save_monomeric_polymer _Saveframe_category monomeric_polymer _Mol_type . _Mol_polymer_class . _Name_common . _Residue_count 125 _Mol_residue_sequence ; MNRQQFIDYA QKKYDTKPDH PWEKFPDYAV FRHSDNDKWY ALLMDIPAEK IGINGDKRVD VIDLKVQPEL VGSLRKKPGI YPAYHMNKEH WITVLLNGPL GAKEIHSLIE DSFQLTRLEH HHHHH ; loop_ _Residue_seq_code _Residue_label 1 Met 2 Asn 3 Arg 4 Gln 5 Gln 6 Phe 7 Ile 8 Asp 9 Tyr 10 Ala 11 Gln 12 Lys 13 Lys 14 Tyr 15 Asp 16 Thr 17 Lys 18 Pro 19 Asp 20 His 21 Pro 22 Trp 23 Glu 24 Lys 25 Phe 26 Pro 27 Asp 28 Tyr 29 Ala 30 Val 31 Phe 32 Arg 33 His 34 Ser 35 Asp 36 Asn 37 Asp 38 Lys 39 Trp 40 Tyr 41 Ala 42 Leu 43 Leu 44 Met 45 Asp 46 Ile 47 Pro 48 Ala 49 Glu 50 Lys 51 Ile 52 Gly 53 Ile 54 Asn 55 Gly 56 Asp 57 Lys 58 Arg 59 Val 60 Asp 61 Val 62 Ile 63 Asp 64 Leu 65 Lys 66 Val 67 Gln 68 Pro 69 Glu 70 Leu 71 Val 72 Gly 73 Ser 74 Leu 75 Arg 76 Lys 77 Lys 78 Pro 79 Gly 80 Ile 81 Tyr 82 Pro 83 Ala 84 Tyr 85 His 86 Met 87 Asn 88 Lys 89 Glu 90 His 91 Trp 92 Ile 93 Thr 94 Val 95 Leu 96 Leu 97 Asn 98 Gly 99 Pro 100 Leu 101 Gly 102 Ala 103 Lys 104 Glu 105 Ile 106 His 107 Ser 108 Leu 109 Ile 110 Glu 111 Asp 112 Ser 113 Phe 114 Gln 115 Leu 116 Thr 117 Arg 118 Leu 119 Glu 120 His 121 His 122 His 123 His 124 His 125 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 4.21 . 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 stop_ save_