save_monomeric_polymer _Saveframe_category monomeric_polymer _Mol_type . _Mol_polymer_class . _Name_common . _Residue_count 83 _Mol_residue_sequence ; MGHHHHHHSH MLPPEQWSHT TVRNALKDLL KDMNQSSLAK ECPLSQSMIS SIVNSTYYAN VSAAKCQEFG RWYKHFKKTK DMM ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 SER 10 HIS 11 MET 12 LEU 13 PRO 14 PRO 15 GLU 16 GLN 17 TRP 18 SER 19 HIS 20 THR 21 THR 22 VAL 23 ARG 24 ASN 25 ALA 26 LEU 27 LYS 28 ASP 29 LEU 30 LEU 31 LYS 32 ASP 33 MET 34 ASN 35 GLN 36 SER 37 SER 38 LEU 39 ALA 40 LYS 41 GLU 42 CYS 43 PRO 44 LEU 45 SER 46 GLN 47 SER 48 MET 49 ILE 50 SER 51 SER 52 ILE 53 VAL 54 ASN 55 SER 56 THR 57 TYR 58 TYR 59 ALA 60 ASN 61 VAL 62 SER 63 ALA 64 ALA 65 LYS 66 CYS 67 GLN 68 GLU 69 PHE 70 GLY 71 ARG 72 TRP 73 TYR 74 LYS 75 HIS 76 PHE 77 LYS 78 LYS 79 THR 80 LYS 81 ASP 82 MET 83 MET stop_ save_ save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code #___________________________________________________ 1 11 MET HA H 4.611 . 1 2 11 MET HB2 H 3.072 . 1 3 11 MET HB3 H 3.072 . 1 4 11 MET CA C 56.308 . 1 5 11 MET CB C 30.305 . 1 9000 11 MET C C 174.809 . 1 #___________________________________________________ 6 12 LEU H H 7.993 . 1 8886 12 LEU HA H 4.13 . 1 8887 12 LEU HB2 H 1.788 . 2 8888 12 LEU HB3 H 1.788 . 2 8889 12 LEU HG H 1.12 . 1 8890 12 LEU HD1 H 0.97 . 2 8891 12 LEU HD2 H 0.737 . 2 7 12 LEU CA C 61.053 . 1 8892 12 LEU CB C 38.62 . 1 8893 12 LEU CG C 27.31 . 1 8894 12 LEU CD1 C 17.65 . 2 8 12 LEU N N 122.279 . 1 #___________________________________________________ 8899 13 PRO HA H 4.687 . 2 9 13 PRO HB2 H 2.383 . 2 10 13 PRO HB3 H 1.914 . 2 8989 13 PRO HG2 H 2.022 . 2 8990 13 PRO HG3 H 2.022 . 2 11 13 PRO HD2 H 3.538 . 2 12 13 PRO HD3 H 3.891 . 2 13 13 PRO CA C 61.568 . 1 14 13 PRO CB C 31.219 . 1 15 13 PRO CG C 27.78 . 1 16 13 PRO CD C 50.672 . 1 #__________________________________________________ 17 14 PRO HA H 4.129 . 1 18 14 PRO HB2 H 1.799 . 2 19 14 PRO HB3 H 2.218 . 2 20 14 PRO HG2 H 1.686 . 2 21 14 PRO HG3 H 1.964 . 2 22 14 PRO HD2 H 3.634 . 2 23 14 PRO HD3 H 3.829 . 2 24 14 PRO CA C 64.68 . 1 25 14 PRO CB C 32.257 . 1 26 14 PRO CG C 27.601 . 1 27 14 PRO CD C 50.652 . 1 9002 14 PRO C C 177.029 . 1 #___________________________________________________ 28 15 GLU H H 8.997 . 1 29 15 GLU HA H 4.075 . 1 30 15 GLU HB2 H 1.978 . 2 31 15 GLU HB3 H 1.977 . 2 32 15 GLU HG2 H 2.235 . 2 1132 15 GLU HG3 H 2.235 . 2 33 15 GLU CA C 58.265 . 1 34 15 GLU CB C 29.104 . 1 35 15 GLU CG C 36.472 . 1 36 15 GLU N N 116.877 . 1 9003 15 GLU C C 176.86 . 1 #___________________________________________________ 37 16 GLN H H 8.364 . 1 38 16 GLN HA H 4.417 . 1 39 16 GLN HB2 H 1.872 . 2 40 16 GLN HB3 H 2.234 . 2 41 16 GLN HG2 H 2.269 . 2 42 16 GLN HG3 H 2.269 . 2 43 16 GLN CA C 55.521 . 1 44 16 GLN CB C 29.90 . 1 45 16 GLN CG C 34.052 . 1 46 16 GLN N N 119.163 . 1 8221 16 GLN NE2 N 112.4 . 1 8215 16 GLN HE21 H 6.81 . 2 8216 16 GLN HE22 H 7.55 . 2 9004 16 GLN C C 176.023 . 1 #___________________________________________________ 47 17 TRP H H 8.457 . 1 48 17 TRP HA H 4.216 . 1 49 17 TRP HB2 H 2.919 . 2 50 17 TRP HB3 H 3.059 . 2 51 17 TRP CA C 59.496 . 1 9952 17 TRP CB C 29.005 . 1 9950 17 TRP CD1 C 127.37 . 1 9951 17 TRP HD1 H 7.498 . 1 9949 17 TRP CZ2 C 114.6 . 1 9948 17 TRP HZ2 H 7.464 . 1 9947 17 TRP CH2 C 123.7 . 1 9946 17 TRP HH2 H 6.598 . 1 9945 17 TRP CZ3 C 121.06 . 1 9944 17 TRP HZ3 H 6.847 . 1 9943 17 TRP CE3 C 120.0 . 1 9942 17 TRP HE3 H 7.46 . 1 53 17 TRP N N 123.943 . 1 9953 17 TRP NE1 N 129.7 . 1 9954 17 TRP HE1 H 10.08 . 1 9005 17 TRP C C 174.779 . 1 #___________________________________________________ 54 18 SER H H 8.359 . 1 55 18 SER HA H 4.513 . 1 56 18 SER HB2 H 4.272 . 2 57 18 SER HB3 H 3.852 . 2 58 18 SER CA C 55.99 . 1 59 18 SER CB C 66.818 . 1 60 18 SER N N 117.131 . 1 #___________________________________________________ 61 19 HIS H H 8.835 . 1 62 19 HIS HA H 3.948 . 1 63 19 HIS HB2 H 2.929 . 2 64 19 HIS HB3 H 2.812 . 2 65 19 HIS CA C 61.370 . 1 66 19 HIS CB C 30.306 . 1 67 19 HIS N N 120.098 . 1 7767 19 HIS HD2 H 6.701 . 1 7766 19 HIS CD2 C 118.2 . 1 9007 19 HIS C C 177.241 . 1 #___________________________________________________ 68 20 THR H H 7.715 . 1 69 20 THR HB H 3.890 . 1 70 20 THR HA H 3.750 . 1 71 20 THR HG2 H 1.075 . 2 72 20 THR CA C 66.06 . 1 73 20 THR CB C 68.50 . 1 74 20 THR CG2 C 21.866 . 2 75 20 THR N N 114.052 . 1 9020 20 THR C C 175.401 . 1 #___________________________________________________ 76 21 THR H H 7.366 . 1 77 21 THR HA H 3.672 . 1 3377 21 THR HB H 3.748 . 1 78 21 THR HG2 H 0.205 . 2 79 21 THR CA C 65.14 . 1 80 21 THR CB C 68.660 . 1 81 21 THR CG2 C 22.584 . 2 82 21 THR N N 117.272 . 1 9021 21 THR C C 178.441 . 1 #___________________________________________________ 83 22 VAL H H 8.245 . 1 84 22 VAL HA H 3.499 . 1 85 22 VAL HB H 2.055 . 1 86 22 VAL HG1 H 1.195 . 2 87 22 VAL HG2 H 0.126 . 2 88 22 VAL CA C 66.994 . 1 89 22 VAL CB C 31.34 . 1 90 22 VAL CG1 C 23.98 . 2 91 22 VAL CG2 C 20.885 . 2 92 22 VAL N N 121.128 . 1 9022 22 VAL C C 176.627 . 1 #___________________________________________________ 93 23 ARG H H 8.357 . 1 94 23 ARG HA H 3.453 . 1 95 23 ARG HB2 H 1.938 . 2 96 23 ARG HB3 H 1.621 . 2 7795 23 ARG HG2 H 1.479 . 2 7796 23 ARG HG3 H 1.334 . 2 7794 23 ARG HD2 H 3.267 . 2 7793 23 ARG HD3 H 3.267 . 2 97 23 ARG CA C 61.016 . 1 98 23 ARG CB C 29.460 . 1 99 23 ARG CG C 28.45 . 1 100 23 ARG CD C 43.404 . 1 101 23 ARG N N 120.207 . 1 9023 23 ARG C C 177.705 . 1 #___________________________________________________ 102 24 ASN H H 8.084 . 1 103 24 ASN HA H 4.322 . 1 104 24 ASN HB2 H 2.790 . 2 105 24 ASN HB3 H 2.687 . 2 106 24 ASN CA C 55.773 . 1 107 24 ASN CB C 37.474 . 1 108 24 ASN N N 116.048 . 1 5203 24 ASN HD21 H 6.913 . 2 5204 24 ASN HD22 H 7.578 . 2 5208 24 ASN ND2 N 112.3 . 1 9024 24 ASN C C 177.832 . 1 #___________________________________________________ 109 25 ALA H H 7.842 . 1 110 25 ALA HA H 4.242 . 1 111 25 ALA HB H 1.416 . 1 112 25 ALA CA C 55.312 . 1 113 25 ALA CB C 18.500 . 1 114 25 ALA N N 123.506 . 1 9025 25 ALA C C 178.995 . 1 #___________________________________________________ 115 26 LEU H H 8.691 . 1 116 26 LEU HA H 4.044 . 1 117 26 LEU HB2 H 1.059 . 2 1118 26 LEU HB3 H 1.926 . 2 118 26 LEU HG H 1.336 . 1 119 26 LEU HD1 H 0.791 . 2 1119 26 LEU HD2 H 0.551 . 2 120 26 LEU CA C 58.307 . 1 121 26 LEU CB C 42.28 . 1 122 26 LEU CG C 27.13 . 1 123 26 LEU CD1 C 24.667 . 2 124 26 LEU CD2 C 26.93 . 2 125 26 LEU N N 117.957 . 1 9026 26 LEU C C 178.488 . 1 #___________________________________________________ 126 27 LYS H H 8.164 . 1 127 27 LYS HA H 3.869 . 1 128 27 LYS HB2 H 1.861 . 2 129 27 LYS HB3 H 1.861 . 2 2128 27 LYS HG2 H 1.436 . 2 2129 27 LYS HG3 H 1.718 . 2 2127 27 LYS HD2 H 1.677 . 2 2126 27 LYS HD3 H 1.677 . 2 130 27 LYS CA C 60.275 . 1 131 27 LYS CB C 31.716 . 1 132 27 LYS CG C 25.76 . 1 133 27 LYS CD C 29.398 . 1 134 27 LYS CE C 41.848 . 1 135 27 LYS N N 116.679 . 1 9027 27 LYS C C 179.177 . 1 #___________________________________________________ 136 28 ASP H H 7.421 . 1 137 28 ASP HA H 4.483 . 1 138 28 ASP HB2 H 2.895 . 2 139 28 ASP HB3 H 2.954 . 2 140 28 ASP CA C 57.708 . 1 141 28 ASP CB C 41.33 . 1 142 28 ASP N N 118.199 . 1 9028 28 ASP C C 179.194 . 1 #___________________________________________________ 143 29 LEU H H 8.542 . 1 144 29 LEU HA H 4.285 . 1 145 29 LEU HB2 H 1.657 . 2 146 29 LEU HB3 H 2.178 . 2 1147 29 LEU HG H 2.317 . 1 147 29 LEU HD2 H 1.171 . 2 7147 29 LEU HD1 H 1.171 . 2 148 29 LEU CA C 58.11 . 1 149 29 LEU CB C 43.179 . 1 150 29 LEU CG C 27.33 . 1 151 29 LEU CD2 C 24.065 . 2 7151 29 LEU CD1 C 24.065 . 2 152 29 LEU N N 121.732 . 1 9029 29 LEU C C 179.716 . 1 #___________________________________________________ 153 30 LEU H H 8.375 . 1 154 30 LEU HA H 4.751 . 1 155 30 LEU HB2 H 1.797 . 2 156 30 LEU HB3 H 1.658 . 2 157 30 LEU HG H 1.799 . 1 158 30 LEU HD2 H 0.774 . 2 7158 30 LEU HD1 H 0.812 . 2 159 30 LEU CA C 56.132 . 1 160 30 LEU CB C 41.053 . 1 161 30 LEU CG C 27.24 . 1 162 30 LEU CD2 C 26.18 . 2 7162 30 LEU CD1 C 23.113 . 2 163 30 LEU N N 116.988 . 1 9030 30 LEU C C 177.905 . 1 #___________________________________________________ 165 31 LYS H H 7.356 . 1 166 31 LYS HA H 4.160 . 1 167 31 LYS HB2 H 1.887 . 2 168 31 LYS HB3 H 1.887 . 2 169 31 LYS HG2 H 1.497 . 2 170 31 LYS HG3 H 1.745 . 2 171 31 LYS HD2 H 1.758 . 2 172 31 LYS HD3 H 1.758 . 2 173 31 LYS HE2 H 3.025 . 2 174 31 LYS HE3 H 3.025 . 2 175 31 LYS CA C 58.914 . 1 176 31 LYS CB C 32.407 . 1 177 31 LYS CG C 24.89 . 1 178 31 LYS CD C 29.28 . 1 180 31 LYS CE C 42.211 . 1 181 31 LYS N N 118.384 . 1 9031 31 LYS C C 177.685 . 1 #___________________________________________________ 182 32 ASP H H 7.531 . 1 183 32 ASP HA H 4.898 . 1 184 32 ASP HB2 H 2.823 . 2 185 32 ASP HB3 H 2.673 . 2 186 32 ASP CA C 54.685 . 1 187 32 ASP CB C 43.536 . 1 188 32 ASP N N 115.412 . 1 9032 32 ASP C C 175.336 . 1 #___________________________________________________ 189 33 MET H H 7.912 . 1 190 33 MET HA H 4.668 . 1 191 33 MET HB2 H 1.961 . 2 192 33 MET HB3 H 2.108 . 2 193 33 MET HG2 H 2.511 . 2 194 33 MET HG3 H 2.609 . 2 195 33 MET CA C 54.747 . 1 196 33 MET CB C 36.099 . 1 197 33 MET CG C 30.747 . 1 8197 33 MET CE C 16.71 . 1 8198 33 MET HE H 2.116 . 1 198 33 MET N N 118.971 . 1 9033 33 MET C C 173.380 . 1 #___________________________________________________ 199 34 ASN H H 8.208 . 1 200 34 ASN HA H 4.837 . 1 201 34 ASN HB2 H 3.132 . 2 202 34 ASN HB3 H 2.862 . 2 203 34 ASN HD21 H 7.681 . 2 204 34 ASN HD22 H 6.977 . 2 205 34 ASN CA C 52.054 . 1 206 34 ASN CB C 39.349 . 1 207 34 ASN N N 116.256 . 1 208 34 ASN ND2 N 113.60 . 1 9034 34 ASN C C 176.268 . 1 #___________________________________________________ 209 35 GLN H H 8.858 . 1 210 35 GLN HA H 3.796 . 1 211 35 GLN HB2 H 2.054 . 2 212 35 GLN HB3 H 2.054 . 2 213 35 GLN HG2 H 2.409 . 2 214 35 GLN HG3 H 2.409 . 2 215 35 GLN HE21 H 6.74 . 2 216 35 GLN HE22 H 7.228 . 2 217 35 GLN CA C 60.248 . 1 218 35 GLN CB C 28.854 . 1 219 35 GLN CG C 34.589 . 1 220 35 GLN N N 119.983 . 1 221 35 GLN NE2 N 109.70 . 1 9035 35 GLN C C 177.669 . 1 #___________________________________________________ 222 36 SER H H 8.413 . 1 223 36 SER HA H 4.060 . 1 224 36 SER HB2 H 3.858 . 2 225 36 SER HB3 H 3.858 . 2 226 36 SER CA C 61.114 . 1 227 36 SER CB C 62.462 . 1 228 36 SER N N 114.335 . 1 9036 36 SER C C 177.339 . 1 #___________________________________________________ 229 37 SER H H 8.133 . 1 230 37 SER HA H 4.248 . 1 231 37 SER HB2 H 3.955 . 2 232 37 SER HB3 H 3.955 . 2 233 37 SER CA C 61.538 . 1 234 37 SER CB C 62.971 . 1 235 37 SER N N 118.759 . 1 9037 37 SER C C 176.490 . 1 #___________________________________________________ 236 38 LEU H H 8.106 . 1 237 38 LEU HA H 4.074 . 1 238 38 LEU HB2 H 1.685 . 2 239 38 LEU HB3 H 1.508 . 2 4236 38 LEU HG H 1.60 . 1 4237 38 LEU HD1 H 0.899 . 2 4238 38 LEU HD2 H 0.961 . 2 4239 38 LEU CG C 27.76 . 1 4240 38 LEU CD1 C 26.63 . 2 4241 38 LEU CD2 C 24.77 . 2 240 38 LEU CA C 57.41 . 1 241 38 LEU CB C 41.756 . 1 242 38 LEU N N 122.957 . 1 9038 38 LEU C C 178.439 . 1 #___________________________________________________ 243 39 ALA H H 8.088 . 1 244 39 ALA HA H 4.012 . 1 245 39 ALA HB H 1.388 . 1 246 39 ALA CA C 54.431 . 1 247 39 ALA CB C 18.467 . 1 248 39 ALA N N 121.176 . 1 9039 39 ALA C C 177.912 . 1 #___________________________________________________ 251 40 LYS H H 7.317 . 1 252 40 LYS HA H 4.068 . 1 253 40 LYS HB2 H 1.915 . 2 254 40 LYS HB3 H 1.915 . 2 255 40 LYS HG2 H 1.556 . 2 6255 40 LYS HG3 H 1.556 . 2 256 40 LYS HE2 H 2.961 . 2 257 40 LYS HE3 H 2.961 . 1 258 40 LYS CA C 58.293 . 1 259 40 LYS CB C 32.600 . 1 260 40 LYS CG C 25.049 . 1 261 40 LYS CD C 29.275 . 1 263 40 LYS CE C 42.117 . 1 264 40 LYS N N 115.241 . 1 9040 40 LYS C C 177.801 . 1 #___________________________________________________ 265 41 GLU H H 7.385 . 1 266 41 GLU HA H 4.295 . 1 267 41 GLU HB2 H 1.819 . 2 268 41 GLU HB3 H 2.205 . 2 269 41 GLU HG2 H 2.385 . 2 270 41 GLU HG3 H 2.312 . 2 271 41 GLU CA C 56.856 . 1 272 41 GLU CB C 31.868 . 1 273 41 GLU CG C 35.748 . 1 274 41 GLU N N 115.291 . 1 9041 41 GLN C C 175.473 . 1 #_________________________________________________ 275 42 CYS H H 7.629 . 1 1270 42 CYS HA H 2.919 . 1 1271 42 CYS HB3 H 1.563 . 2 1272 42 CYS HB2 H 1.563 . 2 276 42 CYS CA C 55.861 . 1 277 42 CYS CB C 27.562 . 1 278 42 CYS N N 117.545 . 1 #9021 16 GLN C C 175.473 . 1 #_________________________________________________ 279 43 PRO HA H 4.382 . 1 280 43 PRO HB2 H 1.733 . 2 281 43 PRO HB3 H 2.227 . 2 282 43 PRO HG2 H 1.824 . 2 283 43 PRO HG3 H 1.548 . 2 284 43 PRO HD2 H 2.958 . 2 285 43 PRO HD3 H 2.714 . 2 286 43 PRO CA C 64.024 . 1 287 43 PRO CB C 31.697 . 1 288 43 PRO CG C 27.434 . 1 289 43 PRO CD C 50.254 . 1 9043 43 PRO C C 175.654 . 1 #___________________________________________________ 290 44 LEU H H 7.438 . 1 291 44 LEU HA H 4.65 . 1 292 44 LEU HB2 H 1.249 . 2 293 44 LEU HB3 H 1.449 . 2 294 44 LEU HG H 1.536 . 1 295 44 LEU HD2 H 0.725 . 2 7295 44 LEU HD1 H 0.414 . 2 296 44 LEU CA C 53.055 . 1 297 44 LEU CB C 43.638 . 1 298 44 LEU CG C 27.05 . 1 7299 44 LEU CD1 C 26.90 . 2 299 44 LEU CD2 C 23.33 . 2 300 44 LEU N N 118.932 . 1 9044 44 LEU C C 175.153 . 1 #___________________________________________________ 301 45 SER H H 7.842 . 1 302 45 SER HA H 4.437 . 1 303 45 SER HB2 H 4.305 . 2 304 45 SER HB3 H 3.974 . 2 305 45 SER CA C 56.716 . 1 306 45 SER CB C 65.460 . 1 307 45 SER N N 116.305 . 1 9045 45 SER C C 174.798 . 1 #___________________________________________________ 308 46 GLN H H 9.116 . 1 309 46 GLN HA H 3.681 . 1 310 46 GLN HB2 H 1.995 . 2 311 46 GLN HB3 H 1.995 . 2 312 46 GLN HG2 H 2.272 . 2 313 46 GLN HG3 H 2.272 . 2 314 46 GLN HE21 H 6.795 . 2 315 46 GLN HE22 H 7.559 . 2 316 46 GLN CA C 60.583 . 1 317 46 GLN CB C 28.134 . 1 318 46 GLN CG C 34.395 . 1 319 46 GLN N N 120.751 . 1 320 46 GLN NE2 N 111.90 . 1 9046 46 GLN C C 177.986 . 1 #___________________________________________________ 321 47 SER H H 8.397 . 1 322 47 SER HA H 4.091 . 1 323 47 SER HB2 H 3.783 . 2 324 47 SER HB3 H 3.783 . 2 325 47 SER CA C 61.097 . 1 326 47 SER CB C 62.426 . 1 327 47 SER N N 112.912 . 1 9047 47 SER C C 177.293 . 1 #_________________________________________________ 328 48 MET H H 7.622 . 1 329 48 MET HA H 4.024 . 1 330 48 MET HB2 H 2.494 . 2 331 48 MET HB3 H 2.553 . 2 7332 48 MET HG3 H 2.174 . 2 6332 48 MET HG2 H 2.174 . 2 332 48 MET HE H 2.175 . 2 333 48 MET CA C 59.074 . 1 334 48 MET CB C 33.177 . 1 335 48 MET CG C 33.133 . 1 6335 48 MET CE C 17.75 . 1 336 48 MET N N 123.332 . 1 9048 48 MET C C 177.796 . 1 #___________________________________________________ 340 49 ILE H H 8.305 . 1 341 49 ILE HA H 3.194 . 1 342 49 ILE HB H 1.779 . 1 343 49 ILE HG12 H 0.586 . 2 344 49 ILE HG13 H 1.629 . 2 345 49 ILE HG2 H 0.767 . 2 346 49 ILE HD1 H 0.537 . 2 347 49 ILE CA C 66.429 . 1 348 49 ILE CB C 38.457 . 1 349 49 ILE CG1 C 29.577 . 2 350 49 ILE CG2 C 17.056 . 2 351 49 ILE CD1 C 13.600 . 2 352 49 ILE N N 119.136 . 1 9049 49 ILE C C 177.177 . 1 #___________________________________________________ 353 50 SER H H 8.097 . 1 354 50 SER HA H 3.979 . 1 355 50 SER HB3 H 3.875 . 2 7355 50 SER HB2 H 3.875 . 2 356 50 SER CA C 61.749 . 1 357 50 SER CB C 63.060 . 1 358 50 SER N N 112.353 . 1 9050 50 SER C C 176.776 . 1 #___________________________________________________ 359 51 SER H H 7.901 . 1 360 51 SER HA H 4.114 . 1 361 51 SER HB2 H 3.595 . 2 362 51 SER HB3 H 3.804 . 2 363 51 SER CA C 62.475 . 1 364 51 SER CB C 63.012 . 1 365 51 SER N N 115.934 . 1 9051 51 SER C C 176.255 . 1 #___________________________________________________ 366 52 ILE H H 7.987 . 1 367 52 ILE HA H 3.652 . 1 368 52 ILE HB H 1.606 . 1 369 52 ILE HG12 H 0.737 . 2 370 52 ILE HG13 H 1.685 . 2 371 52 ILE HG2 H 0.647 . 2 372 52 ILE HD1 H 0.513 . 2 373 52 ILE CA C 64.840 . 1 374 52 ILE CB C 37.902 . 1 375 52 ILE CG1 C 29.069 . 2 376 52 ILE CG2 C 17.717 . 2 377 52 ILE CD1 C 14.061 . 2 378 52 ILE N N 120.449 . 1 9052 52 ILE C C 178.410 . 1 #___________________________________________________ 379 53 VAL H H 8.303 . 1 380 53 VAL HA H 3.654 . 1 381 53 VAL HB H 2.054 . 1 1381 53 VAL HG1 H 0.902 . 2 1382 53 VAL HG2 H 0.8375 . 2 382 53 VAL CA C 66.061 . 1 383 53 VAL CB C 31.767 . 1 384 53 VAL CG1 C 21.96 . 2 1384 53 VAL CG2 C 21.73 . 2 385 53 VAL N N 115.656 . 1 9053 53 VAL C C 177.313 . 1 #_________________________________________________ 386 54 ASN H H 7.984 . 1 387 54 ASN HA H 4.760 . 1 388 54 ASN HB2 H 2.824 . 2 389 54 ASN HB3 H 2.824 . 2 390 54 ASN CA C 54.273 . 1 391 54 ASN CB C 39.212 . 1 392 54 ASN N N 116.134 . 1 6203 54 ASN HD21 H 7.487 . 2 6204 54 ASN HD22 H 6.961 . 2 6208 54 ASN ND2 N 113.8 . 1 9054 54 ASN C C 175.078 . 1 #___________________________________________________ 393 55 SER H H 7.520 . 1 394 55 SER HA H 4.507 . 1 395 55 SER HB2 H 3.919 . 2 396 55 SER HB3 H 3.919 . 2 397 55 SER CA C 58.103 . 1 398 55 SER CB C 63.90 . 1 399 55 SER N N 114.00 . 1 9055 55 SER C C 174.080 . 1 #___________________________________________________ 400 56 THR H H 8.246 . 1 401 56 THR HA H 4.091 . 1 402 56 THR HB H 4.076 . 1 6402 56 THR HG2 H 1.018 . 1 403 56 THR CA C 62.240 . 1 404 56 THR CB C 68.925 . 1 405 56 THR CG2 C 21.633 . 2 406 56 THR N N 113.388 . 1 9056 56 THR C C 174.230 . 1 #___________________________________________________ 407 57 TYR H H 7.847 . 1 408 57 TYR HA H 4.385 . 1 409 57 TYR HB2 H 2.769 . 2 410 57 TYR HB3 H 2.889 . 2 411 57 TYR CA C 57.924 . 1 412 57 TYR CB C 38.781 . 1 413 57 TYR N N 120.408 . 1 7608 57 TYR HD1 H 6.963 . 3 7609 57 TYR HD2 H 6.963 . 3 7610 57 TYR HE1 H 6.677 . 3 7611 57 TYR HE2 H 6.677 . 3 7612 57 TYR CD1 C 133.0 . 3 7613 57 TYR CD2 C 133.0 . 3 7614 57 TYR CE1 C 118.1 . 3 7615 57 TYR CE2 C 118.1 . 3 9057 57 TYR C C 175.132 . 1 #___________________________________________________ 414 58 TYR H H 7.667 . 1 415 58 TYR HA H 4.288 . 1 416 58 TYR HB2 H 2.672 . 2 417 58 TYR HB3 H 2.669 . 2 418 58 TYR CA C 57.726 . 1 419 58 TYR CB C 38.321 . 1 420 58 TYR N N 122.335 . 1 7604 58 TYR HD1 H 6.805 . 3 7605 58 TYR HD2 H 6.805 . 3 7606 58 TYR HE1 H 6.694 . 3 7607 58 TYR HE2 H 6.694 . 3 7616 58 TYR CD1 C 132.7 . 3 7617 58 TYR CD2 C 132.7 . 3 7618 58 TYR CE1 C 118.2 . 3 7619 58 TYR CE2 C 118.2 . 3 9058 58 TYR C C 175.093 . 1 #___________________________________________________ 421 59 ALA H H 7.258 . 1 422 59 ALA HA H 3.929 . 1 423 59 ALA HB H 1.016 . 1 424 59 ALA CA C 52.466 . 1 425 59 ALA CB C 19.158 . 1 426 59 ALA N N 124.239 . 1 9059 59 ALA C C 176.797 . 1 #___________________________________________________ 427 60 ASN H H 7.622 . 1 428 60 ASN HA H 4.542 . 1 429 60 ASN HB2 H 2.555 . 2 430 60 ASN HB3 H 2.732 . 2 431 60 ASN HD21 H 7.423 . 2 432 60 ASN HD22 H 6.811 . 2 433 60 ASN CA C 52.958 . 1 434 60 ASN CB C 37.837 . 1 435 60 ASN N N 116.033 . 1 436 60 ASN ND2 N 111.8 . 1 9060 60 ASN C C 174.486 . 1 #__________________________________________________ 437 61 VAL H H 7.900 . 1 438 61 VAL HA H 4.135 . 1 439 61 VAL HB H 1.936 . 1 440 61 VAL HG1 H 0.885 . 2 441 61 VAL HG2 H 0.885 . 2 442 61 VAL CA C 61.668 . 1 443 61 VAL CB C 32.702 . 1 444 61 VAL CG1 C 21.43 . 2 445 61 VAL CG2 C 21.43 . 2 446 61 VAL N N 122.088 . 1 9061 61 VAL C C 175.085 . 1 #___________________________________________________ 447 62 SER H H 8.640 . 1 448 62 SER HA H 4.388 . 1 449 62 SER HB2 H 4.057 . 2 450 62 SER HB3 H 4.377 . 2 451 62 SER CA C 58.187 . 1 452 62 SER CB C 64.87 . 1 453 62 SER N N 124.689 . 1 9062 62 SER C C 175.137 . 1 #___________________________________________________ 454 63 ALA H H 9.045 . 1 455 63 ALA HA H 4.167 . 1 456 63 ALA HB H 1.513 . 1 457 63 ALA CA C 55.96 . 1 458 63 ALA CB C 17.695 . 1 459 63 ALA N N 125.907 . 1 9063 63 ALA C C 180.595 . 1 #___________________________________________________ 460 64 ALA H H 8.447 . 1 461 64 ALA HA H 4.074 . 1 462 64 ALA HB H 1.404 . 1 463 64 ALA CA C 55.466 . 1 464 64 ALA CB C 17.949 . 1 465 64 ALA N N 119.531 . 1 9064 64 ALA C C 181.159 . 1 #___________________________________________________ 466 65 LYS H H 7.920 . 1 467 65 LYS HA H 4.151 . 1 468 65 LYS HB2 H 1.677 . 2 469 65 LYS HB3 H 2.081 . 2 1464 65 LYS HG2 H 1.500 . 2 1465 65 LYS HG3 H 1.445 . 2 1466 65 LYS HD2 H 1.12 . 2 1467 65 LYS HD3 H 1.425 . 2 1468 65 LYS HE2 H 2.935 . 2 1469 65 LYS HE3 H 2.935 . 2 470 65 LYS CA C 57.729 . 1 471 65 LYS CB C 30.726 . 1 472 65 LYS CG C 24.655 . 1 473 65 LYS CD C 27.38 . 1 474 65 LYS CE C 42.119 . 1 475 65 LYS N N 120.121 . 1 9065 65 LYS C C 179.485 . 1 #___________________________________________________ 476 66 CYS H H 8.177 . 1 477 66 CYS HA H 3.901 . 1 478 66 CYS HB2 H 2.358 . 2 479 66 CYS HB3 H 3.377 . 2 480 66 CYS CA C 64.775 . 1 481 66 CYS CB C 26.493 . 1 482 66 CYS N N 118.973 . 1 9066 66 CYS C C 176.764 . 1 #_________________________________________________ 483 67 GLN H H 8.062 . 1 484 67 GLN HA H 4.034 . 1 485 67 GLN HB2 H 2.046 . 2 486 67 GLN HB3 H 2.181 . 2 487 67 GLN HG2 H 2.595 . 2 488 67 GLN HG3 H 2.595 . 2 489 67 GLN HE21 H 7.053 . 2 490 67 GLN HE22 H 7.486 . 2 491 67 GLN CA C 58.643 . 1 492 67 GLN CB C 27.602 . 1 493 67 GLN CG C 33.601 . 1 494 67 GLN N N 118.729 . 1 495 67 GLN NE2 N 111.6 . 1 9067 67 GLN C C 178.688 . 1 #___________________________________________________ 496 68 GLU H H 8.234 . 1 497 68 GLU HA H 3.864 . 1 498 68 GLU HB2 H 2.118 . 2 499 68 GLU HB3 H 2.118 . 2 500 68 GLU HG3 H 2.112 . 1 501 68 GLU HG2 H 2.112 . 2 502 68 GLU CA C 59.624 . 1 503 68 GLU CB C 29.994 . 1 504 68 GLU CG C 36.033 . 1 505 68 GLU N N 121.128 . 1 9068 68 GLN C C 180.069 . 1 #___________________________________________________ 506 69 PHE H H 8.636 . 1 507 69 PHE HA H 3.803 . 1 508 69 PHE HB2 H 2.785 . 2 7509 69 PHE HB3 H 3.284 . 2 7508 69 PHE HD1 H 6.795 . 3 509 69 PHE HD2 H 6.795 . 3 7507 69 PHE HE1 H 7.088 . 3 7506 69 PHE HE2 H 7.088 . 3 7500 69 PHE HZ H 7.072 . 2 510 69 PHE CA C 62.859 . 1 511 69 PHE CB C 38.44 . 1 2510 69 PHE CD1 C 131.2 . 3 2511 69 PHE CD2 C 131.2 . 3 2512 69 PHE CE1 C 131.4 . 3 2513 69 PHE CE2 C 131.4 . 3 2514 69 PHE CZ C 129.00 . 1 512 69 PHE N N 120.807 . 1 9069 69 PHE C C 176.169 . 1 #___________________________________________________ 513 70 GLY H H 8.181 . 1 514 70 GLY HA2 H 1.798 . 2 515 70 GLY HA3 H 1.798 . 2 516 70 GLY CA C 45.189 . 1 517 70 GLY N N 108.539 . 1 9070 70 GLY C C 175.436 . 1 #_________________________________________________ 518 71 ARG H H 7.804 . 1 519 71 ARG HA H 3.84 . 1 520 71 ARG HB2 H 1.807 . 2 521 71 ARG HB3 H 1.842 . 2 2520 71 ARG HG2 H 1.783 . 2 2521 71 ARG HG3 H 1.525 . 2 522 71 ARG HD2 H 3.267 . 2 523 71 ARG HD3 H 3.154 . 2 524 71 ARG CA C 60.134 . 1 525 71 ARG CB C 30.301 . 1 526 71 ARG CG C 28.14 . 1 527 71 ARG CD C 43.534 . 1 528 71 ARG N N 120.908 . 1 9071 71 ARG C C 178.768 . 1 #___________________________________________________ 529 72 TRP H H 7.731 . 1 530 72 TRP HA H 4.047 . 1 531 72 TRP HB2 H 3.193 . 2 532 72 TRP HB3 H 3.193 . 2 533 72 TRP CA C 61.51 . 1 534 72 TRP CB C 27.716 . 1 535 72 TRP N N 121.281 . 1 9929 72 TRP NE1 N 132.19 . 1 9930 72 TRP HE1 H 10.26 . 1 9931 72 TRP CD1 C 127.48 . 1 9932 72 TRP HD1 H 7.281 . 1 9933 72 TRP CZ2 C 114.3 . 1 9934 72 TRP HZ2 H 6.345 . 1 9935 72 TRP CH2 C 123.1 . 1 9937 72 TRP HH2 H 6.247 . 1 9938 72 TRP CZ3 C 120.9 . 1 9939 72 TRP HZ3 H 6.551 . 1 9940 72 TRP CE3 C 119.5 . 1 9941 72 TRP HE3 H 6.56 . 1 9072 72 TRP C C 177.263 . 1 #___________________________________________________ 536 73 TYR H H 9.004 . 1 537 73 TYR HA H 2.840 . 1 538 73 TYR HB2 H 2.524 . 2 539 73 TYR HB3 H 2.347 . 2 540 73 TYR CA C 61.352 . 1 541 73 TYR CB C 38.782 . 1 542 73 TYR N N 121.394 . 1 7600 73 TYR HD1 H 7.045 . 3 7601 73 TYR HD2 H 7.045 . 3 7602 73 TYR HE1 H 6.970 . 3 7603 73 TYR HE2 H 6.970 . 3 7620 73 TYR CD1 C 132.8 . 3 7621 73 TYR CD2 C 132.8 . 3 7622 73 TYR CE1 C 119.4 . 3 7623 73 TYR CE2 C 119.4 . 3 9073 73 TYR C C 176.632 . 1 #_________________________________________________ 543 74 LYS H H 7.718 . 1 544 74 LYS HA H 3.733 . 1 545 74 LYS HB2 H 1.739 . 2 546 74 LYS HB3 H 1.849 . 2 1544 74 LYS HG2 H 1.33 . 2 1543 74 LYS HG3 H 1.487 . 2 1545 74 LYS HD2 H 1.672 . 2 1546 74 LYS HD3 H 1.672 . 2 1542 74 LYS HE2 H 2.973 . 2 1541 74 LYS HE3 H 2.973 . 2 547 74 LYS CA C 59.12 . 1 548 74 LYS CB C 32.132 . 1 1546 74 LYS CG C 24.98 . 1 1548 74 LYS CD C 29.87 . 1 1547 74 LYS CE C 42.39 . 1 549 74 LYS N N 116.614 . 1 9074 74 LYS C C 178.250 . 1 #___________________________________________________ 550 75 HIS H H 6.996 . 1 551 75 HIS HA H 4.226 . 1 552 75 HIS HB2 H 3.003 . 2 553 75 HIS HB3 H 3.082 . 2 554 75 HIS CA C 58.420 . 1 555 75 HIS CB C 29.731 . 1 556 75 HIS N N 116.154 . 1 9075 75 HIS C C 176.316 . 1 #_________________________________________________ 557 76 PHE H H 8.145 . 1 558 76 PHE HA H 3.735 . 1 559 76 PHE HB2 H 1.812 . 2 560 76 PHE HB3 H 1.673 . 2 561 76 PHE CA C 60.07 . 1 562 76 PHE CB C 38.97 . 1 563 76 PHE N N 123.096 . 1 7503 76 PHE HD1 H 6.75 . 3 7500 76 PHE HD2 H 6.75 . 3 7502 76 PHE HE1 H 7.25 . 3 7501 76 PHE HE2 H 7.25 . 3 2515 76 PHE CD1 C 131.8 . 3 2516 76 PHE CD2 C 131.8 . 3 2517 76 PHE CE1 C 131.3 . 3 2518 76 PHE CE2 C 131.3 . 3 9076 76 PHE C C 177.011 . 1 #___________________________________________________ 564 77 LYS H H 7.894 . 1 565 77 LYS HA H 3.609 . 1 566 77 LYS HB2 H 1.276 . 2 567 77 LYS HB3 H 1.423 . 2 3562 77 LYS HG2 H 0.91 . 2 3563 77 LYS HG3 H 0.91 . 2 3564 77 LYS HE2 H 2.76 . 2 3565 77 LYS HE3 H 2.874 . 2 3566 77 LYS HD2 H 1.396 . 2 3567 77 LYS HD3 H 1.396 . 2 568 77 LYS CA C 56.14 . 1 569 77 LYS CB C 31.323 . 1 570 77 LYS CG C 23.83 . 1 571 77 LYS CD C 28.08 . 1 572 77 LYS CE C 41.73 . 1 573 77 LYS N N 118.8 . 1 9077 77 LYS C C 176.883 . 1 #___________________________________________________ 574 78 LYS H H 7.362 . 1 575 78 LYS HA H 3.991 . 1 576 78 LYS HB2 H 1.699 . 2 577 78 LYS HB3 H 1.699 . 2 578 78 LYS HG2 H 1.320 . 2 579 78 LYS HG3 H 1.267 . 2 580 78 LYS HD2 H 1.558 . 2 581 78 LYS HD3 H 1.559 . 2 2580 78 LYS HE2 H 2.872 . 2 2581 78 LYS HE3 H 2.872 . 2 582 78 LYS CA C 57.769 . 1 583 78 LYS CB C 32.172 . 1 584 78 LYS CG C 24.705 . 1 585 78 LYS CD C 29.108 . 1 586 78 LYS CE C 42.045 . 1 587 78 LYS N N 119.919 . 1 9078 78 LYS C C 177.630 . 1 #___________________________________________________ 588 79 THR H H 7.678 . 1 589 79 THR HA H 4.049 . 1 590 79 THR HB H 4.049 . 1 591 79 THR HG2 H 1.014 . 2 592 79 THR CA C 63.019 . 1 593 79 THR CB C 69.576 . 1 594 79 THR CG2 C 21.581 . 2 595 79 THR N N 113.086 . 1 9079 79 THR C C 175.375 . 1 #___________________________________________________ 596 80 LYS H H 7.880 . 1 597 80 LYS HA H 4.062 . 1 598 80 LYS HB2 H 1.618 . 2 599 80 LYS HB3 H 1.501 . 2 600 80 LYS HG2 H 1.175 . 2 601 80 LYS HG3 H 1.175 . 2 602 80 LYS HD2 H 1.459 . 2 7602 80 LYS HD3 H 1.459 . 2 603 80 LYS HE2 H 2.810 . 2 604 80 LYS HE3 H 2.805 . 2 605 80 LYS CA C 56.885 . 1 606 80 LYS CB C 32.419 . 1 607 80 LYS CG C 24.137 . 1 608 80 LYS CD C 28.722 . 1 609 80 LYS CE C 42.023 . 1 610 80 LYS N N 122.246 . 1 9080 80 LYS C C 176.698 . 1 #___________________________________________________ 611 81 ASP H H 8.019 . 1 612 81 ASP HA H 4.483 . 1 613 81 ASP HB2 H 2.535 . 2 614 81 ASP HB3 H 2.645 . 2 615 81 ASP CA C 54.916 . 1 616 81 ASP CB C 40.860 . 1 617 81 ASP N N 119.761 . 1 9081 81 ASP C C 176.049 . 1 #___________________________________________________ 618 82 MET H H 7.893 . 1 619 82 MET CA C 55.750 . 1 620 82 MET CB C 32.865 . 1 8620 82 MET CG C 31.98 . 1 5620 82 MET CE C 16.69 . 1 5621 82 MET HE H 2.015 . 1 5619 82 MET HA H 4.380 . 1 5618 82 MET HB2 H 2.075 . 2 5617 82 MET HB3 H 1.919 . 2 5616 82 MET HG2 H 2.53 . 2 5615 82 MET HG3 H 2.456 . 2 6216 82 MET N N 119.386 . 1 #___________________________________________________ 4618 83 MET H H 7.788 . 1 4619 83 MET CA C 57.46 . 1 4620 83 MET CB C 33.5 . 1 4626 83 MET CG C 32.24 . 1 4621 83 MET CE C 16.8 . 1 4622 83 MET HE H 2.01 . 1 4623 83 MET HA H 4.19 . 1 4624 83 MET HB2 H 2.028 . 2 4625 83 MET HB3 H 1.892 . 2 5614 83 MET HG2 H 2.501 . 2 5613 83 MET HG3 H 2.432 . 2 4626 83 MET N N 126.00 . 1 stop_ save_