save_polymer _Saveframe_category monomeric_polymer ############################## # Polymer residue sequence # ############################## _Residue_count 134 _Mol_residue_sequence ; MKILILINTNNDELIKKIKK EVENQGYQVRDVNDSDELKK EMKKLAEEKNFEKILIISND KQLLKEMLELISKLGYKVFL LLQDQDENELEEFKRKIESQ GYEVRKVTDDEEALKIVREF MQKAGSLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 LYS 3 3 ILE 4 4 LEU 6 6 LEU 7 7 ILE 8 8 ASN 9 9 THR 11 11 ASN 12 12 ASP 13 13 GLU 14 14 LEU 16 16 LYS 17 17 LYS 18 18 ILE 19 19 LYS 21 21 GLU 22 22 VAL 23 23 GLU 24 24 ASN 26 26 GLY 27 27 TYR 28 28 GLN 29 29 VAL 31 31 ASP 32 32 VAL 33 33 ASN 34 34 ASP 36 36 ASP 37 37 GLU 38 38 LEU 39 39 LYS 41 41 GLU 42 42 MET 43 43 LYS 44 44 LYS 46 46 ALA 47 47 GLU 48 48 GLU 49 49 LYS 51 51 PHE 52 52 GLU 53 53 LYS 54 54 ILE 56 56 ILE 57 57 ILE 58 58 SER 59 59 ASN 61 61 LYS 62 62 GLN 63 63 LEU 64 64 LEU 66 66 GLU 67 67 MET 68 68 LEU 69 69 GLU 71 71 ILE 72 72 SER 73 73 LYS 74 74 LEU 76 76 TYR 77 77 LYS 78 78 VAL 79 79 PHE 81 81 LEU 82 82 LEU 83 83 GLN 84 84 ASP 86 86 ASP 87 87 GLU 88 88 ASN 89 89 GLU 91 91 GLU 92 92 GLU 93 93 PHE 94 94 LYS 96 96 LYS 97 97 ILE 98 98 GLU 99 99 SER 101 101 GLY 102 102 TYR 103 103 GLU 104 104 VAL 106 106 LYS 107 107 VAL 108 108 THR 109 109 ASP 111 111 GLU 112 112 GLU 113 113 ALA 114 114 LEU 116 116 ILE 117 117 VAL 118 118 ARG 119 119 GLU 121 121 MET 122 122 GLN 123 123 LYS 124 124 ALA 126 126 SER 127 127 LEU 128 128 GLU 129 129 HIS 131 131 HIS 132 132 HIS 133 133 HIS 134 134 HIS 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 CA C 54.500 0.400 1 2 1 1 MET HA H 4.118 0.020 1 3 1 1 MET CB C 33.173 0.400 1 4 1 1 MET HB2 H 2.030 0.020 2 5 1 1 MET HB3 H 2.198 0.020 2 6 1 1 MET CG C 30.985 0.400 1 7 1 1 MET HG2 H 2.429 0.020 2 8 1 1 MET HG3 H 2.602 0.020 2 9 2 2 LYS CG C 25.517 0.400 1 10 2 2 LYS HG2 H 1.068 0.020 2 11 2 2 LYS HG3 H 1.035 0.020 2 12 2 2 LYS CD C 28.798 0.400 1 13 2 2 LYS HD2 H 1.261 0.020 2 14 2 2 LYS HD3 H 0.960 0.020 2 15 2 2 LYS CE C 42.469 0.400 1 16 2 2 LYS HE2 H 2.758 0.020 2 17 2 2 LYS HE3 H 2.881 0.020 2 18 3 3 ILE H H 8.444 0.020 1 19 3 3 ILE CA C 59.556 0.400 1 20 3 3 ILE HA H 4.826 0.020 1 21 3 3 ILE CB C 40.508 0.400 1 22 3 3 ILE HB H 1.806 0.020 1 23 3 3 ILE HG2 H 1.077 0.020 1 24 3 3 ILE CG2 C 17.852 0.400 1 25 3 3 ILE CG1 C 27.378 0.400 1 26 3 3 ILE HG12 H 1.561 0.020 2 27 3 3 ILE HG13 H 1.222 0.020 2 28 3 3 ILE HD1 H 0.969 0.020 1 29 3 3 ILE CD1 C 13.477 0.400 1 30 3 3 ILE C C 173.405 0.400 1 31 4 4 LEU N N 127.785 0.400 1 32 4 4 LEU H H 9.081 0.020 1 33 4 4 LEU CA C 53.341 0.400 1 34 4 4 LEU HA H 5.459 0.020 1 35 4 4 LEU CB C 45.313 0.400 1 36 4 4 LEU HB2 H 1.437 0.020 2 37 4 4 LEU HB3 H 1.437 0.020 2 38 4 4 LEU CG C 28.192 0.400 1 39 4 4 LEU HG H 1.451 0.020 1 40 4 4 LEU HD1 H 0.642 0.020 1 41 4 4 LEU HD2 H 0.678 0.020 1 42 4 4 LEU CD1 C 25.457 0.400 1 43 4 4 LEU CD2 C 25.983 0.400 1 44 4 4 LEU C C 174.832 0.400 1 45 5 5 ILE N N 123.010 0.400 1 46 5 5 ILE H H 8.765 0.020 1 47 5 5 ILE CA C 60.544 0.400 1 48 5 5 ILE HA H 4.833 0.020 1 49 5 5 ILE CB C 39.532 0.400 1 50 5 5 ILE HB H 1.646 0.020 1 51 5 5 ILE HG2 H 0.841 0.020 1 52 5 5 ILE CG2 C 17.116 0.400 1 53 5 5 ILE CG1 C 27.650 0.400 1 54 5 5 ILE HG12 H 1.807 0.020 2 55 5 5 ILE HG13 H 0.846 0.020 2 56 5 5 ILE HD1 H 0.624 0.020 1 57 5 5 ILE CD1 C 13.410 0.400 1 58 5 5 ILE C C 173.357 0.400 1 59 6 6 LEU N N 129.320 0.400 1 60 6 6 LEU H H 9.235 0.020 1 61 6 6 LEU CA C 53.000 0.400 1 62 6 6 LEU HA H 5.346 0.020 1 63 6 6 LEU CB C 44.528 0.400 1 64 6 6 LEU HB2 H 1.508 0.020 2 65 6 6 LEU HB3 H 1.458 0.020 2 66 6 6 LEU CG C 27.906 0.400 1 67 6 6 LEU HG H 1.520 0.020 1 68 6 6 LEU HD1 H 0.715 0.020 1 69 6 6 LEU HD2 H 0.735 0.020 1 70 6 6 LEU CD1 C 25.511 0.400 1 71 6 6 LEU CD2 C 25.367 0.400 1 72 6 6 LEU C C 174.795 0.400 1 73 7 7 ILE N N 120.746 0.400 1 74 7 7 ILE H H 8.931 0.020 1 75 7 7 ILE CA C 58.215 0.400 1 76 7 7 ILE HA H 5.181 0.020 1 77 7 7 ILE CB C 40.154 0.400 1 78 7 7 ILE HB H 1.892 0.020 1 79 7 7 ILE HG2 H 0.744 0.020 1 80 7 7 ILE CG2 C 16.613 0.400 1 81 7 7 ILE CG1 C 27.098 0.400 1 82 7 7 ILE HG12 H 1.459 0.020 2 83 7 7 ILE HG13 H 1.253 0.020 2 84 7 7 ILE HD1 H 0.767 0.020 1 85 7 7 ILE CD1 C 14.164 0.400 1 86 7 7 ILE C C 173.819 0.400 1 87 8 8 ASN N N 125.539 0.400 1 88 8 8 ASN H H 8.634 0.020 1 89 8 8 ASN CA C 51.104 0.400 1 90 8 8 ASN HA H 5.902 0.020 1 91 8 8 ASN CB C 42.582 0.400 1 92 8 8 ASN HB2 H 2.891 0.020 2 93 8 8 ASN HB3 H 2.273 0.020 2 94 8 8 ASN ND2 N 107.513 0.400 1 95 8 8 ASN HD21 H 7.368 0.020 2 96 8 8 ASN HD22 H 6.251 0.020 2 97 8 8 ASN C C 176.478 0.400 1 98 9 9 THR N N 118.493 0.400 1 99 9 9 THR H H 8.044 0.020 1 100 9 9 THR CA C 60.689 0.400 1 101 9 9 THR HA H 4.739 0.020 1 102 9 9 THR CB C 67.766 0.400 1 103 9 9 THR HB H 4.321 0.020 1 104 9 9 THR HG2 H 0.863 0.020 1 105 9 9 THR HG1 H 6.178 0.020 1 106 9 9 THR CG2 C 19.209 0.400 1 107 9 9 THR C C 170.114 0.400 1 108 10 10 ASN N N 123.266 0.400 1 109 10 10 ASN H H 8.440 0.020 1 110 10 10 ASN CA C 51.844 0.400 1 111 10 10 ASN HA H 4.967 0.020 1 112 10 10 ASN CB C 39.316 0.400 1 113 10 10 ASN HB2 H 2.906 0.020 2 114 10 10 ASN HB3 H 2.817 0.020 2 115 10 10 ASN ND2 N 111.462 0.400 1 116 10 10 ASN HD21 H 7.641 0.020 2 117 10 10 ASN HD22 H 6.927 0.020 2 118 10 10 ASN C C 174.601 0.400 1 119 11 11 ASN N N 120.920 0.400 1 120 11 11 ASN H H 8.366 0.020 1 121 11 11 ASN CA C 52.436 0.400 1 122 11 11 ASN HA H 4.693 0.020 1 123 11 11 ASN CB C 38.349 0.400 1 124 11 11 ASN HB2 H 3.027 0.020 2 125 11 11 ASN HB3 H 2.744 0.020 2 126 11 11 ASN ND2 N 114.074 0.400 1 127 11 11 ASN HD21 H 7.334 0.020 2 128 11 11 ASN HD22 H 7.335 0.020 2 129 11 11 ASN C C 174.333 0.400 1 130 12 12 ASP N N 126.315 0.400 1 131 12 12 ASP H H 8.586 0.020 1 132 12 12 ASP CA C 57.608 0.400 1 133 12 12 ASP HA H 4.273 0.020 1 134 12 12 ASP CB C 41.161 0.400 1 135 12 12 ASP HB2 H 2.642 0.020 2 136 12 12 ASP HB3 H 2.642 0.020 2 137 12 12 ASP C C 178.089 0.400 1 138 13 13 GLU N N 119.325 0.400 1 139 13 13 GLU H H 8.289 0.020 1 140 13 13 GLU CA C 59.006 0.400 1 141 13 13 GLU HA H 4.026 0.020 1 142 13 13 GLU CB C 28.709 0.400 1 143 13 13 GLU HB2 H 2.064 0.020 2 144 13 13 GLU HB3 H 2.160 0.020 2 145 13 13 GLU CG C 36.010 0.400 1 146 13 13 GLU HG2 H 2.361 0.020 2 147 13 13 GLU HG3 H 2.310 0.020 2 148 13 13 GLU C C 178.893 0.400 1 149 14 14 LEU N N 121.683 0.400 1 150 14 14 LEU H H 7.577 0.020 1 151 14 14 LEU CA C 57.261 0.400 1 152 14 14 LEU HA H 3.985 0.020 1 153 14 14 LEU CB C 40.105 0.400 1 154 14 14 LEU HB2 H 1.823 0.020 2 155 14 14 LEU HB3 H 1.498 0.020 2 156 14 14 LEU CG C 27.050 0.400 1 157 14 14 LEU HG H 1.378 0.020 1 158 14 14 LEU HD1 H 0.859 0.020 1 159 14 14 LEU HD2 H 0.763 0.020 1 160 14 14 LEU CD1 C 22.485 0.400 1 161 14 14 LEU CD2 C 24.529 0.400 1 162 14 14 LEU C C 178.309 0.400 1 163 15 15 ILE N N 119.483 0.400 1 164 15 15 ILE H H 8.238 0.020 1 165 15 15 ILE CA C 66.590 0.400 1 166 15 15 ILE HA H 3.219 0.020 1 167 15 15 ILE CB C 37.424 0.400 1 168 15 15 ILE HB H 1.915 0.020 1 169 15 15 ILE HG2 H 0.847 0.020 1 170 15 15 ILE CG2 C 17.078 0.400 1 171 15 15 ILE CG1 C 30.331 0.400 1 172 15 15 ILE HG12 H 1.726 0.020 2 173 15 15 ILE HG13 H 0.636 0.020 2 174 15 15 ILE HD1 H 0.764 0.020 1 175 15 15 ILE CD1 C 13.066 0.400 1 176 15 15 ILE C C 177.138 0.400 1 177 16 16 LYS N N 117.596 0.400 1 178 16 16 LYS H H 7.604 0.020 1 179 16 16 LYS CA C 60.169 0.400 1 180 16 16 LYS HA H 3.843 0.020 1 181 16 16 LYS CB C 32.164 0.400 1 182 16 16 LYS HB2 H 1.880 0.020 2 183 16 16 LYS HB3 H 1.881 0.020 2 184 16 16 LYS CG C 25.305 0.400 1 185 16 16 LYS HG2 H 1.627 0.020 2 186 16 16 LYS HG3 H 1.396 0.020 2 187 16 16 LYS CD C 29.236 0.400 1 188 16 16 LYS HD2 H 1.685 0.020 2 189 16 16 LYS HD3 H 1.688 0.020 2 190 16 16 LYS CE C 41.780 0.400 1 191 16 16 LYS HE2 H 2.910 0.020 2 192 16 16 LYS HE3 H 2.910 0.020 2 193 16 16 LYS C C 179.577 0.400 1 194 17 17 LYS N N 118.832 0.400 1 195 17 17 LYS H H 7.583 0.020 1 196 17 17 LYS CA C 59.840 0.400 1 197 17 17 LYS HA H 3.992 0.020 1 198 17 17 LYS CB C 33.065 0.400 1 199 17 17 LYS HB2 H 1.993 0.020 2 200 17 17 LYS HB3 H 1.922 0.020 2 201 17 17 LYS CG C 25.822 0.400 1 202 17 17 LYS HG2 H 1.755 0.020 2 203 17 17 LYS HG3 H 1.429 0.020 2 204 17 17 LYS CD C 29.705 0.400 1 205 17 17 LYS HD2 H 1.680 0.020 2 206 17 17 LYS HD3 H 1.517 0.020 2 207 17 17 LYS CE C 41.780 0.400 1 208 17 17 LYS HE2 H 2.848 0.020 2 209 17 17 LYS HE3 H 2.900 0.020 2 210 17 17 LYS C C 179.380 0.400 1 211 18 18 ILE N N 120.961 0.400 1 212 18 18 ILE H H 8.785 0.020 1 213 18 18 ILE CA C 65.474 0.400 1 214 18 18 ILE HA H 3.372 0.020 1 215 18 18 ILE CB C 37.556 0.400 1 216 18 18 ILE HB H 1.821 0.020 1 217 18 18 ILE HG2 H 0.718 0.020 1 218 18 18 ILE CG2 C 17.360 0.400 1 219 18 18 ILE CG1 C 29.494 0.400 1 220 18 18 ILE HG12 H 1.765 0.020 2 221 18 18 ILE HG13 H 0.729 0.020 2 222 18 18 ILE HD1 H 0.613 0.020 1 223 18 18 ILE CD1 C 13.410 0.400 1 224 18 18 ILE C C 176.967 0.400 1 225 19 19 LYS N N 118.324 0.400 1 226 19 19 LYS H H 8.532 0.020 1 227 19 19 LYS CA C 60.853 0.400 1 228 19 19 LYS HA H 3.680 0.020 1 229 19 19 LYS CB C 32.326 0.400 1 230 19 19 LYS HB2 H 1.788 0.020 2 231 19 19 LYS HB3 H 1.834 0.020 2 232 19 19 LYS CG C 27.091 0.400 1 233 19 19 LYS HG2 H 1.098 0.020 2 234 19 19 LYS HG3 H 1.596 0.020 2 235 19 19 LYS CD C 29.871 0.400 1 236 19 19 LYS HD2 H 1.594 0.020 2 237 19 19 LYS HD3 H 1.594 0.020 2 238 19 19 LYS CE C 41.780 0.400 1 239 19 19 LYS HE2 H 2.699 0.020 2 240 19 19 LYS HE3 H 2.699 0.020 2 241 19 19 LYS C C 177.746 0.400 1 242 20 20 LYS N N 116.284 0.400 1 243 20 20 LYS H H 7.303 0.020 1 244 20 20 LYS CA C 58.539 0.400 1 245 20 20 LYS HA H 4.087 0.020 1 246 20 20 LYS CB C 31.981 0.400 1 247 20 20 LYS HB2 H 1.890 0.020 2 248 20 20 LYS HB3 H 1.890 0.020 2 249 20 20 LYS CG C 24.444 0.400 1 250 20 20 LYS HG2 H 1.506 0.020 2 251 20 20 LYS HG3 H 1.476 0.020 2 252 20 20 LYS CD C 28.780 0.400 1 253 20 20 LYS HD2 H 1.687 0.020 2 254 20 20 LYS HD3 H 1.686 0.020 2 255 20 20 LYS CE C 41.780 0.400 1 256 20 20 LYS HE2 H 2.964 0.020 2 257 20 20 LYS HE3 H 2.964 0.020 2 258 20 20 LYS C C 178.406 0.400 1 259 21 21 GLU N N 118.488 0.400 1 260 21 21 GLU H H 7.665 0.020 1 261 21 21 GLU CA C 58.894 0.400 1 262 21 21 GLU HA H 3.963 0.020 1 263 21 21 GLU CB C 29.434 0.400 1 264 21 21 GLU HB2 H 2.116 0.020 2 265 21 21 GLU HB3 H 1.973 0.020 2 266 21 21 GLU CG C 35.314 0.400 1 267 21 21 GLU HG2 H 2.106 0.020 2 268 21 21 GLU HG3 H 2.104 0.020 2 269 21 21 GLU C C 179.088 0.400 1 270 22 22 VAL N N 109.032 0.400 1 271 22 22 VAL H H 8.037 0.020 1 272 22 22 VAL CA C 62.799 0.400 1 273 22 22 VAL HA H 4.132 0.020 1 274 22 22 VAL CB C 29.829 0.400 1 275 22 22 VAL HB H 1.984 0.020 1 276 22 22 VAL HG1 H 0.638 0.020 1 277 22 22 VAL HG2 H 0.854 0.020 1 278 22 22 VAL CG1 C 20.110 0.400 1 279 22 22 VAL CG2 C 19.942 0.400 1 280 24 24 ASN CA C 58.808 0.400 1 281 24 24 ASN HA H 4.717 0.020 1 282 24 24 ASN CB C 38.171 0.400 1 283 24 24 ASN HB2 H 2.967 0.020 2 284 24 24 ASN HB3 H 2.967 0.020 2 285 24 24 ASN ND2 N 112.830 0.400 1 286 24 24 ASN HD21 H 7.693 0.020 2 287 24 24 ASN HD22 H 6.941 0.020 2 288 25 25 GLN HA H 4.646 0.020 1 289 25 25 GLN CB C 29.018 0.400 1 290 25 25 GLN HB2 H 2.021 0.020 2 291 25 25 GLN HB3 H 2.815 0.020 2 292 25 25 GLN CG C 33.393 0.400 1 293 25 25 GLN HG2 H 2.383 0.020 2 294 25 25 GLN HG3 H 2.518 0.020 2 295 25 25 GLN NE2 N 112.873 0.400 1 296 25 25 GLN HE21 H 7.563 0.020 2 297 25 25 GLN HE22 H 6.876 0.020 2 298 25 25 GLN C C 175.692 0.400 1 299 26 26 GLY N N 106.368 0.400 1 300 26 26 GLY H H 8.020 0.020 1 301 26 26 GLY CA C 45.957 0.400 1 302 26 26 GLY HA2 H 3.815 0.020 2 303 26 26 GLY HA3 H 4.126 0.020 2 304 26 26 GLY C C 174.382 0.400 1 305 27 27 TYR N N 119.082 0.400 1 306 27 27 TYR H H 7.845 0.020 1 307 27 27 TYR CA C 58.054 0.400 1 308 27 27 TYR HA H 4.433 0.020 1 309 27 27 TYR CB C 39.005 0.400 1 310 27 27 TYR HB2 H 2.663 0.020 2 311 27 27 TYR HB3 H 2.372 0.020 2 312 27 27 TYR CD1 C 132.650 0.400 1 313 27 27 TYR HD1 H 6.787 0.020 1 314 27 27 TYR CE1 C 117.793 0.400 1 315 27 27 TYR HE1 H 6.586 0.020 1 316 27 27 TYR CE2 C 117.910 0.400 1 317 27 27 TYR HE2 H 6.586 0.020 1 318 27 27 TYR CD2 C 132.816 0.400 1 319 27 27 TYR HD2 H 6.787 0.020 1 320 27 27 TYR C C 174.528 0.400 1 321 28 28 GLN N N 120.362 0.400 1 322 28 28 GLN H H 8.338 0.020 1 323 28 28 GLN CA C 54.380 0.400 1 324 28 28 GLN HA H 4.499 0.020 1 325 28 28 GLN CB C 30.455 0.400 1 326 28 28 GLN HB2 H 2.062 0.020 2 327 28 28 GLN HB3 H 1.783 0.020 2 328 28 28 GLN CG C 33.720 0.400 1 329 28 28 GLN HG2 H 2.239 0.020 2 330 28 28 GLN HG3 H 2.202 0.020 2 331 28 28 GLN NE2 N 113.892 0.400 1 332 28 28 GLN HE21 H 7.522 0.020 2 333 28 28 GLN HE22 H 7.013 0.020 2 334 28 28 GLN C C 174.625 0.400 1 335 29 29 VAL N N 123.482 0.400 1 336 29 29 VAL H H 8.776 0.020 1 337 29 29 VAL CA C 61.488 0.400 1 338 29 29 VAL HA H 5.043 0.020 1 339 29 29 VAL CB C 32.473 0.400 1 340 29 29 VAL HB H 1.953 0.020 1 341 29 29 VAL HG1 H 0.800 0.020 1 342 29 29 VAL HG2 H 0.896 0.020 1 343 29 29 VAL CG1 C 21.461 0.400 1 344 29 29 VAL CG2 C 21.871 0.400 1 345 29 29 VAL C C 175.820 0.400 1 346 30 30 ARG N N 127.787 0.400 1 347 30 30 ARG H H 9.135 0.020 1 348 30 30 ARG CA C 53.788 0.400 1 349 30 30 ARG HA H 4.740 0.020 1 350 30 30 ARG CB C 32.391 0.400 1 351 30 30 ARG HB2 H 1.654 0.020 2 352 30 30 ARG HB3 H 1.514 0.020 2 353 30 30 ARG CG C 26.702 0.400 1 354 30 30 ARG HG2 H 1.497 0.020 2 355 30 30 ARG HG3 H 1.452 0.020 2 356 30 30 ARG CD C 42.856 0.400 1 357 30 30 ARG HD2 H 3.333 0.020 2 358 30 30 ARG HD3 H 2.933 0.020 2 359 30 30 ARG C C 173.332 0.400 1 360 31 31 ASP N N 121.895 0.400 1 361 31 31 ASP H H 8.377 0.020 1 362 31 31 ASP CA C 53.370 0.400 1 363 31 31 ASP HA H 5.210 0.020 1 364 31 31 ASP CB C 42.722 0.400 1 365 31 31 ASP HB2 H 2.467 0.020 2 366 31 31 ASP HB3 H 2.468 0.020 2 367 31 31 ASP C C 175.282 0.400 1 368 32 32 VAL N N 120.426 0.400 1 369 32 32 VAL H H 8.441 0.020 1 370 32 32 VAL CA C 61.557 0.400 1 371 32 32 VAL HA H 4.248 0.020 1 372 32 32 VAL CB C 33.884 0.400 1 373 32 32 VAL HB H 1.776 0.020 1 374 32 32 VAL HG1 H 0.867 0.020 1 375 32 32 VAL HG2 H 0.763 0.020 1 376 32 32 VAL CG1 C 21.735 0.400 1 377 32 32 VAL CG2 C 21.142 0.400 1 378 32 32 VAL C C 174.114 0.400 1 379 33 33 ASN N N 122.700 0.400 1 380 33 33 ASN H H 9.550 0.020 1 381 33 33 ASN CA C 53.396 0.400 1 382 33 33 ASN HA H 4.977 0.020 1 383 33 33 ASN CB C 40.869 0.400 1 384 33 33 ASN HB2 H 2.910 0.020 2 385 33 33 ASN HB3 H 2.689 0.020 2 386 33 33 ASN ND2 N 114.609 0.400 1 387 33 33 ASN HD21 H 7.938 0.020 2 388 33 33 ASN HD22 H 7.020 0.020 2 389 33 33 ASN C C 174.235 0.400 1 390 34 34 ASP N N 114.885 0.400 1 391 34 34 ASP H H 7.616 0.020 1 392 34 34 ASP CA C 53.483 0.400 1 393 34 34 ASP HA H 4.703 0.020 1 394 34 34 ASP CB C 42.396 0.400 1 395 34 34 ASP HB2 H 2.909 0.020 2 396 34 34 ASP HB3 H 3.086 0.020 2 397 34 34 ASP C C 175.626 0.400 1 398 35 35 SER N N 114.381 0.400 1 399 35 35 SER H H 8.869 0.020 1 400 35 35 SER CA C 61.446 0.400 1 401 35 35 SER HA H 4.046 0.020 1 402 35 35 SER CB C 62.764 0.400 1 403 35 35 SER HB2 H 3.919 0.020 2 404 35 35 SER HB3 H 3.949 0.020 2 405 35 35 SER C C 175.991 0.400 1 406 36 36 ASP N N 124.695 0.400 1 407 36 36 ASP H H 8.388 0.020 1 408 36 36 ASP CA C 57.668 0.400 1 409 36 36 ASP HA H 4.519 0.020 1 410 36 36 ASP CB C 40.284 0.400 1 411 36 36 ASP HB2 H 2.842 0.020 2 412 36 36 ASP HB3 H 2.662 0.020 2 413 36 36 ASP C C 179.136 0.400 1 414 37 37 GLU N N 122.449 0.400 1 415 37 37 GLU H H 9.009 0.020 1 416 37 37 GLU CA C 59.209 0.400 1 417 37 37 GLU HA H 4.059 0.020 1 418 37 37 GLU CB C 29.721 0.400 1 419 37 37 GLU HB2 H 2.269 0.020 2 420 37 37 GLU HB3 H 2.175 0.020 2 421 37 37 GLU CG C 36.545 0.400 1 422 37 37 GLU HG2 H 2.442 0.020 2 423 37 37 GLU HG3 H 2.728 0.020 2 424 37 37 GLU C C 178.698 0.400 1 425 38 38 LEU N N 119.580 0.400 1 426 38 38 LEU H H 8.203 0.020 1 427 38 38 LEU CA C 59.133 0.400 1 428 38 38 LEU HA H 3.911 0.020 1 429 38 38 LEU CB C 41.069 0.400 1 430 38 38 LEU HB2 H 2.114 0.020 2 431 38 38 LEU HB3 H 1.461 0.020 2 432 38 38 LEU CG C 27.177 0.400 1 433 38 38 LEU HG H 1.521 0.020 1 434 38 38 LEU HD1 H 0.962 0.020 1 435 38 38 LEU HD2 H 0.889 0.020 1 436 38 38 LEU CD1 C 25.761 0.400 1 437 38 38 LEU CD2 C 25.562 0.400 1 438 38 38 LEU C C 177.649 0.400 1 439 39 39 LYS N N 118.404 0.400 1 440 39 39 LYS H H 7.829 0.020 1 441 39 39 LYS CA C 59.866 0.400 1 442 39 39 LYS HA H 3.841 0.020 1 443 39 39 LYS CB C 32.048 0.400 1 444 39 39 LYS HB2 H 1.934 0.020 2 445 39 39 LYS HB3 H 1.948 0.020 2 446 39 39 LYS CG C 25.419 0.400 1 447 39 39 LYS HG2 H 1.457 0.020 2 448 39 39 LYS HG3 H 1.698 0.020 2 449 39 39 LYS CD C 29.306 0.400 1 450 39 39 LYS HD2 H 1.705 0.020 2 451 39 39 LYS HD3 H 1.704 0.020 2 452 39 39 LYS CE C 41.780 0.400 1 453 39 39 LYS HE2 H 2.979 0.020 2 454 39 39 LYS HE3 H 2.981 0.020 2 455 39 39 LYS C C 179.577 0.400 1 456 40 40 LYS N N 119.271 0.400 1 457 40 40 LYS H H 7.779 0.020 1 458 40 40 LYS CA C 59.590 0.400 1 459 40 40 LYS HA H 4.022 0.020 1 460 40 40 LYS CB C 32.400 0.400 1 461 40 40 LYS HB2 H 1.990 0.020 2 462 40 40 LYS HB3 H 1.945 0.020 2 463 40 40 LYS CG C 24.982 0.400 1 464 40 40 LYS HG2 H 1.379 0.020 2 465 40 40 LYS HG3 H 1.620 0.020 2 466 40 40 LYS CD C 29.333 0.400 1 467 40 40 LYS HD2 H 1.681 0.020 2 468 40 40 LYS HD3 H 1.680 0.020 2 469 40 40 LYS CE C 41.780 0.400 1 470 40 40 LYS HE2 H 2.968 0.020 2 471 40 40 LYS HE3 H 2.966 0.020 2 472 40 40 LYS C C 179.577 0.400 1 473 41 41 GLU N N 119.647 0.400 1 474 41 41 GLU H H 8.721 0.020 1 475 41 41 GLU CA C 58.074 0.400 1 476 41 41 GLU HA H 4.263 0.020 1 477 41 41 GLU CB C 28.246 0.400 1 478 41 41 GLU HB2 H 1.950 0.020 2 479 41 41 GLU HB3 H 1.949 0.020 2 480 41 41 GLU CG C 34.904 0.400 1 481 41 41 GLU HG2 H 2.133 0.020 2 482 41 41 GLU HG3 H 2.459 0.020 2 483 41 41 GLU C C 179.504 0.400 1 484 42 42 MET N N 118.114 0.400 1 485 42 42 MET H H 8.779 0.020 1 486 42 42 MET CA C 57.054 0.400 1 487 42 42 MET HA H 4.383 0.020 1 488 42 42 MET CB C 31.254 0.400 1 489 42 42 MET HB2 H 2.191 0.020 2 490 42 42 MET HB3 H 1.950 0.020 2 491 42 42 MET CG C 32.468 0.400 1 492 42 42 MET HG2 H 2.656 0.020 2 493 42 42 MET HG3 H 2.761 0.020 2 494 42 42 MET HE H 1.866 0.020 1 495 42 42 MET CE C 17.857 0.400 1 496 42 42 MET C C 179.185 0.400 1 497 43 43 LYS N N 120.740 0.400 1 498 43 43 LYS H H 7.499 0.020 1 499 43 43 LYS CA C 59.390 0.400 1 500 43 43 LYS HA H 4.088 0.020 1 501 43 43 LYS CB C 31.962 0.400 1 502 43 43 LYS HB2 H 1.907 0.020 2 503 43 43 LYS HB3 H 1.901 0.020 2 504 43 43 LYS CG C 24.910 0.400 1 505 43 43 LYS HG2 H 1.513 0.020 2 506 43 43 LYS HG3 H 1.370 0.020 2 507 43 43 LYS CD C 28.780 0.400 1 508 43 43 LYS HD2 H 1.678 0.020 2 509 43 43 LYS HD3 H 1.683 0.020 2 510 43 43 LYS CE C 41.780 0.400 1 511 43 43 LYS HE2 H 2.980 0.020 2 512 43 43 LYS HE3 H 2.975 0.020 2 513 43 43 LYS C C 178.187 0.400 1 514 44 44 LYS N N 118.269 0.400 1 515 44 44 LYS H H 7.445 0.020 1 516 44 44 LYS CA C 59.500 0.400 1 517 44 44 LYS HA H 4.061 0.020 1 518 44 44 LYS CB C 32.070 0.400 1 519 44 44 LYS HB2 H 1.911 0.020 2 520 44 44 LYS HB3 H 1.906 0.020 2 521 44 44 LYS CG C 24.910 0.400 1 522 44 44 LYS HG2 H 1.582 0.020 2 523 44 44 LYS HG3 H 1.438 0.020 2 524 44 44 LYS CD C 29.133 0.400 1 525 44 44 LYS HD2 H 1.700 0.020 2 526 44 44 LYS HD3 H 1.702 0.020 2 527 44 44 LYS CE C 41.780 0.400 1 528 44 44 LYS HE2 H 2.930 0.020 2 529 44 44 LYS HE3 H 2.930 0.020 2 530 44 44 LYS C C 179.601 0.400 1 531 45 45 LEU N N 117.785 0.400 1 532 45 45 LEU H H 8.161 0.020 1 533 45 45 LEU CA C 57.187 0.400 1 534 45 45 LEU HA H 4.148 0.020 1 535 45 45 LEU CB C 41.773 0.400 1 536 45 45 LEU HB2 H 1.904 0.020 2 537 45 45 LEU HB3 H 1.486 0.020 2 538 45 45 LEU CG C 26.770 0.400 1 539 45 45 LEU HG H 1.882 0.020 1 540 45 45 LEU HD1 H 0.754 0.020 1 541 45 45 LEU HD2 H 0.725 0.020 1 542 45 45 LEU CD1 C 25.491 0.400 1 543 45 45 LEU CD2 C 23.696 0.400 1 544 45 45 LEU C C 178.357 0.400 1 545 46 46 ALA N N 118.538 0.400 1 546 46 46 ALA H H 7.637 0.020 1 547 46 46 ALA CA C 53.672 0.400 1 548 46 46 ALA HA H 4.252 0.020 1 549 46 46 ALA HB H 1.550 0.020 1 550 46 46 ALA CB C 18.882 0.400 1 551 46 46 ALA C C 178.893 0.400 1 552 47 47 GLU N N 115.492 0.400 1 553 47 47 GLU H H 7.713 0.020 1 554 47 47 GLU CA C 56.931 0.400 1 555 47 47 GLU HA H 4.250 0.020 1 556 47 47 GLU CB C 30.417 0.400 1 557 47 47 GLU HB2 H 2.056 0.020 2 558 47 47 GLU HB3 H 2.110 0.020 2 559 47 47 GLU CG C 36.271 0.400 1 560 47 47 GLU HG2 H 2.295 0.020 2 561 47 47 GLU HG3 H 2.500 0.020 2 562 47 47 GLU C C 176.478 0.400 1 563 48 48 GLU N N 120.573 0.400 1 564 48 48 GLU H H 7.748 0.020 1 565 48 48 GLU CA C 56.021 0.400 1 566 48 48 GLU HA H 4.373 0.020 1 567 48 48 GLU CB C 29.910 0.400 1 568 48 48 GLU HB2 H 2.040 0.020 2 569 48 48 GLU HB3 H 2.040 0.020 2 570 48 48 GLU CG C 36.010 0.400 1 571 48 48 GLU HG2 H 2.202 0.020 2 572 48 48 GLU HG3 H 2.319 0.020 2 573 48 48 GLU C C 173.624 0.400 1 574 49 49 LYS N N 124.420 0.400 1 575 49 49 LYS H H 8.607 0.020 1 576 49 49 LYS CA C 56.517 0.400 1 577 49 49 LYS HA H 4.318 0.020 1 578 49 49 LYS CB C 32.462 0.400 1 579 49 49 LYS HB2 H 1.899 0.020 2 580 49 49 LYS HB3 H 1.755 0.020 2 581 49 49 LYS CG C 24.653 0.400 1 582 49 49 LYS HG2 H 1.458 0.020 2 583 49 49 LYS HG3 H 1.458 0.020 2 584 49 49 LYS CD C 28.780 0.400 1 585 49 49 LYS HD2 H 1.653 0.020 2 586 49 49 LYS HD3 H 1.653 0.020 2 587 49 49 LYS CE C 41.780 0.400 1 588 49 49 LYS HE2 H 3.015 0.020 2 589 49 49 LYS HE3 H 3.015 0.020 2 590 49 49 LYS C C 176.843 0.400 1 591 50 50 ASN N N 117.993 0.400 1 592 50 50 ASN H H 8.723 0.020 1 593 50 50 ASN CA C 53.555 0.400 1 594 50 50 ASN HA H 4.624 0.020 1 595 50 50 ASN CB C 39.036 0.400 1 596 50 50 ASN HB2 H 2.706 0.020 2 597 50 50 ASN HB3 H 2.707 0.020 2 598 50 50 ASN ND2 N 113.384 0.400 1 599 50 50 ASN HD21 H 7.633 0.020 2 600 50 50 ASN HD22 H 6.878 0.020 2 601 50 50 ASN C C 176.454 0.400 1 602 51 51 PHE N N 120.700 0.400 1 603 51 51 PHE H H 8.341 0.020 1 604 51 51 PHE CA C 57.935 0.400 1 605 51 51 PHE HA H 4.758 0.020 1 606 51 51 PHE CB C 38.975 0.400 1 607 51 51 PHE HB2 H 3.027 0.020 2 608 51 51 PHE HB3 H 2.967 0.020 2 609 51 51 PHE CD1 C 131.731 0.400 1 610 51 51 PHE HD1 H 7.124 0.020 1 611 51 51 PHE CD2 C 131.836 0.400 1 612 51 51 PHE HD2 H 7.124 0.020 1 613 52 52 GLU CA C 56.254 0.400 1 614 52 52 GLU HA H 4.258 0.020 1 615 52 52 GLU CB C 33.459 0.400 1 616 52 52 GLU HB2 H 1.656 0.020 2 617 52 52 GLU HB3 H 1.952 0.020 2 618 52 52 GLU CG C 36.666 0.400 1 619 52 52 GLU HG2 H 2.100 0.020 2 620 52 52 GLU HG3 H 2.044 0.020 2 621 52 52 GLU C C 173.600 0.400 1 622 53 53 LYS N N 119.964 0.400 1 623 53 53 LYS H H 7.962 0.020 1 624 53 53 LYS CA C 55.356 0.400 1 625 53 53 LYS HA H 4.689 0.020 1 626 53 53 LYS CB C 31.445 0.400 1 627 53 53 LYS HB2 H 0.111 0.020 2 628 53 53 LYS HB3 H 1.130 0.020 2 629 53 53 LYS CG C 24.593 0.400 1 630 53 53 LYS HG2 H 1.087 0.020 2 631 53 53 LYS HG3 H 0.935 0.020 2 632 53 53 LYS CD C 28.780 0.400 1 633 53 53 LYS HD2 H 1.480 0.020 2 634 53 53 LYS HD3 H 1.268 0.020 2 635 53 53 LYS CE C 41.700 0.400 1 636 53 53 LYS HE2 H 2.628 0.020 2 637 53 53 LYS HE3 H 2.717 0.020 2 638 53 53 LYS C C 174.430 0.400 1 639 54 54 ILE N N 124.730 0.400 1 640 54 54 ILE H H 8.804 0.020 1 641 54 54 ILE CA C 59.264 0.400 1 642 54 54 ILE HA H 4.846 0.020 1 643 54 54 ILE CB C 41.953 0.400 1 644 54 54 ILE HB H 1.681 0.020 1 645 54 54 ILE HG2 H 0.746 0.020 1 646 54 54 ILE CG2 C 17.835 0.400 1 647 54 54 ILE CG1 C 27.420 0.400 1 648 54 54 ILE HG12 H 1.249 0.020 2 649 54 54 ILE HG13 H 0.911 0.020 2 650 54 54 ILE HD1 H 0.635 0.020 1 651 54 54 ILE CD1 C 13.410 0.400 1 652 54 54 ILE C C 173.089 0.400 1 653 55 55 LEU N N 130.086 0.400 1 654 55 55 LEU H H 9.103 0.020 1 655 55 55 LEU CA C 53.502 0.400 1 656 55 55 LEU HA H 5.641 0.020 1 657 55 55 LEU CB C 45.202 0.400 1 658 55 55 LEU HB2 H 1.761 0.020 2 659 55 55 LEU HB3 H 1.320 0.020 2 660 55 55 LEU CG C 27.373 0.400 1 661 55 55 LEU HG H 1.566 0.020 1 662 55 55 LEU HD1 H 0.684 0.020 1 663 55 55 LEU HD2 H 0.736 0.020 1 664 55 55 LEU CD1 C 26.265 0.400 1 665 55 55 LEU CD2 C 26.632 0.400 1 666 55 55 LEU C C 174.430 0.400 1 667 56 56 ILE N N 125.983 0.400 1 668 56 56 ILE H H 9.182 0.020 1 669 56 56 ILE CA C 59.110 0.400 1 670 56 56 ILE HA H 5.057 0.020 1 671 56 56 ILE CB C 39.823 0.400 1 672 56 56 ILE HB H 1.688 0.020 1 673 56 56 ILE HG2 H 0.694 0.020 1 674 56 56 ILE CG2 C 17.086 0.400 1 675 56 56 ILE CG1 C 27.650 0.400 1 676 56 56 ILE HG12 H 1.427 0.020 2 677 56 56 ILE HG13 H 0.958 0.020 2 678 56 56 ILE HD1 H 0.661 0.020 1 679 56 56 ILE CD1 C 12.573 0.400 1 680 56 56 ILE C C 174.089 0.400 1 681 57 57 ILE N N 127.241 0.400 1 682 57 57 ILE H H 8.541 0.020 1 683 57 57 ILE CA C 59.255 0.400 1 684 57 57 ILE HA H 4.912 0.020 1 685 57 57 ILE CB C 38.951 0.400 1 686 57 57 ILE HB H 1.823 0.020 1 687 57 57 ILE HG2 H 0.840 0.020 1 688 57 57 ILE CG2 C 17.770 0.400 1 689 57 57 ILE CG1 C 27.650 0.400 1 690 57 57 ILE HG12 H 1.460 0.020 2 691 57 57 ILE HG13 H 0.859 0.020 2 692 57 57 ILE HD1 H 0.707 0.020 1 693 57 57 ILE CD1 C 13.942 0.400 1 694 57 57 ILE C C 174.869 0.400 1 695 58 58 SER N N 119.270 0.400 1 696 58 58 SER H H 8.810 0.020 1 697 58 58 SER CA C 56.727 0.400 1 698 58 58 SER HA H 5.007 0.020 1 699 58 58 SER CB C 66.615 0.400 1 700 58 58 SER HB2 H 3.780 0.020 2 701 58 58 SER HB3 H 3.419 0.020 2 702 58 58 SER HG H 5.092 0.020 1 703 58 58 SER C C 174.211 0.400 1 704 59 59 ASN N N 122.382 0.400 1 705 59 59 ASN H H 8.794 0.020 1 706 59 59 ASN CA C 52.507 0.400 1 707 59 59 ASN HA H 4.711 0.020 1 708 59 59 ASN CB C 38.962 0.400 1 709 59 59 ASN HB2 H 3.007 0.020 2 710 59 59 ASN HB3 H 2.870 0.020 2 711 59 59 ASN ND2 N 109.566 0.400 1 712 59 59 ASN HD21 H 7.523 0.020 2 713 59 59 ASN HD22 H 6.755 0.020 2 714 59 59 ASN C C 174.795 0.400 1 715 60 60 ASP N N 119.744 0.400 1 716 60 60 ASP H H 7.857 0.020 1 717 60 60 ASP CA C 53.097 0.400 1 718 60 60 ASP HA H 4.863 0.020 1 719 60 60 ASP CB C 42.949 0.400 1 720 60 60 ASP HB2 H 2.735 0.020 2 721 60 60 ASP HB3 H 2.568 0.020 2 722 60 60 ASP C C 176.015 0.400 1 723 61 61 LYS N N 125.818 0.400 1 724 61 61 LYS H H 8.904 0.020 1 725 61 61 LYS CA C 59.632 0.400 1 726 61 61 LYS HA H 3.722 0.020 1 727 61 61 LYS CB C 31.518 0.400 1 728 61 61 LYS HB2 H 1.517 0.020 2 729 61 61 LYS HB3 H 1.432 0.020 2 730 61 61 LYS CG C 24.910 0.400 1 731 61 61 LYS HG2 H 1.029 0.020 2 732 61 61 LYS HG3 H 1.257 0.020 2 733 61 61 LYS CD C 28.780 0.400 1 734 61 61 LYS HD2 H 1.173 0.020 2 735 61 61 LYS HD3 H 1.096 0.020 2 736 61 61 LYS CE C 41.780 0.400 1 737 61 61 LYS HE2 H 2.686 0.020 2 738 61 61 LYS HE3 H 2.674 0.020 2 739 61 61 LYS C C 177.673 0.400 1 740 62 62 GLN N N 118.918 0.400 1 741 62 62 GLN H H 8.434 0.020 1 742 62 62 GLN CA C 58.301 0.400 1 743 62 62 GLN HA H 4.105 0.020 1 744 62 62 GLN CB C 27.448 0.400 1 745 62 62 GLN HB2 H 2.167 0.020 2 746 62 62 GLN HB3 H 2.167 0.020 2 747 62 62 GLN CG C 33.720 0.400 1 748 62 62 GLN HG2 H 2.413 0.020 2 749 62 62 GLN HG3 H 2.412 0.020 2 750 62 62 GLN NE2 N 112.559 0.400 1 751 62 62 GLN HE21 H 7.847 0.020 2 752 62 62 GLN HE22 H 6.890 0.020 2 753 62 62 GLN C C 178.747 0.400 1 754 63 63 LEU N N 120.071 0.400 1 755 63 63 LEU H H 7.671 0.020 1 756 63 63 LEU CA C 56.643 0.400 1 757 63 63 LEU HA H 4.134 0.020 1 758 63 63 LEU CB C 40.894 0.400 1 759 63 63 LEU HB2 H 1.871 0.020 2 760 63 63 LEU HB3 H 1.426 0.020 2 761 63 63 LEU CG C 26.770 0.400 1 762 63 63 LEU HG H 1.620 0.020 1 763 63 63 LEU HD1 H 0.741 0.020 1 764 63 63 LEU HD2 H 0.709 0.020 1 765 63 63 LEU CD1 C 25.212 0.400 1 766 63 63 LEU CD2 C 22.932 0.400 1 767 63 63 LEU C C 178.552 0.400 1 768 64 64 LEU N N 117.705 0.400 1 769 64 64 LEU H H 7.626 0.020 1 770 64 64 LEU CA C 57.778 0.400 1 771 64 64 LEU HA H 3.907 0.020 1 772 64 64 LEU CB C 41.350 0.400 1 773 64 64 LEU HB2 H 1.789 0.020 2 774 64 64 LEU HB3 H 1.629 0.020 2 775 64 64 LEU CG C 26.770 0.400 1 776 64 64 LEU HG H 1.642 0.020 1 777 64 64 LEU HD1 H 0.814 0.020 1 778 64 64 LEU HD2 H 0.783 0.020 1 779 64 64 LEU CD1 C 24.933 0.400 1 780 64 64 LEU CD2 C 24.573 0.400 1 781 64 64 LEU C C 172.526 0.400 1 782 65 65 LYS N N 118.311 0.400 1 783 65 65 LYS H H 8.038 0.020 1 784 65 65 LYS CA C 60.226 0.400 1 785 65 65 LYS HA H 3.794 0.020 1 786 65 65 LYS CB C 32.266 0.400 1 787 65 65 LYS HB2 H 1.934 0.020 2 788 65 65 LYS HB3 H 1.933 0.020 2 789 65 65 LYS CG C 24.910 0.400 1 790 65 65 LYS HG2 H 1.549 0.020 2 791 65 65 LYS HG3 H 1.344 0.020 2 792 65 65 LYS CD C 29.497 0.400 1 793 65 65 LYS HD2 H 1.654 0.020 2 794 65 65 LYS HD3 H 1.651 0.020 2 795 65 65 LYS CE C 41.780 0.400 1 796 65 65 LYS HE2 H 2.916 0.020 2 797 65 65 LYS HE3 H 2.916 0.020 2 798 65 65 LYS C C 178.479 0.400 1 799 66 66 GLU N N 119.362 0.400 1 800 66 66 GLU H H 7.803 0.020 1 801 66 66 GLU CA C 59.119 0.400 1 802 66 66 GLU HA H 4.026 0.020 1 803 66 66 GLU CB C 29.262 0.400 1 804 66 66 GLU HB2 H 2.040 0.020 2 805 66 66 GLU HB3 H 2.093 0.020 2 806 66 66 GLU CG C 36.010 0.400 1 807 66 66 GLU HG2 H 2.391 0.020 2 808 66 66 GLU HG3 H 2.187 0.020 2 809 66 66 GLU C C 178.893 0.400 1 810 67 67 MET N N 118.398 0.400 1 811 67 67 MET H H 8.394 0.020 1 812 67 67 MET CA C 59.963 0.400 1 813 67 67 MET HA H 3.948 0.020 1 814 67 67 MET CB C 33.443 0.400 1 815 67 67 MET HB2 H 2.203 0.020 2 816 67 67 MET HB3 H 2.049 0.020 2 817 67 67 MET CG C 32.070 0.400 1 818 67 67 MET HG2 H 2.567 0.020 2 819 67 67 MET HG3 H 2.395 0.020 2 820 67 67 MET HE H 1.880 0.020 1 821 67 67 MET CE C 16.759 0.400 1 822 67 67 MET C C 177.527 0.400 1 823 68 68 LEU N N 118.269 0.400 1 824 68 68 LEU H H 8.471 0.020 1 825 68 68 LEU CA C 57.941 0.400 1 826 68 68 LEU HA H 3.779 0.020 1 827 68 68 LEU CB C 40.875 0.400 1 828 68 68 LEU HB2 H 1.747 0.020 2 829 68 68 LEU HB3 H 1.381 0.020 2 830 68 68 LEU CG C 26.447 0.400 1 831 68 68 LEU HG H 1.588 0.020 1 832 68 68 LEU HD1 H 0.507 0.020 1 833 68 68 LEU HD2 H 0.384 0.020 1 834 68 68 LEU CD1 C 25.266 0.400 1 835 68 68 LEU CD2 C 23.070 0.400 1 836 68 68 LEU C C 178.869 0.400 1 837 69 69 GLU N N 118.681 0.400 1 838 69 69 GLU H H 7.627 0.020 1 839 69 69 GLU CA C 59.424 0.400 1 840 69 69 GLU HA H 4.055 0.020 1 841 69 69 GLU CB C 29.140 0.400 1 842 69 69 GLU HB2 H 2.201 0.020 2 843 69 69 GLU HB3 H 2.089 0.020 2 844 69 69 GLU CG C 36.010 0.400 1 845 69 69 GLU HG2 H 2.273 0.020 2 846 69 69 GLU HG3 H 2.437 0.020 2 847 69 69 GLU C C 179.063 0.400 1 848 70 70 LEU N N 119.503 0.400 1 849 70 70 LEU H H 7.717 0.020 1 850 70 70 LEU CA C 57.774 0.400 1 851 70 70 LEU HA H 4.161 0.020 1 852 70 70 LEU CB C 41.944 0.400 1 853 70 70 LEU HB2 H 1.942 0.020 2 854 70 70 LEU HB3 H 1.570 0.020 2 855 70 70 LEU CG C 26.770 0.400 1 856 70 70 LEU HG H 1.848 0.020 1 857 70 70 LEU HD1 H 0.906 0.020 1 858 70 70 LEU HD2 H 0.903 0.020 1 859 70 70 LEU CD1 C 25.175 0.400 1 860 70 70 LEU CD2 C 23.168 0.400 1 861 70 70 LEU C C 179.699 0.400 1 862 71 71 ILE N N 116.791 0.400 1 863 71 71 ILE H H 8.598 0.020 1 864 71 71 ILE CA C 64.242 0.400 1 865 71 71 ILE HA H 3.737 0.020 1 866 71 71 ILE CB C 37.901 0.400 1 867 71 71 ILE HB H 1.896 0.020 1 868 71 71 ILE HG2 H 0.817 0.020 1 869 71 71 ILE CG2 C 18.372 0.400 1 870 71 71 ILE CG1 C 28.690 0.400 1 871 71 71 ILE HG12 H 1.693 0.020 2 872 71 71 ILE HG13 H 1.022 0.020 2 873 71 71 ILE HD1 H 0.654 0.020 1 874 71 71 ILE CD1 C 14.719 0.400 1 875 71 71 ILE C C 178.357 0.400 1 876 72 72 SER N N 116.517 0.400 1 877 72 72 SER H H 8.023 0.020 1 878 72 72 SER CA C 61.365 0.400 1 879 72 72 SER HA H 4.365 0.020 1 880 72 72 SER CB C 62.780 0.400 1 881 72 72 SER HB2 H 4.122 0.020 2 882 72 72 SER HB3 H 4.122 0.020 2 883 72 72 SER C C 176.845 0.400 1 884 73 73 LYS N N 120.731 0.400 1 885 73 73 LYS H H 7.723 0.020 1 886 73 73 LYS CA C 57.476 0.400 1 887 73 73 LYS HA H 4.291 0.020 1 888 73 73 LYS CB C 32.146 0.400 1 889 73 73 LYS HB2 H 1.895 0.020 2 890 73 73 LYS HB3 H 1.894 0.020 2 891 73 73 LYS CG C 24.910 0.400 1 892 73 73 LYS HG2 H 1.597 0.020 2 893 73 73 LYS HG3 H 1.478 0.020 2 894 73 73 LYS CD C 28.780 0.400 1 895 73 73 LYS HD2 H 1.684 0.020 2 896 73 73 LYS HD3 H 1.683 0.020 2 897 73 73 LYS CE C 41.780 0.400 1 898 73 73 LYS HE2 H 2.982 0.020 2 899 73 73 LYS HE3 H 2.977 0.020 2 900 73 73 LYS C C 177.771 0.400 1 901 74 74 LEU N N 117.572 0.400 1 902 74 74 LEU H H 7.609 0.020 1 903 74 74 LEU CA C 55.199 0.400 1 904 74 74 LEU HA H 4.227 0.020 1 905 74 74 LEU CB C 41.486 0.400 1 906 74 74 LEU HB2 H 1.466 0.020 2 907 74 74 LEU HB3 H 1.197 0.020 2 908 74 74 LEU CG C 26.267 0.400 1 909 74 74 LEU HG H 1.703 0.020 1 910 74 74 LEU HD1 H 0.817 0.020 1 911 74 74 LEU HD2 H 0.819 0.020 1 912 74 74 LEU CD1 C 25.818 0.400 1 913 74 74 LEU CD2 C 21.875 0.400 1 914 74 74 LEU C C 177.332 0.400 1 915 75 75 GLY N N 105.991 0.400 1 916 75 75 GLY H H 7.925 0.020 1 917 75 75 GLY CA C 45.842 0.400 1 918 75 75 GLY HA2 H 3.836 0.020 2 919 75 75 GLY HA3 H 4.012 0.020 2 920 75 75 GLY C C 174.771 0.400 1 921 76 76 TYR N N 118.452 0.400 1 922 76 76 TYR H H 7.366 0.020 1 923 76 76 TYR CA C 55.504 0.400 1 924 76 76 TYR HA H 4.778 0.020 1 925 76 76 TYR CB C 37.962 0.400 1 926 76 76 TYR HB2 H 2.664 0.020 2 927 76 76 TYR HB3 H 2.848 0.020 2 928 76 76 TYR CD1 C 132.040 0.400 1 929 76 76 TYR HD1 H 6.856 0.020 1 930 76 76 TYR CE1 C 118.075 0.400 1 931 76 76 TYR HE1 H 6.715 0.020 1 932 76 76 TYR CE2 C 117.910 0.400 1 933 76 76 TYR HE2 H 6.715 0.020 1 934 76 76 TYR CD2 C 132.146 0.400 1 935 76 76 TYR HD2 H 6.856 0.020 1 936 76 76 TYR C C 175.234 0.400 1 937 77 77 LYS N N 122.866 0.400 1 938 77 77 LYS H H 8.290 0.020 1 939 77 77 LYS CA C 55.070 0.400 1 940 77 77 LYS HA H 4.548 0.020 1 941 77 77 LYS CB C 32.217 0.400 1 942 77 77 LYS HB2 H 1.843 0.020 2 943 77 77 LYS HB3 H 1.841 0.020 2 944 77 77 LYS CG C 24.491 0.400 1 945 77 77 LYS HG2 H 1.355 0.020 2 946 77 77 LYS HG3 H 1.171 0.020 2 947 77 77 LYS CD C 28.205 0.400 1 948 77 77 LYS HD2 H 1.624 0.020 2 949 77 77 LYS HD3 H 1.623 0.020 2 950 77 77 LYS CE C 41.931 0.400 1 951 77 77 LYS HE2 H 2.825 0.020 2 952 77 77 LYS HE3 H 2.576 0.020 2 953 77 77 LYS C C 174.138 0.400 1 954 78 78 VAL N N 124.071 0.400 1 955 78 78 VAL H H 7.830 0.020 1 956 78 78 VAL CA C 60.229 0.400 1 957 78 78 VAL HA H 5.166 0.020 1 958 78 78 VAL CB C 34.355 0.400 1 959 78 78 VAL HB H 1.557 0.020 1 960 78 78 VAL HG1 H 0.615 0.020 1 961 78 78 VAL HG2 H 0.725 0.020 1 962 78 78 VAL CG1 C 21.108 0.400 1 963 78 78 VAL CG2 C 22.145 0.400 1 964 78 78 VAL C C 174.162 0.400 1 965 79 79 PHE N N 126.174 0.400 1 966 79 79 PHE H H 8.374 0.020 1 967 79 79 PHE CA C 55.953 0.400 1 968 79 79 PHE HA H 4.567 0.020 1 969 79 79 PHE CB C 40.184 0.400 1 970 79 79 PHE HB2 H 1.042 0.020 2 971 79 79 PHE HB3 H 2.075 0.020 2 972 79 79 PHE CD1 C 131.806 0.400 1 973 79 79 PHE HD1 H 6.720 0.020 1 974 79 79 PHE CE1 C 130.139 0.400 1 975 79 79 PHE HE1 H 7.097 0.020 1 976 79 79 PHE CZ C 128.170 0.400 1 977 79 79 PHE HZ H 6.990 0.020 1 978 79 79 PHE CE2 C 130.226 0.400 1 979 79 79 PHE HE2 H 7.097 0.020 1 980 79 79 PHE CD2 C 131.806 0.400 1 981 79 79 PHE HD2 H 6.720 0.020 1 982 79 79 PHE C C 173.357 0.400 1 983 80 80 LEU N N 123.959 0.400 1 984 80 80 LEU H H 8.601 0.020 1 985 80 80 LEU CA C 53.998 0.400 1 986 80 80 LEU HA H 5.546 0.020 1 987 80 80 LEU CB C 45.667 0.400 1 988 80 80 LEU HB2 H 1.753 0.020 2 989 80 80 LEU HB3 H 1.288 0.020 2 990 80 80 LEU CG C 28.308 0.400 1 991 80 80 LEU HG H 1.441 0.020 1 992 80 80 LEU HD1 H 0.775 0.020 1 993 80 80 LEU HD2 H 0.776 0.020 1 994 80 80 LEU CD1 C 25.505 0.400 1 995 80 80 LEU CD2 C 27.658 0.400 1 996 80 80 LEU C C 173.503 0.400 1 997 81 81 LEU N N 126.694 0.400 1 998 81 81 LEU H H 9.063 0.020 1 999 81 81 LEU CA C 53.064 0.400 1 1000 81 81 LEU HA H 5.269 0.020 1 1001 81 81 LEU CB C 45.777 0.400 1 1002 81 81 LEU HB2 H 1.919 0.020 2 1003 81 81 LEU HB3 H 1.356 0.020 2 1004 81 81 LEU CG C 27.360 0.400 1 1005 81 81 LEU HG H 1.346 0.020 1 1006 81 81 LEU HD1 H 0.789 0.020 1 1007 81 81 LEU HD2 H 0.706 0.020 1 1008 81 81 LEU CD1 C 24.934 0.400 1 1009 81 81 LEU CD2 C 25.856 0.400 1 1010 81 81 LEU C C 173.649 0.400 1 1011 82 82 LEU N N 124.888 0.400 1 1012 82 82 LEU H H 8.864 0.020 1 1013 82 82 LEU CA C 53.135 0.400 1 1014 82 82 LEU HA H 4.911 0.020 1 1015 82 82 LEU CB C 44.222 0.400 1 1016 82 82 LEU HB2 H 1.621 0.020 2 1017 82 82 LEU HB3 H 1.736 0.020 2 1018 82 82 LEU CG C 26.760 0.400 1 1019 82 82 LEU HG H 1.598 0.020 1 1020 82 82 LEU HD1 H 0.778 0.020 1 1021 82 82 LEU HD2 H 0.825 0.020 1 1022 82 82 LEU CD1 C 26.011 0.400 1 1023 82 82 LEU CD2 C 23.860 0.400 1 1024 82 82 LEU C C 174.479 0.400 1 1025 83 83 GLN N N 122.153 0.400 1 1026 83 83 GLN H H 8.437 0.020 1 1027 83 83 GLN CA C 54.586 0.400 1 1028 83 83 GLN HA H 5.260 0.020 1 1029 83 83 GLN CB C 29.870 0.400 1 1030 83 83 GLN HB2 H 2.212 0.020 2 1031 83 83 GLN HB3 H 1.420 0.020 2 1032 83 83 GLN CG C 33.720 0.400 1 1033 83 83 GLN HG2 H 2.336 0.020 2 1034 83 83 GLN HG3 H 2.117 0.020 2 1035 83 83 GLN NE2 N 110.447 0.400 1 1036 83 83 GLN HE21 H 7.201 0.020 2 1037 83 83 GLN HE22 H 7.200 0.020 2 1038 83 83 GLN C C 174.333 0.400 1 1039 84 84 ASP N N 124.451 0.400 1 1040 84 84 ASP H H 8.205 0.020 1 1041 84 84 ASP CA C 54.015 0.400 1 1042 84 84 ASP HA H 4.502 0.020 1 1043 84 84 ASP CB C 43.771 0.400 1 1044 84 84 ASP HB2 H 2.588 0.020 2 1045 84 84 ASP HB3 H 2.664 0.020 2 1046 84 84 ASP C C 174.308 0.400 1 1047 85 85 GLN N N 120.202 0.400 1 1048 85 85 GLN H H 8.617 0.020 1 1049 85 85 GLN CA C 56.595 0.400 1 1050 85 85 GLN HA H 4.334 0.020 1 1051 85 85 GLN CB C 29.334 0.400 1 1052 85 85 GLN HB2 H 2.173 0.020 2 1053 85 85 GLN HB3 H 2.040 0.020 2 1054 85 85 GLN CG C 33.720 0.400 1 1055 85 85 GLN HG2 H 2.407 0.020 2 1056 85 85 GLN HG3 H 2.405 0.020 2 1057 85 85 GLN NE2 N 112.150 0.400 1 1058 85 85 GLN HE21 H 7.624 0.020 2 1059 85 85 GLN HE22 H 6.895 0.020 2 1060 85 85 GLN C C 175.431 0.400 1 1061 86 86 ASP N N 120.508 0.400 1 1062 86 86 ASP H H 8.691 0.020 1 1063 86 86 ASP CA C 53.512 0.400 1 1064 86 86 ASP HA H 4.685 0.020 1 1065 86 86 ASP CB C 40.957 0.400 1 1066 86 86 ASP HB2 H 2.927 0.020 2 1067 86 86 ASP HB3 H 2.566 0.020 2 1068 86 86 ASP C C 175.747 0.400 1 1069 87 87 GLU N N 123.604 0.400 1 1070 87 87 GLU H H 8.642 0.020 1 1071 87 87 GLU CA C 58.522 0.400 1 1072 87 87 GLU HA H 4.035 0.020 1 1073 87 87 GLU CB C 29.575 0.400 1 1074 87 87 GLU HB2 H 2.094 0.020 2 1075 87 87 GLU HB3 H 2.040 0.020 2 1076 87 87 GLU CG C 36.010 0.400 1 1077 87 87 GLU HG2 H 2.295 0.020 2 1078 87 87 GLU HG3 H 2.295 0.020 2 1079 87 87 GLU C C 177.771 0.400 1 1080 88 88 ASN N N 118.838 0.400 1 1081 88 88 ASN H H 8.527 0.020 1 1082 88 88 ASN CA C 55.642 0.400 1 1083 88 88 ASN HA H 4.561 0.020 1 1084 88 88 ASN CB C 38.166 0.400 1 1085 88 88 ASN HB2 H 2.850 0.020 2 1086 88 88 ASN HB3 H 2.905 0.020 2 1087 88 88 ASN ND2 N 114.317 0.400 1 1088 88 88 ASN HD21 H 7.890 0.020 2 1089 88 88 ASN HD22 H 7.028 0.020 2 1090 88 88 ASN C C 177.089 0.400 1 1091 89 89 GLU N N 120.947 0.400 1 1092 89 89 GLU H H 8.221 0.020 1 1093 89 89 GLU CA C 58.251 0.400 1 1094 89 89 GLU HA H 4.147 0.020 1 1095 89 89 GLU CB C 29.244 0.400 1 1096 89 89 GLU HB2 H 2.040 0.020 2 1097 89 89 GLU HB3 H 2.040 0.020 2 1098 89 89 GLU CG C 36.010 0.400 1 1099 89 89 GLU HG2 H 2.263 0.020 2 1100 89 89 GLU HG3 H 2.311 0.020 2 1101 89 89 GLU C C 178.357 0.400 1 1102 90 90 LEU N N 119.582 0.400 1 1103 90 90 LEU H H 8.047 0.020 1 1104 90 90 LEU CA C 56.944 0.400 1 1105 90 90 LEU HA H 4.205 0.020 1 1106 90 90 LEU CB C 42.456 0.400 1 1107 90 90 LEU HB2 H 1.776 0.020 2 1108 90 90 LEU HB3 H 1.722 0.020 2 1109 90 90 LEU CG C 26.770 0.400 1 1110 90 90 LEU HG H 1.639 0.020 1 1111 90 90 LEU HD1 H 0.903 0.020 1 1112 90 90 LEU HD2 H 0.882 0.020 1 1113 90 90 LEU CD1 C 24.861 0.400 1 1114 90 90 LEU CD2 C 24.744 0.400 1 1115 90 90 LEU C C 177.917 0.400 1 1116 91 91 GLU N N 119.029 0.400 1 1117 91 91 GLU H H 7.940 0.020 1 1118 91 91 GLU CA C 59.129 0.400 1 1119 91 91 GLU HA H 4.073 0.020 1 1120 91 91 GLU CB C 28.970 0.400 1 1121 91 91 GLU HB2 H 2.125 0.020 2 1122 91 91 GLU HB3 H 2.069 0.020 2 1123 91 91 GLU CG C 35.054 0.400 1 1124 91 91 GLU HG2 H 2.417 0.020 2 1125 91 91 GLU HG3 H 2.287 0.020 2 1126 91 91 GLU C C 178.284 0.400 1 1127 92 92 GLU N N 118.667 0.400 1 1128 92 92 GLU H H 8.088 0.020 1 1129 92 92 GLU CA C 59.252 0.400 1 1130 92 92 GLU HA H 4.032 0.020 1 1131 92 92 GLU CB C 28.932 0.400 1 1132 92 92 GLU HB2 H 2.053 0.020 2 1133 92 92 GLU HB3 H 2.107 0.020 2 1134 92 92 GLU CG C 36.010 0.400 1 1135 92 92 GLU HG2 H 2.316 0.020 2 1136 92 92 GLU HG3 H 2.265 0.020 2 1137 92 92 GLU C C 178.103 0.400 1 1138 93 93 PHE N N 120.118 0.400 1 1139 93 93 PHE H H 8.103 0.020 1 1140 93 93 PHE CA C 60.445 0.400 1 1141 93 93 PHE HA H 4.340 0.020 1 1142 93 93 PHE CB C 38.987 0.400 1 1143 93 93 PHE HB2 H 3.295 0.020 2 1144 93 93 PHE HB3 H 3.036 0.020 2 1145 93 93 PHE CD1 C 131.517 0.400 1 1146 93 93 PHE HD1 H 7.221 0.020 1 1147 93 93 PHE CE1 C 130.552 0.400 1 1148 93 93 PHE HE1 H 7.136 0.020 1 1149 93 93 PHE CZ C 129.169 0.400 1 1150 93 93 PHE HZ H 7.083 0.020 1 1151 93 93 PHE CE2 C 130.600 0.400 1 1152 93 93 PHE HE2 H 7.136 0.020 1 1153 93 93 PHE CD2 C 131.641 0.400 1 1154 93 93 PHE HD2 H 7.221 0.020 1 1155 93 93 PHE C C 176.894 0.400 1 1156 94 94 LYS N N 118.941 0.400 1 1157 94 94 LYS H H 8.606 0.020 1 1158 94 94 LYS CA C 60.076 0.400 1 1159 94 94 LYS HA H 3.617 0.020 1 1160 94 94 LYS CB C 32.465 0.400 1 1161 94 94 LYS HB2 H 2.070 0.020 2 1162 94 94 LYS HB3 H 1.735 0.020 2 1163 94 94 LYS CG C 24.715 0.400 1 1164 94 94 LYS HG2 H 1.369 0.020 2 1165 94 94 LYS HG3 H 1.321 0.020 2 1166 94 94 LYS CD C 30.102 0.400 1 1167 94 94 LYS HD2 H 1.537 0.020 2 1168 94 94 LYS HD3 H 1.537 0.020 2 1169 94 94 LYS CE C 41.780 0.400 1 1170 94 94 LYS HE2 H 3.019 0.020 2 1171 94 94 LYS HE3 H 2.917 0.020 2 1172 94 94 LYS C C 177.600 0.400 1 1173 95 95 ARG N N 117.194 0.400 1 1174 95 95 ARG H H 8.159 0.020 1 1175 95 95 ARG CA C 59.103 0.400 1 1176 95 95 ARG HA H 4.150 0.020 1 1177 95 95 ARG CB C 29.819 0.400 1 1178 95 95 ARG HB2 H 1.897 0.020 2 1179 95 95 ARG HB3 H 1.970 0.020 2 1180 95 95 ARG CG C 27.310 0.400 1 1181 95 95 ARG HG2 H 1.876 0.020 2 1182 95 95 ARG HG3 H 1.675 0.020 2 1183 95 95 ARG CD C 43.413 0.400 1 1184 95 95 ARG HD2 H 3.222 0.020 2 1185 95 95 ARG HD3 H 3.223 0.020 2 1186 95 95 ARG C C 179.404 0.400 1 1187 96 96 LYS N N 119.582 0.400 1 1188 96 96 LYS H H 7.786 0.020 1 1189 96 96 LYS CA C 58.934 0.400 1 1190 96 96 LYS HA H 4.065 0.020 1 1191 96 96 LYS CB C 32.069 0.400 1 1192 96 96 LYS HB2 H 1.901 0.020 2 1193 96 96 LYS HB3 H 1.971 0.020 2 1194 96 96 LYS CG C 24.910 0.400 1 1195 96 96 LYS HG2 H 1.440 0.020 2 1196 96 96 LYS HG3 H 1.570 0.020 2 1197 96 96 LYS CD C 28.889 0.400 1 1198 96 96 LYS HD2 H 1.680 0.020 2 1199 96 96 LYS HD3 H 1.682 0.020 2 1200 96 96 LYS CE C 41.780 0.400 1 1201 96 96 LYS HE2 H 2.930 0.020 2 1202 96 96 LYS HE3 H 2.930 0.020 2 1203 96 96 LYS C C 179.034 0.400 1 1204 97 97 ILE N N 118.550 0.400 1 1205 97 97 ILE H H 7.831 0.020 1 1206 97 97 ILE CA C 62.569 0.400 1 1207 97 97 ILE HA H 3.938 0.020 1 1208 97 97 ILE CB C 37.206 0.400 1 1209 97 97 ILE HB H 1.808 0.020 1 1210 97 97 ILE HG2 H 0.682 0.020 1 1211 97 97 ILE CG2 C 18.753 0.400 1 1212 97 97 ILE CG1 C 27.265 0.400 1 1213 97 97 ILE HG12 H 1.003 0.020 2 1214 97 97 ILE HG13 H 0.925 0.020 2 1215 97 97 ILE HD1 H 0.363 0.020 1 1216 97 97 ILE CD1 C 11.899 0.400 1 1217 97 97 ILE C C 178.284 0.400 1 1218 98 98 GLU N N 121.984 0.400 1 1219 98 98 GLU H H 8.670 0.020 1 1220 98 98 GLU CA C 58.950 0.400 1 1221 98 98 GLU HA H 4.336 0.020 1 1222 98 98 GLU CB C 29.435 0.400 1 1223 98 98 GLU HB2 H 2.179 0.020 2 1224 98 98 GLU HB3 H 2.053 0.020 2 1225 98 98 GLU CG C 36.433 0.400 1 1226 98 98 GLU HG2 H 2.377 0.020 2 1227 98 98 GLU HG3 H 2.437 0.020 2 1228 98 98 GLU C C 180.040 0.400 1 1229 99 99 SER N N 115.499 0.400 1 1230 99 99 SER H H 8.099 0.020 1 1231 99 99 SER CA C 60.410 0.400 1 1232 99 99 SER HA H 4.343 0.020 1 1233 99 99 SER CB C 62.680 0.400 1 1234 99 99 SER HB2 H 3.996 0.020 2 1235 99 99 SER HB3 H 3.996 0.020 2 1236 99 99 SER C C 174.820 0.400 1 1237 100 100 GLN N N 119.301 0.400 1 1238 100 100 GLN H H 7.623 0.020 1 1239 100 100 GLN CA C 55.926 0.400 1 1240 100 100 GLN HA H 4.310 0.020 1 1241 100 100 GLN CB C 29.212 0.400 1 1242 100 100 GLN HB2 H 2.210 0.020 2 1243 100 100 GLN HB3 H 2.048 0.020 2 1244 100 100 GLN CG C 34.179 0.400 1 1245 100 100 GLN HG2 H 2.441 0.020 2 1246 100 100 GLN HG3 H 2.351 0.020 2 1247 100 100 GLN NE2 N 110.232 0.400 1 1248 100 100 GLN HE21 H 7.286 0.020 2 1249 100 100 GLN HE22 H 6.755 0.020 2 1250 100 100 GLN C C 175.857 0.400 1 1251 101 101 GLY N N 105.765 0.400 1 1252 101 101 GLY H H 7.945 0.020 1 1253 101 101 GLY CA C 45.203 0.400 1 1254 101 101 GLY HA2 H 3.722 0.020 2 1255 101 101 GLY HA3 H 4.009 0.020 2 1256 101 101 GLY C C 173.748 0.400 1 1257 102 102 TYR N N 117.993 0.400 1 1258 102 102 TYR H H 6.890 0.020 1 1259 102 102 TYR CA C 56.254 0.400 1 1260 102 102 TYR HA H 4.672 0.020 1 1261 102 102 TYR CB C 39.048 0.400 1 1262 102 102 TYR HB2 H 2.472 0.020 2 1263 102 102 TYR HB3 H 2.751 0.020 2 1264 102 102 TYR CD1 C 132.425 0.400 1 1265 102 102 TYR HD1 H 6.984 0.020 1 1266 102 102 TYR CE1 C 118.203 0.400 1 1267 102 102 TYR HE1 H 6.716 0.020 1 1268 102 102 TYR CE2 C 118.264 0.400 1 1269 102 102 TYR HE2 H 6.716 0.020 1 1270 102 102 TYR CD2 C 132.425 0.400 1 1271 102 102 TYR HD2 H 6.984 0.020 1 1272 102 102 TYR C C 174.747 0.400 1 1273 103 103 GLU N N 122.864 0.400 1 1274 103 103 GLU H H 8.318 0.020 1 1275 103 103 GLU CA C 56.384 0.400 1 1276 103 103 GLU HA H 4.507 0.020 1 1277 103 103 GLU CB C 30.371 0.400 1 1278 103 103 GLU HB2 H 2.087 0.020 2 1279 103 103 GLU HB3 H 1.987 0.020 2 1280 103 103 GLU CG C 36.249 0.400 1 1281 103 103 GLU HG2 H 2.256 0.020 2 1282 103 103 GLU HG3 H 2.323 0.020 2 1283 103 103 GLU C C 174.162 0.400 1 1284 104 104 VAL N N 124.342 0.400 1 1285 104 104 VAL H H 8.651 0.020 1 1286 104 104 VAL CA C 59.280 0.400 1 1287 104 104 VAL HA H 5.228 0.020 1 1288 104 104 VAL CB C 34.167 0.400 1 1289 104 104 VAL HB H 1.946 0.020 1 1290 104 104 VAL HG1 H 0.929 0.020 1 1291 104 104 VAL HG2 H 0.884 0.020 1 1292 104 104 VAL CG1 C 20.686 0.400 1 1293 104 104 VAL CG2 C 22.008 0.400 1 1294 104 104 VAL C C 174.235 0.400 1 1295 105 105 ARG N N 124.856 0.400 1 1296 105 105 ARG H H 8.705 0.020 1 1297 105 105 ARG CA C 52.465 0.400 1 1298 105 105 ARG HA H 4.915 0.020 1 1299 105 105 ARG CB C 32.955 0.400 1 1300 105 105 ARG HB2 H 1.857 0.020 2 1301 105 105 ARG HB3 H 1.816 0.020 2 1302 105 105 ARG CG C 26.576 0.400 1 1303 105 105 ARG HG2 H 1.805 0.020 2 1304 105 105 ARG HG3 H 1.752 0.020 2 1305 105 105 ARG CD C 41.442 0.400 1 1306 105 105 ARG HD2 H 3.515 0.020 2 1307 105 105 ARG HD3 H 3.339 0.020 2 1308 105 105 ARG NE N 82.387 0.400 1 1309 105 105 ARG HE H 7.599 0.020 1 1310 105 105 ARG C C 173.917 0.400 1 1311 106 106 LYS N N 121.499 0.400 1 1312 106 106 LYS H H 8.807 0.020 1 1313 106 106 LYS CA C 53.868 0.400 1 1314 106 106 LYS HA H 5.578 0.020 1 1315 106 106 LYS CB C 35.299 0.400 1 1316 106 106 LYS HB2 H 1.716 0.020 2 1317 106 106 LYS HB3 H 1.714 0.020 2 1318 106 106 LYS CG C 24.003 0.400 1 1319 106 106 LYS HG2 H 1.460 0.020 2 1320 106 106 LYS HG3 H 1.402 0.020 2 1321 106 106 LYS CD C 29.231 0.400 1 1322 106 106 LYS HD2 H 1.561 0.020 2 1323 106 106 LYS HD3 H 1.562 0.020 2 1324 106 106 LYS CE C 41.780 0.400 1 1325 106 106 LYS HE2 H 2.952 0.020 2 1326 106 106 LYS HE3 H 2.953 0.020 2 1327 106 106 LYS C C 174.820 0.400 1 1328 107 107 VAL N N 118.792 0.400 1 1329 107 107 VAL H H 8.555 0.020 1 1330 107 107 VAL CA C 60.222 0.400 1 1331 107 107 VAL HA H 4.615 0.020 1 1332 107 107 VAL CB C 35.234 0.400 1 1333 107 107 VAL HB H 2.116 0.020 1 1334 107 107 VAL HG1 H 0.763 0.020 1 1335 107 107 VAL HG2 H 0.868 0.020 1 1336 107 107 VAL CG1 C 21.723 0.400 1 1337 107 107 VAL CG2 C 20.759 0.400 1 1338 107 107 VAL C C 173.332 0.400 1 1339 108 108 THR N N 114.072 0.400 1 1340 108 108 THR H H 8.604 0.020 1 1341 108 108 THR CA C 62.221 0.400 1 1342 108 108 THR HA H 4.781 0.020 1 1343 108 108 THR CB C 69.975 0.400 1 1344 108 108 THR HB H 4.218 0.020 1 1345 108 108 THR HG2 H 1.248 0.020 1 1346 108 108 THR CG2 C 21.440 0.400 1 1347 108 108 THR C C 174.625 0.400 1 1348 109 109 ASP N N 122.574 0.400 1 1349 109 109 ASP H H 8.036 0.020 1 1350 109 109 ASP CA C 53.849 0.400 1 1351 109 109 ASP HA H 4.738 0.020 1 1352 109 109 ASP CB C 43.688 0.400 1 1353 109 109 ASP HB2 H 2.816 0.020 2 1354 109 109 ASP HB3 H 2.729 0.020 2 1355 109 109 ASP C C 175.796 0.400 1 1356 110 110 ASP N N 122.852 0.400 1 1357 110 110 ASP H H 8.696 0.020 1 1358 110 110 ASP CA C 57.388 0.400 1 1359 110 110 ASP HA H 4.095 0.020 1 1360 110 110 ASP CB C 40.301 0.400 1 1361 110 110 ASP HB2 H 2.416 0.020 2 1362 110 110 ASP HB3 H 2.681 0.020 2 1363 110 110 ASP C C 177.527 0.400 1 1364 111 111 GLU N N 119.144 0.400 1 1365 111 111 GLU H H 8.213 0.020 1 1366 111 111 GLU CA C 59.357 0.400 1 1367 111 111 GLU HA H 3.988 0.020 1 1368 111 111 GLU CB C 28.496 0.400 1 1369 111 111 GLU HB2 H 2.099 0.020 2 1370 111 111 GLU HB3 H 2.023 0.020 2 1371 111 111 GLU CG C 36.010 0.400 1 1372 111 111 GLU HG2 H 2.287 0.020 2 1373 111 111 GLU HG3 H 2.269 0.020 2 1374 111 111 GLU C C 179.942 0.400 1 1375 112 112 GLU N N 121.400 0.400 1 1376 112 112 GLU H H 8.234 0.020 1 1377 112 112 GLU CA C 58.749 0.400 1 1378 112 112 GLU HA H 3.997 0.020 1 1379 112 112 GLU CB C 29.194 0.400 1 1380 112 112 GLU HB2 H 2.084 0.020 2 1381 112 112 GLU HB3 H 2.083 0.020 2 1382 112 112 GLU CG C 36.010 0.400 1 1383 112 112 GLU HG2 H 2.337 0.020 2 1384 112 112 GLU HG3 H 2.338 0.020 2 1385 112 112 GLU C C 178.430 0.400 1 1386 113 113 ALA N N 120.316 0.400 1 1387 113 113 ALA H H 8.118 0.020 1 1388 113 113 ALA CA C 55.382 0.400 1 1389 113 113 ALA HA H 3.800 0.020 1 1390 113 113 ALA HB H 1.410 0.020 1 1391 113 113 ALA CB C 18.602 0.400 1 1392 113 113 ALA C C 178.430 0.400 1 1393 114 114 LEU N N 116.901 0.400 1 1394 114 114 LEU H H 7.743 0.020 1 1395 114 114 LEU CA C 57.675 0.400 1 1396 114 114 LEU HA H 3.713 0.020 1 1397 114 114 LEU CB C 40.936 0.400 1 1398 114 114 LEU HB2 H 1.735 0.020 2 1399 114 114 LEU HB3 H 1.397 0.020 2 1400 114 114 LEU CG C 26.770 0.400 1 1401 114 114 LEU HG H 1.651 0.020 1 1402 114 114 LEU HD1 H 0.805 0.020 1 1403 114 114 LEU HD2 H 0.670 0.020 1 1404 114 114 LEU CD1 C 24.730 0.400 1 1405 114 114 LEU CD2 C 23.240 0.400 1 1406 114 114 LEU C C 178.431 0.400 1 1407 115 115 LYS N N 119.066 0.400 1 1408 115 115 LYS H H 7.617 0.020 1 1409 115 115 LYS CA C 59.883 0.400 1 1410 115 115 LYS HA H 3.800 0.020 1 1411 115 115 LYS CB C 32.178 0.400 1 1412 115 115 LYS HB2 H 1.928 0.020 2 1413 115 115 LYS HB3 H 1.934 0.020 2 1414 115 115 LYS CG C 24.910 0.400 1 1415 115 115 LYS HG2 H 1.561 0.020 2 1416 115 115 LYS HG3 H 1.300 0.020 2 1417 115 115 LYS CD C 29.549 0.400 1 1418 115 115 LYS HD2 H 1.656 0.020 2 1419 115 115 LYS HD3 H 1.659 0.020 2 1420 115 115 LYS CE C 41.780 0.400 1 1421 115 115 LYS HE2 H 2.909 0.020 2 1422 115 115 LYS HE3 H 2.909 0.020 2 1423 115 115 LYS C C 179.404 0.400 1 1424 116 116 ILE N N 120.613 0.400 1 1425 116 116 ILE H H 8.004 0.020 1 1426 116 116 ILE CA C 64.122 0.400 1 1427 116 116 ILE HA H 3.460 0.020 1 1428 116 116 ILE CB C 36.323 0.400 1 1429 116 116 ILE HB H 1.630 0.020 1 1430 116 116 ILE HG2 H 0.043 0.020 1 1431 116 116 ILE CG2 C 18.105 0.400 1 1432 116 116 ILE CG1 C 28.888 0.400 1 1433 116 116 ILE HG12 H 1.584 0.020 2 1434 116 116 ILE HG13 H 0.970 0.020 2 1435 116 116 ILE HD1 H 0.680 0.020 1 1436 116 116 ILE CD1 C 13.410 0.400 1 1437 116 116 ILE C C 177.016 0.400 1 1438 117 117 VAL N N 120.234 0.400 1 1439 117 117 VAL H H 8.121 0.020 1 1440 117 117 VAL CA C 67.505 0.400 1 1441 117 117 VAL HA H 3.260 0.020 1 1442 117 117 VAL CB C 30.753 0.400 1 1443 117 117 VAL HB H 2.047 0.020 1 1444 117 117 VAL HG1 H 0.721 0.020 1 1445 117 117 VAL HG2 H 0.865 0.020 1 1446 117 117 VAL CG1 C 21.310 0.400 1 1447 117 117 VAL CG2 C 23.986 0.400 1 1448 117 117 VAL C C 177.746 0.400 1 1449 118 118 ARG N N 118.415 0.400 1 1450 118 118 ARG H H 8.026 0.020 1 1451 118 118 ARG CA C 60.169 0.400 1 1452 118 118 ARG HA H 3.893 0.020 1 1453 118 118 ARG CB C 29.702 0.400 1 1454 118 118 ARG HB2 H 1.799 0.020 2 1455 118 118 ARG HB3 H 1.871 0.020 2 1456 118 118 ARG CG C 28.010 0.400 1 1457 118 118 ARG HG2 H 1.729 0.020 2 1458 118 118 ARG HG3 H 1.483 0.020 2 1459 118 118 ARG CD C 43.758 0.400 1 1460 118 118 ARG HD2 H 3.151 0.020 2 1461 118 118 ARG HD3 H 2.971 0.020 2 1462 118 118 ARG NE N 85.297 0.400 1 1463 118 118 ARG HE H 7.666 0.020 1 1464 118 118 ARG C C 178.966 0.400 1 1465 119 119 GLU N N 122.419 0.400 1 1466 119 119 GLU H H 7.918 0.020 1 1467 119 119 GLU CA C 59.530 0.400 1 1468 119 119 GLU HA H 4.027 0.020 1 1469 119 119 GLU CB C 28.961 0.400 1 1470 119 119 GLU HB2 H 2.117 0.020 2 1471 119 119 GLU HB3 H 2.114 0.020 2 1472 119 119 GLU CG C 36.010 0.400 1 1473 119 119 GLU HG2 H 2.076 0.020 2 1474 119 119 GLU HG3 H 2.459 0.020 2 1475 119 119 GLU C C 179.429 0.400 1 1476 120 120 PHE N N 119.597 0.400 1 1477 120 120 PHE H H 8.826 0.020 1 1478 120 120 PHE CA C 56.868 0.400 1 1479 120 120 PHE HA H 4.022 0.020 1 1480 120 120 PHE CB C 36.753 0.400 1 1481 120 120 PHE HB2 H 3.218 0.020 2 1482 120 120 PHE HB3 H 2.343 0.020 2 1483 120 120 PHE CD1 C 129.643 0.400 1 1484 120 120 PHE HD1 H 6.789 0.020 1 1485 120 120 PHE CE1 C 131.362 0.400 1 1486 120 120 PHE HE1 H 7.137 0.020 1 1487 120 120 PHE CZ C 129.438 0.400 1 1488 120 120 PHE HZ H 7.019 0.020 1 1489 120 120 PHE CE2 C 131.152 0.400 1 1490 120 120 PHE HE2 H 7.137 0.020 1 1491 120 120 PHE CD2 C 129.603 0.400 1 1492 120 120 PHE HD2 H 6.789 0.020 1 1493 120 120 PHE C C 177.698 0.400 1 1494 121 121 MET N N 116.596 0.400 1 1495 121 121 MET H H 8.317 0.020 1 1496 121 121 MET CA C 59.785 0.400 1 1497 121 121 MET HA H 3.931 0.020 1 1498 121 121 MET CB C 33.643 0.400 1 1499 121 121 MET HB2 H 2.290 0.020 2 1500 121 121 MET HB3 H 2.077 0.020 2 1501 121 121 MET CG C 31.222 0.400 1 1502 121 121 MET HG2 H 1.917 0.020 2 1503 121 121 MET HG3 H 2.625 0.020 2 1504 121 121 MET HE H 1.830 0.020 1 1505 121 121 MET CE C 16.539 0.400 1 1506 121 121 MET C C 179.577 0.400 1 1507 122 122 GLN N N 120.565 0.400 1 1508 122 122 GLN H H 8.054 0.020 1 1509 122 122 GLN CA C 58.745 0.400 1 1510 122 122 GLN HA H 4.135 0.020 1 1511 122 122 GLN CB C 28.020 0.400 1 1512 122 122 GLN HB2 H 2.241 0.020 2 1513 122 122 GLN HB3 H 2.241 0.020 2 1514 122 122 GLN CG C 33.526 0.400 1 1515 122 122 GLN HG2 H 2.406 0.020 2 1516 122 122 GLN HG3 H 2.521 0.020 2 1517 122 122 GLN NE2 N 111.549 0.400 1 1518 122 122 GLN HE21 H 7.466 0.020 2 1519 122 122 GLN HE22 H 6.831 0.020 2 1520 122 122 GLN C C 178.893 0.400 1 1521 123 123 LYS N N 121.605 0.400 1 1522 123 123 LYS H H 8.400 0.020 1 1523 123 123 LYS CA C 59.243 0.400 1 1524 123 123 LYS HA H 4.025 0.020 1 1525 123 123 LYS CB C 32.306 0.400 1 1526 123 123 LYS HB2 H 1.934 0.020 2 1527 123 123 LYS HB3 H 1.914 0.020 2 1528 123 123 LYS CG C 25.679 0.400 1 1529 123 123 LYS HG2 H 1.575 0.020 2 1530 123 123 LYS HG3 H 1.698 0.020 2 1531 123 123 LYS CD C 29.286 0.400 1 1532 123 123 LYS HD2 H 1.843 0.020 2 1533 123 123 LYS HD3 H 1.748 0.020 2 1534 123 123 LYS CE C 41.780 0.400 1 1535 123 123 LYS HE2 H 3.013 0.020 2 1536 123 123 LYS HE3 H 3.009 0.020 2 1537 123 123 LYS C C 179.307 0.400 1 1538 124 124 ALA N N 121.873 0.400 1 1539 124 124 ALA H H 8.601 0.020 1 1540 124 124 ALA CA C 54.652 0.400 1 1541 124 124 ALA HA H 4.144 0.020 1 1542 124 124 ALA HB H 1.504 0.020 1 1543 124 124 ALA CB C 18.934 0.400 1 1544 124 124 ALA C C 179.112 0.400 1 1545 125 125 GLY N N 104.755 0.400 1 1546 125 125 GLY H H 7.949 0.020 1 1547 125 125 GLY CA C 46.291 0.400 1 1548 125 125 GLY HA2 H 4.052 0.020 2 1549 125 125 GLY HA3 H 4.063 0.020 2 1550 125 125 GLY C C 175.553 0.400 1 1551 126 126 SER N N 116.080 0.400 1 1552 126 126 SER H H 7.861 0.020 1 1553 126 126 SER CA C 59.965 0.400 1 1554 126 126 SER HA H 4.447 0.020 1 1555 126 126 SER CB C 63.460 0.400 1 1556 126 126 SER HB2 H 4.023 0.020 2 1557 126 126 SER HB3 H 4.030 0.020 2 1558 126 126 SER C C 175.504 0.400 1 1559 127 127 LEU N N 122.372 0.400 1 1560 127 127 LEU H H 7.882 0.020 1 1561 127 127 LEU CA C 56.217 0.400 1 1562 127 127 LEU HA H 4.282 0.020 1 1563 127 127 LEU CB C 42.073 0.400 1 1564 127 127 LEU HB2 H 1.933 0.020 2 1565 127 127 LEU HB3 H 1.613 0.020 2 1566 127 127 LEU CG C 26.770 0.400 1 1567 127 127 LEU HG H 1.858 0.020 1 1568 127 127 LEU HD1 H 1.012 0.020 1 1569 127 127 LEU HD2 H 0.931 0.020 1 1570 127 127 LEU CD1 C 25.524 0.400 1 1571 127 127 LEU CD2 C 22.960 0.400 1 1572 127 127 LEU C C 177.990 0.400 1 1573 128 128 GLU N N 119.775 0.400 1 1574 128 128 GLU H H 8.084 0.020 1 1575 128 128 GLU CA C 57.611 0.400 1 1576 128 128 GLU HA H 3.908 0.020 1 1577 128 128 GLU CB C 29.830 0.400 1 1578 128 128 GLU HB2 H 1.901 0.020 2 1579 128 128 GLU HB3 H 1.954 0.020 2 1580 128 128 GLU CG C 36.010 0.400 1 1581 128 128 GLU HG2 H 2.014 0.020 2 1582 128 128 GLU HG3 H 2.014 0.020 2 1583 131 131 HIS N N 125.272 0.400 1 1584 131 131 HIS H H 8.059 0.020 1 stop_ save_