# # The original sequence entered was: # MPVRAQRIQHVMQDTIINFYSTSDDYGDFSNFAAWPIKVDGKTWPTSEHYFQAQKFLDEKYREEIRRVSSPMVAARMGRDRSKPLRKNWESVKEQVMRKALRAKFEQHAELRALLLATAPAKLVEHTENDAYWGDGGHGKGKNRLGYLLMELREQLAIEKLEHHHHHH # # Expressed in NMR-STAR 2.1, this sequence is: _Mol_residue_sequence ; MPVRAQRIQHVMQDTIINFY STSDDYGDFSNFAAWPIKVD GKTWPTSEHYFQAQKFLDEK YREEIRRVSSPMVAARMGRD RSKPLRKNWESVKEQVMRKA LRAKFEQHAELRALLLATAP AKLVEHTENDAYWGDGGHGK GKNRLGYLLMELREQLAIEK LEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 @ MET 2 @ PRO 3 @ VAL 4 @ ARG 5 @ ALA 6 @ GLN 7 @ ARG 8 @ ILE 9 @ GLN 10 @ HIS 11 @ VAL 12 @ MET 13 @ GLN 14 @ ASP 15 @ THR 16 @ ILE 17 @ ILE 18 @ ASN 19 @ PHE 20 @ TYR 21 @ SER 22 @ THR 23 @ SER 24 @ ASP 25 @ ASP 26 @ TYR 27 @ GLY 28 @ ASP 29 @ PHE 30 @ SER 31 @ ASN 32 @ PHE 33 @ ALA 34 @ ALA 35 @ TRP 36 @ PRO 37 @ ILE 38 @ LYS 39 @ VAL 40 @ ASP 41 @ GLY 42 @ LYS 43 @ THR 44 @ TRP 45 @ PRO 46 @ THR 47 @ SER 48 @ GLU 49 @ HIS 50 @ TYR 51 @ PHE 52 @ GLN 53 @ ALA 54 @ GLN 55 @ LYS 56 @ PHE 57 @ LEU 58 @ ASP 59 @ GLU 60 @ LYS 61 @ TYR 62 @ ARG 63 @ GLU 64 @ GLU 65 @ ILE 66 @ ARG 67 @ ARG 68 @ VAL 69 @ SER 70 @ SER 71 @ PRO 72 @ MET 73 @ VAL 74 @ ALA 75 @ ALA 76 @ ARG 77 @ MET 78 @ GLY 79 @ ARG 80 @ ASP 81 @ ARG 82 @ SER 83 @ LYS 84 @ PRO 85 @ LEU 86 @ ARG 87 @ LYS 88 @ ASN 89 @ TRP 90 @ GLU 91 @ SER 92 @ VAL 93 @ LYS 94 @ GLU 95 @ GLN 96 @ VAL 97 @ MET 98 @ ARG 99 @ LYS 100 @ ALA 101 @ LEU 102 @ ARG 103 @ ALA 104 @ LYS 105 @ PHE 106 @ GLU 107 @ GLN 108 @ HIS 109 @ ALA 110 @ GLU 111 @ LEU 112 @ ARG 113 @ ALA 114 @ LEU 115 @ LEU 116 @ LEU 117 @ ALA 118 @ THR 119 @ ALA 120 @ PRO 121 @ ALA 122 @ LYS 123 @ LEU 124 @ VAL 125 @ GLU 126 @ HIS 127 @ THR 128 @ GLU 129 @ ASN 130 @ ASP 131 @ ALA 132 @ TYR 133 @ TRP 134 @ GLY 135 @ ASP 136 @ GLY 137 @ GLY 138 @ HIS 139 @ GLY 140 @ LYS 141 @ GLY 142 @ LYS 143 @ ASN 144 @ ARG 145 @ LEU 146 @ GLY 147 @ TYR 148 @ LEU 149 @ LEU 150 @ MET 151 @ GLU 152 @ LEU 153 @ ARG 154 @ GLU 155 @ GLN 156 @ LEU 157 @ ALA 158 @ ILE 159 @ GLU 160 @ LYS 161 @ LEU 162 @ GLU 163 @ HIS 164 @ HIS 165 @ HIS 166 @ HIS 167 @ HIS 168 @ HIS stop_ ################################################################### # Chemical Shift Ambiguity Code Definitions # # # # Codes Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### # INSTRUCTIONS # 1) Replace the @-signs with appropriate values. # 2) Text comments concerning the assignments can be # supplied in the full deposition. # 3) Feel free to add or delete rows to the table as needed. # The row numbers (_Atom_shift_assign_ID values) will be # re-assigned to sequential values by BMRB # The atom table chosen for this sequence is: 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 # #Atom Residue #shift Seq Residue Atom Atom Shift/ Error/ Ambiguity #assign code Label Name Type ppm ppm Code #--------------------------------------------------------------- # 14 2 PRO HA H 4.47 0.02 1 15 2 PRO HB2 H 2.02 0.02 2 16 2 PRO HB3 H 2.48 0.02 2 17 2 PRO HG2 H 2.01 0.02 2 18 2 PRO HG3 H 2.08 0.02 2 19 2 PRO HD2 H 3.41 0.02 2 20 2 PRO HD3 H 3.41 0.02 2 22 2 PRO CA C 62.4 0.2 1 23 2 PRO CB C 32.7 0.2 1 24 2 PRO CG C 26.6 0.2 1 25 2 PRO CD C 49.4 0.2 1 27 3 VAL H H 7.28 0.02 1 28 3 VAL HA H 4.17 0.02 1 29 3 VAL HB H 2.06 0.02 1 30 3 VAL HG1 H 0.94 0.02 2 31 3 VAL HG2 H 0.95 0.02 2 32 3 VAL C C 175.8 0.2 1 33 3 VAL CA C 62.5 0.2 1 34 3 VAL CB C 32.8 0.2 1 35 3 VAL CG1 C 20.9 0.2 2 36 3 VAL CG2 C 20.9 0.2 2 38 4 ARG H H 8.56 0.02 1 39 4 ARG HA H 4.33 0.02 1 40 4 ARG HB2 H 1.77 0.02 2 41 4 ARG HB3 H 1.85 0.02 2 42 4 ARG HG2 H 1.65 0.02 2 43 4 ARG HG3 H 1.65 0.02 2 44 4 ARG HD2 H 3.21 0.02 2 45 4 ARG HD3 H 3.21 0.02 2 51 4 ARG C C 174.1 0.2 1 52 4 ARG CA C 56.1 0.2 1 53 4 ARG CB C 30.9 0.2 1 54 4 ARG CG C 27.2 0.2 1 55 4 ARG CD C 43.4 0.2 1 57 4 ARG N N 125.6 0.2 1 61 5 ALA H H 8.39 0.02 1 62 5 ALA HA H 4.28 0.02 1 63 5 ALA HB H 1.36 0.02 1 64 5 ALA C C 177.4 0.2 1 65 5 ALA CA C 52.5 0.2 1 66 5 ALA CB C 19.3 0.2 1 67 5 ALA N N 126.0 0.2 1 68 6 GLN H H 8.35 0.02 1 69 6 GLN HA H 4.32 0.02 1 70 6 GLN HB2 H 1.97 0.02 2 71 6 GLN HB3 H 2.06 0.02 2 72 6 GLN HG2 H 2.33 0.02 2 73 6 GLN HG3 H 2.33 0.02 2 74 6 GLN HE21 H 7.55 0.02 2 75 6 GLN HE22 H 6.74 0.02 2 76 6 GLN C C 175.8 0.2 1 77 6 GLN CA C 55.8 0.2 1 78 6 GLN CB C 29.7 0.2 1 79 6 GLN CG C 33.8 0.2 1 81 6 GLN N N 120.0 0.2 1 82 6 GLN NE2 N 112.2 0.2 1 83 7 ARG H H 8.42 0.02 1 84 7 ARG HA H 4.34 0.02 1 85 7 ARG HB2 H 1.77 0.02 2 86 7 ARG HB3 H 1.84 0.02 2 87 7 ARG HG2 H 1.62 0.02 2 88 7 ARG HG3 H 1.62 0.02 2 89 7 ARG HD2 H 3.20 0.02 2 90 7 ARG HD3 H 3.20 0.02 2 96 7 ARG C C 176.1 0.2 1 97 7 ARG CA C 56.2 0.2 1 98 7 ARG CB C 30.9 0.2 1 99 7 ARG CG C 27.2 0.2 1 100 7 ARG CD C 43.5 0.2 1 102 7 ARG N N 122.7 0.2 1 106 8 ILE H H 8.24 0.02 1 107 8 ILE HA H 4.14 0.02 1 108 8 ILE HB H 1.82 0.02 1 109 8 ILE HG12 H 1.18 0.02 2 110 8 ILE HG13 H 1.47 0.02 2 111 8 ILE HG2 H 0.84 0.02 1 112 8 ILE HD1 H 0.86 0.02 1 113 8 ILE C C 175.9 0.2 1 114 8 ILE CA C 61.1 0.2 1 115 8 ILE CB C 38.6 0.2 1 116 8 ILE CG1 C 27.4 0.2 1 117 8 ILE CG2 C 17.4 0.2 1 118 8 ILE CD1 C 12.9 0.2 1 119 8 ILE N N 122.8 0.2 1 120 9 GLN H H 8.45 0.02 1 121 9 GLN HA H 4.34 0.02 1 122 9 GLN HB2 H 1.96 0.02 2 123 9 GLN HB3 H 1.96 0.02 2 124 9 GLN HG2 H 2.33 0.02 2 125 9 GLN HG3 H 2.33 0.02 2 126 9 GLN HE21 H 7.55 0.02 2 127 9 GLN HE22 H 6.87 0.02 2 128 9 GLN C C 175.5 0.2 1 129 9 GLN CA C 55.9 0.2 1 130 9 GLN CB C 29.9 0.2 1 131 9 GLN CG C 33.8 0.2 1 133 9 GLN N N 124.8 0.2 1 134 9 GLN NE2 N 112.2 0.2 1 135 10 HIS H H 8.43 0.02 1 136 10 HIS HA H 4.70 0.02 1 137 10 HIS HB2 H 3.13 0.02 2 138 10 HIS HB3 H 3.13 0.02 2 140 10 HIS HD2 H 7.11 0.02 1 143 10 HIS C C 174.6 0.2 1 144 10 HIS CA C 55.9 0.2 1 145 10 HIS CB C 30.3 0.2 1 147 10 HIS CD2 C 119.9 0.2 1 149 10 HIS N N 121.0 0.2 1 152 11 VAL H H 8.24 0.02 1 153 11 VAL HA H 4.11 0.02 1 154 11 VAL HB H 2.05 0.02 1 155 11 VAL HG1 H 0.92 0.02 1 156 11 VAL HG2 H 0.92 0.02 1 157 11 VAL C C 175.6 0.2 1 158 11 VAL CA C 62.5 0.2 1 159 11 VAL CB C 32.9 0.2 1 160 11 VAL CG1 C 21.7 0.2 1 161 11 VAL CG2 C 20.6 0.2 1 162 11 VAL N N 121.8 0.2 1 163 12 MET H H 8.63 0.02 1 164 12 MET HA H 4.60 0.02 1 165 12 MET HB2 H 2.06 0.02 2 166 12 MET HB3 H 2.16 0.02 2 167 12 MET HG2 H 2.53 0.02 2 168 12 MET HG3 H 2.63 0.02 2 169 12 MET HE H 2.12 0.02 1 170 12 MET C C 176.4 0.2 1 171 12 MET CA C 54.9 0.2 1 172 12 MET CB C 33.7 0.2 1 173 12 MET CG C 32.2 0.2 1 174 12 MET CE C 17.2 0.2 1 175 12 MET N N 123.7 0.2 1 176 13 GLN H H 8.50 0.02 1 177 13 GLN HA H 4.14 0.02 1 178 13 GLN HB2 H 2.07 0.02 2 179 13 GLN HB3 H 2.07 0.02 2 180 13 GLN HG2 H 2.40 0.02 2 181 13 GLN HG3 H 2.40 0.02 2 182 13 GLN HE21 H 7.55 0.02 2 183 13 GLN HE22 H 6.87 0.02 2 184 13 GLN C C 175.7 0.2 1 185 13 GLN CA C 57.3 0.2 1 186 13 GLN CB C 29.1 0.2 1 187 13 GLN CG C 33.7 0.2 1 189 13 GLN N N 120.3 0.2 1 190 13 GLN NE2 N 112.2 0.2 1 191 14 ASP H H 8.28 0.02 1 192 14 ASP HA H 4.63 0.02 1 193 14 ASP HB2 H 2.69 0.02 2 194 14 ASP HB3 H 2.69 0.02 2 195 14 ASP C C 116.9 0.2 1 196 14 ASP CA C 54.2 0.2 1 197 14 ASP CB C 40.8 0.2 1 199 14 ASP N N 118.2 0.2 1 200 15 THR H H 7.97 0.02 1 201 15 THR HA H 4.23 0.02 1 202 15 THR HB H 4.13 0.02 1 204 15 THR HG2 H 1.23 0.02 1 205 15 THR C C 173.3 0.2 1 206 15 THR CA C 63.4 0.2 1 207 15 THR CB C 69.7 0.2 1 208 15 THR CG2 C 21.9 0.2 1 209 15 THR N N 116.9 0.2 1 210 16 ILE H H 8.33 0.02 1 211 16 ILE HA H 4.56 0.02 1 212 16 ILE HB H 1.63 0.02 1 213 16 ILE HG12 H 0.95 0.02 2 214 16 ILE HG13 H 1.53 0.02 2 215 16 ILE HG2 H 0.68 0.02 1 216 16 ILE HD1 H 0.83 0.02 1 217 16 ILE C C 175.4 0.2 1 218 16 ILE CA C 60.5 0.2 1 219 16 ILE CB C 40.8 0.2 1 220 16 ILE CG1 C 28.0 0.2 1 221 16 ILE CG2 C 17.6 0.2 1 222 16 ILE CD1 C 13.5 0.2 1 223 16 ILE N N 125.9 0.2 1 224 17 ILE H H 9.05 0.02 1 225 17 ILE HA H 4.10 0.02 1 226 17 ILE HB H 1.63 0.02 1 227 17 ILE HG12 H 0.82 0.02 2 228 17 ILE HG13 H 1.21 0.02 2 229 17 ILE HG2 H 0.32 0.02 1 230 17 ILE HD1 H 0.41 0.02 1 231 17 ILE C C 173.5 0.2 1 232 17 ILE CA C 60.9 0.2 1 233 17 ILE CB C 39.3 0.2 1 234 17 ILE CG1 C 27.3 0.2 1 235 17 ILE CG2 C 16.4 0.2 1 236 17 ILE CD1 C 12.9 0.2 1 237 17 ILE N N 129.3 0.2 1 238 18 ASN H H 8.31 0.02 1 239 18 ASN HA H 5.81 0.02 1 240 18 ASN HB2 H 2.30 0.02 2 241 18 ASN HB3 H 2.67 0.02 2 242 18 ASN HD21 H 7.03 0.02 1 243 18 ASN HD22 H 6.00 0.02 1 244 18 ASN C C 175.3 0.2 1 245 18 ASN CA C 51.9 0.2 1 246 18 ASN CB C 40.9 0.2 1 248 18 ASN N N 126.2 0.2 1 249 18 ASN ND2 N 109.0 0.2 1 250 19 PHE H H 8.95 0.02 1 251 19 PHE HA H 5.14 0.02 1 252 19 PHE HB2 H 2.88 0.02 2 253 19 PHE HB3 H 2.88 0.02 2 254 19 PHE HD1 H 6.99 0.02 3 255 19 PHE HD2 H 6.99 0.02 3 256 19 PHE HE1 H 6.96 0.02 3 257 19 PHE HE2 H 6.96 0.02 3 258 19 PHE HZ H 6.83 0.02 1 260 19 PHE CA C 56.6 0.2 1 261 19 PHE CB C 43.1 0.2 1 263 19 PHE CD1 C 132.4 0.2 3 264 19 PHE CD2 C 132.4 0.2 3 265 19 PHE CE1 C 130.5 0.2 3 266 19 PHE CE2 C 130.5 0.2 3 267 19 PHE CZ C 129.2 0.2 1 268 19 PHE N N 118.2 0.2 1 270 20 TYR HA H 3.96 0.02 1 271 20 TYR HB2 H 2.71 0.02 2 272 20 TYR HB3 H 2.71 0.02 2 273 20 TYR HD1 H 7.04 0.02 3 274 20 TYR HD2 H 7.04 0.02 3 275 20 TYR HE1 H 6.74 0.02 3 276 20 TYR HE2 H 6.74 0.02 3 279 20 TYR CA C 63.5 0.2 1 280 20 TYR CB C 39.5 0.2 1 282 20 TYR CD1 C 132.9 0.2 3 283 20 TYR CD2 C 132.9 0.2 3 284 20 TYR CE1 C 118.0 0.2 3 285 20 TYR CE2 C 118.0 0.2 3 298 22 THR HA H 4.38 0.02 1 299 22 THR HB H 4.18 0.02 1 301 22 THR HG2 H 1.32 0.02 1 303 22 THR CA C 68.3 0.2 1 304 22 THR CB C 64.3 0.2 1 305 22 THR CG2 C 22.3 0.2 1 335 26 TYR HA H 4.30 0.02 1 336 26 TYR HB2 H 2.46 0.02 2 337 26 TYR HB3 H 2.64 0.02 2 338 26 TYR HD1 H 6.54 0.02 3 339 26 TYR HD2 H 6.54 0.02 3 340 26 TYR HE1 H 6.73 0.02 3 341 26 TYR HE2 H 6.73 0.02 3 344 26 TYR CA C 56.0 0.2 1 345 26 TYR CB C 40.4 0.2 1 347 26 TYR CD1 C 133.1 0.2 3 348 26 TYR CD2 C 133.1 0.2 3 349 26 TYR CE1 C 118.0 0.2 3 350 26 TYR CE2 C 118.0 0.2 3 354 27 GLY HA2 H 3.76 0.02 2 355 27 GLY HA3 H 4.14 0.02 2 357 27 GLY CA C 48.3 0.2 1 360 28 ASP HA H 4.69 0.02 1 361 28 ASP HB2 H 1.90 0.02 2 362 28 ASP HB3 H 2.56 0.02 2 363 28 ASP C C 177.5 0.2 1 364 28 ASP CA C 57.2 0.2 1 365 28 ASP CB C 42.1 0.2 1 368 29 PHE H H 8.06 0.02 1 369 29 PHE HA H 4.39 0.02 1 370 29 PHE HB2 H 2.09 0.02 2 371 29 PHE HB3 H 2.27 0.02 2 372 29 PHE HD1 H 6.57 0.02 3 373 29 PHE HD2 H 6.57 0.02 3 374 29 PHE HE1 H 6.99 0.02 3 375 29 PHE HE2 H 6.99 0.02 3 376 29 PHE HZ H 7.08 0.02 1 377 29 PHE C C 177.0 0.2 1 378 29 PHE CA C 55.2 0.2 1 379 29 PHE CB C 35.4 0.2 1 381 29 PHE CD1 C 128.9 0.2 3 382 29 PHE CD2 C 128.9 0.2 3 383 29 PHE CE1 C 130.7 0.2 3 384 29 PHE CE2 C 130.7 0.2 3 385 29 PHE CZ C 127.9 0.2 1 386 29 PHE N N 117.4 0.2 1 387 30 SER H H 7.68 0.02 1 388 30 SER HA H 4.41 0.02 1 389 30 SER HB2 H 4.02 0.02 2 390 30 SER HB3 H 4.20 0.02 2 392 30 SER C C 178.7 0.2 1 393 30 SER CA C 58.0 0.2 1 394 30 SER CB C 63.5 0.2 1 395 30 SER N N 113.4 0.2 1 396 31 ASN H H 9.59 0.02 1 397 31 ASN HA H 4.61 0.02 1 398 31 ASN HB2 H 2.91 0.02 2 399 31 ASN HB3 H 2.93 0.02 2 400 31 ASN HD21 H 8.41 0.02 2 401 31 ASN HD22 H 6.03 0.02 2 402 31 ASN C C 175.9 0.2 1 403 31 ASN CA C 56.0 0.2 1 404 31 ASN CB C 37.2 0.2 1 406 31 ASN N N 126.5 0.2 1 407 31 ASN ND2 N 115.7 0.2 1 408 32 PHE H H 8.62 0.02 1 409 32 PHE HA H 4.46 0.02 1 410 32 PHE HB2 H 3.15 0.02 2 411 32 PHE HB3 H 3.19 0.02 2 412 32 PHE HD1 H 7.17 0.02 3 413 32 PHE HD2 H 7.17 0.02 3 414 32 PHE HE1 H 7.24 0.02 3 415 32 PHE HE2 H 7.24 0.02 3 416 32 PHE HZ H 7.21 0.02 1 417 32 PHE C C 175.7 0.2 1 418 32 PHE CA C 56.8 0.2 1 419 32 PHE CB C 38.4 0.2 1 421 32 PHE CD1 C 130.2 0.2 3 422 32 PHE CD2 C 130.2 0.2 3 423 32 PHE CE1 C 131.7 0.2 3 424 32 PHE CE2 C 131.7 0.2 3 425 32 PHE CZ C 129.7 0.2 1 426 32 PHE N N 118.0 0.2 1 427 33 ALA H H 7.51 0.02 1 428 33 ALA HA H 4.33 0.02 1 429 33 ALA HB H 1.94 0.02 1 430 33 ALA C C 178.9 0.2 1 431 33 ALA CA C 53.3 0.2 1 432 33 ALA CB C 21.1 0.2 1 433 33 ALA N N 121.4 0.2 1 434 34 ALA H H 8.80 0.02 1 435 34 ALA HA H 4.30 0.02 1 436 34 ALA HB H 1.22 0.02 1 437 34 ALA C C 174.4 0.2 1 438 34 ALA CA C 52.8 0.2 1 439 34 ALA CB C 16.8 0.2 1 440 34 ALA N N 127.6 0.2 1 441 35 TRP H H 7.63 0.02 1 442 35 TRP HA H 4.71 0.02 1 443 35 TRP HB2 H 2.28 0.02 2 444 35 TRP HB3 H 2.55 0.02 2 445 35 TRP HD1 H 6.64 0.02 1 446 35 TRP HE1 H 10.47 0.02 1 447 35 TRP HE3 H 6.15 0.02 1 448 35 TRP HZ2 H 7.28 0.02 1 449 35 TRP HZ3 H 7.06 0.02 1 450 35 TRP HH2 H 7.10 0.02 1 452 35 TRP CA C 52.9 0.2 1 453 35 TRP CB C 30.6 0.2 1 455 35 TRP CD1 C 125.2 0.2 1 458 35 TRP CE3 C 119.5 0.2 1 459 35 TRP CZ2 C 114.9 0.2 1 460 35 TRP CZ3 C 121.5 0.2 1 461 35 TRP CH2 C 124.4 0.2 1 462 35 TRP N N 126.3 0.2 1 463 35 TRP NE1 N 128.5 0.2 1 464 36 PRO HA H 4.80 0.02 1 465 36 PRO HB2 H 1.82 0.02 2 466 36 PRO HB3 H 2.21 0.02 2 467 36 PRO HG2 H 2.00 0.02 2 468 36 PRO HG3 H 2.11 0.02 2 469 36 PRO HD2 H 3.61 0.02 2 470 36 PRO HD3 H 3.73 0.02 2 471 36 PRO C C 178.5 0.2 1 472 36 PRO CA C 63.2 0.2 1 473 36 PRO CB C 32.6 0.2 1 474 36 PRO CG C 27.7 0.2 1 475 36 PRO CD C 50.9 0.2 1 477 37 ILE H H 8.91 0.02 1 478 37 ILE HA H 5.00 0.02 1 479 37 ILE HB H 1.52 0.02 1 480 37 ILE HG12 H 1.04 0.02 2 481 37 ILE HG13 H 1.75 0.02 2 482 37 ILE HG2 H 0.98 0.02 1 483 37 ILE HD1 H 0.66 0.02 1 484 37 ILE C C 173.9 0.2 1 485 37 ILE CA C 59.0 0.2 1 486 37 ILE CB C 43.5 0.2 1 487 37 ILE CG1 C 25.1 0.2 1 488 37 ILE CG2 C 17.9 0.2 1 489 37 ILE CD1 C 14.0 0.2 1 490 37 ILE N N 115.3 0.2 1 491 38 LYS H H 9.86 0.02 1 492 38 LYS HA H 5.31 0.02 1 493 38 LYS HB2 H 1.60 0.02 2 494 38 LYS HB3 H 1.72 0.02 2 495 38 LYS HG2 H 1.55 0.02 2 496 38 LYS HG3 H 1.62 0.02 2 497 38 LYS HD2 H 1.19 0.02 2 498 38 LYS HD3 H 1.27 0.02 2 499 38 LYS HE2 H 2.82 0.02 2 500 38 LYS HE3 H 2.82 0.02 2 502 38 LYS C C 177.2 0.2 1 503 38 LYS CA C 55.2 0.2 1 504 38 LYS CB C 32.9 0.2 1 505 38 LYS CG C 29.4 0.2 1 506 38 LYS CD C 24.9 0.2 1 507 38 LYS CE C 41.9 0.2 1 508 38 LYS N N 126.0 0.2 1 510 39 VAL H H 9.21 0.02 1 511 39 VAL HA H 4.20 0.02 1 512 39 VAL HB H 1.58 0.02 1 513 39 VAL HG1 H 0.52 0.02 1 514 39 VAL HG2 H 0.30 0.02 1 515 39 VAL C C 176.0 0.2 1 516 39 VAL CA C 61.7 0.2 1 517 39 VAL CB C 35.5 0.2 1 518 39 VAL CG1 C 22.7 0.2 1 519 39 VAL CG2 C 20.9 0.2 1 520 39 VAL N N 124.9 0.2 1 521 40 ASP H H 9.63 0.02 1 522 40 ASP HA H 4.42 0.02 1 523 40 ASP HB2 H 3.10 0.02 2 524 40 ASP HB3 H 3.18 0.02 2 525 40 ASP C C 176.0 0.2 1 526 40 ASP CA C 55.7 0.2 1 527 40 ASP CB C 39.6 0.2 1 529 40 ASP N N 127.9 0.2 1 530 41 GLY H H 8.81 0.02 1 531 41 GLY HA2 H 3.63 0.02 2 532 41 GLY HA3 H 4.23 0.02 2 533 41 GLY C C 173.9 0.2 1 534 41 GLY CA C 45.6 0.2 1 535 41 GLY N N 103.2 0.2 1 536 42 LYS H H 7.78 0.02 1 537 42 LYS HA H 4.72 0.02 1 538 42 LYS HB2 H 1.20 0.02 2 539 42 LYS HB3 H 1.65 0.02 2 540 42 LYS HG2 H 1.48 0.02 2 541 42 LYS HG3 H 1.65 0.02 2 542 42 LYS HD2 H 1.37 0.02 2 543 42 LYS HD3 H 1.55 0.02 2 544 42 LYS HE2 H 3.00 0.02 2 545 42 LYS HE3 H 3.06 0.02 2 547 42 LYS C C 174.5 0.2 1 548 42 LYS CA C 54.5 0.2 1 549 42 LYS CB C 37.2 0.2 1 550 42 LYS CG C 29.8 0.2 1 551 42 LYS CD C 24.9 0.2 1 552 42 LYS CE C 42.3 0.2 1 553 42 LYS N N 119.2 0.2 1 555 43 THR H H 8.29 0.02 1 556 43 THR HA H 4.86 0.02 1 557 43 THR HB H 3.82 0.02 1 559 43 THR HG2 H 1.00 0.02 1 560 43 THR C C 174.2 0.2 1 561 43 THR CA C 62.5 0.2 1 562 43 THR CB C 68.8 0.2 1 563 43 THR CG2 C 21.8 0.2 1 564 43 THR N N 116.8 0.2 1 565 44 TRP H H 10.09 0.02 1 566 44 TRP HA H 4.79 0.02 1 567 44 TRP HB2 H 3.17 0.02 2 568 44 TRP HB3 H 3.30 0.02 2 569 44 TRP HD1 H 7.50 0.02 1 570 44 TRP HE1 H 10.54 0.02 1 571 44 TRP HE3 H 7.43 0.02 1 572 44 TRP HZ2 H 7.77 0.02 1 573 44 TRP HZ3 H 6.96 0.02 1 574 44 TRP HH2 H 7.07 0.02 1 576 44 TRP CA C 53.5 0.2 1 577 44 TRP CB C 29.7 0.2 1 579 44 TRP CD1 C 129.5 0.2 1 582 44 TRP CE3 C 118.5 0.2 1 583 44 TRP CZ2 C 115.3 0.2 1 584 44 TRP CZ3 C 122.8 0.2 1 585 44 TRP CH2 C 124.1 0.2 1 586 44 TRP N N 132.5 0.2 1 587 44 TRP NE1 N 131.8 0.2 1 588 45 PRO HA H 4.05 0.02 1 589 45 PRO HB2 H 0.69 0.02 2 590 45 PRO HB3 H 2.22 0.02 2 591 45 PRO HG2 H 1.75 0.02 2 592 45 PRO HG3 H 1.75 0.02 2 593 45 PRO HD2 H 3.28 0.02 2 594 45 PRO HD3 H 3.97 0.02 2 595 45 PRO C C 175.6 0.2 1 596 45 PRO CA C 66.3 0.2 1 597 45 PRO CB C 32.4 0.2 1 598 45 PRO CG C 27.7 0.2 1 599 45 PRO CD C 51.9 0.2 1 601 46 THR H H 6.68 0.02 1 602 46 THR HA H 4.98 0.02 1 603 46 THR HB H 4.83 0.02 1 605 46 THR HG2 H 1.36 0.02 1 606 46 THR C C 176.5 0.2 1 607 46 THR CA C 60.9 0.2 1 608 46 THR CB C 75.8 0.2 1 609 46 THR CG2 C 24.2 0.2 1 610 46 THR N N 98.2 0.2 1 611 47 SER H H 9.60 0.02 1 612 47 SER HA H 4.20 0.02 1 613 47 SER HB2 H 3.85 0.02 2 614 47 SER HB3 H 3.98 0.02 2 616 47 SER C C 175.8 0.2 1 617 47 SER CA C 62.2 0.2 1 618 47 SER CB C 62.1 0.2 1 619 47 SER N N 115.9 0.2 1 620 48 GLU H H 7.94 0.02 1 621 48 GLU HA H 4.06 0.02 1 622 48 GLU HB2 H 1.90 0.02 2 623 48 GLU HB3 H 1.90 0.02 2 624 48 GLU HG2 H 2.03 0.02 2 625 48 GLU HG3 H 2.03 0.02 2 626 48 GLU C C 178.4 0.2 1 627 48 GLU CA C 60.0 0.2 1 628 48 GLU CB C 29.1 0.2 1 629 48 GLU CG C 34.2 0.2 1 631 48 GLU N N 124.4 0.2 1 632 49 HIS H H 8.37 0.02 1 633 49 HIS HA H 3.73 0.02 1 634 49 HIS HB2 H 3.30 0.02 2 635 49 HIS HB3 H 3.84 0.02 2 636 49 HIS HD1 H 9.00 0.02 1 637 49 HIS HD2 H 8.13 0.02 1 638 49 HIS HE1 H 7.22 0.02 1 639 49 HIS HE2 H 11.30 0.02 1 640 49 HIS C C 176.6 0.2 1 641 49 HIS CA C 61.8 0.2 1 642 49 HIS CB C 32.7 0.2 1 644 49 HIS CD2 C 121.7 0.2 1 645 49 HIS CE1 C 136.7 0.2 1 646 49 HIS N N 116.5 0.2 1 648 49 HIS NE2 N 168.5 0.2 1 649 50 TYR H H 7.19 0.02 1 650 50 TYR HA H 2.76 0.02 1 651 50 TYR HB2 H 2.27 0.02 2 652 50 TYR HB3 H 2.62 0.02 2 653 50 TYR HD1 H 5.56 0.02 3 654 50 TYR HD2 H 5.56 0.02 3 655 50 TYR HE1 H 6.53 0.02 3 656 50 TYR HE2 H 6.53 0.02 3 658 50 TYR C C 175.6 0.2 1 659 50 TYR CA C 62.1 0.2 1 660 50 TYR CB C 38.6 0.2 1 662 50 TYR CD1 C 131.6 0.2 3 663 50 TYR CD2 C 131.6 0.2 3 664 50 TYR CE1 C 117.7 0.2 3 665 50 TYR CE2 C 117.7 0.2 3 667 50 TYR N N 115.1 0.2 1 668 51 PHE H H 8.26 0.02 1 669 51 PHE HA H 3.69 0.02 1 670 51 PHE HB2 H 2.96 0.02 2 671 51 PHE HB3 H 3.02 0.02 2 672 51 PHE HD1 H 7.01 0.02 3 673 51 PHE HD2 H 7.01 0.02 3 674 51 PHE HE1 H 7.57 0.02 3 675 51 PHE HE2 H 7.57 0.02 3 676 51 PHE HZ H 7.85 0.02 1 677 51 PHE C C 175.5 0.2 1 678 51 PHE CA C 61.7 0.2 1 679 51 PHE CB C 39.9 0.2 1 681 51 PHE CD1 C 131.8 0.2 3 682 51 PHE CD2 C 131.8 0.2 3 683 51 PHE CE1 C 131.6 0.2 3 684 51 PHE CE2 C 131.6 0.2 3 685 51 PHE CZ C 130.9 0.2 1 686 51 PHE N N 117.9 0.2 1 687 52 GLN H H 8.33 0.02 1 688 52 GLN HA H 3.61 0.02 1 689 52 GLN HB2 H 1.75 0.02 2 690 52 GLN HB3 H 2.07 0.02 2 691 52 GLN HG2 H 2.07 0.02 2 692 52 GLN HG3 H 2.07 0.02 2 693 52 GLN HE21 H 9.13 0.02 1 694 52 GLN HE22 H 6.82 0.02 1 695 52 GLN C C 178.5 0.2 1 696 52 GLN CA C 57.2 0.2 1 697 52 GLN CB C 27.7 0.2 1 698 52 GLN CG C 32.4 0.2 1 700 52 GLN N N 111.7 0.2 1 701 52 GLN NE2 N 112.4 0.2 1 702 53 ALA H H 7.71 0.02 1 703 53 ALA HA H 4.16 0.02 1 704 53 ALA HB H 1.57 0.02 1 705 53 ALA C C 179.1 0.2 1 706 53 ALA CA C 54.8 0.2 1 707 53 ALA CB C 20.0 0.2 1 708 53 ALA N N 115.5 0.2 1 709 54 GLN H H 7.10 0.02 1 710 54 GLN HA H 3.68 0.02 1 711 54 GLN HB2 H 1.77 0.02 2 712 54 GLN HB3 H 2.16 0.02 2 713 54 GLN HG2 H 1.62 0.02 2 714 54 GLN HG3 H 1.89 0.02 2 715 54 GLN HE21 H 6.79 0.02 2 716 54 GLN HE22 H 5.47 0.02 2 717 54 GLN C C 175.4 0.2 1 718 54 GLN CA C 56.1 0.2 1 719 54 GLN CB C 27.6 0.2 1 720 54 GLN CG C 32.9 0.2 1 721 54 GLN CD C 179.7 0.2 1 722 54 GLN N N 110.1 0.2 1 723 54 GLN NE2 N 114.6 0.2 1 724 55 LYS H H 6.49 0.02 1 725 55 LYS HA H 2.85 0.02 1 726 55 LYS HB2 H -0.29 0.02 2 727 55 LYS HB3 H 0.37 0.02 2 728 55 LYS HG2 H -0.28 0.02 2 729 55 LYS HG3 H -0.86 0.02 2 730 55 LYS HD2 H 0.70 0.02 2 731 55 LYS HD3 H 1.27 0.02 2 732 55 LYS HE2 H 2.32 0.02 2 733 55 LYS HE3 H 2.48 0.02 2 735 55 LYS C C 175.5 0.2 1 736 55 LYS CA C 57.9 0.2 1 737 55 LYS CB C 31.4 0.2 1 738 55 LYS CG C 22.9 0.2 1 739 55 LYS CD C 29.4 0.2 1 740 55 LYS CE C 42.3 0.2 1 741 55 LYS N N 116.6 0.2 1 743 56 PHE H H 7.19 0.02 1 744 56 PHE HA H 4.74 0.02 1 745 56 PHE HB2 H 2.84 0.02 2 746 56 PHE HB3 H 3.48 0.02 2 747 56 PHE HD1 H 7.24 0.02 3 748 56 PHE HD2 H 7.24 0.02 3 749 56 PHE HE1 H 7.29 0.02 3 750 56 PHE HE2 H 7.29 0.02 3 751 56 PHE HZ H 7.42 0.02 1 752 56 PHE C C 175.1 0.2 1 753 56 PHE CA C 58.2 0.2 1 754 56 PHE CB C 40.8 0.2 1 756 56 PHE CD1 C 132.6 0.2 3 757 56 PHE CD2 C 132.6 0.2 3 758 56 PHE CE1 C 132.6 0.2 3 759 56 PHE CE2 C 132.6 0.2 3 760 56 PHE CZ C 130.0 0.2 1 761 56 PHE N N 114.7 0.2 1 762 57 LEU H H 8.43 0.02 1 763 57 LEU HA H 4.20 0.02 1 764 57 LEU HB2 H 1.64 0.02 2 765 57 LEU HB3 H 1.64 0.02 2 766 57 LEU HG H 1.52 0.02 1 767 57 LEU HD1 H 0.98 0.02 1 768 57 LEU HD2 H 0.93 0.02 1 769 57 LEU C C 177.0 0.2 1 770 57 LEU CA C 55.8 0.2 1 771 57 LEU CB C 43.0 0.2 1 772 57 LEU CG C 27.3 0.2 1 773 57 LEU CD1 C 25.4 0.2 1 774 57 LEU CD2 C 23.5 0.2 1 775 57 LEU N N 122.2 0.2 1 776 58 ASP H H 7.83 0.02 1 777 58 ASP HA H 4.70 0.02 1 778 58 ASP HB2 H 2.72 0.02 2 779 58 ASP HB3 H 2.82 0.02 2 780 58 ASP C C 176.3 0.2 1 781 58 ASP CA C 54.0 0.2 1 782 58 ASP CB C 42.2 0.2 1 784 58 ASP N N 118.1 0.2 1 785 59 GLU H H 9.18 0.02 1 786 59 GLU HA H 3.92 0.02 1 787 59 GLU HB2 H 2.12 0.02 2 788 59 GLU HB3 H 2.18 0.02 2 789 59 GLU HG2 H 2.41 0.02 2 790 59 GLU HG3 H 2.41 0.02 2 791 59 GLU C C 178.2 0.2 1 792 59 GLU CA C 59.7 0.2 1 793 59 GLU CB C 29.7 0.2 1 794 59 GLU CG C 35.9 0.2 1 796 59 GLU N N 129.1 0.2 1 797 60 LYS H H 8.44 0.02 1 798 60 LYS HA H 4.05 0.02 1 799 60 LYS HB2 H 1.87 0.02 2 800 60 LYS HB3 H 2.00 0.02 2 801 60 LYS HG2 H 1.87 0.02 2 802 60 LYS HG3 H 2.00 0.02 2 803 60 LYS HD2 H 1.72 0.02 2 804 60 LYS HD3 H 1.72 0.02 2 805 60 LYS HE2 H 3.02 0.02 2 806 60 LYS HE3 H 3.02 0.02 2 808 60 LYS C C 179.5 0.2 1 809 60 LYS CA C 59.6 0.2 1 810 60 LYS CB C 31.6 0.2 1 811 60 LYS CG C 25.1 0.2 1 812 60 LYS CD C 42.0 0.2 1 814 60 LYS N N 118.3 0.2 1 816 61 TYR H H 7.57 0.02 1 817 61 TYR HA H 4.45 0.02 1 818 61 TYR HB2 H 2.64 0.02 2 819 61 TYR HB3 H 3.04 0.02 2 820 61 TYR HD1 H 6.59 0.02 3 821 61 TYR HD2 H 6.59 0.02 3 822 61 TYR HE1 H 6.07 0.02 3 823 61 TYR HE2 H 6.07 0.02 3 825 61 TYR C C 177.8 0.2 1 826 61 TYR CA C 60.4 0.2 1 827 61 TYR CB C 38.5 0.2 1 829 61 TYR CD1 C 132.6 0.2 3 830 61 TYR CD2 C 132.6 0.2 3 831 61 TYR CE1 C 117.7 0.2 3 832 61 TYR CE2 C 117.7 0.2 3 834 61 TYR N N 120.8 0.2 1 835 62 ARG H H 7.91 0.02 1 836 62 ARG HA H 3.92 0.02 1 837 62 ARG HB2 H 1.88 0.02 2 838 62 ARG HB3 H 2.39 0.02 2 839 62 ARG HG2 H 2.13 0.02 2 840 62 ARG HG3 H 2.13 0.02 2 841 62 ARG HD2 H 3.05 0.02 2 842 62 ARG HD3 H 3.45 0.02 2 848 62 ARG C C 178.5 0.2 1 849 62 ARG CA C 61.6 0.2 1 850 62 ARG CB C 31.1 0.2 1 851 62 ARG CG C 27.4 0.2 1 852 62 ARG CD C 44.9 0.2 1 854 62 ARG N N 116.5 0.2 1 858 63 GLU H H 7.86 0.02 1 859 63 GLU HA H 4.15 0.02 1 860 63 GLU HB2 H 1.95 0.02 2 861 63 GLU HB3 H 2.13 0.02 2 862 63 GLU HG2 H 2.28 0.02 2 863 63 GLU HG3 H 2.46 0.02 2 864 63 GLU C C 178.2 0.2 1 865 63 GLU CA C 57.7 0.2 1 866 63 GLU CB C 30.0 0.2 1 867 63 GLU CG C 36.3 0.2 1 869 63 GLU N N 116.6 0.2 1 870 64 GLU H H 7.62 0.02 1 871 64 GLU HA H 3.86 0.02 1 872 64 GLU HB2 H 1.88 0.02 2 873 64 GLU HB3 H 2.10 0.02 2 874 64 GLU HG2 H 2.18 0.02 2 875 64 GLU HG3 H 2.46 0.02 2 876 64 GLU C C 179.6 0.2 1 877 64 GLU CA C 59.6 0.2 1 878 64 GLU CB C 29.1 0.2 1 879 64 GLU CG C 36.7 0.2 1 881 64 GLU N N 120.2 0.2 1 882 65 ILE H H 7.59 0.02 1 883 65 ILE HA H 3.62 0.02 1 884 65 ILE HB H 2.00 0.02 1 885 65 ILE HG12 H 0.77 0.02 2 886 65 ILE HG13 H 1.30 0.02 2 887 65 ILE HG2 H 1.04 0.02 1 888 65 ILE HD1 H 0.54 0.02 1 889 65 ILE C C 177.0 0.2 1 890 65 ILE CA C 65.3 0.2 1 891 65 ILE CB C 38.0 0.2 1 892 65 ILE CG1 C 29.0 0.2 1 893 65 ILE CG2 C 17.9 0.2 1 894 65 ILE CD1 C 14.3 0.2 1 895 65 ILE N N 118.7 0.2 1 896 66 ARG H H 8.08 0.02 1 897 66 ARG HA H 3.68 0.02 1 898 66 ARG HB2 H 1.34 0.02 2 899 66 ARG HB3 H 1.76 0.02 2 900 66 ARG HG2 H 0.52 0.02 2 901 66 ARG HG3 H 1.38 0.02 2 902 66 ARG HD2 H 0.89 0.02 2 903 66 ARG HD3 H 1.94 0.02 2 904 66 ARG HE H 8.66 0.02 1 909 66 ARG C C 176.0 0.2 1 910 66 ARG CA C 60.5 0.2 1 911 66 ARG CB C 31.3 0.2 1 912 66 ARG CG C 28.9 0.2 1 913 66 ARG CD C 41.8 0.2 1 914 66 ARG CZ C 159.4 0.2 1 915 66 ARG N N 118.5 0.2 1 916 66 ARG NE N 82.2 0.2 1 919 67 ARG H H 7.19 0.02 1 920 67 ARG HA H 4.00 0.02 1 921 67 ARG HB2 H 1.76 0.02 2 922 67 ARG HB3 H 1.91 0.02 2 923 67 ARG HG2 H 1.59 0.02 2 924 67 ARG HG3 H 1.76 0.02 2 925 67 ARG HD2 H 3.12 0.02 2 926 67 ARG HD3 H 3.12 0.02 2 927 67 ARG HE H 7.34 0.02 1 932 67 ARG C C 177.4 0.2 1 933 67 ARG CA C 56.8 0.2 1 934 67 ARG CB C 31.3 0.2 1 935 67 ARG CG C 27.8 0.2 1 936 67 ARG CD C 43.6 0.2 1 937 67 ARG CZ C 159.5 0.2 1 938 67 ARG N N 110.1 0.2 1 939 67 ARG NE N 85.2 0.2 1 942 68 VAL H H 7.50 0.02 1 943 68 VAL HA H 4.41 0.02 1 944 68 VAL HB H 2.30 0.02 1 945 68 VAL HG1 H 1.13 0.02 1 946 68 VAL HG2 H 1.18 0.02 1 947 68 VAL C C 177.2 0.2 1 948 68 VAL CA C 61.5 0.2 1 949 68 VAL CB C 32.5 0.2 1 950 68 VAL CG1 C 21.6 0.2 1 951 68 VAL CG2 C 20.0 0.2 1 952 68 VAL N N 118.6 0.2 1 953 69 SER H H 8.63 0.02 1 954 69 SER HA H 4.23 0.02 1 955 69 SER HB2 H 3.94 0.02 2 956 69 SER HB3 H 3.94 0.02 2 958 69 SER C C 175.7 0.2 1 959 69 SER CA C 61.4 0.2 1 960 69 SER CB C 63.3 0.2 1 961 69 SER N N 119.8 0.2 1 962 70 SER H H 7.88 0.02 1 963 70 SER HA H 5.15 0.02 1 964 70 SER HB2 H 3.82 0.02 2 965 70 SER HB3 H 4.17 0.02 2 968 70 SER CA C 54.3 0.2 1 969 70 SER CB C 64.3 0.2 1 970 70 SER N N 114.4 0.2 1 971 71 PRO HA H 3.81 0.02 1 972 71 PRO HB2 H 1.46 0.02 2 973 71 PRO HB3 H 2.41 0.02 2 974 71 PRO HG2 H 2.12 0.02 2 975 71 PRO HG3 H 2.85 0.02 2 976 71 PRO HD2 H 4.04 0.02 2 977 71 PRO HD3 H 4.37 0.02 2 978 71 PRO C C 176.6 0.2 1 979 71 PRO CA C 64.2 0.2 1 980 71 PRO CB C 30.8 0.2 1 981 71 PRO CG C 27.1 0.2 1 982 71 PRO CD C 51.1 0.2 1 984 72 MET H H 7.49 0.02 1 985 72 MET HA H 4.12 0.02 1 986 72 MET HB2 H 2.03 0.02 2 987 72 MET HB3 H 2.03 0.02 2 988 72 MET HG2 H 2.54 0.02 2 989 72 MET HG3 H 2.54 0.02 2 990 72 MET HE H 2.07 0.02 1 991 72 MET C C 179.2 0.2 1 992 72 MET CA C 58.8 0.2 1 993 72 MET CB C 32.0 0.2 1 994 72 MET CG C 32.9 0.2 1 995 72 MET CE C 17.3 0.2 1 996 72 MET N N 118.8 0.2 1 997 73 VAL H H 7.13 0.02 1 998 73 VAL HA H 3.59 0.02 1 999 73 VAL HB H 2.12 0.02 1 1000 73 VAL HG1 H 1.06 0.02 2 1001 73 VAL HG2 H 1.06 0.02 2 1002 73 VAL C C 177.9 0.2 1 1003 73 VAL CA C 65.9 0.2 1 1004 73 VAL CB C 31.4 0.2 1 1005 73 VAL CG1 C 22.4 0.2 2 1006 73 VAL CG2 C 22.4 0.2 2 1007 73 VAL N N 121.8 0.2 1 1008 74 ALA H H 7.59 0.02 1 1009 74 ALA HA H 3.78 0.02 1 1010 74 ALA HB H 0.70 0.02 1 1011 74 ALA C C 178.8 0.2 1 1012 74 ALA CA C 55.6 0.2 1 1013 74 ALA CB C 16.8 0.2 1 1014 74 ALA N N 122.7 0.2 1 1015 75 ALA H H 8.06 0.02 1 1016 75 ALA HA H 3.94 0.02 1 1017 75 ALA HB H 1.64 0.02 1 1018 75 ALA C C 179.8 0.2 1 1019 75 ALA CA C 55.3 0.2 1 1020 75 ALA CB C 17.7 0.2 1 1021 75 ALA N N 117.8 0.2 1 1022 76 ARG H H 7.52 0.02 1 1023 76 ARG HA H 4.01 0.02 1 1024 76 ARG HB2 H 1.99 0.02 2 1025 76 ARG HB3 H 2.07 0.02 2 1026 76 ARG HG2 H 1.65 0.02 2 1027 76 ARG HG3 H 1.81 0.02 2 1028 76 ARG HD2 H 3.24 0.02 2 1029 76 ARG HD3 H 3.24 0.02 2 1036 76 ARG CA C 59.8 0.2 1 1037 76 ARG CB C 29.9 0.2 1 1038 76 ARG CG C 27.2 0.2 1 1039 76 ARG CD C 43.8 0.2 1 1041 76 ARG N N 119.3 0.2 1 1045 77 MET H H 8.81 0.02 1 1046 77 MET HA H 4.02 0.02 1 1047 77 MET HB2 H 2.11 0.02 2 1048 77 MET HB3 H 2.11 0.02 2 1049 77 MET HG2 H 2.41 0.02 2 1050 77 MET HG3 H 2.81 0.02 2 1051 77 MET HE H 1.79 0.02 1 1052 77 MET C C 180.2 0.2 1 1053 77 MET CA C 59.6 0.2 1 1054 77 MET CB C 33.4 0.2 1 1055 77 MET CG C 32.8 0.2 1 1056 77 MET CE C 17.2 0.2 1 1057 77 MET N N 121.5 0.2 1 1058 78 GLY H H 8.40 0.02 1 1059 78 GLY HA2 H 4.31 0.02 2 1060 78 GLY HA3 H 4.60 0.02 2 1061 78 GLY C C 174.5 0.2 1 1062 78 GLY CA C 45.6 0.2 1 1063 78 GLY N N 107.6 0.2 1 1064 79 ARG H H 7.57 0.02 1 1065 79 ARG HA H 4.58 0.02 1 1066 79 ARG HB2 H 1.93 0.02 2 1067 79 ARG HB3 H 2.12 0.02 2 1068 79 ARG HG2 H 1.79 0.02 2 1069 79 ARG HG3 H 1.99 0.02 2 1070 79 ARG HD2 H 3.30 0.02 2 1071 79 ARG HD3 H 3.30 0.02 2 1077 79 ARG C C 176.0 0.2 1 1078 79 ARG CA C 55.7 0.2 1 1079 79 ARG CB C 30.9 0.2 1 1080 79 ARG CG C 27.9 0.2 1 1081 79 ARG CD C 44.0 0.2 1 1083 79 ARG N N 118.4 0.2 1 1087 80 ASP H H 7.14 0.02 1 1088 80 ASP HA H 4.48 0.02 1 1089 80 ASP HB2 H 2.71 0.02 2 1090 80 ASP HB3 H 2.87 0.02 2 1091 80 ASP C C 177.0 0.2 1 1092 80 ASP CA C 55.2 0.2 1 1093 80 ASP CB C 41.4 0.2 1 1095 80 ASP N N 120.0 0.2 1 1096 81 ARG H H 8.63 0.02 1 1097 81 ARG HA H 4.50 0.02 1 1098 81 ARG HB2 H 1.82 0.02 2 1099 81 ARG HB3 H 2.16 0.02 2 1100 81 ARG HG2 H 1.76 0.02 2 1101 81 ARG HG3 H 1.86 0.02 2 1102 81 ARG HD2 H 3.26 0.02 2 1103 81 ARG HD3 H 3.26 0.02 2 1109 81 ARG C C 176.9 0.2 1 1110 81 ARG CA C 56.4 0.2 1 1111 81 ARG CB C 29.7 0.2 1 1112 81 ARG CG C 27.4 0.2 1 1113 81 ARG CD C 43.2 0.2 1 1115 81 ARG N N 125.7 0.2 1 1119 82 SER H H 9.01 0.02 1 1120 82 SER HA H 4.41 0.02 1 1121 82 SER HB2 H 3.87 0.02 2 1122 82 SER HB3 H 4.00 0.02 2 1124 82 SER C C 174.2 0.2 1 1125 82 SER CA C 59.7 0.2 1 1126 82 SER CB C 64.0 0.2 1 1127 82 SER N N 116.6 0.2 1 1128 83 LYS H H 7.07 0.02 1 1129 83 LYS HA H 4.60 0.02 1 1130 83 LYS HB2 H 1.34 0.02 2 1131 83 LYS HB3 H 1.56 0.02 2 1132 83 LYS HG2 H 0.39 0.02 2 1133 83 LYS HG3 H 0.76 0.02 2 1134 83 LYS HD2 H 0.75 0.02 2 1135 83 LYS HD3 H 1.01 0.02 2 1136 83 LYS HE2 H 2.27 0.02 2 1137 83 LYS HE3 H 2.36 0.02 2 1140 83 LYS CA C 52.1 0.2 1 1141 83 LYS CB C 33.0 0.2 1 1142 83 LYS CG C 23.6 0.2 1 1143 83 LYS CD C 27.8 0.2 1 1144 83 LYS CE C 42.1 0.2 1 1145 83 LYS N N 123.3 0.2 1 1147 84 PRO HA H 4.42 0.02 1 1148 84 PRO HB2 H 1.99 0.02 2 1149 84 PRO HB3 H 2.31 0.02 2 1150 84 PRO HG2 H 2.13 0.02 2 1151 84 PRO HG3 H 2.22 0.02 2 1152 84 PRO HD2 H 3.65 0.02 2 1153 84 PRO HD3 H 3.88 0.02 2 1155 84 PRO CA C 63.5 0.2 1 1156 84 PRO CB C 32.3 0.2 1 1157 84 PRO CG C 27.8 0.2 1 1158 84 PRO CD C 50.5 0.2 1 1161 85 LEU HA H 4.52 0.02 1 1162 85 LEU HB2 H 1.42 0.02 2 1163 85 LEU HB3 H 1.55 0.02 2 1164 85 LEU HG H 1.66 0.02 1 1165 85 LEU HD1 H 0.72 0.02 1 1166 85 LEU HD2 H 0.42 0.02 1 1168 85 LEU CA C 54.0 0.2 1 1169 85 LEU CB C 44.2 0.2 1 1170 85 LEU CG C 26.9 0.2 1 1171 85 LEU CD1 C 25.1 0.2 1 1172 85 LEU CD2 C 24.7 0.2 1 1174 86 ARG H H 8.43 0.02 1 1175 86 ARG HA H 4.22 0.02 1 1176 86 ARG HB2 H 1.84 0.02 2 1177 86 ARG HB3 H 1.84 0.02 2 1178 86 ARG HG2 H 1.65 0.02 2 1179 86 ARG HG3 H 1.83 0.02 2 1180 86 ARG HD2 H 3.22 0.02 2 1181 86 ARG HD3 H 3.36 0.02 2 1182 86 ARG HE H 7.43 0.02 1 1187 86 ARG C C 177.7 0.2 1 1188 86 ARG CA C 56.6 0.2 1 1189 86 ARG CB C 31.3 0.2 1 1190 86 ARG CG C 26.6 0.2 1 1191 86 ARG CD C 44.9 0.2 1 1192 86 ARG CZ C 160.0 0.2 1 1193 86 ARG N N 121.3 0.2 1 1194 86 ARG NE N 83.8 0.2 1 1197 87 LYS H H 8.91 0.02 1 1198 87 LYS HA H 4.16 0.02 1 1199 87 LYS HB2 H 1.92 0.02 2 1200 87 LYS HB3 H 1.92 0.02 2 1201 87 LYS HG2 H 1.59 0.02 2 1202 87 LYS HG3 H 1.64 0.02 2 1203 87 LYS HD2 H 1.78 0.02 2 1204 87 LYS HD3 H 1.78 0.02 2 1205 87 LYS HE2 H 3.09 0.02 2 1206 87 LYS HE3 H 3.09 0.02 2 1208 87 LYS C C 177.1 0.2 1 1209 87 LYS CA C 58.3 0.2 1 1210 87 LYS CB C 32.5 0.2 1 1211 87 LYS CG C 25.2 0.2 1 1212 87 LYS CD C 29.0 0.2 1 1213 87 LYS CE C 42.0 0.2 1 1214 87 LYS N N 125.2 0.2 1 1216 88 ASN H H 8.51 0.02 1 1217 88 ASN HA H 4.96 0.02 1 1218 88 ASN HB2 H 2.87 0.02 2 1219 88 ASN HB3 H 3.12 0.02 2 1220 88 ASN HD21 H 7.64 0.02 1 1221 88 ASN HD22 H 6.88 0.02 1 1222 88 ASN C C 176.4 0.2 1 1223 88 ASN CA C 52.4 0.2 1 1224 88 ASN CB C 37.3 0.2 1 1225 88 ASN CG C 1.78 0.2 1 1226 88 ASN N N 115.3 0.2 1 1227 88 ASN ND2 N 111.4 0.2 1 1228 89 TRP H H 7.67 0.02 1 1229 89 TRP HA H 4.45 0.02 1 1230 89 TRP HB2 H 3.11 0.02 2 1231 89 TRP HB3 H 3.46 0.02 2 1232 89 TRP HD1 H 7.20 0.02 1 1233 89 TRP HE1 H 10.14 0.02 1 1234 89 TRP HE3 H 7.05 0.02 1 1235 89 TRP HZ2 H 6.85 0.02 1 1236 89 TRP HZ3 H 6.46 0.02 1 1237 89 TRP HH2 H 6.44 0.02 1 1238 89 TRP C C 176.7 0.2 1 1239 89 TRP CA C 59.8 0.2 1 1240 89 TRP CB C 30.5 0.2 1 1242 89 TRP CD1 C 126.8 0.2 1 1245 89 TRP CE3 C 120.4 0.2 1 1246 89 TRP CZ2 C 115.9 0.2 1 1247 89 TRP CZ3 C 120.7 0.2 1 1248 89 TRP CH2 C 124.4 0.2 1 1249 89 TRP N N 119.9 0.2 1 1250 89 TRP NE1 N 128.2 0.2 1 1251 90 GLU H H 8.82 0.02 1 1252 90 GLU HA H 3.64 0.02 1 1253 90 GLU HB2 H 1.95 0.02 2 1254 90 GLU HB3 H 2.05 0.02 2 1255 90 GLU HG2 H 2.39 0.02 2 1256 90 GLU HG3 H 2.39 0.02 2 1257 90 GLU C C 178.5 0.2 1 1258 90 GLU CA C 59.3 0.2 1 1259 90 GLU CB C 28.9 0.2 1 1260 90 GLU CG C 36.0 0.2 1 1262 90 GLU N N 113.5 0.2 1 1263 91 SER H H 7.59 0.02 1 1264 91 SER HA H 4.45 0.02 1 1265 91 SER HB2 H 3.98 0.02 2 1266 91 SER HB3 H 3.98 0.02 2 1268 91 SER C C 175.7 0.2 1 1269 91 SER CA C 60.1 0.2 1 1270 91 SER CB C 63.8 0.2 1 1271 91 SER N N 111.0 0.2 1 1272 92 VAL H H 7.43 0.02 1 1273 92 VAL HA H 4.62 0.02 1 1274 92 VAL HB H 2.33 0.02 1 1275 92 VAL HG1 H 0.86 0.02 1 1276 92 VAL HG2 H 0.80 0.02 1 1277 92 VAL C C 177.8 0.2 1 1278 92 VAL CA C 61.6 0.2 1 1279 92 VAL CB C 33.4 0.2 1 1280 92 VAL CG1 C 21.0 0.2 1 1281 92 VAL CG2 C 18.9 0.2 1 1282 92 VAL N N 113.7 0.2 1 1283 93 LYS H H 7.63 0.02 1 1284 93 LYS HA H 3.11 0.02 1 1285 93 LYS HB2 H 0.30 0.02 2 1286 93 LYS HB3 H 1.42 0.02 2 1287 93 LYS HG2 H 1.14 0.02 2 1288 93 LYS HG3 H 1.39 0.02 2 1289 93 LYS HD2 H 1.23 0.02 2 1290 93 LYS HD3 H 1.71 0.02 2 1291 93 LYS HE2 H 2.33 0.02 2 1292 93 LYS HE3 H 2.62 0.02 2 1294 93 LYS C C 177.7 0.2 1 1295 93 LYS CA C 60.0 0.2 1 1296 93 LYS CB C 31.6 0.2 1 1297 93 LYS CG C 23.8 0.2 1 1298 93 LYS CD C 30.4 0.2 1 1299 93 LYS CE C 42.0 0.2 1 1300 93 LYS N N 121.9 0.2 1 1302 94 GLU H H 8.52 0.02 1 1303 94 GLU HA H 4.41 0.02 1 1304 94 GLU HB2 H 2.03 0.02 2 1305 94 GLU HB3 H 2.41 0.02 2 1306 94 GLU HG2 H 2.32 0.02 2 1307 94 GLU HG3 H 2.73 0.02 2 1308 94 GLU C C 178.3 0.2 1 1309 94 GLU CA C 61.6 0.2 1 1310 94 GLU CB C 28.2 0.2 1 1311 94 GLU CG C 37.9 0.2 1 1313 94 GLU N N 118.5 0.2 1 1314 95 GLN H H 7.84 0.02 1 1315 95 GLN HA H 4.24 0.02 1 1316 95 GLN HB2 H 2.29 0.02 2 1317 95 GLN HB3 H 2.36 0.02 2 1318 95 GLN HG2 H 2.52 0.02 2 1319 95 GLN HG3 H 2.52 0.02 2 1320 95 GLN HE21 H 7.55 0.02 2 1321 95 GLN HE22 H 6.92 0.02 2 1322 95 GLN C C 179.6 0.2 1 1323 95 GLN CA C 59.0 0.2 1 1324 95 GLN CB C 27.9 0.2 1 1325 95 GLN CG C 33.5 0.2 1 1327 95 GLN N N 121.3 0.2 1 1328 95 GLN NE2 N 111.6 0.2 1 1329 96 VAL H H 8.20 0.02 1 1330 96 VAL HA H 3.84 0.02 1 1331 96 VAL HB H 2.32 0.02 1 1332 96 VAL HG1 H 1.16 0.02 1 1333 96 VAL HG2 H 1.11 0.02 1 1335 96 VAL CA C 66.7 0.2 1 1336 96 VAL CB C 31.5 0.2 1 1337 96 VAL CG1 C 22.9 0.2 1 1338 96 VAL CG2 C 21.9 0.2 1 1339 96 VAL N N 121.4 0.2 1 1340 97 MET H H 8.41 0.02 1 1341 97 MET HA H 4.50 0.02 1 1342 97 MET HB2 H 2.14 0.02 2 1343 97 MET HB3 H 2.24 0.02 2 1346 97 MET HE H -0.21 0.02 1 1347 97 MET C C 178.2 0.2 1 1348 97 MET CA C 57.6 0.2 1 1349 97 MET CB C 31.6 0.2 1 1351 97 MET CE C 13.9 0.2 1 1352 97 MET N N 118.8 0.2 1 1353 98 ARG H H 8.85 0.02 1 1354 98 ARG HA H 3.83 0.02 1 1355 98 ARG HB2 H 1.87 0.02 2 1356 98 ARG HB3 H 2.09 0.02 2 1357 98 ARG HG2 H 1.82 0.02 2 1358 98 ARG HG3 H 2.18 0.02 2 1359 98 ARG HD2 H 3.21 0.02 2 1360 98 ARG HD3 H 3.30 0.02 2 1361 98 ARG HE H 8.77 0.02 1 1366 98 ARG C C 179.0 0.2 1 1367 98 ARG CA C 61.4 0.2 1 1368 98 ARG CB C 31.1 0.2 1 1369 98 ARG CG C 30.0 0.2 1 1370 98 ARG CD C 43.7 0.2 1 1371 98 ARG CZ C 159.9 0.2 1 1372 98 ARG N N 118.2 0.2 1 1373 98 ARG NE N 87.6 0.2 1 1376 99 LYS H H 7.81 0.02 1 1377 99 LYS HA H 4.05 0.02 1 1378 99 LYS HB2 H 2.05 0.02 2 1379 99 LYS HB3 H 2.14 0.02 2 1380 99 LYS HG2 H 1.21 0.02 2 1381 99 LYS HG3 H 1.55 0.02 2 1382 99 LYS HD2 H 1.80 0.02 2 1383 99 LYS HD3 H 1.80 0.02 2 1384 99 LYS HE2 H 2.97 0.02 2 1385 99 LYS HE3 H 2.97 0.02 2 1387 99 LYS C C 178.8 0.2 1 1388 99 LYS CA C 59.8 0.2 1 1389 99 LYS CB C 33.0 0.2 1 1390 99 LYS CG C 24.9 0.2 1 1391 99 LYS CD C 30.0 0.2 1 1392 99 LYS CE C 42.0 0.2 1 1393 99 LYS N N 120.3 0.2 1 1395 100 ALA H H 8.26 0.02 1 1396 100 ALA HA H 3.65 0.02 1 1397 100 ALA HB H 1.62 0.02 1 1398 100 ALA C C 178.7 0.2 1 1399 100 ALA CA C 55.0 0.2 1 1400 100 ALA CB C 18.7 0.2 1 1401 100 ALA N N 122.4 0.2 1 1402 101 LEU H H 8.66 0.02 1 1403 101 LEU HA H 4.13 0.02 1 1404 101 LEU HB2 H 1.37 0.02 2 1405 101 LEU HB3 H 1.96 0.02 2 1406 101 LEU HG H 2.04 0.02 1 1407 101 LEU HD1 H 0.76 0.02 1 1408 101 LEU HD2 H 1.02 0.02 1 1409 101 LEU C C 178.7 0.2 1 1410 101 LEU CA C 57.5 0.2 1 1411 101 LEU CB C 42.8 0.2 1 1412 101 LEU CG C 26.0 0.2 1 1413 101 LEU CD1 C 26.6 0.2 1 1414 101 LEU CD2 C 23.3 0.2 1 1415 101 LEU N N 114.8 0.2 1 1416 102 ARG H H 8.36 0.02 1 1417 102 ARG HA H 3.95 0.02 1 1418 102 ARG HB2 H 1.87 0.02 2 1419 102 ARG HB3 H 2.00 0.02 2 1420 102 ARG HG2 H 1.49 0.02 2 1421 102 ARG HG3 H 1.66 0.02 2 1422 102 ARG HD2 H 3.07 0.02 2 1423 102 ARG HD3 H 3.27 0.02 2 1424 102 ARG HE H 7.61 0.02 1 1429 102 ARG C C 177.4 0.2 1 1430 102 ARG CA C 60.2 0.2 1 1431 102 ARG CB C 29.1 0.2 1 1432 102 ARG CG C 27.9 0.2 1 1433 102 ARG CD C 43.1 0.2 1 1434 102 ARG CZ C 159.8 0.2 1 1435 102 ARG N N 118.8 0.2 1 1436 102 ARG NE N 84.1 0.2 1 1439 103 ALA H H 7.44 0.02 1 1440 103 ALA HA H 4.13 0.02 1 1441 103 ALA HB H 1.31 0.02 1 1442 103 ALA C C 178.1 0.2 1 1443 103 ALA CA C 55.3 0.2 1 1444 103 ALA CB C 18.9 0.2 1 1445 103 ALA N N 118.9 0.2 1 1446 104 LYS H H 7.72 0.02 1 1447 104 LYS HA H 3.70 0.02 1 1448 104 LYS HB2 H 1.79 0.02 2 1449 104 LYS HB3 H 2.06 0.02 2 1450 104 LYS HG2 H -0.08 0.02 2 1451 104 LYS HG3 H 0.78 0.02 2 1452 104 LYS HD2 H 2.28 0.02 2 1453 104 LYS HD3 H 2.28 0.02 2 1457 104 LYS C C 176.5 0.2 1 1458 104 LYS CA C 60.5 0.2 1 1459 104 LYS CB C 33.7 0.2 1 1460 104 LYS CG C 25.0 0.2 1 1463 104 LYS N N 116.7 0.2 1 1465 105 PHE H H 8.03 0.02 1 1466 105 PHE HA H 4.12 0.02 1 1467 105 PHE HB2 H 2.70 0.02 2 1468 105 PHE HB3 H 2.77 0.02 2 1469 105 PHE HD1 H 7.36 0.02 3 1470 105 PHE HD2 H 7.36 0.02 3 1471 105 PHE HE1 H 7.12 0.02 3 1472 105 PHE HE2 H 7.12 0.02 3 1473 105 PHE HZ H 6.88 0.02 1 1474 105 PHE C C 176.9 0.2 1 1475 105 PHE CA C 61.1 0.2 1 1476 105 PHE CB C 39.5 0.2 1 1478 105 PHE CD1 C 132.9 0.2 3 1479 105 PHE CD2 C 132.9 0.2 3 1480 105 PHE CE1 C 131.0 0.2 3 1481 105 PHE CE2 C 131.0 0.2 3 1482 105 PHE CZ C 128.1 0.2 1 1483 105 PHE N N 110.5 0.2 1 1484 106 GLU H H 8.73 0.02 1 1485 106 GLU HA H 4.22 0.02 1 1486 106 GLU HB2 H 1.96 0.02 2 1487 106 GLU HB3 H 2.32 0.02 2 1488 106 GLU HG2 H 2.22 0.02 2 1489 106 GLU HG3 H 2.61 0.02 2 1490 106 GLU C C 179.8 0.2 1 1491 106 GLU CA C 59.0 0.2 1 1492 106 GLU CB C 30.6 0.2 1 1493 106 GLU CG C 37.7 0.2 1 1495 106 GLU N N 117.0 0.2 1 1496 107 GLN H H 7.80 0.02 1 1497 107 GLN HA H 4.08 0.02 1 1498 107 GLN HB2 H 1.79 0.02 2 1499 107 GLN HB3 H 1.79 0.02 2 1500 107 GLN HG2 H 2.45 0.02 2 1501 107 GLN HG3 H 2.75 0.02 2 1502 107 GLN HE21 H 7.98 0.02 2 1503 107 GLN HE22 H 7.72 0.02 2 1504 107 GLN C C 175.6 0.2 1 1505 107 GLN CA C 57.4 0.2 1 1506 107 GLN CB C 27.6 0.2 1 1507 107 GLN CG C 35.2 0.2 1 1508 107 GLN CD C 180.8 0.2 1 1509 107 GLN N N 114.3 0.2 1 1510 107 GLN NE2 N 110.5 0.2 1 1511 108 HIS H H 6.63 0.02 1 1512 108 HIS HA H 5.13 0.02 1 1513 108 HIS HB2 H 2.69 0.02 2 1514 108 HIS HB3 H 2.83 0.02 2 1516 108 HIS HD2 H 7.47 0.02 1 1517 108 HIS HE1 H 8.41 0.02 1 1519 108 HIS C C 174.9 0.2 1 1520 108 HIS CA C 54.1 0.2 1 1521 108 HIS CB C 30.6 0.2 1 1523 108 HIS CD2 C 119.3 0.2 1 1524 108 HIS CE1 C 138.2 0.2 1 1525 108 HIS N N 116.4 0.2 1 1528 109 ALA H H 9.24 0.02 1 1529 109 ALA HA H 4.05 0.02 1 1530 109 ALA HB H 1.55 0.02 1 1531 109 ALA C C 180.4 0.2 1 1532 109 ALA CA C 55.9 0.2 1 1533 109 ALA CB C 18.8 0.2 1 1534 109 ALA N N 130.3 0.2 1 1535 110 GLU H H 10.13 0.02 1 1536 110 GLU HA H 4.21 0.02 1 1537 110 GLU HB2 H 2.08 0.02 2 1538 110 GLU HB3 H 2.08 0.02 2 1539 110 GLU HG2 H 2.35 0.02 2 1540 110 GLU HG3 H 2.42 0.02 2 1541 110 GLU C C 179.5 0.2 1 1542 110 GLU CA C 59.3 0.2 1 1543 110 GLU CB C 29.3 0.2 1 1544 110 GLU CG C 36.6 0.2 1 1546 110 GLU N N 118.4 0.2 1 1547 111 LEU H H 6.90 0.02 1 1548 111 LEU HA H 4.02 0.02 1 1549 111 LEU HB2 H 1.02 0.02 2 1550 111 LEU HB3 H 1.51 0.02 2 1551 111 LEU HG H 0.07 0.02 1 1552 111 LEU HD1 H -0.66 0.02 1 1553 111 LEU HD2 H -0.18 0.02 1 1554 111 LEU C C 178.6 0.2 1 1555 111 LEU CA C 56.3 0.2 1 1556 111 LEU CB C 40.9 0.2 1 1557 111 LEU CG C 25.3 0.2 1 1558 111 LEU CD1 C 25.3 0.2 1 1559 111 LEU CD2 C 22.5 0.2 1 1560 111 LEU N N 118.8 0.2 1 1561 112 ARG H H 8.02 0.02 1 1562 112 ARG HA H 3.96 0.02 1 1563 112 ARG HB2 H 2.07 0.02 2 1564 112 ARG HB3 H 2.70 0.02 2 1565 112 ARG HG2 H 1.56 0.02 2 1566 112 ARG HG3 H 1.69 0.02 2 1567 112 ARG HD2 H 3.31 0.02 2 1568 112 ARG HD3 H 3.42 0.02 2 1574 112 ARG C C 177.5 0.2 1 1575 112 ARG CA C 61.1 0.2 1 1576 112 ARG CB C 29.8 0.2 1 1577 112 ARG CG C 28.5 0.2 1 1578 112 ARG CD C 44.0 0.2 1 1580 112 ARG N N 121.7 0.2 1 1584 113 ALA H H 7.92 0.02 1 1585 113 ALA HA H 4.11 0.02 1 1586 113 ALA HB H 1.53 0.02 1 1587 113 ALA C C 180.4 0.2 1 1588 113 ALA CA C 55.2 0.2 1 1589 113 ALA CB C 17.9 0.2 1 1590 113 ALA N N 118.5 0.2 1 1591 114 LEU H H 7.48 0.02 1 1592 114 LEU HA H 4.23 0.02 1 1593 114 LEU HB2 H 1.79 0.02 2 1594 114 LEU HB3 H 2.16 0.02 2 1595 114 LEU HG H 1.75 0.02 1 1596 114 LEU HD1 H 0.94 0.02 1 1597 114 LEU HD2 H 0.75 0.02 1 1598 114 LEU C C 178.4 0.2 1 1599 114 LEU CA C 58.0 0.2 1 1600 114 LEU CB C 42.9 0.2 1 1601 114 LEU CG C 26.8 0.2 1 1602 114 LEU CD1 C 23.3 0.2 1 1603 114 LEU CD2 C 26.2 0.2 1 1604 114 LEU N N 120.3 0.2 1 1605 115 LEU H H 8.58 0.02 1 1606 115 LEU HA H 4.18 0.02 1 1607 115 LEU HB2 H 1.40 0.02 2 1608 115 LEU HB3 H 1.86 0.02 2 1609 115 LEU HG H 0.86 0.02 1 1610 115 LEU HD1 H 0.00 0.02 1 1611 115 LEU HD2 H -0.14 0.02 1 1612 115 LEU C C 181.2 0.2 1 1613 115 LEU CA C 58.2 0.2 1 1614 115 LEU CB C 41.9 0.2 1 1615 115 LEU CG C 27.3 0.2 1 1616 115 LEU CD1 C 22.6 0.2 1 1617 115 LEU CD2 C 23.9 0.2 1 1618 115 LEU N N 117.0 0.2 1 1619 116 LEU H H 8.76 0.02 1 1620 116 LEU HA H 3.86 0.02 1 1621 116 LEU HB2 H 1.55 0.02 2 1622 116 LEU HB3 H 1.91 0.02 2 1623 116 LEU HG H 1.85 0.02 1 1624 116 LEU HD1 H 0.89 0.02 1 1625 116 LEU HD2 H 0.87 0.02 1 1626 116 LEU C C 179.6 0.2 1 1627 116 LEU CA C 59.1 0.2 1 1628 116 LEU CB C 40.9 0.2 1 1629 116 LEU CG C 27.7 0.2 1 1630 116 LEU CD1 C 25.5 0.2 1 1631 116 LEU CD2 C 23.5 0.2 1 1632 116 LEU N N 120.5 0.2 1 1633 117 ALA H H 7.94 0.02 1 1634 117 ALA HA H 4.35 0.02 1 1635 117 ALA HB H 1.68 0.02 1 1636 117 ALA C C 178.2 0.2 1 1637 117 ALA CA C 54.1 0.2 1 1638 117 ALA CB C 18.3 0.2 1 1639 117 ALA N N 120.3 0.2 1 1640 118 THR H H 7.46 0.02 1 1641 118 THR HA H 4.26 0.02 1 1642 118 THR HB H 4.16 0.02 1 1643 118 THR HG1 H 5.85 0.02 1 1644 118 THR HG2 H 1.58 0.02 1 1645 118 THR C C 175.1 0.2 1 1646 118 THR CA C 62.8 0.2 1 1647 118 THR CB C 71.7 0.2 1 1648 118 THR CG2 C 22.4 0.2 1 1649 118 THR N N 104.6 0.2 1 1650 119 ALA H H 7.30 0.02 1 1651 119 ALA HA H 3.95 0.02 1 1652 119 ALA HB H 1.34 0.02 1 1654 119 ALA CA C 51.6 0.2 1 1655 119 ALA CB C 17.6 0.2 1 1656 119 ALA N N 124.7 0.2 1 1657 120 PRO HA H 4.61 0.02 1 1658 120 PRO HB2 H 1.96 0.02 2 1659 120 PRO HB3 H 2.51 0.02 2 1660 120 PRO HG2 H 1.46 0.02 2 1661 120 PRO HG3 H 1.97 0.02 2 1662 120 PRO HD2 H 3.21 0.02 2 1663 120 PRO HD3 H 3.54 0.02 2 1664 120 PRO C C 175.0 0.2 1 1665 120 PRO CA C 64.1 0.2 1 1666 120 PRO CB C 32.5 0.2 1 1667 120 PRO CG C 24.1 0.2 1 1668 120 PRO CD C 49.0 0.2 1 1670 121 ALA H H 9.02 0.02 1 1671 121 ALA HA H 4.19 0.02 1 1672 121 ALA HB H 1.30 0.02 1 1673 121 ALA C C 178.5 0.2 1 1674 121 ALA CA C 53.5 0.2 1 1675 121 ALA CB C 19.8 0.2 1 1676 121 ALA N N 127.1 0.2 1 1677 122 LYS H H 8.36 0.02 1 1678 122 LYS HA H 4.42 0.02 1 1679 122 LYS HB2 H 1.73 0.02 2 1680 122 LYS HB3 H 1.88 0.02 2 1681 122 LYS HG2 H 1.20 0.02 2 1682 122 LYS HG3 H 1.37 0.02 2 1683 122 LYS HD2 H 1.56 0.02 2 1684 122 LYS HD3 H 1.62 0.02 2 1685 122 LYS HE2 H 2.82 0.02 2 1686 122 LYS HE3 H 2.90 0.02 2 1688 122 LYS C C 174.7 0.2 1 1689 122 LYS CA C 56.2 0.2 1 1690 122 LYS CB C 33.2 0.2 1 1691 122 LYS CG C 25.5 0.2 1 1692 122 LYS CD C 29.4 0.2 1 1693 122 LYS CE C 42.0 0.2 1 1694 122 LYS N N 123.4 0.2 1 1696 123 LEU H H 7.66 0.02 1 1697 123 LEU HA H 5.04 0.02 1 1698 123 LEU HB2 H 1.12 0.02 2 1699 123 LEU HB3 H 1.88 0.02 2 1700 123 LEU HG H 1.51 0.02 1 1701 123 LEU HD1 H 0.36 0.02 1 1702 123 LEU HD2 H 0.67 0.02 1 1703 123 LEU C C 175.9 0.2 1 1704 123 LEU CA C 53.0 0.2 1 1705 123 LEU CB C 43.4 0.2 1 1706 123 LEU CG C 26.6 0.2 1 1707 123 LEU CD1 C 25.9 0.2 1 1708 123 LEU CD2 C 23.2 0.2 1 1709 123 LEU N N 126.4 0.2 1 1710 124 VAL H H 9.00 0.02 1 1711 124 VAL HA H 4.34 0.02 1 1712 124 VAL HB H 2.22 0.02 1 1713 124 VAL HG1 H 0.66 0.02 2 1714 124 VAL HG2 H 0.66 0.02 2 1715 124 VAL C C 174.1 0.2 1 1716 124 VAL CA C 60.5 0.2 1 1717 124 VAL CB C 35.4 0.2 1 1718 124 VAL CG1 C 21.3 0.2 2 1719 124 VAL CG2 C 21.3 0.2 2 1720 124 VAL N N 122.8 0.2 1 1721 125 GLU H H 7.93 0.02 1 1722 125 GLU HA H 3.67 0.02 1 1723 125 GLU HB2 H 1.44 0.02 2 1724 125 GLU HB3 H 2.54 0.02 2 1725 125 GLU HG2 H 2.00 0.02 2 1726 125 GLU HG3 H 2.15 0.02 2 1727 125 GLU C C 173.6 0.2 1 1728 125 GLU CA C 54.2 0.2 1 1729 125 GLU CB C 26.8 0.2 1 1730 125 GLU CG C 34.6 0.2 1 1732 125 GLU N N 126.7 0.2 1 1733 126 HIS H H 8.37 0.02 1 1734 126 HIS HA H 5.06 0.02 1 1735 126 HIS HB2 H 2.72 0.02 2 1736 126 HIS HB3 H 3.10 0.02 2 1738 126 HIS HD2 H 7.12 0.02 1 1739 126 HIS HE1 H 8.52 0.02 1 1741 126 HIS C C 172.4 0.2 1 1742 126 HIS CA C 52.9 0.2 1 1743 126 HIS CB C 28.9 0.2 1 1745 126 HIS CD2 C 120.2 0.2 1 1746 126 HIS CE1 C 137.0 0.2 1 1747 126 HIS N N 131.1 0.2 1 1750 127 THR H H 7.74 0.02 1 1751 127 THR HA H 3.92 0.02 1 1752 127 THR HB H 3.38 0.02 1 1754 127 THR HG2 H 1.00 0.02 1 1755 127 THR C C 171.6 0.2 1 1756 127 THR CA C 59.2 0.2 1 1757 127 THR CB C 67.6 0.2 1 1758 127 THR CG2 C 18.2 0.2 1 1759 127 THR N N 119.5 0.2 1 1760 128 GLU H H 8.63 0.02 1 1761 128 GLU HA H 3.62 0.02 1 1762 128 GLU HB2 H 1.84 0.02 2 1763 128 GLU HB3 H 1.84 0.02 2 1764 128 GLU HG2 H 2.14 0.02 2 1765 128 GLU HG3 H 2.14 0.02 2 1766 128 GLU C C 176.7 0.2 1 1767 128 GLU CA C 56.8 0.2 1 1768 128 GLU CB C 29.3 0.2 1 1769 128 GLU CG C 35.9 0.2 1 1771 128 GLU N N 125.8 0.2 1 1772 129 ASN H H 8.32 0.02 1 1773 129 ASN HA H 4.58 0.02 1 1774 129 ASN HB2 H 2.62 0.02 2 1775 129 ASN HB3 H 2.88 0.02 2 1776 129 ASN HD21 H 7.31 0.02 1 1777 129 ASN HD22 H 6.95 0.02 1 1778 129 ASN C C 174.4 0.2 1 1779 129 ASN CA C 53.9 0.2 1 1780 129 ASN CB C 39.2 0.2 1 1782 129 ASN N N 116.3 0.2 1 1783 129 ASN ND2 N 112.4 0.2 1 1784 130 ASP H H 6.65 0.02 1 1785 130 ASP HA H 4.73 0.02 1 1786 130 ASP HB2 H 2.57 0.02 2 1787 130 ASP HB3 H 2.80 0.02 2 1788 130 ASP C C 174.7 0.2 1 1789 130 ASP CA C 54.9 0.2 1 1790 130 ASP CB C 43.9 0.2 1 1791 130 ASP CG C 176.4 0.2 1 1792 130 ASP N N 117.5 0.2 1 1793 131 ALA H H 8.94 0.02 1 1794 131 ALA HA H 4.45 0.02 1 1795 131 ALA HB H 1.52 0.02 1 1796 131 ALA C C 176.8 0.2 1 1797 131 ALA CA C 51.2 0.2 1 1798 131 ALA CB C 19.2 0.2 1 1799 131 ALA N N 127.3 0.2 1 1800 132 TYR H H 9.29 0.02 1 1801 132 TYR HA H 4.40 0.02 1 1802 132 TYR HB2 H 2.92 0.02 2 1803 132 TYR HB3 H 2.92 0.02 2 1804 132 TYR HD1 H 5.89 0.02 3 1805 132 TYR HD2 H 5.89 0.02 3 1806 132 TYR HE1 H 5.78 0.02 3 1807 132 TYR HE2 H 5.78 0.02 3 1809 132 TYR C C 173.6 0.2 1 1810 132 TYR CA C 60.3 0.2 1 1811 132 TYR CB C 39.7 0.2 1 1813 132 TYR CD1 C 132.6 0.2 3 1814 132 TYR CD2 C 132.6 0.2 3 1815 132 TYR CE1 C 119.9 0.2 3 1816 132 TYR CE2 C 119.9 0.2 3 1818 132 TYR N N 123.7 0.2 1 1819 133 TRP H H 9.07 0.02 1 1820 133 TRP HA H 4.38 0.02 1 1821 133 TRP HB2 H 3.46 0.02 2 1822 133 TRP HB3 H 3.46 0.02 2 1823 133 TRP HD1 H 8.33 0.02 1 1824 133 TRP HE1 H 10.77 0.02 1 1825 133 TRP HE3 H 7.47 0.02 1 1826 133 TRP HZ2 H 7.47 0.02 1 1827 133 TRP HZ3 H 6.93 0.02 1 1828 133 TRP HH2 H 6.96 0.02 1 1829 133 TRP C C 176.4 0.2 1 1830 133 TRP CA C 58.0 0.2 1 1831 133 TRP CB C 29.5 0.2 1 1833 133 TRP CD1 C 130.1 0.2 1 1836 133 TRP CE3 C 121.0 0.2 1 1837 133 TRP CZ2 C 115.2 0.2 1 1838 133 TRP CZ3 C 121.1 0.2 1 1839 133 TRP CH2 C 122.8 0.2 1 1840 133 TRP N N 121.7 0.2 1 1841 133 TRP NE1 N 131.6 0.2 1 1842 134 GLY H H 6.73 0.02 1 1843 134 GLY HA2 H 3.78 0.02 2 1844 134 GLY HA3 H 5.34 0.02 2 1845 134 GLY C C 175.5 0.2 1 1846 134 GLY CA C 44.4 0.2 1 1847 134 GLY N N 101.1 0.2 1 1848 135 ASP H H 8.70 0.02 1 1849 135 ASP HA H 4.13 0.02 1 1850 135 ASP HB2 H 2.40 0.02 2 1851 135 ASP HB3 H 2.98 0.02 2 1852 135 ASP C C 179.1 0.2 1 1853 135 ASP CA C 53.4 0.2 1 1854 135 ASP CB C 41.4 0.2 1 1856 135 ASP N N 116.4 0.2 1 1857 136 GLY H H 8.18 0.02 1 1858 136 GLY HA2 H 3.49 0.02 2 1859 136 GLY HA3 H 3.78 0.02 2 1860 136 GLY C C 174.0 0.2 1 1861 136 GLY CA C 46.7 0.2 1 1862 136 GLY N N 111.1 0.2 1 1863 137 GLY H H 8.57 0.02 1 1864 137 GLY HA2 H 2.72 0.02 2 1865 137 GLY HA3 H 4.01 0.02 2 1866 137 GLY C C 174.6 0.2 1 1867 137 GLY CA C 45.8 0.2 1 1868 137 GLY N N 112.9 0.2 1 1869 138 HIS H H 7.48 0.02 1 1870 138 HIS HA H 4.69 0.02 1 1871 138 HIS HB2 H 3.13 0.02 2 1872 138 HIS HB3 H 3.32 0.02 2 1874 138 HIS HD2 H 7.18 0.02 1 1875 138 HIS HE1 H 7.81 0.02 1 1877 138 HIS C C 176.8 0.2 1 1878 138 HIS CA C 55.2 0.2 1 1879 138 HIS CB C 30.2 0.2 1 1881 138 HIS CD2 C 120.2 0.2 1 1882 138 HIS CE1 C 138.6 0.2 1 1883 138 HIS N N 116.7 0.2 1 1886 139 GLY H H 7.28 0.02 1 1887 139 GLY HA2 H 3.78 0.02 2 1888 139 GLY HA3 H 4.50 0.02 2 1889 139 GLY C C 175.5 0.2 1 1890 139 GLY CA C 46.4 0.2 1 1891 139 GLY N N 105.7 0.2 1 1892 140 LYS H H 9.68 0.02 1 1893 140 LYS HA H 4.58 0.02 1 1894 140 LYS HB2 H 1.73 0.02 2 1895 140 LYS HB3 H 2.04 0.02 2 1896 140 LYS HG2 H 1.37 0.02 2 1897 140 LYS HG3 H 1.37 0.02 2 1898 140 LYS HD2 H 1.52 0.02 2 1899 140 LYS HD3 H 1.61 0.02 2 1900 140 LYS HE2 H 2.89 0.02 2 1901 140 LYS HE3 H 2.89 0.02 2 1903 140 LYS C C 177.9 0.2 1 1904 140 LYS CA C 56.0 0.2 1 1905 140 LYS CB C 31.5 0.2 1 1906 140 LYS CG C 25.1 0.2 1 1907 140 LYS CD C 28.6 0.2 1 1908 140 LYS CE C 42.0 0.2 1 1909 140 LYS N N 120.9 0.2 1 1911 141 GLY H H 8.05 0.02 1 1912 141 GLY HA2 H 3.55 0.02 2 1913 141 GLY HA3 H 4.51 0.02 2 1914 141 GLY C C 173.1 0.2 1 1915 141 GLY CA C 44.7 0.2 1 1916 141 GLY N N 106.6 0.2 1 1917 142 LYS H H 8.14 0.02 1 1918 142 LYS HA H 4.00 0.02 1 1919 142 LYS HB2 H 1.36 0.02 2 1920 142 LYS HB3 H 1.36 0.02 2 1921 142 LYS HG2 H 1.42 0.02 2 1922 142 LYS HG3 H 1.61 0.02 2 1923 142 LYS HD2 H 1.44 0.02 2 1924 142 LYS HD3 H 1.48 0.02 2 1925 142 LYS HE2 H 3.02 0.02 2 1926 142 LYS HE3 H 3.02 0.02 2 1928 142 LYS C C 177.3 0.2 1 1929 142 LYS CA C 58.1 0.2 1 1930 142 LYS CB C 33.0 0.2 1 1931 142 LYS CG C 25.7 0.2 1 1932 142 LYS CD C 29.3 0.2 1 1933 142 LYS CE C 42.2 0.2 1 1934 142 LYS N N 117.1 0.2 1 1936 143 ASN H H 7.92 0.02 1 1937 143 ASN HA H 4.15 0.02 1 1938 143 ASN HB2 H 1.80 0.02 2 1939 143 ASN HB3 H 3.07 0.02 2 1940 143 ASN HD21 H 7.74 0.02 2 1941 143 ASN HD22 H 6.34 0.02 2 142 143 ASN C C 176.1 0.2 1 1943 143 ASN CA C 53.0 0.2 1 1944 143 ASN CB C 38.7 0.2 1 1945 143 ASN CG C 177.7 0.2 1 1946 143 ASN N N 114.4 0.2 1 1947 143 ASN ND2 N 110.0 0.2 1 1948 144 ARG H H 8.95 0.02 1 1949 144 ARG HA H 3.95 0.02 1 1950 144 ARG HB2 H 1.18 0.02 2 1951 144 ARG HB3 H 1.67 0.02 2 1954 144 ARG HD2 H 2.73 0.02 2 1955 144 ARG HD3 H 2.73 0.02 2 1961 144 ARG C C 179.7 0.2 1 1962 144 ARG CA C 56.7 0.2 1 1963 144 ARG CB C 27.0 0.2 1 1967 144 ARG N N 113.2 0.2 1 1971 145 LEU H H 10.35 0.02 1 1972 145 LEU HA H 4.57 0.02 1 1973 145 LEU HB2 H 1.75 0.02 2 1974 145 LEU HB3 H 2.24 0.02 2 1975 145 LEU HG H 1.78 0.02 1 1976 145 LEU HD1 H 1.07 0.02 1 1977 145 LEU HD2 H 1.13 0.02 1 1978 145 LEU C C 178.6 0.2 1 1979 145 LEU CA C 58.7 0.2 1 1980 145 LEU CB C 42.3 0.2 1 1981 145 LEU CG C 28.3 0.2 1 1982 145 LEU CD1 C 24.7 0.2 1 1983 145 LEU CD2 C 26.6 0.2 1 1984 145 LEU N N 119.2 0.2 1 1985 146 GLY H H 6.94 0.02 1 1986 146 GLY HA2 H 3.54 0.02 2 1987 146 GLY HA3 H 4.27 0.02 2 1988 146 GLY C C 176.2 0.2 1 1989 146 GLY CA C 48.1 0.2 1 1990 146 GLY N N 105.1 0.2 1 1991 147 TYR H H 8.43 0.02 1 1992 147 TYR HA H 4.34 0.02 1 1993 147 TYR HB2 H 2.97 0.02 2 1994 147 TYR HB3 H 3.12 0.02 2 1995 147 TYR HD1 H 7.27 0.02 3 1996 147 TYR HD2 H 7.27 0.02 3 1997 147 TYR HE1 H 6.85 0.02 3 1998 147 TYR HE2 H 6.85 0.02 3 2000 147 TYR C C 179.4 0.2 1 2001 147 TYR CA C 63.0 0.2 1 2002 147 TYR CB C 38.0 0.2 1 2004 147 TYR CD1 C 133.8 0.2 3 2005 147 TYR CD2 C 133.8 0.2 3 2006 147 TYR CE1 C 117.9 0.2 3 2007 147 TYR CE2 C 117.9 0.2 3 2009 147 TYR N N 118.9 0.2 1 2010 148 LEU H H 8.69 0.02 1 2011 148 LEU HA H 4.16 0.02 1 2012 148 LEU HB2 H 1.47 0.02 2 2013 148 LEU HB3 H 2.07 0.02 2 2014 148 LEU HG H 2.31 0.02 1 2015 148 LEU HD1 H 1.11 0.02 1 2016 148 LEU HD2 H 1.02 0.02 1 2017 148 LEU C C 181.2 0.2 1 2018 148 LEU CA C 58.3 0.2 1 2019 148 LEU CB C 41.5 0.2 1 2020 148 LEU CG C 27.6 0.2 1 2021 148 LEU CD1 C 26.6 0.2 1 2022 148 LEU CD2 C 22.7 0.2 1 2023 148 LEU N N 121.5 0.2 1 2024 149 LEU H H 8.59 0.02 1 2025 149 LEU HA H 3.79 0.02 1 2026 149 LEU HB2 H 0.72 0.02 2 2027 149 LEU HB3 H 1.93 0.02 2 2028 149 LEU HG H 1.63 0.02 1 2029 149 LEU HD1 H 0.55 0.02 1 2030 149 LEU HD2 H 0.44 0.02 1 2031 149 LEU C C 178.8 0.2 1 2032 149 LEU CA C 58.2 0.2 1 2033 149 LEU CB C 42.7 0.2 1 2034 149 LEU CG C 27.0 0.2 1 2035 149 LEU CD1 C 27.2 0.2 1 2036 149 LEU CD2 C 25.0 0.2 1 2037 149 LEU N N 122.6 0.2 1 2038 150 MET H H 8.23 0.02 1 2039 150 MET HA H 3.56 0.02 1 2040 150 MET HB2 H 2.24 0.02 2 2041 150 MET HB3 H 2.31 0.02 2 2042 150 MET HG2 H 2.12 0.02 2 2043 150 MET HG3 H 2.89 0.02 2 2044 150 MET HE H 2.10 0.02 1 2045 150 MET C C 177.4 0.2 1 2046 150 MET CA C 60.3 0.2 1 2047 150 MET CB C 33.3 0.2 1 2048 150 MET CG C 31.9 0.2 1 2049 150 MET CE C 15.8 0.2 1 2050 150 MET N N 119.0 0.2 1 2051 151 GLU H H 8.26 0.02 1 2052 151 GLU HA H 3.98 0.02 1 2053 151 GLU HB2 H 2.11 0.02 2 2054 151 GLU HB3 H 2.11 0.02 2 2055 151 GLU HG2 H 2.03 0.02 2 2056 151 GLU HG3 H 2.37 0.02 2 2057 151 GLU C C 177.4 0.2 1 2058 151 GLU CA C 59.4 0.2 1 2059 151 GLU CB C 30.6 0.2 1 2060 151 GLU CG C 37.0 0.2 1 2062 151 GLU N N 121.4 0.2 1 2063 152 LEU H H 7.83 0.02 1 2064 152 LEU HA H 4.09 0.02 1 2065 152 LEU HB2 H 1.61 0.02 2 2066 152 LEU HB3 H 1.68 0.02 2 2067 152 LEU HG H 1.19 0.02 1 2068 152 LEU HD1 H 0.96 0.02 1 2069 152 LEU HD2 H 0.68 0.02 1 2070 152 LEU C C 177.4 0.2 1 2071 152 LEU CA C 57.2 0.2 1 2072 152 LEU CB C 41.1 0.2 1 2073 152 LEU CG C 27.0 0.2 1 2074 152 LEU CD1 C 22.1 0.2 1 2075 152 LEU CD2 C 27.3 0.2 1 2076 152 LEU N N 120.9 0.2 1 2077 153 ARG H H 8.43 0.02 1 2078 153 ARG HA H 3.40 0.02 1 2079 153 ARG HB2 H 1.33 0.02 2 2080 153 ARG HB3 H 2.34 0.02 2 2081 153 ARG HG2 H 1.66 0.02 2 2082 153 ARG HG3 H 1.66 0.02 2 2083 153 ARG HD2 H 2.45 0.02 2 2084 153 ARG HD3 H 3.27 0.02 2 2085 153 ARG HE H 8.37 0.02 1 2090 153 ARG C C 176.8 0.2 1 2091 153 ARG CA C 60.0 0.2 1 2092 153 ARG CB C 31.4 0.2 1 2093 153 ARG CG C 25.6 0.2 1 2094 153 ARG CD C 45.3 0.2 1 2095 153 ARG CZ C 160.1 0.2 1 2096 153 ARG N N 120.1 0.2 1 2097 153 ARG NE N 84.4 0.2 1 2100 154 GLU H H 7.69 0.02 1 2101 154 GLU HA H 4.06 0.02 1 2102 154 GLU HB2 H 2.13 0.02 2 2103 154 GLU HB3 H 2.13 0.02 2 2104 154 GLU HG2 H 2.35 0.02 2 2105 154 GLU HG3 H 2.35 0.02 2 2106 154 GLU C C 179.3 0.2 1 2107 154 GLU CA C 59.0 0.2 1 2108 154 GLU CB C 29.5 0.2 1 2109 154 GLU CG C 36.6 0.2 1 2111 154 GLU N N 116.9 0.2 1 2112 155 GLN H H 7.68 0.02 1 2113 155 GLN HA H 4.05 0.02 1 2114 155 GLN HB2 H 2.06 0.02 2 2115 155 GLN HB3 H 2.26 0.02 2 2116 155 GLN HG2 H 2.42 0.02 2 2117 155 GLN HG3 H 2.61 0.02 2 2118 155 GLN HE21 H 7.57 0.02 1 2119 155 GLN HE22 H 6.75 0.02 1 2120 155 GLN C C 179.2 0.2 1 2121 155 GLN CA C 58.7 0.2 1 2122 155 GLN CB C 28.2 0.2 1 2123 155 GLN CG C 33.5 0.2 1 2124 155 GLN CD C 179.7 0.2 1 2125 155 GLN N N 118.2 0.2 1 2126 155 GLN NE2 N 110.8 0.2 1 2127 156 LEU H H 9.00 0.02 1 2128 156 LEU HA H 4.07 0.02 1 2129 156 LEU HB2 H 1.34 0.02 2 2130 156 LEU HB3 H 1.89 0.02 2 2131 156 LEU HG H 1.86 0.02 1 2132 156 LEU HD1 H 0.66 0.02 1 2133 156 LEU HD2 H 0.83 0.02 1 2134 156 LEU C C 122.2 0.2 1 2135 156 LEU CA C 57.2 0.2 1 2136 156 LEU CB C 41.7 0.2 1 2137 156 LEU CG C 26.3 0.2 1 2138 156 LEU CD1 C 26.6 0.2 1 2139 156 LEU CD2 C 21.9 0.2 1 2140 156 LEU N N 118.5 0.2 1 2141 157 ALA H H 8.01 0.02 1 2142 157 ALA HA H 4.06 0.02 1 2143 157 ALA HB H 1.51 0.02 1 2144 157 ALA C C 179.8 0.2 1 2145 157 ALA CA C 54.9 0.2 1 2146 157 ALA CB C 18.5 0.2 1 2147 157 ALA N N 122.2 0.2 1 2148 158 ILE H H 7.53 0.02 1 2149 158 ILE HA H 3.98 0.02 1 2150 158 ILE HB H 2.04 0.02 1 2151 158 ILE HG12 H 1.28 0.02 2 2152 158 ILE HG13 H 1.67 0.02 2 2153 158 ILE HG2 H 0.95 0.02 1 2154 158 ILE HD1 H 0.89 0.02 1 2155 158 ILE C C 117.7 0.2 1 2156 158 ILE CA C 63.4 0.2 1 2157 158 ILE CB C 38.4 0.2 1 2158 158 ILE CG1 C 28.5 0.2 1 2159 158 ILE CG2 C 17.5 0.2 1 2160 158 ILE CD1 C 13.3 0.2 1 2161 158 ILE N N 117.7 0.2 1 2162 159 GLU H H 8.02 0.02 1 2163 159 GLU HA H 4.06 0.02 1 2164 159 GLU HB2 H 2.04 0.02 2 2165 159 GLU HB3 H 2.04 0.02 2 2166 159 GLU HG2 H 2.27 0.02 2 2167 159 GLU HG3 H 2.51 0.02 2 2168 159 GLU C C 177.9 0.2 1 2169 159 GLU CA C 58.4 0.2 1 2170 159 GLU CB C 29.9 0.2 1 2171 159 GLU CG C 36.7 0.2 1 2173 159 GLU N N 121.4 0.2 1 2174 160 LYS H H 7.88 0.02 1 2175 160 LYS HA H 4.18 0.02 1 2176 160 LYS HB2 H 1.89 0.02 2 2177 160 LYS HB3 H 1.89 0.02 2 2178 160 LYS HG2 H 1.42 0.02 2 2179 160 LYS HG3 H 1.48 0.02 2 2180 160 LYS HD2 H 1.68 0.02 2 2181 160 LYS HD3 H 1.68 0.02 2 2182 160 LYS HE2 H 3.01 0.02 2 2183 160 LYS HE3 H 3.01 0.02 2 2185 160 LYS C C 177.4 0.2 1 2186 160 LYS CA C 57.5 0.2 1 2187 160 LYS CB C 32.6 0.2 1 2188 160 LYS CG C 24.8 0.2 1 2189 160 LYS CD C 29.4 0.2 1 2190 160 LYS CE C 42.1 0.2 1 2191 160 LYS N N 119.3 0.2 1 2193 161 LEU H H 7.81 0.02 1 2194 161 LEU HA H 4.23 0.02 1 2195 161 LEU HB2 H 1.59 0.02 2 2196 161 LEU HB3 H 1.77 0.02 2 2197 161 LEU HG H 1.70 0.02 1 2198 161 LEU HD1 H 0.87 0.02 1 2199 161 LEU HD2 H 0.93 0.02 1 2200 161 LEU C C 178.0 0.2 1 2201 161 LEU CA C 56.0 0.2 1 2202 161 LEU CB C 42.2 0.2 1 2203 161 LEU CG C 26.9 0.2 1 2204 161 LEU CD1 C 23.4 0.2 1 2205 161 LEU CD2 C 25.0 0.2 1 2206 161 LEU N N 120.9 0.2 1 2207 162 GLU H H 8.19 0.02 1 2208 162 GLU HA H 4.17 0.02 1 2209 162 GLU HB2 H 1.95 0.02 2 2210 162 GLU HB3 H 1.95 0.02 2 2211 162 GLU HG2 H 2.17 0.02 2 2212 162 GLU HG3 H 2.30 0.02 2 2213 162 GLU C C 176.8 0.2 1 2214 162 GLU CA C 57.1 0.2 1 2215 162 GLU CB C 30.1 0.2 1 2216 162 GLU CG C 36.2 0.2 1 2218 162 GLU N N 119.7 0.2 1 2219 163 HIS H H 8.16 0.02 1 2220 163 HIS HA H 4.54 0.02 1 2221 163 HIS HB2 H 3.11 0.02 2 2222 163 HIS HB3 H 3.11 0.02 2 2224 163 HIS HD2 H 7.02 0.02 1 2227 163 HIS C C 173.9 0.2 1 2228 163 HIS CA C 56.1 0.2 1 2229 163 HIS CB C 30.2 0.2 1 2231 163 HIS CD2 C 119.5 0.2 1 2233 163 HIS N N 118.7 0.2 1 2236 164 HIS H H 8.12 0.02 1 2237 164 HIS HA H 4.43 0.02 1 2238 164 HIS HB2 H 3.09 0.02 2 2239 164 HIS HB3 H 3.09 0.02 2 2241 164 HIS HD2 H 7.04 0.02 1 2245 164 HIS CA C 57.3 0.2 1 2246 164 HIS CB C 30.3 0.2 1 2248 164 HIS CD2 C 120.2 0.2 1 2250 164 HIS N N 125.3 0.2 1 stop_ # The following loop is used to define sets of Atom-shift assignment IDs that # represent related ambiguous assignments taken from the above list of # assigned chemical shifts. Each element in the set should be separated by a # comma, as shown in the example below, and is the assignment ID for a chemical # shift assignment that has been given as ambiguity code of 4 or 5. Each set # indicates that the observed chemical shifts are related to the defined # atoms, but have not been assigned uniquely to a specific atom in the set. loop_ _Atom_shift_assign_ID_ambiguity # # Sets of Atom-shift Assignment Ambiguities # # ------------------------------------------ # Example: 5,4,7 # @ stop_