    H    THR   8           H        THR   8  14.050   2.975  -4.558
   69    HA   THR   8           HA       THR   8  13.688   4.816  -2.402
   70    HB   THR   8           HB       THR   8  15.087   6.343  -3.682
   71    HG1  THR   8           HG1      THR   8  14.937   6.227  -5.785
   72   HG21  THR   8          1HG2      THR   8  15.914   4.031  -2.605
   73   HG22  THR   8          2HG2      THR   8  17.013   5.172  -3.383
   74   HG23  THR   8          3HG2      THR   8  16.425   3.767  -4.272
   75    H    CYS   9           H        CYS   9  11.595   5.443  -2.223
   76    HA   CYS   9           HA       CYS   9   9.561   6.247  -3.869
   77    HB2  CYS   9          1HB       CYS   9   9.166   7.969  -2.033
   78    HB3  CYS   9          2HB       CYS   9   9.424   6.316  -1.497
   79    H    ASP  10           H        ASP  10   9.939   7.292  -5.898
   80    HA   ASP  10           HA       ASP  10  10.158  10.020  -5.949
   81    HB2  ASP  10          1HB       ASP  10  12.731   8.801  -5.503
   82    HB3  ASP  10          2HB       ASP  10  12.726   9.643  -7.051
   83    H    SER  11           H        SER  11  11.930   7.555  -7.825
   84    HA   SER  11           HA       SER  11  10.776   8.585 -10.279
   85    HB2  SER  11          1HB       SER  11  13.152   7.156  -9.566
   86    HB3  SER  11          2HB       SER  11  12.273   6.223 -10.779
   87    HG   SER  11           HG       SER  11  13.829   8.037 -11.414
   88    H    LYS  12           H        LYS  12   9.152   7.147  -8.220
   89    HA   LYS  12           HA       LYS  12   7.800   5.362 -10.080
   90    HB2  LYS  12          1HB       LYS  12   8.971   4.489  -7.451
   91    HB3  LYS  12          2HB       LYS  12   7.566   3.676  -8.131
   92    HG2  LYS  12          1HG       LYS  12   9.027   3.449 -10.255
   93    HG3  LYS  12          2HG       LYS  12  10.370   3.778  -9.158
   94    HD2  LYS  12          1HD       LYS  12  10.167   1.424  -9.258
   95    HD3  LYS  12          2HD       LYS  12   9.470   1.905  -7.709
   96    HE2  LYS  12          1HE       LYS  12   7.896   0.414  -8.499
   97    HE3  LYS  12          2HE       LYS  12   7.234   1.959  -9.032
   98    HZ1  LYS  12          1HZ       LYS  12   7.090   0.765 -10.948
   99    HZ2  LYS  12          2HZ       LYS  12   8.445  -0.188 -10.612
  100    HZ3  LYS  12          3HZ       LYS  12   8.643   1.402 -11.154
  101    H    ARG  13           H        ARG  13   7.790   6.513  -6.705
  102    HA   ARG  13           HA       ARG  13   5.411   7.952  -6.904
  103    HB2  ARG  13          1HB       ARG  13   4.113   6.220  -5.354
  104    HB3  ARG  13          2HB       ARG  13   3.995   6.175  -7.108
  105    HG2  ARG  13          1HG       ARG  13   6.240   4.619  -6.213
  106    HG3  ARG  13          2HG       ARG  13   4.758   4.106  -5.402
  107    HD2  ARG  13          1HD       ARG  13   4.214   4.563  -8.171
  108    HD3  ARG  13          2HD       ARG  13   5.615   3.503  -8.022
  109    HE   ARG  13           HE       ARG  13   4.247   1.857  -7.184
  110   HH11  ARG  13          1HH1      ARG  13   2.532   4.887  -7.242
  111   HH12  ARG  13          2HH1      ARG  13   0.996   4.173  -6.872
  112   HH21  ARG  13          1HH2      ARG  13   2.232   0.906  -6.694
  113   HH22  ARG  13          2HH2      ARG  13   0.828   1.910  -6.559
  114    H    ALA  14           H        ALA  14   4.487   8.479  -4.696
  115    HA   ALA  14           HA       ALA  14   6.554   9.312  -2.988
  116    HB1  ALA  14          1HB       ALA  14   3.880   9.889  -3.268
  117    HB2  ALA  14          2HB       ALA  14   3.959   9.113  -1.685
  118    HB3  ALA  14          3HB       ALA  14   4.954  10.531  -2.023
  119    H    CYS  15           H        CYS  15   5.606   8.772  -0.411
  120    HA   CYS  15           HA       CYS  15   6.289   5.919  -0.158
  121    HB2  CYS  15          1HB       CYS  15   7.071   8.336   1.377
  122    HB3  CYS  15          2HB       CYS  15   6.794   6.868   2.309
  123    H    CYS  16           H        CYS  16   5.173   4.618   1.237
  124    HA   CYS  16           HA       CYS  16   2.361   5.287   1.797
  125    HB2  CYS  16          1HB       CYS  16   3.944   2.860   1.455
  126    HB3  CYS  16          2HB       CYS  16   3.058   2.758   2.933
  127    H    GLU  17           H        GLU  17   1.520   4.409   3.962
  128    HA   GLU  17           HA       GLU  17   2.572   6.111   6.048
  129    HB2  GLU  17          1HB       GLU  17   0.598   3.792   6.198
  130    HB3  GLU  17          2HB       GLU  17   0.922   4.949   7.491
  131    HG2  GLU  17          1HG       GLU  17  -0.287   5.597   4.766
  132    HG3  GLU  17          2HG       GLU  17  -1.149   5.497   6.295
  133    H    GLY  18           H        GLY  18   4.032   5.695   7.570
  134    HA2  GLY  18          1HA       GLY  18   5.206   4.407   9.165
  135    HA3  GLY  18          2HA       GLY  18   4.812   2.957   8.252
  136    H    LEU  19           H        LEU  19   5.688   3.661   5.727
  137    HA   LEU  19           HA       LEU  19   8.361   2.985   5.772
  138    HB2  LEU  19          1HB       LEU  19   6.579   4.249   3.752
  139    HB3  LEU  19          2HB       LEU  19   8.311   4.215   3.437
  140    HG   LEU  19           HG       LEU  19   8.319   2.005   2.980
  141   HD11  LEU  19          1HD1      LEU  19   7.867   1.215   5.172
  142   HD12  LEU  19          2HD1      LEU  19   6.763   0.374   4.084
  143   HD13  LEU  19          3HD1      LEU  19   6.177   1.709   5.072
  144   HD21  LEU  19          1HD2      LEU  19   5.570   1.531   2.547
  145   HD22  LEU  19          2HD2      LEU  19   6.797   1.988   1.366
  146   HD23  LEU  19          3HD2      LEU  19   5.865   3.234   2.196
  147    H    ARG  20           H        ARG  20  10.148   4.389   4.751
  148    HA   ARG  20           HA       ARG  20  10.048   7.134   5.787
  149    HB2  ARG  20          1HB       ARG  20  12.474   6.772   6.514
  150    HB3  ARG  20          2HB       ARG  20  11.221   6.053   7.514
  151    HG2  ARG  20          1HG       ARG  20  11.692   3.893   6.757
  152    HG3  ARG  20          2HG       ARG  20  12.595   4.486   5.362
  153    HD2  ARG  20          1HD       ARG  20  14.416   5.163   6.709
  154    HD3  ARG  20          2HD       ARG  20  13.480   4.984   8.192
  155    HE   ARG  20           HE       ARG  20  14.872   2.919   6.761
  156   HH11  ARG  20          1HH1      ARG  20  12.263   3.613   8.959
  157   HH12  ARG  20          2HH1      ARG  20  12.251   2.026   9.653
  158   HH21  ARG  20          1HH2      ARG  20  14.867   0.825   7.668
  159   HH22  ARG  20          2HH2      ARG  20  13.733   0.441   8.920
  160    H    CYS  21           H        CYS  21  10.082   8.248   3.951
  161    HA   CYS  21           HA       CYS  21  11.535   7.420   1.634
  162    HB2  CYS  21          1HB       CYS  21   9.499   9.049   1.821
  163    HB3  CYS  21          2HB       CYS  21  10.685  10.284   2.171
  164    H    LYS  22           H        LYS  22  12.983   9.581   0.737
  165    HA   LYS  22           HA       LYS  22  15.109  10.393   0.725
  166    HB2  LYS  22          1HB       LYS  22  14.215  10.824   3.308
  167    HB3  LYS  22          2HB       LYS  22  15.737   9.976   3.547
  168    HG2  LYS  22          1HG       LYS  22  16.973  11.647   2.500
  169    HG3  LYS  22          2HG       LYS  22  15.552  12.333   1.710
  170    HD2  LYS  22          1HD       LYS  22  15.678  13.848   3.378
  171    HD3  LYS  22          2HD       LYS  22  14.847  12.597   4.307
  172    HE2  LYS  22          1HE       LYS  22  17.652  12.076   4.348
  173    HE3  LYS  22          2HE       LYS  22  17.380  13.759   4.793
  174    HZ1  LYS  22          1HZ       LYS  22  17.127  11.588   6.434
  175    HZ2  LYS  22          2HZ       LYS  22  15.529  12.007   6.074
  176    HZ3  LYS  22          3HZ       LYS  22  16.571  13.153   6.756
  177    H    LEU  23           H        LEU  23  16.588   9.165  -0.220
  178    HA   LEU  23           HA       LEU  23  18.288   7.653  -0.457
  179    HB2  LEU  23          1HB       LEU  23  18.194   7.992   2.254
  180    HB3  LEU  23          2HB       LEU  23  17.915   6.260   2.093
  181    HG   LEU  23           HG       LEU  23  20.292   7.750   0.982
  182   HD11  LEU  23          1HD1      LEU  23  20.152   5.882   3.341
  183   HD12  LEU  23          2HD1      LEU  23  20.219   7.640   3.459
  184   HD13  LEU  23          3HD1      LEU  23  21.566   6.753   2.751
  185   HD21  LEU  23          1HD2      LEU  23  20.717   4.964   1.238
  186   HD22  LEU  23          2HD2      LEU  23  20.674   5.936  -0.234
  187   HD23  LEU  23          3HD2      LEU  23  19.194   5.196   0.377
  188    H    TRP  24           H        TRP  24  15.596   6.263   1.421
  189    HA   TRP  24           HA       TRP  24  14.636   4.647  -0.644
  190    HB2  TRP  24          1HB       TRP  24  15.641   2.610  -0.434
  191    HB3  TRP  24          2HB       TRP  24  16.989   3.606   0.109
  192    HD1  TRP  24           HD1      TRP  24  14.295   1.227   1.448
  193    HE1  TRP  24           HE1      TRP  24  14.982   0.458   3.805
  194    HE3  TRP  24           HE3      TRP  24  18.350   4.263   2.143
  195    HZ2  TRP  24           HZ2      TRP  24  16.980   1.056   5.708
  196    HZ3  TRP  24           HZ3      TRP  24  19.594   4.101   4.260
  197    HH2  TRP  24           HH2      TRP  24  18.922   2.532   6.005
  198    H    CYS  25           H        CYS  25  12.726   3.655  -0.087
  199    HA   CYS  25           HA       CYS  25  11.738   4.270   2.593
  200    HB2  CYS  25          1HB       CYS  25  10.553   4.023  -0.068
  201    HB3  CYS  25          2HB       CYS  25   9.619   3.202   1.177
  202    H    ARG  26           H        ARG  26  10.782   2.738   3.942
  203    HA   ARG  26           HA       ARG  26  10.440   0.017   3.294
  204    HB2  ARG  26          1HB       ARG  26  13.126   0.748   3.844
  205    HB3  ARG  26          2HB       ARG  26  12.541  -0.168   5.228
  206    HG2  ARG  26          1HG       ARG  26  12.423  -1.084   2.362
  207    HG3  ARG  26          2HG       ARG  26  13.625  -1.589   3.552
  208    HD2  ARG  26          1HD       ARG  26  10.653  -2.089   3.624
  209    HD3  ARG  26          2HD       ARG  26  11.933  -3.284   3.407
  210    HE   ARG  26           HE       ARG  26  10.969  -2.249   5.875
  211   HH11  ARG  26          1HH1      ARG  26  13.840  -3.392   4.270
  212   HH12  ARG  26          2HH1      ARG  26  14.613  -3.901   5.735
  213   HH21  ARG  26          1HH2      ARG  26  11.976  -2.915   7.809
  214   HH22  ARG  26          2HH2      ARG  26  13.552  -3.630   7.748
  215    H    LYS  27           H        LYS  27   9.613  -1.211   5.040
  216    HA   LYS  27           HA       LYS  27   8.055   0.185   6.871
  217    HB2  LYS  27          1HB       LYS  27   8.569  -2.550   6.211
  218    HB3  LYS  27          2HB       LYS  27   8.585  -2.382   7.962
  219    HG2  LYS  27          1HG       LYS  27   6.374  -1.123   7.669
  220    HG3  LYS  27          2HG       LYS  27   6.358  -1.810   6.044
  221    HD2  LYS  27          1HD       LYS  27   6.358  -4.036   6.905
  222    HD3  LYS  27          2HD       LYS  27   6.661  -3.462   8.546
  223    HE2  LYS  27          1HE       LYS  27   4.480  -2.393   8.595
  224    HE3  LYS  27          2HE       LYS  27   4.182  -2.880   6.927
  225    HZ1  LYS  27          1HZ       LYS  27   3.785  -5.017   7.523
  226    HZ2  LYS  27          2HZ       LYS  27   3.296  -4.273   8.960
  227    HZ3  LYS  27          3HZ       LYS  27   4.829  -4.980   8.853
  228    H    GLU  28           H        GLU  28   8.170   0.338   9.176
  229    HA   GLU  28           HA       GLU  28  10.933   0.346  10.201
  230    HB2  GLU  28          1HB       GLU  28  10.067   2.614   9.952
  231    HB3  GLU  28          2HB       GLU  28   8.648   2.198  10.900
  232    HG2  GLU  28          1HG       GLU  28   9.914   1.982  12.882
  233    HG3  GLU  28          2HG       GLU  28  11.437   2.030  11.995
  234    H    ILE  29           H        ILE  29  10.782  -1.749  11.045
  235    HA   ILE  29           HA       ILE  29  10.393  -3.315  12.649
  236    HB   ILE  29           HB       ILE  29   9.338  -0.977  14.246
  237   HG12  ILE  29          1HG1      ILE  29  12.088  -2.234  14.303
  238   HG13  ILE  29          2HG1      ILE  29  11.700  -0.766  13.413
  239   HG21  ILE  29          1HG2      ILE  29   8.580  -2.808  15.419
  240   HG22  ILE  29          2HG2      ILE  29   9.936  -3.820  14.923
  241   HG23  ILE  29          3HG2      ILE  29  10.170  -2.566  16.141
  242   HD11  ILE  29          1HD1      ILE  29  11.882   0.479  15.239
  243   HD12  ILE  29          2HD1      ILE  29  10.850  -0.604  16.171
  244   HD13  ILE  29          3HD1      ILE  29  12.574  -0.939  16.026
  245    HXT  ILE  29           HXT      ILE  29   8.142  -2.865  14.461
  Start of MODEL    3
    1    H1   TYR   1          1H        TYR   1   1.542   7.899  -2.530
    2    H2   TYR   1          2H        TYR   1   2.446   7.246  -1.384
    3    H3   TYR   1          3H        TYR   1   2.792   7.008  -2.979
    4    HA   TYR   1           HA       TYR   1   0.856   5.734  -1.305
    5    HB2  TYR   1          1HB       TYR   1  -0.118   6.699  -3.524
    6    HB3  TYR   1          2HB       TYR   1   0.813   5.418  -4.291
    7    HD1  TYR   1           HD1      TYR   1  -1.925   6.112  -1.908
    8    HD2  TYR   1           HD2      TYR   1   0.080   3.155  -4.217
    9    HE1  TYR   1           HE1      TYR   1  -3.746   4.525  -1.445
   10    HE2  TYR   1           HE2      TYR   1  -1.734   1.561  -3.762
   11    HH   TYR   1           HH       TYR   1  -4.067   1.559  -3.116
   12    H    CYS   2           H        CYS   2   3.043   4.877  -0.488
   13    HA   CYS   2           HA       CYS   2   4.747   3.300  -0.479
   14    HB2  CYS   2          1HB       CYS   2   2.829   1.826  -2.318
   15    HB3  CYS   2          2HB       CYS   2   4.295   1.141  -1.690
   16    H    GLN   3           H        GLN   3   6.370   2.186  -1.831
   17    HA   GLN   3           HA       GLN   3   6.790   3.332  -4.490
   18    HB2  GLN   3          1HB       GLN   3   9.098   3.862  -4.045
   19    HB3  GLN   3          2HB       GLN   3   8.092   4.683  -2.859
   20    HG2  GLN   3          1HG       GLN   3   9.651   2.148  -2.413
   21    HG3  GLN   3          2HG       GLN   3  10.081   3.755  -1.829
   22   HE21  GLN   3          1HE2      GLN   3   7.782   4.735  -0.868
   23   HE22  GLN   3          2HE2      GLN   3   7.194   3.765   0.436
   24    H    LYS   4           H        LYS   4   5.817   0.836  -4.083
   25    HA   LYS   4           HA       LYS   4   6.147  -1.278  -4.887
   26    HB2  LYS   4          1HB       LYS   4   8.044   0.106  -6.223
   27    HB3  LYS   4          2HB       LYS   4   9.065  -0.977  -5.288
   28    HG2  LYS   4          1HG       LYS   4   8.766  -2.247  -7.149
   29    HG3  LYS   4          2HG       LYS   4   7.381  -2.791  -6.200
   30    HD2  LYS   4          1HD       LYS   4   6.097  -0.901  -7.386
   31    HD3  LYS   4          2HD       LYS   4   7.446  -0.892  -8.523
   32    HE2  LYS   4          1HE       LYS   4   6.874  -2.888  -9.426
   33    HE3  LYS   4          2HE       LYS   4   6.282  -3.532  -7.894
   34    HZ1  LYS   4          1HZ       LYS   4   4.501  -3.207  -9.515
   35    HZ2  LYS   4          2HZ       LYS   4   4.847  -1.552  -9.580
   36    HZ3  LYS   4          3HZ       LYS   4   4.274  -2.241  -8.144
   37    H    TRP   5           H        TRP   5   7.883   0.120  -2.350
   38    HA   TRP   5           HA       TRP   5   8.541  -0.717  -0.332
   39    HB2  TRP   5          1HB       TRP   5   6.570  -2.320  -0.774
   40    HB3  TRP   5          2HB       TRP   5   7.800  -3.489  -1.247
   41    HD1  TRP   5           HD1      TRP   5   7.770  -1.063   1.789
   42    HE1  TRP   5           HE1      TRP   5   8.125  -2.464   3.918
   43    HE3  TRP   5           HE3      TRP   5   7.873  -5.722  -0.313
   44    HZ2  TRP   5           HZ2      TRP   5   8.411  -5.185   4.617
   45    HZ3  TRP   5           HZ3      TRP   5   8.192  -7.672   1.155
   46    HH2  TRP   5           HH2      TRP   5   8.456  -7.406   3.568
   47    H    NLE   6           H        NLE   6  10.471  -1.083   0.346
   48    HA   NLE   6           HA       NLE   6  12.841  -1.582   0.320
   49    HB2  NLE   6          1HB       NLE   6  13.338  -3.759   0.049
   50    HB3  NLE   6          2HB       NLE   6  11.593  -3.964  -0.095
   51    HG2  NLE   6          1HG       NLE   6  11.794  -4.720  -2.261
   52    HG3  NLE   6          2HG       NLE   6  12.725  -3.314  -2.761
   53    HD2  NLE   6          1HD       NLE   6  13.909  -5.795  -1.337
   54    HD3  NLE   6          2HD       NLE   6  14.008  -5.465  -3.070
   55    HE1  NLE   6          1HE       NLE   6  15.118  -3.742  -0.911
   56    HE2  NLE   6          2HE       NLE   6  15.976  -4.748  -1.932
   57    HE3  NLE   6          3HE       NLE   6  15.204  -3.405  -2.551
   58    H    TRP   7           H        TRP   7  11.235  -0.124  -2.077
   59    HA   TRP   7           HA       TRP   7  13.572   0.057  -3.861
   60    HB2  TRP   7          1HB       TRP   7  11.849  -0.754  -5.219
   61    HB3  TRP   7          2HB       TRP   7  10.628   0.233  -4.423
   62    HD1  TRP   7           HD1      TRP   7  10.197   2.638  -5.374
   63    HE1  TRP   7           HE1      TRP   7  11.052   3.908  -7.443
   64    HE3  TRP   7           HE3      TRP   7  14.008  -0.488  -6.727
   65    HZ2  TRP   7           HZ2      TRP   7  13.076   3.622  -9.390
   66    HZ3  TRP   7           HZ3      TRP   7  15.356   0.082  -8.705
   67    HH2  TRP   7           HH2      TRP   7  14.897   2.095 -10.008
   68    H    THR   8           H        THR   8  14.295   2.083  -4.495
   69    HA   THR   8           HA       THR   8  14.079   4.162  -2.631
   70    HB   THR   8           HB       THR   8  15.176   5.581  -4.393
   71    HG1  THR   8           HG1      THR   8  15.929   4.091  -6.219
   72   HG21  THR   8          1HG2      THR   8  16.239   3.639  -2.836
   73   HG22  THR   8          2HG2      THR   8  17.193   4.697  -3.877
   74   HG23  THR   8          3HG2      THR   8  16.743   3.085  -4.432
   75    H    CYS   9           H        CYS   9  12.176   5.111  -2.210
   76    HA   CYS   9           HA       CYS   9  10.046   5.457  -3.970
   77    HB2  CYS   9          1HB       CYS   9   9.097   6.926  -2.332
   78    HB3  CYS   9          2HB       CYS   9   9.964   5.664  -1.466
   79    H    ASP  10           H        ASP  10   9.250   8.057  -3.969
   80    HA   ASP  10           HA       ASP  10   9.439  10.042  -5.065
   81    HB2  ASP  10          1HB       ASP  10  12.431   9.641  -4.960
   82    HB3  ASP  10          2HB       ASP  10  11.562  11.161  -5.146
   83    H    SER  11           H        SER  11   9.244  10.585  -7.168
   84    HA   SER  11           HA       SER  11   9.252  10.394  -9.435
   85    HB2  SER  11          1HB       SER  11  11.971   9.873  -8.606
   86    HB3  SER  11          2HB       SER  11  11.575   8.936 -10.047
   87    HG   SER  11           HG       SER  11  11.903  10.735 -11.069
   88    H    LYS  12           H        LYS  12   8.583   8.033  -7.492
   89    HA   LYS  12           HA       LYS  12   8.190   6.070  -9.650
   90    HB2  LYS  12          1HB       LYS  12   9.983   5.396  -8.006
   91    HB3  LYS  12          2HB       LYS  12   8.735   5.351  -6.768
   92    HG2  LYS  12          1HG       LYS  12   9.062   3.130  -7.512
   93    HG3  LYS  12          2HG       LYS  12   7.524   3.674  -8.182
   94    HD2  LYS  12          1HD       LYS  12   8.247   3.439 -10.285
   95    HD3  LYS  12          2HD       LYS  12   9.775   4.251  -9.933
   96    HE2  LYS  12          1HE       LYS  12  10.873   2.315  -9.680
   97    HE3  LYS  12          2HE       LYS  12   9.560   1.585  -8.757
   98    HZ1  LYS  12          1HZ       LYS  12   9.647   1.851 -11.713
   99    HZ2  LYS  12          2HZ       LYS  12   8.397   1.140 -10.824
  100    HZ3  LYS  12          3HZ       LYS  12   9.931   0.427 -10.846
  101    H    ARG  13           H        ARG  13   7.096   7.177  -6.459
  102    HA   ARG  13           HA       ARG  13   4.443   7.496  -7.054
  103    HB2  ARG  13          1HB       ARG  13   3.551   5.338  -5.906
  104    HB3  ARG  13          2HB       ARG  13   4.012   5.285  -7.602
  105    HG2  ARG  13          1HG       ARG  13   5.893   4.033  -7.197
  106    HG3  ARG  13          2HG       ARG  13   6.026   4.577  -5.524
  107    HD2  ARG  13          1HD       ARG  13   5.316   2.337  -5.400
  108    HD3  ARG  13          2HD       ARG  13   3.875   3.307  -5.092
  109    HE   ARG  13           HE       ARG  13   4.132   2.639  -7.850
  110   HH11  ARG  13          1HH1      ARG  13   3.149   1.391  -4.751
  111   HH12  ARG  13          2HH1      ARG  13   2.042   0.240  -5.421
  112   HH21  ARG  13          1HH2      ARG  13   2.675   1.128  -8.743
  113   HH22  ARG  13          2HH2      ARG  13   1.773   0.091  -7.691
  114    H    ALA  14           H        ALA  14   6.516   8.496  -5.344
  115    HA   ALA  14           HA       ALA  14   6.836   9.330  -3.248
  116    HB1  ALA  14          1HB       ALA  14   5.009  10.304  -2.330
  117    HB2  ALA  14          2HB       ALA  14   4.284   9.836  -3.868
  118    HB3  ALA  14          3HB       ALA  14   4.034   8.837  -2.437
  119    H    CYS  15           H        CYS  15   5.745   8.759  -0.782
  120    HA   CYS  15           HA       CYS  15   6.486   5.930  -0.420
  121    HB2  CYS  15          1HB       CYS  15   7.216   8.395   1.057
  122    HB3  CYS  15          2HB       CYS  15   6.903   6.963   2.034
  123    H    CYS  16           H        CYS  16   5.336   4.674   1.056
  124    HA   CYS  16           HA       CYS  16   2.501   5.377   1.462
  125    HB2  CYS  16          1HB       CYS  16   4.046   2.913   1.352
  126    HB3  CYS  16          2HB       CYS  16   3.162   2.934   2.823
  127    H    GLU  17           H        GLU  17   1.733   4.379   3.703
  128    HA   GLU  17           HA       GLU  17   2.594   6.393   5.580
  129    HB2  GLU  17          1HB       GLU  17   0.561   4.162   5.605
  130    HB3  GLU  17          2HB       GLU  17   1.009   4.944   7.140
  131    HG2  GLU  17          1HG       GLU  17  -0.856   6.163   6.291
  132    HG3  GLU  17          2HG       GLU  17   0.579   7.169   5.979
  133    H    GLY  18           H        GLY  18   3.997   6.193   7.250
  134    HA2  GLY  18          1HA       GLY  18   5.136   5.083   8.990
  135    HA3  GLY  18          2HA       GLY  18   4.739   3.545   8.236
  136    H    LEU  19           H        LEU  19   5.669   4.013   5.649
  137    HA   LEU  19           HA       LEU  19   8.310   3.255   5.792
  138    HB2  LEU  19          1HB       LEU  19   6.598   4.425   3.668
  139    HB3  LEU  19          2HB       LEU  19   8.337   4.378   3.383
  140    HG   LEU  19           HG       LEU  19   8.361   2.142   3.062
  141   HD11  LEU  19          1HD1      LEU  19   6.716   0.594   4.200
  142   HD12  LEU  19          2HD1      LEU  19   6.183   1.994   5.130
  143   HD13  LEU  19          3HD1      LEU  19   7.852   1.435   5.254
  144   HD21  LEU  19          1HD2      LEU  19   5.674   1.589   2.531
  145   HD22  LEU  19          2HD2      LEU  19   6.905   2.121   1.385
  146   HD23  LEU  19          3HD2      LEU  19   5.878   3.309   2.190
  147    H    ARG  20           H        ARG  20  10.205   4.483   4.822
  148    HA   ARG  20           HA       ARG  20  10.190   7.299   5.668
  149    HB2  ARG  20          1HB       ARG  20  12.515   6.953   6.536
  150    HB3  ARG  20          2HB       ARG  20  11.265   6.126   7.456
  151    HG2  ARG  20          1HG       ARG  20  12.299   4.428   5.371
  152    HG3  ARG  20          2HG       ARG  20  13.594   5.028   6.408
  153    HD2  ARG  20          1HD       ARG  20  11.070   3.882   7.557
  154    HD3  ARG  20          2HD       ARG  20  12.413   2.845   7.075
  155    HE   ARG  20           HE       ARG  20  12.284   4.556   9.380
  156   HH11  ARG  20          1HH1      ARG  20  14.389   2.937   7.130
  157   HH12  ARG  20          2HH1      ARG  20  15.735   2.893   8.221
  158   HH21  ARG  20          1HH2      ARG  20  14.048   4.506  10.825
  159   HH22  ARG  20          2HH2      ARG  20  15.540   3.786  10.322
  160    H    CYS  21           H        CYS  21  10.364   8.334   3.773
  161    HA   CYS  21           HA       CYS  21  11.635   7.359   1.473
  162    HB2  CYS  21          1HB       CYS  21  10.189   9.686   2.223
  163    HB3  CYS  21          2HB       CYS  21  11.691  10.219   1.473
  164    H    LYS  22           H        LYS  22  13.273   9.391   0.556
  165    HA   LYS  22           HA       LYS  22  15.414  10.172   0.573
  166    HB2  LYS  22          1HB       LYS  22  15.578   9.592   3.520
  167    HB3  LYS  22          2HB       LYS  22  16.430  10.825   2.598
  168    HG2  LYS  22          1HG       LYS  22  13.958  11.673   2.162
  169    HG3  LYS  22          2HG       LYS  22  13.673  10.827   3.685
  170    HD2  LYS  22          1HD       LYS  22  15.913  12.184   4.314
  171    HD3  LYS  22          2HD       LYS  22  15.207  13.290   3.134
  172    HE2  LYS  22          1HE       LYS  22  13.169  13.424   4.397
  173    HE3  LYS  22          2HE       LYS  22  13.721  12.169   5.504
  174    HZ1  LYS  22          1HZ       LYS  22  15.504  13.657   6.216
  175    HZ2  LYS  22          2HZ       LYS  22  13.981  14.341   6.490
  176    HZ3  LYS  22          3HZ       LYS  22  14.923  14.865   5.186
  177    H    LEU  23           H        LEU  23  16.704   8.823  -0.497
  178    HA   LEU  23           HA       LEU  23  18.337   7.253  -0.818
  179    HB2  LEU  23          1HB       LEU  23  18.544   7.693   1.830
  180    HB3  LEU  23          2HB       LEU  23  18.052   6.000   1.837
  181    HG   LEU  23           HG       LEU  23  20.514   7.176   0.556
  182   HD11  LEU  23          1HD1      LEU  23  21.687   6.391   2.306
  183   HD12  LEU  23          2HD1      LEU  23  20.668   4.962   2.486
  184   HD13  LEU  23          3HD1      LEU  23  20.140   6.512   3.145
  185   HD21  LEU  23          1HD2      LEU  23  19.113   4.614   0.132
  186   HD22  LEU  23          2HD2      LEU  23  20.860   4.519   0.360
  187   HD23  LEU  23          3HD2      LEU  23  20.191   5.512  -0.938
  188    H    TRP  24           H        TRP  24  15.725   6.022   1.266
  189    HA   TRP  24           HA       TRP  24  14.612   4.362  -0.698
  190    HB2  TRP  24          1HB       TRP  24  15.524   2.289  -0.401
  191    HB3  TRP  24          2HB       TRP  24  16.937   3.253   0.027
  192    HD1  TRP  24           HD1      TRP  24  14.228   1.050   1.597
  193    HE1  TRP  24           HE1      TRP  24  14.972   0.403   3.975
  194    HE3  TRP  24           HE3      TRP  24  18.375   4.014   1.985
  195    HZ2  TRP  24           HZ2      TRP  24  17.042   1.062   5.777
  196    HZ3  TRP  24           HZ3      TRP  24  19.681   3.947   4.068
  197    HH2  TRP  24           HH2      TRP  24  19.027   2.502   5.925
  198    H    CYS  25           H        CYS  25  12.708   3.390  -0.011
  199    HA   CYS  25           HA       CYS  25  11.814   4.233   2.645
  200    HB2  CYS  25          1HB       CYS  25  10.529   3.799   0.040
  201    HB3  CYS  25          2HB       CYS  25   9.610   3.166   1.403
  202    H    ARG  26           H        ARG  26  10.913   2.827   4.139
  203    HA   ARG  26           HA       ARG  26  10.568   0.040   3.624
  204    HB2  ARG  26          1HB       ARG  26  13.181   0.891   4.336
  205    HB3  ARG  26          2HB       ARG  26  12.504   0.059   5.729
  206    HG2  ARG  26          1HG       ARG  26  12.740  -1.040   2.935
  207    HG3  ARG  26          2HG       ARG  26  13.724  -1.487   4.330
  208    HD2  ARG  26          1HD       ARG  26  10.751  -1.899   4.041
  209    HD3  ARG  26          2HD       ARG  26  11.988  -3.147   3.914
  210    HE   ARG  26           HE       ARG  26  10.938  -1.981   6.327
  211   HH11  ARG  26          1HH1      ARG  26  13.611  -3.679   4.877
  212   HH12  ARG  26          2HH1      ARG  26  14.169  -4.346   6.376
  213   HH21  ARG  26          1HH2      ARG  26  11.662  -2.855   8.306
  214   HH22  ARG  26          2HH2      ARG  26  13.059  -3.879   8.326
  215    H    LYS  27           H        LYS  27   9.588  -1.062   5.358
  216    HA   LYS  27           HA       LYS  27   7.864   0.412   6.950
  217    HB2  LYS  27          1HB       LYS  27   8.474  -2.340   6.532
  218    HB3  LYS  27          2HB       LYS  27   8.394  -2.060   8.267
  219    HG2  LYS  27          1HG       LYS  27   6.172  -0.857   7.735
  220    HG3  LYS  27          2HG       LYS  27   6.261  -1.723   6.201
  221    HD2  LYS  27          1HD       LYS  27   5.523  -3.584   7.168
  222    HD3  LYS  27          2HD       LYS  27   6.830  -3.523   8.353
  223    HE2  LYS  27          1HE       LYS  27   4.978  -3.421   9.715
  224    HE3  LYS  27          2HE       LYS  27   5.332  -1.710   9.483
  225    HZ1  LYS  27          1HZ       LYS  27   3.683  -1.760   7.630
  226    HZ2  LYS  27          2HZ       LYS  27   3.020  -2.003   9.167
  227    HZ3  LYS  27          3HZ       LYS  27   3.244  -3.318   8.126
  228    H    GLU  28           H        GLU  28   7.843   1.034   9.099
  229    HA   GLU  28           HA       GLU  28  10.173   2.005  10.221
  230    HB2  GLU  28          1HB       GLU  28   7.410   1.819  10.969
  231    HB3  GLU  28          2HB       GLU  28   8.412   1.440  12.364
  232    HG2  GLU  28          1HG       GLU  28   9.130   3.826  10.760
  233    HG3  GLU  28          2HG       GLU  28   7.690   3.913  11.771
  234    H    ILE  29           H        ILE  29   8.620  -1.118  10.670
  235    HA   ILE  29           HA       ILE  29  10.899  -1.951  12.342
  236    HB   ILE  29           HB       ILE  29   8.133  -3.160  12.283
  237   HG12  ILE  29          1HG1      ILE  29   8.717  -2.161  14.836
  238   HG13  ILE  29          2HG1      ILE  29   9.227  -0.898  13.723
  239   HG21  ILE  29          1HG2      ILE  29   9.449  -4.920  12.925
  240   HG22  ILE  29          2HG2      ILE  29  10.673  -3.882  13.654
  241   HG23  ILE  29          3HG2      ILE  29   9.144  -4.163  14.489
  242   HD11  ILE  29          1HD1      ILE  29   7.131  -0.277  13.403
  243   HD12  ILE  29          2HD1      ILE  29   6.666  -1.914  12.943
  244   HD13  ILE  29          3HD1      ILE  29   6.644  -1.435  14.640
  245    HXT  ILE  29           HXT      ILE  29  11.409  -4.155  12.004
  Start of MODEL    4
    1    H1   TYR   1          1H        TYR   1  -0.184   3.607  -3.034
    2    H2   TYR   1          2H        TYR   1  -0.637   5.111  -3.333
    3    H3   TYR   1          3H        TYR   1   0.892   4.599  -3.677
    4    HA   TYR   1           HA       TYR   1   0.446   6.173  -1.803
    5    HB2  TYR   1          1HB       TYR   1  -0.754   3.673  -0.926
    6    HB3  TYR   1          2HB       TYR   1   0.495   4.225   0.187
    7    HD1  TYR   1           HD1      TYR   1  -2.810   4.904  -1.204
    8    HD2  TYR   1           HD2      TYR   1   0.245   6.348   1.380
    9    HE1  TYR   1           HE1      TYR   1  -4.404   6.500  -0.220
   10    HE2  TYR   1           HE2      TYR   1  -1.338   7.947   2.371
   11    HH   TYR   1           HH       TYR   1  -4.373   8.622   0.989
   12    H    CYS   2           H        CYS   2   1.745   2.865  -1.464
   13    HA   CYS   2           HA       CYS   2   4.220   3.720  -0.401
   14    HB2  CYS   2          1HB       CYS   2   3.691   1.104  -1.817
   15    HB3  CYS   2          2HB       CYS   2   4.917   1.432  -0.594
   16    H    GLN   3           H        GLN   3   6.219   2.479  -1.718
   17    HA   GLN   3           HA       GLN   3   6.220   3.638  -4.420
   18    HB2  GLN   3          1HB       GLN   3   8.282   4.692  -4.119
   19    HB3  GLN   3          2HB       GLN   3   7.436   5.018  -2.611
   20    HG2  GLN   3          1HG       GLN   3   9.735   3.196  -3.140
   21    HG3  GLN   3          2HG       GLN   3   9.532   4.416  -1.884
   22   HE21  GLN   3          1HE2      GLN   3   7.228   3.794  -0.703
   23   HE22  GLN   3          2HE2      GLN   3   7.287   2.213  -0.006
   24    H    LYS   4           H        LYS   4   5.651   1.097  -4.325
   25    HA   LYS   4           HA       LYS   4   6.278  -0.878  -5.290
   26    HB2  LYS   4          1HB       LYS   4   7.973   0.720  -6.487
   27    HB3  LYS   4          2HB       LYS   4   9.146  -0.017  -5.404
   28    HG2  LYS   4          1HG       LYS   4   9.332  -1.342  -7.269
   29    HG3  LYS   4          2HG       LYS   4   8.168  -2.254  -6.304
   30    HD2  LYS   4          1HD       LYS   4   6.339  -1.420  -7.598
   31    HD3  LYS   4          2HD       LYS   4   7.385  -0.273  -8.439
   32    HE2  LYS   4          1HE       LYS   4   6.871  -2.212  -9.838
   33    HE3  LYS   4          2HE       LYS   4   8.593  -2.120  -9.474
   34    HZ1  LYS   4          1HZ       LYS   4   7.007  -4.300  -9.132
   35    HZ2  LYS   4          2HZ       LYS   4   7.136  -3.679  -7.564
   36    HZ3  LYS   4          3HZ       LYS   4   8.532  -4.070  -8.437
   37    H    TRP   5           H        TRP   5   7.619   0.444  -2.497
   38    HA   TRP   5           HA       TRP   5   8.283  -0.482  -0.528
   39    HB2  TRP   5          1HB       TRP   5   6.451  -2.146  -1.099
   40    HB3  TRP   5          2HB       TRP   5   7.717  -3.190  -1.737
   41    HD1  TRP   5           HD1      TRP   5   7.444  -1.211   1.605
   42    HE1  TRP   5           HE1      TRP   5   7.987  -2.838   3.524
   43    HE3  TRP   5           HE3      TRP   5   8.194  -5.468  -1.127
   44    HZ2  TRP   5           HZ2      TRP   5   8.645  -5.566   3.837
   45    HZ3  TRP   5           HZ3      TRP   5   8.777  -7.543   0.060
   46    HH2  TRP   5           HH2      TRP   5   8.998  -7.587   2.491
   47    H    NLE   6           H        NLE   6  10.191  -0.793   0.244
   48    HA   NLE   6           HA       NLE   6  12.588  -1.138   0.327
   49    HB2  NLE   6          1HB       NLE   6  11.957  -3.497   0.123
   50    HB3  NLE   6          2HB       NLE   6  11.865  -3.389  -1.633
   51    HG2  NLE   6          1HG       NLE   6  14.024  -4.443  -0.708
   52    HG3  NLE   6          2HG       NLE   6  14.302  -3.128  -1.843
   53    HD2  NLE   6          1HD       NLE   6  15.079  -1.630  -0.159
   54    HD3  NLE   6          2HD       NLE   6  14.175  -2.427   1.135
   55    HE1  NLE   6          1HE       NLE   6  16.528  -3.563  -0.290
   56    HE2  NLE   6          2HE       NLE   6  16.501  -2.934   1.255
   57    HE3  NLE   6          3HE       NLE   6  15.670  -4.340   0.922
   58    H    TRP   7           H        TRP   7  11.026   0.425  -2.031
   59    HA   TRP   7           HA       TRP   7  13.433   0.887  -3.665
   60    HB2  TRP   7          1HB       TRP   7  11.820   0.145  -5.183
   61    HB3  TRP   7          2HB       TRP   7  10.511   0.976  -4.343
   62    HD1  TRP   7           HD1      TRP   7   9.874   3.347  -5.184
   63    HE1  TRP   7           HE1      TRP   7  10.772   4.910  -7.021
   64    HE3  TRP   7           HE3      TRP   7  14.155   0.820  -6.381
   65    HZ2  TRP   7           HZ2      TRP   7  12.999   5.054  -8.749
   66    HZ3  TRP   7           HZ3      TRP   7  15.613   1.737  -8.138
   67    HH2  TRP   7           HH2      TRP   7  15.046   3.809  -9.297
   68    H    THR   8           H        THR   8  13.851   3.079  -4.334
   69    HA   THR   8           HA       THR   8  13.452   4.951  -2.206
   70    HB   THR   8           HB       THR   8  14.802   6.490  -3.519
   71    HG1  THR   8           HG1      THR   8  15.560   5.616  -5.630
   72   HG21  THR   8          1HG2      THR   8  15.713   4.247  -2.402
   73   HG22  THR   8          2HG2      THR   8  16.771   5.372  -3.254
   74   HG23  THR   8          3HG2      THR   8  16.184   3.923  -4.070
   75    H    CYS   9           H        CYS   9  11.418   5.593  -1.994
   76    HA   CYS   9           HA       CYS   9   9.330   6.258  -3.618
   77    HB2  CYS   9          1HB       CYS   9   8.988   8.111  -1.810
   78    HB3  CYS   9          2HB       CYS   9   9.084   6.446  -1.284
   79    H    ASP  10           H        ASP  10   9.845   7.236  -5.764
   80    HA   ASP  10           HA       ASP  10   9.864   9.981  -5.856
   81    HB2  ASP  10          1HB       ASP  10  12.484   8.924  -5.246
   82    HB3  ASP  10          2HB       ASP  10  12.505   9.786  -6.781
   83    H    SER  11           H        SER  11  12.138   7.930  -7.646
   84    HA   SER  11           HA       SER  11  11.213   8.778 -10.168
   85    HB2  SER  11          1HB       SER  11  13.284   7.083  -9.152
   86    HB3  SER  11          2HB       SER  11  12.446   6.234 -10.451
   87    HG   SER  11           HG       SER  11  14.051   8.469 -10.548
   88    H    LYS  12           H        LYS  12   9.898   6.591  -7.960
   89    HA   LYS  12           HA       LYS  12   8.296   5.298 -10.069
   90    HB2  LYS  12          1HB       LYS  12   9.735   3.831  -8.571
   91    HB3  LYS  12          2HB       LYS  12   8.663   4.284  -7.251
   92    HG2  LYS  12          1HG       LYS  12   7.352   2.597  -7.821
   93    HG3  LYS  12          2HG       LYS  12   6.987   3.444  -9.326
   94    HD2  LYS  12          1HD       LYS  12   7.763   1.189  -9.792
   95    HD3  LYS  12          2HD       LYS  12   8.933   2.373 -10.383
   96    HE2  LYS  12          1HE       LYS  12   9.540   1.672  -7.669
   97    HE3  LYS  12          2HE       LYS  12   9.384   0.209  -8.640
   98    HZ1  LYS  12          1HZ       LYS  12  11.052   0.947 -10.108
   99    HZ2  LYS  12          2HZ       LYS  12  11.658   1.232  -8.557
  100    HZ3  LYS  12          3HZ       LYS  12  11.049   2.514  -9.473
  101    H    ARG  13           H        ARG  13   8.145   6.649  -6.788
  102    HA   ARG  13           HA       ARG  13   5.889   8.178  -7.126
  103    HB2  ARG  13          1HB       ARG  13   4.220   6.655  -5.859
  104    HB3  ARG  13          2HB       ARG  13   4.460   6.399  -7.583
  105    HG2  ARG  13          1HG       ARG  13   6.356   4.783  -6.314
  106    HG3  ARG  13          2HG       ARG  13   4.863   4.588  -5.394
  107    HD2  ARG  13          1HD       ARG  13   4.587   4.549  -8.329
  108    HD3  ARG  13          2HD       ARG  13   5.455   3.187  -7.620
  109    HE   ARG  13           HE       ARG  13   3.177   3.461  -6.114
  110   HH11  ARG  13          1HH1      ARG  13   3.914   2.922  -9.473
  111   HH12  ARG  13          2HH1      ARG  13   2.469   2.017  -9.780
  112   HH21  ARG  13          1HH2      ARG  13   1.270   2.271  -6.506
  113   HH22  ARG  13          2HH2      ARG  13   0.965   1.648  -8.091
  114    H    ALA  14           H        ALA  14   4.595   8.261  -4.828
  115    HA   ALA  14           HA       ALA  14   6.602   9.086  -2.958
  116    HB1  ALA  14          1HB       ALA  14   3.985   9.792  -3.445
  117    HB2  ALA  14          2HB       ALA  14   3.897   8.946  -1.899
  118    HB3  ALA  14          3HB       ALA  14   4.971  10.332  -2.086
  119    H    CYS  15           H        CYS  15   6.068   8.599  -0.588
  120    HA   CYS  15           HA       CYS  15   6.248   5.712  -0.370
  121    HB2  CYS  15          1HB       CYS  15   7.812   7.824   0.726
  122    HB3  CYS  15          2HB       CYS  15   6.925   7.103   2.123
  123    H    CYS  16           H        CYS  16   5.558   4.523   1.615
  124    HA   CYS  16           HA       CYS  16   2.698   4.981   1.539
  125    HB2  CYS  16          1HB       CYS  16   4.391   2.740   1.960
  126    HB3  CYS  16          2HB       CYS  16   3.425   2.950   3.418
  127    H    GLU  17           H        GLU  17   1.601   4.492   3.869
  128    HA   GLU  17           HA       GLU  17   2.344   6.778   5.537
  129    HB2  GLU  17          1HB       GLU  17  -0.014   6.148   5.089
  130    HB3  GLU  17          2HB       GLU  17   0.234   4.617   5.929
  131    HG2  GLU  17          1HG       GLU  17  -0.883   6.161   7.410
  132    HG3  GLU  17          2HG       GLU  17   0.737   5.868   8.032
  133    H    GLY  18           H        GLY  18   4.004   6.625   6.894
  134    HA2  GLY  18          1HA       GLY  18   4.820   5.866   9.032
  135    HA3  GLY  18          2HA       GLY  18   4.321   4.238   8.595
  136    H    LEU  19           H        LEU  19   5.454   4.567   5.861
  137    HA   LEU  19           HA       LEU  19   7.928   3.371   6.260
  138    HB2  LEU  19          1HB       LEU  19   6.391   4.371   4.028
  139    HB3  LEU  19          2HB       LEU  19   8.113   4.657   3.794
  140    HG   LEU  19           HG       LEU  19   8.587   2.313   3.941
  141   HD11  LEU  19          1HD1      LEU  19   6.823   0.651   4.287
  142   HD12  LEU  19          2HD1      LEU  19   5.660   1.946   4.564
  143   HD13  LEU  19          3HD1      LEU  19   7.002   1.712   5.684
  144   HD21  LEU  19          1HD2      LEU  19   7.177   3.478   1.904
  145   HD22  LEU  19          2HD2      LEU  19   6.230   2.029   2.242
  146   HD23  LEU  19          3HD2      LEU  19   7.944   1.892   1.843
  147    H    ARG  20           H        ARG  20   9.967   4.406   5.062
  148    HA   ARG  20           HA       ARG  20  10.348   7.132   6.100
  149    HB2  ARG  20          1HB       ARG  20  12.744   6.358   6.620
  150    HB3  ARG  20          2HB       ARG  20  11.464   5.860   7.718
  151    HG2  ARG  20          1HG       ARG  20  11.420   3.662   6.786
  152    HG3  ARG  20          2HG       ARG  20  12.525   4.138   5.493
  153    HD2  ARG  20          1HD       ARG  20  14.340   4.338   6.973
  154    HD3  ARG  20          2HD       ARG  20  13.290   4.339   8.388
  155    HE   ARG  20           HE       ARG  20  12.952   1.906   7.059
  156   HH11  ARG  20          1HH1      ARG  20  15.413   3.637   8.813
  157   HH12  ARG  20          2HH1      ARG  20  16.202   2.201   9.379
  158   HH21  ARG  20          1HH2      ARG  20  13.981   0.010   7.798
  159   HH22  ARG  20          2HH2      ARG  20  15.387   0.140   8.801
  160    H    CYS  21           H        CYS  21  10.307   8.187   4.245
  161    HA   CYS  21           HA       CYS  21  11.611   7.278   1.841
  162    HB2  CYS  21          1HB       CYS  21   9.560   8.773   2.073
  163    HB3  CYS  21          2HB       CYS  21  10.651  10.090   2.491
  164    H    LYS  22           H        LYS  22  13.091   9.315   0.837
  165    HA   LYS  22           HA       LYS  22  15.229  10.089   0.734
  166    HB2  LYS  22          1HB       LYS  22  14.439  10.805   3.196
  167    HB3  LYS  22          2HB       LYS  22  15.731   9.697   3.638
  168    HG2  LYS  22          1HG       LYS  22  17.355  11.076   2.898
  169    HG3  LYS  22          2HG       LYS  22  16.382  11.683   1.556
  170    HD2  LYS  22          1HD       LYS  22  15.366  13.298   2.849
  171    HD3  LYS  22          2HD       LYS  22  15.615  12.403   4.349
  172    HE2  LYS  22          1HE       LYS  22  18.177  12.875   3.544
  173    HE3  LYS  22          2HE       LYS  22  17.353  14.330   2.985
  174    HZ1  LYS  22          1HZ       LYS  22  18.305  14.109   5.421
  175    HZ2  LYS  22          2HZ       LYS  22  16.784  13.428   5.702
  176    HZ3  LYS  22          3HZ       LYS  22  16.906  14.999   5.088
  177    H    LEU  23           H        LEU  23  16.727   8.854  -0.169
  178    HA   LEU  23           HA       LEU  23  18.395   7.308  -0.393
  179    HB2  LEU  23          1HB       LEU  23  18.339   7.688   2.296
  180    HB3  LEU  23          2HB       LEU  23  17.961   5.970   2.187
  181    HG   LEU  23           HG       LEU  23  20.380   7.193   0.876
  182   HD11  LEU  23          1HD1      LEU  23  20.072   7.310   3.523
  183   HD12  LEU  23          2HD1      LEU  23  21.626   6.983   2.756
  184   HD13  LEU  23          3HD1      LEU  23  20.655   5.652   3.386
  185   HD21  LEU  23          1HD2      LEU  23  20.946   5.099   0.285
  186   HD22  LEU  23          2HD2      LEU  23  19.224   4.773   0.481
  187   HD23  LEU  23          3HD2      LEU  23  20.348   4.400   1.790
  188    H    TRP  24           H        TRP  24  15.585   6.065   1.395
  189    HA   TRP  24           HA       TRP  24  14.695   4.396  -0.659
  190    HB2  TRP  24          1HB       TRP  24  15.614   2.340  -0.311
  191    HB3  TRP  24          2HB       TRP  24  16.954   3.304   0.302
  192    HD1  TRP  24           HD1      TRP  24  14.005   1.167   1.547
  193    HE1  TRP  24           HE1      TRP  24  14.511   0.418   3.957
  194    HE3  TRP  24           HE3      TRP  24  18.281   3.851   2.353
  195    HZ2  TRP  24           HZ2      TRP  24  16.461   0.901   5.939
  196    HZ3  TRP  24           HZ3      TRP  24  19.405   3.653   4.533
  197    HH2  TRP  24           HH2      TRP  24  18.512   2.205   6.288
  198    H    CYS  25           H        CYS  25  12.766   3.301  -0.165
  199    HA   CYS  25           HA       CYS  25  11.735   4.088   2.510
  200    HB2  CYS  25          1HB       CYS  25  10.972   4.912   0.010
  201    HB3  CYS  25          2HB       CYS  25   9.826   3.635   0.444
  202    H    ARG  26           H        ARG  26  10.660   2.812   3.795
  203    HA   ARG  26           HA       ARG  26   9.936   0.181   3.208
  204    HB2  ARG  26          1HB       ARG  26  12.728   0.487   3.326
  205    HB3  ARG  26          2HB       ARG  26  12.268  -0.272   4.842
  206    HG2  ARG  26          1HG       ARG  26  11.211  -1.339   2.263
  207    HG3  ARG  26          2HG       ARG  26  12.847  -1.740   2.787
  208    HD2  ARG  26          1HD       ARG  26  10.559  -2.063   4.680
  209    HD3  ARG  26          2HD       ARG  26  10.847  -3.282   3.439
  210    HE   ARG  26           HE       ARG  26  12.320  -2.924   5.833
  211   HH11  ARG  26          1HH1      ARG  26  12.676  -3.786   2.478
  212   HH12  ARG  26          2HH1      ARG  26  14.085  -4.760   2.743
  213   HH21  ARG  26          1HH2      ARG  26  14.175  -4.203   6.194
  214   HH22  ARG  26          2HH2      ARG  26  14.936  -4.997   4.857
  215    H    LYS  27           H        LYS  27   9.061  -0.886   4.989
  216    HA   LYS  27           HA       LYS  27   7.997   0.629   7.025
  217    HB2  LYS  27          1HB       LYS  27   8.218  -2.205   6.405
  218    HB3  LYS  27          2HB       LYS  27   8.214  -1.909   8.138
  219    HG2  LYS  27          1HG       LYS  27   6.160  -0.403   7.601
  220    HG3  LYS  27          2HG       LYS  27   6.090  -1.359   6.118
  221    HD2  LYS  27          1HD       LYS  27   6.178  -3.410   7.625
  222    HD3  LYS  27          2HD       LYS  27   5.860  -2.307   8.965
  223    HE2  LYS  27          1HE       LYS  27   3.700  -2.694   8.504
  224    HE3  LYS  27          2HE       LYS  27   3.945  -1.567   7.171
  225    HZ1  LYS  27          1HZ       LYS  27   3.323  -3.221   5.851
  226    HZ2  LYS  27          2HZ       LYS  27   3.407  -4.366   7.093
  227    HZ3  LYS  27          3HZ       LYS  27   4.794  -3.981   6.202
  228    H    GLU  28           H        GLU  28   8.424   0.765   9.287
  229    HA   GLU  28           HA       GLU  28  11.273   0.881   9.867
  230    HB2  GLU  28          1HB       GLU  28   9.630   2.751  10.400
  231    HB3  GLU  28          2HB       GLU  28   9.017   1.717  11.683
  232    HG2  GLU  28          1HG       GLU  28  11.654   1.651  12.231
  233    HG3  GLU  28          2HG       GLU  28  11.511   3.261  11.525
  234    H    ILE  29           H        ILE  29  11.127  -1.605   9.731
  235    HA   ILE  29           HA       ILE  29  10.606  -2.640  12.441
  236    HB   ILE  29           HB       ILE  29  10.069  -4.808  11.498
  237   HG12  ILE  29          1HG1      ILE  29   9.693  -4.131   8.741
  238   HG13  ILE  29          2HG1      ILE  29  11.353  -3.760   9.191
  239   HG21  ILE  29          1HG2      ILE  29   8.381  -2.830  11.668
  240   HG22  ILE  29          2HG2      ILE  29   8.388  -2.923   9.907
  241   HG23  ILE  29          3HG2      ILE  29   7.906  -4.324  10.864
  242   HD11  ILE  29          1HD1      ILE  29  11.538  -6.073  10.101
  243   HD12  ILE  29          2HD1      ILE  29   9.947  -6.406   9.415
  244   HD13  ILE  29          3HD1      ILE  29  11.292  -5.981   8.356
  245    HXT  ILE  29           HXT      ILE  29  12.381  -3.476   9.655
  Start of MODEL    5
    1    H1   TYR   1          1H        TYR   1   1.328   6.770  -2.177
    2    H2   TYR   1          2H        TYR   1   0.947   6.077  -3.567
    3    H3   TYR   1          3H        TYR   1  -0.220   6.685  -2.572
    4    HA   TYR   1           HA       TYR   1   0.177   4.963  -1.019
    5    HB2  TYR   1          1HB       TYR   1  -0.543   4.178  -3.849
    6    HB3  TYR   1          2HB       TYR   1  -0.849   3.178  -2.433
    7    HD1  TYR   1           HD1      TYR   1  -2.367   5.322  -4.648
    8    HD2  TYR   1           HD2      TYR   1  -2.068   4.632  -0.460
    9    HE1  TYR   1           HE1      TYR   1  -4.518   6.469  -4.311
   10    HE2  TYR   1           HE2      TYR   1  -4.217   5.774  -0.112
   11    HH   TYR   1           HH       TYR   1  -6.082   6.553  -1.162
   12    H    CYS   2           H        CYS   2   2.385   4.718  -0.466
   13    HA   CYS   2           HA       CYS   2   4.351   3.587  -0.313
   14    HB2  CYS   2          1HB       CYS   2   3.066   1.546  -2.137
   15    HB3  CYS   2          2HB       CYS   2   4.409   1.283  -1.028
   16    H    GLN   3           H        GLN   3   6.115   2.467  -1.770
   17    HA   GLN   3           HA       GLN   3   6.195   3.783  -4.393
   18    HB2  GLN   3          1HB       GLN   3   8.431   4.566  -4.047
   19    HB3  GLN   3          2HB       GLN   3   7.454   5.121  -2.693
   20    HG2  GLN   3          1HG       GLN   3   9.414   2.842  -2.715
   21    HG3  GLN   3          2HG       GLN   3   9.557   4.375  -1.856
   22   HE21  GLN   3          1HE2      GLN   3   9.187   1.307  -1.255
   23   HE22  GLN   3          2HE2      GLN   3   8.095   1.334   0.084
   24    H    LYS   4           H        LYS   4   5.510   1.202  -4.230
   25    HA   LYS   4           HA       LYS   4   6.024  -0.768  -5.276
   26    HB2  LYS   4          1HB       LYS   4   7.902   0.933  -6.331
   27    HB3  LYS   4          2HB       LYS   4   8.905  -0.312  -5.596
   28    HG2  LYS   4          1HG       LYS   4   6.667  -1.363  -7.154
   29    HG3  LYS   4          2HG       LYS   4   7.827  -0.425  -8.095
   30    HD2  LYS   4          1HD       LYS   4   9.431  -1.988  -7.897
   31    HD3  LYS   4          2HD       LYS   4   9.046  -2.307  -6.204
   32    HE2  LYS   4          1HE       LYS   4   8.522  -4.306  -7.290
   33    HE3  LYS   4          2HE       LYS   4   6.964  -3.500  -7.109
   34    HZ1  LYS   4          1HZ       LYS   4   7.573  -4.528  -9.367
   35    HZ2  LYS   4          2HZ       LYS   4   8.543  -3.156  -9.575
   36    HZ3  LYS   4          3HZ       LYS   4   6.875  -2.987  -9.346
   37    H    TRP   5           H        TRP   5   7.645   0.496  -2.581
   38    HA   TRP   5           HA       TRP   5   8.367  -0.482  -0.653
   39    HB2  TRP   5          1HB       TRP   5   6.465  -2.116  -1.197
   40    HB3  TRP   5          2HB       TRP   5   7.718  -3.181  -1.831
   41    HD1  TRP   5           HD1      TRP   5   7.535  -1.131   1.473
   42    HE1  TRP   5           HE1      TRP   5   8.074  -2.731   3.417
   43    HE3  TRP   5           HE3      TRP   5   8.134  -5.460  -1.179
   44    HZ2  TRP   5           HZ2      TRP   5   8.675  -5.464   3.779
   45    HZ3  TRP   5           HZ3      TRP   5   8.689  -7.523   0.042
   46    HH2  TRP   5           HH2      TRP   5   8.954  -7.523   2.469
   47    H    NLE   6           H        NLE   6  10.319  -0.799  -0.026
   48    HA   NLE   6           HA       NLE   6  12.701  -1.280  -0.069
   49    HB2  NLE   6          1HB       NLE   6  11.419  -3.509  -1.439
   50    HB3  NLE   6          2HB       NLE   6  12.951  -3.156  -2.233
   51    HG2  NLE   6          1HG       NLE   6  13.196  -3.113   0.758
   52    HG3  NLE   6          2HG       NLE   6  12.573  -4.653   0.179
   53    HD2  NLE   6          1HD       NLE   6  14.729  -5.259  -0.303
   54    HD3  NLE   6          2HD       NLE   6  14.724  -4.086  -1.626
   55    HE1  NLE   6          1HE       NLE   6  15.466  -3.511   1.199
   56    HE2  NLE   6          2HE       NLE   6  16.505  -3.668  -0.096
   57    HE3  NLE   6          3HE       NLE   6  15.446  -2.382  -0.038
   58    H    TRP   7           H        TRP   7  11.004   0.409  -2.312
   59    HA   TRP   7           HA       TRP   7  13.375   1.028  -3.950
   60    HB2  TRP   7          1HB       TRP   7  11.753   0.348  -5.484
   61    HB3  TRP   7          2HB       TRP   7  10.441   1.081  -4.569
   62    HD1  TRP   7           HD1      TRP   7   9.741   3.502  -5.211
   63    HE1  TRP   7           HE1      TRP   7  10.548   5.199  -6.971
   64    HE3  TRP   7           HE3      TRP   7  14.015   1.137  -6.721
   65    HZ2  TRP   7           HZ2      TRP   7  12.709   5.495  -8.764
   66    HZ3  TRP   7           HZ3      TRP   7  15.395   2.194  -8.464
   67    HH2  TRP   7           HH2      TRP   7  14.753   4.327  -9.461
   68    H    THR   8           H        THR   8  13.818   3.234  -4.419
   69    HA   THR   8           HA       THR   8  13.326   4.981  -2.201
   70    HB   THR   8           HB       THR   8  14.702   6.611  -3.420
   71    HG1  THR   8           HG1      THR   8  14.338   6.363  -5.539
   72   HG21  THR   8          1HG2      THR   8  15.577   4.379  -2.243
   73   HG22  THR   8          2HG2      THR   8  16.668   5.541  -3.000
   74   HG23  THR   8          3HG2      THR   8  16.185   4.085  -3.870
   75    H    CYS   9           H        CYS   9  11.404   5.767  -2.010
   76    HA   CYS   9           HA       CYS   9   9.268   6.450  -3.331
   77    HB2  CYS   9          1HB       CYS   9   9.055   8.167  -1.575
   78    HB3  CYS   9          2HB       CYS   9   9.793   6.634  -1.066
   79    H    ASP  10           H        ASP  10   9.739   7.375  -5.802
   80    HA   ASP  10           HA       ASP  10   9.873  10.132  -5.799
   81    HB2  ASP  10          1HB       ASP  10  12.066  10.174  -4.945
   82    HB3  ASP  10          2HB       ASP  10  12.572   8.808  -5.937
   83    H    SER  11           H        SER  11  11.979   8.102  -7.793
   84    HA   SER  11           HA       SER  11  10.876   9.054 -10.215
   85    HB2  SER  11          1HB       SER  11  13.133   7.606  -9.483
   86    HB3  SER  11          2HB       SER  11  12.202   6.472 -10.461
   87    HG   SER  11           HG       SER  11  13.248   7.557 -11.981
   88    H    LYS  12           H        LYS  12   9.739   6.781  -8.013
   89    HA   LYS  12           HA       LYS  12   8.067   5.487 -10.065
   90    HB2  LYS  12          1HB       LYS  12   9.591   4.027  -8.659
   91    HB3  LYS  12          2HB       LYS  12   8.593   4.458  -7.275
   92    HG2  LYS  12          1HG       LYS  12   7.305   2.728  -7.779
   93    HG3  LYS  12          2HG       LYS  12   6.785   3.616  -9.215
   94    HD2  LYS  12          1HD       LYS  12   7.557   1.411  -9.846
   95    HD3  LYS  12          2HD       LYS  12   8.668   2.632 -10.470
   96    HE2  LYS  12          1HE       LYS  12  10.293   2.131  -8.850
   97    HE3  LYS  12          2HE       LYS  12   9.145   1.246  -7.848
   98    HZ1  LYS  12          1HZ       LYS  12  10.473   0.393 -10.332
   99    HZ2  LYS  12          2HZ       LYS  12   8.991  -0.292  -9.896
  100    HZ3  LYS  12          3HZ       LYS  12  10.324  -0.431  -8.863
  101    H    ARG  13           H        ARG  13   7.990   6.649  -6.697
  102    HA   ARG  13           HA       ARG  13   5.744   8.221  -6.899
  103    HB2  ARG  13          1HB       ARG  13   4.082   6.628  -5.717
  104    HB3  ARG  13          2HB       ARG  13   4.300   6.482  -7.457
  105    HG2  ARG  13          1HG       ARG  13   6.200   4.779  -6.305
  106    HG3  ARG  13          2HG       ARG  13   4.705   4.529  -5.403
  107    HD2  ARG  13          1HD       ARG  13   4.484   4.677  -8.351
  108    HD3  ARG  13          2HD       ARG  13   5.270   3.247  -7.684
  109    HE   ARG  13           HE       ARG  13   2.846   3.752  -6.323
  110   HH11  ARG  13          1HH1      ARG  13   4.081   2.584  -9.362
  111   HH12  ARG  13          2HH1      ARG  13   2.708   1.578  -9.683
  112   HH21  ARG  13          1HH2      ARG  13   1.032   2.431  -6.734
  113   HH22  ARG  13          2HH2      ARG  13   0.973   1.492  -8.187
  114    H    ALA  14           H        ALA  14   4.846   8.855  -4.800
  115    HA   ALA  14           HA       ALA  14   6.784   9.272  -2.865
  116    HB1  ALA  14          1HB       ALA  14   4.896  10.695  -2.897
  117    HB2  ALA  14          2HB       ALA  14   3.783   9.344  -2.678
  118    HB3  ALA  14          3HB       ALA  14   4.841   9.836  -1.357
  119    H    CYS  15           H        CYS  15   6.487   8.638  -0.487
  120    HA   CYS  15           HA       CYS  15   6.723   5.783  -0.212
  121    HB2  CYS  15          1HB       CYS  15   6.697   8.023   1.818
  122    HB3  CYS  15          2HB       CYS  15   6.920   6.330   2.270
  123    H    CYS  16           H        CYS  16   5.611   4.601   1.571
  124    HA   CYS  16           HA       CYS  16   2.754   5.141   1.482
  125    HB2  CYS  16          1HB       CYS  16   4.273   2.811   1.559
  126    HB3  CYS  16          2HB       CYS  16   3.572   2.915   3.171
  127    H    GLU  17           H        GLU  17   1.737   4.315   3.855
  128    HA   GLU  17           HA       GLU  17   2.460   6.501   5.695
  129    HB2  GLU  17          1HB       GLU  17   0.391   4.276   5.881
  130    HB3  GLU  17          2HB       GLU  17   0.594   5.573   7.060
  131    HG2  GLU  17          1HG       GLU  17  -0.150   5.959   4.125
  132    HG3  GLU  17          2HG       GLU  17  -1.269   5.979   5.481
  133    H    GLY  18           H        GLY  18   4.424   6.141   6.595
  134    HA2  GLY  18          1HA       GLY  18   5.234   5.268   8.776
  135    HA3  GLY  18          2HA       GLY  18   4.809   3.673   8.172
  136    H    LEU  19           H        LEU  19   5.804   3.956   5.542
  137    HA   LEU  19           HA       LEU  19   8.398   3.075   5.791
  138    HB2  LEU  19          1HB       LEU  19   6.766   4.171   3.585
  139    HB3  LEU  19          2HB       LEU  19   8.510   4.148   3.329
  140    HG   LEU  19           HG       LEU  19   8.586   1.892   3.119
  141   HD11  LEU  19          1HD1      LEU  19   6.344   1.829   5.114
  142   HD12  LEU  19          2HD1      LEU  19   7.988   1.212   5.277
  143   HD13  LEU  19          3HD1      LEU  19   6.841   0.391   4.221
  144   HD21  LEU  19          1HD2      LEU  19   5.661   1.861   2.620
  145   HD22  LEU  19          2HD2      LEU  19   6.989   1.258   1.628
  146   HD23  LEU  19          3HD2      LEU  19   6.644   2.985   1.680
  147    H    ARG  20           H        ARG  20  10.406   4.116   4.943
  148    HA   ARG  20           HA       ARG  20  10.542   6.923   5.831
  149    HB2  ARG  20          1HB       ARG  20  12.951   6.427   6.338
  150    HB3  ARG  20          2HB       ARG  20  11.797   5.567   7.347
  151    HG2  ARG  20          1HG       ARG  20  12.334   3.930   5.110
  152    HG3  ARG  20          2HG       ARG  20  13.880   4.520   5.721
  153    HD2  ARG  20          1HD       ARG  20  12.774   3.874   8.043
  154    HD3  ARG  20          2HD       ARG  20  11.856   2.773   7.017
  155    HE   ARG  20           HE       ARG  20  13.739   1.502   6.762
  156   HH11  ARG  20          1HH1      ARG  20  14.639   4.632   7.988
  157   HH12  ARG  20          2HH1      ARG  20  16.294   4.195   8.262
  158   HH21  ARG  20          1HH2      ARG  20  15.915   0.914   7.114
  159   HH22  ARG  20          2HH2      ARG  20  17.019   2.079   7.763
  160    H    CYS  21           H        CYS  21  10.568   8.189   4.152
  161    HA   CYS  21           HA       CYS  21  11.383   7.452   1.533
  162    HB2  CYS  21          1HB       CYS  21   9.810   9.341   2.365
  163    HB3  CYS  21          2HB       CYS  21  11.260  10.294   2.550
  164    H    LYS  22           H        LYS  22  12.949   9.531   0.633
  165    HA   LYS  22           HA       LYS  22  15.075  10.369   0.542
  166    HB2  LYS  22          1HB       LYS  22  15.653   9.058   3.194
  167    HB3  LYS  22          2HB       LYS  22  16.456  10.445   2.471
  168    HG2  LYS  22          1HG       LYS  22  13.984  11.436   2.634
  169    HG3  LYS  22          2HG       LYS  22  13.918  10.289   3.973
  170    HD2  LYS  22          1HD       LYS  22  16.191  11.347   4.652
  171    HD3  LYS  22          2HD       LYS  22  15.688  12.676   3.607
  172    HE2  LYS  22          1HE       LYS  22  13.543  12.749   4.921
  173    HE3  LYS  22          2HE       LYS  22  14.281  11.614   6.048
  174    HZ1  LYS  22          1HZ       LYS  22  16.169  13.418   6.028
  175    HZ2  LYS  22          2HZ       LYS  22  14.821  13.573   7.039
  176    HZ3  LYS  22          3HZ       LYS  22  14.893  14.438   5.586
  177    H    LEU  23           H        LEU  23  17.121   8.563   2.172
  178    HA   LEU  23           HA       LEU  23  18.477   7.350   0.239
  179    HB2  LEU  23          1HB       LEU  23  17.833   5.884   2.788
  180    HB3  LEU  23          2HB       LEU  23  19.278   5.715   1.793
  181    HG   LEU  23           HG       LEU  23  19.034   8.434   2.652
  182   HD11  LEU  23          1HD1      LEU  23  19.254   6.556   4.973
  183   HD12  LEU  23          2HD1      LEU  23  17.694   7.205   4.472
  184   HD13  LEU  23          3HD1      LEU  23  18.984   8.299   4.971
  185   HD21  LEU  23          1HD2      LEU  23  21.258   8.108   3.375
  186   HD22  LEU  23          2HD2      LEU  23  21.064   7.099   1.940
  187   HD23  LEU  23          3HD2      LEU  23  21.028   6.368   3.545
  188    H    TRP  24           H        TRP  24  15.695   5.806   1.833
  189    HA   TRP  24           HA       TRP  24  14.654   4.675  -0.500
  190    HB2  TRP  24          1HB       TRP  24  15.451   2.518  -0.615
  191    HB3  TRP  24          2HB       TRP  24  16.896   3.349  -0.044
  192    HD1  TRP  24           HD1      TRP  24  14.233   0.863   1.073
  193    HE1  TRP  24           HE1      TRP  24  14.980  -0.215   3.288
  194    HE3  TRP  24           HE3      TRP  24  18.294   3.800   2.077
  195    HZ2  TRP  24           HZ2      TRP  24  17.019   0.134   5.206
  196    HZ3  TRP  24           HZ3      TRP  24  19.590   3.363   4.125
  197    HH2  TRP  24           HH2      TRP  24  18.963   1.567   5.655
  198    H    CYS  25           H        CYS  25  12.662   3.648  -0.154
  199    HA   CYS  25           HA       CYS  25  11.621   3.963   2.593
  200    HB2  CYS  25          1HB       CYS  25  10.529   4.489  -0.021
  201    HB3  CYS  25          2HB       CYS  25   9.471   3.467   1.005
  202    H    ARG  26           H        ARG  26  10.790   2.506   3.863
  203    HA   ARG  26           HA       ARG  26  10.551  -0.226   3.190
  204    HB2  ARG  26          1HB       ARG  26  13.200   0.619   3.735
  205    HB3  ARG  26          2HB       ARG  26  12.660  -0.309   5.128
  206    HG2  ARG  26          1HG       ARG  26  12.672  -1.231   2.263
  207    HG3  ARG  26          2HG       ARG  26  13.769  -1.751   3.543
  208    HD2  ARG  26          1HD       ARG  26  10.786  -2.192   3.453
  209    HD3  ARG  26          2HD       ARG  26  12.031  -3.410   3.177
  210    HE   ARG  26           HE       ARG  26  11.080  -2.473   5.699
  211   HH11  ARG  26          1HH1      ARG  26  13.868  -3.734   4.039
  212   HH12  ARG  26          2HH1      ARG  26  14.587  -4.393   5.472
  213   HH21  ARG  26          1HH2      ARG  26  12.014  -3.337   7.592
  214   HH22  ARG  26          2HH2      ARG  26  13.529  -4.168   7.492
  215    H    LYS  27           H        LYS  27   9.675  -1.456   4.870
  216    HA   LYS  27           HA       LYS  27   8.105  -0.137   6.731
  217    HB2  LYS  27          1HB       LYS  27   8.644  -2.838   6.002
  218    HB3  LYS  27          2HB       LYS  27   8.710  -2.729   7.757
  219    HG2  LYS  27          1HG       LYS  27   6.470  -1.497   7.570
  220    HG3  LYS  27          2HG       LYS  27   6.417  -2.135   5.925
  221    HD2  LYS  27          1HD       LYS  27   6.933  -4.410   7.091
  222    HD3  LYS  27          2HD       LYS  27   6.325  -3.594   8.533
  223    HE2  LYS  27          1HE       LYS  27   4.377  -4.490   7.746
  224    HE3  LYS  27          2HE       LYS  27   4.352  -2.938   6.909
  225    HZ1  LYS  27          1HZ       LYS  27   4.713  -3.900   4.919
  226    HZ2  LYS  27          2HZ       LYS  27   4.024  -5.250   5.670
  227    HZ3  LYS  27          3HZ       LYS  27   5.704  -5.122   5.543
  228    H    GLU  28           H        GLU  28   8.252   0.239   8.941
  229    HA   GLU  28           HA       GLU  28  10.997   0.249   9.994
  230    HB2  GLU  28          1HB       GLU  28   9.423   2.376   9.748
  231    HB3  GLU  28          2HB       GLU  28   8.805   1.802  11.292
  232    HG2  GLU  28          1HG       GLU  28  11.593   1.727  11.512
  233    HG3  GLU  28          2HG       GLU  28  11.211   3.250  10.711
  234    H    ILE  29           H        ILE  29  11.287  -0.181  12.287
  235    HA   ILE  29           HA       ILE  29   9.348  -2.169  13.267
  236    HB   ILE  29           HB       ILE  29  11.217  -3.126  14.575
  237   HG12  ILE  29          1HG1      ILE  29  13.256  -1.733  12.957
  238   HG13  ILE  29          2HG1      ILE  29  12.468  -0.745  14.182
  239   HG21  ILE  29          1HG2      ILE  29  10.619  -4.043  12.388
  240   HG22  ILE  29          2HG2      ILE  29  11.757  -2.940  11.614
  241   HG23  ILE  29          3HG2      ILE  29  12.347  -4.197  12.702
  242   HD11  ILE  29          1HD1      ILE  29  13.052  -3.004  15.581
  243   HD12  ILE  29          2HD1      ILE  29  14.415  -2.898  14.467
  244   HD13  ILE  29          3HD1      ILE  29  14.043  -1.547  15.536
  245    HXT  ILE  29           HXT      ILE  29   9.923   0.759  13.786
  Start of MODEL    6
    1    H1   TYR   1          1H        TYR   1   0.109   6.867  -3.066
    2    H2   TYR   1          2H        TYR   1   0.979   6.984  -1.728
    3    H3   TYR   1          3H        TYR   1   1.607   6.308  -3.096
    4    HA   TYR   1           HA       TYR   1   0.230   5.167  -0.963
    5    HB2  TYR   1          1HB       TYR   1  -0.860   4.991  -3.687
    6    HB3  TYR   1          2HB       TYR   1  -0.564   3.431  -2.927
    7    HD1  TYR   1           HD1      TYR   1  -1.712   6.650  -1.435
    8    HD2  TYR   1           HD2      TYR   1  -2.653   2.601  -2.338
    9    HE1  TYR   1           HE1      TYR   1  -3.818   6.867  -0.182
   10    HE2  TYR   1           HE2      TYR   1  -4.763   2.807  -1.092
   11    HH   TYR   1           HH       TYR   1  -6.329   5.037  -0.480
   12    H    CYS   2           H        CYS   2   2.477   4.872  -0.480
   13    HA   CYS   2           HA       CYS   2   4.371   3.620  -0.347
   14    HB2  CYS   2          1HB       CYS   2   2.986   1.644  -2.165
   15    HB3  CYS   2          2HB       CYS   2   4.296   1.321  -1.034
   16    H    GLN   3           H        GLN   3   6.150   2.602  -1.723
   17    HA   GLN   3           HA       GLN   3   6.203   3.782  -4.414
   18    HB2  GLN   3          1HB       GLN   3   8.293   4.774  -4.104
   19    HB3  GLN   3          2HB       GLN   3   7.453   5.122  -2.599
   20    HG2  GLN   3          1HG       GLN   3   9.704   3.246  -3.122
   21    HG3  GLN   3          2HG       GLN   3   9.517   4.456  -1.853
   22   HE21  GLN   3          1HE2      GLN   3   7.191   3.873  -0.698
   23   HE22  GLN   3          2HE2      GLN   3   7.207   2.282  -0.022
   24    H    LYS   4           H        LYS   4   5.558   1.261  -4.332
   25    HA   LYS   4           HA       LYS   4   6.132  -0.729  -5.302
   26    HB2  LYS   4          1HB       LYS   4   7.926   0.851  -6.430
   27    HB3  LYS   4          2HB       LYS   4   9.034  -0.022  -5.382
   28    HG2  LYS   4          1HG       LYS   4   7.678  -2.085  -6.460
   29    HG3  LYS   4          2HG       LYS   4   7.595  -0.921  -7.783
   30    HD2  LYS   4          1HD       LYS   4  10.122  -0.628  -7.407
   31    HD3  LYS   4          2HD       LYS   4  10.017  -2.132  -6.488
   32    HE2  LYS   4          1HE       LYS   4   8.619  -2.581  -8.880
   33    HE3  LYS   4          2HE       LYS   4  10.095  -1.730  -9.335
   34    HZ1  LYS   4          1HZ       LYS   4  10.604  -4.013  -9.353
   35    HZ2  LYS   4          2HZ       LYS   4   9.858  -4.289  -7.860
   36    HZ3  LYS   4          3HZ       LYS   4  11.303  -3.410  -7.934
   37    H    TRP   5           H        TRP   5   7.489   0.540  -2.490
   38    HA   TRP   5           HA       TRP   5   8.100  -0.415  -0.515
   39    HB2  TRP   5          1HB       TRP   5   6.216  -2.007  -1.090
   40    HB3  TRP   5          2HB       TRP   5   7.439  -3.089  -1.754
   41    HD1  TRP   5           HD1      TRP   5   7.309  -1.149   1.616
   42    HE1  TRP   5           HE1      TRP   5   7.785  -2.830   3.506
   43    HE3  TRP   5           HE3      TRP   5   7.772  -5.404  -1.180
   44    HZ2  TRP   5           HZ2      TRP   5   8.290  -5.593   3.776
   45    HZ3  TRP   5           HZ3      TRP   5   8.253  -7.525  -0.028
   46    HH2  TRP   5           HH2      TRP   5   8.505  -7.616   2.398
   47    H    NLE   6           H        NLE   6   9.988  -0.791   0.275
   48    HA   NLE   6           HA       NLE   6  12.372  -1.211   0.378
   49    HB2  NLE   6          1HB       NLE   6  11.654  -3.550   0.175
   50    HB3  NLE   6          2HB       NLE   6  11.600  -3.444  -1.583
   51    HG2  NLE   6          1HG       NLE   6  14.256  -2.678  -0.310
   52    HG3  NLE   6          2HG       NLE   6  13.794  -4.366  -0.117
   53    HD2  NLE   6          1HD       NLE   6  14.044  -4.856  -2.395
   54    HD3  NLE   6          2HD       NLE   6  13.457  -3.274  -2.927
   55    HE1  NLE   6          1HE       NLE   6  16.114  -3.816  -1.700
   56    HE2  NLE   6          2HE       NLE   6  15.798  -3.511  -3.309
   57    HE3  NLE   6          3HE       NLE   6  15.566  -2.305  -2.181
   58    H    TRP   7           H        TRP   7  10.890   0.403  -1.991
   59    HA   TRP   7           HA       TRP   7  13.324   0.771  -3.610
   60    HB2  TRP   7          1HB       TRP   7  11.690   0.076  -5.131
   61    HB3  TRP   7          2HB       TRP   7  10.411   0.970  -4.313
   62    HD1  TRP   7           HD1      TRP   7   9.875   3.344  -5.203
   63    HE1  TRP   7           HE1      TRP   7  10.864   4.853  -7.039
   64    HE3  TRP   7           HE3      TRP   7  14.084   0.652  -6.287
   65    HZ2  TRP   7           HZ2      TRP   7  13.127   4.896  -8.723
   66    HZ3  TRP   7           HZ3      TRP   7  15.608   1.496  -8.025
   67    HH2  TRP   7           HH2      TRP   7  15.138   3.574  -9.217
   68    H    THR   8           H        THR   8  13.826   2.942  -4.281
   69    HA   THR   8           HA       THR   8  13.465   4.837  -2.162
   70    HB   THR   8           HB       THR   8  14.889   6.322  -3.464
   71    HG1  THR   8           HG1      THR   8  15.492   5.792  -5.560
   72   HG21  THR   8          1HG2      THR   8  15.692   4.038  -2.319
   73   HG22  THR   8          2HG2      THR   8  16.806   5.144  -3.124
   74   HG23  THR   8          3HG2      THR   8  16.209   3.718  -3.974
   75    H    CYS   9           H        CYS   9  11.586   5.733  -1.940
   76    HA   CYS   9           HA       CYS   9   9.462   6.328  -3.470
   77    HB2  CYS   9          1HB       CYS   9   9.151   8.214  -1.756
   78    HB3  CYS   9          2HB       CYS   9   9.421   6.597  -1.147
   79    H    ASP  10           H        ASP  10   9.988   7.185  -5.802
   80    HA   ASP  10           HA       ASP  10  10.141   9.937  -5.924
   81    HB2  ASP  10          1HB       ASP  10  12.298  10.045  -5.017
   82    HB3  ASP  10          2HB       ASP  10  12.831   8.601  -5.874
   83    H    SER  11           H        SER  11  12.256   7.732  -7.727
   84    HA   SER  11           HA       SER  11  11.335   8.606 -10.242
   85    HB2  SER  11          1HB       SER  11  13.367   6.892  -9.267
   86    HB3  SER  11          2HB       SER  11  12.424   5.954 -10.426
   87    HG   SER  11           HG       SER  11  12.787   7.567 -11.960
   88    H    LYS  12           H        LYS  12   9.945   6.514  -7.986
   89    HA   LYS  12           HA       LYS  12   8.225   5.302 -10.049
   90    HB2  LYS  12          1HB       LYS  12   9.039   4.312  -7.321
   91    HB3  LYS  12          2HB       LYS  12   7.689   3.621  -8.209
   92    HG2  LYS  12          1HG       LYS  12  10.299   3.824  -9.601
   93    HG3  LYS  12          2HG       LYS  12  10.123   2.605  -8.337
   94    HD2  LYS  12          1HD       LYS  12   8.106   2.896 -10.544
   95    HD3  LYS  12          2HD       LYS  12   9.565   1.921 -10.745
   96    HE2  LYS  12          1HE       LYS  12   8.927   0.587  -8.787
   97    HE3  LYS  12          2HE       LYS  12   7.468   1.557  -8.605
   98    HZ1  LYS  12          1HZ       LYS  12   8.126  -0.093 -10.985
   99    HZ2  LYS  12          2HZ       LYS  12   6.698   0.780 -10.737
  100    HZ3  LYS  12          3HZ       LYS  12   7.059  -0.549  -9.755
  101    H    ARG  13           H        ARG  13   8.193   6.566  -6.721
  102    HA   ARG  13           HA       ARG  13   6.025   8.255  -7.033
  103    HB2  ARG  13          1HB       ARG  13   4.344   6.779  -5.673
  104    HB3  ARG  13          2HB       ARG  13   4.459   6.603  -7.418
  105    HG2  ARG  13          1HG       ARG  13   6.341   4.852  -6.175
  106    HG3  ARG  13          2HG       ARG  13   4.749   4.619  -5.449
  107    HD2  ARG  13          1HD       ARG  13   4.474   4.873  -8.285
  108    HD3  ARG  13          2HD       ARG  13   5.696   3.654  -7.924
  109    HE   ARG  13           HE       ARG  13   3.519   3.147  -6.275
  110   HH11  ARG  13          1HH1      ARG  13   4.243   3.195  -9.680
  111   HH12  ARG  13          2HH1      ARG  13   3.072   1.982 -10.078
  112   HH21  ARG  13          1HH2      ARG  13   1.975   1.550  -6.788
  113   HH22  ARG  13          2HH2      ARG  13   1.781   1.048  -8.432
  114    H    ALA  14           H        ALA  14   4.801   8.426  -4.708
  115    HA   ALA  14           HA       ALA  14   6.909   9.114  -2.885
  116    HB1  ALA  14          1HB       ALA  14   4.471  10.159  -3.344
  117    HB2  ALA  14          2HB       ALA  14   4.126   9.181  -1.918
  118    HB3  ALA  14          3HB       ALA  14   5.383  10.417  -1.858
  119    H    CYS  15           H        CYS  15   6.598   8.541  -0.492
  120    HA   CYS  15           HA       CYS  15   6.710   5.675  -0.277
  121    HB2  CYS  15          1HB       CYS  15   7.502   7.975   1.338
  122    HB3  CYS  15          2HB       CYS  15   6.812   6.676   2.305
  123    H    CYS  16           H        CYS  16   5.587   4.587   1.609
  124    HA   CYS  16           HA       CYS  16   2.745   5.177   1.412
  125    HB2  CYS  16          1HB       CYS  16   4.196   2.821   1.513
  126    HB3  CYS  16          2HB       CYS  16   3.497   2.932   3.126
  127    H    GLU  17           H        GLU  17   1.654   4.330   3.740
  128    HA   GLU  17           HA       GLU  17   2.266   6.535   5.585
  129    HB2  GLU  17          1HB       GLU  17   0.202   4.299   5.693
  130    HB3  GLU  17          2HB       GLU  17   0.388   5.568   6.902
  131    HG2  GLU  17          1HG       GLU  17  -1.398   6.230   5.477
  132    HG3  GLU  17          2HG       GLU  17  -0.037   7.300   5.162
  133    H    GLY  18           H        GLY  18   3.708   6.384   7.164
  134    HA2  GLY  18          1HA       GLY  18   4.639   5.477   9.137
  135    HA3  GLY  18          2HA       GLY  18   4.156   3.875   8.599
  136    H    LEU  19           H        LEU  19   5.294   4.352   5.902
  137    HA   LEU  19           HA       LEU  19   7.790   3.179   6.260
  138    HB2  LEU  19          1HB       LEU  19   6.258   4.293   4.054
  139    HB3  LEU  19          2HB       LEU  19   7.997   4.496   3.841
  140    HG   LEU  19           HG       LEU  19   8.354   2.138   3.902
  141   HD11  LEU  19          1HD1      LEU  19   6.563   0.535   4.270
  142   HD12  LEU  19          2HD1      LEU  19   5.422   1.852   4.543
  143   HD13  LEU  19          3HD1      LEU  19   6.755   1.592   5.668
  144   HD21  LEU  19          1HD2      LEU  19   5.909   2.121   2.250
  145   HD22  LEU  19          2HD2      LEU  19   7.567   1.689   1.833
  146   HD23  LEU  19          3HD2      LEU  19   7.084   3.383   1.887
  147    H    ARG  20           H        ARG  20   9.786   4.326   5.042
  148    HA   ARG  20           HA       ARG  20  10.113   7.026   6.148
  149    HB2  ARG  20          1HB       ARG  20  12.447   6.370   6.829
  150    HB3  ARG  20          2HB       ARG  20  11.160   5.643   7.783
  151    HG2  ARG  20          1HG       ARG  20  11.695   3.876   5.655
  152    HG3  ARG  20          2HG       ARG  20  13.251   4.375   6.323
  153    HD2  ARG  20          1HD       ARG  20  10.941   3.336   7.957
  154    HD3  ARG  20          2HD       ARG  20  12.293   2.350   7.401
  155    HE   ARG  20           HE       ARG  20  12.279   4.131   9.624
  156   HH11  ARG  20          1HH1      ARG  20  14.296   2.812   7.113
  157   HH12  ARG  20          2HH1      ARG  20  15.765   3.016   8.005
  158   HH21  ARG  20          1HH2      ARG  20  14.207   4.405  10.810
  159   HH22  ARG  20          2HH2      ARG  20  15.714   3.921  10.110
  160    H    CYS  21           H        CYS  21  10.066   8.038   4.229
  161    HA   CYS  21           HA       CYS  21  11.442   7.207   1.848
  162    HB2  CYS  21          1HB       CYS  21   9.450   8.749   2.062
  163    HB3  CYS  21          2HB       CYS  21  10.523   9.992   2.670
  164    H    LYS  22           H        LYS  22  12.991   9.266   0.984
  165    HA   LYS  22           HA       LYS  22  15.134  10.028   0.938
  166    HB2  LYS  22          1HB       LYS  22  14.308  10.736   3.374
  167    HB3  LYS  22          2HB       LYS  22  15.538   9.574   3.854
  168    HG2  LYS  22          1HG       LYS  22  16.287  11.621   1.844
  169    HG3  LYS  22          2HG       LYS  22  16.074  12.142   3.517
  170    HD2  LYS  22          1HD       LYS  22  17.692  10.484   4.258
  171    HD3  LYS  22          2HD       LYS  22  17.870   9.893   2.605
  172    HE2  LYS  22          1HE       LYS  22  19.490  11.382   2.299
  173    HE3  LYS  22          2HE       LYS  22  18.300  12.667   2.502
  174    HZ1  LYS  22          1HZ       LYS  22  19.235  11.528   4.979
  175    HZ2  LYS  22          2HZ       LYS  22  19.063  13.151   4.529
  176    HZ3  LYS  22          3HZ       LYS  22  20.449  12.292   4.082
  177    H    LEU  23           H        LEU  23  16.624   8.791   0.029
  178    HA   LEU  23           HA       LEU  23  18.289   7.239  -0.195
  179    HB2  LEU  23          1HB       LEU  23  18.137   7.554   2.527
  180    HB3  LEU  23          2HB       LEU  23  17.874   5.822   2.325
  181    HG   LEU  23           HG       LEU  23  20.043   6.060   0.806
  182   HD11  LEU  23          1HD1      LEU  23  21.615   7.644   1.827
  183   HD12  LEU  23          2HD1      LEU  23  20.309   8.289   2.818
  184   HD13  LEU  23          3HD1      LEU  23  20.253   8.462   1.064
  185   HD21  LEU  23          1HD2      LEU  23  19.531   5.426   3.604
  186   HD22  LEU  23          2HD2      LEU  23  21.200   5.905   3.292
  187   HD23  LEU  23          3HD2      LEU  23  20.487   4.561   2.400
  188    H    TRP  24           H        TRP  24  15.459   5.983   1.554
  189    HA   TRP  24           HA       TRP  24  14.579   4.345  -0.531
  190    HB2  TRP  24          1HB       TRP  24  15.499   2.288  -0.214
  191    HB3  TRP  24          2HB       TRP  24  16.826   3.234   0.456
  192    HD1  TRP  24           HD1      TRP  24  13.850   1.070   1.574
  193    HE1  TRP  24           HE1      TRP  24  14.290   0.265   3.978
  194    HE3  TRP  24           HE3      TRP  24  18.095   3.742   2.556
  195    HZ2  TRP  24           HZ2      TRP  24  16.187   0.706   6.023
  196    HZ3  TRP  24           HZ3      TRP  24  19.160   3.495   4.761
  197    HH2  TRP  24           HH2      TRP  24  18.222   2.008   6.456
  198    H    CYS  25           H        CYS  25  12.577   3.501  -0.097
  199    HA   CYS  25           HA       CYS  25  11.458   4.183   2.518
  200    HB2  CYS  25          1HB       CYS  25  10.489   4.289  -0.166
  201    HB3  CYS  25          2HB       CYS  25   9.462   3.190   0.749
  202    H    ARG  26           H        ARG  26  10.477   2.715   3.857
  203    HA   ARG  26           HA       ARG  26   9.777   0.086   3.207
  204    HB2  ARG  26          1HB       ARG  26  12.517   0.330   3.296
  205    HB3  ARG  26          2HB       ARG  26  12.134  -0.221   4.921
  206    HG2  ARG  26          1HG       ARG  26  11.136  -1.598   2.443
  207    HG3  ARG  26          2HG       ARG  26  12.649  -2.019   3.249
  208    HD2  ARG  26          1HD       ARG  26  10.829  -1.978   5.314
  209    HD3  ARG  26          2HD       ARG  26   9.898  -2.651   3.976
  210    HE   ARG  26           HE       ARG  26  11.932  -3.964   5.442
  211   HH11  ARG  26          1HH1      ARG  26  10.648  -3.629   2.223
  212   HH12  ARG  26          2HH1      ARG  26  11.169  -5.200   1.711
  213   HH21  ARG  26          1HH2      ARG  26  12.624  -6.033   4.780
  214   HH22  ARG  26          2HH2      ARG  26  12.292  -6.568   3.167
  215    H    LYS  27           H        LYS  27   8.921  -1.059   4.979
  216    HA   LYS  27           HA       LYS  27   7.682   0.398   6.949
  217    HB2  LYS  27          1HB       LYS  27   8.123  -2.418   6.384
  218    HB3  LYS  27          2HB       LYS  27   8.057  -2.107   8.113
  219    HG2  LYS  27          1HG       LYS  27   5.959  -1.098   6.220
  220    HG3  LYS  27          2HG       LYS  27   5.878  -2.693   6.973
  221    HD2  LYS  27          1HD       LYS  27   6.365  -1.169   9.140
  222    HD3  LYS  27          2HD       LYS  27   5.480  -0.012   8.145
  223    HE2  LYS  27          1HE       LYS  27   3.858  -2.073   7.822
  224    HE3  LYS  27          2HE       LYS  27   4.570  -2.575   9.355
  225    HZ1  LYS  27          1HZ       LYS  27   4.005  -0.134  10.021
  226    HZ2  LYS  27          2HZ       LYS  27   2.811  -1.330  10.069
  227    HZ3  LYS  27          3HZ       LYS  27   2.878  -0.252   8.765
  228    H    GLU  28           H        GLU  28   7.993   0.493   9.262
  229    HA   GLU  28           HA       GLU  28  10.490   1.442  10.029
  230    HB2  GLU  28          1HB       GLU  28   7.950   1.155  11.216
  231    HB3  GLU  28          2HB       GLU  28   9.088   0.376  12.307
  232    HG2  GLU  28          1HG       GLU  28   9.643   3.106  11.227
  233    HG3  GLU  28          2HG       GLU  28   8.566   2.882  12.605
  234    H    ILE  29           H        ILE  29  12.305   0.281   9.978
  235    HA   ILE  29           HA       ILE  29  12.307  -2.546  10.588
  236    HB   ILE  29           HB       ILE  29  14.699  -0.793  10.044
  237   HG12  ILE  29          1HG1      ILE  29  14.076  -2.291   7.751
  238   HG13  ILE  29          2HG1      ILE  29  12.551  -1.592   8.283
  239   HG21  ILE  29          1HG2      ILE  29  14.617  -3.354  10.935
  240   HG22  ILE  29          2HG2      ILE  29  14.666  -3.599   9.189
  241   HG23  ILE  29          3HG2      ILE  29  15.935  -2.667   9.985
  242   HD11  ILE  29          1HD1      ILE  29  13.432   0.613   8.142
  243   HD12  ILE  29          2HD1      ILE  29  15.064   0.004   7.865
  244   HD13  ILE  29          3HD1      ILE  29  13.818  -0.222   6.638
  245    HXT  ILE  29           HXT      ILE  29  15.005  -2.004  11.659
  Start of MODEL    7
    1    H1   TYR   1          1H        TYR   1  -0.990   3.098  -2.219
    2    H2   TYR   1          2H        TYR   1  -0.609   3.918  -3.538
    3    H3   TYR   1          3H        TYR   1   0.486   2.925  -2.808
    4    HA   TYR   1           HA       TYR   1   0.240   5.590  -2.623
    5    HB2  TYR   1          1HB       TYR   1  -0.818   4.099  -0.275
    6    HB3  TYR   1          2HB       TYR   1   0.255   5.458   0.047
    7    HD1  TYR   1           HD1      TYR   1  -3.086   4.474  -0.628
    8    HD2  TYR   1           HD2      TYR   1  -0.356   7.703  -1.103
    9    HE1  TYR   1           HE1      TYR   1  -4.976   6.023  -0.911
   10    HE2  TYR   1           HE2      TYR   1  -2.238   9.260  -1.387
   11    HH   TYR   1           HH       TYR   1  -4.799   8.916  -2.233
   12    H    CYS   2           H        CYS   2   1.490   2.521  -1.571
   13    HA   CYS   2           HA       CYS   2   3.840   3.364  -0.298
   14    HB2  CYS   2          1HB       CYS   2   3.494   0.847  -1.938
   15    HB3  CYS   2          2HB       CYS   2   4.654   1.115  -0.640
   16    H    GLN   3           H        GLN   3   5.950   2.161  -1.601
   17    HA   GLN   3           HA       GLN   3   6.175   3.641  -4.133
   18    HB2  GLN   3          1HB       GLN   3   8.367   4.426  -3.561
   19    HB3  GLN   3          2HB       GLN   3   7.277   4.867  -2.253
   20    HG2  GLN   3          1HG       GLN   3   9.255   2.601  -2.278
   21    HG3  GLN   3          2HG       GLN   3   9.345   4.086  -1.333
   22   HE21  GLN   3          1HE2      GLN   3   8.954   1.004  -0.897
   23   HE22  GLN   3          2HE2      GLN   3   7.770   0.964   0.361
   24    H    LYS   4           H        LYS   4   5.541   1.008  -4.131
   25    HA   LYS   4           HA       LYS   4   6.161  -0.876  -5.275
   26    HB2  LYS   4          1HB       LYS   4   7.845   0.849  -6.352
   27    HB3  LYS   4          2HB       LYS   4   9.026  -0.035  -5.394
   28    HG2  LYS   4          1HG       LYS   4   7.362  -1.898  -6.774
   29    HG3  LYS   4          2HG       LYS   4   7.980  -0.704  -7.918
   30    HD2  LYS   4          1HD       LYS   4  10.258  -1.138  -7.146
   31    HD3  LYS   4          2HD       LYS   4   9.646  -2.316  -5.983
   32    HE2  LYS   4          1HE       LYS   4   9.100  -3.849  -7.626
   33    HE3  LYS   4          2HE       LYS   4   8.998  -2.618  -8.884
   34    HZ1  LYS   4          1HZ       LYS   4  11.615  -2.687  -7.846
   35    HZ2  LYS   4          2HZ       LYS   4  11.094  -3.006  -9.423
   36    HZ3  LYS   4          3HZ       LYS   4  11.159  -4.255  -8.285
   37    H    TRP   5           H        TRP   5   7.602   0.268  -2.439
   38    HA   TRP   5           HA       TRP   5   8.194  -0.845  -0.529
   39    HB2  TRP   5          1HB       TRP   5   6.585  -2.641  -1.525
   40    HB3  TRP   5          2HB       TRP   5   8.071  -3.491  -1.944
   41    HD1  TRP   5           HD1      TRP   5   7.632  -1.550   1.348
   42    HE1  TRP   5           HE1      TRP   5   7.781  -3.221   3.300
   43    HE3  TRP   5           HE3      TRP   5   7.799  -5.905  -1.324
   44    HZ2  TRP   5           HZ2      TRP   5   7.947  -6.016   3.659
   45    HZ3  TRP   5           HZ3      TRP   5   7.953  -8.034  -0.100
   46    HH2  TRP   5           HH2      TRP   5   8.026  -8.086   2.340
   47    H    NLE   6           H        NLE   6  10.101  -1.054   0.278
   48    HA   NLE   6           HA       NLE   6  12.517  -0.965   0.346
   49    HB2  NLE   6          1HB       NLE   6  12.099  -3.408   0.287
   50    HB3  NLE   6          2HB       NLE   6  12.163  -3.414  -1.473
   51    HG2  NLE   6          1HG       NLE   6  14.326  -4.167  -0.323
   52    HG3  NLE   6          2HG       NLE   6  14.570  -2.862  -1.478
   53    HD2  NLE   6          1HD       NLE   6  15.190  -1.321   0.166
   54    HD3  NLE   6          2HD       NLE   6  14.019  -1.924   1.345
   55    HE1  NLE   6          1HE       NLE   6  16.557  -3.274   0.576
   56    HE2  NLE   6          2HE       NLE   6  16.255  -2.442   1.990
   57    HE3  NLE   6          3HE       NLE   6  15.447  -3.868   1.682
   58    H    TRP   7           H        TRP   7  11.044   0.615  -1.797
   59    HA   TRP   7           HA       TRP   7  13.337   1.009  -3.604
   60    HB2  TRP   7          1HB       TRP   7  11.718   0.138  -5.051
   61    HB3  TRP   7          2HB       TRP   7  10.399   0.964  -4.226
   62    HD1  TRP   7           HD1      TRP   7   9.778   3.381  -5.034
   63    HE1  TRP   7           HE1      TRP   7  10.556   4.847  -7.002
   64    HE3  TRP   7           HE3      TRP   7  13.867   0.681  -6.493
   65    HZ2  TRP   7           HZ2      TRP   7  12.628   4.857  -8.919
   66    HZ3  TRP   7           HZ3      TRP   7  15.193   1.487  -8.403
   67    HH2  TRP   7           HH2      TRP   7  14.584   3.532  -9.590
   68    H    THR   8           H        THR   8  13.850   3.137  -4.150
   69    HA   THR   8           HA       THR   8  13.425   5.070  -2.154
   70    HB   THR   8           HB       THR   8  14.337   6.675  -3.977
   71    HG1  THR   8           HG1      THR   8  14.886   5.800  -5.849
   72   HG21  THR   8          1HG2      THR   8  15.629   5.593  -2.105
   73   HG22  THR   8          2HG2      THR   8  16.577   5.970  -3.544
   74   HG23  THR   8          3HG2      THR   8  16.059   4.313  -3.237
   75    H    CYS   9           H        CYS   9  11.533   5.772  -1.751
   76    HA   CYS   9           HA       CYS   9   9.175   6.253  -2.803
   77    HB2  CYS   9          1HB       CYS   9   9.179   8.095  -1.037
   78    HB3  CYS   9          2HB       CYS   9   9.717   6.473  -0.636
   79    H    ASP  10           H        ASP  10   9.548   7.185  -5.402
   80    HA   ASP  10           HA       ASP  10   9.281   9.896  -5.478
   81    HB2  ASP  10          1HB       ASP  10  12.005   9.151  -4.814
   82    HB3  ASP  10          2HB       ASP  10  11.941  10.084  -6.307
   83    H    SER  11           H        SER  11  11.833   8.114  -7.187
   84    HA   SER  11           HA       SER  11  11.064   8.916  -9.740
   85    HB2  SER  11          1HB       SER  11  12.940   7.007  -8.592
   86    HB3  SER  11          2HB       SER  11  12.266   6.434 -10.117
   87    HG   SER  11           HG       SER  11  13.105   8.153 -11.152
   88    H    LYS  12           H        LYS  12   9.686   6.565  -7.670
   89    HA   LYS  12           HA       LYS  12   8.078   5.499  -9.898
   90    HB2  LYS  12          1HB       LYS  12   9.555   3.880  -8.602
   91    HB3  LYS  12          2HB       LYS  12   8.489   4.155  -7.229
   92    HG2  LYS  12          1HG       LYS  12   7.169   2.554  -7.989
   93    HG3  LYS  12          2HG       LYS  12   6.820   3.552  -9.403
   94    HD2  LYS  12          1HD       LYS  12   7.608   1.366 -10.100
   95    HD3  LYS  12          2HD       LYS  12   8.794   2.602 -10.531
   96    HE2  LYS  12          1HE       LYS  12  10.288   1.918  -8.901
   97    HE3  LYS  12          2HE       LYS  12   9.036   1.142  -7.934
   98    HZ1  LYS  12          1HZ       LYS  12  10.116   0.158 -10.519
   99    HZ2  LYS  12          2HZ       LYS  12   8.852  -0.567  -9.660
  100    HZ3  LYS  12          3HZ       LYS  12  10.405  -0.510  -8.992
  101    H    ARG  13           H        ARG  13   7.949   6.363  -6.450
  102    HA   ARG  13           HA       ARG  13   5.667   7.918  -6.591
  103    HB2  ARG  13          1HB       ARG  13   4.065   6.232  -5.448
  104    HB3  ARG  13          2HB       ARG  13   4.263   6.162  -7.194
  105    HG2  ARG  13          1HG       ARG  13   6.223   4.476  -6.040
  106    HG3  ARG  13          2HG       ARG  13   4.674   4.116  -5.275
  107    HD2  ARG  13          1HD       ARG  13   5.322   4.093  -8.217
  108    HD3  ARG  13          2HD       ARG  13   4.897   2.716  -7.202
  109    HE   ARG  13           HE       ARG  13   3.099   4.504  -8.488
  110   HH11  ARG  13          1HH1      ARG  13   3.527   2.574  -5.622
  111   HH12  ARG  13          2HH1      ARG  13   1.828   2.374  -5.344
  112   HH21  ARG  13          1HH2      ARG  13   0.859   4.249  -8.133
  113   HH22  ARG  13          2HH2      ARG  13   0.312   3.327  -6.773
  114    H    ALA  14           H        ALA  14   4.968   8.671  -4.546
  115    HA   ALA  14           HA       ALA  14   6.913   8.852  -2.580
  116    HB1  ALA  14          1HB       ALA  14   4.502  10.048  -3.037
  117    HB2  ALA  14          2HB       ALA  14   4.186   9.130  -1.563
  118    HB3  ALA  14          3HB       ALA  14   5.507  10.298  -1.609
  119    H    CYS  15           H        CYS  15   6.482   8.273  -0.196
  120    HA   CYS  15           HA       CYS  15   6.485   5.421   0.023
  121    HB2  CYS  15          1HB       CYS  15   6.346   7.481   2.226
  122    HB3  CYS  15          2HB       CYS  15   6.772   5.789   2.412
  123    H    CYS  16           H        CYS  16   5.089   4.314   1.767
  124    HA   CYS  16           HA       CYS  16   2.331   4.585   1.026
  125    HB2  CYS  16          1HB       CYS  16   3.925   2.524   1.992
  126    HB3  CYS  16          2HB       CYS  16   2.834   2.875   3.330
  127    H    GLU  17           H        GLU  17   2.382   6.903   1.849
  128    HA   GLU  17           HA       GLU  17   1.966   8.546   3.358
  129    HB2  GLU  17          1HB       GLU  17   0.048   6.505   4.543
  130    HB3  GLU  17          2HB       GLU  17  -0.037   8.257   4.732
  131    HG2  GLU  17          1HG       GLU  17  -0.376   6.742   2.106
  132    HG3  GLU  17          2HG       GLU  17  -1.661   7.425   3.087
  133    H    GLY  18           H        GLY  18   4.181   6.699   4.048
  134    HA2  GLY  18          1HA       GLY  18   4.866   7.744   6.555
  135    HA3  GLY  18          2HA       GLY  18   4.262   6.112   6.803
  136    H    LEU  19           H        LEU  19   5.653   4.476   6.597
  137    HA   LEU  19           HA       LEU  19   7.659   3.411   6.384
  138    HB2  LEU  19          1HB       LEU  19   6.820   4.388   3.831
  139    HB3  LEU  19          2HB       LEU  19   8.580   4.417   3.915
  140    HG   LEU  19           HG       LEU  19   8.545   2.012   4.517
  141   HD11  LEU  19          1HD1      LEU  19   6.464   1.634   5.496
  142   HD12  LEU  19          2HD1      LEU  19   6.343   0.840   3.925
  143   HD13  LEU  19          3HD1      LEU  19   5.595   2.417   4.175
  144   HD21  LEU  19          1HD2      LEU  19   7.080   1.807   2.057
  145   HD22  LEU  19          2HD2      LEU  19   8.808   1.617   2.349
  146   HD23  LEU  19          3HD2      LEU  19   8.138   3.216   2.022
  147    H    ARG  20           H        ARG  20  10.056   4.000   5.234
  148    HA   ARG  20           HA       ARG  20  10.886   6.481   6.592
  149    HB2  ARG  20          1HB       ARG  20  13.041   5.337   7.083
  150    HB3  ARG  20          2HB       ARG  20  11.661   4.607   7.892
  151    HG2  ARG  20          1HG       ARG  20  11.724   3.119   5.655
  152    HG3  ARG  20          2HG       ARG  20  13.437   3.517   5.813
  153    HD2  ARG  20          1HD       ARG  20  11.712   2.290   7.963
  154    HD3  ARG  20          2HD       ARG  20  12.859   1.416   6.950
  155    HE   ARG  20           HE       ARG  20  14.034   3.605   8.391
  156   HH11  ARG  20          1HH1      ARG  20  13.131   0.245   8.529
  157   HH12  ARG  20          2HH1      ARG  20  14.283  -0.149   9.761
  158   HH21  ARG  20          1HH2      ARG  20  15.555   3.098  10.014
  159   HH22  ARG  20          2HH2      ARG  20  15.661   1.476  10.605
  160    H    CYS  21           H        CYS  21  10.602   7.541   4.633
  161    HA   CYS  21           HA       CYS  21  11.891   7.002   2.154
  162    HB2  CYS  21          1HB       CYS  21  10.032   8.703   2.813
  163    HB3  CYS  21          2HB       CYS  21  11.333   9.762   3.242
  164    H    LYS  22           H        LYS  22  13.448   9.058   1.449
  165    HA   LYS  22           HA       LYS  22  15.505  10.042   1.592
  166    HB2  LYS  22          1HB       LYS  22  14.751  10.041   4.177
  167    HB3  LYS  22          2HB       LYS  22  16.131   8.955   4.280
  168    HG2  LYS  22          1HG       LYS  22  17.527  10.688   3.207
  169    HG3  LYS  22          2HG       LYS  22  16.139  11.778   3.232
  170    HD2  LYS  22          1HD       LYS  22  16.382  12.221   5.421
  171    HD3  LYS  22          2HD       LYS  22  16.733  10.537   5.818
  172    HE2  LYS  22          1HE       LYS  22  18.945  10.881   5.782
  173    HE3  LYS  22          2HE       LYS  22  18.860  11.829   4.298
  174    HZ1  LYS  22          1HZ       LYS  22  18.348  13.771   5.518
  175    HZ2  LYS  22          2HZ       LYS  22  19.659  13.053   6.307
  176    HZ3  LYS  22          3HZ       LYS  22  18.102  12.909   6.953
  177    H    LEU  23           H        LEU  23  16.537   8.826   0.081
  178    HA   LEU  23           HA       LEU  23  18.228   7.475  -0.669
  179    HB2  LEU  23          1HB       LEU  23  18.403   6.212   2.048
  180    HB3  LEU  23          2HB       LEU  23  19.650   6.327   0.806
  181    HG   LEU  23           HG       LEU  23  18.796   8.942   1.727
  182   HD11  LEU  23          1HD1      LEU  23  20.211   8.440   3.925
  183   HD12  LEU  23          2HD1      LEU  23  19.442   6.865   3.733
  184   HD13  LEU  23          3HD1      LEU  23  18.452   8.318   3.878
  185   HD21  LEU  23          1HD2      LEU  23  21.044   9.407   1.604
  186   HD22  LEU  23          2HD2      LEU  23  20.911   8.074   0.457
  187   HD23  LEU  23          3HD2      LEU  23  21.519   7.779   2.086
  188    H    TRP  24           H        TRP  24  15.532   6.298   1.130
  189    HA   TRP  24           HA       TRP  24  14.778   4.403  -0.758
  190    HB2  TRP  24          1HB       TRP  24  15.683   2.412  -0.166
  191    HB3  TRP  24          2HB       TRP  24  16.946   3.418   0.538
  192    HD1  TRP  24           HD1      TRP  24  13.937   1.264   1.527
  193    HE1  TRP  24           HE1      TRP  24  14.097   0.736   4.042
  194    HE3  TRP  24           HE3      TRP  24  17.889   4.273   2.736
  195    HZ2  TRP  24           HZ2      TRP  24  15.688   1.496   6.246
  196    HZ3  TRP  24           HZ3      TRP  24  18.668   4.316   5.070
  197    HH2  TRP  24           HH2      TRP  24  17.588   2.956   6.788
  198    H    CYS  25           H        CYS  25  12.894   2.991   0.031
  199    HA   CYS  25           HA       CYS  25  11.804   3.944   2.627
  200    HB2  CYS  25          1HB       CYS  25  10.887   4.924   0.177
  201    HB3  CYS  25          2HB       CYS  25   9.705   3.710   0.680
  202    H    ARG  26           H        ARG  26  11.065   2.412   3.874
  203    HA   ARG  26           HA       ARG  26   9.982  -0.070   3.011
  204    HB2  ARG  26          1HB       ARG  26  12.714  -0.086   2.978
  205    HB3  ARG  26          2HB       ARG  26  12.382  -0.661   4.606
  206    HG2  ARG  26          1HG       ARG  26  11.040  -1.869   2.215
  207    HG3  ARG  26          2HG       ARG  26  12.637  -2.394   2.751
  208    HD2  ARG  26          1HD       ARG  26  11.252  -2.431   5.088
  209    HD3  ARG  26          2HD       ARG  26   9.990  -2.864   3.936
  210    HE   ARG  26           HE       ARG  26  10.959  -4.914   3.764
  211   HH11  ARG  26          1HH1      ARG  26  13.370  -2.650   4.852
  212   HH12  ARG  26          2HH1      ARG  26  14.601  -3.853   5.046
  213   HH21  ARG  26          1HH2      ARG  26  12.572  -6.508   4.016
  214   HH22  ARG  26          2HH2      ARG  26  14.146  -6.047   4.570
  215    H    LYS  27           H        LYS  27   9.145  -1.323   4.744
  216    HA   LYS  27           HA       LYS  27   8.041   0.062   6.842
  217    HB2  LYS  27          1HB       LYS  27   8.362  -2.745   6.114
  218    HB3  LYS  27          2HB       LYS  27   8.296  -2.507   7.855
  219    HG2  LYS  27          1HG       LYS  27   6.249  -1.466   5.909
  220    HG3  LYS  27          2HG       LYS  27   6.093  -2.957   6.841
  221    HD2  LYS  27          1HD       LYS  27   6.533  -1.413   8.886
  222    HD3  LYS  27          2HD       LYS  27   6.060  -0.117   7.785
  223    HE2  LYS  27          1HE       LYS  27   3.897  -0.690   7.866
  224    HE3  LYS  27          2HE       LYS  27   4.255  -2.409   7.726
  225    HZ1  LYS  27          1HZ       LYS  27   3.477  -2.401   9.828
  226    HZ2  LYS  27          2HZ       LYS  27   3.875  -0.781  10.108
  227    HZ3  LYS  27          3HZ       LYS  27   5.071  -1.974  10.200
  228    H    GLU  28           H        GLU  28   8.518   0.369   9.007
  229    HA   GLU  28           HA       GLU  28  11.253   0.697   9.660
  230    HB2  GLU  28          1HB       GLU  28  10.473   1.401  11.843
  231    HB3  GLU  28          2HB       GLU  28   9.443   2.096  10.599
  232    HG2  GLU  28          1HG       GLU  28   7.968  -0.011  11.066
  233    HG3  GLU  28          2HG       GLU  28   8.835  -0.020  12.601
  234    H    ILE  29           H        ILE  29  12.407  -0.294  11.437
  235    HA   ILE  29           HA       ILE  29  11.615  -3.102  11.863
  236    HB   ILE  29           HB       ILE  29  14.425  -2.001  11.752
  237   HG12  ILE  29          1HG1      ILE  29  13.343  -2.025   9.541
  238   HG13  ILE  29          2HG1      ILE  29  14.623  -3.229   9.641
  239   HG21  ILE  29          1HG2      ILE  29  14.917  -3.838  12.916
  240   HG22  ILE  29          2HG2      ILE  29  13.297  -4.499  12.705
  241   HG23  ILE  29          3HG2      ILE  29  14.517  -4.744  11.456
  242   HD11  ILE  29          1HD1      ILE  29  12.251  -4.511  10.430
  243   HD12  ILE  29          2HD1      ILE  29  11.874  -3.574   8.984
  244   HD13  ILE  29          3HD1      ILE  29  13.184  -4.754   8.954
  245    HXT  ILE  29           HXT      ILE  29  12.082  -3.855  13.857
  Start of MODEL    8
    1    H1   TYR   1          1H        TYR   1  -0.706   4.911  -3.197
    2    H2   TYR   1          2H        TYR   1   0.864   5.179  -3.343
    3    H3   TYR   1          3H        TYR   1   0.273   3.646  -3.196
    4    HA   TYR   1           HA       TYR   1   0.178   5.590  -1.075
    5    HB2  TYR   1          1HB       TYR   1  -0.073   2.576  -1.143
    6    HB3  TYR   1          2HB       TYR   1  -0.084   3.560   0.315
    7    HD1  TYR   1           HD1      TYR   1  -1.937   2.859  -2.817
    8    HD2  TYR   1           HD2      TYR   1  -2.069   4.598   1.064
    9    HE1  TYR   1           HE1      TYR   1  -4.372   3.130  -3.028
   10    HE2  TYR   1           HE2      TYR   1  -4.505   4.872   0.865
   11    HH   TYR   1           HH       TYR   1  -6.222   3.939  -2.099
   12    H    CYS   2           H        CYS   2   1.838   2.531  -1.853
   13    HA   CYS   2           HA       CYS   2   4.215   3.474  -0.476
   14    HB2  CYS   2          1HB       CYS   2   3.739   0.828  -1.860
   15    HB3  CYS   2          2HB       CYS   2   5.047   1.210  -0.747
   16    H    GLN   3           H        GLN   3   6.252   2.275  -1.827
   17    HA   GLN   3           HA       GLN   3   6.204   3.515  -4.496
   18    HB2  GLN   3          1HB       GLN   3   8.385   4.423  -4.190
   19    HB3  GLN   3          2HB       GLN   3   7.435   4.895  -2.787
   20    HG2  GLN   3          1HG       GLN   3   9.514   2.729  -2.942
   21    HG3  GLN   3          2HG       GLN   3   9.604   4.245  -2.048
   22   HE21  GLN   3          1HE2      GLN   3   9.528   1.205  -1.433
   23   HE22  GLN   3          2HE2      GLN   3   8.451   1.117  -0.087
   24    H    LYS   4           H        LYS   4   5.637   0.900  -4.286
   25    HA   LYS   4           HA       LYS   4   6.220  -1.039  -5.364
   26    HB2  LYS   4          1HB       LYS   4   7.948   0.681  -6.505
   27    HB3  LYS   4          2HB       LYS   4   9.090  -0.340  -5.641
   28    HG2  LYS   4          1HG       LYS   4   7.348  -2.120  -6.877
   29    HG3  LYS   4          2HG       LYS   4   7.632  -0.854  -8.075
   30    HD2  LYS   4          1HD       LYS   4  10.080  -1.129  -7.676
   31    HD3  LYS   4          2HD       LYS   4   9.706  -2.506  -6.637
   32    HE2  LYS   4          1HE       LYS   4   8.313  -2.859  -9.079
   33    HE3  LYS   4          2HE       LYS   4   9.977  -2.425  -9.471
   34    HZ1  LYS   4          1HZ       LYS   4   9.338  -4.892  -9.062
   35    HZ2  LYS   4          2HZ       LYS   4   9.468  -4.476  -7.428
   36    HZ3  LYS   4          3HZ       LYS   4  10.799  -4.293  -8.456
   37    H    TRP   5           H        TRP   5   7.828   0.283  -2.678
   38    HA   TRP   5           HA       TRP   5   8.560  -0.678  -0.742
   39    HB2  TRP   5          1HB       TRP   5   6.923  -2.675  -1.887
   40    HB3  TRP   5          2HB       TRP   5   8.398  -3.482  -1.361
   41    HD1  TRP   5           HD1      TRP   5   9.082  -2.320   1.334
   42    HE1  TRP   5           HE1      TRP   5   7.495  -2.440   3.356
   43    HE3  TRP   5           HE3      TRP   5   4.665  -3.019  -1.142
   44    HZ2  TRP   5           HZ2      TRP   5   4.736  -2.787   3.838
   45    HZ3  TRP   5           HZ3      TRP   5   2.597  -3.236   0.174
   46    HH2  TRP   5           HH2      TRP   5   2.633  -3.122   2.611
   47    H    NLE   6           H        NLE   6  10.515  -0.955  -0.090
   48    HA   NLE   6           HA       NLE   6  12.916  -1.287  -0.143
   49    HB2  NLE   6          1HB       NLE   6  11.767  -3.592  -1.625
   50    HB3  NLE   6          2HB       NLE   6  13.423  -3.226  -2.098
   51    HG2  NLE   6          1HG       NLE   6  12.525  -3.589   0.847
   52    HG3  NLE   6          2HG       NLE   6  13.150  -4.908  -0.135
   53    HD2  NLE   6          1HD       NLE   6  15.205  -3.089  -0.517
   54    HD3  NLE   6          2HD       NLE   6  14.637  -2.552   1.068
   55    HE1  NLE   6          1HE       NLE   6  15.386  -5.341   0.348
   56    HE2  NLE   6          2HE       NLE   6  16.277  -4.270   1.265
   57    HE3  NLE   6          3HE       NLE   6  14.829  -4.851   1.852
   58    H    TRP   7           H        TRP   7  11.197   0.331  -2.357
   59    HA   TRP   7           HA       TRP   7  13.522   0.929  -4.069
   60    HB2  TRP   7          1HB       TRP   7  11.899   0.155  -5.559
   61    HB3  TRP   7          2HB       TRP   7  10.579   0.894  -4.657
   62    HD1  TRP   7           HD1      TRP   7   9.947   3.387  -5.230
   63    HE1  TRP   7           HE1      TRP   7  10.653   4.994  -7.113
   64    HE3  TRP   7           HE3      TRP   7  13.957   0.791  -7.052
   65    HZ2  TRP   7           HZ2      TRP   7  12.644   5.140  -9.108
   66    HZ3  TRP   7           HZ3      TRP   7  15.208   1.734  -8.949
   67    HH2  TRP   7           HH2      TRP   7  14.563   3.862  -9.955
   68    H    THR   8           H        THR   8  13.923   3.123  -4.591
   69    HA   THR   8           HA       THR   8  13.487   4.922  -2.434
   70    HB   THR   8           HB       THR   8  14.638   6.593  -3.851
   71    HG1  THR   8           HG1      THR   8  15.520   5.486  -5.888
   72   HG21  THR   8          1HG2      THR   8  15.745   4.523  -2.590
   73   HG22  THR   8          2HG2      THR   8  16.703   5.674  -3.524
   74   HG23  THR   8          3HG2      THR   8  16.246   4.126  -4.234
   75    H    CYS   9           H        CYS   9  11.466   5.455  -2.093
   76    HA   CYS   9           HA       CYS   9   9.218   6.243  -3.315
   77    HB2  CYS   9          1HB       CYS   9   9.177   8.122  -1.713
   78    HB3  CYS   9          2HB       CYS   9   9.793   6.593  -1.056
   79    H    ASP  10           H        ASP  10   8.355   8.061  -4.512
   80    HA   ASP  10           HA       ASP  10   8.428  10.191  -5.392
   81    HB2  ASP  10          1HB       ASP  10  10.546  10.349  -3.745
   82    HB3  ASP  10          2HB       ASP  10  11.389  10.412  -5.291
   83    H    SER  11           H        SER  11  11.313   8.288  -6.275
   84    HA   SER  11           HA       SER  11  11.313   9.149  -8.982
   85    HB2  SER  11          1HB       SER  11  13.329   8.284  -7.824
   86    HB3  SER  11          2HB       SER  11  12.596   6.681  -7.785
   87    HG   SER  11           HG       SER  11  13.972   7.836  -9.761
   88    H    LYS  12           H        LYS  12   9.245   7.126  -7.348
   89    HA   LYS  12           HA       LYS  12   8.393   5.858  -9.863
   90    HB2  LYS  12          1HB       LYS  12   9.464   4.128  -8.566
   91    HB3  LYS  12          2HB       LYS  12   8.549   4.577  -7.131
   92    HG2  LYS  12          1HG       LYS  12   7.222   2.881  -7.734
   93    HG3  LYS  12          2HG       LYS  12   6.542   4.049  -8.869
   94    HD2  LYS  12          1HD       LYS  12   6.989   2.217 -10.223
   95    HD3  LYS  12          2HD       LYS  12   8.414   3.232 -10.459
   96    HE2  LYS  12          1HE       LYS  12   9.706   1.889  -8.972
   97    HE3  LYS  12          2HE       LYS  12   8.280   0.999  -8.441
   98    HZ1  LYS  12          1HZ       LYS  12   8.584   0.828 -11.256
   99    HZ2  LYS  12          2HZ       LYS  12   8.519  -0.417 -10.112
  100    HZ3  LYS  12          3HZ       LYS  12   9.998   0.315 -10.483
  101    H    ARG  13           H        ARG  13   7.517   7.076  -6.682
  102    HA   ARG  13           HA       ARG  13   5.083   8.173  -7.572
  103    HB2  ARG  13          1HB       ARG  13   3.723   6.596  -5.919
  104    HB3  ARG  13          2HB       ARG  13   3.932   6.202  -7.620
  105    HG2  ARG  13          1HG       ARG  13   6.133   5.039  -6.567
  106    HG3  ARG  13          2HG       ARG  13   4.996   4.878  -5.228
  107    HD2  ARG  13          1HD       ARG  13   4.297   4.095  -8.045
  108    HD3  ARG  13          2HD       ARG  13   5.062   2.978  -6.917
  109    HE   ARG  13           HE       ARG  13   2.814   4.063  -5.667
  110   HH11  ARG  13          1HH1      ARG  13   3.595   1.990  -8.352
  111   HH12  ARG  13          2HH1      ARG  13   2.115   1.094  -8.261
  112   HH21  ARG  13          1HH2      ARG  13   0.861   2.892  -5.535
  113   HH22  ARG  13          2HH2      ARG  13   0.560   1.609  -6.658
  114    H    ALA  14           H        ALA  14   5.653   6.495  -4.501
  115    HA   ALA  14           HA       ALA  14   6.720   8.631  -3.059
  116    HB1  ALA  14          1HB       ALA  14   4.841   9.955  -3.263
  117    HB2  ALA  14          2HB       ALA  14   3.737   8.580  -3.205
  118    HB3  ALA  14          3HB       ALA  14   4.538   9.130  -1.734
  119    H    CYS  15           H        CYS  15   6.790   8.270  -0.749
  120    HA   CYS  15           HA       CYS  15   7.023   5.526   0.051
  121    HB2  CYS  15          1HB       CYS  15   6.906   8.108   1.615
  122    HB3  CYS  15          2HB       CYS  15   7.107   6.537   2.394
  123    H    CYS  16           H        CYS  16   5.824   4.334   1.537
  124    HA   CYS  16           HA       CYS  16   3.014   4.929   1.595
  125    HB2  CYS  16          1HB       CYS  16   4.642   2.637   1.979
  126    HB3  CYS  16          2HB       CYS  16   3.713   2.868   3.456
  127    H    GLU  17           H        GLU  17   2.024   4.319   4.019
  128    HA   GLU  17           HA       GLU  17   2.740   6.633   5.676
  129    HB2  GLU  17          1HB       GLU  17   0.782   4.354   6.171
  130    HB3  GLU  17          2HB       GLU  17   0.943   5.813   7.150
  131    HG2  GLU  17          1HG       GLU  17   0.051   5.687   4.234
  132    HG3  GLU  17          2HG       GLU  17  -0.978   5.955   5.633
  133    H    GLY  18           H        GLY  18   4.480   6.564   6.924
  134    HA2  GLY  18          1HA       GLY  18   5.477   5.868   8.990
  135    HA3  GLY  18          2HA       GLY  18   4.978   4.221   8.631
  136    H    LEU  19           H        LEU  19   5.917   4.477   5.823
  137    HA   LEU  19           HA       LEU  19   8.421   3.324   6.068
  138    HB2  LEU  19          1HB       LEU  19   6.717   4.225   3.944
  139    HB3  LEU  19          2HB       LEU  19   8.390   4.643   3.584
  140    HG   LEU  19           HG       LEU  19   9.048   2.332   3.713
  141   HD11  LEU  19          1HD1      LEU  19   7.373   0.559   4.097
  142   HD12  LEU  19          2HD1      LEU  19   6.194   1.800   4.520
  143   HD13  LEU  19          3HD1      LEU  19   7.634   1.579   5.513
  144   HD21  LEU  19          1HD2      LEU  19   6.615   1.937   2.129
  145   HD22  LEU  19          2HD2      LEU  19   8.311   1.832   1.655
  146   HD23  LEU  19          3HD2      LEU  19   7.514   3.404   1.739
  147    H    ARG  20           H        ARG  20  10.412   4.310   4.837
  148    HA   ARG  20           HA       ARG  20  10.831   7.060   5.804
  149    HB2  ARG  20          1HB       ARG  20  13.212   6.376   6.253
  150    HB3  ARG  20          2HB       ARG  20  12.017   5.660   7.325
  151    HG2  ARG  20          1HG       ARG  20  12.343   3.910   5.127
  152    HG3  ARG  20          2HG       ARG  20  13.950   4.372   5.694
  153    HD2  ARG  20          1HD       ARG  20  13.090   3.840   8.035
  154    HD3  ARG  20          2HD       ARG  20  11.726   3.061   7.233
  155    HE   ARG  20           HE       ARG  20  13.103   1.324   6.639
  156   HH11  ARG  20          1HH1      ARG  20  15.028   4.001   7.760
  157   HH12  ARG  20          2HH1      ARG  20  16.505   3.094   7.793
  158   HH21  ARG  20          1HH2      ARG  20  15.041   0.119   6.680
  159   HH22  ARG  20          2HH2      ARG  20  16.511   0.887   7.178
  160    H    CYS  21           H        CYS  21  10.861   8.252   4.017
  161    HA   CYS  21           HA       CYS  21  11.572   7.325   1.437
  162    HB2  CYS  21          1HB       CYS  21  10.126   9.342   2.238
  163    HB3  CYS  21          2HB       CYS  21  11.620  10.222   2.335
  164    H    LYS  22           H        LYS  22  13.190   9.505   0.556
  165    HA   LYS  22           HA       LYS  22  15.328  10.323   0.480
  166    HB2  LYS  22          1HB       LYS  22  15.969   8.804   3.002
  167    HB3  LYS  22          2HB       LYS  22  16.760  10.240   2.364
  168    HG2  LYS  22          1HG       LYS  22  14.330  11.254   2.696
  169    HG3  LYS  22          2HG       LYS  22  14.252   9.980   3.915
  170    HD2  LYS  22          1HD       LYS  22  16.727  11.576   3.911
  171    HD3  LYS  22          2HD       LYS  22  15.261  12.455   4.355
  172    HE2  LYS  22          1HE       LYS  22  14.902  10.257   5.832
  173    HE3  LYS  22          2HE       LYS  22  16.663  10.253   5.758
  174    HZ1  LYS  22          1HZ       LYS  22  14.902  12.382   6.825
  175    HZ2  LYS  22          2HZ       LYS  22  16.545  12.627   6.512
  176    HZ3  LYS  22          3HZ       LYS  22  16.064  11.482   7.660
  177    H    LEU  23           H        LEU  23  17.435   8.429   1.845
  178    HA   LEU  23           HA       LEU  23  18.621   7.296  -0.254
  179    HB2  LEU  23          1HB       LEU  23  18.217   5.879   2.376
  180    HB3  LEU  23          2HB       LEU  23  19.477   5.523   1.196
  181    HG   LEU  23           HG       LEU  23  19.350   8.280   2.305
  182   HD11  LEU  23          1HD1      LEU  23  19.080   6.502   4.176
  183   HD12  LEU  23          2HD1      LEU  23  20.287   7.775   4.352
  184   HD13  LEU  23          3HD1      LEU  23  20.779   6.159   3.849
  185   HD21  LEU  23          1HD2      LEU  23  21.250   8.349   1.159
  186   HD22  LEU  23          2HD2      LEU  23  21.169   6.619   0.826
  187   HD23  LEU  23          3HD2      LEU  23  21.937   7.200   2.306
  188    H    TRP  24           H        TRP  24  15.929   5.780   1.499
  189    HA   TRP  24           HA       TRP  24  14.782   4.638  -0.789
  190    HB2  TRP  24          1HB       TRP  24  15.486   2.436  -0.835
  191    HB3  TRP  24          2HB       TRP  24  16.980   3.256  -0.395
  192    HD1  TRP  24           HD1      TRP  24  14.305   0.937   1.037
  193    HE1  TRP  24           HE1      TRP  24  15.176  -0.068   3.240
  194    HE3  TRP  24           HE3      TRP  24  18.565   3.713   1.568
  195    HZ2  TRP  24           HZ2      TRP  24  17.379   0.270   4.974
  196    HZ3  TRP  24           HZ3      TRP  24  19.998   3.311   3.526
  197    HH2  TRP  24           HH2      TRP  24  19.415   1.626   5.193
  198    H    CYS  25           H        CYS  25  12.830   3.521  -0.370
  199    HA   CYS  25           HA       CYS  25  11.859   4.020   2.365
  200    HB2  CYS  25          1HB       CYS  25  10.798   4.706  -0.145
  201    HB3  CYS  25          2HB       CYS  25   9.729   3.499   0.622
  202    H    ARG  26           H        ARG  26  11.111   2.634   3.766
  203    HA   ARG  26           HA       ARG  26  10.783  -0.125   3.131
  204    HB2  ARG  26          1HB       ARG  26  13.427   0.727   3.698
  205    HB3  ARG  26          2HB       ARG  26  12.864  -0.177   5.096
  206    HG2  ARG  26          1HG       ARG  26  12.921  -1.142   2.245
  207    HG3  ARG  26          2HG       ARG  26  13.992  -1.647   3.554
  208    HD2  ARG  26          1HD       ARG  26  11.008  -2.071   3.429
  209    HD3  ARG  26          2HD       ARG  26  12.245  -3.300   3.166
  210    HE   ARG  26           HE       ARG  26  12.426  -1.994   5.722
  211   HH11  ARG  26          1HH1      ARG  26  10.965  -4.591   3.924
  212   HH12  ARG  26          2HH1      ARG  26  10.656  -5.561   5.326
  213   HH21  ARG  26          1HH2      ARG  26  12.025  -3.261   7.575
  214   HH22  ARG  26          2HH2      ARG  26  11.259  -4.802   7.402
  215    H    LYS  27           H        LYS  27   9.909  -1.321   4.848
  216    HA   LYS  27           HA       LYS  27   8.278   0.015   6.627
  217    HB2  LYS  27          1HB       LYS  27   9.166  -2.751   6.244
  218    HB3  LYS  27          2HB       LYS  27   8.728  -2.381   7.907
  219    HG2  LYS  27          1HG       LYS  27   6.915  -1.683   5.627
  220    HG3  LYS  27          2HG       LYS  27   6.914  -3.292   6.355
  221    HD2  LYS  27          1HD       LYS  27   6.483  -2.247   8.558
  222    HD3  LYS  27          2HD       LYS  27   6.382  -0.674   7.762
  223    HE2  LYS  27          1HE       LYS  27   4.173  -1.185   7.752
  224    HE3  LYS  27          2HE       LYS  27   4.626  -2.012   6.262
  225    HZ1  LYS  27          1HZ       LYS  27   3.245  -3.312   7.906
  226    HZ2  LYS  27          2HZ       LYS  27   4.621  -3.381   8.887
  227    HZ3  LYS  27          3HZ       LYS  27   4.647  -4.076   7.347
  228    H    GLU  28           H        GLU  28   8.377   0.549   8.799
  229    HA   GLU  28           HA       GLU  28  11.095   0.655   9.923
  230    HB2  GLU  28          1HB       GLU  28   9.108   2.658   9.595
  231    HB3  GLU  28          2HB       GLU  28   9.292   2.376  11.319
  232    HG2  GLU  28          1HG       GLU  28  11.871   2.508  10.623
  233    HG3  GLU  28          2HG       GLU  28  11.176   3.540   9.373
  234    H    ILE  29           H        ILE  29   7.689   0.136  10.768
  235    HA   ILE  29           HA       ILE  29   8.599  -1.456  13.074
  236    HB   ILE  29           HB       ILE  29   7.611   0.667  13.842
  237   HG12  ILE  29          1HG1      ILE  29   5.765  -1.655  14.422
  238   HG13  ILE  29          2HG1      ILE  29   7.372  -1.492  15.121
  239   HG21  ILE  29          1HG2      ILE  29   6.076   0.886  11.858
  240   HG22  ILE  29          2HG2      ILE  29   5.018  -0.284  12.648
  241   HG23  ILE  29          3HG2      ILE  29   5.355   1.264  13.421
  242   HD11  ILE  29          1HD1      ILE  29   6.400   0.873  15.822
  243   HD12  ILE  29          2HD1      ILE  29   4.881  -0.018  15.717
  244   HD13  ILE  29          3HD1      ILE  29   6.160  -0.578  16.795
  245    HXT  ILE  29           HXT      ILE  29   7.524  -3.267  13.291