save_polymer _Saveframe_category monomeric_polymer ############################## # Polymer residue sequence # ############################## _Residue_count 69 _Mol_residue_sequence ; MGHHHHHHSHMSHTQVIELE RKFSHQKYLSAPERAHLAKN LKLTETQVKIWFQNRRYKTK RKQLSSELG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLY 3 3 HIS 4 4 HIS 6 6 HIS 7 7 HIS 8 8 HIS 9 9 SER 11 11 MET 12 12 SER 13 13 HIS 14 14 THR 16 16 VAL 17 17 ILE 18 18 GLU 19 19 LEU 21 21 ARG 22 22 LYS 23 23 PHE 24 24 SER 26 26 GLN 27 27 LYS 28 28 TYR 29 29 LEU 31 31 ALA 32 32 PRO 33 33 GLU 34 34 ARG 36 36 HIS 37 37 LEU 38 38 ALA 39 39 LYS 41 41 LEU 42 42 LYS 43 43 LEU 44 44 THR 46 46 THR 47 47 GLN 48 48 VAL 49 49 LYS 51 51 TRP 52 52 PHE 53 53 GLN 54 54 ASN 56 56 ARG 57 57 TYR 58 58 LYS 59 59 THR 61 61 ARG 62 62 LYS 63 63 GLN 64 64 LEU 66 66 SER 67 67 GLU 68 68 LEU 69 69 GLY stop_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value 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 # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_type 1 10 10 HIS CA C 56.002 0.400 1 2 10 10 HIS HA H 4.687 0.020 1 3 10 10 HIS CB C 30.634 0.400 1 4 10 10 HIS HB2 H 3.201 0.020 2 5 10 10 HIS HB3 H 3.106 0.020 2 6 10 10 HIS CD2 C 119.578 0.400 1 7 10 10 HIS HD2 H 7.067 0.020 1 8 10 10 HIS C C 175.190 0.400 1 9 11 11 MET N N 121.293 0.400 1 10 11 11 MET H H 8.234 0.020 1 11 11 11 MET CA C 55.347 0.400 1 12 11 11 MET HA H 4.659 0.020 1 13 11 11 MET CB C 34.981 0.400 1 14 11 11 MET HB2 H 1.996 0.020 2 15 11 11 MET HB3 H 1.835 0.020 2 16 11 11 MET CG C 32.805 0.400 1 17 11 11 MET HG2 H 2.386 0.020 2 18 11 11 MET HG3 H 2.484 0.020 2 19 11 11 MET C C 175.775 0.400 1 20 12 12 SER N N 119.618 0.400 1 21 12 12 SER H H 9.360 0.020 1 22 12 12 SER CA C 56.516 0.400 1 23 12 12 SER HA H 4.586 0.020 1 24 12 12 SER CB C 65.530 0.400 1 25 12 12 SER HB2 H 4.374 0.020 2 26 12 12 SER HB3 H 3.948 0.020 2 27 13 13 HIS CA C 59.745 0.400 1 28 13 13 HIS HA H 4.375 0.020 1 29 13 13 HIS CB C 29.607 0.400 1 30 13 13 HIS HB2 H 3.212 0.020 2 31 13 13 HIS HB3 H 3.272 0.020 2 32 13 13 HIS CD2 C 119.520 0.400 1 33 13 13 HIS HD2 H 7.121 0.020 1 34 13 13 HIS C C 176.950 0.400 1 35 14 14 THR N N 111.332 0.400 1 36 14 14 THR H H 7.917 0.020 1 37 14 14 THR CA C 65.624 0.400 1 38 14 14 THR HA H 3.812 0.020 1 39 14 14 THR CB C 68.516 0.400 1 40 14 14 THR HB H 4.045 0.020 1 41 14 14 THR HG2 H 1.208 0.020 1 42 14 14 THR CG2 C 21.815 0.400 1 43 14 14 THR C C 176.087 0.400 1 44 15 15 GLN N N 120.358 0.400 1 45 15 15 GLN H H 7.507 0.020 1 46 15 15 GLN CA C 59.351 0.400 1 47 15 15 GLN HA H 3.793 0.020 1 48 15 15 GLN CB C 28.067 0.400 1 49 15 15 GLN HB2 H 2.504 0.020 2 50 15 15 GLN HB3 H 1.633 0.020 2 51 15 15 GLN CG C 35.208 0.400 1 52 15 15 GLN HG2 H 2.298 0.020 2 53 15 15 GLN HG3 H 2.485 0.020 2 54 15 15 GLN NE2 N 112.243 0.400 1 55 15 15 GLN HE21 H 7.795 0.020 2 56 15 15 GLN HE22 H 6.693 0.020 2 57 15 15 GLN C C 176.854 0.400 1 58 16 16 VAL N N 117.358 0.400 1 59 16 16 VAL H H 7.825 0.020 1 60 16 16 VAL CA C 67.297 0.400 1 61 16 16 VAL HA H 3.225 0.020 1 62 16 16 VAL CB C 31.488 0.400 1 63 16 16 VAL HB H 2.074 0.020 1 64 16 16 VAL HG1 H 1.034 0.020 2 65 16 16 VAL HG2 H 1.014 0.020 2 66 16 16 VAL CG1 C 21.875 0.400 1 67 16 16 VAL CG2 C 23.283 0.400 1 68 16 16 VAL C C 177.405 0.400 1 69 17 17 ILE N N 118.342 0.400 1 70 17 17 ILE H H 8.010 0.020 1 71 17 17 ILE CA C 64.320 0.400 1 72 17 17 ILE HA H 3.685 0.020 1 73 17 17 ILE CB C 37.267 0.400 1 74 17 17 ILE HB H 1.838 0.020 1 75 17 17 ILE HG2 H 0.806 0.020 1 76 17 17 ILE CG2 C 17.207 0.400 1 77 17 17 ILE CG1 C 28.437 0.400 1 78 17 17 ILE HG12 H 1.083 0.020 2 79 17 17 ILE HG13 H 1.376 0.020 2 80 17 17 ILE HD1 H 0.700 0.020 1 81 17 17 ILE CD1 C 12.317 0.400 1 82 17 17 ILE C C 179.130 0.400 1 83 18 18 GLU N N 119.233 0.400 1 84 18 18 GLU H H 7.552 0.020 1 85 18 18 GLU CA C 58.414 0.400 1 86 18 18 GLU HA H 4.194 0.020 1 87 18 18 GLU CB C 29.574 0.400 1 88 18 18 GLU HB2 H 1.995 0.020 2 89 18 18 GLU HB3 H 1.995 0.020 2 90 18 18 GLU CG C 35.247 0.400 1 91 18 18 GLU HG2 H 2.276 0.020 2 92 18 18 GLU HG3 H 2.407 0.020 2 93 18 18 GLU C C 179.730 0.400 1 94 19 19 LEU N N 124.248 0.400 1 95 19 19 LEU H H 7.984 0.020 1 96 19 19 LEU CA C 58.536 0.400 1 97 19 19 LEU HA H 3.640 0.020 1 98 19 19 LEU CB C 37.720 0.400 1 99 19 19 LEU HB2 H 0.709 0.020 2 100 19 19 LEU HB3 H -0.755 0.020 2 101 19 19 LEU CG C 25.696 0.400 1 102 19 19 LEU HG H 1.241 0.020 1 103 19 19 LEU HD1 H -0.280 0.020 2 104 19 19 LEU HD2 H 0.534 0.020 2 105 19 19 LEU CD1 C 24.602 0.400 1 106 19 19 LEU CD2 C 23.510 0.400 1 107 19 19 LEU C C 177.812 0.400 1 108 20 20 GLU N N 118.680 0.400 1 109 20 20 GLU H H 8.409 0.020 1 110 20 20 GLU CA C 59.068 0.400 1 111 20 20 GLU HA H 4.221 0.020 1 112 20 20 GLU CB C 28.888 0.400 1 113 20 20 GLU HB2 H 2.164 0.020 2 114 20 20 GLU HB3 H 2.040 0.020 2 115 20 20 GLU CG C 35.401 0.400 1 116 20 20 GLU HG2 H 2.463 0.020 2 117 20 20 GLU HG3 H 2.423 0.020 2 118 20 20 GLU C C 179.873 0.400 1 119 21 21 ARG N N 121.061 0.400 1 120 21 21 ARG H H 8.311 0.020 1 121 21 21 ARG CA C 59.555 0.400 1 122 21 21 ARG HA H 4.071 0.020 1 123 21 21 ARG CB C 30.194 0.400 1 124 21 21 ARG HB2 H 1.966 0.020 2 125 21 21 ARG HB3 H 1.969 0.020 2 126 21 21 ARG CG C 27.310 0.400 1 127 21 21 ARG HG2 H 1.859 0.020 2 128 21 21 ARG HG3 H 1.604 0.020 2 129 21 21 ARG CD C 43.431 0.400 1 130 21 21 ARG HD2 H 3.200 0.020 2 131 21 21 ARG HD3 H 3.234 0.020 2 132 21 21 ARG C C 179.754 0.400 1 133 22 22 LYS N N 120.920 0.400 1 134 22 22 LYS H H 8.030 0.020 1 135 22 22 LYS CA C 57.923 0.400 1 136 22 22 LYS HA H 4.351 0.020 1 137 22 22 LYS CB C 30.619 0.400 1 138 22 22 LYS HB2 H 2.056 0.020 2 139 22 22 LYS HB3 H 2.380 0.020 2 140 22 22 LYS CG C 24.774 0.400 1 141 22 22 LYS HG2 H 1.714 0.020 2 142 22 22 LYS HG3 H 1.678 0.020 2 143 22 22 LYS CD C 27.946 0.400 1 144 22 22 LYS HD2 H 1.819 0.020 2 145 22 22 LYS HD3 H 1.960 0.020 2 146 22 22 LYS CE C 42.078 0.400 1 147 22 22 LYS HE2 H 2.802 0.020 2 148 22 22 LYS HE3 H 2.950 0.020 2 149 22 22 LYS C C 178.052 0.400 1 150 23 23 PHE N N 121.576 0.400 1 151 23 23 PHE H H 8.995 0.020 1 152 23 23 PHE CA C 60.132 0.400 1 153 23 23 PHE HA H 4.757 0.020 1 154 23 23 PHE CB C 39.316 0.400 1 155 23 23 PHE HB2 H 3.154 0.020 2 156 23 23 PHE HB3 H 3.079 0.020 2 157 23 23 PHE CD1 C 132.367 0.400 1 158 23 23 PHE HD1 H 7.059 0.020 1 159 23 23 PHE CE1 C 130.753 0.400 1 160 23 23 PHE HE1 H 7.174 0.020 1 161 23 23 PHE CZ C 128.825 0.400 1 162 23 23 PHE HZ H 6.946 0.020 1 163 23 23 PHE CE2 C 130.600 0.400 1 164 23 23 PHE HE2 H 7.174 0.020 1 165 23 23 PHE CD2 C 132.511 0.400 1 166 23 23 PHE HD2 H 7.059 0.020 1 167 23 23 PHE C C 176.255 0.400 1 168 24 24 SER N N 111.736 0.400 1 169 24 24 SER H H 8.128 0.020 1 170 24 24 SER CA C 61.105 0.400 1 171 24 24 SER HA H 4.078 0.020 1 172 24 24 SER CB C 63.026 0.400 1 173 24 24 SER HB2 H 3.969 0.020 2 174 24 24 SER HB3 H 3.971 0.020 2 175 24 24 SER C C 174.530 0.400 1 176 25 25 HIS N N 118.436 0.400 1 177 25 25 HIS H H 7.635 0.020 1 178 25 25 HIS CA C 56.948 0.400 1 179 25 25 HIS HA H 4.699 0.020 1 180 25 25 HIS CB C 31.203 0.400 1 181 25 25 HIS HB2 H 3.371 0.020 2 182 25 25 HIS HB3 H 3.307 0.020 2 183 25 25 HIS CD2 C 120.871 0.400 1 184 25 25 HIS HD2 H 7.306 0.020 1 185 25 25 HIS C C 174.865 0.400 1 186 26 26 GLN N N 121.108 0.400 1 187 26 26 GLN H H 8.506 0.020 1 188 26 26 GLN CA C 55.435 0.400 1 189 26 26 GLN HA H 4.486 0.020 1 190 26 26 GLN CB C 31.797 0.400 1 191 26 26 GLN HB2 H 2.022 0.020 2 192 26 26 GLN HB3 H 2.022 0.020 2 193 26 26 GLN CG C 34.105 0.400 1 194 26 26 GLN HG2 H 2.288 0.020 2 195 26 26 GLN HG3 H 2.289 0.020 2 196 26 26 GLN NE2 N 113.367 0.400 1 197 26 26 GLN HE21 H 7.402 0.020 2 198 26 26 GLN HE22 H 7.645 0.020 2 199 26 26 GLN C C 171.797 0.400 1 200 27 27 LYS N N 119.983 0.400 1 201 27 27 LYS H H 8.121 0.020 1 202 27 27 LYS CA C 56.759 0.400 1 203 27 27 LYS HA H 3.902 0.020 1 204 27 27 LYS CB C 32.954 0.400 1 205 27 27 LYS HB2 H 1.418 0.020 2 206 27 27 LYS HB3 H 1.560 0.020 2 207 27 27 LYS CG C 24.910 0.400 1 208 27 27 LYS HG2 H 0.632 0.020 2 209 27 27 LYS HG3 H 1.156 0.020 2 210 27 27 LYS CD C 28.522 0.400 1 211 27 27 LYS HD2 H 1.231 0.020 2 212 27 27 LYS HD3 H 1.334 0.020 2 213 27 27 LYS CE C 42.400 0.400 1 214 27 27 LYS HE2 H 2.836 0.020 2 215 27 27 LYS HE3 H 2.763 0.020 2 216 27 27 LYS C C 174.625 0.400 1 217 28 28 TYR N N 113.084 0.400 1 218 28 28 TYR H H 7.503 0.020 1 219 28 28 TYR CA C 56.378 0.400 1 220 28 28 TYR HA H 4.719 0.020 1 221 28 28 TYR CB C 41.184 0.400 1 222 28 28 TYR HB2 H 2.946 0.020 2 223 28 28 TYR HB3 H 2.717 0.020 2 224 28 28 TYR CD1 C 133.552 0.400 1 225 28 28 TYR HD1 H 7.127 0.020 1 226 28 28 TYR CE1 C 117.713 0.400 1 227 28 28 TYR HE1 H 6.789 0.020 1 228 28 28 TYR CE2 C 117.910 0.400 1 229 28 28 TYR HE2 H 6.789 0.020 1 230 28 28 TYR CD2 C 133.605 0.400 1 231 28 28 TYR HD2 H 7.127 0.020 1 232 28 28 TYR C C 174.529 0.400 1 233 29 29 LEU N N 122.842 0.400 1 234 29 29 LEU H H 8.503 0.020 1 235 29 29 LEU CA C 53.057 0.400 1 236 29 29 LEU HA H 4.584 0.020 1 237 29 29 LEU CB C 44.306 0.400 1 238 29 29 LEU HB2 H 1.243 0.020 2 239 29 29 LEU HB3 H 1.461 0.020 2 240 29 29 LEU CG C 26.770 0.400 1 241 29 29 LEU HG H 0.741 0.020 1 242 29 29 LEU HD1 H 0.148 0.020 2 243 29 29 LEU HD2 H 0.461 0.020 2 244 29 29 LEU CD1 C 26.449 0.400 1 245 29 29 LEU CD2 C 23.312 0.400 1 246 29 29 LEU C C 176.710 0.400 1 247 30 30 SER N N 118.858 0.400 1 248 30 30 SER H H 8.979 0.020 1 249 30 30 SER CA C 56.863 0.400 1 250 30 30 SER HA H 4.554 0.020 1 251 30 30 SER CB C 64.903 0.400 1 252 30 30 SER HB2 H 4.010 0.020 2 253 30 30 SER HB3 H 4.224 0.020 2 254 30 30 SER C C 174.313 0.400 1 255 31 31 ALA N N 123.123 0.400 1 256 31 31 ALA H H 9.180 0.020 1 257 31 31 ALA CA C 57.187 0.400 1 258 31 31 ALA HA H 4.211 0.020 1 259 31 31 ALA HB H 1.558 0.020 1 260 31 31 ALA CB C 15.325 0.400 1 261 32 32 PRO CD C 50.036 0.400 1 262 32 32 PRO CA C 65.822 0.400 1 263 32 32 PRO HA H 4.381 0.020 1 264 32 32 PRO CB C 30.877 0.400 1 265 32 32 PRO HB2 H 1.796 0.020 2 266 32 32 PRO HB3 H 2.308 0.020 2 267 32 32 PRO CG C 28.378 0.400 1 268 32 32 PRO HG2 H 1.981 0.020 2 269 32 32 PRO HG3 H 2.098 0.020 2 270 32 32 PRO HD2 H 3.912 0.020 2 271 32 32 PRO HD3 H 3.799 0.020 2 272 32 32 PRO C C 179.873 0.400 1 273 33 33 GLU N N 117.779 0.400 1 274 33 33 GLU H H 7.209 0.020 1 275 33 33 GLU CA C 58.903 0.400 1 276 33 33 GLU HA H 4.072 0.020 1 277 33 33 GLU CB C 30.881 0.400 1 278 33 33 GLU HB2 H 1.883 0.020 2 279 33 33 GLU HB3 H 2.317 0.020 2 280 33 33 GLU CG C 37.358 0.400 1 281 33 33 GLU HG2 H 2.323 0.020 2 282 33 33 GLU HG3 H 2.233 0.020 2 283 33 33 GLU C C 179.538 0.400 1 284 34 34 ARG N N 121.670 0.400 1 285 34 34 ARG H H 8.732 0.020 1 286 34 34 ARG CA C 59.866 0.400 1 287 34 34 ARG HA H 3.789 0.020 1 288 34 34 ARG CB C 29.955 0.400 1 289 34 34 ARG HB2 H 1.938 0.020 2 290 34 34 ARG HB3 H 1.859 0.020 2 291 34 34 ARG CG C 28.147 0.400 1 292 34 34 ARG HG2 H 1.342 0.020 2 293 34 34 ARG HG3 H 1.586 0.020 2 294 34 34 ARG CD C 43.100 0.400 1 295 34 34 ARG HD2 H 3.545 0.020 2 296 34 34 ARG HD3 H 3.269 0.020 2 297 34 34 ARG C C 177.165 0.400 1 298 35 35 ALA N N 120.967 0.400 1 299 35 35 ALA H H 8.152 0.020 1 300 35 35 ALA CA C 55.190 0.400 1 301 35 35 ALA HA H 3.981 0.020 1 302 35 35 ALA HB H 1.486 0.020 1 303 35 35 ALA CB C 17.885 0.400 1 304 35 35 ALA C C 180.089 0.400 1 305 36 36 HIS N N 118.295 0.400 1 306 36 36 HIS H H 7.990 0.020 1 307 36 36 HIS CA C 59.410 0.400 1 308 36 36 HIS HA H 4.317 0.020 1 309 36 36 HIS CB C 30.634 0.400 1 310 36 36 HIS HB2 H 3.188 0.020 2 311 36 36 HIS HB3 H 3.188 0.020 2 312 36 36 HIS CD2 C 119.735 0.400 1 313 36 36 HIS HD2 H 7.047 0.020 1 314 36 36 HIS C C 177.069 0.400 1 315 37 37 LEU N N 120.686 0.400 1 316 37 37 LEU H H 8.067 0.020 1 317 37 37 LEU CA C 57.843 0.400 1 318 37 37 LEU HA H 4.060 0.020 1 319 37 37 LEU CB C 42.651 0.400 1 320 37 37 LEU HB2 H 1.664 0.020 2 321 37 37 LEU HB3 H 1.732 0.020 2 322 37 37 LEU CG C 26.770 0.400 1 323 37 37 LEU HG H 1.560 0.020 1 324 37 37 LEU HD1 H 0.963 0.020 2 325 37 37 LEU HD2 H 0.918 0.020 2 326 37 37 LEU CD1 C 24.233 0.400 1 327 37 37 LEU CD2 C 27.313 0.400 1 328 37 37 LEU C C 177.980 0.400 1 329 38 38 ALA N N 119.326 0.400 1 330 38 38 ALA H H 8.436 0.020 1 331 38 38 ALA CA C 55.883 0.400 1 332 38 38 ALA HA H 3.613 0.020 1 333 38 38 ALA HB H 1.345 0.020 1 334 38 38 ALA CB C 17.519 0.400 1 335 38 38 ALA C C 179.107 0.400 1 336 39 39 LYS N N 116.420 0.400 1 337 39 39 LYS H H 7.674 0.020 1 338 39 39 LYS CA C 59.025 0.400 1 339 39 39 LYS HA H 4.082 0.020 1 340 39 39 LYS CB C 32.119 0.400 1 341 39 39 LYS HB2 H 1.922 0.020 2 342 39 39 LYS HB3 H 1.924 0.020 2 343 39 39 LYS CG C 24.824 0.400 1 344 39 39 LYS HG2 H 1.430 0.020 2 345 39 39 LYS HG3 H 1.545 0.020 2 346 39 39 LYS CD C 28.780 0.400 1 347 39 39 LYS HD2 H 1.694 0.020 2 348 39 39 LYS HD3 H 1.694 0.020 2 349 39 39 LYS CE C 41.780 0.400 1 350 39 39 LYS HE2 H 2.981 0.020 2 351 39 39 LYS HE3 H 2.981 0.020 2 352 39 39 LYS C C 179.897 0.400 1 353 40 40 ASN N N 117.686 0.400 1 354 40 40 ASN H H 8.018 0.020 1 355 40 40 ASN CA C 55.842 0.400 1 356 40 40 ASN HA H 4.372 0.020 1 357 40 40 ASN CB C 38.333 0.400 1 358 40 40 ASN HB2 H 2.763 0.020 2 359 40 40 ASN HB3 H 2.700 0.020 2 360 40 40 ASN ND2 N 110.971 0.400 1 361 40 40 ASN HD21 H 7.290 0.020 2 362 40 40 ASN HD22 H 6.524 0.020 2 363 40 40 ASN C C 176.734 0.400 1 364 41 41 LEU N N 116.045 0.400 1 365 41 41 LEU H H 8.057 0.020 1 366 41 41 LEU CA C 54.536 0.400 1 367 41 41 LEU HA H 4.340 0.020 1 368 41 41 LEU CB C 42.537 0.400 1 369 41 41 LEU HB2 H 1.617 0.020 2 370 41 41 LEU HB3 H 1.427 0.020 2 371 41 41 LEU CG C 26.770 0.400 1 372 41 41 LEU HG H 1.867 0.020 1 373 41 41 LEU HD1 H 0.719 0.020 2 374 41 41 LEU HD2 H 0.749 0.020 2 375 41 41 LEU CD1 C 26.104 0.400 1 376 41 41 LEU CD2 C 22.707 0.400 1 377 41 41 LEU C C 175.991 0.400 1 378 42 42 LYS N N 117.733 0.400 1 379 42 42 LYS H H 7.904 0.020 1 380 42 42 LYS CA C 57.598 0.400 1 381 42 42 LYS HA H 3.980 0.020 1 382 42 42 LYS CB C 28.293 0.400 1 383 42 42 LYS HB2 H 1.890 0.020 2 384 42 42 LYS HB3 H 2.153 0.020 2 385 42 42 LYS CG C 24.910 0.400 1 386 42 42 LYS HG2 H 1.355 0.020 2 387 42 42 LYS HG3 H 1.355 0.020 2 388 42 42 LYS CD C 29.040 0.400 1 389 42 42 LYS HD2 H 1.720 0.020 2 390 42 42 LYS HD3 H 1.660 0.020 2 391 42 42 LYS CE C 42.113 0.400 1 392 42 42 LYS HE2 H 3.018 0.020 2 393 42 42 LYS HE3 H 3.018 0.020 2 394 42 42 LYS C C 175.008 0.400 1 395 43 43 LEU N N 119.561 0.400 1 396 43 43 LEU H H 8.328 0.020 1 397 43 43 LEU CA C 52.536 0.400 1 398 43 43 LEU HA H 4.868 0.020 1 399 43 43 LEU CB C 47.680 0.400 1 400 43 43 LEU HB2 H 1.226 0.020 2 401 43 43 LEU HB3 H 1.603 0.020 2 402 43 43 LEU CG C 26.438 0.400 1 403 43 43 LEU HG H 1.471 0.020 1 404 43 43 LEU HD1 H 0.655 0.020 2 405 43 43 LEU HD2 H 0.854 0.020 2 406 43 43 LEU CD1 C 27.600 0.400 1 407 43 43 LEU CD2 C 24.313 0.400 1 408 43 43 LEU C C 176.686 0.400 1 409 44 44 THR N N 109.641 0.400 1 410 44 44 THR H H 8.838 0.020 1 411 44 44 THR CA C 60.292 0.400 1 412 44 44 THR HA H 4.653 0.020 1 413 44 44 THR CB C 70.740 0.400 1 414 44 44 THR HB H 4.784 0.020 1 415 44 44 THR HG2 H 1.283 0.020 1 416 44 44 THR CG2 C 21.702 0.400 1 417 44 44 THR C C 176.351 0.400 1 418 45 45 GLU N N 121.295 0.400 1 419 45 45 GLU H H 9.240 0.020 1 420 45 45 GLU CA C 61.076 0.400 1 421 45 45 GLU HA H 3.642 0.020 1 422 45 45 GLU CB C 29.231 0.400 1 423 45 45 GLU HB2 H 2.044 0.020 2 424 45 45 GLU HB3 H 2.046 0.020 2 425 45 45 GLU CG C 37.976 0.400 1 426 45 45 GLU HG2 H 2.398 0.020 2 427 45 45 GLU HG3 H 2.071 0.020 2 428 45 45 GLU C C 178.627 0.400 1 429 46 46 THR N N 115.248 0.400 1 430 46 46 THR H H 8.143 0.020 1 431 46 46 THR CA C 66.495 0.400 1 432 46 46 THR HA H 3.903 0.020 1 433 46 46 THR CB C 68.821 0.400 1 434 46 46 THR HB H 4.060 0.020 1 435 46 46 THR HG2 H 1.251 0.020 1 436 46 46 THR CG2 C 21.983 0.400 1 437 46 46 THR C C 175.128 0.400 1 438 47 47 GLN N N 120.264 0.400 1 439 47 47 GLN H H 8.052 0.020 1 440 47 47 GLN CA C 59.662 0.400 1 441 47 47 GLN HA H 3.958 0.020 1 442 47 47 GLN CB C 29.956 0.400 1 443 47 47 GLN HB2 H 2.581 0.020 2 444 47 47 GLN HB3 H 1.826 0.020 2 445 47 47 GLN CG C 35.627 0.400 1 446 47 47 GLN HG2 H 2.548 0.020 2 447 47 47 GLN HG3 H 2.403 0.020 2 448 47 47 GLN NE2 N 112.233 0.400 1 449 47 47 GLN HE21 H 6.907 0.020 2 450 47 47 GLN HE22 H 7.667 0.020 2 451 47 47 GLN C C 179.658 0.400 1 452 48 48 VAL N N 118.717 0.400 1 453 48 48 VAL H H 7.683 0.020 1 454 48 48 VAL CA C 67.457 0.400 1 455 48 48 VAL HA H 3.629 0.020 1 456 48 48 VAL CB C 32.062 0.400 1 457 48 48 VAL HB H 2.164 0.020 1 458 48 48 VAL HG1 H 0.998 0.020 2 459 48 48 VAL HG2 H 0.952 0.020 2 460 48 48 VAL CG1 C 23.571 0.400 1 461 48 48 VAL CG2 C 23.791 0.400 1 462 48 48 VAL C C 176.518 0.400 1 463 49 49 LYS N N 121.108 0.400 1 464 49 49 LYS H H 8.540 0.020 1 465 49 49 LYS CA C 59.984 0.400 1 466 49 49 LYS HA H 4.328 0.020 1 467 49 49 LYS CB C 33.101 0.400 1 468 49 49 LYS HB2 H 2.127 0.020 2 469 49 49 LYS HB3 H 1.881 0.020 2 470 49 49 LYS CG C 24.910 0.400 1 471 49 49 LYS HG2 H 1.571 0.020 2 472 49 49 LYS HG3 H 1.398 0.020 2 473 49 49 LYS CD C 29.385 0.400 1 474 49 49 LYS HD2 H 1.703 0.020 2 475 49 49 LYS HD3 H 1.702 0.020 2 476 49 49 LYS CE C 42.171 0.400 1 477 49 49 LYS HE2 H 2.979 0.020 2 478 49 49 LYS HE3 H 2.979 0.020 2 479 49 49 LYS C C 179.849 0.400 1 480 50 50 ILE N N 119.983 0.400 1 481 50 50 ILE H H 8.689 0.020 1 482 50 50 ILE CA C 64.046 0.400 1 483 50 50 ILE HA H 3.773 0.020 1 484 50 50 ILE CB C 37.639 0.400 1 485 50 50 ILE HB H 1.936 0.020 1 486 50 50 ILE HG2 H 0.914 0.020 1 487 50 50 ILE CG2 C 17.215 0.400 1 488 50 50 ILE CG1 C 29.134 0.400 1 489 50 50 ILE HG12 H 1.289 0.020 2 490 50 50 ILE HG13 H 1.692 0.020 2 491 50 50 ILE HD1 H 0.797 0.020 1 492 50 50 ILE CD1 C 12.547 0.400 1 493 50 50 ILE C C 177.477 0.400 1 494 51 51 TRP N N 121.670 0.400 1 495 51 51 TRP H H 8.265 0.020 1 496 51 51 TRP CA C 63.117 0.400 1 497 51 51 TRP HA H 4.017 0.020 1 498 51 51 TRP CB C 29.174 0.400 1 499 51 51 TRP HB2 H 3.503 0.020 2 500 51 51 TRP HB3 H 3.291 0.020 2 501 51 51 TRP CD1 C 127.123 0.400 1 502 51 51 TRP CE3 C 121.202 0.400 1 503 51 51 TRP NE1 N 128.495 0.400 1 504 51 51 TRP HD1 H 7.141 0.020 1 505 51 51 TRP HE3 H 6.969 0.020 1 506 51 51 TRP CZ3 C 120.869 0.400 1 507 51 51 TRP CZ2 C 114.117 0.400 1 508 51 51 TRP HE1 H 9.950 0.020 1 509 51 51 TRP HZ3 H 5.718 0.020 1 510 51 51 TRP CH2 C 123.506 0.400 1 511 51 51 TRP HZ2 H 7.250 0.020 1 512 51 51 TRP HH2 H 6.443 0.020 1 513 51 51 TRP C C 179.634 0.400 1 514 52 52 PHE N N 119.279 0.400 1 515 52 52 PHE H H 8.937 0.020 1 516 52 52 PHE CA C 63.312 0.400 1 517 52 52 PHE HA H 3.756 0.020 1 518 52 52 PHE CB C 39.639 0.400 1 519 52 52 PHE HB2 H 3.274 0.020 2 520 52 52 PHE HB3 H 3.531 0.020 2 521 52 52 PHE CD1 C 131.446 0.400 1 522 52 52 PHE HD1 H 7.746 0.020 1 523 52 52 PHE CE1 C 131.873 0.400 1 524 52 52 PHE HE1 H 7.529 0.020 1 525 52 52 PHE CZ C 129.075 0.400 1 526 52 52 PHE HZ H 7.178 0.020 1 527 52 52 PHE CE2 C 132.278 0.400 1 528 52 52 PHE HE2 H 7.529 0.020 1 529 52 52 PHE CD2 C 131.979 0.400 1 530 52 52 PHE HD2 H 7.746 0.020 1 531 52 52 PHE C C 177.429 0.400 1 532 53 53 GLN N N 118.154 0.400 1 533 53 53 GLN H H 8.034 0.020 1 534 53 53 GLN CA C 59.149 0.400 1 535 53 53 GLN HA H 3.937 0.020 1 536 53 53 GLN CB C 28.538 0.400 1 537 53 53 GLN HB2 H 2.150 0.020 2 538 53 53 GLN HB3 H 2.218 0.020 2 539 53 53 GLN CG C 33.720 0.400 1 540 53 53 GLN HG2 H 2.438 0.020 2 541 53 53 GLN HG3 H 2.368 0.020 2 542 53 53 GLN NE2 N 111.447 0.400 1 543 53 53 GLN HE21 H 6.932 0.020 2 544 53 53 GLN HE22 H 7.502 0.020 2 545 53 53 GLN C C 178.316 0.400 1 546 54 54 ASN N N 117.451 0.400 1 547 54 54 ASN H H 8.294 0.020 1 548 54 54 ASN CA C 55.108 0.400 1 549 54 54 ASN HA H 4.355 0.020 1 550 54 54 ASN CB C 37.681 0.400 1 551 54 54 ASN HB2 H 2.475 0.020 2 552 54 54 ASN HB3 H 2.649 0.020 2 553 54 54 ASN ND2 N 112.830 0.400 1 554 54 54 ASN HD21 H 7.487 0.020 2 555 54 54 ASN HD22 H 6.906 0.020 2 556 54 54 ASN C C 177.261 0.400 1 557 55 55 ARG N N 122.795 0.400 1 558 55 55 ARG H H 8.075 0.020 1 559 55 55 ARG CA C 56.087 0.400 1 560 55 55 ARG HA H 3.431 0.020 1 561 55 55 ARG CB C 28.406 0.400 1 562 55 55 ARG HB2 H 0.650 0.020 2 563 55 55 ARG HB3 H -0.278 0.020 2 564 55 55 ARG CG C 23.540 0.400 1 565 55 55 ARG HG2 H -0.283 0.020 2 566 55 55 ARG HG3 H -0.438 0.020 2 567 55 55 ARG CD C 40.778 0.400 1 568 55 55 ARG HD2 H 2.407 0.020 2 569 55 55 ARG HD3 H 1.971 0.020 2 570 55 55 ARG C C 178.891 0.400 1 571 56 56 ARG N N 117.779 0.400 1 572 56 56 ARG H H 7.746 0.020 1 573 56 56 ARG CA C 59.512 0.400 1 574 56 56 ARG HA H 4.080 0.020 1 575 56 56 ARG CB C 31.630 0.400 1 576 56 56 ARG HB2 H 1.721 0.020 2 577 56 56 ARG HB3 H 2.036 0.020 2 578 56 56 ARG CG C 30.335 0.400 1 579 56 56 ARG HG2 H 2.198 0.020 2 580 56 56 ARG HG3 H 1.453 0.020 2 581 56 56 ARG CD C 43.431 0.400 1 582 56 56 ARG HD2 H 2.712 0.020 2 583 56 56 ARG HD3 H 2.843 0.020 2 584 56 56 ARG C C 178.292 0.400 1 585 57 57 TYR N N 119.045 0.400 1 586 57 57 TYR H H 7.564 0.020 1 587 57 57 TYR CA C 59.025 0.400 1 588 57 57 TYR HA H 4.438 0.020 1 589 57 57 TYR CB C 37.924 0.400 1 590 57 57 TYR HB2 H 3.094 0.020 2 591 57 57 TYR HB3 H 3.166 0.020 2 592 57 57 TYR CD1 C 132.894 0.400 1 593 57 57 TYR HD1 H 7.145 0.020 1 594 57 57 TYR CE1 C 117.877 0.400 1 595 57 57 TYR HE1 H 6.815 0.020 1 596 57 57 TYR CE2 C 117.910 0.400 1 597 57 57 TYR HE2 H 6.815 0.020 1 598 57 57 TYR CD2 C 133.123 0.400 1 599 57 57 TYR HD2 H 7.145 0.020 1 600 57 57 TYR C C 176.662 0.400 1 601 58 58 LYS N N 119.795 0.400 1 602 58 58 LYS H H 7.679 0.020 1 603 58 58 LYS CA C 57.477 0.400 1 604 58 58 LYS HA H 4.108 0.020 1 605 58 58 LYS CB C 32.425 0.400 1 606 58 58 LYS HB2 H 1.802 0.020 2 607 58 58 LYS HB3 H 1.731 0.020 2 608 58 58 LYS CG C 24.851 0.400 1 609 58 58 LYS HG2 H 1.360 0.020 2 610 58 58 LYS HG3 H 1.454 0.020 2 611 58 58 LYS CD C 29.097 0.400 1 612 58 58 LYS HD2 H 1.540 0.020 2 613 58 58 LYS HD3 H 1.540 0.020 2 614 58 58 LYS CE C 41.780 0.400 1 615 58 58 LYS HE2 H 2.870 0.020 2 616 58 58 LYS HE3 H 2.870 0.020 2 617 58 58 LYS C C 176.974 0.400 1 618 59 59 THR N N 113.002 0.400 1 619 59 59 THR H H 7.724 0.020 1 620 59 59 THR CA C 62.827 0.400 1 621 59 59 THR HA H 4.261 0.020 1 622 59 59 THR CB C 69.657 0.400 1 623 59 59 THR HB H 4.282 0.020 1 624 59 59 THR HG2 H 1.294 0.020 1 625 59 59 THR CG2 C 21.730 0.400 1 626 59 59 THR C C 174.600 0.400 1 627 60 60 LYS N N 123.029 0.400 1 628 60 60 LYS H H 7.983 0.020 1 629 60 60 LYS CA C 56.500 0.400 1 630 60 60 LYS HA H 4.264 0.020 1 631 60 60 LYS CB C 32.758 0.400 1 632 60 60 LYS HB2 H 1.835 0.020 2 633 60 60 LYS HB3 H 1.778 0.020 2 634 60 60 LYS CG C 24.658 0.400 1 635 60 60 LYS HG2 H 1.426 0.020 2 636 60 60 LYS HG3 H 1.427 0.020 2 637 60 60 LYS CD C 28.780 0.400 1 638 60 60 LYS HD2 H 1.672 0.020 2 639 60 60 LYS HD3 H 1.670 0.020 2 640 60 60 LYS CE C 42.171 0.400 1 641 60 60 LYS HE2 H 2.982 0.020 2 642 60 60 LYS HE3 H 2.983 0.020 2 643 60 60 LYS C C 176.460 0.400 1 644 61 61 ARG N N 121.811 0.400 1 645 61 61 ARG H H 8.173 0.020 1 646 61 61 ARG CA C 56.374 0.400 1 647 61 61 ARG HA H 4.243 0.020 1 648 61 61 ARG CB C 30.538 0.400 1 649 61 61 ARG HB2 H 1.811 0.020 2 650 61 61 ARG HB3 H 1.727 0.020 2 651 61 61 ARG CG C 27.310 0.400 1 652 61 61 ARG HG2 H 1.596 0.020 2 653 61 61 ARG HG3 H 1.595 0.020 2 654 61 61 ARG CD C 43.258 0.400 1 655 61 61 ARG HD2 H 3.141 0.020 2 656 61 61 ARG HD3 H 3.141 0.020 2 657 61 61 ARG C C 176.111 0.400 1 658 62 62 LYS N N 122.701 0.400 1 659 62 62 LYS H H 8.301 0.020 1 660 62 62 LYS CA C 56.574 0.400 1 661 62 62 LYS HA H 4.259 0.020 1 662 62 62 LYS CB C 32.701 0.400 1 663 62 62 LYS HB2 H 1.828 0.020 2 664 62 62 LYS HB3 H 1.775 0.020 2 665 62 62 LYS CG C 24.910 0.400 1 666 62 62 LYS HG2 H 1.433 0.020 2 667 62 62 LYS HG3 H 1.433 0.020 2 668 62 62 LYS CD C 28.780 0.400 1 669 62 62 LYS HD2 H 1.670 0.020 2 670 62 62 LYS HD3 H 1.669 0.020 2 671 62 62 LYS CE C 42.113 0.400 1 672 62 62 LYS HE2 H 2.983 0.020 2 673 62 62 LYS HE3 H 2.986 0.020 2 674 62 62 LYS C C 176.279 0.400 1 675 63 63 GLN N N 121.717 0.400 1 676 63 63 GLN H H 8.375 0.020 1 677 63 63 GLN CA C 55.965 0.400 1 678 63 63 GLN HA H 4.314 0.020 1 679 63 63 GLN CB C 29.354 0.400 1 680 63 63 GLN HB2 H 2.077 0.020 2 681 63 63 GLN HB3 H 1.996 0.020 2 682 63 63 GLN CG C 33.720 0.400 1 683 63 63 GLN HG2 H 2.358 0.020 2 684 63 63 GLN HG3 H 2.360 0.020 2 685 63 63 GLN NE2 N 112.442 0.400 1 686 63 63 GLN HE21 H 7.532 0.020 2 687 63 63 GLN HE22 H 6.870 0.020 2 688 63 63 GLN C C 175.679 0.400 1 689 64 64 LEU N N 123.545 0.400 1 690 64 64 LEU H H 8.384 0.020 1 691 64 64 LEU CA C 55.190 0.400 1 692 64 64 LEU HA H 4.374 0.020 1 693 64 64 LEU CB C 42.383 0.400 1 694 64 64 LEU HB2 H 1.661 0.020 2 695 64 64 LEU HB3 H 1.617 0.020 2 696 64 64 LEU CG C 26.770 0.400 1 697 64 64 LEU HG H 1.639 0.020 1 698 64 64 LEU HD1 H 0.906 0.020 2 699 64 64 LEU HD2 H 0.848 0.020 2 700 64 64 LEU CD1 C 25.325 0.400 1 701 64 64 LEU CD2 C 23.254 0.400 1 702 64 64 LEU C C 177.453 0.400 1 703 65 65 SER N N 116.279 0.400 1 704 65 65 SER H H 8.354 0.020 1 705 65 65 SER CA C 58.536 0.400 1 706 65 65 SER HA H 4.435 0.020 1 707 65 65 SER CB C 63.719 0.400 1 708 65 65 SER HB2 H 3.930 0.020 2 709 65 65 SER HB3 H 3.868 0.020 2 710 65 65 SER C C 174.530 0.400 1 711 66 66 SER N N 117.123 0.400 1 712 66 66 SER H H 8.280 0.020 1 713 66 66 SER CA C 58.332 0.400 1 714 66 66 SER HA H 4.451 0.020 1 715 66 66 SER CB C 63.842 0.400 1 716 66 66 SER HB2 H 3.942 0.020 2 717 66 66 SER HB3 H 3.867 0.020 2 718 66 66 SER C C 174.530 0.400 1 719 67 67 GLU N N 122.420 0.400 1 720 67 67 GLU H H 8.399 0.020 1 721 67 67 GLU CA C 56.577 0.400 1 722 67 67 GLU HA H 4.313 0.020 1 723 67 67 GLU CB C 29.909 0.400 1 724 67 67 GLU HB2 H 2.086 0.020 2 725 67 67 GLU HB3 H 1.959 0.020 2 726 67 67 GLU CG C 36.010 0.400 1 727 67 67 GLU HG2 H 2.280 0.020 2 728 67 67 GLU HG3 H 2.245 0.020 2 729 67 67 GLU C C 176.159 0.400 1 730 68 68 LEU N N 122.186 0.400 1 731 68 68 LEU H H 8.143 0.020 1 732 68 68 LEU CA C 54.945 0.400 1 733 68 68 LEU HA H 4.363 0.020 1 734 68 68 LEU CB C 42.415 0.400 1 735 68 68 LEU HB2 H 1.636 0.020 2 736 68 68 LEU HB3 H 1.631 0.020 2 737 68 68 LEU CG C 26.770 0.400 1 738 68 68 LEU HG H 1.615 0.020 1 739 68 68 LEU HD1 H 0.861 0.020 2 740 68 68 LEU HD2 H 0.858 0.020 2 741 68 68 LEU CD1 C 23.202 0.400 1 742 68 68 LEU CD2 C 23.149 0.400 1 743 68 68 LEU C C 176.638 0.400 1 744 69 69 GLY N N 115.342 0.400 1 745 69 69 GLY H H 7.900 0.020 1 746 69 69 GLY CA C 45.950 0.400 1 747 69 69 GLY HA2 H 3.745 0.020 2 748 69 69 GLY HA3 H 3.746 0.020 2 stop_ save_