save_monomeric_polymer _Saveframe_category monomeric_polymer _Mol_type . _Mol_polymer_class . _Name_common . _Residue_count 109 _Mol_residue_sequence ; VNFKDKSMPT AIEKALDFIG GMNTSASVPH SMDESTAKGI LKYLHDLGVP VSPEVVVARG EQEGWNPEFT KKVAGWAEKV ASGNRILIKN PEYFSTYMQE QLKELVLEH ; loop_ _Residue_seq_code _Residue_label 1 Val 2 Asn 3 Phe 4 Lys 5 Asp 6 Lys 7 Ser 8 Met 9 Pro 10 Thr 11 Ala 12 Ile 13 Glu 14 Lys 15 Ala 16 Leu 17 Asp 18 Phe 19 Ile 20 Gly 21 Gly 22 Met 23 Asn 24 Thr 25 Ser 26 Ala 27 Ser 28 Val 29 Pro 30 His 31 Ser 32 Met 33 Asp 34 Glu 35 Ser 36 Thr 37 Ala 38 Lys 39 Gly 40 Ile 41 Leu 42 Lys 43 Tyr 44 Leu 45 His 46 Asp 47 Leu 48 Gly 49 Val 50 Pro 51 Val 52 Ser 53 Pro 54 Glu 55 Val 56 Val 57 Val 58 Ala 59 Arg 60 Gly 61 Glu 62 Gln 63 Glu 64 Gly 65 Trp 66 Asn 67 Pro 68 Glu 69 Phe 70 Thr 71 Lys 72 Lys 73 Val 74 Ala 75 Gly 76 Trp 77 Ala 78 Glu 79 Lys 80 Val 81 Ala 82 Ser 83 Gly 84 Asn 85 Arg 86 Ile 87 Leu 88 Ile 89 Lys 90 Asn 91 Pro 92 Glu 93 Tyr 94 Phe 95 Ser 96 Thr 97 Tyr 98 Met 99 Gln 100 Glu 101 Gln 102 Leu 103 Lys 104 Glu 105 Leu 106 Val 107 Leu 108 Glu 109 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 Val HA H 4.06 . 1 2 1 Val HB H 1.92 . 1 3 1 Val HG1 H 0.88 . 2 4 1 Val HG2 H 0.75 . 2 5 1 Val C C 175.1 . 1 6 1 Val CA C 62.4 . 1 7 1 Val CB C 32.8 . 1 8 1 Val CG1 C 20.8 . 2 9 1 Val CG2 C 21.1 . 2 10 2 Asn H H 8.56 . 1 11 2 Asn HA H 4.68 . 1 12 2 Asn HB2 H 2.76 . 2 13 2 Asn HB3 H 2.67 . 2 14 2 Asn HD21 H 7.60 . 1 15 2 Asn HD22 H 6.90 . 1 16 2 Asn C C 174.9 . 1 17 2 Asn CA C 52.9 . 1 18 2 Asn CB C 39.3 . 1 19 2 Asn N N 123.4 . 1 20 2 Asn ND2 N 112.8 . 1 21 3 Phe H H 8.33 . 1 22 3 Phe HA H 4.54 . 1 23 3 Phe HB2 H 2.98 . 2 24 3 Phe HB3 H 3.12 . 2 25 3 Phe HD1 H 7.23 . 1 26 3 Phe HD2 H 7.23 . 1 27 3 Phe HE1 H 7.31 . 1 28 3 Phe HE2 H 7.31 . 1 29 3 Phe HZ H 7.27 . 1 30 3 Phe C C 175.7 . 1 31 3 Phe CA C 58.3 . 1 32 3 Phe CB C 39.6 . 1 33 3 Phe CD1 C 131.8 . 1 34 3 Phe CD2 C 131.8 . 1 35 3 Phe CE1 C 131.6 . 1 36 3 Phe CE2 C 131.6 . 1 37 3 Phe CZ C 130.0 . 1 38 3 Phe N N 121.7 . 1 39 4 Lys H H 8.24 . 1 40 4 Lys HA H 4.22 . 1 41 4 Lys HB2 H 1.77 . 2 42 4 Lys HB3 H 1.71 . 2 43 4 Lys HG2 H 1.32 . 1 44 4 Lys HG3 H 1.32 . 1 45 4 Lys HD2 H 1.65 . 1 46 4 Lys HD3 H 1.65 . 1 47 4 Lys HE2 H 2.98 . 1 48 4 Lys HE3 H 2.98 . 1 49 4 Lys C C 176.0 . 1 50 4 Lys CA C 56.6 . 1 51 4 Lys CB C 33.0 . 1 52 4 Lys CG C 24.8 . 1 53 4 Lys CD C 29.1 . 1 54 4 Lys CE C 42.2 . 1 55 4 Lys N N 122.3 . 1 56 5 Asp H H 8.18 . 1 57 5 Asp HA H 4.53 . 1 58 5 Asp HB2 H 2.73 . 2 59 5 Asp HB3 H 2.62 . 2 60 5 Asp C C 176.2 . 1 61 5 Asp CA C 54.5 . 1 62 5 Asp CB C 41.4 . 1 63 5 Asp N N 121.1 . 1 64 6 Lys H H 8.27 . 1 65 6 Lys HA H 4.31 . 1 66 6 Lys HB2 H 1.75 . 2 67 6 Lys HB3 H 1.90 . 2 68 6 Lys HG2 H 1.44 . 1 69 6 Lys HG3 H 1.44 . 1 70 6 Lys HD2 H 1.66 . 1 71 6 Lys HD3 H 1.66 . 1 72 6 Lys HE2 H 2.99 . 1 73 6 Lys HE3 H 2.99 . 1 74 6 Lys C C 176.5 . 1 75 6 Lys CA C 56.4 . 1 76 6 Lys CB C 32.7 . 1 77 6 Lys CG C 24.7 . 1 78 6 Lys CD C 29.1 . 1 79 6 Lys CE C 42.2 . 1 80 6 Lys N N 121.8 . 1 81 7 Ser H H 8.36 . 1 82 7 Ser HA H 4.39 . 1 83 7 Ser HB2 H 3.85 . 1 84 7 Ser HB3 H 3.85 . 1 85 7 Ser C C 174.1 . 1 86 7 Ser CA C 58.7 . 1 87 7 Ser CB C 63.9 . 1 88 7 Ser N N 116.7 . 1 89 8 Met H H 8.31 . 1 90 8 Met HA H 4.75 . 1 91 8 Met HB2 H 1.99 . 1 92 8 Met HB3 H 1.99 . 1 93 8 Met HG2 H 2.51 . 1 94 8 Met HG3 H 2.51 . 1 95 8 Met C C 173.7 . 1 96 8 Met CA C 53.5 . 1 97 8 Met CB C 33.2 . 1 98 8 Met CG C 31.7 . 1 99 8 Met N N 123.3 . 1 100 9 Pro HA H 4.54 . 1 101 9 Pro HB2 H 2.28 . 2 102 9 Pro HB3 H 1.75 . 2 103 9 Pro HG2 H 1.96 . 1 104 9 Pro HG3 H 1.96 . 1 105 9 Pro HD2 H 3.60 . 2 106 9 Pro HD3 H 3.91 . 2 107 9 Pro CA C 63.1 . 1 108 9 Pro CB C 32.2 . 1 109 9 Pro CG C 27.7 . 1 110 9 Pro CD C 50.9 . 1 111 10 Thr H H 8.52 . 1 112 10 Thr HA H 4.19 . 1 113 10 Thr HB H 4.39 . 1 114 10 Thr HG2 H 1.31 . 1 115 10 Thr C C 176.6 . 1 116 10 Thr CA C 63.5 . 1 117 10 Thr CB C 69.7 . 1 118 10 Thr CG2 C 22.8 . 1 119 11 Ala H H 9.18 . 1 120 11 Ala HA H 3.96 . 1 121 11 Ala HB H 1.31 . 1 122 11 Ala C C 178.5 . 1 123 11 Ala CA C 55.6 . 1 124 11 Ala CB C 19.2 . 1 125 11 Ala N N 122.3 . 1 126 12 Ile H H 7.18 . 1 127 12 Ile HA H 3.52 . 1 128 12 Ile HB H 1.81 . 1 129 12 Ile HG12 H 1.57 . 2 130 12 Ile HG13 H 1.03 . 2 131 12 Ile HG2 H 0.94 . 1 132 12 Ile HD1 H 0.86 . 1 133 12 Ile C C 177.1 . 1 134 12 Ile CA C 64.8 . 1 135 12 Ile CB C 37.7 . 1 136 12 Ile CG1 C 29.7 . 1 137 12 Ile CG2 C 17.9 . 1 138 12 Ile CD1 C 13.3 . 1 139 12 Ile N N 114.8 . 1 140 13 Glu H H 7.41 . 1 141 13 Glu HA H 3.82 . 1 142 13 Glu HB2 H 2.05 . 1 143 13 Glu HB3 H 2.05 . 1 144 13 Glu HG2 H 2.23 . 2 145 13 Glu HG3 H 2.17 . 2 146 13 Glu C C 178.4 . 1 147 13 Glu CA C 59.7 . 1 148 13 Glu CB C 29.4 . 1 149 13 Glu CG C 36.4 . 1 150 13 Glu N N 119.3 . 1 151 14 Lys H H 8.02 . 1 152 14 Lys HA H 3.93 . 1 153 14 Lys HB2 H 1.71 . 2 154 14 Lys HB3 H 1.58 . 2 155 14 Lys HG2 H 1.06 . 2 156 14 Lys HG3 H 0.83 . 2 157 14 Lys HD2 H 1.50 . 1 158 14 Lys HD3 H 1.50 . 1 159 14 Lys HE2 H 2.73 . 2 160 14 Lys HE3 H 2.63 . 2 161 14 Lys C C 177.7 . 1 162 14 Lys CA C 57.0 . 1 163 14 Lys CB C 30.9 . 1 164 14 Lys CG C 23.5 . 1 165 14 Lys CD C 27.4 . 1 166 14 Lys CE C 41.7 . 1 167 14 Lys N N 117.9 . 1 168 15 Ala H H 8.05 . 1 169 15 Ala HA H 4.01 . 1 170 15 Ala HB H 1.53 . 1 171 15 Ala C C 179.6 . 1 172 15 Ala CA C 55.9 . 1 173 15 Ala CB C 19.1 . 1 174 15 Ala N N 121.1 . 1 175 16 Leu H H 8.26 . 1 176 16 Leu HA H 4.22 . 1 177 16 Leu HB2 H 2.17 . 2 178 16 Leu HB3 H 1.42 . 2 179 16 Leu HG H 1.99 . 1 180 16 Leu HD1 H 0.80 . 1 181 16 Leu HD2 H 0.91 . 1 182 16 Leu C C 179.7 . 1 183 16 Leu CA C 57.9 . 1 184 16 Leu CB C 41.1 . 1 185 16 Leu CG C 26.8 . 1 186 16 Leu CD1 C 26.5 . 1 187 16 Leu CD2 C 22.6 . 1 188 16 Leu N N 116.0 . 1 189 17 Asp H H 8.48 . 1 190 17 Asp HA H 4.52 . 1 191 17 Asp HB2 H 2.66 . 1 192 17 Asp HB3 H 2.66 . 1 193 17 Asp C C 180.5 . 1 194 17 Asp CA C 57.3 . 1 195 17 Asp CB C 39.7 . 1 196 17 Asp N N 123.0 . 1 197 18 Phe H H 8.47 . 1 198 18 Phe HA H 4.74 . 1 199 18 Phe HB2 H 3.10 . 2 200 18 Phe HB3 H 3.65 . 2 201 18 Phe HD1 H 7.29 . 1 202 18 Phe HD2 H 7.29 . 1 203 18 Phe HE1 H 7.37 . 1 204 18 Phe HE2 H 7.37 . 1 205 18 Phe HZ H 7.21 . 1 206 18 Phe C C 180.6 . 1 207 18 Phe CA C 58.6 . 1 208 18 Phe CB C 38.3 . 1 209 18 Phe CD1 C 130.5 . 1 210 18 Phe CD2 C 130.5 . 1 211 18 Phe CE1 C 131.1 . 1 212 18 Phe CE2 C 131.1 . 1 213 18 Phe CZ C 129.5 . 1 214 18 Phe N N 120.3 . 1 215 19 Ile H H 8.41 . 1 216 19 Ile HA H 4.00 . 1 217 19 Ile HB H 2.08 . 1 218 19 Ile HG12 H 1.01 . 2 219 19 Ile HG13 H 2.16 . 2 220 19 Ile HG2 H 0.83 . 1 221 19 Ile HD1 H 0.91 . 1 222 19 Ile C C 177.2 . 1 223 19 Ile CA C 65.0 . 1 224 19 Ile CB C 38.2 . 1 225 19 Ile CG1 C 29.8 . 1 226 19 Ile CG2 C 18.2 . 1 227 19 Ile CD1 C 12.5 . 1 228 19 Ile N N 122.6 . 1 229 20 Gly H H 8.87 . 1 230 20 Gly HA2 H 4.19 . 2 231 20 Gly HA3 H 3.73 . 2 232 20 Gly C C 174.8 . 1 233 20 Gly CA C 47.0 . 1 234 20 Gly N N 105.8 . 1 235 21 Gly H H 7.56 . 1 236 21 Gly HA2 H 4.39 . 2 237 21 Gly HA3 H 3.78 . 2 238 21 Gly C C 175.0 . 1 239 21 Gly CA C 45.1 . 1 240 21 Gly N N 106.4 . 1 241 22 Met H H 7.54 . 1 242 22 Met HA H 4.44 . 1 243 22 Met HB2 H 2.14 . 2 244 22 Met HB3 H 1.98 . 2 245 22 Met HG2 H 2.99 . 2 246 22 Met HG3 H 2.46 . 2 247 22 Met C C 174.3 . 1 248 22 Met CA C 56.1 . 1 249 22 Met CB C 31.4 . 1 250 22 Met CG C 34.4 . 1 251 22 Met N N 120.9 . 1 252 23 Asn H H 8.25 . 1 253 23 Asn HA H 4.73 . 1 254 23 Asn HB2 H 2.56 . 2 255 23 Asn HB3 H 2.81 . 2 256 23 Asn HD21 H 7.64 . 1 257 23 Asn HD22 H 6.88 . 1 258 23 Asn C C 175.9 . 1 259 23 Asn CA C 52.7 . 1 260 23 Asn CB C 36.2 . 1 261 23 Asn N N 117.2 . 1 262 23 Asn ND2 N 112.3 . 1 263 24 Thr H H 7.33 . 1 264 24 Thr HA H 3.45 . 1 265 24 Thr HB H 3.42 . 1 266 24 Thr HG2 H 0.03 . 1 267 24 Thr C C 173.9 . 1 268 24 Thr CA C 61.9 . 1 269 24 Thr CB C 69.1 . 1 270 24 Thr CG2 C 20.8 . 1 271 24 Thr N N 114.2 . 1 272 25 Ser H H 7.776 . 1 273 25 Ser HA H 4.52 . 1 274 25 Ser HB2 H 3.90 . 2 275 25 Ser HB3 H 4.03 . 2 276 25 Ser C C 174.6 . 1 277 25 Ser CA C 58.80 . 1 278 25 Ser CB C 64.033 . 1 279 25 Ser N N 114.779 . 1 280 26 Ala H H 7.17 . 1 281 26 Ala HA H 4.28 . 1 282 26 Ala HB H 1.36 . 1 283 26 Ala C C 176.0 . 1 284 26 Ala CA C 52.4 . 1 285 26 Ala CB C 20.2 . 1 286 27 Ser H H 8.22 . 1 287 27 Ser HA H 4.23 . 1 288 27 Ser HB2 H 3.89 . 1 289 27 Ser HB3 H 3.89 . 1 290 27 Ser C C 174.1 . 1 291 27 Ser CA C 59.9 . 1 292 27 Ser CB C 63.5 . 1 293 27 Ser N N 114.8 . 1 294 28 Val H H 7.52 . 1 295 28 Val HA H 4.32 . 1 296 28 Val HB H 2.00 . 1 297 28 Val HG1 H 0.92 . 2 298 28 Val HG2 H 0.90 . 2 299 28 Val C C 173.6 . 1 300 28 Val CA C 59.3 . 1 301 28 Val CB C 33.2 . 1 302 28 Val CG1 C 21.0 . 2 303 28 Val CG2 C 20.9 . 2 304 28 Val N N 119.8 . 1 305 29 Pro HA H 4.63 . 1 306 29 Pro HB2 H 2.37 . 2 307 29 Pro HB3 H 2.07 . 2 308 29 Pro HG2 H 1.93 . 1 309 29 Pro HG3 H 1.93 . 1 310 29 Pro HD2 H 3.77 . 2 311 29 Pro HD3 H 3.73 . 2 312 29 Pro CA C 63.0 . 1 313 29 Pro CB C 31.9 . 1 314 29 Pro CG C 27.4 . 1 315 29 Pro CD C 50.7 . 1 316 30 His H H 9.38 . 1 317 30 His HA H 4.55 . 1 318 30 His HB2 H 3.28 . 1 319 30 His HB3 H 3.28 . 1 320 30 His HD2 H 7.29 . 1 321 30 His CA C 56.3 . 1 322 30 His CB C 30.6 . 1 323 30 His CD2 C 119.3 . 1 324 31 Ser H H 8.80 . 1 325 31 Ser HA H 4.24 . 1 326 31 Ser HB2 H 3.96 . 1 327 31 Ser HB3 H 3.96 . 1 328 31 Ser CA C 61.8 . 1 329 31 Ser CB C 63.3 . 1 330 32 Met HE H 1.96 . 1 331 32 Met C C 177.7 . 1 332 32 Met CE C 18.8 . 1 333 33 Asp H H 7.36 . 1 334 33 Asp HA H 4.60 . 1 335 33 Asp HB2 H 2.96 . 2 336 33 Asp HB3 H 3.12 . 2 337 33 Asp C C 177.1 . 1 338 33 Asp CA C 56.8 . 1 339 33 Asp CB C 40.7 . 1 340 33 Asp N N 122.8 . 1 341 34 Glu H H 8.71 . 1 342 34 Glu HA H 3.72 . 1 343 34 Glu HB2 H 1.97 . 2 344 34 Glu HB3 H 2.06 . 2 345 34 Glu HG2 H 1.33 . 2 346 34 Glu HG3 H 1.64 . 2 347 34 Glu C C 178.0 . 1 348 34 Glu CA C 59.4 . 1 349 34 Glu CB C 28.9 . 1 350 34 Glu CG C 35.2 . 1 351 34 Glu N N 120.8 . 1 352 35 Ser H H 8.11 . 1 353 35 Ser HA H 4.00 . 1 354 35 Ser HB2 H 4.08 . 1 355 35 Ser HB3 H 4.08 . 1 356 35 Ser C C 176.5 . 1 357 35 Ser CA C 63.3 . 1 358 35 Ser CB C 63.3 . 1 359 35 Ser N N 113.3 . 1 360 36 Thr H H 8.09 . 1 361 36 Thr HA H 3.66 . 1 362 36 Thr HB H 4.24 . 1 363 36 Thr HG2 H 1.16 . 1 364 36 Thr C C 175.3 . 1 365 36 Thr CA C 67.9 . 1 366 36 Thr CB C 68.1 . 1 367 36 Thr CG2 C 22.11 . 1 368 36 Thr N N 119.4 . 1 369 37 Ala H H 9.10 . 1 370 37 Ala HA H 3.85 . 1 371 37 Ala HB H 1.57 . 1 372 37 Ala C C 179.1 . 1 373 37 Ala CA C 55.8 . 1 374 37 Ala CB C 18.0 . 1 375 37 Ala N N 123.0 . 1 376 38 Lys H H 8.09 . 1 377 38 Lys HA H 3.55 . 1 378 38 Lys HB2 H 1.57 . 2 379 38 Lys HB3 H 1.32 . 2 380 38 Lys HG2 H 0.89 . 2 381 38 Lys HG3 H 0.32 . 2 382 38 Lys HD2 H 1.08 . 1 383 38 Lys HD3 H 1.08 . 1 384 38 Lys HE2 H 1.82 . 2 385 38 Lys HE3 H 1.01 . 2 386 38 Lys C C 177.8 . 1 387 38 Lys CA C 61.2 . 1 388 38 Lys CB C 34.1 . 1 389 38 Lys CG C 27.3 . 1 390 38 Lys CD C 30.2 . 1 391 38 Lys CE C 39.9 . 1 392 38 Lys N N 114.9 . 1 393 39 Gly H H 7.89 . 1 394 39 Gly HA2 H 3.40 . 2 395 39 Gly HA3 H 3.49 . 2 396 39 Gly C C 175.5 . 1 397 39 Gly CA C 47.1 . 1 398 39 Gly N N 106.0 . 1 399 40 Ile H H 7.99 . 1 400 40 Ile HA H 3.07 . 1 401 40 Ile HB H 1.91 . 1 402 40 Ile HG12 H 1.63 . 2 403 40 Ile HG13 H 0.73 . 2 404 40 Ile HG2 H 0.97 . 1 405 40 Ile HD1 H 0.93 . 1 406 40 Ile C C 176.8 . 1 407 40 Ile CA C 65.6 . 1 408 40 Ile CB C 38.8 . 1 409 40 Ile CG1 C 30.3 . 1 410 40 Ile CG2 C 18.0 . 1 411 40 Ile CD1 C 15.9 . 1 412 40 Ile N N 122.9 . 1 413 41 Leu H H 7.98 . 1 414 41 Leu HA H 4.00 . 1 415 41 Leu HB2 H 1.98 . 2 416 41 Leu HB3 H 1.33 . 2 417 41 Leu HG H 2.09 . 1 418 41 Leu HD1 H 0.89 . 1 419 41 Leu HD2 H 0.84 . 1 420 41 Leu C C 180.4 . 1 421 41 Leu CA C 57.9 . 1 422 41 Leu CB C 42.3 . 1 423 41 Leu CG C 26.5 . 1 424 41 Leu CD1 C 26.1 . 1 425 41 Leu CD2 C 22.0 . 1 426 41 Leu N N 117.0 . 1 427 42 Lys H H 8.75 . 1 428 42 Lys HA H 3.92 . 1 429 42 Lys HB2 H 1.70 . 2 430 42 Lys HB3 H 2.01 . 2 431 42 Lys HG2 H 1.53 . 1 432 42 Lys HG3 H 1.53 . 1 433 42 Lys HD2 H 1.76 . 2 434 42 Lys HD3 H 1.60 . 2 435 42 Lys HE2 H 3.10 . 1 436 42 Lys HE3 H 3.10 . 1 437 42 Lys C C 176.8 . 1 438 42 Lys CA C 59.6 . 1 439 42 Lys CB C 32.9 . 1 440 42 Lys CG C 25.1 . 1 441 42 Lys CD C 29.3 . 1 442 42 Lys CE C 42.4 . 1 443 42 Lys N N 121.5 . 1 444 43 Tyr H H 8.35 . 1 445 43 Tyr HA H 4.35 . 1 446 43 Tyr HB2 H 3.45 . 2 447 43 Tyr HB3 H 3.02 . 2 448 43 Tyr HD1 H 7.19 . 1 449 43 Tyr HD2 H 7.19 . 1 450 43 Tyr HE1 H 6.88 . 1 451 43 Tyr HE2 H 6.88 . 1 452 43 Tyr C C 178.0 . 1 453 43 Tyr CA C 61.8 . 1 454 43 Tyr CB C 40.2 . 1 455 43 Tyr CD1 C 132.5 . 1 456 43 Tyr CD2 C 132.5 . 1 457 43 Tyr CE1 C 119.3 . 1 458 43 Tyr CE2 C 119.3 . 1 459 43 Tyr N N 120.7 . 1 460 44 Leu H H 8.08 . 1 461 44 Leu HA H 3.82 . 1 462 44 Leu HB2 H 2.26 . 2 463 44 Leu HB3 H 1.69 . 2 464 44 Leu HG H 1.92 . 1 465 44 Leu HD1 H 0.89 . 1 466 44 Leu HD2 H 0.84 . 1 467 44 Leu C C 179.3 . 1 468 44 Leu CA C 58.1 . 1 469 44 Leu CB C 39.5 . 1 470 44 Leu CG C 28.1 . 1 471 44 Leu CD1 C 26.8 . 1 472 44 Leu CD2 C 23.6 . 1 473 44 Leu N N 116.1 . 1 474 45 His H H 7.80 . 1 475 45 His HA H 3.76 . 1 476 45 His HB2 H 3.39 . 1 477 45 His HB3 H 3.39 . 1 478 45 His HD2 H 7.16 . 1 479 45 His C C 178.8 . 1 480 45 His CA C 60.9 . 1 481 45 His CB C 28.7 . 1 482 45 His CD2 C 121.0 . 1 483 45 His N N 117.7 . 1 484 46 Asp H H 9.00 . 1 485 46 Asp HA H 4.28 . 1 486 46 Asp HB2 H 2.95 . 2 487 46 Asp HB3 H 2.66 . 2 488 46 Asp C C 177.8 . 1 489 46 Asp CA C 57.1 . 1 490 46 Asp CB C 39.4 . 1 491 46 Asp N N 123.3 . 1 492 47 Leu H H 7.61 . 1 493 47 Leu HA H 4.21 . 1 494 47 Leu HB2 H 1.64 . 1 495 47 Leu HB3 H 1.64 . 1 496 47 Leu HG H 1.35 . 1 497 47 Leu HD1 H 0.47 . 1 498 47 Leu HD2 H 0.67 . 1 499 47 Leu C C 176.9 . 1 500 47 Leu CA C 55.2 . 1 501 47 Leu CB C 42.7 . 1 502 47 Leu CG C 26.8 . 1 503 47 Leu CD1 C 25.6 . 1 504 47 Leu CD2 C 22.5 . 1 505 47 Leu N N 119.3 . 1 506 48 Gly H H 7.73 . 1 507 48 Gly HA2 H 4.18 . 2 508 48 Gly HA3 H 3.68 . 2 509 48 Gly C C 174.0 . 1 510 48 Gly CA C 45.3 . 1 511 48 Gly N N 106.4 . 1 512 49 Val H H 8.09 . 1 513 49 Val HA H 4.37 . 1 514 49 Val HB H 1.96 . 1 515 49 Val HG1 H 0.80 . 1 516 49 Val HG2 H 0.75 . 1 517 49 Val C C 179.4 . 1 518 49 Val CA C 58.7 . 1 519 49 Val CB C 32.3 . 1 520 49 Val CG1 C 22.1 . 1 521 49 Val CG2 C 21.4 . 1 522 49 Val N N 119.9 . 1 523 50 Pro HA H 4.35 . 1 524 50 Pro HB2 H 2.08 . 2 525 50 Pro HB3 H 1.94 . 2 526 50 Pro HG2 H 2.06 . 2 527 50 Pro HG3 H 1.95 . 2 528 50 Pro HD2 H 3.26 . 2 529 50 Pro HD3 H 3.58 . 2 530 50 Pro C C 177.4 . 1 531 50 Pro CA C 62.4 . 1 532 50 Pro CB C 32.7 . 1 533 50 Pro CG C 27.6 . 1 534 50 Pro CD C 49.9 . 1 535 51 Val H H 8.83 . 1 536 51 Val HA H 3.83 . 1 537 51 Val HB H 2.16 . 1 538 51 Val HG1 H 0.97 . 1 539 51 Val HG2 H 0.96 . 1 540 51 Val C C 175.1 . 1 541 51 Val CA C 61.2 . 1 542 51 Val CB C 32.9 . 1 543 51 Val CG1 C 20.6 . 1 544 51 Val CG2 C 19.8 . 1 545 51 Val N N 122.3 . 1 546 52 Ser H H 8.53 . 1 547 52 Ser HA H 4.74 . 1 548 52 Ser HB2 H 4.29 . 2 549 52 Ser HB3 H 4.02 . 2 550 52 Ser C C 173.6 . 1 551 52 Ser CA C 56.2 . 1 552 52 Ser CB C 63.3 . 1 553 52 Ser N N 124.6 . 1 554 53 Pro HA H 4.02 . 1 555 53 Pro HB2 H 2.50 . 2 556 53 Pro HB3 H 2.03 . 2 557 53 Pro HG2 H 2.30 . 2 558 53 Pro HG3 H 1.96 . 2 559 53 Pro HD2 H 4.06 . 2 560 53 Pro HD3 H 3.55 . 2 561 53 Pro C C 177.8 . 1 562 53 Pro CA C 65.8 . 1 563 53 Pro CB C 31.6 . 1 564 53 Pro CG C 28.1 . 1 565 53 Pro CD C 50.5 . 1 566 54 Glu H H 8.78 . 1 567 54 Glu HA H 3.90 . 1 568 54 Glu HB2 H 1.93 . 2 569 54 Glu HB3 H 2.03 . 2 570 54 Glu HG2 H 2.39 . 2 571 54 Glu HG3 H 2.24 . 2 572 54 Glu C C 179.8 . 1 573 54 Glu CA C 60.6 . 1 574 54 Glu CB C 28.8 . 1 575 54 Glu CG C 37.0 . 1 576 54 Glu N N 114.9 . 1 577 55 Val H H 7.577 . 1 578 55 Val HA H 3.92 . 1 579 55 Val HB H 2.30 . 1 580 55 Val HG1 H 0.98 . 1 581 55 Val HG2 H 1.12 . 1 582 55 Val C C 178.3 . 1 583 55 Val CA C 65.1 . 1 584 55 Val CB C 31.3 . 1 585 55 Val CG1 C 21.9 . 1 586 55 Val CG2 C 21.9 . 1 587 55 Val N N 118.7 . 1 588 56 Val H H 7.168 . 1 589 56 Val HA H 3.45 . 1 590 56 Val HB H 2.37 . 1 591 56 Val HG1 H 1.03 . 1 592 56 Val HG2 H 0.91 . 1 593 56 Val C C 176.9 . 1 594 56 Val CA C 66.9 . 1 595 56 Val CB C 31.6 . 1 596 56 Val CG1 C 22.3 . 1 597 56 Val CG2 C 22.4 . 1 598 56 Val N N 122.0 . 1 599 57 Val H H 8.03 . 1 600 57 Val HA H 3.33 . 1 601 57 Val HB H 1.88 . 1 602 57 Val HG1 H 0.83 . 1 603 57 Val HG2 H 0.89 . 1 604 57 Val C C 177.9 . 1 605 57 Val CA C 66.2 . 1 606 57 Val CB C 31.9 . 1 607 57 Val CG1 C 21.1 . 1 608 57 Val CG2 C 22.6 . 1 609 57 Val N N 118.1 . 1 610 58 Ala H H 7.64 . 1 611 58 Ala HA H 4.06 . 1 612 58 Ala HB H 1.37 . 1 613 58 Ala C C 180.3 . 1 614 58 Ala CA C 54.8 . 1 615 58 Ala CB C 18.1 . 1 616 58 Ala N N 119.4 . 1 617 59 Arg H H 7.59 . 1 618 59 Arg HA H 3.93 . 1 619 59 Arg HB2 H 1.64 . 2 620 59 Arg HB3 H 1.74 . 2 621 59 Arg HG2 H 1.47 . 2 622 59 Arg HG3 H 0.95 . 2 623 59 Arg HD2 H 3.34 . 2 624 59 Arg HD3 H 3.03 . 2 625 59 Arg HE H 7.81 . 1 626 59 Arg C C 177.3 . 1 627 59 Arg CA C 57.0 . 1 628 59 Arg CB C 28.5 . 1 629 59 Arg CG C 28.0 . 1 630 59 Arg CD C 40.9 . 1 631 59 Arg N N 119.0 . 1 632 59 Arg NE N 83.3 . 1 633 60 Gly H H 8.14 . 1 634 60 Gly HA2 H 3.40 . 2 635 60 Gly HA3 H 2.19 . 2 636 60 Gly C C 176.9 . 1 637 60 Gly CA C 47.3 . 1 638 60 Gly N N 107.2 . 1 639 61 Glu H H 8.00 . 1 640 61 Glu HA H 3.99 . 1 641 61 Glu HB2 H 2.07 . 2 642 61 Glu HB3 H 1.97 . 2 643 61 Glu HG2 H 2.40 . 2 644 61 Glu HG3 H 2.19 . 2 645 61 Glu C C 179.3 . 1 646 61 Glu CA C 58.9 . 1 647 61 Glu CB C 29.5 . 1 648 61 Glu CG C 36.6 . 1 649 61 Glu N N 120.0 . 1 650 62 Gln H H 7.68 . 1 651 62 Gln HA H 3.97 . 1 652 62 Gln HB2 H 2.06 . 2 653 62 Gln HB3 H 2.16 . 2 654 62 Gln HG2 H 2.38 . 2 655 62 Gln HG3 H 2.30 . 2 656 62 Gln HE21 H 7.65 . 1 657 62 Gln HE22 H 6.81 . 1 658 62 Gln C C 178.1 . 1 659 62 Gln CA C 58.8 . 1 660 62 Gln CB C 29.3 . 1 661 62 Gln CG C 33.7 . 1 662 62 Gln N N 119.5 . 1 663 62 Gln NE2 N 111.7 . 1 664 63 Glu H H 8.03 . 1 665 63 Glu HA H 4.23 . 1 666 63 Glu HB2 H 2.27 . 2 667 63 Glu HB3 H 1.29 . 2 668 63 Glu HG2 H 2.23 . 1 669 63 Glu HG3 H 2.23 . 1 670 63 Glu C C 177.1 . 1 671 63 Glu CA C 56.2 . 1 672 63 Glu CB C 31.2 . 1 673 63 Glu CG C 37.4 . 1 674 63 Glu N N 114.2 . 1 675 64 Gly H H 7.60 . 1 676 64 Gly HA2 H 3.91 . 2 677 64 Gly HA3 H 4.02 . 2 678 64 Gly C C 175.8 . 1 679 64 Gly CA C 46.6 . 1 680 64 Gly N N 108.7 . 1 681 65 Trp H H 8.28 . 1 682 65 Trp HA H 4.55 . 1 683 65 Trp HB2 H 3.29 . 2 684 65 Trp HB3 H 3.14 . 2 685 65 Trp HD1 H 6.94 . 1 686 65 Trp HE1 H 10.66 . 1 687 65 Trp HE3 H 8.05 . 1 688 65 Trp HZ2 H 7.30 . 1 689 65 Trp HZ3 H 6.86 . 1 690 65 Trp HH2 H 6.95 . 1 691 65 Trp C C 176.7 . 1 692 65 Trp CA C 55.1 . 1 693 65 Trp CB C 30.5 . 1 694 65 Trp CD1 C 124.5 . 1 695 65 Trp CE3 C 122.3 . 1 696 65 Trp CZ2 C 114.0 . 1 697 65 Trp CZ3 C 120.5 . 1 698 65 Trp CH2 C 124.1 . 1 699 65 Trp N N 120.5 . 1 700 65 Trp NE1 N 130.0 . 1 701 66 Asn H H 8.81 . 1 702 66 Asn HA H 4.82 . 1 703 66 Asn HB2 H 2.90 . 2 704 66 Asn HB3 H 2.88 . 2 705 66 Asn HD21 H 7.28 . 2 706 66 Asn HD22 H 7.58 . 2 707 66 Asn C C 175.7 . 1 708 66 Asn CA C 52.7 . 1 709 66 Asn CB C 39.1 . 1 710 66 Asn N N 123.9 . 1 711 66 Asn ND2 N 115.3 . 1 712 67 Pro HA H 4.52 . 1 713 67 Pro HB2 H 2.46 . 2 714 67 Pro HB3 H 2.04 . 2 715 67 Pro HG2 H 2.15 . 1 716 67 Pro HG3 H 2.15 . 1 717 67 Pro HD2 H 3.86 . 2 718 67 Pro HD3 H 4.05 . 2 719 67 Pro C C 179.5 . 1 720 67 Pro CA C 65.4 . 1 721 67 Pro CB C 32.3 . 1 722 67 Pro CG C 27.9 . 1 723 67 Pro CD C 51.3 . 1 724 68 Glu H H 8.52 . 1 725 68 Glu HA H 4.15 . 1 726 68 Glu HB2 H 2.23 . 2 727 68 Glu HB3 H 2.06 . 2 728 68 Glu HG2 H 2.31 . 2 729 68 Glu HG3 H 2.45 . 2 730 68 Glu C C 179.1 . 1 731 68 Glu CA C 58.8 . 1 732 68 Glu CB C 29.6 . 1 733 68 Glu CG C 36.7 . 1 734 68 Glu N N 116.9 . 1 735 69 Phe H H 7.74 . 1 736 69 Phe HA H 3.81 . 1 737 69 Phe HB2 H 3.55 . 2 738 69 Phe HB3 H 3.66 . 2 739 69 Phe HD1 H 7.03 . 1 740 69 Phe HD2 H 7.03 . 1 741 69 Phe HE1 H 6.53 . 1 742 69 Phe HE2 H 6.53 . 1 743 69 Phe HZ H 6.69 . 1 744 69 Phe C C 177.1 . 1 745 69 Phe CA C 62.5 . 1 746 69 Phe CB C 38.5 . 1 747 69 Phe CD1 C 131.9 . 1 748 69 Phe CD2 C 131.9 . 1 749 69 Phe CE1 C 131.3 . 1 750 69 Phe CE2 C 131.3 . 1 751 69 Phe CZ C 128.8 . 1 752 69 Phe N N 123.8 . 1 753 70 Thr H H 8.67 . 1 754 70 Thr HA H 3.61 . 1 755 70 Thr HB H 4.25 . 1 756 70 Thr HG2 H 1.29 . 1 757 70 Thr C C 175.8 . 1 758 70 Thr CA C 67.1 . 1 759 70 Thr CB C 68.1 . 1 760 70 Thr CG2 C 25.0 . 1 761 70 Thr N N 116.2 . 1 762 71 Lys H H 8.00 . 1 763 71 Lys HA H 3.75 . 1 764 71 Lys HB2 H 1.82 . 2 765 71 Lys HB3 H 1.78 . 2 766 71 Lys HG2 H 1.52 . 2 767 71 Lys HG3 H 1.32 . 2 768 71 Lys HD2 H 1.66 . 1 769 71 Lys HD3 H 1.66 . 1 770 71 Lys HE2 H 2.90 . 1 771 71 Lys HE3 H 2.90 . 1 772 71 Lys C C 179.7 . 1 773 71 Lys CA C 59.8 . 1 774 71 Lys CB C 32.9 . 1 775 71 Lys CG C 25.2 . 1 776 71 Lys CD C 29.5 . 1 777 71 Lys CE C 42.0 . 1 778 71 Lys N N 118.5 . 1 779 72 Lys H H 7.40 . 1 780 72 Lys HA H 3.55 . 1 781 72 Lys HB2 H 0.77 . 2 782 72 Lys HB3 H 1.49 . 2 783 72 Lys HG2 H 1.17 . 1 784 72 Lys HG3 H 1.17 . 1 785 72 Lys HD2 H 1.56 . 2 786 72 Lys HD3 H 1.66 . 2 787 72 Lys HE2 H 3.05 . 1 788 72 Lys HE3 H 3.05 . 1 789 72 Lys C C 177.9 . 1 790 72 Lys CA C 58.2 . 1 791 72 Lys CB C 31.2 . 1 792 72 Lys CG C 25.1 . 1 793 72 Lys CD C 28.9 . 1 794 72 Lys CE C 42.4 . 1 795 72 Lys N N 120.5 . 1 796 73 Val H H 7.57 . 1 797 73 Val HA H 3.05 . 1 798 73 Val HB H 1.69 . 1 799 73 Val HG1 H 0.96 . 1 800 73 Val HG2 H 0.15 . 1 801 73 Val C C 178.2 . 1 802 73 Val CA C 65.6 . 1 803 73 Val CB C 30.7 . 1 804 73 Val CG1 C 22.9 . 1 805 73 Val CG2 C 21.5 . 1 806 73 Val N N 118.5 . 1 807 74 Ala H H 8.89 . 1 808 74 Ala HA H 3.85 . 1 809 74 Ala HB H 1.37 . 1 810 74 Ala C C 179.7 . 1 811 74 Ala CA C 55.6 . 1 812 74 Ala CB C 18.0 . 1 813 74 Ala N N 122.5 . 1 814 75 Gly H H 7.84 . 1 815 75 Gly HA2 H 3.90 . 2 816 75 Gly HA3 H 3.85 . 2 817 75 Gly C C 177.4 . 1 818 75 Gly CA C 47.0 . 1 819 75 Gly N N 106.7 . 1 820 76 Trp H H 7.87 . 1 821 76 Trp HA H 4.64 . 1 822 76 Trp HB2 H 2.85 . 2 823 76 Trp HB3 H 3.50 . 2 824 76 Trp HD1 H 7.12 . 1 825 76 Trp HE1 H 10.24 . 1 826 76 Trp HE3 H 7.12 . 1 827 76 Trp HZ2 H 7.36 . 1 828 76 Trp HZ3 H 6.64 . 1 829 76 Trp HH2 H 6.86 . 1 830 76 Trp C C 178.2 . 1 831 76 Trp CA C 58.8 . 1 832 76 Trp CB C 27.9 . 1 833 76 Trp CD1 C 125.2 . 1 834 76 Trp CE3 C 119.9 . 1 835 76 Trp CZ2 C 114.4 . 1 836 76 Trp CZ3 C 121.5 . 1 837 76 Trp CH2 C 123.1 . 1 838 76 Trp N N 124.5 . 1 839 76 Trp NE1 N 129.6 . 1 840 77 Ala H H 8.70 . 1 841 77 Ala HA H 4.12 . 1 842 77 Ala HB H 1.54 . 1 843 77 Ala C C 180.4 . 1 844 77 Ala CA C 55.3 . 1 845 77 Ala CB C 16.9 . 1 846 77 Ala N N 121.5 . 1 847 78 Glu H H 8.62 . 1 848 78 Glu HA H 3.99 . 1 849 78 Glu HB2 H 2.38 . 2 850 78 Glu HB3 H 2.17 . 2 851 78 Glu HG2 H 2.37 . 2 852 78 Glu HG3 H 2.24 . 2 853 78 Glu C C 178.7 . 1 854 78 Glu CA C 59.6 . 1 855 78 Glu CB C 29.8 . 1 856 78 Glu CG C 36.0 . 1 857 78 Glu N N 121.6 . 1 858 79 Lys H H 8.09 . 1 859 79 Lys HA H 4.06 . 1 860 79 Lys HB2 H 1.81 . 2 861 79 Lys HB3 H 2.11 . 2 862 79 Lys HG2 H 1.67 . 2 863 79 Lys HG3 H 1.55 . 2 864 79 Lys HD2 H 1.74 . 1 865 79 Lys HD3 H 1.74 . 1 866 79 Lys HE2 H 3.03 . 1 867 79 Lys HE3 H 3.03 . 1 868 79 Lys C C 179.5 . 1 869 79 Lys CA C 59.4 . 1 870 79 Lys CB C 32.6 . 1 871 79 Lys CG C 25.4 . 1 872 79 Lys CD C 29.2 . 1 873 79 Lys CE C 42.4 . 1 874 79 Lys N N 120.4 . 1 875 80 Val H H 8.37 . 1 876 80 Val HA H 3.58 . 1 877 80 Val HB H 2.03 . 1 878 80 Val HG1 H 0.72 . 1 879 80 Val HG2 H 0.99 . 1 880 80 Val C C 179.0 . 1 881 80 Val CA C 65.7 . 1 882 80 Val CB C 32.0 . 1 883 80 Val CG1 C 22.2 . 1 884 80 Val CG2 C 23.2 . 1 885 80 Val N N 118.6 . 1 886 81 Ala H H 8.27 . 1 887 81 Ala HA H 4.08 . 1 888 81 Ala HB H 1.59 . 1 889 81 Ala C C 179.2 . 1 890 81 Ala CA C 54.7 . 1 891 81 Ala CB C 18.0 . 1 892 81 Ala N N 121.5 . 1 893 82 Ser H H 7.82 . 1 894 82 Ser HA H 4.47 . 1 895 82 Ser HB2 H 4.07 . 1 896 82 Ser HB3 H 4.07 . 1 897 82 Ser C C 174.8 . 1 898 82 Ser CA C 59.2 . 1 899 82 Ser CB C 64.1 . 1 900 82 Ser N N 111.7 . 1 901 83 Gly H H 7.74 . 1 902 83 Gly HA2 H 4.22 . 2 903 83 Gly HA3 H 3.76 . 2 904 83 Gly C C 174.4 . 1 905 83 Gly CA C 45.8 . 1 906 83 Gly N N 108.8 . 1 907 84 Asn H H 7.83 . 1 908 84 Asn HA H 4.64 . 1 909 84 Asn HB2 H 2.51 . 2 910 84 Asn HB3 H 2.67 . 2 911 84 Asn HD21 H 7.50 . 1 912 84 Asn HD22 H 7.13 . 1 913 84 Asn C C 174.4 . 1 914 84 Asn CA C 53.3 . 1 915 84 Asn CB C 40.2 . 1 916 84 Asn N N 118.4 . 1 917 84 Asn ND2 N 113.4 . 1 918 85 Arg H H 8.50 . 1 919 85 Arg HA H 4.25 . 1 920 85 Arg HB2 H 1.73 . 1 921 85 Arg HB3 H 1.73 . 1 922 85 Arg HG2 H 1.66 . 2 923 85 Arg HG3 H 1.51 . 2 924 85 Arg HD2 H 3.17 . 1 925 85 Arg HD3 H 3.17 . 1 926 85 Arg HE H 7.18 . 1 927 85 Arg C C 175.9 . 1 928 85 Arg CA C 56.5 . 1 929 85 Arg CB C 30.3 . 1 930 85 Arg CG C 27.2 . 1 931 85 Arg CD C 43.4 . 1 932 85 Arg N N 121.6 . 1 933 85 Arg NE N 84.7 . 1 934 86 Ile H H 8.16 . 1 935 86 Ile HA H 4.42 . 1 936 86 Ile HB H 1.56 . 1 937 86 Ile HG12 H 1.03 . 2 938 86 Ile HG13 H 1.34 . 2 939 86 Ile HG2 H 0.78 . 1 940 86 Ile HD1 H 0.73 . 1 941 86 Ile C C 173.9 . 1 942 86 Ile CA C 59.0 . 1 943 86 Ile CB C 41.0 . 1 944 86 Ile CG1 C 26.9 . 1 945 86 Ile CG2 C 17.4 . 1 946 86 Ile CD1 C 14.1 . 1 947 86 Ile N N 121.9 . 1 948 87 Leu H H 8.39 . 1 949 87 Leu HA H 4.32 . 1 950 87 Leu HB2 H 1.47 . 1 951 87 Leu HB3 H 1.47 . 1 952 87 Leu HG H 1.39 . 1 953 87 Leu HD1 H 0.82 . 1 954 87 Leu HD2 H 0.78 . 1 955 87 Leu C C 175.8 . 1 956 87 Leu CA C 54.7 . 1 957 87 Leu CB C 42.3 . 1 958 87 Leu CG C 27.3 . 1 959 87 Leu CD1 C 24.3 . 1 960 87 Leu CD2 C 24.3 . 1 961 87 Leu N N 127.4 . 1 962 88 Ile H H 8.45 . 1 963 88 Ile HA H 4.09 . 1 964 88 Ile HB H 1.69 . 1 965 88 Ile HG12 H 1.44 . 2 966 88 Ile HG13 H 0.65 . 2 967 88 Ile HG2 H 0.72 . 1 968 88 Ile HD1 H 0.69 . 1 969 88 Ile C C 175.6 . 1 970 88 Ile CA C 60.7 . 1 971 88 Ile CB C 38.9 . 1 972 88 Ile CG1 C 27.7 . 1 973 88 Ile CG2 C 17.7 . 1 974 88 Ile CD1 C 12.9 . 1 975 88 Ile N N 126.0 . 1 976 89 Lys H H 8.99 . 1 977 89 Lys HA H 3.95 . 1 978 89 Lys HB2 H 1.65 . 1 979 89 Lys HB3 H 1.65 . 1 980 89 Lys HG2 H 1.34 . 1 981 89 Lys HG3 H 1.34 . 1 982 89 Lys HD2 H 1.64 . 1 983 89 Lys HD3 H 1.64 . 1 984 89 Lys HE2 H 2.97 . 1 985 89 Lys HE3 H 2.97 . 1 986 89 Lys C C 176.7 . 1 987 89 Lys CA C 58.7 . 1 988 89 Lys CB C 33.0 . 1 989 89 Lys CG C 25.1 . 1 990 89 Lys CD C 29.2 . 1 991 89 Lys CE C 42.1 . 1 992 89 Lys N N 128.8 . 1 993 90 Asn H H 7.86 . 1 994 90 Asn HA H 5.08 . 1 995 90 Asn HB2 H 2.31 . 2 996 90 Asn HB3 H 2.12 . 2 997 90 Asn HD21 H 6.83 . 2 998 90 Asn HD22 H 8.10 . 2 999 90 Asn CA C 52.3 . 1 1000 90 Asn CB C 40.2 . 1 1001 90 Asn N N 114.2 . 1 1002 90 Asn ND2 N 113.2 . 1 1003 91 Pro HA H 4.21 . 1 1004 91 Pro HB2 H 2.19 . 2 1005 91 Pro HB3 H 2.05 . 2 1006 91 Pro HG2 H 2.01 . 2 1007 91 Pro HG3 H 1.96 . 2 1008 91 Pro HD2 H 3.75 . 2 1009 91 Pro HD3 H 3.40 . 2 1010 91 Pro C C 177.7 . 1 1011 91 Pro CA C 64.4 . 1 1012 91 Pro CB C 32.0 . 1 1013 91 Pro CG C 27.3 . 1 1014 91 Pro CD C 50.6 . 1 1015 92 Glu H H 10.02 . 1 1016 92 Glu HA H 4.10 . 1 1017 92 Glu HB2 H 1.95 . 2 1018 92 Glu HB3 H 1.83 . 2 1019 92 Glu HG2 H 2.18 . 2 1020 92 Glu HG3 H 1.69 . 2 1021 92 Glu C C 177.1 . 1 1022 92 Glu CA C 58.2 . 1 1023 92 Glu CB C 27.8 . 1 1024 92 Glu CG C 35.0 . 1 1025 92 Glu N N 119.5 . 1 1026 93 Tyr H H 7.35 . 1 1027 93 Tyr HA H 4.51 . 1 1028 93 Tyr HB2 H 3.38 . 2 1029 93 Tyr HB3 H 2.72 . 2 1030 93 Tyr HD1 H 7.16 . 1 1031 93 Tyr HD2 H 7.16 . 1 1032 93 Tyr HE1 H 6.79 . 1 1033 93 Tyr HE2 H 6.79 . 1 1034 93 Tyr C C 176.1 . 1 1035 93 Tyr CA C 58.6 . 1 1036 93 Tyr CB C 37.5 . 1 1037 93 Tyr CD1 C 132.3 . 1 1038 93 Tyr CD2 C 132.3 . 1 1039 93 Tyr CE1 C 118.6 . 1 1040 93 Tyr CE2 C 118.6 . 1 1041 93 Tyr N N 119.4 . 1 1042 94 Phe H H 7.70 . 1 1043 94 Phe HA H 5.05 . 1 1044 94 Phe HB2 H 3.34 . 2 1045 94 Phe HB3 H 3.05 . 2 1046 94 Phe HD1 H 7.17 . 1 1047 94 Phe HD2 H 7.17 . 1 1048 94 Phe HE1 H 6.84 . 1 1049 94 Phe HE2 H 6.84 . 1 1050 94 Phe HZ H 6.59 . 1 1051 94 Phe C C 176.2 . 1 1052 94 Phe CA C 55.0 . 1 1053 94 Phe CB C 37.7 . 1 1054 94 Phe CD1 C 130.8 . 1 1055 94 Phe CD2 C 130.8 . 1 1056 94 Phe CE1 C 131.5 . 1 1057 94 Phe CE2 C 131.5 . 1 1058 94 Phe CZ C 127.8 . 1 1059 94 Phe N N 120.6 . 1 1060 95 Ser H H 7.53 . 1 1061 95 Ser HA H 4.22 . 1 1062 95 Ser HB2 H 4.25 . 2 1063 95 Ser HB3 H 3.98 . 2 1064 95 Ser C C 174.7 . 1 1065 95 Ser CA C 58.1 . 1 1066 95 Ser CB C 65.8 . 1 1067 95 Ser N N 122.9 . 1 1068 96 Thr H H 8.68 . 1 1069 96 Thr HA H 3.58 . 1 1070 96 Thr HB H 4.04 . 1 1071 96 Thr HG2 H 1.15 . 1 1072 96 Thr C C 175.9 . 1 1073 96 Thr CA C 66.0 . 1 1074 96 Thr CB C 68.4 . 1 1075 96 Thr CG2 C 22.1 . 1 1076 96 Thr N N 116.4 . 1 1077 97 Tyr H H 7.94 . 1 1078 97 Tyr HA H 4.31 . 1 1079 97 Tyr HB2 H 3.10 . 2 1080 97 Tyr HB3 H 2.78 . 2 1081 97 Tyr HD1 H 7.03 . 1 1082 97 Tyr HD2 H 7.03 . 1 1083 97 Tyr HE1 H 6.80 . 1 1084 97 Tyr HE2 H 6.80 . 1 1085 97 Tyr C C 177.7 . 1 1086 97 Tyr CA C 60.7 . 1 1087 97 Tyr CB C 38.1 . 1 1088 97 Tyr CD1 C 133.3 . 1 1089 97 Tyr CD2 C 133.3 . 1 1090 97 Tyr CE1 C 118.2 . 1 1091 97 Tyr CE2 C 118.2 . 1 1092 97 Tyr N N 120.4 . 1 1093 98 Met H H 7.32 . 1 1094 98 Met HA H 3.69 . 1 1095 98 Met HB2 H 1.87 . 2 1096 98 Met HB3 H 1.63 . 2 1097 98 Met HG2 H 2.22 . 2 1098 98 Met HG3 H 1.49 . 2 1099 98 Met HE H 1.72 . 1 1100 98 Met C C 177.7 . 1 1101 98 Met CA C 59.5 . 1 1102 98 Met CB C 33.7 . 1 1103 98 Met CG C 33.0 . 1 1104 98 Met CE C 17.5 . 1 1105 98 Met N N 118.9 . 1 1106 99 Gln H H 7.48 . 1 1107 99 Gln HA H 3.29 . 1 1108 99 Gln HB2 H 1.76 . 2 1109 99 Gln HB3 H 1.55 . 2 1110 99 Gln HG2 H 1.08 . 2 1111 99 Gln HG3 H 0.97 . 2 1112 99 Gln HE21 H 6.66 . 1 1113 99 Gln HE22 H 5.93 . 1 1114 99 Gln C C 177.9 . 1 1115 99 Gln CA C 59.4 . 1 1116 99 Gln CB C 28.3 . 1 1117 99 Gln CG C 33.8 . 1 1118 99 Gln N N 117.7 . 1 1119 99 Gln NE2 N 111.7 . 1 1120 100 Glu H H 8.48 . 1 1121 100 Glu HA H 3.96 . 1 1122 100 Glu HB2 H 2.06 . 1 1123 100 Glu HB3 H 2.06 . 1 1124 100 Glu HG2 H 2.41 . 2 1125 100 Glu HG3 H 2.30 . 2 1126 100 Glu C C 179.4 . 1 1127 100 Glu CA C 59.4 . 1 1128 100 Glu CB C 29.3 . 1 1129 100 Glu CG C 36.4 . 1 1130 100 Glu N N 118.1 . 1 1131 101 Gln H H 7.82 . 1 1132 101 Gln HA H 4.06 . 1 1133 101 Gln HB2 H 2.21 . 2 1134 101 Gln HB3 H 2.07 . 2 1135 101 Gln HG2 H 2.26 . 2 1136 101 Gln HG3 H 2.14 . 2 1137 101 Gln HE21 H 6.84 . 1 1138 101 Gln HE22 H 7.66 . 1 1139 101 Gln C C 179.0 . 1 1140 101 Gln CA C 59.1 . 1 1141 101 Gln CB C 29.6 . 1 1142 101 Gln CG C 34.9 . 1 1143 101 Gln N N 117.5 . 1 1144 101 Gln NE2 N 111.9 . 1 1145 102 Leu H H 7.85 . 1 1146 102 Leu HA H 4.19 . 1 1147 102 Leu HB2 H 2.33 . 2 1148 102 Leu HB3 H 1.51 . 2 1149 102 Leu HG H 2.29 . 1 1150 102 Leu HD1 H 1.24 . 1 1151 102 Leu HD2 H 0.99 . 1 1152 102 Leu C C 178.1 . 1 1153 102 Leu CA C 58.1 . 1 1154 102 Leu CB C 41.8 . 1 1155 102 Leu CG C 26.9 . 1 1156 102 Leu CD1 C 26.8 . 1 1157 102 Leu CD2 C 23.1 . 1 1158 102 Leu N N 117.0 . 1 1159 103 Lys H H 8.85 . 1 1160 103 Lys HA H 3.84 . 1 1161 103 Lys HB2 H 1.97 . 2 1162 103 Lys HB3 H 2.45 . 2 1163 103 Lys HG2 H 1.45 . 1 1164 103 Lys HG3 H 1.45 . 1 1165 103 Lys HD2 H 1.76 . 2 1166 103 Lys HD3 H 1.74 . 2 1167 103 Lys HE2 H 2.97 . 1 1168 103 Lys HE3 H 2.97 . 1 1169 103 Lys C C 178.7 . 1 1170 103 Lys CA C 60.4 . 1 1171 103 Lys CB C 32.3 . 1 1172 103 Lys CG C 24.9 . 1 1173 103 Lys CD C 29.4 . 1 1174 103 Lys CE C 42.2 . 1 1175 103 Lys N N 120.0 . 1 1176 104 Glu H H 7.96 . 1 1177 104 Glu HA H 4.07 . 1 1178 104 Glu HB2 H 2.11 . 1 1179 104 Glu HB3 H 2.11 . 1 1180 104 Glu HG2 H 2.41 . 1 1181 104 Glu HG3 H 2.41 . 1 1182 104 Glu C C 178.7 . 1 1183 104 Glu CA C 59.2 . 1 1184 104 Glu CB C 29.4 . 1 1185 104 Glu CG C 36.1 . 1 1186 104 Glu N N 116.4 . 1 1187 105 Leu H H 7.39 . 1 1188 105 Leu HA H 4.26 . 1 1189 105 Leu HB2 H 1.94 . 2 1190 105 Leu HB3 H 1.41 . 2 1191 105 Leu HG H 1.98 . 1 1192 105 Leu HD1 H 0.80 . 1 1193 105 Leu HD2 H 0.89 . 1 1194 105 Leu C C 179.9 . 1 1195 105 Leu CA C 57.0 . 1 1196 105 Leu CB C 41.9 . 1 1197 105 Leu CG C 26.6 . 1 1198 105 Leu CD1 C 26.8 . 1 1199 105 Leu CD2 C 22.2 . 1 1200 105 Leu N N 117.5 . 1 1201 106 Val H H 8.21 . 1 1202 106 Val HA H 3.76 . 1 1203 106 Val HB H 2.23 . 1 1204 106 Val HG1 H 0.95 . 2 1205 106 Val HG2 H 0.92 . 2 1206 106 Val C C 177.6 . 1 1207 106 Val CA C 66.2 . 1 1208 106 Val CB C 31.8 . 1 1209 106 Val CG1 C 23.2 . 2 1210 106 Val CG2 C 21.9 . 2 1211 106 Val N N 122.2 . 1 1212 107 Leu H H 8.19 . 1 1213 107 Leu HA H 4.12 . 1 1214 107 Leu HB2 H 1.82 . 2 1215 107 Leu HB3 H 1.51 . 2 1216 107 Leu HG H 1.77 . 1 1217 107 Leu HD1 H 0.91 . 1 1218 107 Leu HD2 H 0.87 . 1 1219 107 Leu C C 178.7 . 1 1220 107 Leu CA C 57.2 . 1 1221 107 Leu CB C 41.7 . 1 1222 107 Leu CG C 27.0 . 1 1223 107 Leu CD1 C 25.4 . 1 1224 107 Leu CD2 C 23.0 . 1 1225 107 Leu N N 120.3 . 1 1226 108 Glu H H 7.92 . 1 1227 108 Glu HA H 4.13 . 1 1228 108 Glu HB2 H 2.07 . 1 1229 108 Glu HB3 H 2.07 . 1 1230 108 Glu HG2 H 2.32 . 2 1231 108 Glu HG3 H 2.27 . 2 1232 108 Glu C C 177.5 . 1 1233 108 Glu CA C 58.1 . 1 1234 108 Glu CB C 29.7 . 1 1235 108 Glu CG C 36.1 . 1 1236 108 Glu N N 118.5 . 1 stop_ save_