save_monomeric_polymer _Saveframe_category monomeric_polymer _Mol_type . _Mol_polymer_class . _Name_common . _Residue_count 82 _Mol_residue_sequence ; MKKMAEFTFE IEEHLLTLSE NEKGWTKEIN RVSFNGAPAK FDIRAWSPDH TKMGKGITLS NEEFQTMVDA FKGNLEHHHH HH ; loop_ _Residue_seq_code _Residue_label 1 Met 2 Lys 3 Lys 4 Met 5 Ala 6 Glu 7 Phe 8 Thr 9 Phe 10 Glu 11 Ile 12 Glu 13 Glu 14 His 15 Leu 16 Leu 17 Thr 18 Leu 19 Ser 20 Glu 21 Asn 22 Glu 23 Lys 24 Gly 25 Trp 26 Thr 27 Lys 28 Glu 29 Ile 30 Asn 31 Arg 32 Val 33 Ser 34 Phe 35 Asn 36 Gly 37 Ala 38 Pro 39 Ala 40 Lys 41 Phe 42 Asp 43 Ile 44 Arg 45 Ala 46 Trp 47 Ser 48 Pro 49 Asp 50 His 51 Thr 52 Lys 53 Met 54 Gly 55 Lys 56 Gly 57 Ile 58 Thr 59 Leu 60 Ser 61 Asn 62 Glu 63 Glu 64 Phe 65 Gln 66 Thr 67 Met 68 Val 69 Asp 70 Ala 71 Phe 72 Lys 73 Gly 74 Asn 75 Leu 76 Glu 77 His 78 His 79 His 80 His 81 His 82 His 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 1 Met HA H 4.11 . 1 2 1 Met HB2 H 2.13 . 2 3 1 Met HB3 H 2.13 . 2 4 1 Met HG2 H 2.56 . 2 5 1 Met HG3 H 2.56 . 2 6 1 Met HE H 2.08 . 1 7 1 Met C C 172 . 1 8 1 Met CA C 55 . 1 9 1 Met CB C 32.9 . 1 10 1 Met CG C 30.8 . 1 11 1 Met CE C 16.8 . 1 12 2 Lys H H 8.69 . 1 13 2 Lys HA H 4.32 . 1 14 2 Lys HB2 H 1.76 . 2 15 2 Lys HB3 H 1.7 . 2 16 2 Lys HG2 H 1.38 . 2 17 2 Lys HG3 H 1.38 . 2 18 2 Lys HD2 H 1.64 . 2 19 2 Lys HD3 H 1.64 . 2 20 2 Lys HE2 H 2.95 . 2 21 2 Lys HE3 H 2.95 . 2 22 2 Lys C C 175.7 . 1 23 2 Lys CA C 56.4 . 1 24 2 Lys CB C 33.2 . 1 25 2 Lys CG C 24.7 . 1 26 2 Lys CD C 29.2 . 1 27 2 Lys CE C 42.2 . 1 28 2 Lys N N 125 . 1 29 3 Lys H H 8.49 . 1 30 3 Lys HA H 4.25 . 1 31 3 Lys HB2 H 1.76 . 2 32 3 Lys HB3 H 1.7 . 2 33 3 Lys HG2 H 1.38 . 2 34 3 Lys HG3 H 1.38 . 2 35 3 Lys HD2 H 1.64 . 2 36 3 Lys HD3 H 1.64 . 2 37 3 Lys HE2 H 2.95 . 2 38 3 Lys HE3 H 2.95 . 2 39 3 Lys C C 176.3 . 1 40 3 Lys CA C 56.4 . 1 41 3 Lys CB C 33.2 . 1 42 3 Lys CG C 24.7 . 1 43 3 Lys CD C 29.2 . 1 44 3 Lys CE C 42.2 . 1 45 3 Lys N N 124.2 . 1 46 4 Met H H 8.48 . 1 47 4 Met HA H 4.42 . 1 48 4 Met HB2 H 2.04 . 2 49 4 Met HB3 H 1.96 . 2 50 4 Met HG2 H 2.58 . 2 51 4 Met HG3 H 2.51 . 2 52 4 Met HE H 2.05 . 1 53 4 Met C C 175.7 . 1 54 4 Met CA C 55.3 . 1 55 4 Met CB C 33 . 1 56 4 Met CG C 32.1 . 1 57 4 Met CE C 17 . 1 58 4 Met N N 123.1 . 1 59 5 Ala H H 8.34 . 1 60 5 Ala HA H 4.25 . 1 61 5 Ala HB H 1.33 . 1 62 5 Ala C C 177.2 . 1 63 5 Ala CA C 52.5 . 1 64 5 Ala CB C 19.4 . 1 65 5 Ala N N 125.5 . 1 66 6 Glu H H 8.34 . 1 67 6 Glu HA H 4.22 . 1 68 6 Glu HB2 H 1.96 . 2 69 6 Glu HB3 H 1.86 . 2 70 6 Glu HG2 H 2.22 . 2 71 6 Glu HG3 H 2.15 . 2 72 6 Glu C C 175.6 . 1 73 6 Glu CA C 56.4 . 1 74 6 Glu CB C 30.2 . 1 75 6 Glu CG C 35.4 . 1 76 6 Glu N N 120.3 . 1 77 7 Phe H H 8.2 . 1 78 7 Phe HA H 5.06 . 1 79 7 Phe HB2 H 3.15 . 2 80 7 Phe HB3 H 3.1 . 2 81 7 Phe HD1 H 7.32 . 3 82 7 Phe HD2 H 7.32 . 3 83 7 Phe HE1 H 7.32 . 3 84 7 Phe HE2 H 7.32 . 3 85 7 Phe HZ H 7.18 . 1 86 7 Phe C C 175.5 . 1 87 7 Phe CA C 57.1 . 1 88 7 Phe CB C 40.4 . 1 89 7 Phe CD1 C 132.2 . 3 90 7 Phe CD2 C 132.2 . 3 91 7 Phe CE1 C 131.4 . 3 92 7 Phe CE2 C 131.4 . 3 93 7 Phe CZ C 129.8 . 1 94 7 Phe N N 121.1 . 1 95 8 Thr H H 8.31 . 1 96 8 Thr HA H 4.55 . 1 97 8 Thr HB H 4.16 . 1 98 8 Thr HG2 H 1.13 . 1 99 8 Thr C C 173.2 . 1 100 8 Thr CA C 60.8 . 1 101 8 Thr CB C 71 . 1 102 8 Thr CG2 C 21.3 . 1 103 8 Thr N N 115.9 . 1 104 9 Phe H H 7.9 . 1 105 9 Phe HA H 5.54 . 1 106 9 Phe HB2 H 3.06 . 2 107 9 Phe HB3 H 2.48 . 2 108 9 Phe HD1 H 6.95 . 3 109 9 Phe HD2 H 6.95 . 3 110 9 Phe C C 173.6 . 1 111 9 Phe CA C 55.6 . 1 112 9 Phe CB C 42.4 . 1 113 9 Phe CD1 C 132.4 . 3 114 9 Phe CD2 C 132.4 . 3 115 9 Phe N N 117.9 . 1 116 10 Glu H H 8.38 . 1 117 10 Glu HA H 4.33 . 1 118 10 Glu HB2 H 1.82 . 2 119 10 Glu HB3 H 1.77 . 2 120 10 Glu HG2 H 2.07 . 2 121 10 Glu HG3 H 1.92 . 2 122 10 Glu C C 175 . 1 123 10 Glu CA C 55.2 . 1 124 10 Glu CB C 32.8 . 1 125 10 Glu CG C 34.5 . 1 126 10 Glu N N 118.6 . 1 127 11 Ile H H 9.30 . 1 128 11 Ile HA H 3.72 . 1 129 11 Ile HB H 1.45 . 1 130 11 Ile HG12 H 1.3 . 2 131 11 Ile HG13 H 0.22 . 2 132 11 Ile HG2 H 0.33 . 1 133 11 Ile HD1 H -0.44 . 1 134 11 Ile C C 174.8 . 1 135 11 Ile CA C 63.1 . 1 136 11 Ile CB C 36.9 . 1 137 11 Ile CG1 C 28.9 . 1 138 11 Ile CG2 C 16.8 . 1 139 11 Ile CD1 C 12.2 . 1 140 11 Ile N N 128.3 . 1 141 12 Glu H H 8.44 . 1 142 12 Glu HA H 4.24 . 1 143 12 Glu HB2 H 1.37 . 2 144 12 Glu HB3 H 1.37 . 2 145 12 Glu HG2 H 2.17 . 2 146 12 Glu HG3 H 2.1 . 2 147 12 Glu C C 176.3 . 1 148 12 Glu CA C 56.8 . 1 149 12 Glu CB C 29.7 . 1 150 12 Glu CG C 34.2 . 1 151 12 Glu N N 129.6 . 1 152 13 Glu H H 7.42 . 1 153 13 Glu HA H 4.29 . 1 154 13 Glu HB2 H 1.83 . 2 155 13 Glu HB3 H 1.56 . 2 156 13 Glu HG2 H 2.23 . 2 157 13 Glu HG3 H 1.93 . 2 158 13 Glu C C 173.9 . 1 159 13 Glu CA C 55.6 . 1 160 13 Glu CB C 33.7 . 1 161 13 Glu CG C 35.4 . 1 162 13 Glu N N 115.7 . 1 163 14 His H H 9.27 . 1 164 14 His HA H 6.01 . 1 165 14 His HB2 H 3.02 . 2 166 14 His HB3 H 2.78 . 2 167 14 His HD2 H 7.1 . 1 168 14 His HE1 H 8 . 1 169 14 His C C 174.1 . 1 170 14 His CA C 53.7 . 1 171 14 His CB C 29 . 1 172 14 His CD2 C 120.5 . 1 173 14 His CE1 C 135.7 . 1 174 14 His N N 126.9 . 1 175 14 His ND1 N 172.9 . 1 176 14 His NE2 N 176.6 . 1 177 15 Leu H H 8.21 . 1 178 15 Leu HA H 4.52 . 1 179 15 Leu HB2 H 1.52 . 2 180 15 Leu HB3 H 1.4 . 2 181 15 Leu HG H 1.51 . 1 182 15 Leu HD1 H 0.78 . 2 183 15 Leu HD2 H 0.82 . 2 184 15 Leu C C 176.3 . 1 185 15 Leu CA C 57 . 1 186 15 Leu CB C 42.1 . 1 187 15 Leu CG C 29.3 . 1 188 15 Leu CD1 C 25.4 . 2 189 15 Leu CD2 C 25 . 2 190 15 Leu N N 126.2 . 1 191 16 Leu H H 7.48 . 1 192 16 Leu HA H 4.37 . 1 193 16 Leu HB2 H 1.35 . 2 194 16 Leu HB3 H 1.35 . 2 195 16 Leu HG H 1.26 . 1 196 16 Leu HD1 H 0.81 . 2 197 16 Leu HD2 H 0.61 . 2 198 16 Leu C C 175 . 1 199 16 Leu CA C 54.7 . 1 200 16 Leu CB C 47.3 . 1 201 16 Leu CG C 27.2 . 1 202 16 Leu CD1 C 23.6 . 2 203 16 Leu CD2 C 27.2 . 2 204 16 Leu N N 115.4 . 1 205 17 Thr H H 9.17 . 1 206 17 Thr HA H 4.8 . 1 207 17 Thr HB H 4.15 . 1 208 17 Thr HG2 H 1.35 . 1 209 17 Thr C C 173.2 . 1 210 17 Thr CA C 63.1 . 1 211 17 Thr CB C 69.2 . 1 212 17 Thr CG2 C 23.4 . 1 213 17 Thr N N 125.9 . 1 214 18 Leu H H 9.6 . 1 215 18 Leu HA H 4.2 . 1 216 18 Leu HB2 H 1.72 . 2 217 18 Leu HB3 H 1.43 . 2 218 18 Leu HG H 1.5 . 1 219 18 Leu HD1 H 0.74 . 2 220 18 Leu HD2 H 0.73 . 2 221 18 Leu C C 175.6 . 1 222 18 Leu CA C 56.5 . 1 223 18 Leu CB C 43.2 . 1 224 18 Leu CG C 27.6 . 1 225 18 Leu CD1 C 25.5 . 2 226 18 Leu CD2 C 23.7 . 2 227 18 Leu N N 125.8 . 1 228 19 Ser H H 7.46 . 1 229 19 Ser HA H 4.55 . 1 230 19 Ser HB2 H 4.29 . 2 231 19 Ser HB3 H 3.83 . 2 232 19 Ser C C 172 . 1 233 19 Ser CA C 57.4 . 1 234 19 Ser CB C 64 . 1 235 19 Ser N N 107.4 . 1 236 20 Glu H H 8.35 . 1 237 20 Glu HA H 5.1 . 1 238 20 Glu HB2 H 1.95 . 2 239 20 Glu HB3 H 1.89 . 2 240 20 Glu HG2 H 2.53 . 2 241 20 Glu HG3 H 2.11 . 2 242 20 Glu C C 175.3 . 1 243 20 Glu CA C 54.9 . 1 244 20 Glu CB C 32.2 . 1 245 20 Glu CG C 33.8 . 1 246 20 Glu N N 118.6 . 1 247 21 Asn H H 8.79 . 1 248 21 Asn HA H 5.06 . 1 249 21 Asn HB2 H 3.54 . 2 250 21 Asn HB3 H 3.02 . 2 251 21 Asn HD21 H 7.54 . 2 252 21 Asn HD22 H 6.94 . 2 253 21 Asn C C 177.7 . 1 254 21 Asn CA C 51 . 1 255 21 Asn CB C 39.2 . 1 256 21 Asn CG C 176.9 . 1 257 21 Asn N N 124.1 . 1 258 21 Asn ND2 N 111.1 . 1 259 22 Glu H H 9.07 . 1 260 22 Glu HA H 4.14 . 1 261 22 Glu HB2 H 2.09 . 2 262 22 Glu HB3 H 2.09 . 2 263 22 Glu HG2 H 2.42 . 2 264 22 Glu HG3 H 2.42 . 2 265 22 Glu C C 177.3 . 1 266 22 Glu CA C 59.1 . 1 267 22 Glu CB C 28.7 . 1 268 22 Glu CG C 35.7 . 1 269 22 Glu N N 118.6 . 1 270 23 Lys H H 7.74 . 1 271 23 Lys HA H 4.46 . 1 272 23 Lys HB2 H 2.39 . 2 273 23 Lys HB3 H 2.1 . 2 274 23 Lys C C 176.2 . 1 275 23 Lys CA C 56.3 . 1 276 23 Lys CB C 29.6 . 1 277 23 Lys N N 117.1 . 1 278 24 Gly H H 8.23 . 1 279 24 Gly HA2 H 4.3 . 2 280 24 Gly HA3 H 3.88 . 2 281 24 Gly C C 174.8 . 1 282 24 Gly CA C 45.4 . 1 283 24 Gly N N 107.8 . 1 284 25 Trp H H 8.16 . 1 285 25 Trp HA H 4.8 . 1 286 25 Trp HB2 H 3.07 . 2 287 25 Trp HB3 H 2.95 . 2 288 25 Trp HD1 H 7.16 . 1 289 25 Trp HE1 H 10.4 . 1 290 25 Trp HZ2 H 7.38 . 1 291 25 Trp HZ3 H 6.48 . 1 292 25 Trp HH2 H 6.83 . 1 293 25 Trp C C 177.6 . 1 294 25 Trp CA C 58.5 . 1 295 25 Trp CB C 28.1 . 1 296 25 Trp CD1 C 125.3 . 1 297 25 Trp CZ2 C 114.5 . 1 298 25 Trp CH2 C 124.3 . 1 299 25 Trp N N 120.8 . 1 300 25 Trp NE1 N 129.9 . 1 301 26 Thr H H 9.14 . 1 302 26 Thr HA H 5.46 . 1 303 26 Thr HB H 4.41 . 1 304 26 Thr HG2 H 1.26 . 1 305 26 Thr C C 175.6 . 1 306 26 Thr CA C 58.6 . 1 307 26 Thr CB C 70.6 . 1 308 26 Thr CG2 C 23.1 . 1 309 26 Thr N N 112.9 . 1 310 27 Lys H H 8.09 . 1 311 27 Lys HA H 5.3 . 1 312 27 Lys HB2 H 1.84 . 2 313 27 Lys HB3 H 1.54 . 2 314 27 Lys HG2 H 1.57 . 2 315 27 Lys HG3 H 1.24 . 2 316 27 Lys HD2 H 1.54 . 2 317 27 Lys HD3 H 1.54 . 2 318 27 Lys HE2 H 3.11 . 2 319 27 Lys HE3 H 3.11 . 2 320 27 Lys C C 176.5 . 1 321 27 Lys CA C 56.6 . 1 322 27 Lys CB C 34.8 . 1 323 27 Lys CG C 26.4 . 1 324 27 Lys CD C 29.6 . 1 325 27 Lys CE C 41.8 . 1 326 27 Lys N N 120.6 . 1 327 28 Glu H H 9.34 . 1 328 28 Glu HA H 5.49 . 1 329 28 Glu HB2 H 2.12 . 2 330 28 Glu HB3 H 2.12 . 2 331 28 Glu C C 175.1 . 1 332 28 Glu CA C 54.7 . 1 333 28 Glu CB C 35.3 . 1 334 28 Glu N N 122.2 . 1 335 29 Ile H H 9.01 . 1 336 29 Ile HA H 5.28 . 1 337 29 Ile HB H 1.82 . 1 338 29 Ile HG12 H 1.73 . 2 339 29 Ile HG13 H 1.25 . 2 340 29 Ile HG2 H 1.01 . 1 341 29 Ile HD1 H 1.05 . 1 342 29 Ile C C 174.4 . 1 343 29 Ile CA C 61.4 . 1 344 29 Ile CB C 38.3 . 1 345 29 Ile CG1 C 27.3 . 1 346 29 Ile CG2 C 17.3 . 1 347 29 Ile CD1 C 14.4 . 1 348 29 Ile N N 117.5 . 1 349 30 Asn H H 9.25 . 1 350 30 Asn HA H 5.51 . 1 351 30 Asn HB2 H 2.78 . 2 352 30 Asn HB3 H 2.65 . 2 353 30 Asn HD21 H 7.56 . 2 354 30 Asn HD22 H 6.96 . 2 355 30 Asn C C 174.1 . 1 356 30 Asn CA C 51.8 . 1 357 30 Asn CB C 44.9 . 1 358 30 Asn CG C 177.1 . 1 359 30 Asn N N 124.9 . 1 360 30 Asn ND2 N 111.9 . 1 361 31 Arg H H 9.01 . 1 362 31 Arg HA H 4.86 . 1 363 31 Arg HB2 H 1.32 . 2 364 31 Arg HB3 H 1.12 . 2 365 31 Arg HG2 H 0.97 . 2 366 31 Arg HG3 H 0.36 . 2 367 31 Arg HD2 H 2.69 . 2 368 31 Arg HD3 H 2.53 . 2 369 31 Arg HE H 6.88 . 1 370 31 Arg HH21 H 6.39 . 2 371 31 Arg C C 175.9 . 1 372 31 Arg CA C 55.8 . 1 373 31 Arg CB C 30.8 . 1 374 31 Arg CG C 28.2 . 1 375 31 Arg CD C 42.4 . 1 376 31 Arg N N 118 . 1 377 31 Arg NE N 82.8 . 1 378 32 Val H H 9.09 . 1 379 32 Val HA H 4.52 . 1 380 32 Val HB H 1.6 . 1 381 32 Val HG1 H 0.1 . 2 382 32 Val HG2 H 1 . 2 383 32 Val C C 175 . 1 384 32 Val CA C 60.8 . 1 385 32 Val CB C 36.4 . 1 386 32 Val CG1 C 21 . 2 387 32 Val CG2 C 23.7 . 2 388 32 Val N N 125 . 1 389 33 Ser H H 8.85 . 1 390 33 Ser HA H 4.58 . 1 391 33 Ser HB2 H 3.67 . 2 392 33 Ser HB3 H 3.57 . 2 393 33 Ser C C 174.3 . 1 394 33 Ser CA C 56.3 . 1 395 33 Ser CB C 64 . 1 396 33 Ser N N 122 . 1 397 34 Phe H H 8.78 . 1 398 34 Phe HA H 5.16 . 1 399 34 Phe HB2 H 3.02 . 2 400 34 Phe HB3 H 2.85 . 2 401 34 Phe HD1 H 7.26 . 3 402 34 Phe HD2 H 7.26 . 3 403 34 Phe HE1 H 7.46 . 3 404 34 Phe HE2 H 7.46 . 3 405 34 Phe HZ H 7.14 . 1 406 34 Phe C C 176.5 . 1 407 34 Phe CA C 57.4 . 1 408 34 Phe CB C 40.2 . 1 409 34 Phe CD1 C 132.2 . 3 410 34 Phe CD2 C 132.2 . 3 411 34 Phe CE1 C 131.7 . 3 412 34 Phe CE2 C 131.7 . 3 413 34 Phe CZ C 129.8 . 1 414 34 Phe N N 129.6 . 1 415 35 Asn H H 9.41 . 1 416 35 Asn HA H 4.42 . 1 417 35 Asn HB2 H 3.08 . 2 418 35 Asn HB3 H 2.75 . 2 419 35 Asn HD21 H 7.63 . 2 420 35 Asn HD22 H 6.71 . 2 421 35 Asn C C 175.3 . 1 422 35 Asn CA C 54.1 . 1 423 35 Asn CB C 37.6 . 1 424 35 Asn CG C 177.6 . 1 425 35 Asn N N 123.8 . 1 426 35 Asn ND2 N 112.7 . 1 427 36 Gly H H 8.77 . 1 428 36 Gly HA2 H 3.92 . 2 429 36 Gly HA3 H 3.5 . 2 430 36 Gly C C 173.8 . 1 431 36 Gly CA C 45.4 . 1 432 36 Gly N N 105.1 . 1 433 37 Ala H H 7.59 . 1 434 37 Ala HA H 4.56 . 1 435 37 Ala HB H 1.59 . 1 436 37 Ala CA C 51 . 1 437 37 Ala CB C 17.6 . 1 438 37 Ala N N 123.8 . 1 439 38 Pro HA H 4.26 . 1 440 38 Pro HB2 H 2.31 . 2 441 38 Pro HB3 H 1.74 . 2 442 38 Pro HG2 H 2.13 . 2 443 38 Pro HG3 H 1.99 . 2 444 38 Pro HD2 H 3.85 . 2 445 38 Pro HD3 H 3.59 . 2 446 38 Pro C C 177.3 . 1 447 38 Pro CA C 63.6 . 1 448 38 Pro CB C 31.6 . 1 449 38 Pro CG C 28.2 . 1 450 38 Pro CD C 50.3 . 1 451 39 Ala H H 8.76 . 1 452 39 Ala HA H 3.93 . 1 453 39 Ala HB H 0.95 . 1 454 39 Ala C C 176.7 . 1 455 39 Ala CA C 52.7 . 1 456 39 Ala CB C 18.9 . 1 457 39 Ala N N 126 . 1 458 40 Lys H H 7.97 . 1 459 40 Lys HA H 4.8 . 1 460 40 Lys HB2 H 2.23 . 2 461 40 Lys HB3 H 1.54 . 2 462 40 Lys HG2 H 1.66 . 2 463 40 Lys HG3 H 1.49 . 2 464 40 Lys HD2 H 1.68 . 2 465 40 Lys HD3 H 1.68 . 2 466 40 Lys HE2 H 2.99 . 2 467 40 Lys HE3 H 2.99 . 2 468 40 Lys C C 176.8 . 1 469 40 Lys CA C 54.2 . 1 470 40 Lys CB C 37.7 . 1 471 40 Lys CG C 25.5 . 1 472 40 Lys CD C 29.8 . 1 473 40 Lys CE C 42.4 . 1 474 40 Lys N N 120.1 . 1 475 41 Phe H H 8.63 . 1 476 41 Phe HA H 4.51 . 1 477 41 Phe HB2 H 2.85 . 2 478 41 Phe HB3 H 2.34 . 2 479 41 Phe HD1 H 6.53 . 3 480 41 Phe HD2 H 6.53 . 3 481 41 Phe C C 175.6 . 1 482 41 Phe CA C 60.6 . 1 483 41 Phe CB C 40.6 . 1 484 41 Phe CD1 C 130.8 . 3 485 41 Phe CD2 C 130.8 . 3 486 41 Phe N N 120.4 . 1 487 42 Asp H H 9.07 . 1 488 42 Asp HA H 5.6 . 1 489 42 Asp HB2 H 2.75 . 2 490 42 Asp HB3 H 2.56 . 2 491 42 Asp C C 175.1 . 1 492 42 Asp CA C 55.3 . 1 493 42 Asp CB C 47.6 . 1 494 42 Asp N N 124 . 1 495 43 Ile H H 9.16 . 1 496 43 Ile HA H 5.53 . 1 497 43 Ile HB H 2.02 . 1 498 43 Ile HG12 H 1.77 . 2 499 43 Ile HG13 H 1.16 . 2 500 43 Ile HG2 H 0.84 . 1 501 43 Ile HD1 H 0.89 . 1 502 43 Ile C C 174.5 . 1 503 43 Ile CA C 60.7 . 1 504 43 Ile CB C 38.9 . 1 505 43 Ile CG1 C 26.9 . 1 506 43 Ile CG2 C 16.9 . 1 507 43 Ile CD1 C 13.9 . 1 508 43 Ile N N 128.3 . 1 509 44 Arg H H 8.71 . 1 510 44 Arg HA H 4.81 . 1 511 44 Arg HB2 H 1.82 . 2 512 44 Arg HB3 H 1.66 . 2 513 44 Arg C C 173.5 . 1 514 44 Arg CA C 55.9 . 1 515 44 Arg CB C 34 . 1 516 44 Arg N N 124.6 . 1 517 45 Ala H H 7.53 . 1 518 45 Ala HA H 5.88 . 1 519 45 Ala HB H 1.53 . 1 520 45 Ala C C 176.2 . 1 521 45 Ala CA C 50.8 . 1 522 45 Ala CB C 21.4 . 1 523 45 Ala N N 124.4 . 1 524 46 Trp H H 9.23 . 1 525 46 Trp HA H 4.64 . 1 526 46 Trp HB2 H 2.8 . 2 527 46 Trp HB3 H 2.66 . 2 528 46 Trp HD1 H 7.07 . 1 529 46 Trp HE1 H 10.54 . 1 530 46 Trp HZ2 H 7.23 . 1 531 46 Trp C C 174.4 . 1 532 46 Trp CA C 56.3 . 1 533 46 Trp CB C 34.4 . 1 534 46 Trp CD1 C 126.9 . 1 535 46 Trp CZ2 C 112.9 . 1 536 46 Trp N N 120.8 . 1 537 46 Trp NE1 N 129.1 . 1 538 47 Ser H H 7.42 . 1 539 47 Ser HA H 4.8 . 1 540 47 Ser HB2 H 3.76 . 2 541 47 Ser HB3 H 2.7 . 2 542 47 Ser CA C 56.4 . 1 543 47 Ser CB C 61.1 . 1 544 47 Ser N N 116.2 . 1 545 48 Pro HA H 4.21 . 1 546 48 Pro HB2 H 2.33 . 2 547 48 Pro HB3 H 1.8 . 2 548 48 Pro HG2 H 2.07 . 2 549 48 Pro HG3 H 1.95 . 2 550 48 Pro HD2 H 3.37 . 2 551 48 Pro HD3 H 2.77 . 2 552 48 Pro C C 176.6 . 1 553 48 Pro CA C 65.4 . 1 554 48 Pro CB C 31.5 . 1 555 48 Pro CG C 27.2 . 1 556 48 Pro CD C 49.7 . 1 557 49 Asp H H 7.35 . 1 558 49 Asp HA H 4.69 . 1 559 49 Asp HB2 H 3.05 . 2 560 49 Asp HB3 H 2.58 . 2 561 49 Asp C C 176 . 1 562 49 Asp CA C 52.6 . 1 563 49 Asp CB C 40.5 . 1 564 49 Asp N N 111.7 . 1 565 50 His H H 8.28 . 1 566 50 His HA H 3.82 . 1 567 50 His HB2 H 3.3 . 2 568 50 His HB3 H 3.13 . 2 569 50 His HD2 H 5.94 . 1 570 50 His HE1 H 8.15 . 1 571 50 His C C 173.2 . 1 572 50 His CA C 60.4 . 1 573 50 His CB C 25.6 . 1 574 50 His CD2 C 117.8 . 1 575 50 His CE1 C 136.1 . 1 576 50 His N N 111.8 . 1 577 50 His ND1 N 180.5 . 1 578 50 His NE2 N 175.9 . 1 579 51 Thr H H 7.77 . 1 580 51 Thr HA H 4.56 . 1 581 51 Thr HB H 4.3 . 1 582 51 Thr HG2 H 1.14 . 1 583 51 Thr C C 174.8 . 1 584 51 Thr CA C 63.2 . 1 585 51 Thr CB C 70.3 . 1 586 51 Thr CG2 C 21.4 . 1 587 51 Thr N N 105.6 . 1 588 52 Lys H H 7.88 . 1 589 52 Lys HA H 4.72 . 1 590 52 Lys HB2 H 1.91 . 2 591 52 Lys HB3 H 1.46 . 2 592 52 Lys HG2 H 1.49 . 2 593 52 Lys HG3 H 1.49 . 2 594 52 Lys HD2 H 1.85 . 2 595 52 Lys HD3 H 1.72 . 2 596 52 Lys HE2 H 3.06 . 2 597 52 Lys HE3 H 3.06 . 2 598 52 Lys C C 173.5 . 1 599 52 Lys CA C 54.7 . 1 600 52 Lys CB C 35.9 . 1 601 52 Lys CG C 24.9 . 1 602 52 Lys CD C 29.3 . 1 603 52 Lys CE C 42.4 . 1 604 52 Lys N N 121.6 . 1 605 53 Met H H 8.45 . 1 606 53 Met HA H 4.4 . 1 607 53 Met HB2 H 1.05 . 2 608 53 Met HB3 H 0.97 . 2 609 53 Met HG2 H 1.82 . 2 610 53 Met HG3 H 1.7 . 2 611 53 Met HE H 1.43 . 1 612 53 Met C C 176.1 . 1 613 53 Met CA C 53.7 . 1 614 53 Met CB C 35.3 . 1 615 53 Met CG C 30.5 . 1 616 53 Met CE C 17 . 1 617 53 Met N N 118.1 . 1 618 54 Gly H H 8.33 . 1 619 54 Gly HA2 H 4.51 . 2 620 54 Gly HA3 H 3.66 . 2 621 54 Gly C C 173.3 . 1 622 54 Gly CA C 43.3 . 1 623 54 Gly N N 110.6 . 1 624 55 Lys H H 8.46 . 1 625 55 Lys HA H 4.24 . 1 626 55 Lys HB2 H 2 . 2 627 55 Lys HB3 H 1.76 . 2 628 55 Lys HG2 H 1.52 . 2 629 55 Lys HG3 H 1.46 . 2 630 55 Lys HD2 H 1.72 . 2 631 55 Lys HD3 H 1.72 . 2 632 55 Lys HE2 H 2.95 . 2 633 55 Lys HE3 H 2.95 . 2 634 55 Lys C C 177.5 . 1 635 55 Lys CA C 56.9 . 1 636 55 Lys CB C 32.8 . 1 637 55 Lys CG C 25.7 . 1 638 55 Lys CD C 29.2 . 1 639 55 Lys CE C 42.2 . 1 640 55 Lys N N 121.6 . 1 641 56 Gly H H 7.91 . 1 642 56 Gly HA2 H 4.27 . 2 643 56 Gly HA3 H 4.15 . 2 644 56 Gly C C 170.4 . 1 645 56 Gly CA C 46.8 . 1 646 56 Gly N N 110 . 1 647 57 Ile H H 8.94 . 1 648 57 Ile HA H 4.7 . 1 649 57 Ile HB H 1.53 . 1 650 57 Ile HG12 H 1.68 . 2 651 57 Ile HG13 H 1.15 . 2 652 57 Ile HG2 H 0.87 . 1 653 57 Ile HD1 H 0.93 . 1 654 57 Ile C C 170.9 . 1 655 57 Ile CA C 58.7 . 1 656 57 Ile CB C 43.4 . 1 657 57 Ile CG1 C 29 . 1 658 57 Ile CG2 C 16.1 . 1 659 57 Ile CD1 C 14.5 . 1 660 57 Ile N N 117.7 . 1 661 58 Thr H H 8.26 . 1 662 58 Thr HA H 5.26 . 1 663 58 Thr HB H 3.78 . 1 664 58 Thr HG2 H 1.38 . 1 665 58 Thr C C 173.9 . 1 666 58 Thr CA C 61.4 . 1 667 58 Thr CB C 70.3 . 1 668 58 Thr CG2 C 24.4 . 1 669 58 Thr N N 123.1 . 1 670 59 Leu H H 9.32 . 1 671 59 Leu HA H 5.12 . 1 672 59 Leu HB2 H 1.85 . 2 673 59 Leu HB3 H 1.75 . 2 674 59 Leu HG H 1.63 . 1 675 59 Leu HD1 H 0.91 . 2 676 59 Leu HD2 H 0.81 . 2 677 59 Leu C C 176 . 1 678 59 Leu CA C 53 . 1 679 59 Leu CB C 46 . 1 680 59 Leu CG C 27.5 . 1 681 59 Leu CD1 C 26.9 . 2 682 59 Leu CD2 C 24.6 . 2 683 59 Leu N N 126.3 . 1 684 60 Ser H H 9.63 . 1 685 60 Ser HA H 4.61 . 1 686 60 Ser HB2 H 4.54 . 2 687 60 Ser HB3 H 4.1 . 2 688 60 Ser C C 174.8 . 1 689 60 Ser CA C 57 . 1 690 60 Ser CB C 65.6 . 1 691 60 Ser N N 118.1 . 1 692 61 Asn H H 9.54 . 1 693 61 Asn HA H 4.64 . 1 694 61 Asn HB2 H 3.01 . 2 695 61 Asn HB3 H 2.97 . 2 696 61 Asn HD21 H 7.79 . 2 697 61 Asn HD22 H 7.07 . 2 698 61 Asn C C 177.8 . 1 699 61 Asn CA C 57.2 . 1 700 61 Asn CB C 37.5 . 1 701 61 Asn CG C 176 . 1 702 61 Asn N N 121.1 . 1 703 61 Asn ND2 N 112.2 . 1 704 62 Glu H H 8.95 . 1 705 62 Glu HA H 4.08 . 1 706 62 Glu HB2 H 2.1 . 2 707 62 Glu HB3 H 2 . 2 708 62 Glu HG2 H 2.51 . 2 709 62 Glu HG3 H 2.34 . 2 710 62 Glu C C 179.6 . 1 711 62 Glu CA C 60.4 . 1 712 62 Glu CB C 29 . 1 713 62 Glu CG C 36.5 . 1 714 62 Glu N N 119.4 . 1 715 63 Glu H H 8.07 . 1 716 63 Glu HA H 3.92 . 1 717 63 Glu HB2 H 1.75 . 2 718 63 Glu HB3 H 1.75 . 2 719 63 Glu HG2 H 2.45 . 2 720 63 Glu HG3 H 2.09 . 2 721 63 Glu C C 178.1 . 1 722 63 Glu CA C 59.2 . 1 723 63 Glu CB C 30.8 . 1 724 63 Glu CG C 37.5 . 1 725 63 Glu N N 121.6 . 1 726 64 Phe H H 8.71 . 1 727 64 Phe HA H 3.73 . 1 728 64 Phe HB2 H 2.57 . 2 729 64 Phe HB3 H 2.57 . 2 730 64 Phe HD1 H 6.34 . 3 731 64 Phe HD2 H 6.34 . 3 732 64 Phe HE1 H 6.60 . 3 733 64 Phe HE2 H 6.60 . 3 734 64 Phe HZ H 6.56 . 1 735 64 Phe C C 176.5 . 1 736 64 Phe CA C 62.4 . 1 737 64 Phe CB C 40.2 . 1 738 64 Phe CD1 C 130.9 . 3 739 64 Phe CD2 C 130.9 . 3 740 64 Phe CE1 C 130.2 . 3 741 64 Phe CE2 C 130.2 . 3 742 64 Phe CZ C 128.3 . 1 743 64 Phe N N 118.9 . 1 744 65 Gln H H 8.33 . 1 745 65 Gln HA H 3.64 . 1 746 65 Gln HB2 H 2.12 . 2 747 65 Gln HB3 H 2.05 . 2 748 65 Gln HG2 H 2.44 . 2 749 65 Gln HG3 H 2.38 . 2 750 65 Gln HE21 H 7.36 . 2 751 65 Gln HE22 H 6.91 . 2 752 65 Gln C C 178 . 1 753 65 Gln CA C 58.3 . 1 754 65 Gln CB C 28.2 . 1 755 65 Gln CG C 33.7 . 1 756 65 Gln CD C 180.2 . 1 757 65 Gln N N 117 . 1 758 65 Gln NE2 N 112.5 . 1 759 66 Thr H H 8.1 . 1 760 66 Thr HA H 3.75 . 1 761 66 Thr HB H 4.35 . 1 762 66 Thr HG2 H 1.23 . 1 763 66 Thr C C 176.1 . 1 764 66 Thr CA C 67.1 . 1 765 66 Thr CB C 68.3 . 1 766 66 Thr CG2 C 21.6 . 1 767 66 Thr N N 117 . 1 768 67 Met H H 7.47 . 1 769 67 Met HA H 3.34 . 1 770 67 Met HB2 H 1.65 . 2 771 67 Met HB3 H 1.65 . 2 772 67 Met HG2 H 1.83 . 2 773 67 Met HG3 H 1.65 . 2 774 67 Met HE H 1.65 . 1 775 67 Met C C 175.5 . 1 776 67 Met CA C 59.7 . 1 777 67 Met CB C 32.9 . 1 778 67 Met CG C 31.8 . 1 779 67 Met CE C 17 . 1 780 67 Met N N 121.7 . 1 781 68 Val H H 7.79 . 1 782 68 Val HA H 2.62 . 1 783 68 Val HB H 1.46 . 1 784 68 Val HG1 H 0.42 . 2 785 68 Val HG2 H -0.29 . 2 786 68 Val C C 178.3 . 1 787 68 Val CA C 66.6 . 1 788 68 Val CB C 31.3 . 1 789 68 Val CG1 C 21.4 . 2 790 68 Val CG2 C 21.8 . 2 791 68 Val N N 117.3 . 1 792 69 Asp H H 8.21 . 1 793 69 Asp HA H 4.22 . 1 794 69 Asp HB2 H 2.75 . 2 795 69 Asp HB3 H 2.65 . 2 796 69 Asp C C 178 . 1 797 69 Asp CA C 55.6 . 1 798 69 Asp CB C 37.7 . 1 799 69 Asp N N 115.9 . 1 800 70 Ala H H 7.51 . 1 801 70 Ala HA H 4.05 . 1 802 70 Ala HB H 1.22 . 1 803 70 Ala C C 179.9 . 1 804 70 Ala CA C 54.4 . 1 805 70 Ala CB C 19.3 . 1 806 70 Ala N N 122.1 . 1 807 71 Phe H H 7.65 . 1 808 71 Phe HA H 4.62 . 1 809 71 Phe HB2 H 3.3 . 2 810 71 Phe HB3 H 3.01 . 2 811 71 Phe HD1 H 7.15 . 3 812 71 Phe HD2 H 7.15 . 3 813 71 Phe HE1 H 7.00 . 3 814 71 Phe HE2 H 7.00 . 3 815 71 Phe HZ H 6.90 . 1 816 71 Phe C C 177 . 1 817 71 Phe CA C 57.8 . 1 818 71 Phe CB C 38.3 . 1 819 71 Phe CD1 C 131.3 . 3 820 71 Phe CD2 C 131.3 . 3 821 71 Phe CE1 C 130.5 . 3 822 71 Phe CE2 C 130.5 . 3 823 71 Phe CZ C 128.6 . 1 824 71 Phe N N 116.2 . 1 825 72 Lys H H 7.9 . 1 826 72 Lys HA H 4.18 . 1 827 72 Lys HB2 H 1.87 . 2 828 72 Lys HB3 H 1.87 . 2 829 72 Lys HG2 H 1.58 . 2 830 72 Lys HG3 H 1.49 . 2 831 72 Lys HD2 H 1.66 . 2 832 72 Lys HD3 H 1.66 . 2 833 72 Lys HE2 H 2.96 . 2 834 72 Lys HE3 H 2.96 . 2 835 72 Lys C C 177.2 . 1 836 72 Lys CA C 58.4 . 1 837 72 Lys CB C 32.8 . 1 838 72 Lys CG C 25.4 . 1 839 72 Lys CD C 29.4 . 1 840 72 Lys CE C 42.1 . 1 841 72 Lys N N 118.3 . 1 842 73 Gly H H 7.73 . 1 843 73 Gly HA2 H 4.11 . 2 844 73 Gly HA3 H 3.82 . 2 845 73 Gly C C 173.6 . 1 846 73 Gly CA C 45.2 . 1 847 73 Gly N N 107 . 1 848 74 Asn H H 8.26 . 1 849 74 Asn HA H 4.69 . 1 850 74 Asn HB2 H 2.84 . 2 851 74 Asn HB3 H 2.73 . 2 852 74 Asn HD21 H 7.58 . 2 853 74 Asn HD22 H 6.93 . 2 854 74 Asn C C 175.3 . 1 855 74 Asn CA C 53.5 . 1 856 74 Asn CB C 38.7 . 1 857 74 Asn N N 118.7 . 1 858 74 Asn ND2 N 112.8 . 1 859 75 Leu H H 8.35 . 1 860 75 Leu HA H 4.2 . 1 861 75 Leu HB2 H 1.56 . 2 862 75 Leu HB3 H 1.56 . 2 863 75 Leu HG H 1.57 . 1 864 75 Leu HD1 H 0.86 . 2 865 75 Leu HD2 H 0.78 . 2 866 75 Leu C C 177.2 . 1 867 75 Leu CA C 55.8 . 1 868 75 Leu CB C 42.2 . 1 869 75 Leu CG C 27.1 . 1 870 75 Leu CD1 C 25.2 . 2 871 75 Leu CD2 C 24.1 . 2 872 75 Leu N N 122.3 . 1 873 76 Glu H H 8.36 . 1 874 76 Glu HA H 4.16 . 1 875 76 Glu HB2 H 1.87 . 2 876 76 Glu HB3 H 1.87 . 2 877 76 Glu HG2 H 2.22 . 2 878 76 Glu HG3 H 2.14 . 2 879 76 Glu C C 176 . 1 880 76 Glu CA C 56.4 . 1 881 76 Glu CB C 29.9 . 1 882 76 Glu CG C 35.3 . 1 883 76 Glu N N 120.1 . 1 884 77 His H H 8.38 . 1 885 77 His HA H 4.62 . 1 886 77 His HB2 H 3.16 . 2 887 77 His HB3 H 3.05 . 2 888 77 His HD2 H 7.23 . 1 889 77 His C C 174.2 . 1 890 77 His CA C 55.1 . 1 891 77 His CB C 28.9 . 1 892 77 His N N 118.7 . 1 893 78 His H H 8.52 . 1 894 78 His HA H 4.64 . 1 895 78 His HB2 H 3.18 . 2 896 78 His HB3 H 3.09 . 2 897 78 His C C 174.2 . 1 898 78 His CA C 55.3 . 1 899 78 His CB C 29.1 . 1 900 78 His N N 119.1 . 1 901 79 His H H 8.66 . 1 902 79 His HA H 4.65 . 1 903 79 His HB2 H 3.18 . 2 904 79 His HB3 H 3.1 . 2 905 79 His C C 174.1 . 1 906 79 His CA C 55.2 . 1 907 79 His CB C 29.1 . 1 908 79 His N N 119.9 . 1 909 80 His H H 8.69 . 1 910 80 His HA H 4.65 . 1 911 80 His HB2 H 3.18 . 2 912 80 His HB3 H 3.12 . 2 913 80 His C C 174 . 1 914 80 His CA C 55.3 . 1 915 80 His CB C 29.3 . 1 916 80 His N N 120.6 . 1 917 81 His H H 8.56 . 1 918 81 His HA H 4.61 . 1 919 81 His HB2 H 3.19 . 2 920 81 His HB3 H 3.19 . 2 921 81 His C C 173.5 . 1 922 81 His CA C 55.4 . 1 923 81 His CB C 29.3 . 1 924 81 His N N 120.8 . 1 925 82 His H H 8.41 . 1 926 82 His HA H 4.41 . 1 927 82 His HB2 H 3.2 . 2 928 82 His HB3 H 3.1 . 2 929 82 His CA C 57.1 . 1 930 82 His CB C 29.6 . 1 931 82 His N N 125.7 . 1 stop_ save_