save_monomeric_polymer _Saveframe_category monomeric_polymer _Mol_type . _Mol_polymer_class . _Name_common . _Residue_count 86 _Mol_residue_sequence ; MGHHHHHHSH PNEEARLDIL KIHSRKMNLT RGINLRKIAE LMPGASGAEV KGVCTEAGMY ALRERRVHVT QEDFEMAVAK VMQKDS ; loop_ _Residue_seq_code _Residue_label 1 Met 2 Gly 3 His 4 His 5 His 6 His 7 His 8 His 9 Ser 10 His 11 Pro 12 Asn 13 Glu 14 Glu 15 Ala 16 Arg 17 Leu 18 Asp 19 Ile 20 Leu 21 Lys 22 Ile 23 His 24 Ser 25 Arg 26 Lys 27 Met 28 Asn 29 Leu 30 Thr 31 Arg 32 Gly 33 Ile 34 Asn 35 Leu 36 Arg 37 Lys 38 Ile 39 Ala 40 Glu 41 Leu 42 Met 43 Pro 44 Gly 45 Ala 46 Ser 47 Gly 48 Ala 49 Glu 50 Val 51 Lys 52 Gly 53 Val 54 Cys 55 Thr 56 Glu 57 Ala 58 Gly 59 Met 60 Tyr 61 Ala 62 Leu 63 Arg 64 Glu 65 Arg 66 Arg 67 Val 68 His 69 Val 70 Thr 71 Gln 72 Glu 73 Asp 74 Phe 75 Glu 76 Met 77 Ala 78 Val 79 Ala 80 Lys 81 Val 82 Met 83 Gln 84 Lys 85 Asp 86 Ser stop_ save_ save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 His HA H 4.64 . 1 2 3 His HB2 H 3.18 . 2 3 3 His HB3 H 3.10 . 2 4 3 His HD2 H 7.07 . 1 5 3 His CA C 55.8 . 1 6 3 His CB C 29.8 . 1 7 3 His CD2 C 119.5 . 1 8 4 His H H 8.27 . 1 9 4 His HA H 4.78 . 1 10 4 His HB2 H 1.87 . 2 11 4 His HB3 H 1.98 . 2 12 4 His N N 122.7 . 1 13 11 Pro HA H 4.42 . 1 14 11 Pro HB2 H 2.25 . 2 15 11 Pro HB3 H 1.89 . 2 16 11 Pro HG2 H 1.78 . 2 17 11 Pro HG3 H 1.95 . 2 18 11 Pro HD2 H 3.71 . 2 19 11 Pro HD3 H 4.03 . 2 20 11 Pro CA C 62.7 . 1 21 11 Pro CB C 31.6 . 1 22 11 Pro CG C 27.2 . 1 23 11 Pro CD C 50.1 . 1 24 12 Asn H H 8.55 . 1 25 12 Asn HA H 4.58 . 1 26 12 Asn HB2 H 3.36 . 2 27 12 Asn HB3 H 3.01 . 2 28 12 Asn HD21 H 6.80 . 2 29 12 Asn HD22 H 7.61 . 2 30 12 Asn CA C 51.7 . 1 31 12 Asn CB C 37.5 . 1 32 12 Asn N N 121.8 . 1 33 12 Asn ND2 N 110.7 . 1 34 13 Glu H H 8.66 . 1 35 13 Glu HA H 3.56 . 1 36 13 Glu HB2 H 1.98 . 2 37 13 Glu HB3 H 2.09 . 2 38 13 Glu HG2 H 1.97 . 2 39 13 Glu HG3 H 2.07 . 2 40 13 Glu CA C 61.1 . 1 41 13 Glu CB C 29.9 . 1 42 13 Glu CG C 36.8 . 1 43 13 Glu N N 119.6 . 1 44 14 Glu H H 8.09 . 1 45 14 Glu HA H 3.89 . 1 46 14 Glu HB2 H 1.99 . 2 47 14 Glu HB3 H 2.00 . 2 48 14 Glu HG2 H 2.31 . 2 49 14 Glu HG3 H 2.31 . 2 50 14 Glu CA C 58.8 . 1 51 14 Glu CB C 28.8 . 1 52 14 Glu CG C 35.9 . 1 53 14 Glu N N 118.3 . 1 54 15 Ala H H 8.13 . 1 55 15 Ala HA H 4.26 . 1 56 15 Ala HB H 1.51 . 1 57 15 Ala CA C 54.4 . 1 58 15 Ala CB C 18.3 . 1 59 15 Ala N N 122.2 . 1 60 16 Arg H H 8.73 . 1 61 16 Arg HA H 3.93 . 1 62 16 Arg HB2 H 2.22 . 2 63 16 Arg HB3 H 1.45 . 2 64 16 Arg HG2 H 2.14 . 2 65 16 Arg HG3 H 1.13 . 2 66 16 Arg HD2 H 2.96 . 2 67 16 Arg HD3 H 3.67 . 2 68 16 Arg HE H 7.23 . 1 69 16 Arg CA C 60.3 . 1 70 16 Arg CB C 30.5 . 1 71 16 Arg CG C 29.0 . 1 72 16 Arg CD C 44.6 . 1 73 16 Arg N N 118.0 . 1 74 16 Arg NE N 80.3 . 1 75 17 Leu H H 8.05 . 1 76 17 Leu HA H 3.95 . 1 77 17 Leu HB2 H 1.17 . 2 78 17 Leu HB3 H 2.17 . 2 79 17 Leu HG H 1.49 . 1 80 17 Leu HD1 H 0.74 . 2 81 17 Leu HD2 H 0.85 . 2 82 17 Leu CA C 57.8 . 1 83 17 Leu CB C 40.8 . 1 84 17 Leu CG C 26.6 . 1 85 17 Leu CD1 C 23.2 . 1 86 17 Leu CD2 C 25.9 . 1 87 17 Leu N N 120.2 . 1 88 18 Asp H H 8.07 . 1 89 18 Asp HA H 4.34 . 1 90 18 Asp HB2 H 2.65 . 2 91 18 Asp HB3 H 2.82 . 2 92 18 Asp CA C 57.8 . 1 93 18 Asp CB C 40.3 . 1 94 18 Asp N N 119.4 . 1 95 19 Ile H H 7.77 . 1 96 19 Ile HA H 3.74 . 1 97 19 Ile HB H 1.98 . 1 98 19 Ile HG12 H 1.98 . 2 99 19 Ile HG13 H 1.10 . 2 100 19 Ile HG2 H 1.00 . 1 101 19 Ile HD1 H 0.89 . 1 102 19 Ile CA C 65.4 . 1 103 19 Ile CB C 38.0 . 1 104 19 Ile CG1 C 28.7 . 1 105 19 Ile CG2 C 18.6 . 1 106 19 Ile CD1 C 13.6 . 1 107 19 Ile N N 119.2 . 1 108 20 Leu H H 8.21 . 1 109 20 Leu HA H 3.89 . 1 110 20 Leu HB2 H 2.00 . 2 111 20 Leu HB3 H 1.37 . 2 112 20 Leu HG H 1.62 . 1 113 20 Leu HD1 H 0.72 . 2 114 20 Leu HD2 H 0.76 . 2 115 20 Leu CA C 57.8 . 1 116 20 Leu CB C 42.4 . 1 117 20 Leu CG C 26.3 . 1 118 20 Leu CD1 C 26.1 . 1 119 20 Leu CD2 C 25.0 . 1 120 20 Leu N N 120.8 . 1 121 21 Lys H H 8.69 . 1 122 21 Lys HA H 3.62 . 1 123 21 Lys HB2 H 1.98 . 2 124 21 Lys HB3 H 1.79 . 2 125 21 Lys HG2 H 1.25 . 2 126 21 Lys HG3 H 1.59 . 2 127 21 Lys HD2 H 1.63 . 2 128 21 Lys HD3 H 1.63 . 2 129 21 Lys HE2 H 2.91 . 2 130 21 Lys HE3 H 2.76 . 2 131 21 Lys CA C 60.1 . 1 132 21 Lys CB C 32.0 . 1 133 21 Lys CG C 26.0 . 1 134 21 Lys CD C 29.4 . 1 135 21 Lys CE C 41.5 . 1 136 21 Lys N N 120.5 . 1 137 22 Ile H H 7.92 . 1 138 22 Ile HA H 3.61 . 1 139 22 Ile HB H 1.73 . 1 140 22 Ile HG12 H 1.66 . 2 141 22 Ile HG13 H 1.01 . 2 142 22 Ile HG2 H 0.39 . 1 143 22 Ile HD1 H 0.76 . 1 144 22 Ile CA C 64.8 . 1 145 22 Ile CB C 38.2 . 1 146 22 Ile CG1 C 28.8 . 1 147 22 Ile CG2 C 16.2 . 1 148 22 Ile CD1 C 12.9 . 1 149 22 Ile N N 119.4 . 1 150 23 His H H 8.14 . 1 151 23 His HA H 4.49 . 1 152 23 His HB2 H 3.31 . 2 153 23 His HB3 H 3.31 . 2 154 23 His HD2 H 7.16 . 1 155 23 His HE1 H 7.80 . 1 156 23 His CA C 59.1 . 1 157 23 His CB C 29.9 . 1 158 23 His CD2 C 120.7 . 1 159 23 His CE1 C 138.7 . 1 160 23 His N N 116.3 . 1 161 24 Ser H H 8.16 . 1 162 24 Ser HA H 4.74 . 1 163 24 Ser HB2 H 4.35 . 2 164 24 Ser HB3 H 4.06 . 2 165 24 Ser HG H 5.27 . 1 166 24 Ser CA C 59.1 . 1 167 24 Ser CB C 64.3 . 1 168 24 Ser N N 113.8 . 1 169 25 Arg H H 7.16 . 1 170 25 Arg HA H 4.18 . 1 171 25 Arg HB2 H 1.92 . 2 172 25 Arg HB3 H 2.03 . 2 173 25 Arg HG2 H 1.80 . 2 174 25 Arg HG3 H 1.80 . 2 175 25 Arg HD2 H 3.22 . 2 176 25 Arg HD3 H 3.22 . 2 177 25 Arg CA C 58.9 . 1 178 25 Arg CB C 30.1 . 1 179 25 Arg CG C 27.0 . 1 180 25 Arg CD C 43.4 . 1 181 25 Arg N N 122.4 . 1 182 26 Lys H H 8.06 . 1 183 26 Lys HA H 4.47 . 1 184 26 Lys HB2 H 1.69 . 2 185 26 Lys HB3 H 2.05 . 2 186 26 Lys HG2 H 1.41 . 2 187 26 Lys HG3 H 1.41 . 2 188 26 Lys HD2 H 1.67 . 2 189 26 Lys HD3 H 1.67 . 2 190 26 Lys HE2 H 2.98 . 2 191 26 Lys HE3 H 2.98 . 2 192 26 Lys CA C 55.4 . 1 193 26 Lys CB C 31.6 . 1 194 26 Lys CG C 24.7 . 1 195 26 Lys CD C 28.9 . 1 196 26 Lys CE C 41.8 . 1 197 26 Lys N N 115.3 . 1 198 27 Met H H 7.62 . 1 199 27 Met HA H 4.33 . 1 200 27 Met HB2 H 2.13 . 2 201 27 Met HB3 H 2.03 . 2 202 27 Met HG2 H 2.54 . 2 203 27 Met HG3 H 2.54 . 2 204 27 Met HE H 2.10 . 1 205 27 Met CA C 55.2 . 1 206 27 Met CB C 35.3 . 1 207 27 Met CG C 31.8 . 1 208 27 Met CE C 17.4 . 1 209 27 Met N N 119.0 . 1 210 28 Asn H H 8.93 . 1 211 28 Asn HA H 4.89 . 1 212 28 Asn HB2 H 3.02 . 2 213 28 Asn HB3 H 2.75 . 2 214 28 Asn HD21 H 6.83 . 2 215 28 Asn HD22 H 7.26 . 2 216 28 Asn CA C 51.7 . 1 217 28 Asn CB C 37.4 . 1 218 28 Asn N N 121.0 . 1 219 28 Asn ND2 N 112.5 . 1 220 29 Leu H H 8.34 . 1 221 29 Leu HA H 4.75 . 1 222 29 Leu HB2 H 1.85 . 2 223 29 Leu HB3 H 1.59 . 2 224 29 Leu HG H 1.85 . 1 225 29 Leu HD1 H 1.00 . 2 226 29 Leu HD2 H 1.04 . 2 227 29 Leu CA C 54.2 . 1 228 29 Leu CB C 42.3 . 1 229 29 Leu CG C 27.0 . 1 230 29 Leu CD1 C 25.4 . 1 231 29 Leu CD2 C 23.9 . 1 232 29 Leu N N 123.4 . 1 233 30 Thr H H 8.18 . 1 234 30 Thr HA H 4.03 . 1 235 30 Thr HB H 4.12 . 1 236 30 Thr HG2 H 1.28 . 1 237 30 Thr CA C 62.7 . 1 238 30 Thr CB C 69.7 . 1 239 30 Thr CG2 C 21.7 . 1 240 30 Thr N N 116.3 . 1 241 31 Arg H H 8.43 . 1 242 31 Arg HA H 4.12 . 1 243 31 Arg HB2 H 1.79 . 2 244 31 Arg HB3 H 1.79 . 2 245 31 Arg HG2 H 1.71 . 2 246 31 Arg HG3 H 1.62 . 2 247 31 Arg HD2 H 3.19 . 2 248 31 Arg HD3 H 3.18 . 2 249 31 Arg CA C 57.5 . 1 250 31 Arg CB C 29.7 . 1 251 31 Arg CG C 27.1 . 1 252 31 Arg CD C 43.3 . 1 253 31 Arg N N 124.6 . 1 254 32 Gly H H 8.70 . 1 255 32 Gly HA2 H 4.02 . 2 256 32 Gly HA3 H 3.78 . 2 257 32 Gly CA C 45.2 . 1 258 32 Gly N N 110.7 . 1 259 33 Ile H H 7.26 . 1 260 33 Ile HA H 4.03 . 1 261 33 Ile HB H 1.90 . 1 262 33 Ile HG12 H 1.11 . 2 263 33 Ile HG13 H 1.51 . 2 264 33 Ile HG2 H 0.67 . 1 265 33 Ile HD1 H 0.91 . 1 266 33 Ile CA C 61.1 . 1 267 33 Ile CB C 37.8 . 1 268 33 Ile CG1 C 28.8 . 1 269 33 Ile CG2 C 17.1 . 1 270 33 Ile CD1 C 13.9 . 1 271 33 Ile N N 121.9 . 1 272 34 Asn H H 9.21 . 1 273 34 Asn HA H 4.82 . 1 274 34 Asn HB2 H 2.98 . 2 275 34 Asn HB3 H 2.59 . 2 276 34 Asn HD21 H 7.73 . 2 277 34 Asn HD22 H 7.00 . 2 278 34 Asn CA C 50.6 . 1 279 34 Asn CB C 38.1 . 1 280 34 Asn N N 126.9 . 1 281 34 Asn ND2 N 111.8 . 1 282 35 Leu H H 8.56 . 1 283 35 Leu HA H 3.75 . 1 284 35 Leu HB2 H 1.06 . 2 285 35 Leu HB3 H 1.58 . 2 286 35 Leu HG H 1.42 . 1 287 35 Leu HD1 H 0.60 . 2 288 35 Leu HD2 H 0.07 . 2 289 35 Leu CA C 56.6 . 1 290 35 Leu CB C 41.4 . 1 291 35 Leu CG C 26.3 . 1 292 35 Leu CD1 C 25.4 . 1 293 35 Leu CD2 C 20.8 . 1 294 35 Leu N N 123.0 . 1 295 36 Arg H H 8.25 . 1 296 36 Arg HA H 3.75 . 1 297 36 Arg HB2 H 1.83 . 2 298 36 Arg HB3 H 1.92 . 2 299 36 Arg HG2 H 1.54 . 2 300 36 Arg HG3 H 1.54 . 2 301 36 Arg HD2 H 3.06 . 2 302 36 Arg HD3 H 3.21 . 2 303 36 Arg HE H 7.33 . 1 304 36 Arg CA C 59.9 . 1 305 36 Arg CB C 28.3 . 1 306 36 Arg CG C 27.2 . 1 307 36 Arg CD C 42.5 . 1 308 36 Arg N N 121.6 . 1 309 36 Arg NE N 82.8 . 1 310 37 Lys H H 7.19 . 1 311 37 Lys HA H 3.94 . 1 312 37 Lys HB2 H 1.67 . 2 313 37 Lys HB3 H 1.66 . 2 314 37 Lys HG2 H 1.28 . 2 315 37 Lys HG3 H 1.36 . 2 316 37 Lys HD2 H 1.59 . 2 317 37 Lys HD3 H 1.61 . 2 318 37 Lys HE2 H 2.84 . 2 319 37 Lys HE3 H 2.90 . 2 320 37 Lys CA C 58.0 . 1 321 37 Lys CB C 32.0 . 1 322 37 Lys CG C 24.8 . 1 323 37 Lys CD C 28.9 . 1 324 37 Lys CE C 41.8 . 1 325 37 Lys N N 118.1 . 1 326 38 Ile H H 6.76 . 1 327 38 Ile HA H 3.62 . 1 328 38 Ile HB H 2.11 . 1 329 38 Ile HG12 H 1.62 . 2 330 38 Ile HG13 H 0.99 . 2 331 38 Ile HG2 H 0.77 . 1 332 38 Ile HD1 H 0.57 . 1 333 38 Ile CA C 62.0 . 1 334 38 Ile CB C 34.1 . 1 335 38 Ile CG1 C 26.1 . 1 336 38 Ile CG2 C 17.6 . 1 337 38 Ile CD1 C 10.6 . 1 338 38 Ile N N 115.5 . 1 339 39 Ala H H 8.12 . 1 340 39 Ala HA H 3.70 . 1 341 39 Ala HB H 1.44 . 1 342 39 Ala CA C 55.9 . 1 343 39 Ala CB C 17.4 . 1 344 39 Ala N N 120.9 . 1 345 40 Glu H H 8.39 . 1 346 40 Glu HA H 3.87 . 1 347 40 Glu HB2 H 2.20 . 2 348 40 Glu HB3 H 2.04 . 2 349 40 Glu HG2 H 2.20 . 2 350 40 Glu HG3 H 2.42 . 2 351 40 Glu CA C 58.6 . 1 352 40 Glu CB C 29.5 . 1 353 40 Glu CG C 36.0 . 1 354 40 Glu N N 120.2 . 1 355 41 Leu H H 7.48 . 1 356 41 Leu HA H 4.23 . 1 357 41 Leu HB2 H 2.11 . 2 358 41 Leu HB3 H 1.74 . 2 359 41 Leu HG H 2.04 . 1 360 41 Leu HD1 H 0.90 . 2 361 41 Leu HD2 H 0.87 . 2 362 41 Leu CA C 55.0 . 1 363 41 Leu CB C 43.5 . 1 364 41 Leu CG C 25.9 . 1 365 41 Leu CD1 C 25.3 . 1 366 41 Leu CD2 C 22.2 . 1 367 41 Leu N N 117.6 . 1 368 42 Met H H 7.00 . 1 369 42 Met HA H 4.85 . 1 370 42 Met HB2 H 1.71 . 2 371 42 Met HB3 H 2.27 . 2 372 42 Met HG2 H 2.29 . 2 373 42 Met HG3 H 2.86 . 2 374 42 Met HE H 1.91 . 1 375 42 Met CA C 53.3 . 1 376 42 Met CB C 34.7 . 1 377 42 Met CG C 32.2 . 1 378 42 Met CE C 18.4 . 1 379 42 Met N N 114.9 . 1 380 43 Pro HA H 4.17 . 1 381 43 Pro HB2 H 1.91 . 2 382 43 Pro HB3 H 2.08 . 2 383 43 Pro HG2 H 2.06 . 2 384 43 Pro HG3 H 1.95 . 2 385 43 Pro HD2 H 3.49 . 2 386 43 Pro HD3 H 3.43 . 2 387 43 Pro CA C 64.3 . 1 388 43 Pro CB C 30.5 . 1 389 43 Pro CG C 27.7 . 1 390 43 Pro CD C 49.6 . 1 391 44 Gly H H 8.00 . 1 392 44 Gly HA2 H 3.64 . 2 393 44 Gly HA3 H 4.01 . 2 394 44 Gly CA C 45.2 . 1 395 44 Gly N N 110.6 . 1 396 45 Ala H H 7.40 . 1 397 45 Ala HA H 4.49 . 1 398 45 Ala HB H 1.46 . 1 399 45 Ala CA C 51.7 . 1 400 45 Ala CB C 21.4 . 1 401 45 Ala N N 122.0 . 1 402 46 Ser H H 9.32 . 1 403 46 Ser HA H 4.66 . 1 404 46 Ser HB2 H 3.91 . 2 405 46 Ser HB3 H 4.36 . 2 406 46 Ser CA C 56.3 . 1 407 46 Ser CB C 65.5 . 1 408 46 Ser N N 117.0 . 1 409 47 Gly H H 9.16 . 1 410 47 Gly HA2 H 3.64 . 2 411 47 Gly HA3 H 4.09 . 2 412 47 Gly CA C 47.8 . 1 413 47 Gly N N 108.2 . 1 414 48 Ala H H 8.30 . 1 415 48 Ala HA H 4.04 . 1 416 48 Ala HB H 1.38 . 1 417 48 Ala CA C 54.8 . 1 418 48 Ala CB C 18.0 . 1 419 48 Ala N N 123.1 . 1 420 49 Glu H H 7.83 . 1 421 49 Glu HA H 3.96 . 1 422 49 Glu HB2 H 2.48 . 2 423 49 Glu HB3 H 1.78 . 2 424 49 Glu HG2 H 2.20 . 2 425 49 Glu HG3 H 2.27 . 2 426 49 Glu CA C 59.0 . 1 427 49 Glu CB C 29.3 . 1 428 49 Glu CG C 37.6 . 1 429 49 Glu N N 121.3 . 1 430 50 Val H H 8.05 . 1 431 50 Val HA H 3.43 . 1 432 50 Val HB H 2.22 . 1 433 50 Val HG1 H 0.99 . 2 434 50 Val HG2 H 1.07 . 2 435 50 Val CA C 66.9 . 1 436 50 Val CB C 30.8 . 1 437 50 Val CG1 C 23.0 . 1 438 50 Val CG2 C 21.8 . 1 439 50 Val N N 119.3 . 1 440 51 Lys H H 7.91 . 1 441 51 Lys HA H 3.52 . 1 442 51 Lys HB2 H 1.64 . 2 443 51 Lys HB3 H 1.32 . 2 444 51 Lys HG2 H 0.76 . 2 445 51 Lys HG3 H 0.76 . 2 446 51 Lys HD2 H 1.30 . 2 447 51 Lys HD3 H 1.30 . 2 448 51 Lys HE2 H 2.71 . 2 449 51 Lys HE3 H 2.71 . 2 450 51 Lys CA C 60.3 . 1 451 51 Lys CB C 31.9 . 1 452 51 Lys CG C 24.6 . 1 453 51 Lys CD C 29.2 . 1 454 51 Lys CE C 41.8 . 1 455 51 Lys N N 119.0 . 1 456 52 Gly H H 8.20 . 1 457 52 Gly HA2 H 3.87 . 2 458 52 Gly HA3 H 3.81 . 2 459 52 Gly CA C 46.6 . 1 460 52 Gly N N 107.5 . 1 461 53 Val H H 8.17 . 1 462 53 Val HA H 3.57 . 1 463 53 Val HB H 2.47 . 1 464 53 Val HG1 H 1.09 . 2 465 53 Val HG2 H 1.16 . 2 466 53 Val CA C 66.6 . 1 467 53 Val CB C 31.3 . 1 468 53 Val CG1 C 21.3 . 1 469 53 Val CG2 C 24.3 . 1 470 53 Val N N 123.2 . 1 471 54 Cys H H 7.42 . 1 472 54 Cys HA H 3.96 . 1 473 54 Cys HB2 H 2.91 . 2 474 54 Cys HB3 H 3.35 . 2 475 54 Cys HG H 2.44 . 1 476 54 Cys CA C 63.8 . 1 477 54 Cys CB C 26.6 . 1 478 54 Cys N N 117.5 . 1 479 55 Thr H H 7.94 . 1 480 55 Thr HA H 3.82 . 1 481 55 Thr HB H 4.20 . 1 482 55 Thr HG2 H 1.15 . 1 483 55 Thr CA C 65.5 . 1 484 55 Thr CB C 68.5 . 1 485 55 Thr CG2 C 21.7 . 1 486 55 Thr N N 115.5 . 1 487 56 Glu H H 8.43 . 1 488 56 Glu HA H 3.88 . 1 489 56 Glu HB2 H 1.92 . 2 490 56 Glu HB3 H 1.84 . 2 491 56 Glu HG2 H 2.25 . 2 492 56 Glu HG3 H 2.04 . 2 493 56 Glu CA C 58.3 . 1 494 56 Glu CB C 28.5 . 1 495 56 Glu CG C 34.8 . 1 496 56 Glu N N 121.9 . 1 497 57 Ala H H 8.36 . 1 498 57 Ala HA H 3.76 . 1 499 57 Ala HB H 0.43 . 1 500 57 Ala CA C 55.2 . 1 501 57 Ala CB C 16.1 . 1 502 57 Ala N N 122.3 . 1 503 58 Gly H H 7.36 . 1 504 58 Gly HA2 H 3.70 . 2 505 58 Gly HA3 H 3.84 . 2 506 58 Gly CA C 46.5 . 1 507 58 Gly N N 99.8 . 1 508 59 Met H H 7.61 . 1 509 59 Met HA H 4.26 . 1 510 59 Met HB2 H 1.90 . 2 511 59 Met HB3 H 2.14 . 2 512 59 Met HG2 H 2.53 . 2 513 59 Met HG3 H 2.59 . 2 514 59 Met HE H 1.94 . 1 515 59 Met CA C 57.3 . 1 516 59 Met CB C 30.8 . 1 517 59 Met CG C 31.8 . 1 518 59 Met CE C 16.6 . 1 519 59 Met N N 121.5 . 1 520 60 Tyr H H 7.98 . 1 521 60 Tyr HA H 4.14 . 1 522 60 Tyr HB2 H 3.01 . 2 523 60 Tyr HB3 H 3.10 . 2 524 60 Tyr HD1 H 7.17 . 3 525 60 Tyr HD2 H 7.17 . 3 526 60 Tyr HE1 H 6.60 . 3 527 60 Tyr HE2 H 6.60 . 3 528 60 Tyr CA C 61.6 . 1 529 60 Tyr CB C 37.0 . 1 530 60 Tyr CD1 C 132.8 . 1 531 60 Tyr CE1 C 118.9 . 1 532 60 Tyr N N 121.1 . 1 533 61 Ala H H 7.21 . 1 534 61 Ala HA H 4.01 . 1 535 61 Ala HB H 1.39 . 1 536 61 Ala CA C 55.4 . 1 537 61 Ala CB C 18.3 . 1 538 61 Ala N N 120.4 . 1 539 62 Leu H H 7.71 . 1 540 62 Leu HA H 4.14 . 1 541 62 Leu HB2 H 1.74 . 2 542 62 Leu HB3 H 1.74 . 2 543 62 Leu HG H 1.63 . 1 544 62 Leu HD1 H 0.89 . 2 545 62 Leu HD2 H 0.87 . 2 546 62 Leu CA C 57.9 . 1 547 62 Leu CB C 41.8 . 1 548 62 Leu CG C 26.8 . 1 549 62 Leu CD1 C 24.0 . 1 550 62 Leu CD2 C 24.4 . 1 551 62 Leu N N 118.1 . 1 552 63 Arg H H 8.43 . 1 553 63 Arg HA H 4.03 . 1 554 63 Arg HB2 H 1.98 . 2 555 63 Arg HB3 H 1.98 . 2 556 63 Arg HG2 H 1.82 . 2 557 63 Arg HG3 H 1.70 . 2 558 63 Arg HD2 H 3.09 . 2 559 63 Arg HD3 H 3.19 . 2 560 63 Arg HE H 7.27 . 1 561 63 Arg CA C 59.0 . 1 562 63 Arg CB C 30.0 . 1 563 63 Arg CG C 27.9 . 1 564 63 Arg CD C 43.5 . 1 565 63 Arg N N 120.8 . 1 566 63 Arg NE N 84.4 . 1 567 64 Glu H H 7.34 . 1 568 64 Glu HA H 4.33 . 1 569 64 Glu HB2 H 2.39 . 2 570 64 Glu HB3 H 1.86 . 2 571 64 Glu HG2 H 2.28 . 2 572 64 Glu HG3 H 2.52 . 2 573 64 Glu CA C 55.6 . 1 574 64 Glu CB C 29.8 . 1 575 64 Glu CG C 37.1 . 1 576 64 Glu N N 116.8 . 1 577 65 Arg H H 8.10 . 1 578 65 Arg HA H 3.84 . 1 579 65 Arg HB2 H 1.95 . 2 580 65 Arg HB3 H 2.06 . 2 581 65 Arg HG2 H 1.56 . 2 582 65 Arg HG3 H 1.56 . 2 583 65 Arg HD2 H 3.23 . 2 584 65 Arg HD3 H 3.19 . 2 585 65 Arg CA C 56.7 . 1 586 65 Arg CB C 26.1 . 1 587 65 Arg CG C 27.3 . 1 588 65 Arg CD C 43.1 . 1 589 65 Arg N N 115.9 . 1 590 66 Arg H H 8.20 . 1 591 66 Arg HA H 4.58 . 1 592 66 Arg HB2 H 1.79 . 2 593 66 Arg HB3 H 1.87 . 2 594 66 Arg HG2 H 1.63 . 2 595 66 Arg HG3 H 1.63 . 2 596 66 Arg HD2 H 3.19 . 2 597 66 Arg HD3 H 3.34 . 2 598 66 Arg HE H 7.38 . 1 599 66 Arg CA C 55.0 . 1 600 66 Arg CB C 33.3 . 1 601 66 Arg CG C 30.5 . 1 602 66 Arg CD C 43.0 . 1 603 66 Arg N N 118.0 . 1 604 66 Arg NE N 83.2 . 1 605 67 Val H H 8.25 . 1 606 67 Val HA H 3.89 . 1 607 67 Val HB H 1.90 . 1 608 67 Val HG1 H 0.59 . 2 609 67 Val HG2 H 0.80 . 2 610 67 Val CA C 63.0 . 1 611 67 Val CB C 32.1 . 1 612 67 Val CG1 C 20.6 . 1 613 67 Val CG2 C 20.3 . 1 614 67 Val N N 117.6 . 1 615 68 His H H 7.50 . 1 616 68 His HA H 5.08 . 1 617 68 His HB2 H 2.89 . 2 618 68 His HB3 H 2.89 . 2 619 68 His HD2 H 6.81 . 1 620 68 His CA C 54.9 . 1 621 68 His CB C 31.5 . 1 622 68 His CD2 C 119.8 . 1 623 68 His N N 116.5 . 1 624 69 Val H H 8.56 . 1 625 69 Val HA H 4.33 . 1 626 69 Val HB H 1.94 . 1 627 69 Val HG1 H 0.95 . 2 628 69 Val HG2 H 0.97 . 2 629 69 Val CA C 61.5 . 1 630 69 Val CB C 32.8 . 1 631 69 Val CG1 C 22.7 . 1 632 69 Val CG2 C 21.9 . 1 633 69 Val N N 123.6 . 1 634 70 Thr H H 9.72 . 1 635 70 Thr HA H 4.79 . 1 636 70 Thr HB H 4.77 . 1 637 70 Thr HG2 H 1.26 . 1 638 70 Thr CA C 60.2 . 1 639 70 Thr CB C 72.5 . 1 640 70 Thr CG2 C 21.7 . 1 641 70 Thr N N 119.1 . 1 642 71 Gln H H 9.12 . 1 643 71 Gln HA H 3.83 . 1 644 71 Gln HB2 H 1.88 . 2 645 71 Gln HB3 H 2.35 . 2 646 71 Gln HG2 H 2.23 . 2 647 71 Gln HG3 H 2.47 . 2 648 71 Gln HE21 H 6.51 . 2 649 71 Gln HE22 H 8.18 . 2 650 71 Gln CA C 59.4 . 1 651 71 Gln CB C 27.8 . 1 652 71 Gln CG C 31.5 . 1 653 71 Gln N N 121.2 . 1 654 71 Gln NE2 N 109.1 . 1 655 72 Glu H H 8.51 . 1 656 72 Glu HA H 3.94 . 1 657 72 Glu HB2 H 2.05 . 2 658 72 Glu HB3 H 1.88 . 2 659 72 Glu HG2 H 2.21 . 2 660 72 Glu HG3 H 2.38 . 2 661 72 Glu CA C 60.1 . 1 662 72 Glu CB C 28.7 . 1 663 72 Glu CG C 37.2 . 1 664 72 Glu N N 117.9 . 1 665 73 Asp H H 7.83 . 1 666 73 Asp HA H 4.12 . 1 667 73 Asp HB2 H 3.14 . 2 668 73 Asp HB3 H 2.89 . 2 669 73 Asp CA C 58.0 . 1 670 73 Asp CB C 40.2 . 1 671 73 Asp N N 121.4 . 1 672 74 Phe H H 7.48 . 1 673 74 Phe HA H 4.03 . 1 674 74 Phe HB2 H 2.76 . 2 675 74 Phe HB3 H 3.13 . 2 676 74 Phe HD1 H 7.15 . 3 677 74 Phe HD2 H 7.15 . 3 678 74 Phe HE1 H 7.24 . 3 679 74 Phe HE2 H 7.24 . 3 680 74 Phe HZ H 7.15 . 1 681 74 Phe CA C 62.6 . 1 682 74 Phe CB C 40.3 . 1 683 74 Phe CD1 C 131.4 . 1 684 74 Phe CE1 C 131.3 . 1 685 74 Phe CZ C 128.4 . 1 686 74 Phe N N 116.0 . 1 687 75 Glu H H 8.62 . 1 688 75 Glu HA H 3.73 . 1 689 75 Glu HB2 H 1.97 . 2 690 75 Glu HB3 H 2.11 . 2 691 75 Glu HG2 H 1.96 . 2 692 75 Glu HG3 H 2.57 . 2 693 75 Glu CA C 60.6 . 1 694 75 Glu CB C 28.8 . 1 695 75 Glu CG C 37.4 . 1 696 75 Glu N N 119.5 . 1 697 76 Met H H 8.71 . 1 698 76 Met HA H 4.07 . 1 699 76 Met HB2 H 1.72 . 2 700 76 Met HB3 H 1.63 . 2 701 76 Met HG2 H 2.31 . 2 702 76 Met HG3 H 2.53 . 2 703 76 Met HE H 1.79 . 1 704 76 Met CA C 58.3 . 1 705 76 Met CB C 31.9 . 1 706 76 Met CG C 32.1 . 1 707 76 Met CE C 16.3 . 1 708 76 Met N N 120.3 . 1 709 77 Ala H H 8.00 . 1 710 77 Ala HA H 4.20 . 1 711 77 Ala HB H 1.67 . 1 712 77 Ala CA C 55.4 . 1 713 77 Ala CB C 20.5 . 1 714 77 Ala N N 123.4 . 1 715 78 Val H H 8.60 . 1 716 78 Val HA H 3.42 . 1 717 78 Val HB H 2.23 . 1 718 78 Val HG1 H 0.91 . 2 719 78 Val HG2 H 1.28 . 2 720 78 Val CA C 67.0 . 1 721 78 Val CB C 31.3 . 1 722 78 Val CG1 C 22.2 . 1 723 78 Val CG2 C 24.3 . 1 724 78 Val N N 118.9 . 1 725 79 Ala H H 7.29 . 1 726 79 Ala HA H 4.03 . 1 727 79 Ala HB H 1.47 . 1 728 79 Ala CA C 54.7 . 1 729 79 Ala CB C 17.5 . 1 730 79 Ala N N 119.6 . 1 731 80 Lys H H 7.69 . 1 732 80 Lys HA H 4.09 . 1 733 80 Lys HB2 H 2.05 . 2 734 80 Lys HB3 H 1.94 . 2 735 80 Lys HG2 H 1.40 . 2 736 80 Lys HG3 H 1.45 . 2 737 80 Lys HD2 H 1.56 . 2 738 80 Lys HD3 H 1.70 . 2 739 80 Lys HE2 H 2.90 . 2 740 80 Lys HE3 H 2.92 . 2 741 80 Lys CA C 58.4 . 1 742 80 Lys CB C 32.8 . 1 743 80 Lys CG C 24.5 . 1 744 80 Lys CD C 28.9 . 1 745 80 Lys CE C 41.8 . 1 746 80 Lys N N 116.9 . 1 747 81 Val H H 8.38 . 1 748 81 Val HA H 3.73 . 1 749 81 Val HB H 1.93 . 1 750 81 Val HG1 H 0.96 . 2 751 81 Val HG2 H 0.94 . 2 752 81 Val CA C 65.2 . 1 753 81 Val CB C 32.4 . 1 754 81 Val CG1 C 20.6 . 1 755 81 Val CG2 C 22.4 . 1 756 81 Val N N 118.8 . 1 757 82 Met H H 8.34 . 1 758 82 Met HA H 4.58 . 1 759 82 Met HB2 H 2.09 . 2 760 82 Met HB3 H 2.12 . 2 761 82 Met HG2 H 2.48 . 2 762 82 Met HG3 H 2.71 . 2 763 82 Met HE H 1.92 . 1 764 82 Met CA C 54.2 . 1 765 82 Met CB C 29.8 . 1 766 82 Met CG C 32.3 . 1 767 82 Met CE C 15.7 . 1 768 82 Met N N 114.8 . 1 769 83 Gln H H 7.50 . 1 770 83 Gln HA H 4.25 . 1 771 83 Gln HB2 H 2.15 . 2 772 83 Gln HB3 H 2.15 . 2 773 83 Gln HG2 H 2.38 . 2 774 83 Gln HG3 H 2.38 . 2 775 83 Gln HE21 H 6.81 . 2 776 83 Gln HE22 H 7.60 . 2 777 83 Gln CA C 56.0 . 1 778 83 Gln CB C 28.0 . 1 779 83 Gln CG C 33.7 . 1 780 83 Gln N N 119.1 . 1 781 83 Gln NE2 N 112.3 . 1 782 84 Lys H H 8.20 . 1 783 84 Lys HA H 4.35 . 1 784 84 Lys HB2 H 1.77 . 2 785 84 Lys HB3 H 1.87 . 2 786 84 Lys HG2 H 1.43 . 2 787 84 Lys HG3 H 1.43 . 2 788 84 Lys HD2 H 1.66 . 2 789 84 Lys HD3 H 1.66 . 2 790 84 Lys HE2 H 2.98 . 2 791 84 Lys HE3 H 2.97 . 2 792 84 Lys CA C 55.9 . 1 793 84 Lys CB C 33.0 . 1 794 84 Lys CG C 24.4 . 1 795 84 Lys CD C 28.9 . 1 796 84 Lys CE C 41.8 . 1 797 84 Lys N N 122.1 . 1 798 85 Asp H H 8.45 . 1 799 85 Asp HA H 4.66 . 1 800 85 Asp HB2 H 2.61 . 2 801 85 Asp HB3 H 2.72 . 2 802 85 Asp CA C 54.1 . 1 803 85 Asp CB C 41.0 . 1 804 85 Asp N N 121.8 . 1 805 86 Ser H H 7.86 . 1 806 86 Ser HA H 4.21 . 1 807 86 Ser HB2 H 3.82 . 2 808 86 Ser HB3 H 3.82 . 2 809 86 Ser CA C 59.5 . 1 810 86 Ser CB C 64.7 . 1 811 86 Ser N N 121.0 . 1 stop_ save_