1 1 Glu HA H 4.33 . 1 2 1 Glu HB2 H 1.88 . 2 3 1 Glu HB3 H 2.04 . 2 4 1 Glu HG2 H 2.23 . 2 5 1 Glu HG3 H 2.23 . 2 6 1 Glu CA C 56.2 . 1 7 1 Glu CB C 30.1 . 1 8 1 Glu CG C 36.0 . 1 9 2 Asp H H 8.56 . 1 10 2 Asp HA H 4.85 . 1 11 2 Asp HB2 H 2.52 . 2 12 2 Asp HB3 H 2.76 . 2 13 2 Asp CA C 52.2 . 1 14 2 Asp CB C 40.9 . 1 15 2 Asp N N 123.0 . 1 16 3 Pro HA H 4.38 . 1 17 3 Pro HB2 H 1.92 . 2 18 3 Pro HB3 H 2.29 . 2 19 3 Pro HG2 H 2.00 . 2 20 3 Pro HG3 H 2.00 . 2 21 3 Pro HD2 H 3.78 . 2 22 3 Pro HD3 H 3.86 . 2 23 3 Pro CA C 63.5 . 1 24 3 Pro CB C 32.1 . 1 25 3 Pro CG C 27.1 . 1 26 3 Pro CD C 50.7 . 1 27 4 Glu H H 8.41 . 1 28 4 Glu HA H 4.25 . 1 29 4 Glu HB2 H 1.89 . 2 30 4 Glu HB3 H 2.06 . 2 31 4 Glu HG2 H 2.19 . 2 32 4 Glu HG3 H 2.29 . 2 33 4 Glu CA C 55.9 . 1 34 4 Glu CB C 30.1 . 1 35 4 Glu CG C 36.2 . 1 36 4 Glu N N 118.3 . 1 37 5 Asp H H 8.03 . 1 38 5 Asp HA H 4.73 . 1 39 5 Asp HB2 H 2.84 . 2 40 5 Asp HB3 H 2.82 . 2 41 5 Asp CA C 52.6 . 1 42 5 Asp CB C 41.7 . 1 43 5 Asp N N 123.7 . 1 44 6 Pro HA H 3.94 . 1 45 6 Pro HB2 H 0.94 . 2 46 6 Pro HB3 H 1.61 . 2 47 6 Pro HG2 H 1.77 . 2 48 6 Pro HG3 H 1.84 . 2 49 6 Pro HD2 H 3.75 . 2 50 6 Pro HD3 H 3.88 . 2 51 6 Pro CA C 64.9 . 1 52 6 Pro CB C 31.0 . 1 53 6 Pro CG C 27.3 . 1 54 6 Pro CD C 50.8 . 1 55 7 Phe H H 8.13 . 1 56 7 Phe HA H 4.22 . 1 57 7 Phe HB2 H 3.05 . 2 58 7 Phe HB3 H 3.31 . 2 59 7 Phe HD1 H 7.33 . 3 60 7 Phe HD2 H 7.33 . 3 61 7 Phe HE1 H 7.37 . 3 62 7 Phe HE2 H 7.37 . 3 63 7 Phe HZ H 7.32 . 1 64 7 Phe CA C 60.8 . 1 65 7 Phe CB C 38.3 . 1 66 7 Phe CD1 C 131.9 . 1 67 7 Phe CE1 C 131.2 . 1 68 7 Phe CZ C 129.5 . 1 69 7 Phe N N 117.2 . 1 70 8 Thr H H 7.83 . 1 71 8 Thr HA H 3.71 . 1 72 8 Thr HB H 4.25 . 1 73 8 Thr HG2 H 1.19 . 1 74 8 Thr CA C 66.2 . 1 75 8 Thr CB C 68.3 . 1 76 8 Thr CG2 C 21.8 . 1 77 8 Thr N N 115.7 . 1 78 9 Arg H H 7.30 . 1 79 9 Arg HA H 3.84 . 1 80 9 Arg HB2 H 1.69 . 2 81 9 Arg HB3 H 1.83 . 2 82 9 Arg HG2 H 1.58 . 2 83 9 Arg HG3 H 1.65 . 2 84 9 Arg HD2 H 3.04 . 2 85 9 Arg HD3 H 3.19 . 2 86 9 Arg HE H 6.71 . 1 87 9 Arg CA C 59.7 . 1 88 9 Arg CB C 30.4 . 1 89 9 Arg CG C 28.0 . 1 90 9 Arg CD C 43.7 . 1 91 9 Arg N N 121.4 . 1 92 9 Arg NE N 85.1 . 1 93 10 Tyr H H 8.48 . 1 94 10 Tyr HA H 3.80 . 1 95 10 Tyr HB2 H 2.95 . 2 96 10 Tyr HB3 H 3.13 . 2 97 10 Tyr HD1 H 7.05 . 3 98 10 Tyr HD2 H 7.05 . 3 99 10 Tyr HE1 H 6.78 . 3 100 10 Tyr HE2 H 6.78 . 3 101 10 Tyr CA C 61.4 . 1 102 10 Tyr CB C 38.3 . 1 103 10 Tyr CD1 C 133.3 . 1 104 10 Tyr CE1 C 117.9 . 1 105 10 Tyr N N 121.7 . 1 106 11 Ala H H 8.50 . 1 107 11 Ala HA H 3.70 . 1 108 11 Ala HB H 1.14 . 1 109 11 Ala CA C 54.4 . 1 110 11 Ala CB C 17.3 . 1 111 11 Ala N N 121.7 . 1 112 12 Leu H H 7.69 . 1 113 12 Leu HA H 3.92 . 1 114 12 Leu HB2 H 1.61 . 2 115 12 Leu HB3 H 1.62 . 2 116 12 Leu HG H 1.42 . 1 117 12 Leu HD1 H 0.73 . 2 118 12 Leu HD2 H 0.83 . 2 119 12 Leu CA C 57.1 . 1 120 12 Leu CB C 41.5 . 1 121 12 Leu CG C 26.4 . 1 122 12 Leu CD1 C 23.3 . 1 123 12 Leu CD2 C 24.5 . 1 124 12 Leu N N 120.9 . 1 125 13 Ala H H 8.01 . 1 126 13 Ala HA H 3.50 . 1 127 13 Ala HB H 0.55 . 1 128 13 Ala CA C 55.4 . 1 129 13 Ala CB C 17.4 . 1 130 13 Ala N N 123.0 . 1 131 14 Gln H H 7.66 . 1 132 14 Gln HA H 3.91 . 1 133 14 Gln HB2 H 1.86 . 2 134 14 Gln HB3 H 1.89 . 2 135 14 Gln HG2 H 1.75 . 2 136 14 Gln HG3 H 2.01 . 2 137 14 Gln HE21 H 5.54 . 2 138 14 Gln HE22 H 5.21 . 2 139 14 Gln CA C 58.2 . 1 140 14 Gln CB C 27.7 . 1 141 14 Gln CG C 32.2 . 1 142 14 Gln N N 114.0 . 1 143 14 Gln NE2 N 105.5 . 1 144 15 Glu H H 7.90 . 1 145 15 Glu HA H 3.90 . 1 146 15 Glu HB2 H 1.96 . 2 147 15 Glu HB3 H 1.96 . 2 148 15 Glu HG2 H 2.10 . 2 149 15 Glu HG3 H 2.10 . 2 150 15 Glu CA C 58.8 . 1 151 15 Glu CB C 28.6 . 1 152 15 Glu CG C 35.5 . 1 153 15 Glu N N 122.4 . 1 154 16 His H H 8.22 . 1 155 16 His HA H 4.52 . 1 156 16 His HB2 H 2.97 . 2 157 16 His HB3 H 3.21 . 2 158 16 His HD2 H 6.41 . 1 159 16 His HE1 H 7.64 . 1 160 16 His CA C 59.7 . 1 161 16 His CB C 29.6 . 1 162 16 His CD2 C 118.6 . 1 163 16 His CE1 C 139.2 . 1 164 16 His N N 119.1 . 1 165 17 Leu H H 8.09 . 1 166 17 Leu HA H 3.87 . 1 167 17 Leu HB2 H 1.72 . 2 168 17 Leu HB3 H 1.72 . 2 169 17 Leu HG H 1.65 . 1 170 17 Leu HD1 H 0.97 . 2 171 17 Leu HD2 H 0.92 . 2 172 17 Leu CA C 57.9 . 1 173 17 Leu CB C 41.4 . 1 174 17 Leu CG C 26.5 . 1 175 17 Leu CD1 C 24.9 . 1 176 17 Leu CD2 C 24.4 . 1 177 17 Leu N N 120.5 . 1 178 18 Lys H H 7.96 . 1 179 18 Lys HA H 4.03 . 1 180 18 Lys HB2 H 1.77 . 2 181 18 Lys HB3 H 1.77 . 2 182 18 Lys HG2 H 1.26 . 2 183 18 Lys HG3 H 1.45 . 2 184 18 Lys HD2 H 1.56 . 2 185 18 Lys HD3 H 1.58 . 2 186 18 Lys HE2 H 2.85 . 2 187 18 Lys HE3 H 2.84 . 2 188 18 Lys CA C 58.4 . 1 189 18 Lys CB C 31.8 . 1 190 18 Lys CG C 24.7 . 1 191 18 Lys CD C 28.9 . 1 192 18 Lys CE C 41.8 . 1 193 18 Lys N N 121.0 . 1 194 19 His H H 7.41 . 1 195 19 His HA H 4.72 . 1 196 19 His HB2 H 3.04 . 2 197 19 His HB3 H 3.58 . 2 198 19 His HD2 H 7.24 . 1 199 19 His CA C 54.7 . 1 200 19 His CB C 28.5 . 1 201 19 His CD2 C 120.0 . 1 202 19 His N N 115.8 . 1 203 20 Asp H H 8.01 . 1 204 20 Asp HA H 4.37 . 1 205 20 Asp HB2 H 2.61 . 2 206 20 Asp HB3 H 3.14 . 2 207 20 Asp CA C 55.6 . 1 208 20 Asp CB C 39.6 . 1 209 20 Asp N N 115.9 . 1 210 21 Asn H H 8.45 . 1 211 21 Asn HA H 5.13 . 1 212 21 Asn HB2 H 2.65 . 2 213 21 Asn HB3 H 3.06 . 2 214 21 Asn HD21 H 6.78 . 2 215 21 Asn HD22 H 7.82 . 2 216 21 Asn CA C 50.6 . 1 217 21 Asn CB C 37.0 . 1 218 21 Asn N N 118.7 . 1 219 21 Asn ND2 N 112.2 . 1 220 22 Ala H H 8.01 . 1 221 22 Ala HA H 3.84 . 1 222 22 Ala HB H 1.41 . 1 223 22 Ala CA C 55.3 . 1 224 22 Ala CB C 18.3 . 1 225 22 Ala N N 123.3 . 1 226 23 Ser H H 8.67 . 1 227 23 Ser HA H 4.07 . 1 228 23 Ser HB2 H 3.89 . 2 229 23 Ser HB3 H 3.87 . 2 230 23 Ser CA C 61.8 . 1 231 23 Ser CB C 61.9 . 1 232 23 Ser N N 112.5 . 1 233 24 Arg H H 7.23 . 1 234 24 Arg HA H 3.96 . 1 235 24 Arg HB2 H 0.90 . 2 236 24 Arg HB3 H 1.13 . 2 237 24 Arg HG2 H 1.03 . 2 238 24 Arg HG3 H 1.16 . 2 239 24 Arg HD2 H 2.79 . 2 240 24 Arg HD3 H 2.93 . 2 241 24 Arg CA C 57.0 . 1 242 24 Arg CB C 29.1 . 1 243 24 Arg CG C 25.9 . 1 244 24 Arg CD C 42.2 . 1 245 24 Arg N N 122.3 . 1 246 25 Ala H H 7.34 . 1 247 25 Ala HA H 3.57 . 1 248 25 Ala HB H 1.25 . 1 249 25 Ala CA C 55.3 . 1 250 25 Ala CB C 18.7 . 1 251 25 Ala N N 120.2 . 1 252 26 Leu H H 8.42 . 1 253 26 Leu HA H 3.80 . 1 254 26 Leu HB2 H 1.47 . 2 255 26 Leu HB3 H 1.86 . 2 256 26 Leu HG H 1.37 . 1 257 26 Leu HD1 H 0.66 . 2 258 26 Leu HD2 H 0.87 . 2 259 26 Leu CA C 58.3 . 1 260 26 Leu CB C 41.8 . 1 261 26 Leu CG C 26.4 . 1 262 26 Leu CD1 C 24.3 . 1 263 26 Leu CD2 C 25.5 . 1 264 26 Leu N N 116.5 . 1 265 27 Ala H H 7.19 . 1 266 27 Ala HA H 4.12 . 1 267 27 Ala HB H 1.41 . 1 268 27 Ala CA C 54.7 . 1 269 27 Ala CB C 18.0 . 1 270 27 Ala N N 118.2 . 1 271 28 Leu H H 7.50 . 1 272 28 Leu HA H 4.07 . 1 273 28 Leu HB2 H 1.67 . 2 274 28 Leu HB3 H 1.11 . 2 275 28 Leu HG H 1.63 . 1 276 28 Leu HD1 H 0.74 . 2 277 28 Leu HD2 H 0.86 . 2 278 28 Leu CA C 57.6 . 1 279 28 Leu CB C 43.1 . 1 280 28 Leu CG C 27.0 . 1 281 28 Leu CD1 C 26.1 . 1 282 28 Leu CD2 C 23.1 . 1 283 28 Leu N N 118.3 . 1 284 29 Phe H H 8.69 . 1 285 29 Phe HA H 4.63 . 1 286 29 Phe HB2 H 3.03 . 2 287 29 Phe HB3 H 3.08 . 2 288 29 Phe HD1 H 7.00 . 3 289 29 Phe HD2 H 7.00 . 3 290 29 Phe HE1 H 7.01 . 3 291 29 Phe HE2 H 7.01 . 3 292 29 Phe HZ H 6.72 . 1 293 29 Phe CA C 58.7 . 1 294 29 Phe CB C 40.3 . 1 295 29 Phe CD1 C 130.0 . 1 296 29 Phe CE1 C 130.7 . 1 297 29 Phe CZ C 128.8 . 1 298 29 Phe N N 119.0 . 1 299 30 Glu H H 8.99 . 1 300 30 Glu HA H 3.79 . 1 301 30 Glu HB2 H 1.88 . 2 302 30 Glu HB3 H 2.17 . 2 303 30 Glu HG2 H 2.18 . 2 304 30 Glu HG3 H 2.67 . 2 305 30 Glu CA C 60.1 . 1 306 30 Glu CB C 29.1 . 1 307 30 Glu CG C 37.9 . 1 308 30 Glu N N 117.4 . 1 309 31 Glu H H 7.83 . 1 310 31 Glu HA H 4.16 . 1 311 31 Glu HB2 H 2.13 . 2 312 31 Glu HB3 H 2.21 . 2 313 31 Glu HG2 H 2.36 . 2 314 31 Glu HG3 H 2.36 . 2 315 31 Glu CA C 58.8 . 1 316 31 Glu CB C 29.9 . 1 317 31 Glu CG C 36.6 . 1 318 31 Glu N N 119.5 . 1 319 32 Leu H H 7.92 . 1 320 32 Leu HA H 4.13 . 1 321 32 Leu HB2 H 1.63 . 2 322 32 Leu HB3 H 2.28 . 2 323 32 Leu HG H 1.66 . 1 324 32 Leu HD1 H 0.99 . 2 325 32 Leu HD2 H 0.88 . 2 326 32 Leu CA C 58.2 . 1 327 32 Leu CB C 43.0 . 1 328 32 Leu CG C 28.3 . 1 329 32 Leu CD1 C 24.4 . 1 330 32 Leu CD2 C 24.7 . 1 331 32 Leu N N 122.0 . 1 332 33 Val H H 7.46 . 1 333 33 Val HA H 3.59 . 1 334 33 Val HB H 2.03 . 1 335 33 Val HG1 H 0.92 . 2 336 33 Val HG2 H 0.75 . 2 337 33 Val CA C 65.8 . 1 338 33 Val CB C 31.5 . 1 339 33 Val CG1 C 21.5 . 1 340 33 Val CG2 C 22.1 . 1 341 33 Val N N 116.0 . 1 342 34 Glu H H 7.21 . 1 343 34 Glu HA H 4.13 . 1 344 34 Glu HB2 H 2.20 . 2 345 34 Glu HB3 H 2.21 . 2 346 34 Glu HG2 H 2.21 . 2 347 34 Glu HG3 H 2.37 . 2 348 34 Glu CA C 58.5 . 1 349 34 Glu CB C 29.9 . 1 350 34 Glu CG C 36.0 . 1 351 34 Glu N N 117.4 . 1 352 35 Thr H H 9.10 . 1 353 35 Thr HA H 4.18 . 1 354 35 Thr HB H 4.31 . 1 355 35 Thr HG2 H 1.29 . 1 356 35 Thr CA C 63.9 . 1 357 35 Thr CB C 69.3 . 1 358 35 Thr CG2 C 20.8 . 1 359 35 Thr N N 109.9 . 1 360 36 Asp H H 8.63 . 1 361 36 Asp HA H 5.30 . 1 362 36 Asp HB2 H 2.67 . 2 363 36 Asp HB3 H 2.52 . 2 364 36 Asp CA C 52.7 . 1 365 36 Asp CB C 42.4 . 1 366 36 Asp N N 122.8 . 1 367 37 Pro HA H 4.56 . 1 368 37 Pro HB2 H 2.71 . 2 369 37 Pro HB3 H 2.03 . 2 370 37 Pro HG2 H 2.09 . 2 371 37 Pro HG3 H 1.94 . 2 372 37 Pro HD2 H 3.34 . 2 373 37 Pro HD3 H 3.67 . 2 374 37 Pro CA C 64.4 . 1 375 37 Pro CB C 31.1 . 1 376 37 Pro CG C 27.1 . 1 377 37 Pro CD C 50.4 . 1 378 38 Asp H H 8.63 . 1 379 38 Asp HA H 4.57 . 1 380 38 Asp HB2 H 2.73 . 2 381 38 Asp HB3 H 2.73 . 2 382 38 Asp CA C 53.8 . 1 383 38 Asp CB C 39.5 . 1 384 38 Asp N N 113.7 . 1 385 39 Tyr H H 8.11 . 1 386 39 Tyr HA H 4.54 . 1 387 39 Tyr HB2 H 2.84 . 2 388 39 Tyr HB3 H 3.47 . 2 389 39 Tyr HD1 H 7.25 . 3 390 39 Tyr HD2 H 7.25 . 3 391 39 Tyr HE1 H 6.35 . 3 392 39 Tyr HE2 H 6.35 . 3 393 39 Tyr CA C 58.5 . 1 394 39 Tyr CB C 36.5 . 1 395 39 Tyr CD1 C 133.4 . 1 396 39 Tyr CE1 C 117.4 . 1 397 39 Tyr N N 123.7 . 1 398 40 Val H H 7.88 . 1 399 40 Val HA H 3.77 . 1 400 40 Val HB H 1.87 . 1 401 40 Val HG1 H 0.81 . 2 402 40 Val HG2 H 0.92 . 2 403 40 Val CA C 65.0 . 1 404 40 Val CB C 32.5 . 1 405 40 Val CG1 C 20.3 . 1 406 40 Val CG2 C 23.1 . 1 407 40 Val N N 128.1 . 1 408 41 Gly HA2 H 3.41 . 2 409 41 Gly H H 7.53 . 1 410 41 Gly HA3 H 3.88 . 2 411 41 Gly CA C 46.4 . 1 412 41 Gly N N 105.9 . 1 413 42 Thr H H 7.15 . 1 414 42 Thr HA H 3.58 . 1 415 42 Thr HB H 3.27 . 1 416 42 Thr HG1 H 5.58 . 1 417 42 Thr HG2 H 1.08 . 1 418 42 Thr CA C 65.6 . 1 419 42 Thr CB C 68.9 . 1 420 42 Thr CG2 C 25.5 . 1 421 42 Thr N N 111.9 . 1 422 43 Tyr H H 7.04 . 1 423 43 Tyr HA H 3.46 . 1 424 43 Tyr HB2 H 2.93 . 2 425 43 Tyr HB3 H 3.02 . 2 426 43 Tyr HD1 H 7.56 . 3 427 43 Tyr HD2 H 7.56 . 3 428 43 Tyr HE1 H 6.88 . 3 429 43 Tyr HE2 H 6.88 . 3 430 43 Tyr CA C 64.1 . 1 431 43 Tyr CB C 38.3 . 1 432 43 Tyr CD1 C 132.9 . 1 433 43 Tyr CE1 C 118.4 . 1 434 43 Tyr N N 113.5 . 1 435 44 Tyr H H 9.77 . 1 436 44 Tyr HA H 3.99 . 1 437 44 Tyr HB2 H 2.54 . 2 438 44 Tyr HB3 H 3.01 . 2 439 44 Tyr HD1 H 6.03 . 3 440 44 Tyr HD2 H 6.03 . 3 441 44 Tyr HE1 H 6.54 . 3 442 44 Tyr HE2 H 6.54 . 3 443 44 Tyr CA C 61.9 . 1 444 44 Tyr CB C 38.8 . 1 445 44 Tyr CD1 C 132.1 . 1 446 44 Tyr CE1 C 118.3 . 1 447 44 Tyr N N 119.8 . 1 448 45 His H H 6.38 . 1 449 45 His HA H 3.77 . 1 450 45 His HB2 H 2.17 . 2 451 45 His HB3 H 2.66 . 2 452 45 His HD2 H 7.82 . 1 453 45 His HE1 H 7.95 . 1 454 45 His CA C 58.5 . 1 455 45 His CB C 31.6 . 1 456 45 His CD2 C 120.3 . 1 457 45 His CE1 C 139.2 . 1 458 45 His N N 114.5 . 1 459 46 Leu H H 8.36 . 1 460 46 Leu HA H 3.66 . 1 461 46 Leu HB2 H 0.79 . 2 462 46 Leu HB3 H 1.48 . 2 463 46 Leu HG H 1.17 . 1 464 46 Leu HD1 H 0.39 . 2 465 46 Leu HD2 H 0.70 . 2 466 46 Leu CA C 57.1 . 1 467 46 Leu CB C 40.8 . 1 468 46 Leu CG C 26.7 . 1 469 46 Leu CD1 C 21.6 . 1 470 46 Leu CD2 C 25.8 . 1 471 46 Leu N N 121.1 . 1 472 47 Gly HA2 H 3.35 . 2 473 47 Gly H H 8.44 . 1 474 47 Gly HA3 H 3.53 . 2 475 47 Gly CA C 47.2 . 1 476 47 Gly N N 106.5 . 1 477 48 Lys H H 7.97 . 1 478 48 Lys HA H 3.80 . 1 479 48 Lys HB2 H 1.50 . 2 480 48 Lys HB3 H 1.83 . 2 481 48 Lys HG2 H 0.85 . 2 482 48 Lys HG3 H 1.17 . 2 483 48 Lys HD2 H 1.36 . 2 484 48 Lys HD3 H 1.51 . 2 485 48 Lys HE2 H 2.55 . 2 486 48 Lys HE3 H 2.81 . 2 487 48 Lys CA C 58.2 . 1 488 48 Lys CB C 31.6 . 1 489 48 Lys CG C 23.4 . 1 490 48 Lys CD C 28.2 . 1 491 48 Lys CE C 41.8 . 1 492 48 Lys N N 120.5 . 1 493 49 Leu H H 7.80 . 1 494 49 Leu HA H 4.17 . 1 495 49 Leu HB2 H 1.61 . 2 496 49 Leu HB3 H 1.86 . 2 497 49 Leu HG H 1.60 . 1 498 49 Leu HD1 H 0.99 . 2 499 49 Leu HD2 H 0.96 . 2 500 49 Leu CA C 57.5 . 1 501 49 Leu CB C 41.0 . 1 502 49 Leu CG C 27.0 . 1 503 49 Leu CD1 C 23.5 . 1 504 49 Leu CD2 C 26.2 . 1 505 49 Leu N N 124.0 . 1 506 50 Tyr H H 8.61 . 1 507 50 Tyr HA H 4.42 . 1 508 50 Tyr HB2 H 2.91 . 2 509 50 Tyr HB3 H 3.39 . 2 510 50 Tyr HD1 H 6.54 . 3 511 50 Tyr HD2 H 6.54 . 3 512 50 Tyr HE1 H 6.72 . 3 513 50 Tyr HE2 H 6.72 . 3 514 50 Tyr CA C 59.6 . 1 515 50 Tyr CB C 35.6 . 1 516 50 Tyr CD1 C 129.6 . 1 517 50 Tyr CE1 C 118.9 . 1 518 50 Tyr N N 119.0 . 1 519 51 Glu H H 8.41 . 1 520 51 Glu HA H 3.76 . 1 521 51 Glu HB2 H 2.24 . 2 522 51 Glu HB3 H 2.16 . 2 523 51 Glu HG2 H 1.89 . 2 524 51 Glu HG3 H 2.65 . 2 525 51 Glu CA C 61.6 . 1 526 51 Glu CB C 29.8 . 1 527 51 Glu CG C 38.4 . 1 528 51 Glu N N 118.6 . 1 529 52 Arg H H 7.91 . 1 530 52 Arg HA H 4.15 . 1 531 52 Arg HB2 H 2.17 . 2 532 52 Arg HB3 H 2.10 . 2 533 52 Arg HG2 H 1.67 . 2 534 52 Arg HG3 H 1.90 . 2 535 52 Arg HD2 H 3.13 . 2 536 52 Arg HD3 H 3.21 . 2 537 52 Arg CA C 58.6 . 1 538 52 Arg CB C 29.6 . 1 539 52 Arg CG C 26.9 . 1 540 52 Arg CD C 43.8 . 1 541 52 Arg N N 122.2 . 1 542 53 Leu H H 7.74 . 1 543 53 Leu HA H 4.40 . 1 544 53 Leu HB2 H 1.84 . 2 545 53 Leu HB3 H 1.77 . 2 546 53 Leu HG H 1.84 . 1 547 53 Leu HD1 H 0.91 . 2 548 53 Leu HD2 H 0.82 . 2 549 53 Leu CA C 54.1 . 1 550 53 Leu CB C 41.4 . 1 551 53 Leu CG C 26.3 . 1 552 53 Leu CD1 C 26.5 . 1 553 53 Leu CD2 C 21.6 . 1 554 53 Leu N N 119.4 . 1 555 54 Asp H H 8.09 . 1 556 54 Asp HA H 4.41 . 1 557 54 Asp HB2 H 2.69 . 2 558 54 Asp HB3 H 3.19 . 2 559 54 Asp CA C 55.5 . 1 560 54 Asp CB C 38.9 . 1 561 54 Asp N N 116.3 . 1 562 55 Arg H H 8.42 . 1 563 55 Arg HA H 4.68 . 1 564 55 Arg HB2 H 1.45 . 2 565 55 Arg HB3 H 2.19 . 2 566 55 Arg HG2 H 1.55 . 2 567 55 Arg HG3 H 1.72 . 2 568 55 Arg HD2 H 2.87 . 2 569 55 Arg HD3 H 3.48 . 2 570 55 Arg HE H 7.41 . 1 571 55 Arg CA C 54.0 . 1 572 55 Arg CB C 29.8 . 1 573 55 Arg CG C 24.6 . 1 574 55 Arg CD C 44.5 . 1 575 55 Arg N N 120.8 . 1 576 55 Arg NE N 83.1 . 1 577 56 Thr H H 7.87 . 1 578 56 Thr HA H 3.51 . 1 579 56 Thr HB H 3.96 . 1 580 56 Thr HG2 H 1.22 . 1 581 56 Thr CA C 67.5 . 1 582 56 Thr CB C 68.0 . 1 583 56 Thr CG2 C 23.1 . 1 584 56 Thr N N 117.3 . 1 585 57 Asp H H 8.45 . 1 586 57 Asp HA H 4.26 . 1 587 57 Asp HB2 H 2.56 . 2 588 57 Asp HB3 H 2.64 . 2 589 57 Asp CA C 57.9 . 1 590 57 Asp CB C 39.1 . 1 591 57 Asp N N 120.3 . 1 592 58 Asp H H 7.54 . 1 593 58 Asp HA H 4.17 . 1 594 58 Asp HB2 H 1.41 . 2 595 58 Asp HB3 H 1.86 . 2 596 58 Asp CA C 56.9 . 1 597 58 Asp CB C 38.4 . 1 598 58 Asp N N 120.2 . 1 599 59 Ala H H 8.11 . 1 600 59 Ala HA H 3.76 . 1 601 59 Ala HB H 1.51 . 1 602 59 Ala CA C 56.0 . 1 603 59 Ala CB C 19.2 . 1 604 59 Ala N N 124.7 . 1 605 60 Ile H H 8.23 . 1 606 60 Ile HA H 3.52 . 1 607 60 Ile HB H 1.88 . 1 608 60 Ile HG12 H 0.94 . 2 609 60 Ile HG13 H 1.89 . 2 610 60 Ile HG2 H 0.99 . 1 611 60 Ile HD1 H 0.76 . 1 612 60 Ile CA C 66.8 . 1 613 60 Ile CB C 38.4 . 1 614 60 Ile CG1 C 31.2 . 1 615 60 Ile CG2 C 17.7 . 1 616 60 Ile CD1 C 14.1 . 1 617 60 Ile N N 117.6 . 1 618 61 Asp H H 7.75 . 1 619 61 Asp HA H 4.44 . 1 620 61 Asp HB2 H 2.71 . 2 621 61 Asp HB3 H 2.74 . 2 622 61 Asp CA C 57.1 . 1 623 61 Asp CB C 40.5 . 1 624 61 Asp N N 118.3 . 1 625 62 Thr H H 8.04 . 1 626 62 Thr HA H 4.07 . 1 627 62 Thr HB H 4.25 . 1 628 62 Thr HG2 H 1.35 . 1 629 62 Thr CA C 68.0 . 1 630 62 Thr CB C 68.6 . 1 631 62 Thr CG2 C 22.3 . 1 632 62 Thr N N 119.8 . 1 633 63 Tyr H H 8.97 . 1 634 63 Tyr HA H 4.48 . 1 635 63 Tyr HB2 H 3.23 . 2 636 63 Tyr HB3 H 2.89 . 2 637 63 Tyr HD1 H 6.74 . 3 638 63 Tyr HD2 H 6.74 . 3 639 63 Tyr HE1 H 6.71 . 3 640 63 Tyr HE2 H 6.71 . 3 641 63 Tyr CA C 59.2 . 1 642 63 Tyr CB C 37.7 . 1 643 63 Tyr CD1 C 129.2 . 1 644 63 Tyr CE1 C 119.0 . 1 645 63 Tyr N N 121.7 . 1 646 64 Ala H H 8.69 . 1 647 64 Ala HA H 4.00 . 1 648 64 Ala HB H 1.58 . 1 649 64 Ala CA C 55.5 . 1 650 64 Ala CB C 17.8 . 1 651 64 Ala N N 119.4 . 1 652 65 Gln H H 8.10 . 1 653 65 Gln HA H 4.01 . 1 654 65 Gln HB2 H 2.33 . 2 655 65 Gln HB3 H 2.13 . 2 656 65 Gln HG2 H 2.42 . 2 657 65 Gln HG3 H 2.50 . 2 658 65 Gln HE21 H 6.89 . 2 659 65 Gln HE22 H 7.37 . 2 660 65 Gln CA C 58.6 . 1 661 65 Gln CB C 28.5 . 1 662 65 Gln CG C 33.9 . 1 663 65 Gln N N 119.6 . 1 664 65 Gln NE2 N 111.7 . 1 665 66 Gly HA2 H 3.08 . 2 666 66 Gly H H 8.43 . 1 667 66 Gly HA3 H 2.52 . 2 668 66 Gly CA C 46.8 . 1 669 66 Gly N N 108.2 . 1 670 67 Ile H H 8.57 . 1 671 67 Ile HA H 3.32 . 1 672 67 Ile HB H 1.90 . 1 673 67 Ile HG12 H 0.75 . 2 674 67 Ile HG13 H 1.98 . 2 675 67 Ile HG2 H 0.80 . 1 676 67 Ile HD1 H 0.76 . 1 677 67 Ile CA C 65.9 . 1 678 67 Ile CB C 38.4 . 1 679 67 Ile CG1 C 32.1 . 1 680 67 Ile CG2 C 16.1 . 1 681 67 Ile CD1 C 14.7 . 1 682 67 Ile N N 123.5 . 1 683 68 Glu H H 7.03 . 1 684 68 Glu HA H 3.96 . 1 685 68 Glu HB2 H 2.10 . 2 686 68 Glu HB3 H 2.10 . 2 687 68 Glu HG2 H 2.31 . 2 688 68 Glu HG3 H 2.41 . 2 689 68 Glu CA C 58.7 . 1 690 68 Glu CB C 28.5 . 1 691 68 Glu CG C 35.6 . 1 692 68 Glu N N 116.5 . 1 693 69 Val H H 7.44 . 1 694 69 Val HA H 3.74 . 1 695 69 Val HB H 1.87 . 1 696 69 Val HG1 H 0.90 . 2 697 69 Val HG2 H 1.00 . 2 698 69 Val CA C 65.7 . 1 699 69 Val CB C 32.0 . 1 700 69 Val CG1 C 20.9 . 1 701 69 Val CG2 C 21.5 . 1 702 69 Val N N 119.5 . 1 703 70 Ala H H 9.29 . 1 704 70 Ala HA H 3.82 . 1 705 70 Ala HB H 1.26 . 1 706 70 Ala CA C 54.4 . 1 707 70 Ala CB C 18.0 . 1 708 70 Ala N N 122.5 . 1 709 71 Arg H H 8.28 . 1 710 71 Arg HA H 3.87 . 1 711 71 Arg HB2 H 1.91 . 2 712 71 Arg HB3 H 1.85 . 2 713 71 Arg HG2 H 1.58 . 2 714 71 Arg HG3 H 1.82 . 2 715 71 Arg HD2 H 3.17 . 2 716 71 Arg HD3 H 3.17 . 2 717 71 Arg HE H 7.27 . 1 718 71 Arg CA C 59.5 . 1 719 71 Arg CB C 30.0 . 1 720 71 Arg CG C 27.7 . 1 721 71 Arg CD C 43.1 . 1 722 71 Arg N N 116.9 . 1 723 71 Arg NE N 84.1 . 1 724 72 Glu H H 7.39 . 1 725 72 Glu HA H 4.30 . 1 726 72 Glu HB2 H 2.10 . 2 727 72 Glu HB3 H 2.19 . 2 728 72 Glu HG2 H 2.32 . 2 729 72 Glu HG3 H 2.39 . 2 730 72 Glu CA C 57.7 . 1 731 72 Glu CB C 30.5 . 1 732 72 Glu CG C 35.6 . 1 733 72 Glu N N 116.8 . 1 734 73 Glu H H 8.49 . 1 735 73 Glu HA H 4.55 . 1 736 73 Glu HB2 H 2.32 . 2 737 73 Glu HB3 H 1.78 . 2 738 73 Glu HG2 H 2.37 . 2 739 73 Glu HG3 H 2.47 . 2 740 73 Glu CA C 55.9 . 1 741 73 Glu CB C 30.8 . 1 742 73 Glu CG C 34.9 . 1 743 73 Glu N N 115.0 . 1 744 74 Gly HA2 H 4.45 . 2 745 74 Gly H H 8.07 . 1 746 74 Gly HA3 H 3.83 . 2 747 74 Gly CA C 44.6 . 1 748 74 Gly N N 108.1 . 1 749 75 Thr H H 8.76 . 1 750 75 Thr HA H 4.67 . 1 751 75 Thr HB H 4.58 . 1 752 75 Thr HG2 H 1.30 . 1 753 75 Thr CA C 59.0 . 1 754 75 Thr CB C 70.9 . 1 755 75 Thr CG2 C 21.1 . 1 756 75 Thr N N 111.4 . 1 757 76 Gln H H 8.71 . 1 758 76 Gln HA H 3.94 . 1 759 76 Gln HB2 H 2.08 . 2 760 76 Gln HB3 H 2.08 . 2 761 76 Gln HG2 H 2.42 . 2 762 76 Gln HG3 H 2.41 . 2 763 76 Gln HE21 H 6.86 . 2 764 76 Gln HE22 H 7.50 . 2 765 76 Gln CA C 58.7 . 1 766 76 Gln CB C 27.9 . 1 767 76 Gln CG C 33.6 . 1 768 76 Gln N N 123.1 . 1 769 76 Gln NE2 N 112.9 . 1 770 77 Lys H H 8.24 . 1 771 77 Lys HA H 4.00 . 1 772 77 Lys HB2 H 1.64 . 2 773 77 Lys HB3 H 1.79 . 2 774 77 Lys HG2 H 1.27 . 2 775 77 Lys HG3 H 1.34 . 2 776 77 Lys HD2 H 1.57 . 2 777 77 Lys HD3 H 1.57 . 2 778 77 Lys HE2 H 2.86 . 2 779 77 Lys HE3 H 2.86 . 2 780 77 Lys CA C 59.2 . 1 781 77 Lys CB C 31.9 . 1 782 77 Lys CG C 24.4 . 1 783 77 Lys CD C 28.9 . 1 784 77 Lys CE C 41.9 . 1 785 77 Lys N N 121.0 . 1 786 78 Asp H H 7.39 . 1 787 78 Asp HA H 4.17 . 1 788 78 Asp HB2 H 2.39 . 2 789 78 Asp HB3 H 2.65 . 2 790 78 Asp CA C 57.0 . 1 791 78 Asp CB C 41.4 . 1 792 78 Asp N N 117.8 . 1 793 79 Leu H H 7.69 . 1 794 79 Leu HA H 3.77 . 1 795 79 Leu HB2 H 1.37 . 2 796 79 Leu HB3 H 1.84 . 2 797 79 Leu HG H 1.44 . 1 798 79 Leu HD1 H 0.90 . 2 799 79 Leu HD2 H 0.85 . 2 800 79 Leu CA C 58.1 . 1 801 79 Leu CB C 42.1 . 1 802 79 Leu CG C 27.0 . 1 803 79 Leu CD1 C 25.3 . 1 804 79 Leu CD2 C 25.8 . 1 805 79 Leu N N 118.4 . 1 806 80 Ser H H 8.40 . 1 807 80 Ser HA H 4.17 . 1 808 80 Ser HB2 H 3.92 . 2 809 80 Ser HB3 H 3.92 . 2 810 80 Ser CA C 61.5 . 1 811 80 Ser CB C 62.5 . 1 812 80 Ser N N 114.0 . 1 813 81 Glu H H 7.93 . 1 814 81 Glu HA H 4.03 . 1 815 81 Glu HB2 H 1.89 . 2 816 81 Glu HB3 H 1.98 . 2 817 81 Glu HG2 H 2.00 . 2 818 81 Glu HG3 H 2.00 . 2 819 81 Glu CA C 59.0 . 1 820 81 Glu CB C 29.0 . 1 821 81 Glu CG C 36.0 . 1 822 81 Glu N N 121.0 . 1 823 82 Leu H H 7.87 . 1 824 82 Leu HA H 3.89 . 1 825 82 Leu HB2 H 1.98 . 2 826 82 Leu HB3 H 1.37 . 2 827 82 Leu HG H 1.95 . 1 828 82 Leu HD1 H 0.73 . 2 829 82 Leu HD2 H 1.24 . 2 830 82 Leu CA C 57.9 . 1 831 82 Leu CB C 43.9 . 1 832 82 Leu CG C 27.5 . 1 833 82 Leu CD1 C 25.1 . 1 834 82 Leu CD2 C 23.9 . 1 835 82 Leu N N 120.9 . 1 836 83 Gln H H 8.52 . 1 837 83 Gln HA H 3.90 . 1 838 83 Gln HB2 H 2.22 . 2 839 83 Gln HB3 H 1.95 . 2 840 83 Gln HG2 H 2.27 . 2 841 83 Gln HG3 H 2.53 . 2 842 83 Gln HE21 H 7.10 . 2 843 83 Gln HE22 H 6.81 . 2 844 83 Gln CA C 59.2 . 1 845 83 Gln CB C 28.3 . 1 846 83 Gln CG C 34.4 . 1 847 83 Gln N N 118.3 . 1 848 83 Gln NE2 N 110.2 . 1 849 84 Asp H H 8.14 . 1 850 84 Asp HA H 4.34 . 1 851 84 Asp HB2 H 2.57 . 2 852 84 Asp HB3 H 2.73 . 2 853 84 Asp CA C 57.1 . 1 854 84 Asp CB C 41.0 . 1 855 84 Asp N N 119.7 . 1 856 85 Ala H H 7.74 . 1 857 85 Ala HA H 3.81 . 1 858 85 Ala HB H 0.78 . 1 859 85 Ala CA C 54.6 . 1 860 85 Ala CB C 16.2 . 1 861 85 Ala N N 121.6 . 1 862 86 Lys H H 8.07 . 1 863 86 Lys HA H 3.81 . 1 864 86 Lys HB2 H 1.70 . 2 865 86 Lys HB3 H 1.93 . 2 866 86 Lys HG2 H 1.41 . 2 867 86 Lys HG3 H 1.63 . 2 868 86 Lys HD2 H 1.59 . 2 869 86 Lys HD3 H 1.59 . 2 870 86 Lys HE2 H 3.10 . 2 871 86 Lys HE3 H 2.89 . 2 872 86 Lys CA C 60.6 . 1 873 86 Lys CB C 33.3 . 1 874 86 Lys CG C 25.4 . 1 875 86 Lys CD C 30.7 . 1 876 86 Lys CE C 41.9 . 1 877 86 Lys N N 120.2 . 1 878 87 Leu H H 7.78 . 1 879 87 Leu HA H 4.16 . 1 880 87 Leu HB2 H 1.62 . 2 881 87 Leu HB3 H 1.74 . 2 882 87 Leu HG H 1.66 . 1 883 87 Leu HD1 H 0.87 . 2 884 87 Leu HD2 H 0.86 . 2 885 87 Leu CA C 57.5 . 1 886 87 Leu CB C 41.9 . 1 887 87 Leu CG C 26.7 . 1 888 87 Leu CD1 C 24.5 . 1 889 87 Leu CD2 C 24.1 . 1 890 87 Leu N N 118.4 . 1 891 88 Lys H H 7.90 . 1 892 88 Lys HA H 3.96 . 1 893 88 Lys HB2 H 1.79 . 2 894 88 Lys HB3 H 1.81 . 2 895 88 Lys HG2 H 1.50 . 2 896 88 Lys HG3 H 1.38 . 2 897 88 Lys HD2 H 1.61 . 2 898 88 Lys HD3 H 1.60 . 2 899 88 Lys HE2 H 2.94 . 2 900 88 Lys HE3 H 2.94 . 2 901 88 Lys CA C 59.2 . 1 902 88 Lys CB C 32.0 . 1 903 88 Lys CG C 25.4 . 1 904 88 Lys CD C 28.9 . 1 905 88 Lys CE C 41.8 . 1 906 88 Lys N N 118.7 . 1 907 89 Ala H H 8.00 . 1 908 89 Ala HA H 4.15 . 1 909 89 Ala HB H 1.53 . 1 910 89 Ala CA C 54.5 . 1 911 89 Ala CB C 17.8 . 1 912 89 Ala N N 122.4 . 1 913 90 Glu H H 8.30 . 1 914 90 Glu HA H 3.93 . 1 915 90 Glu HB2 H 2.24 . 2 916 90 Glu HB3 H 1.98 . 2 917 90 Glu HG2 H 2.23 . 2 918 90 Glu HG3 H 2.59 . 2 919 90 Glu CA C 58.0 . 1 920 90 Glu CB C 29.7 . 1 921 90 Glu CG C 37.2 . 1 922 90 Glu N N 116.7 . 1 923 91 Gly HA2 H 4.07 . 2 924 91 Gly H H 7.71 . 1 925 91 Gly HA3 H 3.87 . 2 926 91 Gly CA C 45.5 . 1 927 91 Gly N N 106.0 . 1 928 92 Leu H H 7.64 . 1 929 92 Leu HA H 4.27 . 1 930 92 Leu HB2 H 1.76 . 2 931 92 Leu HB3 H 1.52 . 2 932 92 Leu HG H 1.75 . 1 933 92 Leu HD1 H 0.91 . 2 934 92 Leu HD2 H 0.84 . 2 935 92 Leu CA C 55.2 . 1 936 92 Leu CB C 42.1 . 1 937 92 Leu CG C 26.6 . 1 938 92 Leu CD1 C 25.2 . 1 939 92 Leu CD2 C 22.7 . 1 940 92 Leu N N 121.2 . 1 941 93 Glu H H 8.29 . 1 942 93 Glu HA H 4.13 . 1 943 93 Glu HB2 H 1.90 . 2 944 93 Glu HB3 H 1.89 . 2 945 93 Glu HG2 H 2.10 . 2 946 93 Glu HG3 H 2.19 . 2 947 93 Glu CA C 56.7 . 1 948 93 Glu CB C 29.7 . 1 949 93 Glu CG C 36.0 . 1 950 93 Glu N N 120.2 . 1 951 94 His H H 8.26 . 1 952 94 His HA H 4.56 . 1 953 94 His HB2 H 3.07 . 2 954 94 His HB3 H 3.08 . 2 955 94 His CA C 55.4 . 1 956 94 His CB C 29.7 . 1 957 94 His N N 118.9 . 1 958 95 His H H 8.17 . 1 959 95 His HA H 4.41 . 1 960 95 His HB2 H 3.19 . 2 961 95 His HB3 H 3.18 . 2 962 95 His CA C 57.0 . 1 963 95 His CB C 30.0 . 1 964 95 His N N 125.4 . 1