save_polymer _Saveframe_category monomeric_polymer ############################## # Polymer residue sequence # ############################## _Residue_count 110 _Mol_residue_sequence ; MLLYVLIISNDKKLIEEARK MAEKANLELRTVKTEDELKK YLEEFRKESQNIKVLILVSN DEELDKAKELAQKMEIDVRT RKVTSPDEAKRWIKEFSEEG GSLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 LEU 3 3 LEU 4 4 TYR 5 5 VAL 6 6 LEU 7 7 ILE 8 8 ILE 9 9 SER 10 10 ASN 11 11 ASP 12 12 LYS 13 13 LYS 14 14 LEU 15 15 ILE 16 16 GLU 17 17 GLU 18 18 ALA 19 19 ARG 20 20 LYS 21 21 MET 22 22 ALA 23 23 GLU 24 24 LYS 25 25 ALA 26 26 ASN 27 27 LEU 28 28 GLU 29 29 LEU 30 30 ARG 31 31 THR 32 32 VAL 33 33 LYS 34 34 THR 35 35 GLU 36 36 ASP 37 37 GLU 38 38 LEU 39 39 LYS 40 40 LYS 41 41 TYR 42 42 LEU 43 43 GLU 44 44 GLU 45 45 PHE 46 46 ARG 47 47 LYS 48 48 GLU 49 49 SER 50 50 GLN 51 51 ASN 52 52 ILE 53 53 LYS 54 54 VAL 55 55 LEU 56 56 ILE 57 57 LEU 58 58 VAL 59 59 SER 60 60 ASN 61 61 ASP 62 62 GLU 63 63 GLU 64 64 LEU 65 65 ASP 66 66 LYS 67 67 ALA 68 68 LYS 69 69 GLU 70 70 LEU 71 71 ALA 72 72 GLN 73 73 LYS 74 74 MET 75 75 GLU 76 76 ILE 77 77 ASP 78 78 VAL 79 79 ARG 80 80 THR 81 81 ARG 82 82 LYS 83 83 VAL 84 84 THR 85 85 SER 86 86 PRO 87 87 ASP 88 88 GLU 89 89 ALA 90 90 LYS 91 91 ARG 92 92 TRP 93 93 ILE 94 94 LYS 95 95 GLU 96 96 PHE 97 97 SER 98 98 GLU 99 99 GLU 100 100 GLY 101 101 GLY 102 102 SER 103 103 LEU 104 104 GLU 105 105 HIS 106 106 HIS 107 107 HIS 108 108 HIS 109 109 HIS 110 110 HIS stop_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. Tyr HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons or Trp HZ2 and HZ3 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 CA C 54.505 0.400 1 2 1 1 MET HA H 4.157 0.020 1 3 1 1 MET CB C 32.613 0.400 1 4 1 1 MET HB2 H 1.941 0.020 2 5 1 1 MET HB3 H 2.002 0.020 2 6 1 1 MET CG C 30.512 0.400 1 7 1 1 MET HG2 H 2.198 0.020 2 8 1 1 MET HG3 H 2.418 0.020 2 9 1 1 MET CE C 16.186 0.400 1 10 1 1 MET HE1 H 1.976 0.020 1 11 1 1 MET HE2 H 1.976 0.020 1 12 1 1 MET HE3 H 1.976 0.020 1 13 1 1 MET C C 171.767 0.400 1 14 2 2 LEU N N 127.160 0.400 1 15 2 2 LEU H H 8.509 0.020 1 16 2 2 LEU CA C 54.471 0.400 1 17 2 2 LEU HA H 4.463 0.020 1 18 2 2 LEU CB C 43.595 0.400 1 19 2 2 LEU HB2 H 1.701 0.020 2 20 2 2 LEU HB3 H 1.332 0.020 2 21 2 2 LEU CG C 26.799 0.400 1 22 2 2 LEU HG H 1.515 0.020 1 23 2 2 LEU CD1 C 24.800 0.400 1 24 2 2 LEU HD11 H 0.882 0.020 2 25 2 2 LEU HD12 H 0.882 0.020 2 26 2 2 LEU HD13 H 0.882 0.020 2 27 2 2 LEU CD2 C 23.489 0.400 1 28 2 2 LEU HD21 H 0.808 0.020 2 29 2 2 LEU HD22 H 0.808 0.020 2 30 2 2 LEU HD23 H 0.808 0.020 2 31 2 2 LEU C C 173.944 0.400 1 32 3 3 LEU N N 122.555 0.400 1 33 3 3 LEU H H 7.844 0.020 1 34 3 3 LEU CA C 53.566 0.400 1 35 3 3 LEU HA H 5.128 0.020 1 36 3 3 LEU CB C 44.039 0.400 1 37 3 3 LEU HB2 H 1.553 0.020 2 38 3 3 LEU HB3 H 1.149 0.020 2 39 3 3 LEU CG C 27.696 0.400 1 40 3 3 LEU HG H 1.298 0.020 1 41 3 3 LEU CD1 C 24.708 0.400 1 42 3 3 LEU HD11 H 0.463 0.020 2 43 3 3 LEU HD12 H 0.463 0.020 2 44 3 3 LEU HD13 H 0.463 0.020 2 45 3 3 LEU CD2 C 24.148 0.400 1 46 3 3 LEU HD21 H 0.259 0.020 2 47 3 3 LEU HD22 H 0.259 0.020 2 48 3 3 LEU HD23 H 0.259 0.020 2 49 3 3 LEU C C 175.423 0.400 1 50 4 4 TYR N N 119.315 0.400 1 51 4 4 TYR H H 8.360 0.020 1 52 4 4 TYR CA C 56.577 0.400 1 53 4 4 TYR HA H 5.143 0.020 1 54 4 4 TYR CB C 43.840 0.400 1 55 4 4 TYR HB2 H 2.291 0.020 2 56 4 4 TYR HB3 H 2.458 0.020 2 57 4 4 TYR CD1 C 132.249 0.400 1 58 4 4 TYR HD1 H 6.435 0.020 1 59 4 4 TYR CE1 C 118.201 0.400 1 60 4 4 TYR HE1 H 6.447 0.020 1 61 4 4 TYR CE2 C 118.201 0.400 1 62 4 4 TYR HE2 H 6.447 0.020 1 63 4 4 TYR CD2 C 132.249 0.400 1 64 4 4 TYR HD2 H 6.435 0.020 1 65 4 4 TYR C C 174.481 0.400 1 66 5 5 VAL N N 119.952 0.400 1 67 5 5 VAL H H 8.918 0.020 1 68 5 5 VAL CA C 59.852 0.400 1 69 5 5 VAL HA H 5.106 0.020 1 70 5 5 VAL CB C 33.816 0.400 1 71 5 5 VAL HB H 1.861 0.020 1 72 5 5 VAL CG1 C 20.798 0.400 1 73 5 5 VAL HG11 H 0.726 0.020 2 74 5 5 VAL HG12 H 0.726 0.020 2 75 5 5 VAL HG13 H 0.726 0.020 2 76 5 5 VAL CG2 C 22.186 0.400 1 77 5 5 VAL HG21 H 0.947 0.020 2 78 5 5 VAL HG22 H 0.947 0.020 2 79 5 5 VAL HG23 H 0.947 0.020 2 80 5 5 VAL C C 174.042 0.400 1 81 6 6 LEU N N 126.917 0.400 1 82 6 6 LEU H H 9.315 0.020 1 83 6 6 LEU CA C 52.090 0.400 1 84 6 6 LEU HA H 5.466 0.020 1 85 6 6 LEU CB C 44.103 0.400 1 86 6 6 LEU HB2 H 1.179 0.020 2 87 6 6 LEU HB3 H 1.648 0.020 2 88 6 6 LEU CG C 27.000 0.400 1 89 6 6 LEU HG H 1.525 0.020 1 90 6 6 LEU CD1 C 25.583 0.400 1 91 6 6 LEU HD11 H 0.770 0.020 2 92 6 6 LEU HD12 H 0.770 0.020 2 93 6 6 LEU HD13 H 0.770 0.020 2 94 6 6 LEU CD2 C 24.213 0.400 1 95 6 6 LEU HD21 H 0.686 0.020 2 96 6 6 LEU HD22 H 0.686 0.020 2 97 6 6 LEU HD23 H 0.686 0.020 2 98 6 6 LEU C C 175.049 0.400 1 99 7 7 ILE N N 119.778 0.400 1 100 7 7 ILE H H 8.458 0.020 1 101 7 7 ILE CA C 58.463 0.400 1 102 7 7 ILE HA H 5.131 0.020 1 103 7 7 ILE CB C 41.020 0.400 1 104 7 7 ILE HB H 1.522 0.020 1 105 7 7 ILE CG2 C 16.806 0.400 1 106 7 7 ILE HG21 H 0.798 0.020 1 107 7 7 ILE HG22 H 0.798 0.020 1 108 7 7 ILE HG23 H 0.798 0.020 1 109 7 7 ILE CG1 C 27.841 0.400 1 110 7 7 ILE HG12 H 1.424 0.020 2 111 7 7 ILE HG13 H 0.893 0.020 2 112 7 7 ILE CD1 C 13.689 0.400 1 113 7 7 ILE HD11 H 0.620 0.020 1 114 7 7 ILE HD12 H 0.620 0.020 1 115 7 7 ILE HD13 H 0.620 0.020 1 116 7 7 ILE C C 173.213 0.400 1 117 8 8 ILE N N 128.919 0.400 1 118 8 8 ILE H H 8.797 0.020 1 119 8 8 ILE CA C 60.227 0.400 1 120 8 8 ILE HA H 4.611 0.020 1 121 8 8 ILE CB C 37.665 0.400 1 122 8 8 ILE HB H 1.895 0.020 1 123 8 8 ILE CG2 C 17.453 0.400 1 124 8 8 ILE HG21 H 0.786 0.020 1 125 8 8 ILE HG22 H 0.786 0.020 1 126 8 8 ILE HG23 H 0.786 0.020 1 127 8 8 ILE CG1 C 26.303 0.400 1 128 8 8 ILE HG12 H 1.362 0.020 2 129 8 8 ILE HG13 H 0.887 0.020 2 130 8 8 ILE CD1 C 13.689 0.400 1 131 8 8 ILE HD11 H 0.709 0.020 1 132 8 8 ILE HD12 H 0.709 0.020 1 133 8 8 ILE HD13 H 0.709 0.020 1 134 8 8 ILE C C 174.611 0.400 1 135 9 9 SER N N 116.365 0.400 1 136 9 9 SER H H 7.811 0.020 1 137 9 9 SER CA C 58.241 0.400 1 138 9 9 SER HA H 4.429 0.020 1 139 9 9 SER CB C 64.261 0.400 1 140 9 9 SER HB2 H 2.991 0.020 2 141 9 9 SER HB3 H 3.925 0.020 2 142 9 9 SER HG H 6.060 0.020 1 143 9 9 SER C C 172.937 0.400 1 144 10 10 ASN N N 122.612 0.400 1 145 10 10 ASN H H 8.641 0.020 1 146 10 10 ASN CA C 52.221 0.400 1 147 10 10 ASN HA H 4.938 0.020 1 148 10 10 ASN CB C 39.128 0.400 1 149 10 10 ASN HB2 H 2.928 0.020 2 150 10 10 ASN HB3 H 2.753 0.020 2 151 10 10 ASN ND2 N 113.401 0.400 1 152 10 10 ASN HD21 H 6.984 0.020 2 153 10 10 ASN HD22 H 7.605 0.020 2 154 10 10 ASN C C 174.497 0.400 1 155 11 11 ASP N N 122.717 0.400 1 156 11 11 ASP H H 8.673 0.020 1 157 11 11 ASP CA C 53.233 0.400 1 158 11 11 ASP HA H 4.596 0.020 1 159 11 11 ASP CB C 40.965 0.400 1 160 11 11 ASP HB2 H 2.432 0.020 2 161 11 11 ASP HB3 H 2.994 0.020 2 162 11 11 ASP C C 175.342 0.400 1 163 12 12 LYS N N 125.737 0.400 1 164 12 12 LYS H H 8.562 0.020 1 165 12 12 LYS CA C 59.581 0.400 1 166 12 12 LYS HA H 3.854 0.020 1 167 12 12 LYS CB C 32.378 0.400 1 168 12 12 LYS HB2 H 1.864 0.020 2 169 12 12 LYS HB3 H 1.866 0.020 2 170 12 12 LYS CG C 25.000 0.400 1 171 12 12 LYS HG2 H 1.445 0.020 2 172 12 12 LYS HG3 H 1.594 0.020 2 173 12 12 LYS CD C 29.089 0.400 1 174 12 12 LYS HD2 H 1.700 0.020 1 175 12 12 LYS HD3 H 1.700 0.020 1 176 12 12 LYS CE C 41.800 0.400 1 177 12 12 LYS HE2 H 3.007 0.020 2 178 12 12 LYS HE3 H 2.965 0.020 2 179 12 12 LYS C C 178.754 0.400 1 180 13 13 LYS N N 119.604 0.400 1 181 13 13 LYS H H 8.075 0.020 1 182 13 13 LYS CA C 58.532 0.400 1 183 13 13 LYS HA H 4.154 0.020 1 184 13 13 LYS CB C 31.452 0.400 1 185 13 13 LYS HB2 H 1.916 0.020 2 186 13 13 LYS HB3 H 1.914 0.020 2 187 13 13 LYS CG C 25.000 0.400 1 188 13 13 LYS HG2 H 1.430 0.020 2 189 13 13 LYS HG3 H 1.497 0.020 2 190 13 13 LYS CD C 28.935 0.400 1 191 13 13 LYS HD2 H 1.700 0.020 2 192 13 13 LYS HD3 H 1.702 0.020 2 193 13 13 LYS CE C 41.800 0.400 1 194 13 13 LYS HE2 H 2.960 0.020 2 195 13 13 LYS HE3 H 2.958 0.020 2 196 13 13 LYS C C 178.315 0.400 1 197 14 14 LEU N N 122.266 0.400 1 198 14 14 LEU H H 7.552 0.020 1 199 14 14 LEU CA C 58.999 0.400 1 200 14 14 LEU HA H 3.682 0.020 1 201 14 14 LEU CB C 41.228 0.400 1 202 14 14 LEU HB2 H 1.522 0.020 2 203 14 14 LEU HB3 H 1.902 0.020 2 204 14 14 LEU CG C 28.115 0.400 1 205 14 14 LEU HG H 1.349 0.020 1 206 14 14 LEU CD1 C 25.643 0.400 1 207 14 14 LEU HD11 H 0.677 0.020 2 208 14 14 LEU HD12 H 0.677 0.020 2 209 14 14 LEU HD13 H 0.677 0.020 2 210 14 14 LEU CD2 C 24.353 0.400 1 211 14 14 LEU HD21 H 0.708 0.020 2 212 14 14 LEU HD22 H 0.708 0.020 2 213 14 14 LEU HD23 H 0.708 0.020 2 214 14 14 LEU C C 178.429 0.400 1 215 15 15 ILE N N 118.214 0.400 1 216 15 15 ILE H H 8.074 0.020 1 217 15 15 ILE CA C 65.939 0.400 1 218 15 15 ILE HA H 3.264 0.020 1 219 15 15 ILE CB C 37.983 0.400 1 220 15 15 ILE HB H 1.729 0.020 1 221 15 15 ILE CG2 C 17.317 0.400 1 222 15 15 ILE HG21 H 0.809 0.020 1 223 15 15 ILE HG22 H 0.809 0.020 1 224 15 15 ILE HG23 H 0.809 0.020 1 225 15 15 ILE CG1 C 29.425 0.400 1 226 15 15 ILE HG12 H 1.693 0.020 2 227 15 15 ILE HG13 H 0.754 0.020 2 228 15 15 ILE CD1 C 13.000 0.400 1 229 15 15 ILE HD11 H 0.759 0.020 1 230 15 15 ILE HD12 H 0.759 0.020 1 231 15 15 ILE HD13 H 0.759 0.020 1 232 15 15 ILE C C 177.000 0.400 1 233 16 16 GLU N N 118.484 0.400 1 234 16 16 GLU H H 8.016 0.020 1 235 16 16 GLU CA C 59.032 0.400 1 236 16 16 GLU HA H 4.045 0.020 1 237 16 16 GLU CB C 29.200 0.400 1 238 16 16 GLU HB2 H 2.075 0.020 2 239 16 16 GLU HB3 H 2.165 0.020 2 240 16 16 GLU CG C 36.000 0.400 1 241 16 16 GLU HG2 H 2.338 0.020 2 242 16 16 GLU HG3 H 2.298 0.020 2 243 16 16 GLU C C 179.388 0.400 1 244 17 17 GLU N N 118.100 0.400 1 245 17 17 GLU H H 8.063 0.020 1 246 17 17 GLU CA C 58.636 0.400 1 247 17 17 GLU HA H 4.053 0.020 1 248 17 17 GLU CB C 29.011 0.400 1 249 17 17 GLU HB2 H 1.941 0.020 2 250 17 17 GLU HB3 H 2.006 0.020 2 251 17 17 GLU CG C 36.000 0.400 1 252 17 17 GLU HG2 H 2.244 0.020 2 253 17 17 GLU HG3 H 2.429 0.020 2 254 17 17 GLU C C 179.306 0.400 1 255 18 18 ALA N N 122.439 0.400 1 256 18 18 ALA H H 8.655 0.020 1 257 18 18 ALA CA C 54.960 0.400 1 258 18 18 ALA HA H 3.775 0.020 1 259 18 18 ALA CB C 17.960 0.400 1 260 18 18 ALA HB1 H 1.227 0.020 1 261 18 18 ALA HB2 H 1.227 0.020 1 262 18 18 ALA HB3 H 1.227 0.020 1 263 18 18 ALA C C 178.559 0.400 1 264 19 19 ARG N N 118.563 0.400 1 265 19 19 ARG H H 8.900 0.020 1 266 19 19 ARG CA C 59.976 0.400 1 267 19 19 ARG HA H 3.809 0.020 1 268 19 19 ARG CB C 29.572 0.400 1 269 19 19 ARG HB2 H 1.892 0.020 2 270 19 19 ARG HB3 H 1.929 0.020 2 271 19 19 ARG CG C 27.707 0.400 1 272 19 19 ARG HG2 H 1.585 0.020 2 273 19 19 ARG HG3 H 1.760 0.020 2 274 19 19 ARG CD C 43.165 0.400 1 275 19 19 ARG HD2 H 3.176 0.020 1 276 19 19 ARG HD3 H 3.176 0.020 1 277 19 19 ARG NE N 83.223 0.400 1 278 19 19 ARG HE H 7.450 0.020 1 279 19 19 ARG C C 178.721 0.400 1 280 20 20 LYS N N 118.638 0.400 1 281 20 20 LYS H H 7.792 0.020 1 282 20 20 LYS CA C 59.296 0.400 1 283 20 20 LYS HA H 4.052 0.020 1 284 20 20 LYS CB C 32.216 0.400 1 285 20 20 LYS HB2 H 1.889 0.020 2 286 20 20 LYS HB3 H 1.934 0.020 2 287 20 20 LYS CG C 25.107 0.400 1 288 20 20 LYS HG2 H 1.457 0.020 2 289 20 20 LYS HG3 H 1.674 0.020 2 290 20 20 LYS CD C 29.193 0.400 1 291 20 20 LYS HD2 H 1.677 0.020 2 292 20 20 LYS HD3 H 1.674 0.020 2 293 20 20 LYS CE C 41.800 0.400 1 294 20 20 LYS HE2 H 2.912 0.020 1 295 20 20 LYS HE3 H 2.913 0.020 1 296 20 20 LYS C C 179.648 0.400 1 297 21 21 MET N N 118.100 0.400 1 298 21 21 MET H H 7.684 0.020 1 299 21 21 MET CA C 57.009 0.400 1 300 21 21 MET HA H 4.411 0.020 1 301 21 21 MET CB C 32.028 0.400 1 302 21 21 MET HB2 H 2.050 0.020 2 303 21 21 MET HB3 H 2.399 0.020 2 304 21 21 MET CG C 31.909 0.400 1 305 21 21 MET HG2 H 2.940 0.020 2 306 21 21 MET HG3 H 2.400 0.020 2 307 21 21 MET CE C 17.935 0.400 1 308 21 21 MET HE1 H 2.098 0.020 1 309 21 21 MET HE2 H 2.098 0.020 1 310 21 21 MET HE3 H 2.098 0.020 1 311 21 21 MET C C 177.909 0.400 1 312 22 22 ALA N N 122.150 0.400 1 313 22 22 ALA H H 8.815 0.020 1 314 22 22 ALA CA C 55.427 0.400 1 315 22 22 ALA HA H 3.826 0.020 1 316 22 22 ALA CB C 18.059 0.400 1 317 22 22 ALA HB1 H 1.435 0.020 1 318 22 22 ALA HB2 H 1.435 0.020 1 319 22 22 ALA HB3 H 1.435 0.020 1 320 22 22 ALA C C 178.835 0.400 1 321 23 23 GLU N N 117.001 0.400 1 322 23 23 GLU H H 8.276 0.020 1 323 23 23 GLU CA C 58.999 0.400 1 324 23 23 GLU HA H 4.146 0.020 1 325 23 23 GLU CB C 29.160 0.400 1 326 23 23 GLU HB2 H 2.086 0.020 2 327 23 23 GLU HB3 H 2.153 0.020 2 328 23 23 GLU CG C 36.227 0.400 1 329 23 23 GLU HG2 H 2.270 0.020 2 330 23 23 GLU HG3 H 2.490 0.020 2 331 23 23 GLU C C 180.151 0.400 1 332 24 24 LYS N N 119.960 0.400 1 333 24 24 LYS H H 7.573 0.020 1 334 24 24 LYS CA C 58.261 0.400 1 335 24 24 LYS HA H 4.101 0.020 1 336 24 24 LYS CB C 32.079 0.400 1 337 24 24 LYS HB2 H 1.962 0.020 1 338 24 24 LYS HB3 H 1.962 0.020 1 339 24 24 LYS CG C 25.000 0.400 1 340 24 24 LYS HG2 H 1.586 0.020 2 341 24 24 LYS HG3 H 1.508 0.020 2 342 24 24 LYS CD C 28.900 0.400 1 343 24 24 LYS HD2 H 1.695 0.020 1 344 24 24 LYS HD3 H 1.696 0.020 1 345 24 24 LYS CE C 41.800 0.400 1 346 24 24 LYS HE2 H 2.962 0.020 1 347 24 24 LYS HE3 H 2.962 0.020 1 348 24 24 LYS C C 177.145 0.400 1 349 25 25 ALA N N 119.257 0.400 1 350 25 25 ALA H H 7.710 0.020 1 351 25 25 ALA CA C 51.208 0.400 1 352 25 25 ALA HA H 4.413 0.020 1 353 25 25 ALA CB C 18.520 0.400 1 354 25 25 ALA HB1 H 1.338 0.020 1 355 25 25 ALA HB2 H 1.338 0.020 1 356 25 25 ALA HB3 H 1.338 0.020 1 357 25 25 ALA C C 175.325 0.400 1 358 26 26 ASN N N 115.266 0.400 1 359 26 26 ASN H H 7.840 0.020 1 360 26 26 ASN CA C 54.307 0.400 1 361 26 26 ASN HA H 4.357 0.020 1 362 26 26 ASN CB C 36.972 0.400 1 363 26 26 ASN HB2 H 2.736 0.020 2 364 26 26 ASN HB3 H 3.066 0.020 2 365 26 26 ASN ND2 N 112.341 0.400 1 366 26 26 ASN HD21 H 6.751 0.020 2 367 26 26 ASN HD22 H 7.466 0.020 2 368 26 26 ASN C C 173.587 0.400 1 369 27 27 LEU N N 116.828 0.400 1 370 27 27 LEU H H 8.241 0.020 1 371 27 27 LEU CA C 52.923 0.400 1 372 27 27 LEU HA H 4.652 0.020 1 373 27 27 LEU CB C 44.090 0.400 1 374 27 27 LEU HB2 H 1.457 0.020 2 375 27 27 LEU HB3 H 1.343 0.020 2 376 27 27 LEU CG C 26.520 0.400 1 377 27 27 LEU HG H 1.598 0.020 1 378 27 27 LEU CD1 C 26.588 0.400 1 379 27 27 LEU HD11 H 0.768 0.020 2 380 27 27 LEU HD12 H 0.768 0.020 2 381 27 27 LEU HD13 H 0.768 0.020 2 382 27 27 LEU CD2 C 25.255 0.400 1 383 27 27 LEU HD21 H 0.729 0.020 2 384 27 27 LEU HD22 H 0.729 0.020 2 385 27 27 LEU HD23 H 0.729 0.020 2 386 27 27 LEU C C 175.894 0.400 1 387 28 28 GLU N N 121.340 0.400 1 388 28 28 GLU H H 7.798 0.020 1 389 28 28 GLU CA C 55.460 0.400 1 390 28 28 GLU HA H 4.310 0.020 1 391 28 28 GLU CB C 30.512 0.400 1 392 28 28 GLU HB2 H 1.742 0.020 2 393 28 28 GLU HB3 H 1.563 0.020 2 394 28 28 GLU CG C 35.828 0.400 1 395 28 28 GLU HG2 H 2.063 0.020 1 396 28 28 GLU HG3 H 2.063 0.020 1 397 28 28 GLU C C 173.944 0.400 1 398 29 29 LEU N N 126.547 0.400 1 399 29 29 LEU H H 8.451 0.020 1 400 29 29 LEU CA C 53.186 0.400 1 401 29 29 LEU HA H 5.662 0.020 1 402 29 29 LEU CB C 44.914 0.400 1 403 29 29 LEU HB2 H 1.159 0.020 2 404 29 29 LEU HB3 H 1.596 0.020 2 405 29 29 LEU CG C 27.000 0.400 1 406 29 29 LEU HG H 1.435 0.020 1 407 29 29 LEU CD1 C 26.644 0.400 1 408 29 29 LEU HD11 H 0.653 0.020 2 409 29 29 LEU HD12 H 0.653 0.020 2 410 29 29 LEU HD13 H 0.653 0.020 2 411 29 29 LEU CD2 C 24.697 0.400 1 412 29 29 LEU HD21 H 0.642 0.020 2 413 29 29 LEU HD22 H 0.642 0.020 2 414 29 29 LEU HD23 H 0.642 0.020 2 415 29 29 LEU C C 176.902 0.400 1 416 30 30 ARG N N 125.043 0.400 1 417 30 30 ARG H H 9.094 0.020 1 418 30 30 ARG CA C 53.417 0.400 1 419 30 30 ARG HA H 4.910 0.020 1 420 30 30 ARG CB C 32.555 0.400 1 421 30 30 ARG HB2 H 1.603 0.020 2 422 30 30 ARG HB3 H 1.370 0.020 2 423 30 30 ARG CG C 26.440 0.400 1 424 30 30 ARG HG2 H 1.293 0.020 2 425 30 30 ARG HG3 H 1.530 0.020 2 426 30 30 ARG CD C 42.607 0.400 1 427 30 30 ARG HD2 H 2.673 0.020 2 428 30 30 ARG HD3 H 3.083 0.020 2 429 30 30 ARG NE N 84.197 0.400 1 430 30 30 ARG HE H 7.789 0.020 1 431 30 30 ARG C C 175.147 0.400 1 432 31 31 THR N N 114.745 0.400 1 433 31 31 THR H H 8.496 0.020 1 434 31 31 THR CA C 60.445 0.400 1 435 31 31 THR HA H 4.888 0.020 1 436 31 31 THR CB C 69.492 0.400 1 437 31 31 THR HB H 4.240 0.020 1 438 31 31 THR CG2 C 22.099 0.400 1 439 31 31 THR HG21 H 1.140 0.020 1 440 31 31 THR HG22 H 1.140 0.020 1 441 31 31 THR HG23 H 1.140 0.020 1 442 31 31 THR C C 173.961 0.400 1 443 32 32 VAL N N 122.324 0.400 1 444 32 32 VAL H H 8.480 0.020 1 445 32 32 VAL CA C 60.946 0.400 1 446 32 32 VAL HA H 4.411 0.020 1 447 32 32 VAL CB C 34.487 0.400 1 448 32 32 VAL HB H 1.940 0.020 1 449 32 32 VAL CG1 C 23.398 0.400 1 450 32 32 VAL HG11 H 0.907 0.020 2 451 32 32 VAL HG12 H 0.907 0.020 2 452 32 32 VAL HG13 H 0.907 0.020 2 453 32 32 VAL CG2 C 22.020 0.400 1 454 32 32 VAL HG21 H 0.831 0.020 2 455 32 32 VAL HG22 H 0.831 0.020 2 456 32 32 VAL HG23 H 0.831 0.020 2 457 32 32 VAL C C 175.082 0.400 1 458 33 33 LYS N N 123.654 0.400 1 459 33 33 LYS H H 9.304 0.020 1 460 33 33 LYS CA C 56.846 0.400 1 461 33 33 LYS HA H 4.534 0.020 1 462 33 33 LYS CB C 34.355 0.400 1 463 33 33 LYS HB2 H 1.917 0.020 2 464 33 33 LYS HB3 H 1.915 0.020 2 465 33 33 LYS CG C 24.849 0.400 1 466 33 33 LYS HG2 H 1.548 0.020 2 467 33 33 LYS HG3 H 1.504 0.020 2 468 33 33 LYS CD C 28.639 0.400 1 469 33 33 LYS HD2 H 1.724 0.020 1 470 33 33 LYS HD3 H 1.724 0.020 1 471 33 33 LYS CE C 41.800 0.400 1 472 33 33 LYS HE2 H 3.020 0.020 1 473 33 33 LYS HE3 H 3.020 0.020 1 474 33 33 LYS C C 176.740 0.400 1 475 34 34 THR N N 106.300 0.400 1 476 34 34 THR H H 7.245 0.020 1 477 34 34 THR CA C 58.859 0.400 1 478 34 34 THR HA H 4.780 0.020 1 479 34 34 THR CB C 73.023 0.400 1 480 34 34 THR HB H 4.595 0.020 1 481 34 34 THR CG2 C 21.621 0.400 1 482 34 34 THR HG21 H 1.174 0.020 1 483 34 34 THR HG22 H 1.174 0.020 1 484 34 34 THR HG23 H 1.174 0.020 1 485 34 34 THR C C 174.529 0.400 1 486 35 35 GLU N N 121.919 0.400 1 487 35 35 GLU H H 9.174 0.020 1 488 35 35 GLU CA C 59.233 0.400 1 489 35 35 GLU HA H 3.886 0.020 1 490 35 35 GLU CB C 29.377 0.400 1 491 35 35 GLU HB2 H 2.007 0.020 2 492 35 35 GLU HB3 H 2.080 0.020 2 493 35 35 GLU CG C 36.405 0.400 1 494 35 35 GLU HG2 H 2.196 0.020 1 495 35 35 GLU HG3 H 2.196 0.020 1 496 35 35 GLU C C 177.714 0.400 1 497 36 36 ASP N N 118.332 0.400 1 498 36 36 ASP H H 8.185 0.020 1 499 36 36 ASP CA C 56.962 0.400 1 500 36 36 ASP HA H 4.289 0.020 1 501 36 36 ASP CB C 40.214 0.400 1 502 36 36 ASP HB2 H 2.505 0.020 1 503 36 36 ASP HB3 H 2.506 0.020 1 504 36 36 ASP C C 178.348 0.400 1 505 37 37 GLU N N 120.704 0.400 1 506 37 37 GLU H H 7.741 0.020 1 507 37 37 GLU CA C 58.698 0.400 1 508 37 37 GLU HA H 3.708 0.020 1 509 37 37 GLU CB C 30.199 0.400 1 510 37 37 GLU HB2 H 1.977 0.020 2 511 37 37 GLU HB3 H 2.125 0.020 2 512 37 37 GLU CG C 36.945 0.400 1 513 37 37 GLU HG2 H 2.258 0.020 2 514 37 37 GLU HG3 H 2.109 0.020 2 515 37 37 GLU C C 177.324 0.400 1 516 38 38 LEU N N 119.200 0.400 1 517 38 38 LEU H H 7.531 0.020 1 518 38 38 LEU CA C 58.305 0.400 1 519 38 38 LEU HA H 3.873 0.020 1 520 38 38 LEU CB C 40.837 0.400 1 521 38 38 LEU HB2 H 1.455 0.020 2 522 38 38 LEU HB3 H 2.072 0.020 2 523 38 38 LEU CG C 27.000 0.400 1 524 38 38 LEU HG H 1.459 0.020 1 525 38 38 LEU CD1 C 23.569 0.400 1 526 38 38 LEU HD11 H 0.860 0.020 2 527 38 38 LEU HD12 H 0.860 0.020 2 528 38 38 LEU HD13 H 0.860 0.020 2 529 38 38 LEU CD2 C 25.549 0.400 1 530 38 38 LEU HD21 H 0.822 0.020 2 531 38 38 LEU HD22 H 0.822 0.020 2 532 38 38 LEU HD23 H 0.822 0.020 2 533 38 38 LEU C C 177.357 0.400 1 534 39 39 LYS N N 116.943 0.400 1 535 39 39 LYS H H 8.083 0.020 1 536 39 39 LYS CA C 60.290 0.400 1 537 39 39 LYS HA H 3.608 0.020 1 538 39 39 LYS CB C 32.178 0.400 1 539 39 39 LYS HB2 H 1.798 0.020 2 540 39 39 LYS HB3 H 1.862 0.020 2 541 39 39 LYS CG C 25.609 0.400 1 542 39 39 LYS HG2 H 1.344 0.020 2 543 39 39 LYS HG3 H 1.441 0.020 2 544 39 39 LYS CD C 29.357 0.400 1 545 39 39 LYS HD2 H 1.654 0.020 2 546 39 39 LYS HD3 H 1.641 0.020 2 547 39 39 LYS CE C 41.800 0.400 1 548 39 39 LYS HE2 H 2.871 0.020 2 549 39 39 LYS HE3 H 2.877 0.020 2 550 39 39 LYS C C 177.373 0.400 1 551 40 40 LYS N N 118.274 0.400 1 552 40 40 LYS H H 7.632 0.020 1 553 40 40 LYS CA C 58.993 0.400 1 554 40 40 LYS HA H 3.864 0.020 1 555 40 40 LYS CB C 31.758 0.400 1 556 40 40 LYS HB2 H 1.646 0.020 2 557 40 40 LYS HB3 H 1.683 0.020 2 558 40 40 LYS CG C 24.651 0.400 1 559 40 40 LYS HG2 H 1.157 0.020 2 560 40 40 LYS HG3 H 1.358 0.020 2 561 40 40 LYS CD C 28.900 0.400 1 562 40 40 LYS HD2 H 1.464 0.020 1 563 40 40 LYS HD3 H 1.465 0.020 1 564 40 40 LYS CE C 41.800 0.400 1 565 40 40 LYS HE2 H 2.768 0.020 1 566 40 40 LYS HE3 H 2.769 0.020 1 567 40 40 LYS C C 179.566 0.400 1 568 41 41 TYR N N 117.811 0.400 1 569 41 41 TYR H H 7.823 0.020 1 570 41 41 TYR CA C 59.757 0.400 1 571 41 41 TYR HA H 3.926 0.020 1 572 41 41 TYR CB C 36.901 0.400 1 573 41 41 TYR HB2 H 2.314 0.020 2 574 41 41 TYR HB3 H 2.638 0.020 2 575 41 41 TYR CD1 C 131.894 0.400 1 576 41 41 TYR HD1 H 6.828 0.020 1 577 41 41 TYR CE1 C 118.201 0.400 1 578 41 41 TYR HE1 H 6.855 0.020 1 579 41 41 TYR CE2 C 118.201 0.400 1 580 41 41 TYR HE2 H 6.855 0.020 1 581 41 41 TYR CD2 C 131.894 0.400 1 582 41 41 TYR HD2 H 6.828 0.020 1 583 41 41 TYR C C 176.625 0.400 1 584 42 42 LEU N N 115.960 0.400 1 585 42 42 LEU H H 7.964 0.020 1 586 42 42 LEU CA C 58.237 0.400 1 587 42 42 LEU HA H 3.704 0.020 1 588 42 42 LEU CB C 40.507 0.400 1 589 42 42 LEU HB2 H 1.807 0.020 2 590 42 42 LEU HB3 H 1.302 0.020 2 591 42 42 LEU CG C 26.360 0.400 1 592 42 42 LEU HG H 1.896 0.020 1 593 42 42 LEU CD1 C 25.643 0.400 1 594 42 42 LEU HD11 H 0.688 0.020 2 595 42 42 LEU HD12 H 0.688 0.020 2 596 42 42 LEU HD13 H 0.688 0.020 2 597 42 42 LEU CD2 C 21.928 0.400 1 598 42 42 LEU HD21 H 0.766 0.020 2 599 42 42 LEU HD22 H 0.766 0.020 2 600 42 42 LEU HD23 H 0.766 0.020 2 601 42 42 LEU C C 178.396 0.400 1 602 43 43 GLU N N 117.175 0.400 1 603 43 43 GLU H H 8.193 0.020 1 604 43 43 GLU CA C 59.122 0.400 1 605 43 43 GLU HA H 3.882 0.020 1 606 43 43 GLU CB C 29.244 0.400 1 607 43 43 GLU HB2 H 1.906 0.020 2 608 43 43 GLU HB3 H 2.064 0.020 2 609 43 43 GLU CG C 36.307 0.400 1 610 43 43 GLU HG2 H 2.188 0.020 2 611 43 43 GLU HG3 H 2.322 0.020 2 612 43 43 GLU C C 179.193 0.400 1 613 44 44 GLU N N 120.472 0.400 1 614 44 44 GLU H H 7.601 0.020 1 615 44 44 GLU CA C 58.867 0.400 1 616 44 44 GLU HA H 3.936 0.020 1 617 44 44 GLU CB C 28.648 0.400 1 618 44 44 GLU HB2 H 2.000 0.020 1 619 44 44 GLU HB3 H 2.000 0.020 1 620 44 44 GLU CG C 35.748 0.400 1 621 44 44 GLU HG2 H 2.134 0.020 2 622 44 44 GLU HG3 H 2.353 0.020 2 623 44 44 GLU C C 179.875 0.400 1 624 45 45 PHE N N 119.272 0.400 1 625 45 45 PHE H H 8.260 0.020 1 626 45 45 PHE CA C 55.945 0.400 1 627 45 45 PHE HA H 4.520 0.020 1 628 45 45 PHE CB C 36.680 0.400 1 629 45 45 PHE HB2 H 2.983 0.020 2 630 45 45 PHE HB3 H 2.967 0.020 2 631 45 45 PHE CD1 C 129.629 0.400 1 632 45 45 PHE HD1 H 6.662 0.020 1 633 45 45 PHE CE1 C 129.731 0.400 1 634 45 45 PHE HE1 H 6.509 0.020 1 635 45 45 PHE CZ C 127.521 0.400 1 636 45 45 PHE HZ H 6.139 0.020 1 637 45 45 PHE CE2 C 129.731 0.400 1 638 45 45 PHE HE2 H 6.509 0.020 1 639 45 45 PHE CD2 C 129.629 0.400 1 640 45 45 PHE HD2 H 6.662 0.020 1 641 45 45 PHE C C 177.942 0.400 1 642 46 46 ARG N N 118.136 0.400 1 643 46 46 ARG H H 8.023 0.020 1 644 46 46 ARG CA C 58.194 0.400 1 645 46 46 ARG HA H 4.074 0.020 1 646 46 46 ARG CB C 29.737 0.400 1 647 46 46 ARG HB2 H 1.974 0.020 2 648 46 46 ARG HB3 H 1.959 0.020 2 649 46 46 ARG CG C 26.759 0.400 1 650 46 46 ARG HG2 H 1.825 0.020 2 651 46 46 ARG HG3 H 1.787 0.020 2 652 46 46 ARG CD C 43.644 0.400 1 653 46 46 ARG HD2 H 3.314 0.020 2 654 46 46 ARG HD3 H 3.193 0.020 2 655 46 46 ARG NE N 84.197 0.400 1 656 46 46 ARG HE H 7.468 0.020 1 657 46 46 ARG C C 177.617 0.400 1 658 47 47 LYS N N 116.943 0.400 1 659 47 47 LYS H H 7.470 0.020 1 660 47 47 LYS CA C 57.726 0.400 1 661 47 47 LYS HA H 4.143 0.020 1 662 47 47 LYS CB C 32.409 0.400 1 663 47 47 LYS HB2 H 1.968 0.020 2 664 47 47 LYS HB3 H 1.924 0.020 2 665 47 47 LYS CG C 25.000 0.400 1 666 47 47 LYS HG2 H 1.491 0.020 2 667 47 47 LYS HG3 H 1.622 0.020 2 668 47 47 LYS CD C 29.277 0.400 1 669 47 47 LYS HD2 H 1.680 0.020 1 670 47 47 LYS HD3 H 1.681 0.020 1 671 47 47 LYS CE C 41.800 0.400 1 672 47 47 LYS HE2 H 2.974 0.020 1 673 47 47 LYS HE3 H 2.974 0.020 1 674 47 47 LYS C C 177.324 0.400 1 675 48 48 GLU N N 118.852 0.400 1 676 48 48 GLU H H 7.615 0.020 1 677 48 48 GLU CA C 55.945 0.400 1 678 48 48 GLU HA H 4.428 0.020 1 679 48 48 GLU CB C 29.696 0.400 1 680 48 48 GLU HB2 H 2.298 0.020 2 681 48 48 GLU HB3 H 2.047 0.020 2 682 48 48 GLU CG C 35.741 0.400 1 683 48 48 GLU HG2 H 2.333 0.020 2 684 48 48 GLU HG3 H 2.429 0.020 2 685 48 48 GLU C C 176.869 0.400 1 686 49 49 SER N N 114.224 0.400 1 687 49 49 SER H H 7.725 0.020 1 688 49 49 SER CA C 59.366 0.400 1 689 49 49 SER HA H 4.244 0.020 1 690 49 49 SER CB C 63.116 0.400 1 691 49 49 SER HB2 H 4.058 0.020 2 692 49 49 SER HB3 H 3.856 0.020 2 693 49 49 SER C C 174.838 0.400 1 694 50 50 GLN N N 120.125 0.400 1 695 50 50 GLN H H 8.548 0.020 1 696 50 50 GLN CA C 56.272 0.400 1 697 50 50 GLN HA H 4.398 0.020 1 698 50 50 GLN CB C 28.946 0.400 1 699 50 50 GLN HB2 H 2.023 0.020 2 700 50 50 GLN HB3 H 2.174 0.020 2 701 50 50 GLN CG C 33.905 0.400 1 702 50 50 GLN HG2 H 2.400 0.020 2 703 50 50 GLN HG3 H 2.431 0.020 2 704 50 50 GLN NE2 N 112.801 0.400 1 705 50 50 GLN HE21 H 6.919 0.020 2 706 50 50 GLN HE22 H 7.623 0.020 2 707 50 50 GLN C C 175.732 0.400 1 708 51 51 ASN N N 118.158 0.400 1 709 51 51 ASN H H 8.534 0.020 1 710 51 51 ASN CA C 52.804 0.400 1 711 51 51 ASN HA H 4.980 0.020 1 712 51 51 ASN CB C 39.583 0.400 1 713 51 51 ASN HB2 H 2.946 0.020 2 714 51 51 ASN HB3 H 2.675 0.020 2 715 51 51 ASN ND2 N 112.977 0.400 1 716 51 51 ASN HD21 H 6.978 0.020 2 717 51 51 ASN HD22 H 7.685 0.020 2 718 51 51 ASN C C 173.717 0.400 1 719 52 52 ILE N N 117.927 0.400 1 720 52 52 ILE H H 7.492 0.020 1 721 52 52 ILE CA C 59.364 0.400 1 722 52 52 ILE HA H 5.338 0.020 1 723 52 52 ILE CB C 42.163 0.400 1 724 52 52 ILE HB H 1.670 0.020 1 725 52 52 ILE CG2 C 17.781 0.400 1 726 52 52 ILE HG21 H 0.778 0.020 1 727 52 52 ILE HG22 H 0.778 0.020 1 728 52 52 ILE HG23 H 0.778 0.020 1 729 52 52 ILE CG1 C 27.191 0.400 1 730 52 52 ILE HG12 H 1.042 0.020 2 731 52 52 ILE HG13 H 1.457 0.020 2 732 52 52 ILE CD1 C 14.375 0.400 1 733 52 52 ILE HD11 H 0.694 0.020 1 734 52 52 ILE HD12 H 0.694 0.020 1 735 52 52 ILE HD13 H 0.694 0.020 1 736 52 52 ILE C C 175.049 0.400 1 737 53 53 LYS N N 123.249 0.400 1 738 53 53 LYS H H 8.467 0.020 1 739 53 53 LYS CA C 55.429 0.400 1 740 53 53 LYS HA H 5.044 0.020 1 741 53 53 LYS CB C 36.446 0.400 1 742 53 53 LYS HB2 H 1.841 0.020 2 743 53 53 LYS HB3 H 1.685 0.020 2 744 53 53 LYS CG C 25.000 0.400 1 745 53 53 LYS HG2 H 1.463 0.020 2 746 53 53 LYS HG3 H 1.468 0.020 2 747 53 53 LYS CD C 29.437 0.400 1 748 53 53 LYS HD2 H 1.459 0.020 2 749 53 53 LYS HD3 H 1.552 0.020 2 750 53 53 LYS CE C 41.800 0.400 1 751 53 53 LYS HE2 H 2.830 0.020 2 752 53 53 LYS HE3 H 2.833 0.020 2 753 53 53 LYS C C 175.082 0.400 1 754 54 54 VAL N N 120.762 0.400 1 755 54 54 VAL H H 8.490 0.020 1 756 54 54 VAL CA C 60.163 0.400 1 757 54 54 VAL HA H 5.159 0.020 1 758 54 54 VAL CB C 35.509 0.400 1 759 54 54 VAL HB H 1.885 0.020 1 760 54 54 VAL CG1 C 21.392 0.400 1 761 54 54 VAL HG11 H 0.761 0.020 2 762 54 54 VAL HG12 H 0.761 0.020 2 763 54 54 VAL HG13 H 0.761 0.020 2 764 54 54 VAL CG2 C 22.122 0.400 1 765 54 54 VAL HG21 H 0.654 0.020 2 766 54 54 VAL HG22 H 0.654 0.020 2 767 54 54 VAL HG23 H 0.654 0.020 2 768 54 54 VAL C C 173.473 0.400 1 769 55 55 LEU N N 131.898 0.400 1 770 55 55 LEU H H 8.636 0.020 1 771 55 55 LEU CA C 52.289 0.400 1 772 55 55 LEU HA H 4.670 0.020 1 773 55 55 LEU CB C 42.070 0.400 1 774 55 55 LEU HB2 H -0.629 0.020 2 775 55 55 LEU HB3 H 1.028 0.020 2 776 55 55 LEU CG C 27.000 0.400 1 777 55 55 LEU HG H 0.965 0.020 1 778 55 55 LEU CD1 C 22.304 0.400 1 779 55 55 LEU HD11 H 0.436 0.020 2 780 55 55 LEU HD12 H 0.436 0.020 2 781 55 55 LEU HD13 H 0.436 0.020 2 782 55 55 LEU CD2 C 26.144 0.400 1 783 55 55 LEU HD21 H 0.508 0.020 2 784 55 55 LEU HD22 H 0.508 0.020 2 785 55 55 LEU HD23 H 0.508 0.020 2 786 55 55 LEU C C 173.652 0.400 1 787 56 56 ILE N N 126.373 0.400 1 788 56 56 ILE H H 9.188 0.020 1 789 56 56 ILE CA C 59.976 0.400 1 790 56 56 ILE HA H 4.879 0.020 1 791 56 56 ILE CB C 38.181 0.400 1 792 56 56 ILE HB H 1.763 0.020 1 793 56 56 ILE CG2 C 16.631 0.400 1 794 56 56 ILE HG21 H 0.599 0.020 1 795 56 56 ILE HG22 H 0.599 0.020 1 796 56 56 ILE HG23 H 0.599 0.020 1 797 56 56 ILE CG1 C 27.600 0.400 1 798 56 56 ILE HG12 H 1.531 0.020 2 799 56 56 ILE HG13 H 0.714 0.020 2 800 56 56 ILE CD1 C 13.817 0.400 1 801 56 56 ILE HD11 H 0.707 0.020 1 802 56 56 ILE HD12 H 0.707 0.020 1 803 56 56 ILE HD13 H 0.707 0.020 1 804 56 56 ILE C C 174.172 0.400 1 805 57 57 LEU N N 126.547 0.400 1 806 57 57 LEU H H 8.929 0.020 1 807 57 57 LEU CA C 52.086 0.400 1 808 57 57 LEU HA H 5.394 0.020 1 809 57 57 LEU CB C 42.445 0.400 1 810 57 57 LEU HB2 H 1.195 0.020 2 811 57 57 LEU HB3 H 1.824 0.020 2 812 57 57 LEU CG C 26.281 0.400 1 813 57 57 LEU HG H 1.501 0.020 1 814 57 57 LEU CD1 C 23.910 0.400 1 815 57 57 LEU HD11 H 0.827 0.020 2 816 57 57 LEU HD12 H 0.827 0.020 2 817 57 57 LEU HD13 H 0.827 0.020 2 818 57 57 LEU CD2 C 25.483 0.400 1 819 57 57 LEU HD21 H 0.795 0.020 2 820 57 57 LEU HD22 H 0.795 0.020 2 821 57 57 LEU HD23 H 0.795 0.020 2 822 57 57 LEU C C 175.358 0.400 1 823 58 58 VAL N N 114.398 0.400 1 824 58 58 VAL H H 8.542 0.020 1 825 58 58 VAL CA C 58.241 0.400 1 826 58 58 VAL HA H 5.253 0.020 1 827 58 58 VAL CB C 33.165 0.400 1 828 58 58 VAL HB H 2.598 0.020 1 829 58 58 VAL CG1 C 21.780 0.400 1 830 58 58 VAL HG11 H 0.720 0.020 2 831 58 58 VAL HG12 H 0.720 0.020 2 832 58 58 VAL HG13 H 0.720 0.020 2 833 58 58 VAL CG2 C 19.320 0.400 1 834 58 58 VAL HG21 H 0.675 0.020 2 835 58 58 VAL HG22 H 0.675 0.020 2 836 58 58 VAL HG23 H 0.675 0.020 2 837 58 58 VAL C C 175.244 0.400 1 838 59 59 SER N N 115.497 0.400 1 839 59 59 SER H H 8.797 0.020 1 840 59 59 SER CA C 59.320 0.400 1 841 59 59 SER HA H 5.063 0.020 1 842 59 59 SER CB C 65.600 0.400 1 843 59 59 SER HB2 H 4.158 0.020 2 844 59 59 SER HB3 H 4.037 0.020 2 845 59 59 SER C C 174.172 0.400 1 846 60 60 ASN N N 117.522 0.400 1 847 60 60 ASN H H 7.730 0.020 1 848 60 60 ASN CA C 52.007 0.400 1 849 60 60 ASN HA H 4.811 0.020 1 850 60 60 ASN CB C 40.336 0.400 1 851 60 60 ASN HB2 H 2.892 0.020 2 852 60 60 ASN HB3 H 3.058 0.020 2 853 60 60 ASN ND2 N 113.684 0.400 1 854 60 60 ASN HD21 H 6.872 0.020 2 855 60 60 ASN HD22 H 7.374 0.020 2 856 60 60 ASN C C 174.464 0.400 1 857 61 61 ASP N N 119.431 0.400 1 858 61 61 ASP H H 8.577 0.020 1 859 61 61 ASP CA C 57.351 0.400 1 860 61 61 ASP HA H 4.365 0.020 1 861 61 61 ASP CB C 40.383 0.400 1 862 61 61 ASP HB2 H 2.509 0.020 2 863 61 61 ASP HB3 H 2.732 0.020 2 864 61 61 ASP C C 177.357 0.400 1 865 62 62 GLU N N 122.150 0.400 1 866 62 62 GLU H H 8.405 0.020 1 867 62 62 GLU CA C 59.593 0.400 1 868 62 62 GLU HA H 4.121 0.020 1 869 62 62 GLU CB C 28.478 0.400 1 870 62 62 GLU HB2 H 2.015 0.020 2 871 62 62 GLU HB3 H 2.088 0.020 2 872 62 62 GLU CG C 36.626 0.400 1 873 62 62 GLU HG2 H 2.263 0.020 1 874 62 62 GLU HG3 H 2.263 0.020 1 875 62 62 GLU C C 179.615 0.400 1 876 63 63 GLU N N 119.084 0.400 1 877 63 63 GLU H H 8.384 0.020 1 878 63 63 GLU CA C 58.273 0.400 1 879 63 63 GLU HA H 3.913 0.020 1 880 63 63 GLU CB C 29.931 0.400 1 881 63 63 GLU HB2 H 2.197 0.020 2 882 63 63 GLU HB3 H 1.778 0.020 2 883 63 63 GLU CG C 36.000 0.400 1 884 63 63 GLU HG2 H 2.295 0.020 2 885 63 63 GLU HG3 H 2.515 0.020 2 886 63 63 GLU C C 178.478 0.400 1 887 64 64 LEU N N 120.357 0.400 1 888 64 64 LEU H H 7.717 0.020 1 889 64 64 LEU CA C 58.944 0.400 1 890 64 64 LEU HA H 3.750 0.020 1 891 64 64 LEU CB C 41.695 0.400 1 892 64 64 LEU HB2 H 2.112 0.020 2 893 64 64 LEU HB3 H 1.490 0.020 2 894 64 64 LEU CG C 27.000 0.400 1 895 64 64 LEU HG H 1.480 0.020 1 896 64 64 LEU CD1 C 24.355 0.400 1 897 64 64 LEU HD11 H 0.741 0.020 2 898 64 64 LEU HD12 H 0.741 0.020 2 899 64 64 LEU HD13 H 0.741 0.020 2 900 64 64 LEU CD2 C 25.460 0.400 1 901 64 64 LEU HD21 H 0.862 0.020 2 902 64 64 LEU HD22 H 0.862 0.020 2 903 64 64 LEU HD23 H 0.862 0.020 2 904 64 64 LEU C C 177.535 0.400 1 905 65 65 ASP N N 118.100 0.400 1 906 65 65 ASP H H 7.922 0.020 1 907 65 65 ASP CA C 57.272 0.400 1 908 65 65 ASP HA H 4.313 0.020 1 909 65 65 ASP CB C 40.196 0.400 1 910 65 65 ASP HB2 H 2.714 0.020 2 911 65 65 ASP HB3 H 2.641 0.020 2 912 65 65 ASP C C 179.095 0.400 1 913 66 66 LYS N N 119.343 0.400 1 914 66 66 LYS H H 7.802 0.020 1 915 66 66 LYS CA C 58.429 0.400 1 916 66 66 LYS HA H 4.078 0.020 1 917 66 66 LYS CB C 31.727 0.400 1 918 66 66 LYS HB2 H 1.766 0.020 2 919 66 66 LYS HB3 H 1.861 0.020 2 920 66 66 LYS CG C 24.579 0.400 1 921 66 66 LYS HG2 H 1.491 0.020 2 922 66 66 LYS HG3 H 1.493 0.020 2 923 66 66 LYS CD C 27.818 0.400 1 924 66 66 LYS HD2 H 1.601 0.020 2 925 66 66 LYS HD3 H 1.701 0.020 2 926 66 66 LYS CE C 41.800 0.400 1 927 66 66 LYS HE2 H 2.895 0.020 2 928 66 66 LYS HE3 H 2.901 0.020 2 929 66 66 LYS C C 178.624 0.400 1 930 67 67 ALA N N 121.562 0.400 1 931 67 67 ALA H H 8.480 0.020 1 932 67 67 ALA CA C 55.403 0.400 1 933 67 67 ALA HA H 3.853 0.020 1 934 67 67 ALA CB C 17.793 0.400 1 935 67 67 ALA HB1 H 1.336 0.020 1 936 67 67 ALA HB2 H 1.336 0.020 1 937 67 67 ALA HB3 H 1.336 0.020 1 938 67 67 ALA C C 178.591 0.400 1 939 68 68 LYS N N 116.165 0.400 1 940 68 68 LYS H H 8.186 0.020 1 941 68 68 LYS CA C 59.952 0.400 1 942 68 68 LYS HA H 3.805 0.020 1 943 68 68 LYS CB C 32.181 0.400 1 944 68 68 LYS HB2 H 1.838 0.020 2 945 68 68 LYS HB3 H 1.871 0.020 2 946 68 68 LYS CG C 25.261 0.400 1 947 68 68 LYS HG2 H 1.642 0.020 2 948 68 68 LYS HG3 H 1.348 0.020 2 949 68 68 LYS CD C 29.516 0.400 1 950 68 68 LYS HD2 H 1.652 0.020 1 951 68 68 LYS HD3 H 1.651 0.020 1 952 68 68 LYS CE C 41.800 0.400 1 953 68 68 LYS HE2 H 2.910 0.020 2 954 68 68 LYS HE3 H 2.908 0.020 2 955 68 68 LYS C C 179.095 0.400 1 956 69 69 GLU N N 119.489 0.400 1 957 69 69 GLU H H 7.904 0.020 1 958 69 69 GLU CA C 59.022 0.400 1 959 69 69 GLU HA H 3.995 0.020 1 960 69 69 GLU CB C 29.274 0.400 1 961 69 69 GLU HB2 H 2.126 0.020 1 962 69 69 GLU HB3 H 2.126 0.020 1 963 69 69 GLU CG C 35.908 0.400 1 964 69 69 GLU HG2 H 2.126 0.020 2 965 69 69 GLU HG3 H 2.340 0.020 2 966 69 69 GLU C C 179.079 0.400 1 967 70 70 LEU N N 119.431 0.400 1 968 70 70 LEU H H 7.962 0.020 1 969 70 70 LEU CA C 57.486 0.400 1 970 70 70 LEU HA H 4.020 0.020 1 971 70 70 LEU CB C 41.695 0.400 1 972 70 70 LEU HB2 H 1.368 0.020 2 973 70 70 LEU HB3 H 1.715 0.020 2 974 70 70 LEU CG C 27.000 0.400 1 975 70 70 LEU HG H 1.698 0.020 1 976 70 70 LEU CD1 C 25.210 0.400 1 977 70 70 LEU HD11 H 0.815 0.020 2 978 70 70 LEU HD12 H 0.815 0.020 2 979 70 70 LEU HD13 H 0.815 0.020 2 980 70 70 LEU CD2 C 24.200 0.400 1 981 70 70 LEU HD21 H 0.807 0.020 2 982 70 70 LEU HD22 H 0.807 0.020 2 983 70 70 LEU HD23 H 0.807 0.020 2 984 70 70 LEU C C 178.738 0.400 1 985 71 71 ALA N N 119.604 0.400 1 986 71 71 ALA H H 8.260 0.020 1 987 71 71 ALA CA C 55.139 0.400 1 988 71 71 ALA HA H 3.845 0.020 1 989 71 71 ALA CB C 18.487 0.400 1 990 71 71 ALA HB1 H 1.410 0.020 1 991 71 71 ALA HB2 H 1.410 0.020 1 992 71 71 ALA HB3 H 1.410 0.020 1 993 71 71 ALA C C 179.518 0.400 1 994 72 72 GLN N N 115.960 0.400 1 995 72 72 GLN H H 7.910 0.020 1 996 72 72 GLN CA C 58.194 0.400 1 997 72 72 GLN HA H 4.154 0.020 1 998 72 72 GLN CB C 28.056 0.400 1 999 72 72 GLN HB2 H 2.163 0.020 2 1000 72 72 GLN HB3 H 2.235 0.020 2 1001 72 72 GLN CG C 33.994 0.400 1 1002 72 72 GLN HG2 H 2.424 0.020 2 1003 72 72 GLN HG3 H 2.537 0.020 2 1004 72 72 GLN NE2 N 111.529 0.400 1 1005 72 72 GLN HE21 H 6.852 0.020 2 1006 72 72 GLN HE22 H 7.439 0.020 2 1007 72 72 GLN C C 178.900 0.400 1 1008 73 73 LYS N N 119.027 0.400 1 1009 73 73 LYS H H 7.841 0.020 1 1010 73 73 LYS CA C 57.867 0.400 1 1011 73 73 LYS HA H 4.171 0.020 1 1012 73 73 LYS CB C 32.277 0.400 1 1013 73 73 LYS HB2 H 1.957 0.020 1 1014 73 73 LYS HB3 H 1.956 0.020 1 1015 73 73 LYS CG C 25.000 0.400 1 1016 73 73 LYS HG2 H 1.492 0.020 2 1017 73 73 LYS HG3 H 1.598 0.020 2 1018 73 73 LYS CD C 28.900 0.400 1 1019 73 73 LYS HD2 H 1.667 0.020 2 1020 73 73 LYS HD3 H 1.665 0.020 2 1021 73 73 LYS CE C 41.800 0.400 1 1022 73 73 LYS HE2 H 2.951 0.020 2 1023 73 73 LYS HE3 H 2.946 0.020 2 1024 73 73 LYS C C 177.730 0.400 1 1025 74 74 MET N N 115.786 0.400 1 1026 74 74 MET H H 7.746 0.020 1 1027 74 74 MET CA C 55.194 0.400 1 1028 74 74 MET HA H 4.403 0.020 1 1029 74 74 MET CB C 33.366 0.400 1 1030 74 74 MET HB2 H 2.062 0.020 2 1031 74 74 MET HB3 H 1.962 0.020 2 1032 74 74 MET CG C 33.037 0.400 1 1033 74 74 MET HG2 H 2.527 0.020 2 1034 74 74 MET HG3 H 2.623 0.020 2 1035 74 74 MET CE C 17.280 0.400 1 1036 74 74 MET HE1 H 2.001 0.020 1 1037 74 74 MET HE2 H 2.001 0.020 1 1038 74 74 MET HE3 H 2.001 0.020 1 1039 74 74 MET C C 174.416 0.400 1 1040 75 75 GLU N N 116.249 0.400 1 1041 75 75 GLU H H 8.076 0.020 1 1042 75 75 GLU CA C 56.722 0.400 1 1043 75 75 GLU HA H 4.001 0.020 1 1044 75 75 GLU CB C 27.118 0.400 1 1045 75 75 GLU HB2 H 2.135 0.020 2 1046 75 75 GLU HB3 H 2.189 0.020 2 1047 75 75 GLU CG C 36.706 0.400 1 1048 75 75 GLU HG2 H 2.172 0.020 2 1049 75 75 GLU HG3 H 2.174 0.020 2 1050 75 75 GLU C C 175.130 0.400 1 1051 76 76 ILE N N 115.960 0.400 1 1052 76 76 ILE H H 7.560 0.020 1 1053 76 76 ILE CA C 58.475 0.400 1 1054 76 76 ILE HA H 4.428 0.020 1 1055 76 76 ILE CB C 40.337 0.400 1 1056 76 76 ILE HB H 1.644 0.020 1 1057 76 76 ILE CG2 C 17.574 0.400 1 1058 76 76 ILE HG21 H 0.883 0.020 1 1059 76 76 ILE HG22 H 0.883 0.020 1 1060 76 76 ILE HG23 H 0.883 0.020 1 1061 76 76 ILE CG1 C 26.748 0.400 1 1062 76 76 ILE HG12 H 1.089 0.020 2 1063 76 76 ILE HG13 H 1.436 0.020 2 1064 76 76 ILE CD1 C 13.653 0.400 1 1065 76 76 ILE HD11 H 0.800 0.020 1 1066 76 76 ILE HD12 H 0.800 0.020 1 1067 76 76 ILE HD13 H 0.800 0.020 1 1068 76 76 ILE C C 174.529 0.400 1 1069 77 77 ASP N N 126.142 0.400 1 1070 77 77 ASP H H 8.889 0.020 1 1071 77 77 ASP CA C 54.069 0.400 1 1072 77 77 ASP HA H 4.569 0.020 1 1073 77 77 ASP CB C 40.233 0.400 1 1074 77 77 ASP HB2 H 3.208 0.020 2 1075 77 77 ASP HB3 H 2.635 0.020 2 1076 77 77 ASP C C 174.123 0.400 1 1077 78 78 VAL N N 122.844 0.400 1 1078 78 78 VAL H H 7.754 0.020 1 1079 78 78 VAL CA C 58.804 0.400 1 1080 78 78 VAL HA H 5.192 0.020 1 1081 78 78 VAL CB C 35.293 0.400 1 1082 78 78 VAL HB H 1.780 0.020 1 1083 78 78 VAL CG1 C 21.237 0.400 1 1084 78 78 VAL HG11 H 0.745 0.020 2 1085 78 78 VAL HG12 H 0.745 0.020 2 1086 78 78 VAL HG13 H 0.745 0.020 2 1087 78 78 VAL CG2 C 21.097 0.400 1 1088 78 78 VAL HG21 H 0.721 0.020 2 1089 78 78 VAL HG22 H 0.721 0.020 2 1090 78 78 VAL HG23 H 0.721 0.020 2 1091 78 78 VAL C C 174.968 0.400 1 1092 79 79 ARG N N 125.637 0.400 1 1093 79 79 ARG H H 8.499 0.020 1 1094 79 79 ARG CA C 54.117 0.400 1 1095 79 79 ARG HA H 4.712 0.020 1 1096 79 79 ARG CB C 31.196 0.400 1 1097 79 79 ARG HB2 H 1.600 0.020 2 1098 79 79 ARG HB3 H 1.654 0.020 2 1099 79 79 ARG CG C 26.759 0.400 1 1100 79 79 ARG HG2 H 1.534 0.020 1 1101 79 79 ARG HG3 H 1.535 0.020 1 1102 79 79 ARG CD C 43.086 0.400 1 1103 79 79 ARG HD2 H 3.071 0.020 2 1104 79 79 ARG HD3 H 3.073 0.020 2 1105 79 79 ARG C C 174.221 0.400 1 1106 80 80 THR N N 118.084 0.400 1 1107 80 80 THR H H 8.416 0.020 1 1108 80 80 THR CA C 59.694 0.400 1 1109 80 80 THR HA H 5.332 0.020 1 1110 80 80 THR CB C 69.772 0.400 1 1111 80 80 THR HB H 3.679 0.020 1 1112 80 80 THR CG2 C 22.134 0.400 1 1113 80 80 THR HG21 H 0.981 0.020 1 1114 80 80 THR HG22 H 0.981 0.020 1 1115 80 80 THR HG23 H 0.981 0.020 1 1116 80 80 THR C C 174.497 0.400 1 1117 81 81 ARG N N 122.844 0.400 1 1118 81 81 ARG H H 8.758 0.020 1 1119 81 81 ARG CA C 53.273 0.400 1 1120 81 81 ARG HA H 4.362 0.020 1 1121 81 81 ARG CB C 33.915 0.400 1 1122 81 81 ARG HB2 H 0.933 0.020 2 1123 81 81 ARG HB3 H 1.058 0.020 2 1124 81 81 ARG CG C 25.882 0.400 1 1125 81 81 ARG HG2 H 0.428 0.020 2 1126 81 81 ARG HG3 H 0.739 0.020 2 1127 81 81 ARG CD C 42.208 0.400 1 1128 81 81 ARG HD2 H 1.725 0.020 2 1129 81 81 ARG HD3 H 2.308 0.020 2 1130 81 81 ARG NE N 83.710 0.400 1 1131 81 81 ARG HE H 5.835 0.020 1 1132 81 81 ARG C C 173.733 0.400 1 1133 82 82 LYS N N 124.668 0.400 1 1134 82 82 LYS H H 8.721 0.020 1 1135 82 82 LYS CA C 54.960 0.400 1 1136 82 82 LYS HA H 4.701 0.020 1 1137 82 82 LYS CB C 32.603 0.400 1 1138 82 82 LYS HB2 H 1.342 0.020 2 1139 82 82 LYS HB3 H 1.764 0.020 2 1140 82 82 LYS CG C 25.000 0.400 1 1141 82 82 LYS HG2 H 1.063 0.020 2 1142 82 82 LYS HG3 H 1.137 0.020 2 1143 82 82 LYS CD C 28.900 0.400 1 1144 82 82 LYS HD2 H 1.459 0.020 2 1145 82 82 LYS HD3 H 1.566 0.020 2 1146 82 82 LYS CE C 41.510 0.400 1 1147 82 82 LYS HE2 H 2.738 0.020 2 1148 82 82 LYS HE3 H 2.855 0.020 2 1149 82 82 LYS C C 175.667 0.400 1 1150 83 83 VAL N N 122.381 0.400 1 1151 83 83 VAL H H 9.112 0.020 1 1152 83 83 VAL CA C 59.413 0.400 1 1153 83 83 VAL HA H 4.796 0.020 1 1154 83 83 VAL CB C 35.298 0.400 1 1155 83 83 VAL HB H 2.112 0.020 1 1156 83 83 VAL CG1 C 23.611 0.400 1 1157 83 83 VAL HG11 H 1.011 0.020 2 1158 83 83 VAL HG12 H 1.011 0.020 2 1159 83 83 VAL HG13 H 1.011 0.020 2 1160 83 83 VAL CG2 C 21.211 0.400 1 1161 83 83 VAL HG21 H 0.964 0.020 2 1162 83 83 VAL HG22 H 0.964 0.020 2 1163 83 83 VAL HG23 H 0.964 0.020 2 1164 83 83 VAL C C 174.594 0.400 1 1165 84 84 THR N N 113.183 0.400 1 1166 84 84 THR H H 9.200 0.020 1 1167 84 84 THR CA C 60.960 0.400 1 1168 84 84 THR HA H 4.579 0.020 1 1169 84 84 THR CB C 70.100 0.400 1 1170 84 84 THR HB H 4.440 0.020 1 1171 84 84 THR CG2 C 21.000 0.400 1 1172 84 84 THR HG21 H 1.242 0.020 1 1173 84 84 THR HG22 H 1.242 0.020 1 1174 84 84 THR HG23 H 1.242 0.020 1 1175 84 84 THR C C 173.993 0.400 1 1176 85 85 SER N N 115.555 0.400 1 1177 85 85 SER H H 7.688 0.020 1 1178 85 85 SER CA C 55.205 0.400 1 1179 85 85 SER HA H 5.136 0.020 1 1180 85 85 SER CB C 64.376 0.400 1 1181 85 85 SER HB2 H 3.902 0.020 2 1182 85 85 SER HB3 H 4.190 0.020 2 1183 86 86 PRO CD C 50.674 0.400 1 1184 86 86 PRO CA C 65.038 0.400 1 1185 86 86 PRO HA H 4.090 0.020 1 1186 86 86 PRO CB C 31.711 0.400 1 1187 86 86 PRO HB2 H 2.119 0.020 2 1188 86 86 PRO HB3 H 2.104 0.020 2 1189 86 86 PRO CG C 27.300 0.400 1 1190 86 86 PRO HG2 H 1.692 0.020 2 1191 86 86 PRO HG3 H 2.195 0.020 2 1192 86 86 PRO HD2 H 3.977 0.020 1 1193 86 86 PRO HD3 H 3.976 0.020 1 1194 86 86 PRO C C 177.227 0.400 1 1195 87 87 ASP N N 115.381 0.400 1 1196 87 87 ASP H H 8.131 0.020 1 1197 87 87 ASP CA C 57.311 0.400 1 1198 87 87 ASP HA H 4.223 0.020 1 1199 87 87 ASP CB C 40.102 0.400 1 1200 87 87 ASP HB2 H 2.497 0.020 1 1201 87 87 ASP HB3 H 2.497 0.020 1 1202 87 87 ASP C C 178.721 0.400 1 1203 88 88 GLU N N 120.009 0.400 1 1204 88 88 GLU H H 7.571 0.020 1 1205 88 88 GLU CA C 58.729 0.400 1 1206 88 88 GLU HA H 3.659 0.020 1 1207 88 88 GLU CB C 30.052 0.400 1 1208 88 88 GLU HB2 H 1.809 0.020 2 1209 88 88 GLU HB3 H 2.077 0.020 2 1210 88 88 GLU CG C 36.785 0.400 1 1211 88 88 GLU HG2 H 2.141 0.020 2 1212 88 88 GLU HG3 H 1.943 0.020 2 1213 88 88 GLU C C 177.097 0.400 1 1214 89 89 ALA N N 118.873 0.400 1 1215 89 89 ALA H H 7.423 0.020 1 1216 89 89 ALA CA C 55.607 0.400 1 1217 89 89 ALA HA H 3.900 0.020 1 1218 89 89 ALA CB C 17.348 0.400 1 1219 89 89 ALA HB1 H 1.338 0.020 1 1220 89 89 ALA HB2 H 1.338 0.020 1 1221 89 89 ALA HB3 H 1.338 0.020 1 1222 89 89 ALA C C 178.267 0.400 1 1223 90 90 LYS N N 114.834 0.400 1 1224 90 90 LYS H H 8.046 0.020 1 1225 90 90 LYS CA C 60.351 0.400 1 1226 90 90 LYS HA H 3.669 0.020 1 1227 90 90 LYS CB C 32.087 0.400 1 1228 90 90 LYS HB2 H 1.812 0.020 2 1229 90 90 LYS HB3 H 1.834 0.020 2 1230 90 90 LYS CG C 25.289 0.400 1 1231 90 90 LYS HG2 H 1.286 0.020 2 1232 90 90 LYS HG3 H 1.584 0.020 2 1233 90 90 LYS CD C 29.437 0.400 1 1234 90 90 LYS HD2 H 1.739 0.020 2 1235 90 90 LYS HD3 H 1.696 0.020 2 1236 90 90 LYS CE C 41.800 0.400 1 1237 90 90 LYS HE2 H 2.811 0.020 2 1238 90 90 LYS HE3 H 2.936 0.020 2 1239 90 90 LYS C C 177.649 0.400 1 1240 91 91 ARG N N 119.029 0.400 1 1241 91 91 ARG H H 7.468 0.020 1 1242 91 91 ARG CA C 59.164 0.400 1 1243 91 91 ARG HA H 3.887 0.020 1 1244 91 91 ARG CB C 29.274 0.400 1 1245 91 91 ARG HB2 H 1.486 0.020 2 1246 91 91 ARG HB3 H 1.682 0.020 2 1247 91 91 ARG CG C 26.796 0.400 1 1248 91 91 ARG HG2 H 1.078 0.020 2 1249 91 91 ARG HG3 H 1.452 0.020 2 1250 91 91 ARG CD C 43.245 0.400 1 1251 91 91 ARG HD2 H 2.486 0.020 2 1252 91 91 ARG HD3 H 2.662 0.020 2 1253 91 91 ARG NE N 84.684 0.400 1 1254 91 91 ARG HE H 6.997 0.020 1 1255 91 91 ARG C C 178.998 0.400 1 1256 92 92 TRP N N 118.100 0.400 1 1257 92 92 TRP H H 8.136 0.020 1 1258 92 92 TRP CA C 58.663 0.400 1 1259 92 92 TRP HA H 4.818 0.020 1 1260 92 92 TRP CB C 29.790 0.400 1 1261 92 92 TRP HB2 H 3.100 0.020 2 1262 92 92 TRP HB3 H 3.195 0.020 2 1263 92 92 TRP CD1 C 127.008 0.400 1 1264 92 92 TRP CE3 C 120.385 0.400 1 1265 92 92 TRP NE1 N 128.245 0.400 1 1266 92 92 TRP HD1 H 6.870 0.020 1 1267 92 92 TRP HE3 H 7.429 0.020 1 1268 92 92 TRP CZ3 C 122.231 0.400 1 1269 92 92 TRP CZ2 C 114.465 0.400 1 1270 92 92 TRP HE1 H 10.293 0.020 1 1271 92 92 TRP HZ3 H 7.065 0.020 1 1272 92 92 TRP CH2 C 124.546 0.400 1 1273 92 92 TRP HZ2 H 7.489 0.020 1 1274 92 92 TRP HH2 H 7.239 0.020 1 1275 92 92 TRP C C 179.566 0.400 1 1276 93 93 ILE N N 120.588 0.400 1 1277 93 93 ILE H H 8.363 0.020 1 1278 93 93 ILE CA C 66.225 0.400 1 1279 93 93 ILE HA H 3.544 0.020 1 1280 93 93 ILE CB C 37.571 0.400 1 1281 93 93 ILE HB H 1.803 0.020 1 1282 93 93 ILE CG2 C 17.000 0.400 1 1283 93 93 ILE HG21 H 0.750 0.020 1 1284 93 93 ILE HG22 H 0.750 0.020 1 1285 93 93 ILE HG23 H 0.750 0.020 1 1286 93 93 ILE CG1 C 30.815 0.400 1 1287 93 93 ILE HG12 H 2.037 0.020 2 1288 93 93 ILE HG13 H 0.743 0.020 2 1289 93 93 ILE CD1 C 14.136 0.400 1 1290 93 93 ILE HD11 H 0.769 0.020 1 1291 93 93 ILE HD12 H 0.769 0.020 1 1292 93 93 ILE HD13 H 0.769 0.020 1 1293 93 93 ILE C C 176.820 0.400 1 1294 94 94 LYS N N 121.687 0.400 1 1295 94 94 LYS H H 8.264 0.020 1 1296 94 94 LYS CA C 59.889 0.400 1 1297 94 94 LYS HA H 3.865 0.020 1 1298 94 94 LYS CB C 32.225 0.400 1 1299 94 94 LYS HB2 H 1.922 0.020 2 1300 94 94 LYS HB3 H 2.022 0.020 2 1301 94 94 LYS CG C 24.572 0.400 1 1302 94 94 LYS HG2 H 1.338 0.020 2 1303 94 94 LYS HG3 H 1.380 0.020 2 1304 94 94 LYS CD C 29.357 0.400 1 1305 94 94 LYS HD2 H 1.624 0.020 2 1306 94 94 LYS HD3 H 1.598 0.020 2 1307 94 94 LYS CE C 41.800 0.400 1 1308 94 94 LYS HE2 H 2.920 0.020 2 1309 94 94 LYS HE3 H 2.911 0.020 2 1310 94 94 LYS C C 179.258 0.400 1 1311 95 95 GLU N N 118.505 0.400 1 1312 95 95 GLU H H 8.360 0.020 1 1313 95 95 GLU CA C 59.366 0.400 1 1314 95 95 GLU HA H 4.023 0.020 1 1315 95 95 GLU CB C 29.508 0.400 1 1316 95 95 GLU HB2 H 2.204 0.020 2 1317 95 95 GLU HB3 H 2.158 0.020 2 1318 95 95 GLU CG C 36.466 0.400 1 1319 95 95 GLU HG2 H 2.271 0.020 2 1320 95 95 GLU HG3 H 2.525 0.020 2 1321 95 95 GLU C C 178.884 0.400 1 1322 96 96 PHE N N 120.369 0.400 1 1323 96 96 PHE H H 8.212 0.020 1 1324 96 96 PHE CA C 59.608 0.400 1 1325 96 96 PHE HA H 4.512 0.020 1 1326 96 96 PHE CB C 40.431 0.400 1 1327 96 96 PHE HB2 H 3.098 0.020 2 1328 96 96 PHE HB3 H 3.469 0.020 2 1329 96 96 PHE CD1 C 131.423 0.400 1 1330 96 96 PHE HD1 H 7.032 0.020 1 1331 96 96 PHE CE1 C 131.337 0.400 1 1332 96 96 PHE HE1 H 6.958 0.020 1 1333 96 96 PHE CZ C 130.946 0.400 1 1334 96 96 PHE HZ H 7.064 0.020 1 1335 96 96 PHE CE2 C 131.395 0.400 1 1336 96 96 PHE HE2 H 6.958 0.020 1 1337 96 96 PHE CD2 C 131.423 0.400 1 1338 96 96 PHE HD2 H 7.032 0.020 1 1339 96 96 PHE C C 176.820 0.400 1 1340 97 97 SER N N 111.969 0.400 1 1341 97 97 SER H H 8.216 0.020 1 1342 97 97 SER CA C 60.492 0.400 1 1343 97 97 SER HA H 3.816 0.020 1 1344 97 97 SER CB C 63.022 0.400 1 1345 97 97 SER HB2 H 3.949 0.020 2 1346 97 97 SER HB3 H 3.984 0.020 2 1347 97 97 SER C C 175.618 0.400 1 1348 98 98 GLU N N 120.588 0.400 1 1349 98 98 GLU H H 7.655 0.020 1 1350 98 98 GLU CA C 57.069 0.400 1 1351 98 98 GLU HA H 4.187 0.020 1 1352 98 98 GLU CB C 29.321 0.400 1 1353 98 98 GLU HB2 H 2.044 0.020 1 1354 98 98 GLU HB3 H 2.043 0.020 1 1355 98 98 GLU CG C 36.000 0.400 1 1356 98 98 GLU HG2 H 2.215 0.020 2 1357 98 98 GLU HG3 H 2.473 0.020 2 1358 98 98 GLU C C 177.698 0.400 1 1359 99 99 GLU N N 120.067 0.400 1 1360 99 99 GLU H H 7.794 0.020 1 1361 99 99 GLU CA C 57.304 0.400 1 1362 99 99 GLU HA H 4.123 0.020 1 1363 99 99 GLU CB C 29.368 0.400 1 1364 99 99 GLU HB2 H 2.043 0.020 2 1365 99 99 GLU HB3 H 2.037 0.020 2 1366 99 99 GLU CG C 36.000 0.400 1 1367 99 99 GLU HG2 H 2.221 0.020 2 1368 99 99 GLU HG3 H 2.438 0.020 2 1369 99 99 GLU C C 177.665 0.400 1 1370 100 100 GLY N N 107.802 0.400 1 1371 100 100 GLY H H 8.138 0.020 1 1372 100 100 GLY CA C 45.305 0.400 1 1373 100 100 GLY HA2 H 3.865 0.020 2 1374 100 100 GLY HA3 H 3.715 0.020 2 1375 100 100 GLY C C 174.464 0.400 1 1376 101 101 GLY N N 108.032 0.400 1 1377 101 101 GLY H H 8.023 0.020 1 1378 101 101 GLY CA C 45.036 0.400 1 1379 101 101 GLY HA2 H 3.865 0.020 2 1380 101 101 GLY HA3 H 3.892 0.020 2 1381 101 101 GLY C C 174.204 0.400 1 1382 102 102 SER N N 115.266 0.400 1 1383 102 102 SER H H 8.059 0.020 1 1384 102 102 SER CA C 58.194 0.400 1 1385 102 102 SER HA H 4.380 0.020 1 1386 102 102 SER CB C 63.538 0.400 1 1387 102 102 SER HB2 H 3.893 0.020 2 1388 102 102 SER HB3 H 3.810 0.020 2 1389 102 102 SER C C 174.627 0.400 1 1390 103 103 LEU N N 123.596 0.400 1 1391 103 103 LEU H H 8.287 0.020 1 1392 103 103 LEU CA C 55.007 0.400 1 1393 103 103 LEU HA H 4.301 0.020 1 1394 103 103 LEU CB C 42.023 0.400 1 1395 103 103 LEU HB2 H 1.585 0.020 2 1396 103 103 LEU HB3 H 1.523 0.020 2 1397 103 103 LEU CG C 27.000 0.400 1 1398 103 103 LEU HG H 1.582 0.020 1 1399 103 103 LEU CD1 C 25.073 0.400 1 1400 103 103 LEU HD11 H 0.864 0.020 2 1401 103 103 LEU HD12 H 0.864 0.020 2 1402 103 103 LEU HD13 H 0.864 0.020 2 1403 103 103 LEU CD2 C 23.170 0.400 1 1404 103 103 LEU HD21 H 0.826 0.020 2 1405 103 103 LEU HD22 H 0.826 0.020 2 1406 103 103 LEU HD23 H 0.826 0.020 2 1407 103 103 LEU C C 177.292 0.400 1 1408 104 104 GLU N N 120.510 0.400 1 1409 104 104 GLU H H 8.216 0.020 1 1410 104 104 GLU CA C 56.518 0.400 1 1411 104 104 GLU HA H 4.126 0.020 1 1412 104 104 GLU CB C 29.837 0.400 1 1413 104 104 GLU HB2 H 1.809 0.020 2 1414 104 104 GLU HB3 H 1.870 0.020 2 1415 104 104 GLU CG C 35.783 0.400 1 1416 104 104 GLU HG2 H 2.147 0.020 2 1417 104 104 GLU HG3 H 2.097 0.020 2 1418 105 105 HIS CA C 55.536 0.400 1 1419 105 105 HIS HA H 4.593 0.020 1 1420 105 105 HIS CB C 30.001 0.400 1 1421 105 105 HIS HB2 H 3.124 0.020 2 1422 105 105 HIS HB3 H 3.064 0.020 2 1423 105 105 HIS C C 173.766 0.400 1 1424 106 106 HIS N N 125.332 0.400 1 1425 106 106 HIS H H 8.154 0.020 1 1426 106 106 HIS CA C 56.920 0.400 1 1427 106 106 HIS HA H 4.407 0.020 1 1428 106 106 HIS CB C 30.001 0.400 1 1429 106 106 HIS HB2 H 3.184 0.020 2 1430 106 106 HIS HB3 H 3.053 0.020 2 stop_ save_