save_monomeric_polymer _Saveframe_category monomeric_polymer _Mol_type . _Mol_polymer_class . _Name_common . _Residue_count 88 _Mol_residue_sequence ; MTDFLAGIRI VGEDKNGMTN QITGVISKFD TNIRTIVLNA KDGIFTCNLM IFVKNTDKLT TLMDKLRKVQ GVFTVERLSN LEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 Met 2 Thr 3 Asp 4 Phe 5 Leu 6 Ala 7 Gly 8 Ile 9 Arg 10 Ile 11 Val 12 Gly 13 Glu 14 Asp 15 Lys 16 Asn 17 Gly 18 Met 19 Thr 20 Asn 21 Gln 22 Ile 23 Thr 24 Gly 25 Val 26 Ile 27 Ser 28 Lys 29 Phe 30 Asp 31 Thr 32 Asn 33 Ile 34 Arg 35 Thr 36 Ile 37 Val 38 Leu 39 Asn 40 Ala 41 Lys 42 Asp 43 Gly 44 Ile 45 Phe 46 Thr 47 Cys 48 Asn 49 Leu 50 Met 51 Ile 52 Phe 53 Val 54 Lys 55 Asn 56 Thr 57 Asp 58 Lys 59 Leu 60 Thr 61 Thr 62 Leu 63 Met 64 Asp 65 Lys 66 Leu 67 Arg 68 Lys 69 Val 70 Gln 71 Gly 72 Val 73 Phe 74 Thr 75 Val 76 Glu 77 Arg 78 Leu 79 Ser 80 Asn 81 Leu 82 Glu 83 His 84 His 85 His 86 His 87 His 88 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 2 Thr HA H 3.782 . 1 2 2 Thr HB H 4.147 . 1 3 2 Thr HG2 H 1.335 . 1 4 2 Thr C C 171.502 . 1 5 2 Thr CA C 61.906 . 1 6 2 Thr CB C 69.449 . 1 7 2 Thr CG2 C 21.549 . 1 8 3 Asp H H 8.636 . 1 9 3 Asp HA H 4.803 . 1 10 3 Asp HB2 H 2.282 . 2 11 3 Asp HB3 H 2.214 . 2 12 3 Asp C C 175.330 . 1 13 3 Asp CA C 54.454 . 1 14 3 Asp CB C 41.426 . 1 15 3 Asp N N 125.850 . 1 16 4 Phe H H 8.608 . 1 17 4 Phe HA H 5.042 . 1 18 4 Phe HB2 H 3.080 . 1 19 4 Phe HB3 H 3.080 . 1 20 4 Phe HD1 H 7.184 . 1 21 4 Phe HD2 H 7.184 . 1 22 4 Phe HE1 H 7.066 . 1 23 4 Phe HE2 H 7.066 . 1 24 4 Phe HZ H 6.967 . 1 25 4 Phe C C 172.986 . 1 26 4 Phe CA C 55.505 . 1 27 4 Phe CB C 41.288 . 1 28 4 Phe CD1 C 132.867 . 1 29 4 Phe CE1 C 130.475 . 1 30 4 Phe CZ C 128.691 . 1 31 4 Phe N N 117.566 . 1 32 5 Leu H H 8.498 . 1 33 5 Leu HA H 4.532 . 1 34 5 Leu HB2 H 1.684 . 1 35 5 Leu HB3 H 1.263 . 1 36 5 Leu HG H 1.266 . 1 37 5 Leu HD1 H 0.475 . 1 38 5 Leu HD2 H 0.695 . 1 39 5 Leu C C 175.330 . 1 40 5 Leu CA C 54.222 . 1 41 5 Leu CB C 42.932 . 1 42 5 Leu CG C 26.692 . 1 43 5 Leu CD1 C 23.132 . 1 44 5 Leu CD2 C 25.505 . 1 45 5 Leu N N 123.329 . 1 46 6 Ala H H 9.325 . 1 47 6 Ala HA H 4.769 . 1 48 6 Ala HB H 1.329 . 1 49 6 Ala C C 174.744 . 1 50 6 Ala CA C 50.500 . 1 51 6 Ala CB C 23.746 . 1 52 6 Ala N N 129.530 . 1 53 7 Gly H H 8.639 . 1 54 7 Gly HA2 H 5.721 . 1 55 7 Gly HA3 H 3.508 . 1 56 7 Gly C C 173.221 . 1 57 7 Gly CA C 45.351 . 1 58 7 Gly N N 106.888 . 1 59 8 Ile H H 9.356 . 1 60 8 Ile HA H 4.957 . 1 61 8 Ile HB H 1.568 . 1 62 8 Ile HG12 H 1.454 . 1 63 8 Ile HG13 H 0.941 . 1 64 8 Ile HG2 H 0.837 . 1 65 8 Ile HD1 H 0.676 . 1 66 8 Ile C C 172.986 . 1 67 8 Ile CA C 59.551 . 1 68 8 Ile CB C 43.405 . 1 69 8 Ile CG1 C 27.002 . 1 70 8 Ile CG2 C 18.861 . 1 71 8 Ile CD1 C 14.378 . 1 72 8 Ile N N 122.820 . 1 73 9 Arg H H 9.364 . 1 74 9 Arg HA H 5.609 . 1 75 9 Arg HB2 H 1.670 . 1 76 9 Arg HB3 H 1.670 . 1 77 9 Arg HG2 H 1.643 . 2 78 9 Arg HG3 H 1.305 . 2 79 9 Arg HD2 H 3.158 . 1 80 9 Arg HD3 H 3.158 . 1 81 9 Arg HE H 7.343 . 1 82 9 Arg C C 175.096 . 1 83 9 Arg CA C 54.192 . 1 84 9 Arg CB C 33.400 . 1 85 9 Arg CG C 27.615 . 1 86 9 Arg CD C 43.584 . 1 87 9 Arg N N 126.323 . 1 88 9 Arg NE N 84.728 . 1 89 10 Ile H H 9.479 . 1 90 10 Ile HA H 5.089 . 1 91 10 Ile HB H 1.782 . 1 92 10 Ile HG12 H 1.701 . 1 93 10 Ile HG13 H 1.112 . 1 94 10 Ile HG2 H 1.071 . 1 95 10 Ile HD1 H 0.949 . 1 96 10 Ile C C 174.275 . 1 97 10 Ile CA C 60.127 . 1 98 10 Ile CB C 42.651 . 1 99 10 Ile CG1 C 29.107 . 1 100 10 Ile CG2 C 20.391 . 1 101 10 Ile CD1 C 17.051 . 1 102 10 Ile N N 128.583 . 1 103 11 Val H H 8.581 . 1 104 11 Val HA H 4.793 . 1 105 11 Val HB H 1.985 . 1 106 11 Val HG1 H 0.989 . 1 107 11 Val HG2 H 0.914 . 1 108 11 Val C C 175.827 . 1 109 11 Val CA C 60.201 . 1 110 11 Val CB C 34.522 . 1 111 11 Val CG1 C 21.421 . 1 112 11 Val CG2 C 20.839 . 1 113 11 Val N N 126.323 . 1 114 12 Gly H H 7.713 . 1 115 12 Gly HA2 H 3.434 . 1 116 12 Gly HA3 H 3.563 . 1 117 12 Gly C C 170.332 . 1 118 12 Gly CA C 45.842 . 1 119 12 Gly N N 113.216 . 1 120 13 Glu H H 8.180 . 1 121 13 Glu HA H 4.387 . 1 122 13 Glu HB2 H 2.011 . 1 123 13 Glu HB3 H 2.120 . 1 124 13 Glu HG2 H 2.354 . 1 125 13 Glu HG3 H 2.354 . 1 126 13 Glu C C 175.409 . 1 127 13 Glu CA C 55.865 . 1 128 13 Glu CB C 31.102 . 1 129 13 Glu CG C 36.192 . 1 130 13 Glu N N 119.035 . 1 131 14 Asp H H 8.095 . 1 132 14 Asp HA H 4.888 . 1 133 14 Asp HB2 H 2.387 . 2 134 14 Asp HB3 H 2.072 . 2 135 14 Asp C C 174.991 . 1 136 14 Asp CA C 52.473 . 1 137 14 Asp CB C 40.364 . 1 138 14 Asp N N 122.877 . 1 139 15 Lys H H 7.345 . 1 140 15 Lys HA H 4.550 . 1 141 15 Lys HB2 H 1.843 . 2 142 15 Lys HB3 H 1.675 . 2 143 15 Lys HG2 H 1.339 . 1 144 15 Lys HG3 H 1.339 . 1 145 15 Lys HD2 H 1.674 . 1 146 15 Lys HD3 H 1.674 . 1 147 15 Lys HE2 H 2.978 . 1 148 15 Lys HE3 H 2.978 . 1 149 15 Lys C C 176.385 . 1 150 15 Lys CA C 54.554 . 1 151 15 Lys CB C 35.403 . 1 152 15 Lys CG C 24.595 . 1 153 15 Lys CD C 29.115 . 1 154 15 Lys CE C 42.041 . 1 155 15 Lys N N 120.221 . 1 156 16 Asn H H 9.025 . 1 157 16 Asn HA H 4.386 . 1 158 16 Asn HB2 H 2.783 . 2 159 16 Asn HB3 H 2.878 . 2 160 16 Asn HD21 H 7.709 . 2 161 16 Asn HD22 H 6.966 . 2 162 16 Asn C C 175.916 . 1 163 16 Asn CA C 54.966 . 1 164 16 Asn CB C 37.810 . 1 165 16 Asn N N 119.785 . 1 166 16 Asn ND2 N 113.561 . 1 167 17 Gly H H 8.780 . 1 168 17 Gly HA2 H 4.125 . 1 169 17 Gly HA3 H 3.970 . 1 170 17 Gly C C 176.151 . 1 171 17 Gly CA C 45.996 . 1 172 17 Gly N N 110.504 . 1 173 18 Met H H 7.989 . 1 174 18 Met HA H 4.359 . 1 175 18 Met HB2 H 2.144 . 1 176 18 Met HB3 H 2.494 . 1 177 18 Met HG2 H 2.912 . 2 178 18 Met HG3 H 2.507 . 2 179 18 Met HE H 2.014 . 1 180 18 Met C C 178.589 . 1 181 18 Met CA C 57.405 . 1 182 18 Met CB C 31.847 . 1 183 18 Met CG C 32.851 . 1 184 18 Met CE C 17.052 . 1 185 18 Met N N 121.860 . 1 186 19 Thr H H 8.807 . 1 187 19 Thr HA H 3.233 . 1 188 19 Thr HB H 3.743 . 1 189 19 Thr HG1 H 6.223 . 1 190 19 Thr HG2 H 0.931 . 1 191 19 Thr C C 177.909 . 1 192 19 Thr CA C 65.516 . 1 193 19 Thr CB C 67.000 . 1 194 19 Thr CG2 C 23.673 . 1 195 19 Thr N N 111.351 . 1 196 20 Asn H H 7.936 . 1 197 20 Asn HA H 4.083 . 1 198 20 Asn HB2 H 3.087 . 2 199 20 Asn HB3 H 2.818 . 2 200 20 Asn HD21 H 7.263 . 1 201 20 Asn HD22 H 7.109 . 1 202 20 Asn C C 176.854 . 1 203 20 Asn CA C 57.669 . 1 204 20 Asn CB C 36.625 . 1 205 20 Asn N N 121.577 . 1 206 20 Asn ND2 N 113.162 . 1 207 21 Gln H H 8.433 . 1 208 21 Gln HA H 4.046 . 1 209 21 Gln HB2 H 2.243 . 1 210 21 Gln HB3 H 2.155 . 1 211 21 Gln HG2 H 2.244 . 1 212 21 Gln HG3 H 2.426 . 1 213 21 Gln HE21 H 7.100 . 1 214 21 Gln HE22 H 6.937 . 1 215 21 Gln C C 179.550 . 1 216 21 Gln CA C 59.187 . 1 217 21 Gln CB C 28.512 . 1 218 21 Gln CG C 33.921 . 1 219 21 Gln N N 120.250 . 1 220 21 Gln NE2 N 110.919 . 1 221 22 Ile H H 8.779 . 1 222 22 Ile HA H 3.823 . 1 223 22 Ile HB H 1.691 . 1 224 22 Ile HG12 H 1.377 . 2 225 22 Ile HG13 H 1.245 . 2 226 22 Ile HG2 H 0.681 . 1 227 22 Ile HD1 H 0.780 . 1 228 22 Ile C C 176.854 . 1 229 22 Ile CA C 61.611 . 1 230 22 Ile CB C 36.935 . 1 231 22 Ile CG1 C 28.268 . 1 232 22 Ile CG2 C 17.966 . 1 233 22 Ile CD1 C 12.378 . 1 234 22 Ile N N 119.497 . 1 235 23 Thr H H 7.478 . 1 236 23 Thr HA H 3.523 . 1 237 23 Thr HB H 3.876 . 1 238 23 Thr HG1 H 4.147 . 1 239 23 Thr HG2 H 0.935 . 1 240 23 Thr C C 176.502 . 1 241 23 Thr CA C 67.006 . 1 242 23 Thr CB C 67.305 . 1 243 23 Thr CG2 C 22.208 . 1 244 23 Thr N N 115.702 . 1 245 24 Gly H H 8.011 . 1 246 24 Gly HA2 H 3.880 . 2 247 24 Gly HA3 H 3.672 . 2 248 24 Gly C C 176.385 . 1 249 24 Gly CA C 47.163 . 1 250 24 Gly N N 110.691 . 1 251 25 Val H H 7.898 . 1 252 25 Val HA H 3.473 . 1 253 25 Val HB H 2.067 . 1 254 25 Val HG1 H 0.762 . 1 255 25 Val HG2 H 1.035 . 1 256 25 Val C C 178.286 . 1 257 25 Val CA C 66.432 . 1 258 25 Val CB C 31.925 . 1 259 25 Val CG1 C 21.272 . 1 260 25 Val CG2 C 22.506 . 1 261 25 Val N N 123.276 . 1 262 26 Ile H H 7.646 . 1 263 26 Ile HA H 2.698 . 1 264 26 Ile HB H 1.571 . 1 265 26 Ile HG12 H 1.577 . 2 266 26 Ile HG13 H 0.828 . 2 267 26 Ile HG2 H 0.682 . 1 268 26 Ile HD1 H 0.675 . 1 269 26 Ile C C 177.440 . 1 270 26 Ile CA C 64.163 . 1 271 26 Ile CB C 37.876 . 1 272 26 Ile CG1 C 28.639 . 1 273 26 Ile CG2 C 17.676 . 1 274 26 Ile CD1 C 14.465 . 1 275 26 Ile N N 116.606 . 1 276 27 Ser H H 7.783 . 1 277 27 Ser HA H 3.908 . 1 278 27 Ser HB2 H 4.007 . 2 279 27 Ser HB3 H 3.743 . 2 280 27 Ser HG H 5.387 . 1 281 27 Ser C C 175.330 . 1 282 27 Ser CA C 61.465 . 1 283 27 Ser CB C 63.388 . 1 284 27 Ser N N 112.932 . 1 285 28 Lys H H 7.008 . 1 286 28 Lys HA H 4.234 . 1 287 28 Lys HB2 H 1.986 . 2 288 28 Lys HB3 H 1.793 . 2 289 28 Lys HG2 H 1.424 . 2 290 28 Lys HG3 H 1.557 . 2 291 28 Lys HD2 H 1.580 . 2 292 28 Lys HD3 H 1.640 . 2 293 28 Lys HE2 H 2.911 . 1 294 28 Lys HE3 H 2.911 . 1 295 28 Lys C C 177.323 . 1 296 28 Lys CA C 56.161 . 1 297 28 Lys CB C 32.742 . 1 298 28 Lys CG C 25.177 . 1 299 28 Lys CD C 28.803 . 1 300 28 Lys CE C 42.029 . 1 301 28 Lys N N 118.978 . 1 302 29 Phe H H 7.691 . 1 303 29 Phe HA H 4.576 . 1 304 29 Phe HB2 H 3.336 . 2 305 29 Phe HB3 H 3.073 . 2 306 29 Phe HD1 H 7.151 . 1 307 29 Phe HD2 H 7.151 . 1 308 29 Phe HE1 H 7.065 . 1 309 29 Phe HE2 H 7.065 . 1 310 29 Phe HZ H 7.036 . 1 311 29 Phe C C 175.841 . 1 312 29 Phe CA C 56.366 . 1 313 29 Phe CB C 38.723 . 1 314 29 Phe CD1 C 131.074 . 1 315 29 Phe CE1 C 130.687 . 1 316 29 Phe CZ C 128.731 . 1 317 29 Phe N N 120.755 . 1 318 30 Asp H H 8.388 . 1 319 30 Asp HA H 4.650 . 1 320 30 Asp HB2 H 2.630 . 1 321 30 Asp HB3 H 2.630 . 1 322 30 Asp C C 175.096 . 1 323 30 Asp CA C 53.331 . 1 324 30 Asp CB C 38.691 . 1 325 30 Asp N N 122.230 . 1 326 31 Thr H H 7.663 . 1 327 31 Thr HA H 4.558 . 1 328 31 Thr HB H 4.077 . 1 329 31 Thr HG2 H 1.086 . 1 330 31 Thr C C 173.297 . 1 331 31 Thr CA C 59.333 . 1 332 31 Thr CB C 70.319 . 1 333 31 Thr CG2 C 21.290 . 1 334 31 Thr N N 112.538 . 1 335 32 Asn H H 8.308 . 1 336 32 Asn HA H 4.910 . 1 337 32 Asn HB2 H 2.975 . 2 338 32 Asn HB3 H 2.869 . 2 339 32 Asn HD21 H 7.499 . 2 340 32 Asn HD22 H 6.870 . 2 341 32 Asn C C 175.447 . 1 342 32 Asn CA C 52.732 . 1 343 32 Asn CB C 39.337 . 1 344 32 Asn N N 121.973 . 1 345 32 Asn ND2 N 109.919 . 1 346 33 Ile H H 8.320 . 1 347 33 Ile HA H 3.846 . 1 348 33 Ile HB H 1.482 . 1 349 33 Ile HG12 H 1.751 . 1 350 33 Ile HG13 H 0.680 . 1 351 33 Ile HG2 H 0.638 . 1 352 33 Ile HD1 H 0.678 . 1 353 33 Ile C C 175.230 . 1 354 33 Ile CA C 63.300 . 1 355 33 Ile CB C 39.167 . 1 356 33 Ile CG1 C 27.655 . 1 357 33 Ile CG2 C 17.382 . 1 358 33 Ile CD1 C 14.527 . 1 359 33 Ile N N 125.984 . 1 360 34 Arg H H 8.858 . 1 361 34 Arg HA H 4.538 . 1 362 34 Arg HB2 H 1.510 . 2 363 34 Arg HB3 H 1.927 . 2 364 34 Arg HG2 H 1.503 . 2 365 34 Arg HG3 H 1.425 . 2 366 34 Arg HD2 H 2.899 . 2 367 34 Arg HD3 H 2.754 . 2 368 34 Arg HE H 6.559 . 1 369 34 Arg C C 175.565 . 1 370 34 Arg CA C 54.900 . 1 371 34 Arg CB C 30.275 . 1 372 34 Arg CG C 24.976 . 1 373 34 Arg CD C 41.134 . 1 374 34 Arg N N 126.537 . 1 375 34 Arg NE N 82.073 . 1 376 35 Thr H H 7.698 . 1 377 35 Thr HA H 5.311 . 1 378 35 Thr HB H 3.764 . 1 379 35 Thr HG2 H 1.283 . 1 380 35 Thr C C 173.807 . 1 381 35 Thr CA C 61.040 . 1 382 35 Thr CB C 74.055 . 1 383 35 Thr CG2 C 22.495 . 1 384 35 Thr N N 111.895 . 1 385 36 Ile H H 8.907 . 1 386 36 Ile HA H 4.753 . 1 387 36 Ile HB H 1.552 . 1 388 36 Ile HG12 H 0.844 . 1 389 36 Ile HG13 H 1.491 . 1 390 36 Ile HG2 H 0.751 . 1 391 36 Ile HD1 H 0.743 . 1 392 36 Ile C C 174.275 . 1 393 36 Ile CA C 61.400 . 1 394 36 Ile CB C 42.569 . 1 395 36 Ile CG1 C 27.882 . 1 396 36 Ile CG2 C 17.219 . 1 397 36 Ile CD1 C 14.358 . 1 398 36 Ile N N 123.257 . 1 399 37 Val H H 8.933 . 1 400 37 Val HA H 4.903 . 1 401 37 Val HB H 2.076 . 1 402 37 Val HG1 H 0.962 . 1 403 37 Val HG2 H 1.008 . 1 404 37 Val C C 174.684 . 1 405 37 Val CA C 62.100 . 1 406 37 Val CB C 34.186 . 1 407 37 Val CG1 C 21.261 . 1 408 37 Val CG2 C 20.724 . 1 409 37 Val N N 126.323 . 1 410 38 Leu H H 9.751 . 1 411 38 Leu HA H 5.636 . 1 412 38 Leu HB2 H 1.561 . 1 413 38 Leu HB3 H 1.561 . 1 414 38 Leu HG H 1.574 . 1 415 38 Leu HD1 H 0.668 . 1 416 38 Leu HD2 H 0.570 . 1 417 38 Leu C C 174.510 . 1 418 38 Leu CA C 53.810 . 1 419 38 Leu CB C 45.655 . 1 420 38 Leu CG C 27.894 . 1 421 38 Leu CD1 C 26.380 . 1 422 38 Leu CD2 C 24.312 . 1 423 38 Leu N N 133.332 . 1 424 39 Asn H H 8.952 . 1 425 39 Asn HA H 5.450 . 1 426 39 Asn HB2 H 2.649 . 1 427 39 Asn HB3 H 2.649 . 1 428 39 Asn HD21 H 7.682 . 2 429 39 Asn HD22 H 6.735 . 2 430 39 Asn C C 172.869 . 1 431 39 Asn CA C 53.137 . 1 432 39 Asn CB C 43.287 . 1 433 39 Asn N N 123.262 . 1 434 39 Asn ND2 N 113.464 . 1 435 40 Ala H H 8.467 . 1 436 40 Ala HA H 5.345 . 1 437 40 Ala HB H 1.335 . 1 438 40 Ala C C 175.447 . 1 439 40 Ala CA C 51.370 . 1 440 40 Ala CB C 20.975 . 1 441 40 Ala N N 127.058 . 1 442 41 Lys H H 8.865 . 1 443 41 Lys HA H 4.435 . 1 444 41 Lys HB2 H 1.815 . 1 445 41 Lys HB3 H 1.815 . 1 446 41 Lys HG2 H 1.335 . 1 447 41 Lys HG3 H 1.335 . 1 448 41 Lys HD2 H 1.624 . 1 449 41 Lys HD3 H 1.624 . 1 450 41 Lys HE2 H 2.975 . 1 451 41 Lys HE3 H 2.975 . 1 452 41 Lys C C 175.565 . 1 453 41 Lys CA C 56.736 . 1 454 41 Lys CB C 34.811 . 1 455 41 Lys CG C 23.995 . 1 456 41 Lys CD C 29.321 . 1 457 41 Lys CE C 42.031 . 1 458 41 Lys N N 121.996 . 1 459 42 Asp H H 9.197 . 1 460 42 Asp HA H 4.373 . 1 461 42 Asp HB2 H 2.752 . 2 462 42 Asp HB3 H 3.001 . 2 463 42 Asp C C 175.447 . 1 464 42 Asp CA C 55.547 . 1 465 42 Asp CB C 39.485 . 1 466 42 Asp N N 122.213 . 1 467 43 Gly H H 9.306 . 1 468 43 Gly HA2 H 4.443 . 2 469 43 Gly HA3 H 3.816 . 2 470 43 Gly C C 174.979 . 1 471 43 Gly CA C 45.661 . 1 472 43 Gly N N 104.610 . 1 473 44 Ile H H 8.117 . 1 474 44 Ile HA H 5.112 . 1 475 44 Ile HB H 2.005 . 1 476 44 Ile HG12 H 1.482 . 2 477 44 Ile HG13 H 1.216 . 2 478 44 Ile HG2 H 0.937 . 1 479 44 Ile HD1 H 0.859 . 1 480 44 Ile C C 175.213 . 1 481 44 Ile CA C 59.040 . 1 482 44 Ile CB C 42.013 . 1 483 44 Ile CG1 C 26.391 . 1 484 44 Ile CG2 C 18.002 . 1 485 44 Ile CD1 C 12.567 . 1 486 44 Ile N N 122.284 . 1 487 45 Phe H H 8.955 . 1 488 45 Phe HA H 5.740 . 1 489 45 Phe HB2 H 2.468 . 2 490 45 Phe HB3 H 2.875 . 2 491 45 Phe HD1 H 6.672 . 1 492 45 Phe HD2 H 6.672 . 1 493 45 Phe HE1 H 6.944 . 1 494 45 Phe HE2 H 6.944 . 1 495 45 Phe HZ H 6.774 . 1 496 45 Phe C C 172.283 . 1 497 45 Phe CA C 55.872 . 1 498 45 Phe CB C 42.740 . 1 499 45 Phe CD1 C 131.532 . 1 500 45 Phe CE1 C 130.421 . 1 501 45 Phe CZ C 127.768 . 1 502 45 Phe N N 121.747 . 1 503 46 Thr H H 8.659 . 1 504 46 Thr HA H 5.111 . 1 505 46 Thr HB H 4.058 . 1 506 46 Thr HG1 H 5.613 . 1 507 46 Thr HG2 H 1.203 . 1 508 46 Thr C C 174.041 . 1 509 46 Thr CA C 59.750 . 1 510 46 Thr CB C 71.380 . 1 511 46 Thr CG2 C 21.301 . 1 512 46 Thr N N 113.420 . 1 513 47 Cys H H 9.619 . 1 514 47 Cys HA H 5.562 . 1 515 47 Cys HB2 H 2.605 . 2 516 47 Cys HB3 H 2.995 . 2 517 47 Cys HG H 1.093 . 1 518 47 Cys C C 172.283 . 1 519 47 Cys CA C 56.776 . 1 520 47 Cys CB C 29.112 . 1 521 47 Cys N N 124.781 . 1 522 48 Asn H H 9.293 . 1 523 48 Asn HA H 5.629 . 1 524 48 Asn HB2 H 2.708 . 2 525 48 Asn HB3 H 2.470 . 2 526 48 Asn HD21 H 7.191 . 2 527 48 Asn HD22 H 6.787 . 2 528 48 Asn C C 173.455 . 1 529 48 Asn CA C 51.962 . 1 530 48 Asn CB C 40.059 . 1 531 48 Asn N N 129.520 . 1 532 48 Asn ND2 N 109.781 . 1 533 49 Leu H H 9.435 . 1 534 49 Leu HA H 5.158 . 1 535 49 Leu HB2 H 1.805 . 2 536 49 Leu HB3 H 1.326 . 2 537 49 Leu HG H 1.557 . 1 538 49 Leu HD1 H 0.918 . 1 539 49 Leu HD2 H 0.856 . 1 540 49 Leu C C 174.510 . 1 541 49 Leu CA C 53.178 . 1 542 49 Leu CB C 46.402 . 1 543 49 Leu CG C 27.294 . 1 544 49 Leu CD1 C 25.483 . 1 545 49 Leu CD2 C 26.426 . 1 546 49 Leu N N 125.541 . 1 547 50 Met H H 8.978 . 1 548 50 Met HA H 5.723 . 1 549 50 Met HB2 H 2.029 . 2 550 50 Met HB3 H 1.868 . 2 551 50 Met HG2 H 2.518 . 2 552 50 Met HG3 H 2.378 . 2 553 50 Met HE H 1.910 . 1 554 50 Met C C 175.682 . 1 555 50 Met CA C 54.073 . 1 556 50 Met CB C 33.643 . 1 557 50 Met CG C 32.262 . 1 558 50 Met CE C 17.384 . 1 559 50 Met N N 123.131 . 1 560 51 Ile H H 9.056 . 1 561 51 Ile HA H 5.044 . 1 562 51 Ile HB H 1.831 . 1 563 51 Ile HG12 H 1.332 . 2 564 51 Ile HG13 H 0.992 . 2 565 51 Ile HG2 H 0.848 . 1 566 51 Ile HD1 H 0.625 . 1 567 51 Ile C C 173.689 . 1 568 51 Ile CA C 58.495 . 1 569 51 Ile CB C 41.447 . 1 570 51 Ile CG1 C 24.899 . 1 571 51 Ile CG2 C 18.577 . 1 572 51 Ile CD1 C 13.456 . 1 573 51 Ile N N 118.753 . 1 574 52 Phe H H 8.324 . 1 575 52 Phe HA H 5.345 . 1 576 52 Phe HB2 H 2.866 . 1 577 52 Phe HB3 H 3.009 . 1 578 52 Phe HD1 H 7.002 . 1 579 52 Phe HD2 H 7.002 . 1 580 52 Phe HE1 H 7.314 . 1 581 52 Phe HE2 H 7.314 . 1 582 52 Phe HZ H 7.314 . 1 583 52 Phe C C 176.084 . 1 584 52 Phe CA C 56.478 . 1 585 52 Phe CB C 40.520 . 1 586 52 Phe CD1 C 130.696 . 1 587 52 Phe CE1 C 131.523 . 1 588 52 Phe CZ C 129.844 . 1 589 52 Phe N N 120.910 . 1 590 53 Val H H 8.865 . 1 591 53 Val HA H 4.663 . 1 592 53 Val HB H 1.793 . 1 593 53 Val HG1 H 0.591 . 1 594 53 Val HG2 H 0.460 . 1 595 53 Val C C 174.812 . 1 596 53 Val CA C 58.881 . 1 597 53 Val CB C 35.707 . 1 598 53 Val CG1 C 21.796 . 1 599 53 Val CG2 C 20.230 . 1 600 53 Val N N 118.244 . 1 601 54 Lys H H 8.335 . 1 602 54 Lys HA H 4.324 . 1 603 54 Lys HB2 H 1.780 . 2 604 54 Lys HB3 H 1.703 . 2 605 54 Lys HG2 H 1.531 . 2 606 54 Lys HG3 H 1.468 . 2 607 54 Lys HD2 H 1.686 . 1 608 54 Lys HD3 H 1.686 . 1 609 54 Lys HE2 H 3.011 . 1 610 54 Lys HE3 H 3.011 . 1 611 54 Lys C C 176.655 . 1 612 54 Lys CA C 58.039 . 1 613 54 Lys CB C 33.974 . 1 614 54 Lys CG C 24.844 . 1 615 54 Lys CD C 29.076 . 1 616 54 Lys CE C 41.756 . 1 617 54 Lys N N 120.334 . 1 618 55 Asn H H 7.235 . 1 619 55 Asn HA H 4.888 . 1 620 55 Asn HB2 H 3.355 . 2 621 55 Asn HB3 H 3.247 . 2 622 55 Asn HD21 H 6.981 . 2 623 55 Asn HD22 H 7.683 . 2 624 55 Asn C C 175.083 . 1 625 55 Asn CA C 52.173 . 1 626 55 Asn CB C 39.333 . 1 627 55 Asn N N 108.018 . 1 628 55 Asn ND2 N 113.725 . 1 629 56 Thr H H 8.865 . 1 630 56 Thr HA H 4.036 . 1 631 56 Thr HB H 4.327 . 1 632 56 Thr HG2 H 1.300 . 1 633 56 Thr C C 178.637 . 1 634 56 Thr CA C 65.800 . 1 635 56 Thr CB C 68.341 . 1 636 56 Thr CG2 C 22.509 . 1 637 56 Thr N N 113.338 . 1 638 57 Asp H H 8.384 . 1 639 57 Asp HA H 4.467 . 1 640 57 Asp HB2 H 2.673 . 1 641 57 Asp HB3 H 2.673 . 1 642 57 Asp CA C 57.400 . 1 643 57 Asp CB C 39.938 . 1 644 57 Asp N N 124.402 . 1 645 58 Lys H H 8.266 . 1 646 58 Lys HA H 4.172 . 1 647 58 Lys HB2 H 1.894 . 2 648 58 Lys HB3 H 1.961 . 2 649 58 Lys HG2 H 1.687 . 1 650 58 Lys HG3 H 1.446 . 1 651 58 Lys HD2 H 1.751 . 1 652 58 Lys HD3 H 1.751 . 1 653 58 Lys HE2 H 2.942 . 2 654 58 Lys HE3 H 2.892 . 2 655 58 Lys HZ H 7.065 . 1 656 58 Lys C C 178.378 . 1 657 58 Lys CA C 57.695 . 1 658 58 Lys CB C 31.763 . 1 659 58 Lys CG C 24.459 . 1 660 58 Lys CD C 28.223 . 1 661 58 Lys CE C 41.883 . 1 662 58 Lys N N 120.194 . 1 663 59 Leu H H 7.302 . 1 664 59 Leu HA H 3.907 . 1 665 59 Leu HB2 H 2.233 . 2 666 59 Leu HB3 H 1.495 . 2 667 59 Leu HG H 1.653 . 1 668 59 Leu HD1 H 0.861 . 1 669 59 Leu HD2 H 0.962 . 1 670 59 Leu C C 177.909 . 1 671 59 Leu CA C 57.979 . 1 672 59 Leu CB C 41.727 . 1 673 59 Leu CG C 26.993 . 1 674 59 Leu CD1 C 23.382 . 1 675 59 Leu CD2 C 25.509 . 1 676 59 Leu N N 118.583 . 1 677 60 Thr H H 8.500 . 1 678 60 Thr HA H 3.845 . 1 679 60 Thr HB H 4.406 . 1 680 60 Thr HG2 H 1.278 . 1 681 60 Thr C C 176.502 . 1 682 60 Thr CA C 66.691 . 1 683 60 Thr CB C 68.390 . 1 684 60 Thr CG2 C 21.907 . 1 685 60 Thr N N 115.462 . 1 686 61 Thr H H 7.996 . 1 687 61 Thr HA H 4.053 . 1 688 61 Thr HB H 4.307 . 1 689 61 Thr HG2 H 1.312 . 1 690 61 Thr C C 176.502 . 1 691 61 Thr CA C 66.420 . 1 692 61 Thr CB C 68.549 . 1 693 61 Thr CG2 C 21.778 . 1 694 61 Thr N N 117.698 . 1 695 62 Leu H H 7.717 . 1 696 62 Leu HA H 3.542 . 1 697 62 Leu HB2 H 1.260 . 1 698 62 Leu HB3 H 1.047 . 1 699 62 Leu HG H 1.328 . 1 700 62 Leu HD1 H 0.335 . 1 701 62 Leu HD2 H 0.133 . 1 702 62 Leu C C 178.612 . 1 703 62 Leu CA C 57.988 . 1 704 62 Leu CB C 40.241 . 1 705 62 Leu CG C 25.773 . 1 706 62 Leu CD1 C 24.292 . 1 707 62 Leu CD2 C 22.720 . 1 708 62 Leu N N 122.534 . 1 709 63 Met H H 8.230 . 1 710 63 Met HA H 3.771 . 1 711 63 Met HB2 H 2.275 . 2 712 63 Met HB3 H 1.970 . 2 713 63 Met HG2 H 2.829 . 1 714 63 Met HG3 H 1.982 . 1 715 63 Met HE H 2.024 . 1 716 63 Met C C 177.674 . 1 717 63 Met CA C 60.699 . 1 718 63 Met CB C 33.024 . 1 719 63 Met CG C 32.723 . 1 720 63 Met CE C 16.436 . 1 721 63 Met N N 116.719 . 1 722 64 Asp H H 8.263 . 1 723 64 Asp HA H 4.401 . 1 724 64 Asp HB2 H 2.812 . 1 725 64 Asp HB3 H 2.645 . 1 726 64 Asp C C 178.378 . 1 727 64 Asp CA C 57.400 . 1 728 64 Asp CB C 40.703 . 1 729 64 Asp N N 118.611 . 1 730 65 Lys H H 7.755 . 1 731 65 Lys HA H 3.970 . 1 732 65 Lys HB2 H 2.051 . 1 733 65 Lys HB3 H 1.876 . 1 734 65 Lys HG2 H 1.635 . 1 735 65 Lys HG3 H 1.505 . 1 736 65 Lys HD2 H 1.725 . 2 737 65 Lys HD3 H 1.628 . 2 738 65 Lys HE2 H 2.991 . 1 739 65 Lys HE3 H 2.991 . 1 740 65 Lys C C 179.922 . 1 741 65 Lys CA C 59.466 . 1 742 65 Lys CB C 32.372 . 1 743 65 Lys CG C 25.487 . 1 744 65 Lys CD C 29.220 . 1 745 65 Lys CE C 42.046 . 1 746 65 Lys N N 118.452 . 1 747 66 Leu H H 7.768 . 1 748 66 Leu HA H 4.066 . 1 749 66 Leu HB2 H 2.204 . 2 750 66 Leu HB3 H 1.266 . 2 751 66 Leu HG H 1.968 . 1 752 66 Leu HD1 H 0.864 . 1 753 66 Leu HD2 H 0.870 . 1 754 66 Leu C C 177.557 . 1 755 66 Leu CA C 57.550 . 1 756 66 Leu CB C 43.218 . 1 757 66 Leu CG C 26.979 . 1 758 66 Leu CD1 C 26.104 . 1 759 66 Leu CD2 C 23.102 . 1 760 66 Leu N N 118.471 . 1 761 67 Arg H H 8.017 . 1 762 67 Arg HA H 3.855 . 1 763 67 Arg HB2 H 1.926 . 1 764 67 Arg HB3 H 1.926 . 1 765 67 Arg HG2 H 1.685 . 2 766 67 Arg HG3 H 1.838 . 2 767 67 Arg HD2 H 3.303 . 1 768 67 Arg HD3 H 3.303 . 1 769 67 Arg HE H 7.513 . 1 770 67 Arg C C 177.440 . 1 771 67 Arg CA C 58.584 . 1 772 67 Arg CB C 30.313 . 1 773 67 Arg CG C 29.776 . 1 774 67 Arg CD C 43.253 . 1 775 67 Arg N N 115.702 . 1 776 67 Arg NE N 85.751 . 1 777 68 Lys H H 7.168 . 1 778 68 Lys HA H 4.198 . 1 779 68 Lys HB2 H 2.071 . 1 780 68 Lys HB3 H 1.797 . 1 781 68 Lys HG2 H 1.638 . 2 782 68 Lys HG3 H 1.515 . 2 783 68 Lys HD2 H 1.636 . 2 784 68 Lys HD3 H 1.689 . 2 785 68 Lys HE2 H 2.987 . 1 786 68 Lys HE3 H 2.987 . 1 787 68 Lys C C 176.502 . 1 788 68 Lys CA C 56.149 . 1 789 68 Lys CB C 32.725 . 1 790 68 Lys CG C 25.468 . 1 791 68 Lys CD C 28.808 . 1 792 68 Lys CE C 42.056 . 1 793 68 Lys N N 115.213 . 1 794 69 Val H H 7.348 . 1 795 69 Val HA H 3.776 . 1 796 69 Val HB H 2.272 . 1 797 69 Val HG1 H 0.854 . 1 798 69 Val HG2 H 1.069 . 1 799 69 Val C C 175.916 . 1 800 69 Val CA C 63.134 . 1 801 69 Val CB C 31.075 . 1 802 69 Val CG1 C 21.295 . 1 803 69 Val CG2 C 22.030 . 1 804 69 Val N N 123.611 . 1 805 70 Gln H H 8.632 . 1 806 70 Gln HA H 4.072 . 1 807 70 Gln HB2 H 2.073 . 1 808 70 Gln HB3 H 2.073 . 1 809 70 Gln HG2 H 2.449 . 1 810 70 Gln HG3 H 2.449 . 1 811 70 Gln HE21 H 7.624 . 2 812 70 Gln HE22 H 6.918 . 2 813 70 Gln C C 176.151 . 1 814 70 Gln CA C 57.800 . 1 815 70 Gln CB C 28.100 . 1 816 70 Gln CG C 33.839 . 1 817 70 Gln N N 130.070 . 1 818 70 Gln NE2 N 112.683 . 1 819 71 Gly H H 8.783 . 1 820 71 Gly HA2 H 4.598 . 2 821 71 Gly HA3 H 3.677 . 2 822 71 Gly C C 173.924 . 1 823 71 Gly CA C 44.941 . 1 824 71 Gly N N 113.801 . 1 825 72 Val H H 7.805 . 1 826 72 Val HA H 3.723 . 1 827 72 Val HB H 2.352 . 1 828 72 Val HG1 H 0.784 . 1 829 72 Val HG2 H 0.913 . 1 830 72 Val C C 176.502 . 1 831 72 Val CA C 64.020 . 1 832 72 Val CB C 32.003 . 1 833 72 Val CG1 C 22.767 . 1 834 72 Val CG2 C 23.933 . 1 835 72 Val N N 120.334 . 1 836 73 Phe H H 9.522 . 1 837 73 Phe HA H 5.109 . 1 838 73 Phe HB2 H 3.249 . 1 839 73 Phe HB3 H 2.948 . 1 840 73 Phe HD1 H 7.064 . 1 841 73 Phe HD2 H 7.064 . 1 842 73 Phe HE1 H 7.266 . 1 843 73 Phe HE2 H 7.266 . 1 844 73 Phe HZ H 7.268 . 1 845 73 Phe C C 176.502 . 1 846 73 Phe CA C 56.354 . 1 847 73 Phe CB C 39.615 . 1 848 73 Phe CD1 C 130.480 . 1 849 73 Phe CE1 C 131.332 . 1 850 73 Phe CZ C 129.876 . 1 851 73 Phe N N 127.542 . 1 852 74 Thr H H 7.972 . 1 853 74 Thr HA H 4.736 . 1 854 74 Thr HB H 4.019 . 1 855 74 Thr HG2 H 1.128 . 1 856 74 Thr C C 172.400 . 1 857 74 Thr CA C 60.604 . 1 858 74 Thr CB C 72.576 . 1 859 74 Thr CG2 C 21.877 . 1 860 74 Thr N N 111.809 . 1 861 75 Val H H 8.584 . 1 862 75 Val HA H 4.878 . 1 863 75 Val HB H 1.925 . 1 864 75 Val HG1 H 0.920 . 1 865 75 Val HG2 H 0.900 . 1 866 75 Val C C 174.510 . 1 867 75 Val CA C 61.844 . 1 868 75 Val CB C 34.500 . 1 869 75 Val CG1 C 22.169 . 1 870 75 Val CG2 C 22.497 . 1 871 75 Val N N 122.820 . 1 872 76 Glu H H 9.029 . 1 873 76 Glu HA H 4.861 . 1 874 76 Glu HB2 H 1.914 . 1 875 76 Glu HB3 H 2.049 . 1 876 76 Glu HG2 H 2.211 . 1 877 76 Glu HG3 H 2.211 . 1 878 76 Glu C C 174.510 . 1 879 76 Glu CA C 53.757 . 1 880 76 Glu CB C 34.230 . 1 881 76 Glu CG C 35.709 . 1 882 76 Glu N N 124.572 . 1 883 77 Arg H H 8.962 . 1 884 77 Arg HA H 4.736 . 1 885 77 Arg HB2 H 1.723 . 2 886 77 Arg HB3 H 1.934 . 2 887 77 Arg HG2 H 1.870 . 2 888 77 Arg HG3 H 1.717 . 2 889 77 Arg HD2 H 3.224 . 1 890 77 Arg HD3 H 3.224 . 1 891 77 Arg HE H 7.707 . 1 892 77 Arg C C 176.502 . 1 893 77 Arg CA C 55.521 . 1 894 77 Arg CB C 30.893 . 1 895 77 Arg CG C 27.260 . 1 896 77 Arg CD C 43.565 . 1 897 77 Arg N N 122.875 . 1 898 77 Arg NE N 84.443 . 1 899 78 Leu H H 8.252 . 1 900 78 Leu HA H 4.505 . 1 901 78 Leu HB2 H 1.493 . 1 902 78 Leu HB3 H 1.365 . 1 903 78 Leu HG H 1.425 . 1 904 78 Leu HD1 H 0.804 . 1 905 78 Leu HD2 H 0.832 . 1 906 78 Leu C C 176.737 . 1 907 78 Leu CA C 53.875 . 1 908 78 Leu CB C 43.228 . 1 909 78 Leu CG C 26.712 . 1 910 78 Leu CD1 C 24.901 . 1 911 78 Leu CD2 C 23.402 . 1 912 78 Leu N N 127.062 . 1 913 79 Ser H H 8.635 . 1 914 79 Ser HA H 4.492 . 1 915 79 Ser HB2 H 3.878 . 1 916 79 Ser HB3 H 3.878 . 1 917 79 Ser C C 174.041 . 1 918 79 Ser CA C 58.465 . 1 919 79 Ser CB C 63.993 . 1 920 79 Ser N N 118.446 . 1 921 80 Asn H H 8.421 . 1 922 80 Asn HA H 4.668 . 1 923 80 Asn HB2 H 2.830 . 2 924 80 Asn HB3 H 2.761 . 2 925 80 Asn HD21 H 7.595 . 2 926 80 Asn HD22 H 6.874 . 2 927 80 Asn C C 175.096 . 1 928 80 Asn CA C 53.300 . 1 929 80 Asn CB C 38.300 . 1 930 80 Asn N N 119.339 . 1 931 80 Asn ND2 N 112.676 . 1 932 81 Leu H H 8.256 . 1 933 81 Leu HA H 4.258 . 1 934 81 Leu HB2 H 1.610 . 1 935 81 Leu HB3 H 1.550 . 1 936 81 Leu HG H 1.581 . 1 937 81 Leu HD1 H 0.843 . 1 938 81 Leu HD2 H 0.755 . 1 939 81 Leu C C 177.323 . 1 940 81 Leu CA C 55.263 . 1 941 81 Leu CB C 41.756 . 1 942 81 Leu CG C 26.918 . 1 943 81 Leu CD1 C 25.205 . 1 944 81 Leu CD2 C 23.240 . 1 945 81 Leu N N 121.238 . 1 946 82 Glu H H 8.282 . 1 947 82 Glu HA H 4.169 . 1 948 82 Glu HB2 H 1.909 . 1 949 82 Glu HB3 H 1.909 . 1 950 82 Glu HG2 H 2.214 . 1 951 82 Glu HG3 H 2.152 . 1 952 82 Glu C C 176.385 . 1 953 82 Glu CA C 56.762 . 1 954 82 Glu CB C 29.997 . 1 955 82 Glu CG C 36.051 . 1 956 82 Glu N N 120.037 . 1 957 83 His H H 8.195 . 1 958 83 His HA H 4.535 . 1 959 83 His HB2 H 3.034 . 2 960 83 His HB3 H 2.961 . 2 961 83 His HD2 H 6.923 . 1 962 83 His HE1 H 7.900 . 1 963 83 His C C 175.081 . 1 964 83 His CA C 55.951 . 1 965 83 His CB C 30.366 . 1 966 83 His CD2 C 119.424 . 1 967 83 His CE1 C 137.765 . 1 968 83 His N N 119.507 . 1 stop_ save_