save_polymer _Saveframe_category monomeric_polymer ############################## # Polymer residue sequence # ############################## _Residue_count 91 _Mol_residue_sequence ; MGHHHHHHSHMAKPTARGEA GSRDERRALAMKIPFPTDKI VNLPVDDFNELLARYPLTES QLALVRDIRRRGKNKVAAQN YRKRKLETIVQ ; 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 ALA 13 13 LYS 14 14 PRO 16 16 ALA 17 17 ARG 18 18 GLY 19 19 GLU 21 21 GLY 22 22 SER 23 23 ARG 24 24 ASP 26 26 ARG 27 27 ARG 28 28 ALA 29 29 LEU 31 31 MET 32 32 LYS 33 33 ILE 34 34 PRO 36 36 PRO 37 37 THR 38 38 ASP 39 39 LYS 41 41 VAL 42 42 ASN 43 43 LEU 44 44 PRO 46 46 ASP 47 47 ASP 48 48 PHE 49 49 ASN 51 51 LEU 52 52 LEU 53 53 ALA 54 54 ARG 56 56 PRO 57 57 LEU 58 58 THR 59 59 GLU 61 61 GLN 62 62 LEU 63 63 ALA 64 64 LEU 66 66 ARG 67 67 ASP 68 68 ILE 69 69 ARG 71 71 ARG 72 72 GLY 73 73 LYS 74 74 ASN 76 76 VAL 77 77 ALA 78 78 ALA 79 79 GLN 81 81 TYR 82 82 ARG 83 83 LYS 84 84 ARG 86 86 LEU 87 87 GLU 88 88 THR 89 89 ILE 91 91 GLN 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 11 11 MET CA C 55.132 0.400 1 2 11 11 MET HA H 4.376 0.020 1 3 11 11 MET CB C 32.872 0.400 1 4 11 11 MET HB2 H 1.884 0.020 2 5 11 11 MET HB3 H 2.006 0.020 2 6 11 11 MET CG C 31.509 0.400 1 7 11 11 MET HG2 H 2.449 0.020 2 8 11 11 MET HG3 H 2.389 0.020 2 9 12 12 ALA N N 125.712 0.400 1 10 12 12 ALA H H 8.239 0.020 1 11 12 12 ALA CA C 52.271 0.400 1 12 12 12 ALA HA H 4.258 0.020 1 13 12 12 ALA HB H 1.332 0.020 1 14 12 12 ALA CB C 19.072 0.400 1 15 13 13 LYS N N 122.130 0.400 1 16 13 13 LYS H H 8.273 0.020 1 17 13 13 LYS CA C 54.126 0.400 1 18 13 13 LYS HA H 4.539 0.020 1 19 13 13 LYS CB C 32.385 0.400 1 20 13 13 LYS HB2 H 1.789 0.020 2 21 13 13 LYS HB3 H 1.681 0.020 2 22 13 13 LYS CG C 24.460 0.400 1 23 13 13 LYS HG2 H 1.423 0.020 2 24 13 13 LYS HG3 H 1.456 0.020 2 25 13 13 LYS CD C 28.780 0.400 1 26 13 13 LYS HD2 H 1.665 0.020 2 27 13 13 LYS HD3 H 1.665 0.020 2 28 13 13 LYS CE C 41.890 0.400 1 29 13 13 LYS HE2 H 2.966 0.020 2 30 13 13 LYS HE3 H 2.965 0.020 2 31 14 14 PRO CD C 50.514 0.400 1 32 14 14 PRO CA C 63.044 0.400 1 33 14 14 PRO HA H 4.454 0.020 1 34 14 14 PRO CB C 31.852 0.400 1 35 14 14 PRO HB2 H 2.274 0.020 2 36 14 14 PRO HB3 H 1.886 0.020 2 37 14 14 PRO CG C 27.140 0.400 1 38 14 14 PRO HG2 H 1.984 0.020 2 39 14 14 PRO HG3 H 1.984 0.020 2 40 14 14 PRO HD2 H 3.785 0.020 2 41 14 14 PRO HD3 H 3.619 0.020 2 42 15 15 THR N N 114.708 0.400 1 43 15 15 THR H H 8.204 0.020 1 44 15 15 THR CA C 61.705 0.400 1 45 15 15 THR HA H 4.246 0.020 1 46 15 15 THR CB C 69.963 0.400 1 47 15 15 THR HB H 4.167 0.020 1 48 15 15 THR HG2 H 1.192 0.020 1 49 15 15 THR CG2 C 21.440 0.400 1 50 16 16 ALA N N 126.986 0.400 1 51 16 16 ALA H H 8.355 0.020 1 52 16 16 ALA CA C 52.271 0.400 1 53 16 16 ALA HA H 4.310 0.020 1 54 16 16 ALA HB H 1.359 0.020 1 55 16 16 ALA CB C 19.087 0.400 1 56 17 17 ARG N N 120.729 0.400 1 57 17 17 ARG H H 8.378 0.020 1 58 17 17 ARG CA C 56.255 0.400 1 59 17 17 ARG HA H 4.278 0.020 1 60 17 17 ARG CB C 30.610 0.400 1 61 17 17 ARG HB2 H 1.839 0.020 2 62 17 17 ARG HB3 H 1.743 0.020 2 63 17 17 ARG CG C 27.100 0.400 1 64 17 17 ARG HG2 H 1.618 0.020 2 65 17 17 ARG HG3 H 1.619 0.020 2 66 17 17 ARG CD C 43.096 0.400 1 67 17 17 ARG HD2 H 3.160 0.020 2 68 17 17 ARG HD3 H 3.160 0.020 2 69 18 18 GLY N N 110.026 0.400 1 70 18 18 GLY H H 8.402 0.020 1 71 18 18 GLY CA C 45.089 0.400 1 72 18 18 GLY HA2 H 3.927 0.020 2 73 18 18 GLY HA3 H 3.928 0.020 2 74 19 19 GLU N N 120.915 0.400 1 75 19 19 GLU H H 8.325 0.020 1 76 19 19 GLU CA C 56.281 0.400 1 77 19 19 GLU HA H 4.257 0.020 1 78 19 19 GLU CB C 30.045 0.400 1 79 19 19 GLU HB2 H 1.909 0.020 2 80 19 19 GLU HB3 H 2.038 0.020 2 81 19 19 GLU CG C 36.010 0.400 1 82 19 19 GLU HG2 H 2.229 0.020 2 83 19 19 GLU HG3 H 2.229 0.020 2 84 20 20 ALA N N 124.954 0.400 1 85 20 20 ALA H H 8.451 0.020 1 86 20 20 ALA CA C 52.935 0.400 1 87 20 20 ALA HA H 4.261 0.020 1 88 20 20 ALA HB H 1.377 0.020 1 89 20 20 ALA CB C 18.751 0.400 1 90 21 21 GLY N N 107.772 0.400 1 91 21 21 GLY H H 8.387 0.020 1 92 21 21 GLY CA C 45.260 0.400 1 93 21 21 GLY HA2 H 3.951 0.020 2 94 21 21 GLY HA3 H 3.950 0.020 2 95 22 22 SER N N 115.994 0.400 1 96 22 22 SER H H 8.211 0.020 1 97 22 22 SER CA C 58.326 0.400 1 98 22 22 SER HA H 4.447 0.020 1 99 22 22 SER CB C 63.889 0.400 1 100 22 22 SER HB2 H 4.010 0.020 2 101 22 22 SER HB3 H 3.893 0.020 2 102 23 23 ARG N N 122.994 0.400 1 103 23 23 ARG H H 8.494 0.020 1 104 23 23 ARG CA C 58.010 0.400 1 105 23 23 ARG HA H 4.126 0.020 1 106 23 23 ARG CB C 29.940 0.400 1 107 23 23 ARG HB2 H 1.846 0.020 2 108 23 23 ARG HB3 H 1.847 0.020 2 109 23 23 ARG CG C 27.310 0.400 1 110 23 23 ARG HG2 H 1.670 0.020 2 111 23 23 ARG HG3 H 1.541 0.020 2 112 23 23 ARG CD C 43.100 0.400 1 113 23 23 ARG HD2 H 3.165 0.020 2 114 23 23 ARG HD3 H 3.165 0.020 2 115 24 24 ASP N N 120.230 0.400 1 116 24 24 ASP H H 8.339 0.020 1 117 24 24 ASP CA C 56.180 0.400 1 118 24 24 ASP HA H 4.486 0.020 1 119 24 24 ASP CB C 40.548 0.400 1 120 24 24 ASP HB2 H 2.555 0.020 2 121 24 24 ASP HB3 H 2.588 0.020 2 122 25 25 GLU N N 121.353 0.400 1 123 25 25 GLU H H 8.201 0.020 1 124 25 25 GLU CA C 58.478 0.400 1 125 25 25 GLU HA H 4.088 0.020 1 126 25 25 GLU CB C 29.323 0.400 1 127 25 25 GLU HB2 H 2.053 0.020 2 128 25 25 GLU HB3 H 2.054 0.020 2 129 25 25 GLU CG C 36.066 0.400 1 130 25 25 GLU HG2 H 2.257 0.020 2 131 25 25 GLU HG3 H 2.300 0.020 2 132 26 26 ARG N N 119.286 0.400 1 133 26 26 ARG H H 8.131 0.020 1 134 26 26 ARG CA C 58.591 0.400 1 135 26 26 ARG HA H 4.068 0.020 1 136 26 26 ARG CB C 29.988 0.400 1 137 26 26 ARG HB2 H 1.879 0.020 2 138 26 26 ARG HB3 H 1.880 0.020 2 139 26 26 ARG CG C 27.487 0.400 1 140 26 26 ARG HG2 H 1.621 0.020 2 141 26 26 ARG HG3 H 1.748 0.020 2 142 26 26 ARG CD C 43.100 0.400 1 143 26 26 ARG HD2 H 3.174 0.020 2 144 26 26 ARG HD3 H 3.175 0.020 2 145 27 27 ARG N N 120.592 0.400 1 146 27 27 ARG H H 8.178 0.020 1 147 27 27 ARG CA C 58.288 0.400 1 148 27 27 ARG HA H 4.115 0.020 1 149 27 27 ARG CB C 30.195 0.400 1 150 27 27 ARG HB2 H 1.852 0.020 2 151 27 27 ARG HB3 H 1.853 0.020 2 152 27 27 ARG CG C 27.310 0.400 1 153 27 27 ARG HG2 H 1.631 0.020 2 154 27 27 ARG HG3 H 1.632 0.020 2 155 27 27 ARG CD C 43.100 0.400 1 156 27 27 ARG HD2 H 3.169 0.020 2 157 27 27 ARG HD3 H 3.169 0.020 2 158 28 28 ALA N N 122.472 0.400 1 159 28 28 ALA H H 8.213 0.020 1 160 28 28 ALA CA C 54.217 0.400 1 161 28 28 ALA HA H 3.957 0.020 1 162 28 28 ALA HB H 1.338 0.020 1 163 28 28 ALA CB C 17.804 0.400 1 164 29 29 LEU N N 119.220 0.400 1 165 29 29 LEU H H 7.951 0.020 1 166 29 29 LEU CA C 56.707 0.400 1 167 29 29 LEU HA H 4.160 0.020 1 168 29 29 LEU CB C 41.885 0.400 1 169 29 29 LEU HB2 H 1.716 0.020 2 170 29 29 LEU HB3 H 1.580 0.020 2 171 29 29 LEU CG C 26.821 0.400 1 172 29 29 LEU HG H 1.674 0.020 1 173 29 29 LEU HD1 H 0.880 0.020 2 174 29 29 LEU HD2 H 0.844 0.020 2 175 29 29 LEU CD1 C 24.482 0.400 1 176 29 29 LEU CD2 C 23.571 0.400 1 177 30 30 ALA N N 123.053 0.400 1 178 30 30 ALA H H 7.982 0.020 1 179 30 30 ALA CA C 53.986 0.400 1 180 30 30 ALA HA H 4.135 0.020 1 181 30 30 ALA HB H 1.445 0.020 1 182 30 30 ALA CB C 18.147 0.400 1 183 31 31 MET N N 115.228 0.400 1 184 31 31 MET H H 7.706 0.020 1 185 31 31 MET CA C 55.002 0.400 1 186 31 31 MET HA H 4.420 0.020 1 187 31 31 MET CB C 32.663 0.400 1 188 31 31 MET HB2 H 1.935 0.020 2 189 31 31 MET HB3 H 2.070 0.020 2 190 31 31 MET CG C 32.569 0.400 1 191 31 31 MET HG2 H 2.625 0.020 2 192 31 31 MET HG3 H 2.525 0.020 2 193 31 31 MET HE H 1.989 0.020 1 194 31 31 MET CE C 16.731 0.400 1 195 32 32 LYS N N 118.728 0.400 1 196 32 32 LYS H H 7.940 0.020 1 197 32 32 LYS CA C 56.127 0.400 1 198 32 32 LYS HA H 3.976 0.020 1 199 32 32 LYS CB C 30.195 0.400 1 200 32 32 LYS HB2 H 1.773 0.020 2 201 32 32 LYS HB3 H 1.773 0.020 2 202 32 32 LYS CG C 24.596 0.400 1 203 32 32 LYS HG2 H 1.283 0.020 2 204 32 32 LYS HG3 H 1.328 0.020 2 205 32 32 LYS CD C 28.780 0.400 1 206 32 32 LYS HD2 H 1.610 0.020 2 207 32 32 LYS HD3 H 1.612 0.020 2 208 32 32 LYS CE C 41.780 0.400 1 209 32 32 LYS HE2 H 2.952 0.020 2 210 32 32 LYS HE3 H 2.953 0.020 2 211 33 33 ILE N N 120.587 0.400 1 212 33 33 ILE H H 7.905 0.020 1 213 33 33 ILE CA C 56.856 0.400 1 214 33 33 ILE HA H 3.888 0.020 1 215 33 33 ILE CB C 36.303 0.400 1 216 33 33 ILE HB H 1.768 0.020 1 217 33 33 ILE HG2 H 0.309 0.020 1 218 33 33 ILE CG2 C 17.041 0.400 1 219 33 33 ILE CG1 C 27.265 0.400 1 220 33 33 ILE HG12 H 1.444 0.020 2 221 33 33 ILE HG13 H 1.220 0.020 2 222 33 33 ILE HD1 H 0.707 0.020 1 223 33 33 ILE CD1 C 10.765 0.400 1 224 34 34 PRO CD C 50.480 0.400 1 225 34 34 PRO CA C 63.873 0.400 1 226 34 34 PRO HA H 4.316 0.020 1 227 34 34 PRO CB C 30.550 0.400 1 228 34 34 PRO HB2 H 1.779 0.020 2 229 34 34 PRO HB3 H 1.873 0.020 2 230 34 34 PRO CG C 26.579 0.400 1 231 34 34 PRO HG2 H 1.759 0.020 2 232 34 34 PRO HG3 H 1.044 0.020 2 233 34 34 PRO HD2 H 2.722 0.020 2 234 34 34 PRO HD3 H 3.542 0.020 2 235 35 35 PHE N N 116.431 0.400 1 236 35 35 PHE H H 6.312 0.020 1 237 35 35 PHE CA C 52.482 0.400 1 238 35 35 PHE HA H 4.992 0.020 1 239 35 35 PHE CB C 38.768 0.400 1 240 35 35 PHE HB2 H 2.851 0.020 2 241 35 35 PHE HB3 H 2.909 0.020 2 242 35 35 PHE CD1 C 132.832 0.400 1 243 35 35 PHE HD1 H 6.652 0.020 1 244 35 35 PHE CE1 C 130.026 0.400 1 245 35 35 PHE HE1 H 6.944 0.020 1 246 35 35 PHE CZ C 128.716 0.400 1 247 35 35 PHE HZ H 6.945 0.020 1 248 35 35 PHE CE2 C 130.026 0.400 1 249 35 35 PHE HE2 H 6.944 0.020 1 250 35 35 PHE CD2 C 132.921 0.400 1 251 35 35 PHE HD2 H 6.652 0.020 1 252 36 36 PRO CD C 50.780 0.400 1 253 36 36 PRO CA C 62.340 0.400 1 254 36 36 PRO HA H 4.607 0.020 1 255 36 36 PRO CB C 32.415 0.400 1 256 36 36 PRO HB2 H 2.124 0.020 2 257 36 36 PRO HB3 H 2.451 0.020 2 258 36 36 PRO CG C 27.605 0.400 1 259 36 36 PRO HG2 H 2.093 0.020 2 260 36 36 PRO HG3 H 2.095 0.020 2 261 36 36 PRO HD2 H 3.871 0.020 2 262 36 36 PRO HD3 H 3.568 0.020 2 263 37 37 THR N N 115.665 0.400 1 264 37 37 THR H H 8.814 0.020 1 265 37 37 THR CA C 64.910 0.400 1 266 37 37 THR HA H 3.935 0.020 1 267 37 37 THR CB C 68.340 0.400 1 268 37 37 THR HB H 4.223 0.020 1 269 37 37 THR HG2 H 1.172 0.020 1 270 37 37 THR CG2 C 22.475 0.400 1 271 38 38 ASP N N 119.494 0.400 1 272 38 38 ASP H H 8.698 0.020 1 273 38 38 ASP CA C 56.691 0.400 1 274 38 38 ASP HA H 4.279 0.020 1 275 38 38 ASP CB C 40.031 0.400 1 276 38 38 ASP HB2 H 2.621 0.020 2 277 38 38 ASP HB3 H 2.622 0.020 2 278 39 39 LYS N N 117.251 0.400 1 279 39 39 LYS H H 7.390 0.020 1 280 39 39 LYS CA C 57.407 0.400 1 281 39 39 LYS HA H 4.250 0.020 1 282 39 39 LYS CB C 32.415 0.400 1 283 39 39 LYS HB2 H 1.854 0.020 2 284 39 39 LYS HB3 H 1.782 0.020 2 285 39 39 LYS CG C 25.348 0.400 1 286 39 39 LYS HG2 H 1.548 0.020 2 287 39 39 LYS HG3 H 1.404 0.020 2 288 39 39 LYS CD C 28.780 0.400 1 289 39 39 LYS HD2 H 1.583 0.020 2 290 39 39 LYS HD3 H 1.582 0.020 2 291 39 39 LYS CE C 41.780 0.400 1 292 39 39 LYS HE2 H 2.976 0.020 2 293 39 39 LYS HE3 H 2.978 0.020 2 294 40 40 ILE N N 115.356 0.400 1 295 40 40 ILE H H 7.242 0.020 1 296 40 40 ILE CA C 64.516 0.400 1 297 40 40 ILE HA H 3.635 0.020 1 298 40 40 ILE CB C 38.153 0.400 1 299 40 40 ILE HB H 2.123 0.020 1 300 40 40 ILE HG2 H 0.930 0.020 1 301 40 40 ILE CG2 C 18.827 0.400 1 302 40 40 ILE CG1 C 28.194 0.400 1 303 40 40 ILE HG12 H 1.904 0.020 2 304 40 40 ILE HG13 H 1.232 0.020 2 305 40 40 ILE HD1 H 1.031 0.020 1 306 40 40 ILE CD1 C 14.276 0.400 1 307 41 41 VAL N N 114.408 0.400 1 308 41 41 VAL H H 7.625 0.020 1 309 41 41 VAL CA C 65.227 0.400 1 310 41 41 VAL HA H 3.580 0.020 1 311 41 41 VAL CB C 32.203 0.400 1 312 41 41 VAL HB H 1.929 0.020 1 313 41 41 VAL HG1 H 0.795 0.020 2 314 41 41 VAL HG2 H 0.935 0.020 2 315 41 41 VAL CG1 C 21.380 0.400 1 316 41 41 VAL CG2 C 22.134 0.400 1 317 42 42 ASN N N 113.334 0.400 1 318 42 42 ASN H H 7.717 0.020 1 319 42 42 ASN CA C 53.882 0.400 1 320 42 42 ASN HA H 4.680 0.020 1 321 42 42 ASN CB C 39.668 0.400 1 322 42 42 ASN HB2 H 2.757 0.020 2 323 42 42 ASN HB3 H 2.759 0.020 2 324 42 42 ASN ND2 N 113.851 0.400 1 325 42 42 ASN HD21 H 7.624 0.020 2 326 42 42 ASN HD22 H 6.937 0.020 2 327 43 43 LEU N N 120.915 0.400 1 328 43 43 LEU H H 7.523 0.020 1 329 43 43 LEU CA C 53.961 0.400 1 330 43 43 LEU HA H 4.531 0.020 1 331 43 43 LEU CB C 42.414 0.400 1 332 43 43 LEU HB2 H 1.724 0.020 2 333 43 43 LEU HB3 H 1.437 0.020 2 334 43 43 LEU CG C 26.770 0.400 1 335 43 43 LEU HG H 1.988 0.020 1 336 43 43 LEU HD1 H 0.829 0.020 2 337 43 43 LEU HD2 H 0.945 0.020 2 338 43 43 LEU CD1 C 26.568 0.400 1 339 43 43 LEU CD2 C 22.805 0.400 1 340 44 44 PRO CD C 50.944 0.400 1 341 44 44 PRO CA C 62.397 0.400 1 342 44 44 PRO HA H 4.566 0.020 1 343 44 44 PRO CB C 32.298 0.400 1 344 44 44 PRO HB2 H 2.480 0.020 2 345 44 44 PRO HB3 H 2.090 0.020 2 346 44 44 PRO CG C 27.946 0.400 1 347 44 44 PRO HG2 H 2.047 0.020 2 348 44 44 PRO HG3 H 2.140 0.020 2 349 44 44 PRO HD2 H 4.037 0.020 2 350 44 44 PRO HD3 H 3.671 0.020 2 351 45 45 VAL N N 122.556 0.400 1 352 45 45 VAL H H 8.620 0.020 1 353 45 45 VAL CA C 66.639 0.400 1 354 45 45 VAL HA H 3.694 0.020 1 355 45 45 VAL CB C 31.701 0.400 1 356 45 45 VAL HB H 2.065 0.020 1 357 45 45 VAL HG1 H 0.986 0.020 2 358 45 45 VAL HG2 H 1.075 0.020 2 359 45 45 VAL CG1 C 19.471 0.400 1 360 45 45 VAL CG2 C 22.094 0.400 1 361 46 46 ASP N N 119.439 0.400 1 362 46 46 ASP H H 8.769 0.020 1 363 46 46 ASP CA C 57.785 0.400 1 364 46 46 ASP HA H 4.492 0.020 1 365 46 46 ASP CB C 39.527 0.400 1 366 46 46 ASP HB2 H 2.698 0.020 2 367 46 46 ASP HB3 H 2.548 0.020 2 368 47 47 ASP N N 119.220 0.400 1 369 47 47 ASP H H 7.267 0.020 1 370 47 47 ASP CA C 56.464 0.400 1 371 47 47 ASP HA H 4.387 0.020 1 372 47 47 ASP CB C 40.935 0.400 1 373 47 47 ASP HB2 H 2.665 0.020 2 374 47 47 ASP HB3 H 2.590 0.020 2 375 48 48 PHE N N 123.376 0.400 1 376 48 48 PHE H H 8.773 0.020 1 377 48 48 PHE CA C 60.967 0.400 1 378 48 48 PHE HA H 4.028 0.020 1 379 48 48 PHE CB C 38.682 0.400 1 380 48 48 PHE HB2 H 3.124 0.020 2 381 48 48 PHE HB3 H 2.880 0.020 2 382 48 48 PHE CD1 C 131.499 0.400 1 383 48 48 PHE HD1 H 7.066 0.020 1 384 48 48 PHE CE1 C 131.067 0.400 1 385 48 48 PHE HE1 H 7.154 0.020 1 386 48 48 PHE CZ C 128.893 0.400 1 387 48 48 PHE HZ H 6.947 0.020 1 388 48 48 PHE CE2 C 131.090 0.400 1 389 48 48 PHE HE2 H 7.154 0.020 1 390 48 48 PHE CD2 C 131.330 0.400 1 391 48 48 PHE HD2 H 7.066 0.020 1 392 49 49 ASN N N 117.579 0.400 1 393 49 49 ASN H H 8.646 0.020 1 394 49 49 ASN CA C 55.662 0.400 1 395 49 49 ASN HA H 4.138 0.020 1 396 49 49 ASN CB C 37.132 0.400 1 397 49 49 ASN HB2 H 2.896 0.020 2 398 49 49 ASN HB3 H 2.677 0.020 2 399 49 49 ASN ND2 N 112.126 0.400 1 400 49 49 ASN HD21 H 6.862 0.020 2 401 49 49 ASN HD22 H 7.831 0.020 2 402 50 50 GLU N N 120.910 0.400 1 403 50 50 GLU H H 7.726 0.020 1 404 50 50 GLU CA C 59.116 0.400 1 405 50 50 GLU HA H 3.963 0.020 1 406 50 50 GLU CB C 29.070 0.400 1 407 50 50 GLU HB2 H 2.040 0.020 2 408 50 50 GLU HB3 H 2.040 0.020 2 409 50 50 GLU CG C 36.010 0.400 1 410 50 50 GLU HG2 H 2.369 0.020 2 411 50 50 GLU HG3 H 2.205 0.020 2 412 51 51 LEU N N 121.732 0.400 1 413 51 51 LEU H H 7.534 0.020 1 414 51 51 LEU CA C 57.933 0.400 1 415 51 51 LEU HA H 3.892 0.020 1 416 51 51 LEU CB C 41.258 0.400 1 417 51 51 LEU HB2 H 1.321 0.020 2 418 51 51 LEU HB3 H 1.599 0.020 2 419 51 51 LEU CG C 26.168 0.400 1 420 51 51 LEU HG H 0.892 0.020 1 421 51 51 LEU HD1 H 0.624 0.020 2 422 51 51 LEU HD2 H 0.191 0.020 2 423 51 51 LEU CD1 C 23.888 0.400 1 424 51 51 LEU CD2 C 24.730 0.400 1 425 52 52 LEU N N 115.283 0.400 1 426 52 52 LEU H H 7.427 0.020 1 427 52 52 LEU CA C 57.235 0.400 1 428 52 52 LEU HA H 3.805 0.020 1 429 52 52 LEU CB C 40.924 0.400 1 430 52 52 LEU HB2 H 1.335 0.020 2 431 52 52 LEU HB3 H 1.473 0.020 2 432 52 52 LEU CG C 26.328 0.400 1 433 52 52 LEU HG H 1.196 0.020 1 434 52 52 LEU HD1 H 0.444 0.020 2 435 52 52 LEU HD2 H 0.512 0.020 2 436 52 52 LEU CD1 C 24.592 0.400 1 437 52 52 LEU CD2 C 22.900 0.400 1 438 53 53 ALA N N 117.087 0.400 1 439 53 53 ALA H H 7.219 0.020 1 440 53 53 ALA CA C 52.938 0.400 1 441 53 53 ALA HA H 4.163 0.020 1 442 53 53 ALA HB H 1.392 0.020 1 443 53 53 ALA CB C 18.282 0.400 1 444 54 54 ARG N N 116.978 0.400 1 445 54 54 ARG H H 7.533 0.020 1 446 54 54 ARG CA C 57.130 0.400 1 447 54 54 ARG HA H 4.007 0.020 1 448 54 54 ARG CB C 30.936 0.400 1 449 54 54 ARG HB2 H 1.765 0.020 2 450 54 54 ARG HB3 H 1.548 0.020 2 451 54 54 ARG CG C 27.151 0.400 1 452 54 54 ARG HG2 H 1.306 0.020 2 453 54 54 ARG HG3 H 1.576 0.020 2 454 54 54 ARG CD C 43.505 0.400 1 455 54 54 ARG HD2 H 3.029 0.020 2 456 54 54 ARG HD3 H 3.030 0.020 2 457 54 54 ARG NE N 84.808 0.400 1 458 54 54 ARG HE H 7.264 0.020 1 459 55 55 TYR N N 117.853 0.400 1 460 55 55 TYR H H 7.689 0.020 1 461 55 55 TYR CA C 55.120 0.400 1 462 55 55 TYR HA H 4.898 0.020 1 463 55 55 TYR CB C 40.219 0.400 1 464 55 55 TYR HB2 H 2.801 0.020 2 465 55 55 TYR HB3 H 2.938 0.020 2 466 55 55 TYR CD1 C 134.099 0.400 1 467 55 55 TYR HD1 H 7.339 0.020 1 468 55 55 TYR CE1 C 117.960 0.400 1 469 55 55 TYR HE1 H 6.812 0.020 1 470 55 55 TYR CE2 C 118.014 0.400 1 471 55 55 TYR HE2 H 6.812 0.020 1 472 55 55 TYR CD2 C 134.099 0.400 1 473 55 55 TYR HD2 H 7.339 0.020 1 474 56 56 PRO CD C 50.063 0.400 1 475 56 56 PRO CA C 61.988 0.400 1 476 56 56 PRO HA H 4.673 0.020 1 477 56 56 PRO CB C 29.599 0.400 1 478 56 56 PRO HB2 H 2.088 0.020 2 479 56 56 PRO HB3 H 2.031 0.020 2 480 56 56 PRO CG C 27.296 0.400 1 481 56 56 PRO HG2 H 2.037 0.020 2 482 56 56 PRO HG3 H 2.090 0.020 2 483 56 56 PRO HD2 H 3.696 0.020 2 484 56 56 PRO HD3 H 3.696 0.020 2 485 57 57 LEU N N 124.798 0.400 1 486 57 57 LEU H H 8.151 0.020 1 487 57 57 LEU CA C 53.700 0.400 1 488 57 57 LEU HA H 4.762 0.020 1 489 57 57 LEU CB C 44.000 0.400 1 490 57 57 LEU HB2 H 1.766 0.020 2 491 57 57 LEU HB3 H 1.468 0.020 2 492 57 57 LEU CG C 26.438 0.400 1 493 57 57 LEU HG H 1.954 0.020 1 494 57 57 LEU HD1 H 0.996 0.020 2 495 57 57 LEU HD2 H 0.711 0.020 2 496 57 57 LEU CD1 C 27.021 0.400 1 497 57 57 LEU CD2 C 23.033 0.400 1 498 58 58 THR N N 113.204 0.400 1 499 58 58 THR H H 9.056 0.020 1 500 58 58 THR CA C 60.586 0.400 1 501 58 58 THR HA H 4.432 0.020 1 502 58 58 THR CB C 70.490 0.400 1 503 58 58 THR HB H 4.760 0.020 1 504 58 58 THR HG2 H 1.312 0.020 1 505 58 58 THR CG2 C 21.606 0.400 1 506 59 59 GLU N N 120.455 0.400 1 507 59 59 GLU H H 9.106 0.020 1 508 59 59 GLU CA C 60.183 0.400 1 509 59 59 GLU HA H 4.044 0.020 1 510 59 59 GLU CB C 28.979 0.400 1 511 59 59 GLU HB2 H 2.091 0.020 2 512 59 59 GLU HB3 H 2.091 0.020 2 513 59 59 GLU CG C 36.010 0.400 1 514 59 59 GLU HG2 H 2.397 0.020 2 515 59 59 GLU HG3 H 2.322 0.020 2 516 60 60 SER N N 114.408 0.400 1 517 60 60 SER H H 8.507 0.020 1 518 60 60 SER CA C 61.172 0.400 1 519 60 60 SER HA H 4.278 0.020 1 520 60 60 SER CB C 62.156 0.400 1 521 60 60 SER HB2 H 3.841 0.020 2 522 60 60 SER HB3 H 3.841 0.020 2 523 61 61 GLN N N 122.994 0.400 1 524 61 61 GLN H H 7.681 0.020 1 525 61 61 GLN CA C 59.260 0.400 1 526 61 61 GLN HA H 3.964 0.020 1 527 61 61 GLN CB C 30.348 0.400 1 528 61 61 GLN HB2 H 2.527 0.020 2 529 61 61 GLN HB3 H 1.659 0.020 2 530 61 61 GLN CG C 34.981 0.400 1 531 61 61 GLN HG2 H 2.601 0.020 2 532 61 61 GLN HG3 H 2.161 0.020 2 533 61 61 GLN NE2 N 111.216 0.400 1 534 61 61 GLN HE21 H 7.456 0.020 2 535 61 61 GLN HE22 H 6.828 0.020 2 536 62 62 LEU N N 120.204 0.400 1 537 62 62 LEU H H 8.823 0.020 1 538 62 62 LEU CA C 57.927 0.400 1 539 62 62 LEU HA H 3.923 0.020 1 540 62 62 LEU CB C 41.883 0.400 1 541 62 62 LEU HB2 H 1.746 0.020 2 542 62 62 LEU HB3 H 1.588 0.020 2 543 62 62 LEU CG C 26.983 0.400 1 544 62 62 LEU HG H 1.566 0.020 1 545 62 62 LEU HD1 H 0.874 0.020 2 546 62 62 LEU HD2 H 0.930 0.020 2 547 62 62 LEU CD1 C 24.446 0.400 1 548 62 62 LEU CD2 C 24.730 0.400 1 549 63 63 ALA N N 119.931 0.400 1 550 63 63 ALA H H 7.977 0.020 1 551 63 63 ALA CA C 55.016 0.400 1 552 63 63 ALA HA H 4.061 0.020 1 553 63 63 ALA HB H 1.486 0.020 1 554 63 63 ALA CB C 17.500 0.400 1 555 64 64 LEU N N 119.165 0.400 1 556 64 64 LEU H H 7.417 0.020 1 557 64 64 LEU CA C 57.869 0.400 1 558 64 64 LEU HA H 4.260 0.020 1 559 64 64 LEU CB C 41.009 0.400 1 560 64 64 LEU HB2 H 1.971 0.020 2 561 64 64 LEU HB3 H 1.697 0.020 2 562 64 64 LEU CG C 27.078 0.400 1 563 64 64 LEU HG H 1.540 0.020 1 564 64 64 LEU HD1 H 0.955 0.020 2 565 64 64 LEU HD2 H 0.844 0.020 2 566 64 64 LEU CD1 C 23.352 0.400 1 567 64 64 LEU CD2 C 25.667 0.400 1 568 65 65 VAL N N 117.579 0.400 1 569 65 65 VAL H H 8.384 0.020 1 570 65 65 VAL CA C 67.027 0.400 1 571 65 65 VAL HA H 3.633 0.020 1 572 65 65 VAL CB C 31.500 0.400 1 573 65 65 VAL HB H 2.387 0.020 1 574 65 65 VAL HG1 H 1.233 0.020 2 575 65 65 VAL HG2 H 1.213 0.020 2 576 65 65 VAL CG1 C 22.653 0.400 1 577 65 65 VAL CG2 C 23.079 0.400 1 578 66 66 ARG N N 117.853 0.400 1 579 66 66 ARG H H 8.587 0.020 1 580 66 66 ARG CA C 60.187 0.400 1 581 66 66 ARG HA H 3.976 0.020 1 582 66 66 ARG CB C 29.947 0.400 1 583 66 66 ARG HB2 H 1.875 0.020 2 584 66 66 ARG HB3 H 1.941 0.020 2 585 66 66 ARG CG C 28.908 0.400 1 586 66 66 ARG HG2 H 2.010 0.020 2 587 66 66 ARG HG3 H 1.695 0.020 2 588 66 66 ARG CD C 43.476 0.400 1 589 66 66 ARG HD2 H 3.189 0.020 2 590 66 66 ARG HD3 H 3.187 0.020 2 591 67 67 ASP N N 121.560 0.400 1 592 67 67 ASP H H 7.930 0.020 1 593 67 67 ASP CA C 57.735 0.400 1 594 67 67 ASP HA H 4.476 0.020 1 595 67 67 ASP CB C 41.695 0.400 1 596 67 67 ASP HB2 H 2.896 0.020 2 597 67 67 ASP HB3 H 2.838 0.020 2 598 68 68 ILE N N 120.040 0.400 1 599 68 68 ILE H H 8.436 0.020 1 600 68 68 ILE CA C 65.408 0.400 1 601 68 68 ILE HA H 3.509 0.020 1 602 68 68 ILE CB C 38.072 0.400 1 603 68 68 ILE HB H 1.896 0.020 1 604 68 68 ILE HG2 H 0.808 0.020 1 605 68 68 ILE CG2 C 17.060 0.400 1 606 68 68 ILE CG1 C 28.800 0.400 1 607 68 68 ILE HG12 H 0.921 0.020 2 608 68 68 ILE HG13 H 1.923 0.020 2 609 68 68 ILE HD1 H 0.780 0.020 1 610 68 68 ILE CD1 C 13.948 0.400 1 611 69 69 ARG N N 119.320 0.400 1 612 69 69 ARG H H 7.982 0.020 1 613 69 69 ARG CA C 59.198 0.400 1 614 69 69 ARG HA H 3.631 0.020 1 615 69 69 ARG CB C 29.462 0.400 1 616 69 69 ARG HB2 H 1.802 0.020 2 617 69 69 ARG HB3 H 1.394 0.020 2 618 69 69 ARG CG C 27.021 0.400 1 619 69 69 ARG HG2 H 1.241 0.020 2 620 69 69 ARG HG3 H 1.376 0.020 2 621 69 69 ARG CD C 42.482 0.400 1 622 69 69 ARG HD2 H 2.030 0.020 2 623 69 69 ARG HD3 H 2.030 0.020 2 624 70 70 ARG N N 118.226 0.400 1 625 70 70 ARG H H 7.952 0.020 1 626 70 70 ARG CA C 58.598 0.400 1 627 70 70 ARG HA H 4.001 0.020 1 628 70 70 ARG CB C 29.805 0.400 1 629 70 70 ARG HB2 H 1.954 0.020 2 630 70 70 ARG HB3 H 1.954 0.020 2 631 70 70 ARG CG C 27.111 0.400 1 632 70 70 ARG HG2 H 1.708 0.020 2 633 70 70 ARG HG3 H 1.612 0.020 2 634 70 70 ARG CD C 43.487 0.400 1 635 70 70 ARG HD2 H 3.206 0.020 2 636 70 70 ARG HD3 H 3.204 0.020 2 637 71 71 ARG N N 117.984 0.400 1 638 71 71 ARG H H 8.106 0.020 1 639 71 71 ARG CA C 58.398 0.400 1 640 71 71 ARG HA H 4.075 0.020 1 641 71 71 ARG CB C 30.221 0.400 1 642 71 71 ARG HB2 H 1.852 0.020 2 643 71 71 ARG HB3 H 1.853 0.020 2 644 71 71 ARG CG C 28.821 0.400 1 645 71 71 ARG HG2 H 1.619 0.020 2 646 71 71 ARG HG3 H 1.751 0.020 2 647 71 71 ARG CD C 43.100 0.400 1 648 71 71 ARG HD2 H 3.140 0.020 2 649 71 71 ARG HD3 H 3.200 0.020 2 650 72 72 GLY N N 106.726 0.400 1 651 72 72 GLY H H 7.990 0.020 1 652 72 72 GLY CA C 46.024 0.400 1 653 72 72 GLY HA2 H 3.962 0.020 2 654 72 72 GLY HA3 H 3.741 0.020 2 655 73 73 LYS N N 120.489 0.400 1 656 73 73 LYS H H 7.996 0.020 1 657 73 73 LYS CA C 56.667 0.400 1 658 73 73 LYS HA H 4.177 0.020 1 659 73 73 LYS CB C 32.450 0.400 1 660 73 73 LYS HB2 H 1.822 0.020 2 661 73 73 LYS HB3 H 1.777 0.020 2 662 73 73 LYS CG C 24.530 0.400 1 663 73 73 LYS HG2 H 1.478 0.020 2 664 73 73 LYS HG3 H 1.387 0.020 2 665 73 73 LYS CD C 28.780 0.400 1 666 73 73 LYS HD2 H 1.610 0.020 2 667 73 73 LYS HD3 H 1.610 0.020 2 668 73 73 LYS CE C 41.780 0.400 1 669 73 73 LYS HE2 H 2.952 0.020 2 670 73 73 LYS HE3 H 2.951 0.020 2 671 74 74 ASN N N 119.007 0.400 1 672 74 74 ASN H H 8.152 0.020 1 673 74 74 ASN CA C 53.397 0.400 1 674 74 74 ASN HA H 4.616 0.020 1 675 74 74 ASN CB C 38.522 0.400 1 676 74 74 ASN HB2 H 2.811 0.020 2 677 74 74 ASN HB3 H 2.781 0.020 2 678 74 74 ASN ND2 N 112.604 0.400 1 679 74 74 ASN HD21 H 7.610 0.020 2 680 74 74 ASN HD22 H 6.902 0.020 2 681 75 75 LYS N N 121.691 0.400 1 682 75 75 LYS H H 8.091 0.020 1 683 75 75 LYS CA C 56.872 0.400 1 684 75 75 LYS HA H 4.244 0.020 1 685 75 75 LYS CB C 32.591 0.400 1 686 75 75 LYS HB2 H 1.842 0.020 2 687 75 75 LYS HB3 H 1.787 0.020 2 688 75 75 LYS CG C 24.910 0.400 1 689 75 75 LYS HG2 H 1.389 0.020 2 690 75 75 LYS HG3 H 1.389 0.020 2 691 75 75 LYS CD C 28.780 0.400 1 692 75 75 LYS HD2 H 1.664 0.020 2 693 75 75 LYS HD3 H 1.664 0.020 2 694 75 75 LYS CE C 41.780 0.400 1 695 75 75 LYS HE2 H 2.960 0.020 2 696 75 75 LYS HE3 H 2.959 0.020 2 697 76 76 VAL N N 120.672 0.400 1 698 76 76 VAL H H 7.959 0.020 1 699 76 76 VAL CA C 62.834 0.400 1 700 76 76 VAL HA H 3.967 0.020 1 701 76 76 VAL CB C 32.556 0.400 1 702 76 76 VAL HB H 2.044 0.020 1 703 76 76 VAL HG1 H 0.921 0.020 2 704 76 76 VAL HG2 H 0.921 0.020 2 705 76 76 VAL CG1 C 20.618 0.400 1 706 76 76 VAL CG2 C 20.673 0.400 1 707 77 77 ALA N N 126.867 0.400 1 708 77 77 ALA H H 8.226 0.020 1 709 77 77 ALA CA C 52.703 0.400 1 710 77 77 ALA HA H 4.233 0.020 1 711 77 77 ALA HB H 1.375 0.020 1 712 77 77 ALA CB C 18.783 0.400 1 713 78 78 ALA N N 122.772 0.400 1 714 78 78 ALA H H 8.148 0.020 1 715 78 78 ALA CA C 52.883 0.400 1 716 78 78 ALA HA H 4.206 0.020 1 717 78 78 ALA HB H 1.387 0.020 1 718 78 78 ALA CB C 18.667 0.400 1 719 79 79 GLN N N 118.710 0.400 1 720 79 79 GLN H H 8.216 0.020 1 721 79 79 GLN CA C 56.118 0.400 1 722 79 79 GLN HA H 4.197 0.020 1 723 79 79 GLN CB C 28.977 0.400 1 724 79 79 GLN HB2 H 1.966 0.020 2 725 79 79 GLN HB3 H 1.994 0.020 2 726 79 79 GLN CG C 33.491 0.400 1 727 79 79 GLN HG2 H 2.325 0.020 2 728 79 79 GLN HG3 H 2.325 0.020 2 729 79 79 GLN NE2 N 112.195 0.400 1 730 79 79 GLN HE21 H 7.474 0.020 2 731 79 79 GLN HE22 H 6.859 0.020 2 732 80 80 ASN N N 119.057 0.400 1 733 80 80 ASN H H 8.283 0.020 1 734 80 80 ASN CA C 53.374 0.400 1 735 80 80 ASN HA H 4.623 0.020 1 736 80 80 ASN CB C 38.609 0.400 1 737 80 80 ASN HB2 H 2.702 0.020 2 738 80 80 ASN HB3 H 2.756 0.020 2 739 80 80 ASN ND2 N 112.688 0.400 1 740 80 80 ASN HD21 H 7.548 0.020 2 741 80 80 ASN HD22 H 6.894 0.020 2 742 81 81 TYR N N 120.904 0.400 1 743 81 81 TYR H H 8.046 0.020 1 744 81 81 TYR CA C 58.295 0.400 1 745 81 81 TYR HA H 4.459 0.020 1 746 81 81 TYR CB C 38.062 0.400 1 747 81 81 TYR HB2 H 3.034 0.020 2 748 81 81 TYR HB3 H 2.978 0.020 2 749 81 81 TYR CD1 C 132.952 0.400 1 750 81 81 TYR HD1 H 7.077 0.020 1 751 81 81 TYR CE1 C 117.999 0.400 1 752 81 81 TYR HE1 H 6.784 0.020 1 753 81 81 TYR CE2 C 117.905 0.400 1 754 81 81 TYR HE2 H 6.784 0.020 1 755 81 81 TYR CD2 C 133.076 0.400 1 756 81 81 TYR HD2 H 7.077 0.020 1 757 82 82 ARG N N 122.150 0.400 1 758 82 82 ARG H H 8.044 0.020 1 759 82 82 ARG CA C 56.268 0.400 1 760 82 82 ARG HA H 4.176 0.020 1 761 82 82 ARG CB C 30.455 0.400 1 762 82 82 ARG HB2 H 1.694 0.020 2 763 82 82 ARG HB3 H 1.765 0.020 2 764 82 82 ARG CG C 27.125 0.400 1 765 82 82 ARG HG2 H 1.528 0.020 2 766 82 82 ARG CD C 42.983 0.400 1 767 82 82 ARG HD2 H 3.148 0.020 2 768 83 83 LYS N N 123.077 0.400 1 769 83 83 LYS H H 8.315 0.020 1 770 83 83 LYS CA C 56.206 0.400 1 771 83 83 LYS HA H 4.243 0.020 1 772 83 83 LYS CB C 32.591 0.400 1 773 83 83 LYS HB2 H 1.781 0.020 2 774 83 83 LYS HB3 H 1.717 0.020 2 775 83 83 LYS CG C 24.389 0.400 1 776 83 83 LYS HG2 H 1.368 0.020 2 777 84 84 ARG N N 122.313 0.400 1 778 84 84 ARG H H 8.199 0.020 1 779 84 84 ARG CA C 56.530 0.400 1 780 84 84 ARG HA H 4.184 0.020 1 781 84 84 ARG CB C 30.409 0.400 1 782 84 84 ARG HB2 H 1.726 0.020 2 783 84 84 ARG HB3 H 1.802 0.020 2 784 84 84 ARG CG C 27.310 0.400 1 785 84 84 ARG HG2 H 1.593 0.020 2 786 84 84 ARG HG3 H 1.593 0.020 2 787 84 84 ARG CD C 43.100 0.400 1 788 84 84 ARG HD2 H 3.147 0.020 2 789 84 84 ARG HD3 H 3.149 0.020 2 790 85 85 LYS N N 122.064 0.400 1 791 85 85 LYS H H 8.105 0.020 1 792 85 85 LYS CA C 56.467 0.400 1 793 85 85 LYS HA H 4.229 0.020 1 794 85 85 LYS CB C 32.576 0.400 1 795 85 85 LYS HB2 H 1.802 0.020 2 796 85 85 LYS HB3 H 1.722 0.020 2 797 85 85 LYS CG C 24.555 0.400 1 798 85 85 LYS HG2 H 1.377 0.020 2 799 85 85 LYS HG3 H 1.453 0.020 2 800 86 86 LEU N N 123.921 0.400 1 801 86 86 LEU H H 8.265 0.020 1 802 86 86 LEU CA C 55.052 0.400 1 803 86 86 LEU HA H 4.302 0.020 1 804 86 86 LEU CB C 42.076 0.400 1 805 86 86 LEU HB2 H 1.614 0.020 2 806 86 86 LEU HB3 H 1.563 0.020 2 807 86 86 LEU CG C 26.983 0.400 1 808 86 86 LEU HG H 1.598 0.020 1 809 86 86 LEU HD1 H 0.888 0.020 2 810 86 86 LEU HD2 H 0.832 0.020 2 811 86 86 LEU CD1 C 24.555 0.400 1 812 86 86 LEU CD2 C 23.396 0.400 1 813 87 87 GLU N N 121.829 0.400 1 814 87 87 GLU H H 8.422 0.020 1 815 87 87 GLU CA C 56.436 0.400 1 816 87 87 GLU HA H 4.316 0.020 1 817 87 87 GLU CB C 30.246 0.400 1 818 87 87 GLU HB2 H 2.031 0.020 2 819 87 87 GLU HB3 H 1.907 0.020 2 820 87 87 GLU CG C 36.010 0.400 1 821 87 87 GLU HG2 H 2.213 0.020 2 822 87 87 GLU HG3 H 2.214 0.020 2 823 88 88 THR N N 115.775 0.400 1 824 88 88 THR H H 8.131 0.020 1 825 88 88 THR CA C 61.881 0.400 1 826 88 88 THR HA H 4.280 0.020 1 827 88 88 THR CB C 69.752 0.400 1 828 88 88 THR HB H 4.119 0.020 1 829 88 88 THR HG2 H 1.147 0.020 1 830 88 88 THR CG2 C 21.440 0.400 1 831 89 89 ILE N N 124.346 0.400 1 832 89 89 ILE H H 8.173 0.020 1 833 89 89 ILE CA C 60.861 0.400 1 834 89 89 ILE HA H 4.169 0.020 1 835 89 89 ILE CB C 38.455 0.400 1 836 89 89 ILE HB H 1.823 0.020 1 837 89 89 ILE HG2 H 0.841 0.020 1 838 89 89 ILE CG2 C 17.063 0.400 1 839 89 89 ILE CG1 C 27.158 0.400 1 840 89 89 ILE HG12 H 1.143 0.020 2 841 89 89 ILE HG13 H 1.439 0.020 2 842 89 89 ILE HD1 H 0.810 0.020 1 843 89 89 ILE CD1 C 12.457 0.400 1 844 90 90 VAL N N 125.922 0.400 1 845 90 90 VAL H H 8.266 0.020 1 846 90 90 VAL CA C 62.214 0.400 1 847 90 90 VAL HA H 4.075 0.020 1 848 90 90 VAL CB C 32.547 0.400 1 849 90 90 VAL HB H 2.018 0.020 1 850 90 90 VAL HG1 H 0.900 0.020 2 851 90 90 VAL HG2 H 0.899 0.020 2 852 90 90 VAL CG1 C 20.529 0.400 1 853 90 90 VAL CG2 C 20.529 0.400 1 854 91 91 GLN N N 129.893 0.400 1 855 91 91 GLN H H 8.029 0.020 1 856 91 91 GLN CA C 57.156 0.400 1 857 91 91 GLN HA H 4.133 0.020 1 858 91 91 GLN CB C 30.420 0.400 1 859 91 91 GLN HB2 H 1.896 0.020 2 860 91 91 GLN HB3 H 2.040 0.020 2 stop_ save_