1 1 Met HA H 4.21 . 1 2 1 Met HB2 H 2.12 . 2 3 1 Met HB3 H 2.00 . 2 4 1 Met HG2 H 2.79 . 2 5 1 Met HG3 H 2.54 . 2 6 1 Met HE H 1.88 . 1 7 1 Met C C 171.2 . 1 8 1 Met CA C 55.0 . 1 9 1 Met CB C 34.6 . 1 10 1 Met CG C 31.2 . 1 11 1 Met CE C 16.8 . 1 12 2 Asn H H 8.50 . 1 13 2 Asn HA H 4.99 . 1 14 2 Asn HB2 H 3.33 . 2 15 2 Asn HB3 H 2.92 . 2 16 2 Asn HD21 H 7.46 . 1 17 2 Asn HD22 H 6.94 . 1 18 2 Asn C C 175.6 . 1 19 2 Asn CA C 51.0 . 1 20 2 Asn CB C 40.0 . 1 21 2 Asn CG C 175.4 . 1 22 2 Asn N N 122.0 . 1 23 2 Asn ND2 N 111.1 . 1 24 3 Arg H H 8.95 . 1 25 3 Arg HA H 3.85 . 1 26 3 Arg HB2 H 1.89 . 2 27 3 Arg HB3 H 1.80 . 2 28 3 Arg HG2 H 1.63 . 2 29 3 Arg HG3 H 1.65 . 2 30 3 Arg HD2 H 3.26 . 2 31 3 Arg HD3 H 3.26 . 2 32 3 Arg HE H 7.65 . 1 33 3 Arg C C 175.6 . 1 34 3 Arg CA C 60.4 . 1 35 3 Arg CB C 30.9 . 1 36 3 Arg CG C 27.0 . 1 37 3 Arg CD C 43.7 . 1 38 3 Arg CZ C 159.8 . 1 39 3 Arg N N 117.6 . 1 40 3 Arg NE N 84.7 . 1 41 4 Gln H H 8.37 . 1 42 4 Gln HA H 3.90 . 1 43 4 Gln HB2 H 2.10 . 2 44 4 Gln HB3 H 2.00 . 2 45 4 Gln HG2 H 2.43 . 2 46 4 Gln HG3 H 2.43 . 2 47 4 Gln HE21 H 7.85 . 1 48 4 Gln HE22 H 6.92 . 1 49 4 Gln C C 178.3 . 1 50 4 Gln CA C 58.9 . 1 51 4 Gln CB C 28.2 . 1 52 4 Gln CG C 33.7 . 1 53 4 Gln CD C 180.4 . 1 54 4 Gln N N 120.7 . 1 55 4 Gln NE2 N 115.3 . 1 56 5 Gln H H 8.67 . 1 57 5 Gln HA H 4.19 . 1 58 5 Gln HB2 H 2.31 . 2 59 5 Gln HB3 H 1.96 . 2 60 5 Gln HG2 H 2.76 . 2 61 5 Gln HG3 H 2.50 . 2 62 5 Gln HE21 H 7.56 . 1 63 5 Gln HE22 H 6.82 . 1 64 5 Gln C C 180.0 . 1 65 5 Gln CA C 58.5 . 1 66 5 Gln CB C 28.9 . 1 67 5 Gln CG C 34.3 . 1 68 5 Gln CD C 180.5 . 1 69 5 Gln N N 117.7 . 1 70 5 Gln NE2 N 111.5 . 1 71 6 Phe H H 8.27 . 1 72 6 Phe HA H 4.13 . 1 73 6 Phe HB2 H 3.19 . 2 74 6 Phe HB3 H 3.08 . 2 75 6 Phe HD1 H 6.93 . 3 76 6 Phe HD2 H 6.93 . 3 77 6 Phe HE1 H 6.43 . 3 78 6 Phe HE2 H 6.43 . 3 79 6 Phe HZ H 6.33 . 1 80 6 Phe C C 175.5 . 1 81 6 Phe CA C 62.7 . 1 82 6 Phe CB C 39.0 . 1 83 6 Phe CD1 C 131.3 . 3 84 6 Phe CD2 C 131.3 . 3 85 6 Phe CE1 C 130.9 . 3 86 6 Phe CE2 C 130.9 . 3 87 6 Phe CZ C 127.7 . 1 88 6 Phe N N 121.2 . 1 89 7 Ile H H 8.39 . 1 90 7 Ile HA H 3.28 . 1 91 7 Ile HB H 1.99 . 1 92 7 Ile HG12 H 1.06 . 2 93 7 Ile HG13 H 2.13 . 2 94 7 Ile HG2 H 1.05 . 1 95 7 Ile HD1 H 0.94 . 1 96 7 Ile C C 178.9 . 1 97 7 Ile CA C 66.4 . 1 98 7 Ile CB C 38.5 . 1 99 7 Ile CG1 C 31.3 . 1 100 7 Ile CG2 C 17.2 . 1 101 7 Ile CD1 C 13.9 . 1 102 7 Ile N N 121.0 . 1 103 8 Asp H H 8.71 . 1 104 8 Asp HA H 4.37 . 1 105 8 Asp HB2 H 2.74 . 2 106 8 Asp HB3 H 2.64 . 2 107 8 Asp C C 178.0 . 1 108 8 Asp CA C 57.3 . 1 109 8 Asp CB C 40.6 . 1 110 8 Asp N N 119.8 . 1 111 9 Tyr H H 8.06 . 1 112 9 Tyr HA H 4.00 . 1 113 9 Tyr HB2 H 3.18 . 2 114 9 Tyr HB3 H 2.86 . 2 115 9 Tyr HD1 H 6.71 . 3 116 9 Tyr HD2 H 6.71 . 3 117 9 Tyr HE1 H 6.39 . 3 118 9 Tyr HE2 H 6.39 . 3 119 9 Tyr C C 176.5 . 1 120 9 Tyr CA C 61.7 . 1 121 9 Tyr CB C 38.6 . 1 122 9 Tyr CD1 C 132.2 . 3 123 9 Tyr CD2 C 132.2 . 3 124 9 Tyr CE1 C 116.7 . 3 125 9 Tyr CE2 C 116.7 . 3 126 9 Tyr N N 121.6 . 1 127 10 Ala H H 8.34 . 1 128 10 Ala HA H 3.73 . 1 129 10 Ala HB H 1.02 . 1 130 10 Ala C C 180.2 . 1 131 10 Ala CA C 55.2 . 1 132 10 Ala CB C 17.3 . 1 133 10 Ala N N 120.7 . 1 134 11 Gln H H 7.83 . 1 135 11 Gln HA H 4.13 . 1 136 11 Gln HB2 H 2.31 . 2 137 11 Gln HB3 H 2.18 . 2 138 11 Gln HG2 H 2.35 . 2 139 11 Gln HG3 H 2.35 . 2 140 11 Gln HE21 H 7.27 . 1 141 11 Gln HE22 H 6.75 . 1 142 11 Gln C C 178.3 . 1 143 11 Gln CA C 59.2 . 1 144 11 Gln CB C 28.6 . 1 145 11 Gln CG C 34.3 . 1 146 11 Gln CD C 179.7 . 1 147 11 Gln N N 116.6 . 1 148 11 Gln NE2 N 111.7 . 1 149 12 Lys H H 8.04 . 1 150 12 Lys HA H 3.89 . 1 151 12 Lys HB2 H 1.72 . 2 152 12 Lys HB3 H 1.62 . 2 153 12 Lys HG2 H 1.36 . 2 154 12 Lys HG3 H 1.36 . 2 155 12 Lys HD2 H 1.62 . 2 156 12 Lys HD3 H 1.63 . 2 157 12 Lys HE2 H 2.92 . 2 158 12 Lys HE3 H 2.92 . 2 159 12 Lys C C 178.2 . 1 160 12 Lys CA C 58.8 . 1 161 12 Lys CB C 32.7 . 1 162 12 Lys CG C 25.1 . 1 163 12 Lys CD C 29.1 . 1 164 12 Lys CE C 42.3 . 1 165 12 Lys N N 119.3 . 1 166 13 Lys H H 8.44 . 1 167 13 Lys HA H 3.61 . 1 168 13 Lys HB2 H 0.43 . 2 169 13 Lys HB3 H 0.32 . 2 170 13 Lys HG2 H 0.09 . 2 171 13 Lys HG3 H -0.31 . 2 172 13 Lys HD2 H 1.07 . 2 173 13 Lys HD3 H 0.90 . 2 174 13 Lys HE2 H 2.47 . 2 175 13 Lys HE3 H 2.58 . 2 176 13 Lys C C 177.6 . 1 177 13 Lys CA C 56.9 . 1 178 13 Lys CB C 32.00 . 1 179 13 Lys CG C 23.6 . 1 180 13 Lys CD C 27.9 . 1 181 13 Lys CE C 42.1 . 1 182 13 Lys N N 117.7 . 1 183 14 Tyr H H 6.78 . 1 184 14 Tyr HA H 4.53 . 1 185 14 Tyr HB2 H 3.07 . 2 186 14 Tyr HB3 H 2.82 . 2 187 14 Tyr HD1 H 6.19 . 3 188 14 Tyr HD2 H 6.19 . 3 189 14 Tyr HE1 H 6.03 . 3 190 14 Tyr HE2 H 6.03 . 3 191 14 Tyr C C 175.8 . 1 192 14 Tyr CA C 56.6 . 1 193 14 Tyr CB C 39.5 . 1 194 14 Tyr CD1 C 132.4 . 3 195 14 Tyr CD2 C 132.4 . 3 196 14 Tyr CE1 C 116.0 . 3 197 14 Tyr CE2 C 116.0 . 3 198 14 Tyr N N 113.1 . 1 199 15 Asp H H 7.62 . 1 200 15 Asp HA H 4.81 . 1 201 15 Asp HB2 H 3.20 . 2 202 15 Asp HB3 H 2.56 . 2 203 15 Asp C C 175.2 . 1 204 15 Asp CA C 55.1 . 1 205 15 Asp CB C 39.3 . 1 206 15 Asp N N 119.6 . 1 207 16 Thr H H 7.56 . 1 208 16 Thr HA H 4.65 . 1 209 16 Thr HB H 3.91 . 1 210 16 Thr HG1 H 6.25 . 1 211 16 Thr HG2 H 1.48 . 1 212 16 Thr C C 173.2 . 1 213 16 Thr CA C 61.5 . 1 214 16 Thr CB C 71.0 . 1 215 16 Thr CG2 C 23.8 . 1 216 16 Thr N N 113.1 . 1 217 17 Lys H H 8.83 . 1 218 17 Lys HA H 4.69 . 1 219 17 Lys HB2 H 1.66 . 2 220 17 Lys HB3 H 1.77 . 2 221 17 Lys HD2 H 1.47 . 2 222 17 Lys HD3 H 1.47 . 2 223 17 Lys HE2 H 2.85 . 2 224 17 Lys HE3 H 2.85 . 2 225 17 Lys C C 173.2 . 1 226 17 Lys CA C 53.6 . 1 227 17 Lys CB C 32.8 . 1 228 17 Lys CG C 24.6 . 1 229 17 Lys CD C 28.8 . 1 230 17 Lys CE C 42.1 . 1 231 17 Lys N N 127.2 . 1 232 18 Pro HA H 3.54 . 1 233 18 Pro HB2 H 1.08 . 2 234 18 Pro HB3 H 1.08 . 2 235 18 Pro HG2 H 1.99 . 2 236 18 Pro HG3 H 1.99 . 2 237 18 Pro HD2 H 3.69 . 2 238 18 Pro HD3 H 3.62 . 2 239 18 Pro C C 175.8 . 1 240 18 Pro CA C 62.0 . 1 241 18 Pro CB C 32.2 . 1 242 18 Pro CG C 27.1 . 1 243 18 Pro CD C 50.0 . 1 244 19 Asp H H 8.31 . 1 245 19 Asp HA H 4.74 . 1 246 19 Asp HB2 H 2.24 . 2 247 19 Asp HB3 H 2.24 . 2 248 19 Asp C C 175.1 . 1 249 19 Asp CA C 52.3 . 1 250 19 Asp CB C 43.7 . 1 251 19 Asp N N 120.3 . 1 252 20 His H H 8.62 . 1 253 20 His HA H 5.17 . 1 254 20 His HB2 H 3.09 . 2 255 20 His HB3 H 3.38 . 2 256 20 His CA C 53.2 . 1 257 20 His CB C 28.8 . 1 258 20 His N N 118.8 . 1 259 21 Pro HA H 4.19 . 1 260 21 Pro HB2 H 1.78 . 2 261 21 Pro HB3 H 0.73 . 2 262 21 Pro HG2 H 0.30 . 2 263 21 Pro HG3 H 0.93 . 2 264 21 Pro HD2 H 3.07 . 2 265 21 Pro HD3 H 2.93 . 2 266 21 Pro C C 176.6 . 1 267 21 Pro CA C 63.9 . 1 268 21 Pro CB C 32.1 . 1 269 21 Pro CG C 25.5 . 1 270 21 Pro CD C 49.5 . 1 271 22 Trp H H 8.34 . 1 272 22 Trp HA H 5.00 . 1 273 22 Trp HB2 H 3.28 . 2 274 22 Trp HB3 H 3.39 . 2 275 22 Trp HD1 H 7.39 . 1 276 22 Trp HE1 H 10.31 . 1 277 22 Trp HE3 H 7.85 . 1 278 22 Trp HZ2 H 7.62 . 1 279 22 Trp HZ3 H 6.66 . 1 280 22 Trp HH2 H 6.90 . 1 281 22 Trp C C 174.2 . 1 282 22 Trp CA C 57.1 . 1 283 22 Trp CB C 29.4 . 1 284 22 Trp CD1 C 126.3 . 1 285 22 Trp CE3 C 120.9 . 1 286 22 Trp CZ2 C 114.5 . 1 287 22 Trp CZ3 C 120.9 . 1 288 22 Trp CH2 C 124.7 . 1 289 22 Trp N N 118.7 . 1 290 22 Trp NE1 N 130.2 . 1 291 23 Glu H H 9.03 . 1 292 23 Glu HA H 4.00 . 1 293 23 Glu HB2 H 2.00 . 2 294 23 Glu HB3 H 2.06 . 2 295 23 Glu HG2 H 2.33 . 2 296 23 Glu HG3 H 2.27 . 2 297 23 Glu C C 177.9 . 1 298 23 Glu CA C 59.1 . 1 299 23 Glu CB C 29.2 . 1 300 23 Glu CG C 35.4 . 1 301 23 Glu N N 128.4 . 1 302 24 Lys H H 8.50 . 1 303 24 Lys HA H 3.89 . 1 304 24 Lys HB2 H 1.43 . 2 305 24 Lys HB3 H 1.24 . 2 306 24 Lys HG2 H 1.17 . 2 307 24 Lys HG3 H 1.00 . 2 308 24 Lys HD2 H 1.47 . 2 309 24 Lys HD3 H 1.47 . 2 310 24 Lys HE2 H 2.84 . 2 311 24 Lys HE3 H 2.84 . 2 312 24 Lys C C 175.3 . 1 313 24 Lys CA C 57.1 . 1 314 24 Lys CB C 32.3 . 1 315 24 Lys CG C 25.1 . 1 316 24 Lys CD C 25.3 . 1 317 24 Lys CE C 42.2 . 1 318 24 Lys N N 115.1 . 1 319 25 Phe H H 7.01 . 1 320 25 Phe HA H 4.74 . 1 321 25 Phe HB2 H 2.21 . 2 322 25 Phe HB3 H 1.79 . 2 323 25 Phe HD1 H 6.61 . 3 324 25 Phe HD2 H 6.61 . 3 325 25 Phe HE1 H 7.06 . 3 326 25 Phe HE2 H 7.06 . 3 327 25 Phe HZ H 7.07 . 1 328 25 Phe C C 175.3 . 1 329 25 Phe CA C 54.3 . 1 330 25 Phe CB C 39.2 . 1 331 25 Phe CD1 C 132.1 . 3 332 25 Phe CD2 C 132.1 . 3 333 25 Phe CE1 C 130.4 . 3 334 25 Phe CE2 C 130.4 . 3 335 25 Phe CZ C 128.7 . 1 336 25 Phe N N 115.1 . 1 337 26 Pro HA H 4.38 . 1 338 26 Pro HB2 H 2.25 . 2 339 26 Pro HB3 H 1.88 . 2 340 26 Pro HG2 H 1.95 . 2 341 26 Pro HG3 H 1.87 . 2 342 26 Pro HD2 H 3.26 . 2 343 26 Pro HD3 H 3.52 . 2 344 26 Pro C C 176.9 . 1 345 26 Pro CA C 64.9 . 1 346 26 Pro CB C 32.2 . 1 347 26 Pro CG C 26.8 . 1 348 26 Pro CD C 50.0 . 1 349 27 Asp H H 8.86 . 1 350 27 Asp HA H 4.81 . 1 351 27 Asp HB2 H 2.88 . 2 352 27 Asp HB3 H 2.81 . 2 353 27 Asp C C 177.2 . 1 354 27 Asp CA C 53.9 . 1 355 27 Asp CB C 39.9 . 1 356 27 Asp N N 114.4 . 1 357 28 Tyr H H 8.30 . 1 358 28 Tyr HA H 5.50 . 1 359 28 Tyr HB2 H 3.93 . 2 360 28 Tyr HB3 H 2.98 . 2 361 28 Tyr HD1 H 6.76 . 3 362 28 Tyr HD2 H 6.76 . 3 363 28 Tyr HE1 H 6.33 . 3 364 28 Tyr HE2 H 6.33 . 3 365 28 Tyr C C 175.9 . 1 366 28 Tyr CA C 55.6 . 1 367 28 Tyr CB C 36.4 . 1 368 28 Tyr CD1 C 130.2 . 3 369 28 Tyr CD2 C 130.2 . 3 370 28 Tyr CE1 C 118.2 . 3 371 28 Tyr CE2 C 118.2 . 3 372 28 Tyr N N 123.7 . 1 373 29 Ala H H 9.24 . 1 374 29 Ala HA H 5.03 . 1 375 29 Ala HB H 1.10 . 1 376 29 Ala C C 174.6 . 1 377 29 Ala CA C 49.7 . 1 378 29 Ala CB C 22.8 . 1 379 29 Ala N N 126.0 . 1 380 30 Val H H 8.53 . 1 381 30 Val HA H 4.25 . 1 382 30 Val HB H 0.99 . 1 383 30 Val HG1 H -0.45 . 2 384 30 Val HG2 H -0.17 . 2 385 30 Val C C 173.4 . 1 386 30 Val CA C 60.3 . 1 387 30 Val CB C 34.1 . 1 388 30 Val CG1 C 20.1 . 2 389 30 Val CG2 C 21.2 . 2 390 30 Val N N 119.7 . 1 391 31 Phe H H 8.04 . 1 392 31 Phe HA H 4.25 . 1 393 31 Phe HB2 H 2.31 . 2 394 31 Phe HB3 H 2.28 . 2 395 31 Phe HD1 H 6.90 . 3 396 31 Phe HD2 H 6.90 . 3 397 31 Phe HE1 H 7.24 . 3 398 31 Phe HE2 H 7.24 . 3 399 31 Phe HZ H 7.07 . 1 400 31 Phe C C 173.2 . 1 401 31 Phe CA C 56.7 . 1 402 31 Phe CB C 38.5 . 1 403 31 Phe CD1 C 131.9 . 3 404 31 Phe CD2 C 131.9 . 3 405 31 Phe CE1 C 131.0 . 3 406 31 Phe CE2 C 131.0 . 3 407 31 Phe CZ C 128.4 . 1 408 31 Phe N N 124.1 . 1 409 32 Arg H H 8.72 . 1 410 32 Arg HA H 5.32 . 1 411 32 Arg HB2 H 1.64 . 2 412 32 Arg HB3 H 1.57 . 2 413 32 Arg HG2 H 1.63 . 2 414 32 Arg HG3 H 1.25 . 2 415 32 Arg HD2 H 3.10 . 2 416 32 Arg HD3 H 3.06 . 2 417 32 Arg HE H 7.51 . 1 418 32 Arg C C 176.4 . 1 419 32 Arg CA C 53.4 . 1 420 32 Arg CB C 34.2 . 1 421 32 Arg CG C 27.9 . 1 422 32 Arg CD C 43.1 . 1 423 32 Arg CZ C 159.6 . 1 424 32 Arg N N 122.3 . 1 425 32 Arg NE N 84.4 . 1 426 33 His H H 8.56 . 1 427 33 His HA H 4.71 . 1 428 33 His HB2 H 3.42 . 2 429 33 His HB3 H 3.94 . 2 430 33 His C C 176.4 . 1 431 33 His CA C 56.5 . 1 432 33 His CB C 28.9 . 1 433 33 His N N 119.8 . 1 434 34 Ser H H 9.16 . 1 435 34 Ser HA H 4.39 . 1 436 34 Ser HB2 H 4.07 . 2 437 34 Ser HB3 H 4.07 . 2 438 34 Ser C C 174.9 . 1 439 34 Ser CA C 60.4 . 1 440 34 Ser CB C 63.2 . 1 441 34 Ser N N 118.7 . 1 442 35 Asp H H 8.66 . 1 443 35 Asp HA H 4.57 . 1 444 35 Asp HB2 H 2.78 . 2 445 35 Asp HB3 H 2.78 . 2 446 35 Asp C C 177.0 . 1 447 35 Asp CA C 54.3 . 1 448 35 Asp CB C 39.7 . 1 449 35 Asp N N 118.2 . 1 450 36 Asn H H 7.90 . 1 451 36 Asn HA H 4.66 . 1 452 36 Asn HB2 H 3.14 . 2 453 36 Asn HB3 H 2.57 . 2 454 36 Asn HD21 H 7.22 . 1 455 36 Asn HD22 H 6.74 . 1 456 36 Asn C C 175.1 . 1 457 36 Asn CA C 52.0 . 1 458 36 Asn CB C 38.9 . 1 459 36 Asn CG C 175.9 . 1 460 36 Asn N N 116.2 . 1 461 36 Asn ND2 N 109.3 . 1 462 37 Asp H H 7.89 . 1 463 37 Asp HA H 4.67 . 1 464 37 Asp HB2 H 3.02 . 2 465 37 Asp HB3 H 2.78 . 2 466 37 Asp C C 175.8 . 1 467 37 Asp CA C 55.8 . 1 468 37 Asp CB C 40.5 . 1 469 37 Asp N N 115.3 . 1 470 38 Lys H H 8.31 . 1 471 38 Lys HA H 4.39 . 1 472 38 Lys HB2 H 2.13 . 2 473 38 Lys HB3 H 2.13 . 2 474 38 Lys HG2 H 1.62 . 2 475 38 Lys HG3 H 1.62 . 2 476 38 Lys HD2 H 1.82 . 2 477 38 Lys HD3 H 1.82 . 2 478 38 Lys HE2 H 2.93 . 2 479 38 Lys HE3 H 2.93 . 2 480 38 Lys C C 175.3 . 1 481 38 Lys CA C 56.7 . 1 482 38 Lys CB C 32.5 . 1 483 38 Lys CG C 29.1 . 1 484 38 Lys CD C 30.3 . 1 485 38 Lys CE C 42.1 . 1 486 38 Lys N N 119.3 . 1 487 39 Trp HA H 5.00 . 1 488 39 Trp HB2 H 3.08 . 2 489 39 Trp HB3 H 3.38 . 2 490 39 Trp HD1 H 7.15 . 1 491 39 Trp HE1 H 9.92 . 1 492 39 Trp HE3 H 7.11 . 1 493 39 Trp HZ2 H 7.40 . 1 494 39 Trp HZ3 H 7.15 . 1 495 39 Trp HH2 H 7.17 . 1 496 39 Trp C C 176.1 . 1 497 39 Trp CA C 55.7 . 1 498 39 Trp CB C 30.3 . 1 499 39 Trp CD1 C 124.7 . 1 500 39 Trp CE3 C 120.2 . 1 501 39 Trp CZ2 C 114.5 . 1 502 39 Trp CZ3 C 122.3 . 1 503 39 Trp CH2 C 125.3 . 1 504 39 Trp NE1 N 128.0 . 1 505 40 Tyr H H 9.27 . 1 506 40 Tyr HA H 5.28 . 1 507 40 Tyr HB2 H 2.97 . 2 508 40 Tyr HB3 H 2.84 . 2 509 40 Tyr C C 175.4 . 1 510 40 Tyr CA C 55.7 . 1 511 40 Tyr CB C 40.3 . 1 512 40 Tyr N N 114.0 . 1 513 41 Ala H H 7.76 . 1 514 41 Ala HA H 5.58 . 1 515 41 Ala HB H 1.34 . 1 516 41 Ala C C 177.3 . 1 517 41 Ala CA C 52.9 . 1 518 41 Ala CB C 21.9 . 1 519 41 Ala N N 121.5 . 1 520 42 Leu H H 8.30 . 1 521 42 Leu HA H 5.20 . 1 522 42 Leu HB2 H 1.64 . 2 523 42 Leu HB3 H 1.36 . 2 524 42 Leu HG H 1.32 . 1 525 42 Leu HD1 H 0.88 . 2 526 42 Leu HD2 H 0.74 . 2 527 42 Leu C C 173.3 . 1 528 42 Leu CA C 54.1 . 1 529 42 Leu CB C 45.9 . 1 530 42 Leu CG C 28.3 . 1 531 42 Leu CD1 C 26.7 . 2 532 42 Leu CD2 C 23.6 . 2 533 42 Leu N N 123.7 . 1 534 43 Leu H H 9.70 . 1 535 43 Leu HA H 5.25 . 1 536 43 Leu HB2 H 2.21 . 2 537 43 Leu HB3 H 1.36 . 2 538 43 Leu HG H 1.63 . 1 539 43 Leu HD1 H 1.07 . 2 540 43 Leu HD2 H 0.75 . 2 541 43 Leu C C 173.3 . 1 542 43 Leu CA C 54.0 . 1 543 43 Leu CB C 46.0 . 1 544 43 Leu CG C 27.7 . 1 545 43 Leu CD1 C 27.0 . 2 546 43 Leu CD2 C 23.6 . 2 547 43 Leu N N 130.4 . 1 548 44 Met H H 8.80 . 1 549 44 Met HA H 4.42 . 1 550 44 Met HB2 H 1.18 . 2 551 44 Met HB3 H 1.05 . 2 552 44 Met HG2 H 1.51 . 2 553 44 Met HG3 H 1.51 . 2 554 44 Met HE H 1.72 . 1 555 44 Met C C 172.5 . 1 556 44 Met CA C 55.0 . 1 557 44 Met CB C 39.1 . 1 558 44 Met CG C 32.0 . 1 559 44 Met CE C 18.0 . 1 560 44 Met N N 122.8 . 1 561 45 Asp H H 7.96 . 1 562 45 Asp HA H 5.49 . 1 563 45 Asp HB2 H 2.75 . 2 564 45 Asp HB3 H 2.33 . 2 565 45 Asp C C 175.2 . 1 566 45 Asp CA C 51.9 . 1 567 45 Asp CB C 40.8 . 1 568 45 Asp N N 119.4 . 1 569 46 Ile H H 8.80 . 1 570 46 Ile HA H 4.87 . 1 571 46 Ile HB H 1.28 . 1 572 46 Ile HG12 H 0.51 . 2 573 46 Ile HG13 H 0.99 . 2 574 46 Ile HG2 H 0.44 . 1 575 46 Ile HD1 H 0.01 . 1 576 46 Ile CA C 57.7 . 1 577 46 Ile CB C 40.1 . 1 578 46 Ile CG1 C 24.7 . 1 579 46 Ile CG2 C 19.0 . 1 580 46 Ile CD1 C 14.5 . 1 581 46 Ile N N 117.4 . 1 582 47 Pro HA H 4.42 . 1 583 47 Pro HB2 H 2.46 . 2 584 47 Pro HB3 H 1.83 . 2 585 47 Pro HG2 H 1.97 . 2 586 47 Pro HG3 H 2.09 . 2 587 47 Pro HD2 H 3.34 . 2 588 47 Pro HD3 H 3.80 . 2 589 47 Pro C C 177.8 . 1 590 47 Pro CA C 63.0 . 1 591 47 Pro CB C 31.9 . 1 592 47 Pro CG C 28.4 . 1 593 47 Pro CD C 51.1 . 1 594 48 Ala H H 8.55 . 1 595 48 Ala HA H 3.55 . 1 596 48 Ala HB H 1.17 . 1 597 48 Ala C C 179.2 . 1 598 48 Ala CA C 55.2 . 1 599 48 Ala CB C 17.7 . 1 600 48 Ala N N 130.1 . 1 601 49 Glu H H 8.70 . 1 602 49 Glu HA H 4.18 . 1 603 49 Glu HB2 H 2.10 . 2 604 49 Glu HB3 H 2.10 . 2 605 49 Glu HG2 H 2.28 . 2 606 49 Glu HG3 H 2.28 . 2 607 49 Glu C C 179.8 . 1 608 49 Glu CA C 58.2 . 1 609 49 Glu CB C 28.2 . 1 610 49 Glu CG C 34.6 . 1 611 49 Glu N N 114.9 . 1 612 50 Lys H H 7.91 . 1 613 50 Lys HA H 4.06 . 1 614 50 Lys HB2 H 1.73 . 2 615 50 Lys HB3 H 1.71 . 2 616 50 Lys HG2 H 1.42 . 2 617 50 Lys HG3 H 1.42 . 2 618 50 Lys HD2 H 1.63 . 2 619 50 Lys HD3 H 1.64 . 2 620 50 Lys HE2 H 2.75 . 2 621 50 Lys HE3 H 2.86 . 2 622 50 Lys C C 178.1 . 1 623 50 Lys CA C 56.9 . 1 624 50 Lys CB C 31.7 . 1 625 50 Lys CG C 25.2 . 1 626 50 Lys CD C 27.7 . 1 627 50 Lys CE C 42.6 . 1 628 50 Lys N N 118.1 . 1 629 51 Ile H H 7.19 . 1 630 51 Ile HA H 4.49 . 1 631 51 Ile HB H 1.73 . 1 632 51 Ile HG12 H 0.95 . 2 633 51 Ile HG13 H 0.56 . 2 634 51 Ile HG2 H 0.40 . 1 635 51 Ile HD1 H 0.10 . 1 636 51 Ile C C 175.3 . 1 637 51 Ile CA C 60.1 . 1 638 51 Ile CB C 37.4 . 1 639 51 Ile CG1 C 25.9 . 1 640 51 Ile CG2 C 17.1 . 1 641 51 Ile CD1 C 14.4 . 1 642 51 Ile N N 109.0 . 1 643 52 Gly H H 7.37 . 1 644 52 Gly HA2 H 4.05 . 2 645 52 Gly HA3 H 3.73 . 2 646 52 Gly C C 174.2 . 1 647 52 Gly CA C 46.1 . 1 648 52 Gly N N 106.9 . 1 649 53 Ile H H 7.26 . 1 650 53 Ile HA H 4.04 . 1 651 53 Ile HB H 1.45 . 1 652 53 Ile HG12 H 0.85 . 2 653 53 Ile HG13 H 1.22 . 2 654 53 Ile HG2 H 0.79 . 1 655 53 Ile HD1 H 0.59 . 1 656 53 Ile C C 174.7 . 1 657 53 Ile CA C 60.5 . 1 658 53 Ile CB C 38.7 . 1 659 53 Ile CG1 C 27.8 . 1 660 53 Ile CG2 C 16.8 . 1 661 53 Ile CD1 C 14.0 . 1 662 53 Ile N N 121.9 . 1 663 54 Asn H H 8.28 . 1 664 54 Asn HA H 4.54 . 1 665 54 Asn HB2 H 2.82 . 2 666 54 Asn HB3 H 2.69 . 2 667 54 Asn HD21 H 7.60 . 1 668 54 Asn HD22 H 6.93 . 1 669 54 Asn C C 175.4 . 1 670 54 Asn CA C 53.7 . 1 671 54 Asn CB C 39.0 . 1 672 54 Asn CG C 176.7 . 1 673 54 Asn N N 123.3 . 1 674 54 Asn ND2 N 113.0 . 1 675 55 Gly H H 8.24 . 1 676 55 Gly HA2 H 4.23 . 2 677 55 Gly HA3 H 3.74 . 2 678 55 Gly C C 173.2 . 1 679 55 Gly CA C 44.8 . 1 680 55 Gly N N 110.2 . 1 681 56 Asp H H 8.32 . 1 682 56 Asp HA H 4.70 . 1 683 56 Asp HB2 H 2.64 . 2 684 56 Asp HB3 H 2.69 . 2 685 56 Asp C C 175.8 . 1 686 56 Asp CA C 53.4 . 1 687 56 Asp CB C 40.5 . 1 688 56 Asp N N 119.0 . 1 689 57 Lys H H 7.78 . 1 690 57 Lys HA H 4.40 . 1 691 57 Lys HB2 H 1.82 . 2 692 57 Lys HB3 H 1.74 . 2 693 57 Lys HG2 H 1.31 . 2 694 57 Lys HG3 H 1.31 . 2 695 57 Lys HD2 H 1.62 . 2 696 57 Lys HD3 H 1.62 . 2 697 57 Lys HE2 H 2.91 . 2 698 57 Lys HE3 H 2.91 . 2 699 57 Lys C C 175.7 . 1 700 57 Lys CA C 55.6 . 1 701 57 Lys CB C 33.7 . 1 702 57 Lys CG C 24.7 . 1 703 57 Lys CD C 28.9 . 1 704 57 Lys CE C 42.2 . 1 705 57 Lys N N 119.5 . 1 706 58 Arg H H 8.41 . 1 707 58 Arg HA H 4.74 . 1 708 58 Arg HB2 H 1.61 . 2 709 58 Arg HB3 H 1.57 . 2 710 58 Arg HG2 H 1.32 . 2 711 58 Arg HG3 H 1.59 . 2 712 58 Arg HD2 H 3.20 . 2 713 58 Arg HD3 H 3.02 . 2 714 58 Arg HE H 7.79 . 1 715 58 Arg C C 176.2 . 1 716 58 Arg CA C 55.3 . 1 717 58 Arg CB C 31.7 . 1 718 58 Arg CG C 26.7 . 1 719 58 Arg CD C 43.9 . 1 720 58 Arg CZ C 160.2 . 1 721 58 Arg N N 120.9 . 1 722 58 Arg NE N 85.8 . 1 723 59 Val H H 9.03 . 1 724 59 Val HA H 4.57 . 1 725 59 Val HB H 1.95 . 1 726 59 Val HG1 H 0.74 . 2 727 59 Val HG2 H 0.48 . 2 728 59 Val C C 173.9 . 1 729 59 Val CA C 58.7 . 1 730 59 Val CB C 34.7 . 1 731 59 Val CG1 C 22.4 . 2 732 59 Val CG2 C 18.3 . 2 733 59 Val N N 115.6 . 1 734 60 Asp H H 8.29 . 1 735 60 Asp HA H 5.56 . 1 736 60 Asp HB2 H 2.51 . 2 737 60 Asp HB3 H 2.24 . 2 738 60 Asp C C 175.8 . 1 739 60 Asp CA C 53.6 . 1 740 60 Asp CB C 43.1 . 1 741 60 Asp N N 120.7 . 1 742 61 Val H H 9.08 . 1 743 61 Val HA H 5.15 . 1 744 61 Val HB H 1.99 . 1 745 61 Val HG1 H 0.54 . 2 746 61 Val HG2 H 0.52 . 2 747 61 Val C C 173.8 . 1 748 61 Val CA C 57.6 . 1 749 61 Val CB C 35.5 . 1 750 61 Val CG1 C 21.0 . 2 751 61 Val CG2 C 18.3 . 2 752 61 Val N N 115.2 . 1 753 62 Ile H H 8.53 . 1 754 62 Ile HA H 5.55 . 1 755 62 Ile HB H 1.25 . 1 756 62 Ile HG12 H 1.45 . 2 757 62 Ile HG13 H 0.72 . 2 758 62 Ile HG2 H 0.12 . 1 759 62 Ile HD1 H 0.34 . 1 760 62 Ile CA C 57.8 . 1 761 62 Ile CB C 41.7 . 1 762 62 Ile CG1 C 25.7 . 1 763 62 Ile CG2 C 18.5 . 1 764 62 Ile CD1 C 14.6 . 1 765 62 Ile N N 112.0 . 1 766 64 Leu HA H 4.96 . 1 767 64 Leu HB2 H 1.47 . 2 768 64 Leu HB3 H 1.43 . 2 769 64 Leu HG H 1.53 . 1 770 64 Leu HD1 H 0.79 . 2 771 64 Leu HD2 H 1.30 . 2 772 64 Leu C C 173.1 . 1 773 64 Leu CA C 53.5 . 1 774 64 Leu CB C 47.0 . 1 775 64 Leu CG C 26.8 . 1 776 64 Leu CD1 C 27.4 . 2 777 64 Leu CD2 C 24.8 . 2 778 65 Lys H H 8.47 . 1 779 65 Lys HA H 3.76 . 1 780 65 Lys HB2 H 1.23 . 2 781 65 Lys HB3 H 1.23 . 2 782 65 Lys HG2 H 0.93 . 2 783 65 Lys HG3 H 0.25 . 2 784 65 Lys HD2 H 1.17 . 2 785 65 Lys HD3 H 1.07 . 2 786 65 Lys HE2 H 2.86 . 2 787 65 Lys HE3 H 2.75 . 2 788 65 Lys C C 175.1 . 1 789 65 Lys CA C 55.7 . 1 790 65 Lys CB C 33.6 . 1 791 65 Lys CG C 26.3 . 1 792 65 Lys CD C 30.6 . 1 793 65 Lys CE C 42.4 . 1 794 65 Lys N N 126.7 . 1 795 66 Val H H 7.84 . 1 796 66 Val HA H 4.41 . 1 797 66 Val HB H 1.74 . 1 798 66 Val HG1 H 0.68 . 2 799 66 Val HG2 H 0.42 . 2 800 66 Val C C 175.3 . 1 801 66 Val CA C 58.3 . 1 802 66 Val CB C 36.4 . 1 803 66 Val CG1 C 21.9 . 2 804 66 Val CG2 C 20.1 . 2 805 66 Val N N 116.0 . 1 806 67 Gln H H 8.62 . 1 807 67 Gln HA H 4.35 . 1 808 67 Gln HB2 H 2.26 . 2 809 67 Gln HB3 H 1.75 . 2 810 67 Gln HG2 H 2.51 . 2 811 67 Gln HG3 H 2.51 . 2 812 67 Gln HE21 H 7.82 . 1 813 67 Gln HE22 H 6.90 . 1 814 67 Gln CA C 54.9 . 1 815 67 Gln CB C 27.6 . 1 816 67 Gln CG C 34.1 . 1 817 67 Gln CD C 180.2 . 1 818 67 Gln N N 123.0 . 1 819 67 Gln NE2 N 112.6 . 1 820 68 Pro HA H 4.20 . 1 821 68 Pro HB2 H 1.99 . 2 822 68 Pro HB3 H 1.89 . 2 823 68 Pro HG2 H 1.99 . 2 824 68 Pro HG3 H 1.99 . 2 825 68 Pro HD2 H 3.91 . 2 826 68 Pro HD3 H 3.97 . 2 827 68 Pro C C 179.4 . 1 828 68 Pro CA C 65.1 . 1 829 68 Pro CB C 31.7 . 1 830 68 Pro CG C 28.1 . 1 831 68 Pro CD C 50.9 . 1 832 69 Glu H H 9.62 . 1 833 69 Glu HA H 4.19 . 1 834 69 Glu HB2 H 2.04 . 2 835 69 Glu HB3 H 2.00 . 2 836 69 Glu HG2 H 2.33 . 2 837 69 Glu HG3 H 2.26 . 2 838 69 Glu C C 177.1 . 1 839 69 Glu CA C 58.6 . 1 840 69 Glu CB C 28.1 . 1 841 69 Glu CG C 35.9 . 1 842 69 Glu N N 116.9 . 1 843 70 Leu H H 7.94 . 1 844 70 Leu HA H 4.46 . 1 845 70 Leu HB2 H 1.71 . 2 846 70 Leu HB3 H 1.54 . 2 847 70 Leu HG H 1.46 . 1 848 70 Leu HD1 H 0.90 . 2 849 70 Leu HD2 H 0.78 . 2 850 70 Leu C C 177.6 . 1 851 70 Leu CA C 54.5 . 1 852 70 Leu CB C 42.8 . 1 853 70 Leu CG C 27.3 . 1 854 70 Leu CD1 C 25.2 . 2 855 70 Leu CD2 C 22.5 . 2 856 70 Leu N N 118.7 . 1 857 71 Val H H 7.08 . 1 858 71 Val HA H 3.21 . 1 859 71 Val HB H 1.88 . 1 860 71 Val HG1 H 0.75 . 2 861 71 Val HG2 H 0.88 . 2 862 71 Val C C 176.8 . 1 863 71 Val CA C 67.7 . 1 864 71 Val CB C 32.0 . 1 865 71 Val CG1 C 23.4 . 2 866 71 Val CG2 C 21.3 . 2 867 71 Val N N 120.3 . 1 868 72 Gly H H 8.54 . 1 869 72 Gly HA2 H 3.77 . 2 870 72 Gly HA3 H 3.63 . 2 871 72 Gly C C 176.3 . 1 872 72 Gly CA C 47.0 . 1 873 72 Gly N N 105.3 . 1 874 73 Ser H H 7.87 . 1 875 73 Ser HA H 4.17 . 1 876 73 Ser HB2 H 3.84 . 2 877 73 Ser HB3 H 3.84 . 2 878 73 Ser C C 178.0 . 1 879 73 Ser CA C 60.6 . 1 880 73 Ser CB C 62.7 . 1 881 73 Ser N N 115.7 . 1 882 74 Leu H H 8.34 . 1 883 74 Leu HA H 4.00 . 1 884 74 Leu HB2 H 1.81 . 2 885 74 Leu HB3 H 1.32 . 2 886 74 Leu HG H 1.77 . 1 887 74 Leu HD1 H 0.78 . 2 888 74 Leu HD2 H 0.79 . 2 889 74 Leu C C 178.4 . 1 890 74 Leu CA C 57.9 . 1 891 74 Leu CB C 41.7 . 1 892 74 Leu CG C 27.0 . 1 893 74 Leu CD1 C 26.8 . 2 894 74 Leu CD2 C 22.8 . 2 895 74 Leu N N 124.6 . 1 896 75 Arg H H 7.85 . 1 897 75 Arg HA H 3.75 . 1 898 75 Arg HB2 H 1.89 . 2 899 75 Arg HB3 H 1.83 . 2 900 75 Arg HG2 H 1.42 . 2 901 75 Arg HG3 H 1.81 . 2 902 75 Arg HD2 H 3.11 . 2 903 75 Arg HD3 H 3.11 . 2 904 75 Arg HE H 7.25 . 1 905 75 Arg C C 176.5 . 1 906 75 Arg CA C 57.8 . 1 907 75 Arg CB C 29.5 . 1 908 75 Arg CG C 27.9 . 1 909 75 Arg CD C 43.5 . 1 910 75 Arg CZ C 159.7 . 1 911 75 Arg N N 113.3 . 1 912 75 Arg NE N 82.9 . 1 913 76 Lys H H 7.10 . 1 914 76 Lys HA H 4.21 . 1 915 76 Lys HB2 H 1.98 . 2 916 76 Lys HB3 H 1.75 . 2 917 76 Lys HG2 H 1.41 . 2 918 76 Lys HG3 H 1.61 . 2 919 76 Lys HD2 H 1.64 . 2 920 76 Lys HD3 H 1.64 . 2 921 76 Lys HE2 H 2.91 . 2 922 76 Lys HE3 H 2.91 . 2 923 76 Lys C C 177.0 . 1 924 76 Lys CA C 56.5 . 1 925 76 Lys CB C 32.7 . 1 926 76 Lys CG C 25.2 . 1 927 76 Lys CD C 29.2 . 1 928 76 Lys CE C 42.0 . 1 929 76 Lys N N 116.6 . 1 930 77 Lys H H 7.83 . 1 931 77 Lys HA H 4.47 . 1 932 77 Lys HB2 H 1.72 . 2 933 77 Lys HB3 H 1.72 . 2 934 77 Lys HG2 H 1.57 . 2 935 77 Lys HG3 H 1.40 . 2 936 77 Lys HD2 H 1.46 . 2 937 77 Lys HD3 H 1.46 . 2 938 77 Lys HE2 H 3.09 . 2 939 77 Lys HE3 H 3.09 . 2 940 77 Lys CA C 54.5 . 1 941 77 Lys CB C 31.8 . 1 942 77 Lys CG C 25.0 . 1 943 77 Lys CD C 27.3 . 1 944 77 Lys CE C 42.5 . 1 945 77 Lys N N 122.9 . 1 946 78 Pro HA H 4.19 . 1 947 78 Pro HB2 H 2.26 . 2 948 78 Pro HB3 H 1.71 . 2 949 78 Pro HG2 H 2.06 . 2 950 78 Pro HG3 H 2.06 . 2 951 78 Pro HD2 H 3.93 . 2 952 78 Pro HD3 H 3.93 . 2 953 78 Pro C C 176.6 . 1 954 78 Pro CA C 63.7 . 1 955 78 Pro CB C 31.9 . 1 956 78 Pro CG C 28.1 . 1 957 78 Pro CD C 51.0 . 1 958 79 Gly H H 8.29 . 1 959 79 Gly HA2 H 4.35 . 2 960 79 Gly HA3 H 3.59 . 2 961 79 Gly C C 172.0 . 1 962 79 Gly CA C 45.5 . 1 963 79 Gly N N 109.3 . 1 964 80 Ile H H 7.30 . 1 965 80 Ile HA H 4.77 . 1 966 80 Ile HB H 2.03 . 1 967 80 Ile HG12 H 1.49 . 2 968 80 Ile HG13 H 1.49 . 2 969 80 Ile HG2 H 0.68 . 1 970 80 Ile HD1 H 0.76 . 1 971 80 Ile C C 174.2 . 1 972 80 Ile CA C 60.5 . 1 973 80 Ile CB C 37.0 . 1 974 80 Ile CG1 C 27.9 . 1 975 80 Ile CG2 C 18.8 . 1 976 80 Ile CD1 C 13.2 . 1 977 80 Ile N N 119.2 . 1 978 81 Tyr H H 9.49 . 1 979 81 Tyr HA H 4.84 . 1 980 81 Tyr HB2 H 3.19 . 2 981 81 Tyr HB3 H 2.26 . 2 982 81 Tyr HD1 H 7.05 . 3 983 81 Tyr HD2 H 7.05 . 3 984 81 Tyr HE1 H 6.67 . 3 985 81 Tyr HE2 H 6.67 . 3 986 81 Tyr CA C 56.8 . 1 987 81 Tyr CB C 39.8 . 1 988 81 Tyr CD1 C 133.2 . 3 989 81 Tyr CD2 C 133.2 . 3 990 81 Tyr CE1 C 118.0 . 3 991 81 Tyr CE2 C 118.0 . 3 992 81 Tyr N N 126.1 . 1 993 82 Pro HA H 4.61 . 1 994 82 Pro HB2 H 2.31 . 2 995 82 Pro HB3 H 1.92 . 2 996 82 Pro HG2 H 1.97 . 2 997 82 Pro HG3 H 2.25 . 2 998 82 Pro HD2 H 3.98 . 2 999 82 Pro HD3 H 3.90 . 2 1000 82 Pro CA C 62.3 . 1 1001 82 Pro CB C 32.0 . 1 1002 82 Pro CG C 28.3 . 1 1003 82 Pro CD C 51.1 . 1 1004 83 Ala HA H 4.14 . 1 1005 83 Ala HB H 1.32 . 1 1006 84 Tyr HA H 4.47 . 1 1007 84 Tyr HB2 H 2.65 . 2 1008 84 Tyr HB3 H 2.47 . 2 1009 84 Tyr HD1 H 6.84 . 3 1010 84 Tyr HD2 H 6.84 . 3 1011 84 Tyr HE1 H 6.51 . 3 1012 84 Tyr HE2 H 6.51 . 3 1013 84 Tyr CA C 57.5 . 1 1014 84 Tyr CB C 39.5 . 1 1015 84 Tyr CD1 C 133.1 . 3 1016 84 Tyr CD2 C 133.1 . 3 1017 84 Tyr CE1 C 117.9 . 3 1018 84 Tyr CE2 C 117.9 . 3 1019 87 Asn HA H 4.41 . 1 1020 87 Asn HB2 H 3.01 . 2 1021 87 Asn HB3 H 2.86 . 2 1022 87 Asn HD21 H 7.89 . 1 1023 87 Asn HD22 H 7.52 . 1 1024 87 Asn C C 176.5 . 1 1025 87 Asn CA C 55.1 . 1 1026 87 Asn CB C 40.6 . 1 1027 87 Asn CG C 176.7 . 1 1028 87 Asn ND2 N 115.7 . 1 1029 88 Lys H H 8.71 . 1 1030 88 Lys HA H 4.32 . 1 1031 88 Lys HB2 H 2.00 . 2 1032 88 Lys HB3 H 1.91 . 2 1033 88 Lys HG2 H 1.63 . 2 1034 88 Lys HG3 H 1.40 . 2 1035 88 Lys HD2 H 1.62 . 2 1036 88 Lys HD3 H 1.65 . 2 1037 88 Lys HE2 H 3.07 . 2 1038 88 Lys HE3 H 3.07 . 2 1039 88 Lys C C 177.6 . 1 1040 88 Lys CA C 58.1 . 1 1041 88 Lys CB C 33.0 . 1 1042 88 Lys CG C 25.6 . 1 1043 88 Lys CD C 29.2 . 1 1044 88 Lys CE C 42.4 . 1 1045 88 Lys N N 123.8 . 1 1046 89 Glu H H 8.39 . 1 1047 89 Glu HA H 4.27 . 1 1048 89 Glu HB2 H 2.10 . 2 1049 89 Glu HB3 H 2.10 . 2 1050 89 Glu HG2 H 2.24 . 2 1051 89 Glu HG3 H 2.24 . 2 1052 89 Glu C C 176.5 . 1 1053 89 Glu CA C 57.8 . 1 1054 89 Glu CB C 30.1 . 1 1055 89 Glu CG C 37.4 . 1 1056 89 Glu N N 117.0 . 1 1057 90 His H H 7.60 . 1 1058 90 His HA H 4.58 . 1 1059 90 His HB2 H 3.34 . 2 1060 90 His HB3 H 3.01 . 2 1061 90 His HD1 H 7.35 . 1 1062 90 His C C 170.8 . 1 1063 90 His CA C 55.5 . 1 1064 90 His CB C 32.2 . 1 1065 90 His N N 111.5 . 1 1066 91 Trp H H 7.65 . 1 1067 91 Trp HA H 5.61 . 1 1068 91 Trp HB2 H 2.92 . 2 1069 91 Trp HB3 H 2.88 . 2 1070 91 Trp HD1 H 7.47 . 1 1071 91 Trp HE1 H 10.31 . 1 1072 91 Trp HE3 H 7.31 . 1 1073 91 Trp HZ2 H 7.48 . 1 1074 91 Trp HZ3 H 6.86 . 1 1075 91 Trp HH2 H 6.97 . 1 1076 91 Trp C C 174.6 . 1 1077 91 Trp CA C 55.5 . 1 1078 91 Trp CB C 31.7 . 1 1079 91 Trp CD1 C 127.0 . 1 1080 91 Trp CZ2 C 115.0 . 1 1081 91 Trp CZ3 C 120.9 . 1 1082 91 Trp CH2 C 123.7 . 1 1083 91 Trp N N 117.4 . 1 1084 91 Trp NE1 N 129.6 . 1 1085 92 Ile H H 9.10 . 1 1086 92 Ile HA H 4.63 . 1 1087 92 Ile HB H 1.95 . 1 1088 92 Ile HG12 H 1.17 . 2 1089 92 Ile HG13 H 1.10 . 2 1090 92 Ile HG2 H 0.82 . 1 1091 92 Ile HD1 H 0.76 . 1 1092 92 Ile C C 174.5 . 1 1093 92 Ile CA C 59.8 . 1 1094 92 Ile CB C 42.5 . 1 1095 92 Ile CG1 C 25.3 . 1 1096 92 Ile CG2 C 19.3 . 1 1097 92 Ile CD1 C 14.8 . 1 1098 92 Ile N N 111.7 . 1 1099 93 Thr H H 8.57 . 1 1100 93 Thr HA H 4.25 . 1 1101 93 Thr HB H 3.83 . 1 1102 93 Thr HG1 H 4.80 . 1 1103 93 Thr HG2 H 1.14 . 1 1104 93 Thr CA C 61.8 . 1 1105 93 Thr CB C 70.2 . 1 1106 93 Thr CG2 C 21.6 . 1 1107 93 Thr N N 117.6 . 1 1108 94 Val HA H 4.68 . 1 1109 94 Val HB H 2.01 . 1 1110 94 Val HG1 H 0.78 . 2 1111 94 Val HG2 H 0.87 . 2 1112 94 Val C C 175.4 . 1 1113 94 Val CA C 60.7 . 1 1114 94 Val CB C 34.1 . 1 1115 94 Val CG1 C 21.5 . 2 1116 94 Val CG2 C 21.1 . 2 1117 95 Leu H H 8.08 . 1 1118 95 Leu HA H 4.33 . 1 1119 95 Leu HB2 H 2.04 . 2 1120 95 Leu HB3 H 1.41 . 2 1121 95 Leu HG H 1.56 . 1 1122 95 Leu HD1 H 0.84 . 2 1123 95 Leu HD2 H 0.93 . 2 1124 95 Leu C C 176.4 . 1 1125 95 Leu CA C 55.0 . 1 1126 95 Leu CB C 44.3 . 1 1127 95 Leu CG C 26.8 . 1 1128 95 Leu CD1 C 24.2 . 2 1129 95 Leu CD2 C 26.2 . 2 1130 95 Leu N N 127.5 . 1 1131 96 Leu H H 8.05 . 1 1132 96 Leu HA H 4.15 . 1 1133 96 Leu HB2 H 1.49 . 2 1134 96 Leu HB3 H 1.58 . 2 1135 96 Leu HG H 1.36 . 1 1136 96 Leu HD1 H 0.49 . 2 1137 96 Leu HD2 H 0.58 . 2 1138 96 Leu C C 177.4 . 1 1139 96 Leu CA C 56.5 . 1 1140 96 Leu CB C 40.5 . 1 1141 96 Leu CG C 27.0 . 1 1142 96 Leu CD1 C 25.4 . 2 1143 96 Leu CD2 C 22.6 . 2 1144 96 Leu N N 128.1 . 1 1145 97 Asn H H 8.69 . 1 1146 97 Asn HA H 4.74 . 1 1147 97 Asn HB2 H 2.94 . 2 1148 97 Asn HB3 H 2.90 . 2 1149 97 Asn HD21 H 7.68 . 1 1150 97 Asn HD22 H 7.13 . 1 1151 97 Asn C C 174.9 . 1 1152 97 Asn CA C 53.0 . 1 1153 97 Asn CB C 37.7 . 1 1154 97 Asn N N 117.2 . 1 1155 97 Asn ND2 N 113.6 . 1 1156 98 Gly H H 7.82 . 1 1157 98 Gly HA2 H 4.47 . 2 1158 98 Gly HA3 H 3.74 . 2 1159 98 Gly C C 174.9 . 1 1160 98 Gly CA C 44.9 . 1 1161 98 Gly N N 108.6 . 1 1162 99 Pro HA H 4.38 . 1 1163 99 Pro HB2 H 2.24 . 2 1164 99 Pro HB3 H 1.86 . 2 1165 99 Pro HG2 H 1.94 . 2 1166 99 Pro HG3 H 1.94 . 2 1167 99 Pro HD2 H 3.69 . 2 1168 99 Pro HD3 H 3.69 . 2 1169 99 Pro C C 177.4 . 1 1170 99 Pro CA C 63.9 . 1 1171 99 Pro CB C 32.4 . 1 1172 99 Pro CG C 26.9 . 1 1173 99 Pro CD C 50.0 . 1 1174 100 Leu H H 7.75 . 1 1175 100 Leu HA H 4.28 . 1 1176 100 Leu HB2 H 1.45 . 2 1177 100 Leu HB3 H 1.70 . 2 1178 100 Leu HG H 1.72 . 1 1179 100 Leu HD1 H 0.76 . 2 1180 100 Leu HD2 H 0.85 . 2 1181 100 Leu C C 177.4 . 1 1182 100 Leu CA C 55.8 . 1 1183 100 Leu CB C 42.6 . 1 1184 100 Leu CG C 27.7 . 1 1185 100 Leu CD1 C 25.3 . 2 1186 100 Leu CD2 C 25.1 . 2 1187 100 Leu N N 120.3 . 1 1188 101 Gly H H 8.62 . 1 1189 101 Gly HA2 H 4.11 . 2 1190 101 Gly HA3 H 3.89 . 2 1191 101 Gly C C 173.6 . 1 1192 101 Gly CA C 44.3 . 1 1193 101 Gly N N 110.6 . 1 1194 102 Ala H H 8.31 . 1 1195 102 Ala HA H 3.52 . 1 1196 102 Ala HB H 1.12 . 1 1197 102 Ala C C 178.9 . 1 1198 102 Ala CA C 55.4 . 1 1199 102 Ala CB C 18.6 . 1 1200 102 Ala N N 122.0 . 1 1201 103 Lys H H 8.36 . 1 1202 103 Lys HA H 3.73 . 1 1203 103 Lys HB2 H 1.80 . 2 1204 103 Lys HB3 H 1.72 . 2 1205 103 Lys HG2 H 1.47 . 2 1206 103 Lys HG3 H 1.34 . 2 1207 103 Lys HD2 H 1.63 . 2 1208 103 Lys HD3 H 1.63 . 2 1209 103 Lys HE2 H 2.95 . 2 1210 103 Lys HE3 H 2.93 . 2 1211 103 Lys C C 179.4 . 1 1212 103 Lys CA C 60.0 . 1 1213 103 Lys CB C 31.9 . 1 1214 103 Lys CG C 25.4 . 1 1215 103 Lys CD C 29.4 . 1 1216 103 Lys CE C 42.2 . 1 1217 103 Lys N N 116.5 . 1 1218 104 Glu H H 7.89 . 1 1219 104 Glu HA H 4.08 . 1 1220 104 Glu HB2 H 2.16 . 2 1221 104 Glu HB3 H 1.85 . 2 1222 104 Glu HG2 H 2.33 . 2 1223 104 Glu HG3 H 2.26 . 2 1224 104 Glu C C 179.3 . 1 1225 104 Glu CA C 59.5 . 1 1226 104 Glu CB C 29.1 . 1 1227 104 Glu CG C 36.5 . 1 1228 104 Glu N N 120.0 . 1 1229 105 Ile H H 8.17 . 1 1230 105 Ile HA H 3.52 . 1 1231 105 Ile HB H 1.64 . 1 1232 105 Ile HG12 H 1.76 . 2 1233 105 Ile HG13 H 0.68 . 2 1234 105 Ile HG2 H 0.85 . 1 1235 105 Ile HD1 H 0.76 . 1 1236 105 Ile C C 178.1 . 1 1237 105 Ile CA C 66.7 . 1 1238 105 Ile CB C 37.7 . 1 1239 105 Ile CG1 C 30.6 . 1 1240 105 Ile CG2 C 17.6 . 1 1241 105 Ile CD1 C 13.7 . 1 1242 105 Ile N N 119.5 . 1 1243 106 His H H 8.93 . 1 1244 106 His HA H 4.23 . 1 1245 106 His HB2 H 3.43 . 2 1246 106 His HB3 H 3.26 . 2 1247 106 His HD2 H 5.67 . 1 1248 106 His C C 178.0 . 1 1249 106 His CA C 57.6 . 1 1250 106 His CB C 28.4 . 1 1251 106 His CD2 C 115.1 . 1 1252 106 His N N 116.7 . 1 1253 107 Ser H H 8.06 . 1 1254 107 Ser HA H 4.31 . 1 1255 107 Ser HB2 H 4.17 . 2 1256 107 Ser HB3 H 4.04 . 2 1257 107 Ser C C 175.9 . 1 1258 107 Ser CA C 62.2 . 1 1259 107 Ser CB C 62.5 . 1 1260 107 Ser N N 117.0 . 1 1261 108 Leu H H 7.95 . 1 1262 108 Leu HA H 4.18 . 1 1263 108 Leu HB2 H 1.88 . 2 1264 108 Leu HB3 H 1.95 . 2 1265 108 Leu HG H 1.87 . 1 1266 108 Leu HD1 H 0.69 . 2 1267 108 Leu HD2 H 0.83 . 2 1268 108 Leu C C 180.6 . 1 1269 108 Leu CA C 57.9 . 1 1270 108 Leu CB C 42.5 . 1 1271 108 Leu CG C 26.6 . 1 1272 108 Leu CD1 C 26.6 . 2 1273 108 Leu CD2 C 22.8 . 2 1274 108 Leu N N 121.8 . 1 1275 109 Ile H H 8.73 . 1 1276 109 Ile HA H 3.83 . 1 1277 109 Ile HB H 2.20 . 1 1278 109 Ile HG12 H 1.06 . 2 1279 109 Ile HG13 H 2.19 . 2 1280 109 Ile HG2 H 1.24 . 1 1281 109 Ile HD1 H 1.03 . 1 1282 109 Ile C C 176.8 . 1 1283 109 Ile CA C 65.8 . 1 1284 109 Ile CB C 38.6 . 1 1285 109 Ile CG1 C 29.5 . 1 1286 109 Ile CG2 C 18.7 . 1 1287 109 Ile CD1 C 16.6 . 1 1288 109 Ile N N 120.2 . 1 1289 110 Glu H H 7.96 . 1 1290 110 Glu HA H 4.28 . 1 1291 110 Glu HB2 H 2.20 . 2 1292 110 Glu HB3 H 2.20 . 2 1293 110 Glu HG2 H 2.50 . 2 1294 110 Glu HG3 H 2.35 . 2 1295 110 Glu C C 178.5 . 1 1296 110 Glu CA C 58.8 . 1 1297 110 Glu CB C 28.2 . 1 1298 110 Glu CG C 34.5 . 1 1299 110 Glu N N 120.8 . 1 1300 111 Asp H H 8.29 . 1 1301 111 Asp HA H 4.47 . 1 1302 111 Asp HB2 H 3.02 . 2 1303 111 Asp HB3 H 2.79 . 2 1304 111 Asp C C 178.2 . 1 1305 111 Asp CA C 57.1 . 1 1306 111 Asp CB C 39.3 . 1 1307 111 Asp N N 119.2 . 1 1308 112 Ser H H 7.80 . 1 1309 112 Ser HA H 4.20 . 1 1310 112 Ser HB2 H 4.52 . 2 1311 112 Ser HB3 H 4.26 . 2 1312 112 Ser C C 178.6 . 1 1313 112 Ser CA C 61.2 . 1 1314 112 Ser CB C 64.2 . 1 1315 112 Ser N N 114.7 . 1 1316 113 Phe H H 9.16 . 1 1317 113 Phe HA H 3.21 . 1 1318 113 Phe HB2 H 2.02 . 2 1319 113 Phe HB3 H 3.10 . 2 1320 113 Phe C C 178.1 . 1 1321 113 Phe CA C 62.9 . 1 1322 113 Phe CB C 39.1 . 1 1323 113 Phe N N 121.4 . 1 1324 114 Gln H H 8.87 . 1 1325 114 Gln HA H 4.00 . 1 1326 114 Gln HB2 H 2.23 . 2 1327 114 Gln HB3 H 2.23 . 2 1328 114 Gln HG2 H 2.72 . 2 1329 114 Gln HG3 H 2.87 . 2 1330 114 Gln HE21 H 8.14 . 1 1331 114 Gln HE22 H 6.98 . 1 1332 114 Gln C C 179.7 . 1 1333 114 Gln CA C 58.3 . 1 1334 114 Gln CB C 27.6 . 1 1335 114 Gln CG C 32.9 . 1 1336 114 Gln CD C 180.2 . 1 1337 114 Gln N N 116.8 . 1 1338 114 Gln NE2 N 112.6 . 1 1339 115 Leu H H 8.57 . 1 1340 115 Leu HA H 4.09 . 1 1341 115 Leu HB2 H 1.80 . 2 1342 115 Leu HB3 H 1.44 . 2 1343 115 Leu HG H 1.77 . 1 1344 115 Leu HD1 H 0.67 . 2 1345 115 Leu HD2 H 0.73 . 2 1346 115 Leu C C 178.6 . 1 1347 115 Leu CA C 57.3 . 1 1348 115 Leu CB C 43.2 . 1 1349 115 Leu CG C 26.8 . 1 1350 115 Leu CD1 C 24.9 . 2 1351 115 Leu CD2 C 23.9 . 2 1352 115 Leu N N 119.8 . 1 1353 116 Thr H H 7.24 . 1 1354 116 Thr HA H 4.27 . 1 1355 116 Thr HB H 4.46 . 1 1356 116 Thr HG1 H 5.35 . 1 1357 116 Thr HG2 H 1.42 . 1 1358 116 Thr C C 173.2 . 1 1359 116 Thr CA C 60.7 . 1 1360 116 Thr CB C 70.8 . 1 1361 116 Thr CG2 C 22.6 . 1 1362 116 Thr N N 104.9 . 1 1363 117 Arg H H 6.84 . 1 1364 117 Arg HA H 3.06 . 1 1365 117 Arg HB2 H 1.50 . 2 1366 117 Arg HB3 H 1.50 . 2 1367 117 Arg HG2 H 1.30 . 2 1368 117 Arg HG3 H 1.40 . 2 1369 117 Arg HD2 H 3.10 . 2 1370 117 Arg HD3 H 3.04 . 2 1371 117 Arg HE H 7.36 . 1 1372 117 Arg C C 175.2 . 1 1373 117 Arg CA C 55.9 . 1 1374 117 Arg CB C 31.1 . 1 1375 117 Arg CG C 26.6 . 1 1376 117 Arg CD C 44.1 . 1 1377 117 Arg CZ C 159.7 . 1 1378 117 Arg N N 120.9 . 1 1379 117 Arg NE N 84.3 . 1 1380 118 Leu H H 8.38 . 1 1381 118 Leu HA H 4.10 . 1 1382 118 Leu HB2 H 1.50 . 2 1383 118 Leu HB3 H 1.31 . 2 1384 118 Leu HG H 1.31 . 1 1385 118 Leu HD1 H 0.73 . 2 1386 118 Leu HD2 H 0.82 . 2 1387 118 Leu C C 176.5 . 1 1388 118 Leu CA C 55.3 . 1 1389 118 Leu CB C 42.4 . 1 1390 118 Leu CG C 26.8 . 1 1391 118 Leu CD1 C 24.6 . 2 1392 118 Leu CD2 C 24.6 . 2 1393 118 Leu N N 122.6 . 1 1394 119 Glu H H 8.33 . 1 1395 119 Glu HA H 4.16 . 1 1396 119 Glu HB2 H 1.81 . 2 1397 119 Glu HB3 H 1.81 . 2 1398 119 Glu HG2 H 2.17 . 2 1399 119 Glu HG3 H 2.10 . 2 1400 119 Glu C C 175.8 . 1 1401 119 Glu CA C 56.0 . 1 1402 119 Glu CB C 30.3 . 1 1403 119 Glu CG C 35.8 . 1 1404 119 Glu N N 124.0 . 1 1405 120 His H H 8.52 . 1 1406 120 His HA H 4.62 . 1 1407 120 His HB2 H 3.16 . 2 1408 120 His HB3 H 3.09 . 2 1409 120 His C C 174.0 . 1 1410 120 His CA C 55.3 . 1 1411 120 His CB C 29.3 . 1 1412 120 His N N 120.1 . 1 1413 121 His H H 8.58 . 1 1414 121 His HA H 4.62 . 1 1415 121 His HB2 H 3.20 . 2 1416 121 His HB3 H 3.11 . 2 1417 121 His C C 173.5 . 1 1418 121 His CA C 55.3 . 1 1419 121 His CB C 29.2 . 1 1420 121 His N N 120.8 . 1 1421 122 His H H 8.40 . 1 1422 122 His HA H 4.62 . 1 1423 122 His HB2 H 3.12 . 2 1424 122 His HB3 H 3.02 . 2 1425 122 His CA C 55.3 . 1 1426 122 His CB C 29.2 . 1 1427 122 His N N 125.7 . 1 1428 123 His H H 8.69 . 1 1429 123 His HA H 4.64 . 1 1430 123 His HB2 H 3.17 . 2 1431 123 His HB3 H 3.09 . 2 1432 123 His C C 174.1 . 1 1433 123 His CA C 55.3 . 1 1434 123 His CB C 29.3 . 1 1435 123 His N N 120.2 . 1 1436 124 His H H 8.71 . 1 1437 124 His HA H 4.64 . 1 1438 124 His HB2 H 3.17 . 2 1439 124 His HB3 H 3.09 . 2 1440 124 His C C 174.2 . 1 1441 124 His CA C 55.3 . 1 1442 124 His CB C 29.3 . 1 1443 124 His N N 120.7 . 1