save_polymer _Saveframe_category monomeric_polymer ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; MGHHHHHHSHMNSAEQTVTW LITLGVLESPKKTISDPEGF LQASLKDGVVLCRLLERLLP GTIEKVYPEPRSESECLSNI REFLRGCGASLRLETFDAND LYQGQNFNKVLSSLVTLNKV TADIGL ; 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 ASN 13 13 SER 14 14 ALA 16 16 GLN 17 17 THR 18 18 VAL 19 19 THR 21 21 LEU 22 22 ILE 23 23 THR 24 24 LEU 26 26 VAL 27 27 LEU 28 28 GLU 29 29 SER 31 31 LYS 32 32 LYS 33 33 THR 34 34 ILE 36 36 ASP 37 37 PRO 38 38 GLU 39 39 GLY 41 41 LEU 42 42 GLN 43 43 ALA 44 44 SER 46 46 LYS 47 47 ASP 48 48 GLY 49 49 VAL 51 51 LEU 52 52 CYS 53 53 ARG 54 54 LEU 56 56 GLU 57 57 ARG 58 58 LEU 59 59 LEU 61 61 GLY 62 62 THR 63 63 ILE 64 64 GLU 66 66 VAL 67 67 TYR 68 68 PRO 69 69 GLU 71 71 ARG 72 72 SER 73 73 GLU 74 74 SER 76 76 CYS 77 77 LEU 78 78 SER 79 79 ASN 81 81 ARG 82 82 GLU 83 83 PHE 84 84 LEU 86 86 GLY 87 87 CYS 88 88 GLY 89 89 ALA 91 91 LEU 92 92 ARG 93 93 LEU 94 94 GLU 96 96 PHE 97 97 ASP 98 98 ALA 99 99 ASN 101 101 LEU 102 102 TYR 103 103 GLN 104 104 GLY 106 106 ASN 107 107 PHE 108 108 ASN 109 109 LYS 111 111 LEU 112 112 SER 113 113 SER 114 114 LEU 116 116 THR 117 117 LEU 118 118 ASN 119 119 LYS 121 121 THR 122 122 ALA 123 123 ASP 124 124 ILE 126 126 LEU 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 1 1 MET C C 177.827 0.400 1 2 2 2 GLY N N 110.011 0.400 1 3 2 2 GLY H H 8.486 0.020 1 4 2 2 GLY CA C 44.624 0.400 1 5 2 2 GLY HA2 H 3.904 0.020 2 6 2 2 GLY HA3 H 3.904 0.020 2 7 10 10 HIS CA C 55.913 0.400 1 8 10 10 HIS HA H 4.630 0.020 1 9 10 10 HIS CB C 29.760 0.400 1 10 10 10 HIS HB2 H 3.152 0.020 2 11 10 10 HIS HB3 H 3.085 0.020 2 12 10 10 HIS CD2 C 119.655 0.400 1 13 10 10 HIS HD2 H 7.056 0.020 1 14 10 10 HIS C C 175.032 0.400 1 15 11 11 MET N N 121.291 0.400 1 16 11 11 MET H H 8.210 0.020 1 17 11 11 MET CA C 55.899 0.400 1 18 11 11 MET HA H 4.366 0.020 1 19 11 11 MET CB C 33.249 0.400 1 20 11 11 MET HB2 H 1.984 0.020 2 21 11 11 MET HB3 H 1.915 0.020 2 22 11 11 MET CG C 31.856 0.400 1 23 11 11 MET HG2 H 2.377 0.020 2 24 11 11 MET HG3 H 2.427 0.020 2 25 11 11 MET C C 175.894 0.400 1 26 12 12 ASN N N 120.342 0.400 1 27 12 12 ASN H H 8.670 0.020 1 28 12 12 ASN CA C 53.086 0.400 1 29 12 12 ASN HA H 4.752 0.020 1 30 12 12 ASN CB C 38.583 0.400 1 31 12 12 ASN HB2 H 2.983 0.020 2 32 12 12 ASN HB3 H 2.884 0.020 2 33 12 12 ASN ND2 N 112.635 0.400 1 34 12 12 ASN HD21 H 7.616 0.020 2 35 12 12 ASN HD22 H 6.956 0.020 2 36 12 12 ASN C C 175.812 0.400 1 37 13 13 SER N N 116.077 0.400 1 38 13 13 SER H H 8.499 0.020 1 39 13 13 SER CA C 60.926 0.400 1 40 13 13 SER HA H 4.214 0.020 1 41 13 13 SER CB C 63.108 0.400 1 42 13 13 SER HB2 H 3.871 0.020 2 43 13 13 SER HB3 H 3.763 0.020 2 44 13 13 SER C C 176.641 0.400 1 45 14 14 ALA N N 126.919 0.400 1 46 14 14 ALA H H 8.843 0.020 1 47 14 14 ALA CA C 55.481 0.400 1 48 14 14 ALA HA H 4.021 0.020 1 49 14 14 ALA HB H 1.465 0.020 1 50 14 14 ALA CB C 17.695 0.400 1 51 14 14 ALA C C 178.331 0.400 1 52 15 15 GLU N N 119.553 0.400 1 53 15 15 GLU H H 8.770 0.020 1 54 15 15 GLU CA C 60.086 0.400 1 55 15 15 GLU HA H 3.850 0.020 1 56 15 15 GLU CB C 29.559 0.400 1 57 15 15 GLU HB2 H 2.087 0.020 2 58 15 15 GLU HB3 H 2.136 0.020 2 59 15 15 GLU CG C 36.479 0.400 1 60 15 15 GLU HG2 H 2.367 0.020 2 61 15 15 GLU HG3 H 2.250 0.020 2 62 15 15 GLU C C 179.127 0.400 1 63 16 16 GLN N N 118.134 0.400 1 64 16 16 GLN H H 8.448 0.020 1 65 16 16 GLN CA C 58.888 0.400 1 66 16 16 GLN HA H 4.032 0.020 1 67 16 16 GLN CB C 28.511 0.400 1 68 16 16 GLN HB2 H 2.079 0.020 2 69 16 16 GLN HB3 H 2.080 0.020 2 70 16 16 GLN CG C 33.891 0.400 1 71 16 16 GLN HG2 H 2.304 0.020 2 72 16 16 GLN HG3 H 2.396 0.020 2 73 16 16 GLN NE2 N 111.633 0.400 1 74 16 16 GLN HE21 H 7.372 0.020 2 75 16 16 GLN HE22 H 6.714 0.020 2 76 16 16 GLN C C 178.819 0.400 1 77 17 17 THR N N 118.309 0.400 1 78 17 17 THR H H 7.994 0.020 1 79 17 17 THR CA C 67.207 0.400 1 80 17 17 THR HA H 4.233 0.020 1 81 17 17 THR CB C 67.647 0.400 1 82 17 17 THR HB H 4.328 0.020 1 83 17 17 THR HG2 H 1.331 0.020 1 84 17 17 THR HG1 H 5.033 0.020 1 85 17 17 THR CG2 C 22.279 0.400 1 86 17 17 THR C C 175.520 0.400 1 87 18 18 VAL N N 122.523 0.400 1 88 18 18 VAL H H 8.585 0.020 1 89 18 18 VAL CA C 68.103 0.400 1 90 18 18 VAL HA H 3.478 0.020 1 91 18 18 VAL CB C 31.565 0.400 1 92 18 18 VAL HB H 2.357 0.020 1 93 18 18 VAL HG1 H 0.985 0.020 2 94 18 18 VAL HG2 H 1.206 0.020 2 95 18 18 VAL CG1 C 21.915 0.400 1 96 18 18 VAL CG2 C 24.601 0.400 1 97 18 18 VAL C C 176.706 0.400 1 98 19 19 THR N N 113.870 0.400 1 99 19 19 THR H H 8.018 0.020 1 100 19 19 THR CA C 66.738 0.400 1 101 19 19 THR HA H 3.843 0.020 1 102 19 19 THR CB C 68.615 0.400 1 103 19 19 THR HB H 4.247 0.020 1 104 19 19 THR HG2 H 1.258 0.020 1 105 19 19 THR CG2 C 21.730 0.400 1 106 19 19 THR C C 176.446 0.400 1 107 20 20 TRP N N 125.576 0.400 1 108 20 20 TRP H H 8.277 0.020 1 109 20 20 TRP CA C 59.752 0.400 1 110 20 20 TRP HA H 4.596 0.020 1 111 20 20 TRP CB C 28.230 0.400 1 112 20 20 TRP HB2 H 3.704 0.020 2 113 20 20 TRP HB3 H 3.224 0.020 2 114 20 20 TRP CD1 C 127.030 0.400 1 115 20 20 TRP CE3 C 120.412 0.400 1 116 20 20 TRP NE1 N 131.783 0.400 1 117 20 20 TRP HD1 H 7.286 0.020 1 118 20 20 TRP HE3 H 7.549 0.020 1 119 20 20 TRP CZ3 C 120.538 0.400 1 120 20 20 TRP CZ2 C 114.077 0.400 1 121 20 20 TRP HE1 H 10.211 0.020 1 122 20 20 TRP HZ3 H 6.893 0.020 1 123 20 20 TRP CH2 C 122.827 0.400 1 124 20 20 TRP HZ2 H 7.331 0.020 1 125 20 20 TRP HH2 H 6.792 0.020 1 126 20 20 TRP C C 176.657 0.400 1 127 21 21 LEU N N 116.614 0.400 1 128 21 21 LEU H H 8.205 0.020 1 129 21 21 LEU CA C 57.724 0.400 1 130 21 21 LEU HA H 3.378 0.020 1 131 21 21 LEU CB C 41.509 0.400 1 132 21 21 LEU HB2 H 1.925 0.020 2 133 21 21 LEU HB3 H 1.050 0.020 2 134 21 21 LEU CG C 26.231 0.400 1 135 21 21 LEU HG H 2.083 0.020 1 136 21 21 LEU HD1 H 0.654 0.020 2 137 21 21 LEU HD2 H 0.233 0.020 2 138 21 21 LEU CD1 C 26.221 0.400 1 139 21 21 LEU CD2 C 23.897 0.400 1 140 21 21 LEU C C 179.485 0.400 1 141 22 22 ILE N N 119.461 0.400 1 142 22 22 ILE H H 8.301 0.020 1 143 22 22 ILE CA C 64.473 0.400 1 144 22 22 ILE HA H 4.214 0.020 1 145 22 22 ILE CB C 38.291 0.400 1 146 22 22 ILE HB H 1.908 0.020 1 147 22 22 ILE HG2 H 0.924 0.020 1 148 22 22 ILE CG2 C 16.870 0.400 1 149 22 22 ILE CG1 C 28.583 0.400 1 150 22 22 ILE HG12 H 1.848 0.020 2 151 22 22 ILE HG13 H 0.838 0.020 2 152 22 22 ILE HD1 H 0.801 0.020 1 153 22 22 ILE CD1 C 14.605 0.400 1 154 22 22 ILE C C 180.964 0.400 1 155 23 23 THR N N 120.324 0.400 1 156 23 23 THR H H 8.745 0.020 1 157 23 23 THR CA C 66.695 0.400 1 158 23 23 THR HA H 3.935 0.020 1 159 23 23 THR CB C 68.544 0.400 1 160 23 23 THR HB H 4.515 0.020 1 161 23 23 THR HG2 H 1.319 0.020 1 162 23 23 THR CG2 C 21.205 0.400 1 163 23 23 THR C C 176.576 0.400 1 164 24 24 LEU N N 119.658 0.400 1 165 24 24 LEU H H 8.086 0.020 1 166 24 24 LEU CA C 55.542 0.400 1 167 24 24 LEU HA H 4.096 0.020 1 168 24 24 LEU CB C 43.838 0.400 1 169 24 24 LEU HB2 H 1.506 0.020 2 170 24 24 LEU HB3 H 1.219 0.020 2 171 24 24 LEU CG C 26.501 0.400 1 172 24 24 LEU HG H 1.450 0.020 1 173 24 24 LEU HD1 H 0.060 0.020 2 174 24 24 LEU HD2 H 0.663 0.020 2 175 24 24 LEU CD1 C 25.155 0.400 1 176 24 24 LEU CD2 C 22.403 0.400 1 177 24 24 LEU C C 177.470 0.400 1 178 25 25 GLY N N 105.616 0.400 1 179 25 25 GLY H H 7.815 0.020 1 180 25 25 GLY CA C 44.973 0.400 1 181 25 25 GLY HA2 H 3.935 0.020 2 182 25 25 GLY HA3 H 4.112 0.020 2 183 25 25 GLY C C 174.805 0.400 1 184 26 26 VAL N N 109.764 0.400 1 185 26 26 VAL H H 7.250 0.020 1 186 26 26 VAL CA C 60.965 0.400 1 187 26 26 VAL HA H 4.219 0.020 1 188 26 26 VAL CB C 31.171 0.400 1 189 26 26 VAL HB H 2.194 0.020 1 190 26 26 VAL HG1 H 0.612 0.020 2 191 26 26 VAL HG2 H 0.625 0.020 2 192 26 26 VAL CG1 C 21.382 0.400 1 193 26 26 VAL CG2 C 20.278 0.400 1 194 26 26 VAL C C 172.644 0.400 1 195 27 27 LEU N N 120.672 0.400 1 196 27 27 LEU H H 6.756 0.020 1 197 27 27 LEU CA C 52.609 0.400 1 198 27 27 LEU HA H 4.536 0.020 1 199 27 27 LEU CB C 47.109 0.400 1 200 27 27 LEU HB2 H 1.397 0.020 2 201 27 27 LEU HB3 H 1.007 0.020 2 202 27 27 LEU CG C 26.552 0.400 1 203 27 27 LEU HG H 1.652 0.020 1 204 27 27 LEU HD1 H 0.926 0.020 2 205 27 27 LEU HD2 H 0.923 0.020 2 206 27 27 LEU CD1 C 24.225 0.400 1 207 27 27 LEU CD2 C 25.975 0.400 1 208 27 27 LEU C C 174.545 0.400 1 209 28 28 GLU N N 124.965 0.400 1 210 28 28 GLU H H 8.497 0.020 1 211 28 28 GLU CA C 55.727 0.400 1 212 28 28 GLU HA H 4.156 0.020 1 213 28 28 GLU CB C 30.208 0.400 1 214 28 28 GLU HB2 H 1.903 0.020 2 215 28 28 GLU HB3 H 1.869 0.020 2 216 28 28 GLU CG C 36.057 0.400 1 217 28 28 GLU HG2 H 2.229 0.020 2 218 28 28 GLU HG3 H 2.231 0.020 2 219 28 28 GLU C C 175.829 0.400 1 220 29 29 SER N N 118.553 0.400 1 221 29 29 SER H H 8.610 0.020 1 222 29 29 SER CA C 56.134 0.400 1 223 29 29 SER HA H 4.435 0.020 1 224 29 29 SER CB C 63.218 0.400 1 225 29 29 SER HB2 H 3.812 0.020 2 226 29 29 SER HB3 H 3.813 0.020 2 227 30 30 PRO CD C 50.490 0.400 1 228 30 30 PRO CA C 62.525 0.400 1 229 30 30 PRO HA H 4.502 0.020 1 230 30 30 PRO CB C 31.869 0.400 1 231 30 30 PRO HB2 H 2.135 0.020 2 232 30 30 PRO HB3 H 1.946 0.020 2 233 30 30 PRO CG C 26.763 0.400 1 234 30 30 PRO HG2 H 1.613 0.020 2 235 30 30 PRO HG3 H 1.764 0.020 2 236 30 30 PRO HD2 H 3.765 0.020 2 237 30 30 PRO HD3 H 3.689 0.020 2 238 30 30 PRO C C 176.641 0.400 1 239 31 31 LYS N N 119.530 0.400 1 240 31 31 LYS H H 8.495 0.020 1 241 31 31 LYS CA C 56.621 0.400 1 242 31 31 LYS HA H 4.082 0.020 1 243 31 31 LYS CB C 31.564 0.400 1 244 31 31 LYS HB2 H 1.725 0.020 2 245 31 31 LYS HB3 H 1.884 0.020 2 246 31 31 LYS CG C 24.746 0.400 1 247 31 31 LYS HG2 H 1.371 0.020 2 248 31 31 LYS HG3 H 1.463 0.020 2 249 31 31 LYS CD C 28.481 0.400 1 250 31 31 LYS HD2 H 1.621 0.020 2 251 31 31 LYS HD3 H 1.621 0.020 2 252 31 31 LYS CE C 42.007 0.400 1 253 31 31 LYS HE2 H 2.970 0.020 2 254 31 31 LYS HE3 H 2.970 0.020 2 255 31 31 LYS C C 175.861 0.400 1 256 32 32 LYS N N 116.608 0.400 1 257 32 32 LYS H H 7.412 0.020 1 258 32 32 LYS CA C 54.383 0.400 1 259 32 32 LYS HA H 4.424 0.020 1 260 32 32 LYS CB C 34.148 0.400 1 261 32 32 LYS HB2 H 1.787 0.020 2 262 32 32 LYS HB3 H 1.639 0.020 2 263 32 32 LYS CG C 23.652 0.400 1 264 32 32 LYS HG2 H 1.216 0.020 2 265 32 32 LYS HG3 H 1.261 0.020 2 266 32 32 LYS CD C 28.931 0.400 1 267 32 32 LYS HD2 H 1.610 0.020 2 268 32 32 LYS HD3 H 1.610 0.020 2 269 32 32 LYS CE C 41.772 0.400 1 270 32 32 LYS HE2 H 2.922 0.020 2 271 32 32 LYS HE3 H 2.923 0.020 2 272 32 32 LYS C C 175.244 0.400 1 273 33 33 THR N N 116.355 0.400 1 274 33 33 THR H H 8.099 0.020 1 275 33 33 THR CA C 63.000 0.400 1 276 33 33 THR HA H 3.861 0.020 1 277 33 33 THR CB C 69.236 0.400 1 278 33 33 THR HB H 3.862 0.020 1 279 33 33 THR HG2 H 1.052 0.020 1 280 33 33 THR CG2 C 21.505 0.400 1 281 33 33 THR C C 174.009 0.400 1 282 34 34 ILE N N 127.469 0.400 1 283 34 34 ILE H H 8.586 0.020 1 284 34 34 ILE CA C 60.000 0.400 1 285 34 34 ILE HA H 3.904 0.020 1 286 34 34 ILE CB C 37.642 0.400 1 287 34 34 ILE HB H 1.647 0.020 1 288 34 34 ILE HG2 H 0.499 0.020 1 289 34 34 ILE CG2 C 17.360 0.400 1 290 34 34 ILE CG1 C 26.428 0.400 1 291 34 34 ILE HG12 H 0.550 0.020 2 292 34 34 ILE HG13 H 1.063 0.020 2 293 34 34 ILE HD1 H 0.178 0.020 1 294 34 34 ILE CD1 C 12.085 0.400 1 295 35 35 SER CA C 58.915 0.400 1 296 35 35 SER HA H 4.376 0.020 1 297 35 35 SER CB C 63.161 0.400 1 298 35 35 SER HB2 H 3.857 0.020 2 299 35 35 SER HB3 H 3.757 0.020 2 300 35 35 SER C C 173.944 0.400 1 301 36 36 ASP N N 119.175 0.400 1 302 36 36 ASP H H 7.876 0.020 1 303 36 36 ASP CA C 50.313 0.400 1 304 36 36 ASP HA H 5.102 0.020 1 305 36 36 ASP CB C 40.614 0.400 1 306 36 36 ASP HB2 H 2.841 0.020 2 307 36 36 ASP HB3 H 2.547 0.020 2 308 37 37 PRO CD C 50.158 0.400 1 309 37 37 PRO CA C 65.354 0.400 1 310 37 37 PRO HA H 4.141 0.020 1 311 37 37 PRO CB C 31.193 0.400 1 312 37 37 PRO HB2 H 1.787 0.020 2 313 37 37 PRO HB3 H 2.214 0.020 2 314 37 37 PRO CG C 27.356 0.400 1 315 37 37 PRO HG2 H 2.201 0.020 2 316 37 37 PRO HG3 H 2.050 0.020 2 317 37 37 PRO HD2 H 3.428 0.020 2 318 37 37 PRO HD3 H 4.043 0.020 2 319 37 37 PRO C C 177.470 0.400 1 320 38 38 GLU N N 118.376 0.400 1 321 38 38 GLU H H 8.519 0.020 1 322 38 38 GLU CA C 61.125 0.400 1 323 38 38 GLU HA H 3.757 0.020 1 324 38 38 GLU CB C 29.140 0.400 1 325 38 38 GLU HB2 H 1.940 0.020 2 326 38 38 GLU HB3 H 2.060 0.020 2 327 38 38 GLU CG C 37.595 0.400 1 328 38 38 GLU HG2 H 2.239 0.020 2 329 38 38 GLU HG3 H 2.240 0.020 2 330 38 38 GLU C C 177.746 0.400 1 331 39 39 GLY N N 108.324 0.400 1 332 39 39 GLY H H 8.094 0.020 1 333 39 39 GLY CA C 47.066 0.400 1 334 39 39 GLY HA2 H 3.604 0.020 2 335 39 39 GLY HA3 H 3.807 0.020 2 336 39 39 GLY C C 177.112 0.400 1 337 40 40 PHE N N 123.072 0.400 1 338 40 40 PHE H H 8.487 0.020 1 339 40 40 PHE CA C 60.389 0.400 1 340 40 40 PHE HA H 4.338 0.020 1 341 40 40 PHE CB C 39.720 0.400 1 342 40 40 PHE HB2 H 2.895 0.020 2 343 40 40 PHE HB3 H 3.350 0.020 2 344 40 40 PHE CD1 C 131.204 0.400 1 345 40 40 PHE HD1 H 7.120 0.020 1 346 40 40 PHE CE1 C 131.064 0.400 1 347 40 40 PHE HE1 H 7.221 0.020 1 348 40 40 PHE CZ C 129.716 0.400 1 349 40 40 PHE HZ H 7.294 0.020 1 350 40 40 PHE CE2 C 131.170 0.400 1 351 40 40 PHE HE2 H 7.221 0.020 1 352 40 40 PHE CD2 C 131.330 0.400 1 353 40 40 PHE HD2 H 7.120 0.020 1 354 40 40 PHE C C 178.705 0.400 1 355 41 41 LEU N N 122.767 0.400 1 356 41 41 LEU H H 8.540 0.020 1 357 41 41 LEU CA C 57.530 0.400 1 358 41 41 LEU HA H 3.643 0.020 1 359 41 41 LEU CB C 41.639 0.400 1 360 41 41 LEU HB2 H 1.981 0.020 2 361 41 41 LEU HB3 H 1.656 0.020 2 362 41 41 LEU CG C 26.602 0.400 1 363 41 41 LEU HG H 1.833 0.020 1 364 41 41 LEU HD1 H 0.932 0.020 2 365 41 41 LEU HD2 H 0.889 0.020 2 366 41 41 LEU CD1 C 24.553 0.400 1 367 41 41 LEU CD2 C 24.431 0.400 1 368 41 41 LEU C C 177.356 0.400 1 369 42 42 GLN N N 119.044 0.400 1 370 42 42 GLN H H 8.052 0.020 1 371 42 42 GLN CA C 60.035 0.400 1 372 42 42 GLN HA H 3.213 0.020 1 373 42 42 GLN CB C 27.104 0.400 1 374 42 42 GLN HB2 H 0.917 0.020 2 375 42 42 GLN HB3 H 1.636 0.020 2 376 42 42 GLN CG C 33.506 0.400 1 377 42 42 GLN HG2 H 1.760 0.020 2 378 42 42 GLN HG3 H 1.685 0.020 2 379 42 42 GLN NE2 N 108.883 0.400 1 380 42 42 GLN HE21 H 6.763 0.020 2 381 42 42 GLN HE22 H 6.621 0.020 2 382 42 42 GLN C C 177.762 0.400 1 383 43 43 ALA N N 118.065 0.400 1 384 43 43 ALA H H 7.495 0.020 1 385 43 43 ALA CA C 54.548 0.400 1 386 43 43 ALA HA H 3.921 0.020 1 387 43 43 ALA HB H 1.336 0.020 1 388 43 43 ALA CB C 17.953 0.400 1 389 43 43 ALA C C 180.769 0.400 1 390 44 44 SER N N 112.447 0.400 1 391 44 44 SER H H 7.948 0.020 1 392 44 44 SER CA C 60.936 0.400 1 393 44 44 SER HA H 4.067 0.020 1 394 44 44 SER CB C 62.812 0.400 1 395 44 44 SER HB2 H 3.455 0.020 2 396 44 44 SER HB3 H 3.496 0.020 2 397 44 44 SER C C 175.049 0.400 1 398 45 45 LEU N N 117.277 0.400 1 399 45 45 LEU H H 7.784 0.020 1 400 45 45 LEU CA C 54.095 0.400 1 401 45 45 LEU HA H 4.594 0.020 1 402 45 45 LEU CB C 43.183 0.400 1 403 45 45 LEU HB2 H 1.754 0.020 2 404 45 45 LEU HB3 H 1.450 0.020 2 405 45 45 LEU CG C 25.894 0.400 1 406 45 45 LEU HG H 1.970 0.020 1 407 45 45 LEU HD1 H 0.645 0.020 2 408 45 45 LEU HD2 H 0.554 0.020 2 409 45 45 LEU CD1 C 25.757 0.400 1 410 45 45 LEU CD2 C 21.354 0.400 1 411 45 45 LEU C C 177.746 0.400 1 412 46 46 LYS N N 121.362 0.400 1 413 46 46 LYS H H 6.897 0.020 1 414 46 46 LYS CA C 60.945 0.400 1 415 46 46 LYS HA H 3.637 0.020 1 416 46 46 LYS CB C 33.195 0.400 1 417 46 46 LYS HB2 H 1.996 0.020 2 418 46 46 LYS HB3 H 1.752 0.020 2 419 46 46 LYS CG C 24.725 0.400 1 420 46 46 LYS HG2 H 1.331 0.020 2 421 46 46 LYS HG3 H 1.331 0.020 2 422 46 46 LYS CD C 29.421 0.400 1 423 46 46 LYS HD2 H 1.458 0.020 2 424 46 46 LYS HD3 H 1.528 0.020 2 425 46 46 LYS CE C 41.634 0.400 1 426 46 46 LYS HE2 H 2.655 0.020 2 427 46 46 LYS HE3 H 2.537 0.020 2 428 46 46 LYS C C 173.375 0.400 1 429 47 47 ASP N N 110.253 0.400 1 430 47 47 ASP H H 7.924 0.020 1 431 47 47 ASP CA C 53.171 0.400 1 432 47 47 ASP HA H 4.580 0.020 1 433 47 47 ASP CB C 41.306 0.400 1 434 47 47 ASP HB2 H 3.541 0.020 2 435 47 47 ASP HB3 H 2.593 0.020 2 436 47 47 ASP C C 177.519 0.400 1 437 48 48 GLY N N 103.674 0.400 1 438 48 48 GLY H H 7.767 0.020 1 439 48 48 GLY CA C 48.062 0.400 1 440 48 48 GLY HA2 H 3.582 0.020 2 441 48 48 GLY HA3 H 4.246 0.020 2 442 48 48 GLY C C 174.009 0.400 1 443 49 49 VAL N N 122.677 0.400 1 444 49 49 VAL H H 8.251 0.020 1 445 49 49 VAL CA C 68.053 0.400 1 446 49 49 VAL HA H 3.263 0.020 1 447 49 49 VAL CB C 31.420 0.400 1 448 49 49 VAL HB H 2.186 0.020 1 449 49 49 VAL HG1 H 0.882 0.020 2 450 49 49 VAL HG2 H 0.920 0.020 2 451 49 49 VAL CG1 C 20.999 0.400 1 452 49 49 VAL CG2 C 23.678 0.400 1 453 49 49 VAL C C 178.169 0.400 1 454 50 50 VAL N N 119.408 0.400 1 455 50 50 VAL H H 8.845 0.020 1 456 50 50 VAL CA C 66.826 0.400 1 457 50 50 VAL HA H 3.386 0.020 1 458 50 50 VAL CB C 30.829 0.400 1 459 50 50 VAL HB H 1.884 0.020 1 460 50 50 VAL HG1 H 0.566 0.020 2 461 50 50 VAL HG2 H 1.133 0.020 2 462 50 50 VAL CG1 C 21.108 0.400 1 463 50 50 VAL CG2 C 23.105 0.400 1 464 50 50 VAL C C 177.600 0.400 1 465 51 51 LEU N N 117.454 0.400 1 466 51 51 LEU H H 8.421 0.020 1 467 51 51 LEU CA C 57.487 0.400 1 468 51 51 LEU HA H 3.560 0.020 1 469 51 51 LEU CB C 39.128 0.400 1 470 51 51 LEU HB2 H 1.420 0.020 2 471 51 51 LEU HB3 H 0.447 0.020 2 472 51 51 LEU CG C 25.706 0.400 1 473 51 51 LEU HG H 1.634 0.020 1 474 51 51 LEU HD1 H 0.622 0.020 2 475 51 51 LEU HD2 H 0.156 0.020 2 476 51 51 LEU CD1 C 26.194 0.400 1 477 51 51 LEU CD2 C 21.795 0.400 1 478 51 51 LEU C C 178.331 0.400 1 479 52 52 CYS N N 116.463 0.400 1 480 52 52 CYS H H 7.571 0.020 1 481 52 52 CYS CA C 65.816 0.400 1 482 52 52 CYS HA H 4.220 0.020 1 483 52 52 CYS CB C 27.397 0.400 1 484 52 52 CYS HB2 H 2.446 0.020 2 485 52 52 CYS HB3 H 3.116 0.020 2 486 52 52 CYS HG H 2.852 0.020 1 487 52 52 CYS C C 177.194 0.400 1 488 53 53 ARG N N 120.080 0.400 1 489 53 53 ARG H H 8.542 0.020 1 490 53 53 ARG CA C 59.205 0.400 1 491 53 53 ARG HA H 3.888 0.020 1 492 53 53 ARG CB C 29.790 0.400 1 493 53 53 ARG HB2 H 1.742 0.020 2 494 53 53 ARG HB3 H 2.021 0.020 2 495 53 53 ARG CG C 27.581 0.400 1 496 53 53 ARG HG2 H 1.610 0.020 2 497 53 53 ARG HG3 H 1.828 0.020 2 498 53 53 ARG CD C 43.530 0.400 1 499 53 53 ARG HD2 H 3.176 0.020 2 500 53 53 ARG HD3 H 3.095 0.020 2 501 53 53 ARG NE N 84.234 0.400 1 502 53 53 ARG HE H 7.137 0.020 1 503 53 53 ARG C C 180.000 0.400 1 504 54 54 LEU N N 121.118 0.400 1 505 54 54 LEU H H 8.942 0.020 1 506 54 54 LEU CA C 57.776 0.400 1 507 54 54 LEU HA H 3.746 0.020 1 508 54 54 LEU CB C 42.102 0.400 1 509 54 54 LEU HB2 H 2.330 0.020 2 510 54 54 LEU HB3 H 1.154 0.020 2 511 54 54 LEU CG C 26.772 0.400 1 512 54 54 LEU HG H 1.283 0.020 1 513 54 54 LEU HD1 H 0.214 0.020 2 514 54 54 LEU HD2 H 0.707 0.020 2 515 54 54 LEU CD1 C 22.858 0.400 1 516 54 54 LEU CD2 C 26.030 0.400 1 517 54 54 LEU C C 177.096 0.400 1 518 55 55 LEU N N 118.269 0.400 1 519 55 55 LEU H H 8.119 0.020 1 520 55 55 LEU CA C 57.732 0.400 1 521 55 55 LEU HA H 4.056 0.020 1 522 55 55 LEU CB C 41.364 0.400 1 523 55 55 LEU HB2 H 1.999 0.020 2 524 55 55 LEU HB3 H 1.718 0.020 2 525 55 55 LEU CG C 26.993 0.400 1 526 55 55 LEU HG H 1.883 0.020 1 527 55 55 LEU HD1 H 0.935 0.020 2 528 55 55 LEU HD2 H 0.848 0.020 2 529 55 55 LEU CD1 C 23.762 0.400 1 530 55 55 LEU CD2 C 26.085 0.400 1 531 55 55 LEU C C 177.421 0.400 1 532 56 56 GLU N N 116.708 0.400 1 533 56 56 GLU H H 7.621 0.020 1 534 56 56 GLU CA C 57.270 0.400 1 535 56 56 GLU HA H 4.167 0.020 1 536 56 56 GLU CB C 29.529 0.400 1 537 56 56 GLU HB2 H 2.040 0.020 2 538 56 56 GLU HB3 H 1.793 0.020 2 539 56 56 GLU CG C 35.000 0.400 1 540 56 56 GLU HG2 H 2.245 0.020 2 541 56 56 GLU HG3 H 2.315 0.020 2 542 56 56 GLU C C 177.437 0.400 1 543 57 57 ARG N N 117.239 0.400 1 544 57 57 ARG H H 7.593 0.020 1 545 57 57 ARG CA C 56.722 0.400 1 546 57 57 ARG HA H 4.112 0.020 1 547 57 57 ARG CB C 29.153 0.400 1 548 57 57 ARG HB2 H 2.072 0.020 2 549 57 57 ARG HB3 H 1.813 0.020 2 550 57 57 ARG CG C 27.206 0.400 1 551 57 57 ARG HG2 H 1.580 0.020 2 552 57 57 ARG HG3 H 1.467 0.020 2 553 57 57 ARG CD C 41.832 0.400 1 554 57 57 ARG HD2 H 3.315 0.020 2 555 57 57 ARG HD3 H 3.124 0.020 2 556 57 57 ARG NE N 84.118 0.400 1 557 57 57 ARG HE H 7.264 0.020 1 558 57 57 ARG C C 177.779 0.400 1 559 58 58 LEU N N 117.747 0.400 1 560 58 58 LEU H H 7.722 0.020 1 561 58 58 LEU CA C 56.621 0.400 1 562 58 58 LEU HA H 4.252 0.020 1 563 58 58 LEU CB C 43.515 0.400 1 564 58 58 LEU HB2 H 1.871 0.020 2 565 58 58 LEU HB3 H 1.487 0.020 2 566 58 58 LEU CG C 26.166 0.400 1 567 58 58 LEU HG H 1.931 0.020 1 568 58 58 LEU HD1 H 1.002 0.020 2 569 58 58 LEU HD2 H 0.994 0.020 2 570 58 58 LEU CD1 C 25.811 0.400 1 571 58 58 LEU CD2 C 21.764 0.400 1 572 58 58 LEU C C 176.820 0.400 1 573 59 59 LEU N N 119.714 0.400 1 574 59 59 LEU H H 8.667 0.020 1 575 59 59 LEU CA C 51.671 0.400 1 576 59 59 LEU HA H 4.674 0.020 1 577 59 59 LEU CB C 43.202 0.400 1 578 59 59 LEU HB2 H 1.624 0.020 2 579 59 59 LEU HB3 H 1.348 0.020 2 580 59 59 LEU CG C 26.194 0.400 1 581 59 59 LEU HG H 1.402 0.020 1 582 59 59 LEU HD1 H 0.842 0.020 2 583 59 59 LEU HD2 H 0.882 0.020 2 584 59 59 LEU CD1 C 25.702 0.400 1 585 59 59 LEU CD2 C 23.897 0.400 1 586 60 60 PRO CD C 49.631 0.400 1 587 60 60 PRO CA C 63.386 0.400 1 588 60 60 PRO HA H 4.468 0.020 1 589 60 60 PRO CB C 31.504 0.400 1 590 60 60 PRO HB2 H 1.804 0.020 2 591 60 60 PRO HB3 H 2.319 0.020 2 592 60 60 PRO CG C 27.131 0.400 1 593 60 60 PRO HG2 H 1.991 0.020 2 594 60 60 PRO HG3 H 2.046 0.020 2 595 60 60 PRO HD2 H 3.550 0.020 2 596 60 60 PRO HD3 H 3.338 0.020 2 597 60 60 PRO C C 178.412 0.400 1 598 61 61 GLY N N 113.118 0.400 1 599 61 61 GLY H H 10.087 0.020 1 600 61 61 GLY CA C 44.892 0.400 1 601 61 61 GLY HA2 H 3.793 0.020 2 602 61 61 GLY HA3 H 4.192 0.020 2 603 61 61 GLY C C 175.146 0.400 1 604 62 62 THR N N 116.843 0.400 1 605 62 62 THR H H 8.327 0.020 1 606 62 62 THR CA C 64.806 0.400 1 607 62 62 THR HA H 3.994 0.020 1 608 62 62 THR CB C 69.569 0.400 1 609 62 62 THR HB H 3.915 0.020 1 610 62 62 THR HG2 H 1.107 0.020 1 611 62 62 THR CG2 C 22.105 0.400 1 612 62 62 THR C C 174.610 0.400 1 613 63 63 ILE N N 121.790 0.400 1 614 63 63 ILE H H 8.436 0.020 1 615 63 63 ILE CA C 58.426 0.400 1 616 63 63 ILE HA H 4.136 0.020 1 617 63 63 ILE CB C 36.257 0.400 1 618 63 63 ILE HB H 2.064 0.020 1 619 63 63 ILE HG2 H 0.761 0.020 1 620 63 63 ILE CG2 C 17.605 0.400 1 621 63 63 ILE CG1 C 25.839 0.400 1 622 63 63 ILE HG12 H 1.602 0.020 2 623 63 63 ILE HG13 H 1.821 0.020 2 624 63 63 ILE HD1 H 0.941 0.020 1 625 63 63 ILE CD1 C 10.867 0.400 1 626 63 63 ILE C C 176.284 0.400 1 627 64 64 GLU N N 127.774 0.400 1 628 64 64 GLU H H 9.239 0.020 1 629 64 64 GLU CA C 56.881 0.400 1 630 64 64 GLU HA H 4.258 0.020 1 631 64 64 GLU CB C 30.872 0.400 1 632 64 64 GLU HB2 H 1.936 0.020 2 633 64 64 GLU HB3 H 1.934 0.020 2 634 64 64 GLU CG C 35.982 0.400 1 635 64 64 GLU HG2 H 2.072 0.020 2 636 64 64 GLU HG3 H 2.236 0.020 2 637 64 64 GLU C C 175.796 0.400 1 638 65 65 LYS N N 119.714 0.400 1 639 65 65 LYS H H 7.215 0.020 1 640 65 65 LYS CA C 55.538 0.400 1 641 65 65 LYS HA H 4.290 0.020 1 642 65 65 LYS CB C 33.775 0.400 1 643 65 65 LYS HB2 H 1.544 0.020 2 644 65 65 LYS HB3 H 1.544 0.020 2 645 65 65 LYS CG C 23.762 0.400 1 646 65 65 LYS HG2 H 0.981 0.020 2 647 65 65 LYS HG3 H 0.981 0.020 2 648 65 65 LYS CD C 28.556 0.400 1 649 65 65 LYS HD2 H 1.443 0.020 2 650 65 65 LYS HD3 H 1.443 0.020 2 651 65 65 LYS CE C 41.749 0.400 1 652 65 65 LYS HE2 H 2.561 0.020 2 653 65 65 LYS HE3 H 2.701 0.020 2 654 65 65 LYS C C 180.000 0.400 1 655 66 66 VAL N N 123.245 0.400 1 656 66 66 VAL H H 7.962 0.020 1 657 66 66 VAL CA C 59.631 0.400 1 658 66 66 VAL HA H 4.213 0.020 1 659 66 66 VAL CB C 35.643 0.400 1 660 66 66 VAL HB H 1.748 0.020 1 661 66 66 VAL HG1 H 0.696 0.020 2 662 66 66 VAL HG2 H 0.773 0.020 2 663 66 66 VAL CG1 C 19.303 0.400 1 664 66 66 VAL CG2 C 21.327 0.400 1 665 66 66 VAL C C 174.074 0.400 1 666 67 67 TYR N N 127.286 0.400 1 667 67 67 TYR H H 9.599 0.020 1 668 67 67 TYR CA C 55.333 0.400 1 669 67 67 TYR HA H 4.823 0.020 1 670 67 67 TYR CB C 37.854 0.400 1 671 67 67 TYR HB2 H 2.839 0.020 2 672 67 67 TYR HB3 H 2.839 0.020 2 673 67 67 TYR CD1 C 133.935 0.400 1 674 67 67 TYR HD1 H 7.201 0.020 1 675 67 67 TYR CE1 C 117.590 0.400 1 676 67 67 TYR HE1 H 6.787 0.020 1 677 67 67 TYR CE2 C 117.820 0.400 1 678 67 67 TYR HE2 H 6.787 0.020 1 679 67 67 TYR CD2 C 133.874 0.400 1 680 67 67 TYR HD2 H 7.201 0.020 1 681 68 68 PRO CD C 51.161 0.400 1 682 68 68 PRO CA C 63.938 0.400 1 683 68 68 PRO HA H 4.185 0.020 1 684 68 68 PRO CB C 32.127 0.400 1 685 68 68 PRO HB2 H 2.233 0.020 2 686 68 68 PRO HB3 H 1.981 0.020 2 687 68 68 PRO CG C 27.056 0.400 1 688 68 68 PRO HG2 H 1.978 0.020 2 689 68 68 PRO HG3 H 1.869 0.020 2 690 68 68 PRO HD2 H 3.913 0.020 2 691 68 68 PRO HD3 H 3.915 0.020 2 692 68 68 PRO C C 175.845 0.400 1 693 69 69 GLU N N 117.576 0.400 1 694 69 69 GLU H H 8.262 0.020 1 695 69 69 GLU CA C 53.027 0.400 1 696 69 69 GLU HA H 4.579 0.020 1 697 69 69 GLU CB C 30.000 0.400 1 698 69 69 GLU HB2 H 1.834 0.020 2 699 69 69 GLU HB3 H 1.942 0.020 2 700 69 69 GLU CG C 36.010 0.400 1 701 69 69 GLU HG2 H 2.148 0.020 2 702 69 69 GLU HG3 H 2.091 0.020 2 703 70 70 PRO CD C 49.408 0.400 1 704 70 70 PRO CA C 62.987 0.400 1 705 70 70 PRO HA H 4.484 0.020 1 706 70 70 PRO CB C 33.650 0.400 1 707 70 70 PRO HB2 H 2.243 0.020 2 708 70 70 PRO HB3 H 2.104 0.020 2 709 70 70 PRO CG C 28.631 0.400 1 710 70 70 PRO HG2 H 2.348 0.020 2 711 70 70 PRO HG3 H 2.041 0.020 2 712 70 70 PRO HD2 H 3.611 0.020 2 713 70 70 PRO HD3 H 3.459 0.020 2 714 70 70 PRO C C 178.542 0.400 1 715 71 71 ARG N N 121.854 0.400 1 716 71 71 ARG H H 9.095 0.020 1 717 71 71 ARG CA C 55.005 0.400 1 718 71 71 ARG HA H 4.484 0.020 1 719 71 71 ARG CB C 31.536 0.400 1 720 71 71 ARG HB2 H 1.972 0.020 2 721 71 71 ARG HB3 H 1.729 0.020 2 722 71 71 ARG CG C 26.456 0.400 1 723 71 71 ARG HG2 H 1.744 0.020 2 724 71 71 ARG HG3 H 1.757 0.020 2 725 71 71 ARG CD C 42.957 0.400 1 726 71 71 ARG HD2 H 3.221 0.020 2 727 71 71 ARG HD3 H 3.186 0.020 2 728 71 71 ARG NE N 85.036 0.400 1 729 71 71 ARG HE H 7.255 0.020 1 730 71 71 ARG C C 175.162 0.400 1 731 72 72 SER N N 111.595 0.400 1 732 72 72 SER H H 7.419 0.020 1 733 72 72 SER CA C 55.769 0.400 1 734 72 72 SER HA H 4.723 0.020 1 735 72 72 SER CB C 66.710 0.400 1 736 72 72 SER HB2 H 3.775 0.020 2 737 72 72 SER HB3 H 4.137 0.020 2 738 72 72 SER C C 174.269 0.400 1 739 73 73 GLU N N 123.839 0.400 1 740 73 73 GLU H H 9.170 0.020 1 741 73 73 GLU CA C 59.681 0.400 1 742 73 73 GLU HA H 3.742 0.020 1 743 73 73 GLU CB C 29.688 0.400 1 744 73 73 GLU HB2 H 2.189 0.020 2 745 73 73 GLU HB3 H 1.910 0.020 2 746 73 73 GLU CG C 35.907 0.400 1 747 73 73 GLU HG2 H 1.839 0.020 2 748 73 73 GLU HG3 H 1.840 0.020 2 749 73 73 GLU C C 177.519 0.400 1 750 74 74 SER N N 111.982 0.400 1 751 74 74 SER H H 8.345 0.020 1 752 74 74 SER CA C 61.574 0.400 1 753 74 74 SER HA H 3.949 0.020 1 754 74 74 SER CB C 62.014 0.400 1 755 74 74 SER HB2 H 3.781 0.020 2 756 74 74 SER HB3 H 3.780 0.020 2 757 74 74 SER C C 177.454 0.400 1 758 75 75 GLU N N 122.828 0.400 1 759 75 75 GLU H H 7.396 0.020 1 760 75 75 GLU CA C 59.353 0.400 1 761 75 75 GLU HA H 3.585 0.020 1 762 75 75 GLU CB C 30.367 0.400 1 763 75 75 GLU HB2 H 1.776 0.020 2 764 75 75 GLU HB3 H 1.450 0.020 2 765 75 75 GLU CG C 35.982 0.400 1 766 75 75 GLU HG2 H 1.814 0.020 2 767 75 75 GLU HG3 H 0.703 0.020 2 768 75 75 GLU C C 177.795 0.400 1 769 76 76 CYS N N 117.772 0.400 1 770 76 76 CYS H H 7.563 0.020 1 771 76 76 CYS CA C 62.510 0.400 1 772 76 76 CYS HA H 4.357 0.020 1 773 76 76 CYS CB C 27.899 0.400 1 774 76 76 CYS HB2 H 2.819 0.020 2 775 76 76 CYS HB3 H 3.114 0.020 2 776 76 76 CYS C C 177.242 0.400 1 777 77 77 LEU N N 117.705 0.400 1 778 77 77 LEU H H 8.508 0.020 1 779 77 77 LEU CA C 57.636 0.400 1 780 77 77 LEU HA H 3.838 0.020 1 781 77 77 LEU CB C 41.207 0.400 1 782 77 77 LEU HB2 H 1.191 0.020 2 783 77 77 LEU HB3 H 1.711 0.020 2 784 77 77 LEU CG C 26.667 0.400 1 785 77 77 LEU HG H 1.234 0.020 1 786 77 77 LEU HD1 H 0.689 0.020 2 787 77 77 LEU HD2 H 0.572 0.020 2 788 77 77 LEU CD1 C 25.706 0.400 1 789 77 77 LEU CD2 C 22.678 0.400 1 790 77 77 LEU C C 179.176 0.400 1 791 78 78 SER N N 113.930 0.400 1 792 78 78 SER H H 8.071 0.020 1 793 78 78 SER CA C 62.179 0.400 1 794 78 78 SER HA H 4.166 0.020 1 795 78 78 SER CB C 62.602 0.400 1 796 78 78 SER HB2 H 4.299 0.020 2 797 78 78 SER HB3 H 4.125 0.020 2 798 78 78 SER C C 177.112 0.400 1 799 79 79 ASN N N 119.430 0.400 1 800 79 79 ASN H H 7.836 0.020 1 801 79 79 ASN CA C 55.177 0.400 1 802 79 79 ASN HA H 4.547 0.020 1 803 79 79 ASN CB C 37.819 0.400 1 804 79 79 ASN HB2 H 2.843 0.020 2 805 79 79 ASN HB3 H 3.884 0.020 2 806 79 79 ASN ND2 N 108.666 0.400 1 807 79 79 ASN HD21 H 7.406 0.020 2 808 79 79 ASN HD22 H 8.105 0.020 2 809 79 79 ASN C C 176.901 0.400 1 810 80 80 ILE N N 119.469 0.400 1 811 80 80 ILE H H 8.373 0.020 1 812 80 80 ILE CA C 66.480 0.400 1 813 80 80 ILE HA H 3.636 0.020 1 814 80 80 ILE CB C 39.172 0.400 1 815 80 80 ILE HB H 1.921 0.020 1 816 80 80 ILE HG2 H 1.268 0.020 1 817 80 80 ILE CG2 C 19.030 0.400 1 818 80 80 ILE CG1 C 29.647 0.400 1 819 80 80 ILE HG12 H 2.162 0.020 2 820 80 80 ILE HG13 H 0.869 0.020 2 821 80 80 ILE HD1 H 1.269 0.020 1 822 80 80 ILE CD1 C 14.080 0.400 1 823 80 80 ILE C C 177.990 0.400 1 824 81 81 ARG N N 117.402 0.400 1 825 81 81 ARG H H 9.063 0.020 1 826 81 81 ARG CA C 60.412 0.400 1 827 81 81 ARG HA H 3.992 0.020 1 828 81 81 ARG CB C 29.617 0.400 1 829 81 81 ARG HB2 H 1.907 0.020 2 830 81 81 ARG HB3 H 2.052 0.020 2 831 81 81 ARG CG C 29.663 0.400 1 832 81 81 ARG HG2 H 1.580 0.020 2 833 81 81 ARG HG3 H 1.580 0.020 2 834 81 81 ARG CD C 43.311 0.400 1 835 81 81 ARG HD2 H 3.201 0.020 2 836 81 81 ARG HD3 H 3.130 0.020 2 837 81 81 ARG NE N 84.310 0.400 1 838 81 81 ARG HE H 7.183 0.020 1 839 81 81 ARG C C 178.656 0.400 1 840 82 82 GLU N N 124.127 0.400 1 841 82 82 GLU H H 8.445 0.020 1 842 82 82 GLU CA C 58.642 0.400 1 843 82 82 GLU HA H 4.545 0.020 1 844 82 82 GLU CB C 28.649 0.400 1 845 82 82 GLU HB2 H 2.339 0.020 2 846 82 82 GLU HB3 H 2.339 0.020 2 847 82 82 GLU CG C 35.000 0.400 1 848 82 82 GLU HG2 H 2.516 0.020 2 849 82 82 GLU HG3 H 2.947 0.020 2 850 82 82 GLU C C 178.640 0.400 1 851 83 83 PHE N N 121.118 0.400 1 852 83 83 PHE H H 7.844 0.020 1 853 83 83 PHE CA C 61.326 0.400 1 854 83 83 PHE HA H 4.146 0.020 1 855 83 83 PHE CB C 38.116 0.400 1 856 83 83 PHE HB2 H 3.515 0.020 2 857 83 83 PHE HB3 H 3.209 0.020 2 858 83 83 PHE HD1 H 7.114 0.020 1 859 83 83 PHE HD2 H 7.114 0.020 1 860 83 83 PHE C C 176.901 0.400 1 861 84 84 LEU N N 120.202 0.400 1 862 84 84 LEU H H 8.494 0.020 1 863 84 84 LEU CA C 57.676 0.400 1 864 84 84 LEU HA H 3.499 0.020 1 865 84 84 LEU CB C 41.306 0.400 1 866 84 84 LEU HB2 H 1.902 0.020 2 867 84 84 LEU HB3 H 1.312 0.020 2 868 84 84 LEU CG C 26.060 0.400 1 869 84 84 LEU HG H 1.887 0.020 1 870 84 84 LEU HD1 H 0.748 0.020 2 871 84 84 LEU HD2 H 0.136 0.020 2 872 84 84 LEU CD1 C 25.866 0.400 1 873 84 84 LEU CD2 C 20.830 0.400 1 874 84 84 LEU C C 180.167 0.400 1 875 85 85 ARG N N 122.767 0.400 1 876 85 85 ARG H H 8.747 0.020 1 877 85 85 ARG CA C 58.863 0.400 1 878 85 85 ARG HA H 3.932 0.020 1 879 85 85 ARG CB C 29.169 0.400 1 880 85 85 ARG HB2 H 1.946 0.020 2 881 85 85 ARG HB3 H 1.946 0.020 2 882 85 85 ARG CG C 25.371 0.400 1 883 85 85 ARG HG2 H 1.498 0.020 2 884 85 85 ARG HG3 H 1.645 0.020 2 885 85 85 ARG CD C 42.242 0.400 1 886 85 85 ARG HD2 H 3.035 0.020 2 887 85 85 ARG HD3 H 3.333 0.020 2 888 85 85 ARG NE N 81.892 0.400 1 889 85 85 ARG HE H 7.982 0.020 1 890 85 85 ARG C C 179.582 0.400 1 891 86 86 GLY N N 108.050 0.400 1 892 86 86 GLY H H 8.558 0.020 1 893 86 86 GLY CA C 47.052 0.400 1 894 86 86 GLY HA2 H 3.405 0.020 2 895 86 86 GLY HA3 H 3.720 0.020 2 896 86 86 GLY C C 176.040 0.400 1 897 87 87 CYS N N 120.507 0.400 1 898 87 87 CYS H H 8.304 0.020 1 899 87 87 CYS CA C 63.809 0.400 1 900 87 87 CYS HA H 3.756 0.020 1 901 87 87 CYS CB C 26.744 0.400 1 902 87 87 CYS HB2 H 2.268 0.020 2 903 87 87 CYS HB3 H 2.462 0.020 2 904 87 87 CYS HG H 1.315 0.020 1 905 87 87 CYS C C 176.787 0.400 1 906 88 88 GLY N N 106.363 0.400 1 907 88 88 GLY H H 7.858 0.020 1 908 88 88 GLY CA C 46.676 0.400 1 909 88 88 GLY HA2 H 3.810 0.020 2 910 88 88 GLY HA3 H 3.814 0.020 2 911 88 88 GLY C C 176.089 0.400 1 912 89 89 ALA N N 121.484 0.400 1 913 89 89 ALA H H 7.957 0.020 1 914 89 89 ALA CA C 53.633 0.400 1 915 89 89 ALA HA H 4.241 0.020 1 916 89 89 ALA HB H 1.440 0.020 1 917 89 89 ALA CB C 18.693 0.400 1 918 89 89 ALA C C 178.932 0.400 1 919 90 90 SER N N 110.554 0.400 1 920 90 90 SER H H 7.722 0.020 1 921 90 90 SER CA C 59.752 0.400 1 922 90 90 SER HA H 4.464 0.020 1 923 90 90 SER CB C 64.487 0.400 1 924 90 90 SER HB2 H 3.798 0.020 2 925 90 90 SER HB3 H 3.732 0.020 2 926 90 90 SER C C 174.529 0.400 1 927 91 91 LEU N N 120.202 0.400 1 928 91 91 LEU H H 7.746 0.020 1 929 91 91 LEU CA C 54.412 0.400 1 930 91 91 LEU HA H 4.506 0.020 1 931 91 91 LEU CB C 44.626 0.400 1 932 91 91 LEU HB2 H 1.735 0.020 2 933 91 91 LEU HB3 H 1.429 0.020 2 934 91 91 LEU CG C 26.381 0.400 1 935 91 91 LEU HG H 1.489 0.020 1 936 91 91 LEU HD1 H 0.744 0.020 2 937 91 91 LEU HD2 H 0.816 0.020 2 938 91 91 LEU CD1 C 26.349 0.400 1 939 91 91 LEU CD2 C 22.636 0.400 1 940 91 91 LEU C C 176.007 0.400 1 941 92 92 ARG N N 116.660 0.400 1 942 92 92 ARG H H 7.962 0.020 1 943 92 92 ARG CA C 56.144 0.400 1 944 92 92 ARG HA H 4.184 0.020 1 945 92 92 ARG CB C 27.566 0.400 1 946 92 92 ARG HB2 H 1.875 0.020 2 947 92 92 ARG HB3 H 1.807 0.020 2 948 92 92 ARG CG C 26.756 0.400 1 949 92 92 ARG HG2 H 1.510 0.020 2 950 92 92 ARG HG3 H 1.508 0.020 2 951 92 92 ARG CD C 42.957 0.400 1 952 92 92 ARG HD2 H 3.148 0.020 2 953 92 92 ARG HD3 H 3.149 0.020 2 954 92 92 ARG NE N 84.557 0.400 1 955 92 92 ARG HE H 7.107 0.020 1 956 92 92 ARG C C 174.919 0.400 1 957 93 93 LEU N N 119.225 0.400 1 958 93 93 LEU H H 7.092 0.020 1 959 93 93 LEU CA C 53.965 0.400 1 960 93 93 LEU HA H 4.382 0.020 1 961 93 93 LEU CB C 43.833 0.400 1 962 93 93 LEU HB2 H 1.465 0.020 2 963 93 93 LEU HB3 H 1.383 0.020 2 964 93 93 LEU CG C 26.175 0.400 1 965 93 93 LEU HG H 1.492 0.020 1 966 93 93 LEU HD1 H 0.829 0.020 2 967 93 93 LEU HD2 H 0.755 0.020 2 968 93 93 LEU CD1 C 25.264 0.400 1 969 93 93 LEU CD2 C 24.827 0.400 1 970 93 93 LEU C C 175.975 0.400 1 971 94 94 GLU N N 123.988 0.400 1 972 94 94 GLU H H 8.538 0.020 1 973 94 94 GLU CA C 56.376 0.400 1 974 94 94 GLU HA H 4.270 0.020 1 975 94 94 GLU CB C 29.559 0.400 1 976 94 94 GLU HB2 H 1.996 0.020 2 977 94 94 GLU HB3 H 1.952 0.020 2 978 94 94 GLU CG C 35.907 0.400 1 979 94 94 GLU HG2 H 2.238 0.020 2 980 94 94 GLU HG3 H 2.268 0.020 2 981 94 94 GLU C C 176.804 0.400 1 982 95 95 THR N N 115.988 0.400 1 983 95 95 THR H H 8.398 0.020 1 984 95 95 THR CA C 59.797 0.400 1 985 95 95 THR HA H 4.549 0.020 1 986 95 95 THR CB C 68.168 0.400 1 987 95 95 THR HB H 3.890 0.020 1 988 95 95 THR HG2 H 0.975 0.020 1 989 95 95 THR CG2 C 21.165 0.400 1 990 95 95 THR C C 172.952 0.400 1 991 96 96 PHE N N 117.515 0.400 1 992 96 96 PHE H H 7.393 0.020 1 993 96 96 PHE CA C 55.062 0.400 1 994 96 96 PHE HA H 4.809 0.020 1 995 96 96 PHE CB C 38.608 0.400 1 996 96 96 PHE HB2 H 3.514 0.020 2 997 96 96 PHE HB3 H 2.930 0.020 2 998 96 96 PHE CD1 C 133.891 0.400 1 999 96 96 PHE HD1 H 7.273 0.020 1 1000 96 96 PHE CE1 C 130.774 0.400 1 1001 96 96 PHE HE1 H 7.246 0.020 1 1002 96 96 PHE CZ C 129.000 0.400 1 1003 96 96 PHE HZ H 7.080 0.020 1 1004 96 96 PHE CE2 C 130.942 0.400 1 1005 96 96 PHE HE2 H 7.246 0.020 1 1006 96 96 PHE CD2 C 133.918 0.400 1 1007 96 96 PHE HD2 H 7.273 0.020 1 1008 96 96 PHE C C 172.091 0.400 1 1009 97 97 ASP N N 119.925 0.400 1 1010 97 97 ASP H H 9.205 0.020 1 1011 97 97 ASP CA C 53.201 0.400 1 1012 97 97 ASP HA H 4.844 0.020 1 1013 97 97 ASP CB C 43.473 0.400 1 1014 97 97 ASP HB2 H 2.791 0.020 2 1015 97 97 ASP HB3 H 2.605 0.020 2 1016 97 97 ASP C C 177.714 0.400 1 1017 98 98 ALA N N 128.568 0.400 1 1018 98 98 ALA H H 9.208 0.020 1 1019 98 98 ALA CA C 56.521 0.400 1 1020 98 98 ALA HA H 4.135 0.020 1 1021 98 98 ALA HB H 1.423 0.020 1 1022 98 98 ALA CB C 18.966 0.400 1 1023 98 98 ALA C C 179.095 0.400 1 1024 99 99 ASN N N 113.485 0.400 1 1025 99 99 ASN H H 8.787 0.020 1 1026 99 99 ASN CA C 56.072 0.400 1 1027 99 99 ASN HA H 4.557 0.020 1 1028 99 99 ASN CB C 38.262 0.400 1 1029 99 99 ASN HB2 H 2.841 0.020 2 1030 99 99 ASN HB3 H 2.723 0.020 2 1031 99 99 ASN ND2 N 112.684 0.400 1 1032 99 99 ASN HD21 H 7.825 0.020 2 1033 99 99 ASN HD22 H 6.761 0.020 2 1034 99 99 ASN C C 177.779 0.400 1 1035 100 100 ASP N N 121.301 0.400 1 1036 100 100 ASP H H 8.223 0.020 1 1037 100 100 ASP CA C 57.815 0.400 1 1038 100 100 ASP HA H 4.351 0.020 1 1039 100 100 ASP CB C 39.632 0.400 1 1040 100 100 ASP HB2 H 2.894 0.020 2 1041 100 100 ASP HB3 H 3.116 0.020 2 1042 100 100 ASP C C 177.210 0.400 1 1043 101 101 LEU N N 115.787 0.400 1 1044 101 101 LEU H H 6.969 0.020 1 1045 101 101 LEU CA C 56.477 0.400 1 1046 101 101 LEU HA H 4.492 0.020 1 1047 101 101 LEU CB C 42.208 0.400 1 1048 101 101 LEU HB2 H 2.100 0.020 2 1049 101 101 LEU HB3 H 1.439 0.020 2 1050 101 101 LEU CG C 27.501 0.400 1 1051 101 101 LEU HG H 1.619 0.020 1 1052 101 101 LEU HD1 H 0.986 0.020 2 1053 101 101 LEU HD2 H 1.032 0.020 2 1054 101 101 LEU CD1 C 22.749 0.400 1 1055 101 101 LEU CD2 C 27.124 0.400 1 1056 101 101 LEU C C 177.990 0.400 1 1057 102 102 TYR N N 119.103 0.400 1 1058 102 102 TYR H H 8.477 0.020 1 1059 102 102 TYR CA C 62.539 0.400 1 1060 102 102 TYR HA H 4.046 0.020 1 1061 102 102 TYR CB C 39.446 0.400 1 1062 102 102 TYR HB2 H 3.040 0.020 2 1063 102 102 TYR HB3 H 2.997 0.020 2 1064 102 102 TYR CD1 C 133.307 0.400 1 1065 102 102 TYR HD1 H 7.224 0.020 1 1066 102 102 TYR CE1 C 117.785 0.400 1 1067 102 102 TYR HE1 H 6.869 0.020 1 1068 102 102 TYR CE2 C 117.910 0.400 1 1069 102 102 TYR HE2 H 6.869 0.020 1 1070 102 102 TYR CD2 C 133.272 0.400 1 1071 102 102 TYR HD2 H 7.224 0.020 1 1072 102 102 TYR C C 175.926 0.400 1 1073 103 103 GLN N N 110.722 0.400 1 1074 103 103 GLN H H 7.892 0.020 1 1075 103 103 GLN CA C 54.960 0.400 1 1076 103 103 GLN HA H 4.274 0.020 1 1077 103 103 GLN CB C 28.576 0.400 1 1078 103 103 GLN HB2 H 2.371 0.020 2 1079 103 103 GLN HB3 H 1.981 0.020 2 1080 103 103 GLN CG C 33.356 0.400 1 1081 103 103 GLN HG2 H 2.643 0.020 2 1082 103 103 GLN HG3 H 2.517 0.020 2 1083 103 103 GLN NE2 N 111.471 0.400 1 1084 103 103 GLN HE21 H 7.709 0.020 2 1085 103 103 GLN HE22 H 6.896 0.020 2 1086 103 103 GLN C C 177.015 0.400 1 1087 104 104 GLY N N 107.956 0.400 1 1088 104 104 GLY H H 7.474 0.020 1 1089 104 104 GLY CA C 46.416 0.400 1 1090 104 104 GLY HA2 H 3.713 0.020 2 1091 104 104 GLY HA3 H 3.856 0.020 2 1092 104 104 GLY C C 174.659 0.400 1 1093 105 105 GLN N N 117.340 0.400 1 1094 105 105 GLN H H 8.086 0.020 1 1095 105 105 GLN CA C 55.524 0.400 1 1096 105 105 GLN HA H 4.379 0.020 1 1097 105 105 GLN CB C 29.982 0.400 1 1098 105 105 GLN HB2 H 2.077 0.020 2 1099 105 105 GLN HB3 H 1.819 0.020 2 1100 105 105 GLN CG C 33.506 0.400 1 1101 105 105 GLN HG2 H 2.282 0.020 2 1102 105 105 GLN HG3 H 2.281 0.020 2 1103 105 105 GLN NE2 N 111.762 0.400 1 1104 105 105 GLN HE21 H 7.427 0.020 2 1105 105 105 GLN HE22 H 6.848 0.020 2 1106 105 105 GLN C C 175.715 0.400 1 1107 106 106 ASN N N 115.988 0.400 1 1108 106 106 ASN H H 8.634 0.020 1 1109 106 106 ASN CA C 53.028 0.400 1 1110 106 106 ASN HA H 4.650 0.020 1 1111 106 106 ASN CB C 37.181 0.400 1 1112 106 106 ASN HB2 H 2.902 0.020 2 1113 106 106 ASN HB3 H 2.722 0.020 2 1114 106 106 ASN ND2 N 113.685 0.400 1 1115 106 106 ASN HD21 H 7.808 0.020 2 1116 106 106 ASN HD22 H 6.938 0.020 2 1117 106 106 ASN C C 175.406 0.400 1 1118 107 107 PHE N N 121.790 0.400 1 1119 107 107 PHE H H 8.954 0.020 1 1120 107 107 PHE CA C 61.428 0.400 1 1121 107 107 PHE HA H 4.006 0.020 1 1122 107 107 PHE CB C 38.537 0.400 1 1123 107 107 PHE HB2 H 3.111 0.020 2 1124 107 107 PHE HB3 H 2.844 0.020 2 1125 107 107 PHE CD1 C 131.766 0.400 1 1126 107 107 PHE HD1 H 7.189 0.020 1 1127 107 107 PHE CE1 C 129.891 0.400 1 1128 107 107 PHE HE1 H 6.986 0.020 1 1129 107 107 PHE CZ C 127.464 0.400 1 1130 107 107 PHE HZ H 6.753 0.020 1 1131 107 107 PHE CE2 C 129.936 0.400 1 1132 107 107 PHE HE2 H 6.986 0.020 1 1133 107 107 PHE CD2 C 131.832 0.400 1 1134 107 107 PHE HD2 H 7.189 0.020 1 1135 107 107 PHE C C 176.674 0.400 1 1136 108 108 ASN N N 116.351 0.400 1 1137 108 108 ASN H H 8.838 0.020 1 1138 108 108 ASN CA C 56.448 0.400 1 1139 108 108 ASN HA H 4.141 0.020 1 1140 108 108 ASN CB C 36.992 0.400 1 1141 108 108 ASN HB2 H 2.794 0.020 2 1142 108 108 ASN HB3 H 2.726 0.020 2 1143 108 108 ASN ND2 N 113.148 0.400 1 1144 108 108 ASN HD21 H 7.652 0.020 2 1145 108 108 ASN HD22 H 6.972 0.020 2 1146 108 108 ASN C C 177.779 0.400 1 1147 109 109 LYS N N 119.897 0.400 1 1148 109 109 LYS H H 7.476 0.020 1 1149 109 109 LYS CA C 58.546 0.400 1 1150 109 109 LYS HA H 4.052 0.020 1 1151 109 109 LYS CB C 32.560 0.400 1 1152 109 109 LYS HB2 H 1.936 0.020 2 1153 109 109 LYS HB3 H 1.865 0.020 2 1154 109 109 LYS CG C 24.990 0.400 1 1155 109 109 LYS HG2 H 1.480 0.020 2 1156 109 109 LYS HG3 H 1.549 0.020 2 1157 109 109 LYS CD C 28.931 0.400 1 1158 109 109 LYS HD2 H 1.763 0.020 2 1159 109 109 LYS HD3 H 1.766 0.020 2 1160 109 109 LYS CE C 41.855 0.400 1 1161 109 109 LYS HE2 H 3.025 0.020 2 1162 109 109 LYS HE3 H 3.025 0.020 2 1163 109 109 LYS C C 178.997 0.400 1 1164 110 110 VAL N N 121.057 0.400 1 1165 110 110 VAL H H 6.788 0.020 1 1166 110 110 VAL CA C 64.256 0.400 1 1167 110 110 VAL HA H 2.982 0.020 1 1168 110 110 VAL CB C 29.934 0.400 1 1169 110 110 VAL HB H 1.394 0.020 1 1170 110 110 VAL HG1 H 0.136 0.020 2 1171 110 110 VAL HG2 H 0.012 0.020 2 1172 110 110 VAL CG1 C 19.303 0.400 1 1173 110 110 VAL CG2 C 19.303 0.400 1 1174 110 110 VAL C C 177.665 0.400 1 1175 111 111 LEU N N 118.614 0.400 1 1176 111 111 LEU H H 7.699 0.020 1 1177 111 111 LEU CA C 57.616 0.400 1 1178 111 111 LEU HA H 3.607 0.020 1 1179 111 111 LEU CB C 40.932 0.400 1 1180 111 111 LEU HB2 H 1.390 0.020 2 1181 111 111 LEU HB3 H 1.214 0.020 2 1182 111 111 LEU CG C 24.581 0.400 1 1183 111 111 LEU HG H 0.751 0.020 1 1184 111 111 LEU HD1 H 0.797 0.020 2 1185 111 111 LEU HD2 H 0.733 0.020 2 1186 111 111 LEU CD1 C 24.389 0.400 1 1187 111 111 LEU CD2 C 24.772 0.400 1 1188 111 111 LEU C C 178.185 0.400 1 1189 112 112 SER N N 112.263 0.400 1 1190 112 112 SER H H 8.033 0.020 1 1191 112 112 SER CA C 61.578 0.400 1 1192 112 112 SER HA H 4.058 0.020 1 1193 112 112 SER CB C 62.397 0.400 1 1194 112 112 SER HB2 H 3.893 0.020 2 1195 112 112 SER HB3 H 3.891 0.020 2 1196 112 112 SER C C 177.210 0.400 1 1197 113 113 SER N N 117.745 0.400 1 1198 113 113 SER H H 7.578 0.020 1 1199 113 113 SER CA C 62.452 0.400 1 1200 113 113 SER HA H 4.440 0.020 1 1201 113 113 SER CB C 63.309 0.400 1 1202 113 113 SER HB2 H 4.151 0.020 2 1203 113 113 SER HB3 H 4.298 0.020 2 1204 113 113 SER C C 174.967 0.400 1 1205 114 114 LEU N N 121.403 0.400 1 1206 114 114 LEU H H 7.972 0.020 1 1207 114 114 LEU CA C 57.632 0.400 1 1208 114 114 LEU HA H 4.294 0.020 1 1209 114 114 LEU CB C 41.466 0.400 1 1210 114 114 LEU HB2 H 2.082 0.020 2 1211 114 114 LEU HB3 H 1.500 0.020 2 1212 114 114 LEU CG C 26.722 0.400 1 1213 114 114 LEU HG H 1.978 0.020 1 1214 114 114 LEU HD1 H 0.724 0.020 2 1215 114 114 LEU HD2 H 0.852 0.020 2 1216 114 114 LEU CD1 C 26.030 0.400 1 1217 114 114 LEU CD2 C 22.177 0.400 1 1218 114 114 LEU C C 179.030 0.400 1 1219 115 115 VAL N N 121.973 0.400 1 1220 115 115 VAL H H 8.367 0.020 1 1221 115 115 VAL CA C 65.986 0.400 1 1222 115 115 VAL HA H 3.617 0.020 1 1223 115 115 VAL CB C 31.333 0.400 1 1224 115 115 VAL HB H 2.136 0.020 1 1225 115 115 VAL HG1 H 0.830 0.020 2 1226 115 115 VAL HG2 H 0.924 0.020 2 1227 115 115 VAL CG1 C 20.905 0.400 1 1228 115 115 VAL CG2 C 22.105 0.400 1 1229 115 115 VAL C C 179.079 0.400 1 1230 116 116 THR N N 118.370 0.400 1 1231 116 116 THR H H 8.018 0.020 1 1232 116 116 THR CA C 66.800 0.400 1 1233 116 116 THR HA H 3.830 0.020 1 1234 116 116 THR CB C 67.811 0.400 1 1235 116 116 THR HB H 4.371 0.020 1 1236 116 116 THR HG2 H 1.270 0.020 1 1237 116 116 THR CG2 C 22.694 0.400 1 1238 116 116 THR C C 175.292 0.400 1 1239 117 117 LEU N N 122.462 0.400 1 1240 117 117 LEU H H 8.661 0.020 1 1241 117 117 LEU CA C 57.978 0.400 1 1242 117 117 LEU HA H 3.987 0.020 1 1243 117 117 LEU CB C 41.553 0.400 1 1244 117 117 LEU HB2 H 1.774 0.020 2 1245 117 117 LEU HB3 H 2.232 0.020 2 1246 117 117 LEU CG C 27.103 0.400 1 1247 117 117 LEU HG H 1.763 0.020 1 1248 117 117 LEU HD1 H 0.909 0.020 2 1249 117 117 LEU HD2 H 1.133 0.020 2 1250 117 117 LEU CD1 C 23.923 0.400 1 1251 117 117 LEU CD2 C 26.076 0.400 1 1252 117 117 LEU C C 178.542 0.400 1 1253 118 118 ASN N N 118.753 0.400 1 1254 118 118 ASN H H 7.736 0.020 1 1255 118 118 ASN CA C 56.036 0.400 1 1256 118 118 ASN HA H 3.549 0.020 1 1257 118 118 ASN CB C 37.236 0.400 1 1258 118 118 ASN HB2 H 0.822 0.020 2 1259 118 118 ASN HB3 H 2.352 0.020 2 1260 118 118 ASN ND2 N 108.194 0.400 1 1261 118 118 ASN HD21 H 5.527 0.020 2 1262 118 118 ASN HD22 H 6.121 0.020 2 1263 118 118 ASN C C 175.910 0.400 1 1264 119 119 LYS N N 118.814 0.400 1 1265 119 119 LYS H H 7.596 0.020 1 1266 119 119 LYS CA C 59.507 0.400 1 1267 119 119 LYS HA H 3.833 0.020 1 1268 119 119 LYS CB C 32.092 0.400 1 1269 119 119 LYS HB2 H 1.884 0.020 2 1270 119 119 LYS HB3 H 1.942 0.020 2 1271 119 119 LYS CG C 24.548 0.400 1 1272 119 119 LYS HG2 H 1.460 0.020 2 1273 119 119 LYS HG3 H 1.322 0.020 2 1274 119 119 LYS CD C 28.931 0.400 1 1275 119 119 LYS HD2 H 1.596 0.020 2 1276 119 119 LYS HD3 H 1.597 0.020 2 1277 119 119 LYS CE C 41.910 0.400 1 1278 119 119 LYS HE2 H 2.863 0.020 2 1279 119 119 LYS HE3 H 2.862 0.020 2 1280 119 119 LYS C C 179.501 0.400 1 1281 120 120 VAL N N 114.212 0.400 1 1282 120 120 VAL H H 8.651 0.020 1 1283 120 120 VAL CA C 64.531 0.400 1 1284 120 120 VAL HA H 4.082 0.020 1 1285 120 120 VAL CB C 31.747 0.400 1 1286 120 120 VAL HB H 2.297 0.020 1 1287 120 120 VAL HG1 H 1.031 0.020 2 1288 120 120 VAL HG2 H 1.121 0.020 2 1289 120 120 VAL CG1 C 21.063 0.400 1 1290 120 120 VAL CG2 C 21.166 0.400 1 1291 120 120 VAL C C 177.811 0.400 1 1292 121 121 THR N N 109.088 0.400 1 1293 121 121 THR H H 7.689 0.020 1 1294 121 121 THR CA C 62.697 0.400 1 1295 121 121 THR HA H 4.411 0.020 1 1296 121 121 THR CB C 69.654 0.400 1 1297 121 121 THR HB H 4.561 0.020 1 1298 121 121 THR HG2 H 1.377 0.020 1 1299 121 121 THR CG2 C 22.156 0.400 1 1300 121 121 THR C C 175.552 0.400 1 1301 122 122 ALA N N 125.515 0.400 1 1302 122 122 ALA H H 7.651 0.020 1 1303 122 122 ALA CA C 53.979 0.400 1 1304 122 122 ALA HA H 4.270 0.020 1 1305 122 122 ALA HB H 1.413 0.020 1 1306 122 122 ALA CB C 18.593 0.400 1 1307 122 122 ALA C C 178.526 0.400 1 1308 123 123 ASP N N 117.454 0.400 1 1309 123 123 ASP H H 8.163 0.020 1 1310 123 123 ASP CA C 54.441 0.400 1 1311 123 123 ASP HA H 4.633 0.020 1 1312 123 123 ASP CB C 40.701 0.400 1 1313 123 123 ASP HB2 H 2.755 0.020 2 1314 123 123 ASP HB3 H 2.663 0.020 2 1315 123 123 ASP C C 176.722 0.400 1 1316 124 124 ILE N N 118.859 0.400 1 1317 124 124 ILE H H 7.780 0.020 1 1318 124 124 ILE CA C 62.074 0.400 1 1319 124 124 ILE HA H 4.139 0.020 1 1320 124 124 ILE CB C 38.435 0.400 1 1321 124 124 ILE HB H 1.981 0.020 1 1322 124 124 ILE HG2 H 0.958 0.020 1 1323 124 124 ILE CG2 C 17.230 0.400 1 1324 124 124 ILE CG1 C 27.374 0.400 1 1325 124 124 ILE HG12 H 1.552 0.020 2 1326 124 124 ILE HG13 H 1.240 0.020 2 1327 124 124 ILE HD1 H 0.887 0.020 1 1328 124 124 ILE CD1 C 13.315 0.400 1 1329 124 124 ILE C C 176.657 0.400 1 1330 125 125 GLY N N 111.803 0.400 1 1331 125 125 GLY H H 8.323 0.020 1 1332 125 125 GLY CA C 45.334 0.400 1 1333 125 125 GLY HA2 H 3.953 0.020 2 1334 125 125 GLY HA3 H 3.953 0.020 2 1335 125 125 GLY C C 173.391 0.400 1 1336 126 126 LEU N N 127.225 0.400 1 1337 126 126 LEU H H 7.724 0.020 1 1338 126 126 LEU CA C 56.202 0.400 1 1339 126 126 LEU HA H 4.207 0.020 1 1340 126 126 LEU CB C 43.039 0.400 1 1341 126 126 LEU HB2 H 1.602 0.020 2 1342 126 126 LEU HB3 H 1.603 0.020 2 1343 126 126 LEU CG C 26.989 0.400 1 1344 126 126 LEU HG H 1.595 0.020 1 1345 126 126 LEU HD1 H 0.908 0.020 2 1346 126 126 LEU HD2 H 0.872 0.020 2 1347 126 126 LEU CD1 C 25.155 0.400 1 1348 126 126 LEU CD2 C 22.913 0.400 1 stop_ save_