save_polymer _Saveframe_category monomeric_polymer ############################## # Polymer residue sequence # ############################## _Residue_count 91 _Mol_residue_sequence ; MGHHHHHHSHMLTKHGKNPV MELNEKRRGLKYELISETGG SHDKRFVMEVEVDGQKFQGA GSNKKVAKAYAALAALEKLF PDTPLALDANK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLY 3 3 HIS 4 4 HIS 6 6 HIS 7 7 HIS 8 8 HIS 9 9 SER 11 11 MET 12 12 LEU 13 13 THR 14 14 LYS 16 16 GLY 17 17 LYS 18 18 ASN 19 19 PRO 21 21 MET 22 22 GLU 23 23 LEU 24 24 ASN 26 26 LYS 27 27 ARG 28 28 ARG 29 29 GLY 31 31 LYS 32 32 TYR 33 33 GLU 34 34 LEU 36 36 SER 37 37 GLU 38 38 THR 39 39 GLY 41 41 SER 42 42 HIS 43 43 ASP 44 44 LYS 46 46 PHE 47 47 VAL 48 48 MET 49 49 GLU 51 51 GLU 52 52 VAL 53 53 ASP 54 54 GLY 56 56 LYS 57 57 PHE 58 58 GLN 59 59 GLY 61 61 GLY 62 62 SER 63 63 ASN 64 64 LYS 66 66 VAL 67 67 ALA 68 68 LYS 69 69 ALA 71 71 ALA 72 72 ALA 73 73 LEU 74 74 ALA 76 76 LEU 77 77 GLU 78 78 LYS 79 79 LEU 81 81 PRO 82 82 ASP 83 83 THR 84 84 PRO 86 86 ALA 87 87 LEU 88 88 ASP 89 89 ALA 91 91 LYS 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 10 10 HIS CA C 56.144 0.400 1 2 10 10 HIS HA H 4.584 0.020 1 3 10 10 HIS CB C 30.024 0.400 1 4 10 10 HIS HB2 H 3.058 0.020 2 5 10 10 HIS HB3 H 3.057 0.020 2 6 10 10 HIS CD2 C 119.732 0.400 1 7 10 10 HIS HD2 H 7.005 0.020 1 8 11 11 MET N N 119.730 0.400 1 9 11 11 MET H H 8.102 0.020 1 10 11 11 MET CA C 55.347 0.400 1 11 11 11 MET HA H 4.318 0.020 1 12 11 11 MET CB C 32.096 0.400 1 13 11 11 MET HB2 H 1.894 0.020 2 14 11 11 MET HB3 H 1.892 0.020 2 15 11 11 MET CG C 31.621 0.400 1 16 11 11 MET HG2 H 2.315 0.020 2 17 11 11 MET HG3 H 2.249 0.020 2 18 11 11 MET HE H 1.768 0.020 1 19 11 11 MET CE C 16.186 0.400 1 20 12 12 LEU N N 120.405 0.400 1 21 12 12 LEU H H 7.857 0.020 1 22 12 12 LEU CA C 53.770 0.400 1 23 12 12 LEU HA H 4.609 0.020 1 24 12 12 LEU CB C 43.730 0.400 1 25 12 12 LEU HB2 H 1.598 0.020 2 26 12 12 LEU HB3 H 1.375 0.020 2 27 12 12 LEU CG C 26.471 0.400 1 28 12 12 LEU HG H 1.463 0.020 1 29 12 12 LEU HD1 H 0.745 0.020 2 30 12 12 LEU HD2 H 0.662 0.020 2 31 12 12 LEU CD1 C 24.910 0.400 1 32 12 12 LEU CD2 C 22.699 0.400 1 33 13 13 THR N N 110.786 0.400 1 34 13 13 THR H H 8.438 0.020 1 35 13 13 THR CA C 60.928 0.400 1 36 13 13 THR HA H 4.334 0.020 1 37 13 13 THR CB C 70.504 0.400 1 38 13 13 THR HB H 4.481 0.020 1 39 13 13 THR HG2 H 1.102 0.020 1 40 13 13 THR CG2 C 21.440 0.400 1 41 14 14 LYS N N 121.792 0.400 1 42 14 14 LYS H H 8.882 0.020 1 43 14 14 LYS CA C 57.394 0.400 1 44 14 14 LYS HA H 4.100 0.020 1 45 14 14 LYS CB C 31.920 0.400 1 46 14 14 LYS HB2 H 1.646 0.020 2 47 14 14 LYS HB3 H 1.646 0.020 2 48 14 14 LYS CG C 23.952 0.400 1 49 14 14 LYS HG2 H 1.201 0.020 2 50 14 14 LYS HG3 H 1.098 0.020 2 51 14 14 LYS CD C 28.780 0.400 1 52 14 14 LYS HD2 H 1.583 0.020 2 53 14 14 LYS HD3 H 1.582 0.020 2 54 14 14 LYS CE C 41.780 0.400 1 55 14 14 LYS HE2 H 2.913 0.020 2 56 14 14 LYS HE3 H 2.910 0.020 2 57 15 15 HIS N N 116.562 0.400 1 58 15 15 HIS H H 7.933 0.020 1 59 15 15 HIS CA C 55.054 0.400 1 60 15 15 HIS HA H 4.722 0.020 1 61 15 15 HIS CB C 29.330 0.400 1 62 15 15 HIS HB2 H 3.326 0.020 2 63 15 15 HIS HB3 H 2.964 0.020 2 64 15 15 HIS CD2 C 119.628 0.400 1 65 15 15 HIS HD2 H 7.164 0.020 1 66 16 16 GLY N N 108.560 0.400 1 67 16 16 GLY H H 8.289 0.020 1 68 16 16 GLY CA C 45.702 0.400 1 69 16 16 GLY HA2 H 3.669 0.020 2 70 16 16 GLY HA3 H 3.972 0.020 2 71 17 17 LYS N N 118.491 0.400 1 72 17 17 LYS H H 7.598 0.020 1 73 17 17 LYS CA C 54.364 0.400 1 74 17 17 LYS HA H 4.452 0.020 1 75 17 17 LYS CB C 34.028 0.400 1 76 17 17 LYS HB2 H 1.721 0.020 2 77 17 17 LYS HB3 H 1.720 0.020 2 78 17 17 LYS CG C 24.910 0.400 1 79 17 17 LYS HG2 H 1.238 0.020 2 80 17 17 LYS HG3 H 1.270 0.020 2 81 17 17 LYS CD C 28.780 0.400 1 82 17 17 LYS HD2 H 1.509 0.020 2 83 17 17 LYS HD3 H 1.509 0.020 2 84 17 17 LYS CE C 41.780 0.400 1 85 17 17 LYS HE2 H 2.846 0.020 2 86 17 17 LYS HE3 H 2.856 0.020 2 87 18 18 ASN N N 121.134 0.400 1 88 18 18 ASN H H 8.783 0.020 1 89 18 18 ASN CA C 50.950 0.400 1 90 18 18 ASN HA H 4.849 0.020 1 91 18 18 ASN CB C 38.544 0.400 1 92 18 18 ASN HB2 H 2.859 0.020 2 93 18 18 ASN HB3 H 2.860 0.020 2 94 18 18 ASN ND2 N 114.693 0.400 1 95 18 18 ASN HD21 H 7.921 0.020 2 96 18 18 ASN HD22 H 7.121 0.020 2 97 19 19 PRO CD C 50.752 0.400 1 98 19 19 PRO CA C 64.880 0.400 1 99 19 19 PRO HA H 3.987 0.020 1 100 19 19 PRO CB C 32.458 0.400 1 101 19 19 PRO HB2 H 1.980 0.020 2 102 19 19 PRO HB3 H 1.984 0.020 2 103 19 19 PRO CG C 27.996 0.400 1 104 19 19 PRO HG2 H 1.960 0.020 2 105 19 19 PRO HG3 H 1.867 0.020 2 106 19 19 PRO HD2 H 4.023 0.020 2 107 19 19 PRO HD3 H 3.791 0.020 2 108 20 20 VAL N N 116.615 0.400 1 109 20 20 VAL H H 7.594 0.020 1 110 20 20 VAL CA C 65.785 0.400 1 111 20 20 VAL HA H 3.385 0.020 1 112 20 20 VAL CB C 31.442 0.400 1 113 20 20 VAL HB H 1.938 0.020 1 114 20 20 VAL HG1 H 0.745 0.020 2 115 20 20 VAL HG2 H 0.729 0.020 2 116 20 20 VAL CG1 C 20.537 0.400 1 117 20 20 VAL CG2 C 22.467 0.400 1 118 21 21 MET N N 119.057 0.400 1 119 21 21 MET H H 7.120 0.020 1 120 21 21 MET CA C 57.745 0.400 1 121 21 21 MET HA H 4.144 0.020 1 122 21 21 MET CB C 32.010 0.400 1 123 21 21 MET HB2 H 2.058 0.020 2 124 21 21 MET HB3 H 2.149 0.020 2 125 21 21 MET CG C 32.070 0.400 1 126 21 21 MET HG2 H 2.628 0.020 2 127 21 21 MET HG3 H 2.457 0.020 2 128 21 21 MET HE H 2.056 0.020 1 129 21 21 MET CE C 17.058 0.400 1 130 22 22 GLU N N 120.421 0.400 1 131 22 22 GLU H H 8.232 0.020 1 132 22 22 GLU CA C 59.271 0.400 1 133 22 22 GLU HA H 3.889 0.020 1 134 22 22 GLU CB C 29.303 0.400 1 135 22 22 GLU HB2 H 1.842 0.020 2 136 22 22 GLU HB3 H 1.943 0.020 2 137 22 22 GLU CG C 36.010 0.400 1 138 22 22 GLU HG2 H 2.067 0.020 2 139 22 22 GLU HG3 H 2.118 0.020 2 140 23 23 LEU N N 119.181 0.400 1 141 23 23 LEU H H 8.383 0.020 1 142 23 23 LEU CA C 57.734 0.400 1 143 23 23 LEU HA H 3.931 0.020 1 144 23 23 LEU CB C 40.481 0.400 1 145 23 23 LEU HB2 H 2.016 0.020 2 146 23 23 LEU HB3 H 1.259 0.020 2 147 23 23 LEU CG C 26.770 0.400 1 148 23 23 LEU HG H 1.610 0.020 1 149 23 23 LEU HD1 H 0.787 0.020 2 150 23 23 LEU HD2 H 0.912 0.020 2 151 23 23 LEU CD1 C 22.272 0.400 1 152 23 23 LEU CD2 C 26.040 0.400 1 153 24 24 ASN N N 116.978 0.400 1 154 24 24 ASN H H 7.743 0.020 1 155 24 24 ASN CA C 54.698 0.400 1 156 24 24 ASN HA H 4.629 0.020 1 157 24 24 ASN CB C 38.331 0.400 1 158 24 24 ASN HB2 H 2.922 0.020 2 159 24 24 ASN HB3 H 2.857 0.020 2 160 24 24 ASN ND2 N 115.411 0.400 1 161 24 24 ASN HD21 H 7.871 0.020 2 162 24 24 ASN HD22 H 6.978 0.020 2 163 25 25 GLU N N 115.271 0.400 1 164 25 25 GLU H H 7.363 0.020 1 165 25 25 GLU CA C 57.778 0.400 1 166 25 25 GLU HA H 3.972 0.020 1 167 25 25 GLU CB C 29.473 0.400 1 168 25 25 GLU HB2 H 1.993 0.020 2 169 25 25 GLU HB3 H 2.095 0.020 2 170 25 25 GLU CG C 36.171 0.400 1 171 25 25 GLU HG2 H 2.216 0.020 2 172 25 25 GLU HG3 H 2.445 0.020 2 173 26 26 LYS N N 116.251 0.400 1 174 26 26 LYS H H 7.266 0.020 1 175 26 26 LYS CA C 56.048 0.400 1 176 26 26 LYS HA H 4.103 0.020 1 177 26 26 LYS CB C 33.484 0.400 1 178 26 26 LYS HB2 H 1.308 0.020 2 179 26 26 LYS HB3 H 1.518 0.020 2 180 26 26 LYS CG C 23.978 0.400 1 181 26 26 LYS HG2 H 0.747 0.020 2 182 26 26 LYS HG3 H 1.205 0.020 2 183 26 26 LYS CD C 27.681 0.400 1 184 26 26 LYS HD2 H 0.849 0.020 2 185 26 26 LYS HD3 H 0.897 0.020 2 186 26 26 LYS CE C 42.018 0.400 1 187 26 26 LYS HE2 H 2.515 0.020 2 188 26 26 LYS HE3 H 2.518 0.020 2 189 27 27 ARG N N 120.876 0.400 1 190 27 27 ARG H H 8.158 0.020 1 191 27 27 ARG CA C 52.505 0.400 1 192 27 27 ARG HA H 4.619 0.020 1 193 27 27 ARG CB C 32.721 0.400 1 194 27 27 ARG HB2 H 1.775 0.020 2 195 27 27 ARG HB3 H 1.698 0.020 2 196 27 27 ARG CG C 26.703 0.400 1 197 27 27 ARG HG2 H 1.417 0.020 2 198 27 27 ARG HG3 H 1.518 0.020 2 199 27 27 ARG CD C 42.179 0.400 1 200 27 27 ARG HD2 H 3.184 0.020 2 201 27 27 ARG HD3 H 3.586 0.020 2 202 27 27 ARG NE N 85.606 0.400 1 203 27 27 ARG HE H 9.135 0.020 1 204 28 28 ARG N N 122.416 0.400 1 205 28 28 ARG H H 8.350 0.020 1 206 28 28 ARG CA C 55.680 0.400 1 207 28 28 ARG HA H 4.407 0.020 1 208 28 28 ARG CB C 30.867 0.400 1 209 28 28 ARG HB2 H 1.786 0.020 2 210 28 28 ARG HB3 H 1.766 0.020 2 211 28 28 ARG CG C 27.038 0.400 1 212 28 28 ARG HG2 H 1.660 0.020 2 213 28 28 ARG HG3 H 1.662 0.020 2 214 28 28 ARG CD C 43.100 0.400 1 215 28 28 ARG HD2 H 3.161 0.020 2 216 28 28 ARG HD3 H 3.208 0.020 2 217 29 29 GLY N N 108.952 0.400 1 218 29 29 GLY H H 8.586 0.020 1 219 29 29 GLY CA C 46.262 0.400 1 220 29 29 GLY HA2 H 3.830 0.020 2 221 29 29 GLY HA3 H 3.870 0.020 2 222 30 30 LEU N N 119.363 0.400 1 223 30 30 LEU H H 8.111 0.020 1 224 30 30 LEU CA C 54.951 0.400 1 225 30 30 LEU HA H 4.225 0.020 1 226 30 30 LEU CB C 41.578 0.400 1 227 30 30 LEU HB2 H 1.691 0.020 2 228 30 30 LEU HB3 H 0.897 0.020 2 229 30 30 LEU CG C 26.060 0.400 1 230 30 30 LEU HG H 1.540 0.020 1 231 30 30 LEU HD1 H 0.769 0.020 2 232 30 30 LEU HD2 H 0.868 0.020 2 233 30 30 LEU CD1 C 26.767 0.400 1 234 30 30 LEU CD2 C 22.288 0.400 1 235 31 31 LYS N N 121.744 0.400 1 236 31 31 LYS H H 8.494 0.020 1 237 31 31 LYS CA C 54.656 0.400 1 238 31 31 LYS HA H 4.599 0.020 1 239 31 31 LYS CB C 34.201 0.400 1 240 31 31 LYS HB2 H 1.786 0.020 2 241 31 31 LYS HB3 H 1.700 0.020 2 242 31 31 LYS CG C 24.467 0.400 1 243 31 31 LYS HG2 H 1.407 0.020 2 244 31 31 LYS HG3 H 1.299 0.020 2 245 31 31 LYS CD C 28.918 0.400 1 246 31 31 LYS HD2 H 1.671 0.020 2 247 31 31 LYS HD3 H 1.673 0.020 2 248 31 31 LYS CE C 41.780 0.400 1 249 31 31 LYS HE2 H 2.968 0.020 2 250 31 31 LYS HE3 H 2.969 0.020 2 251 32 32 TYR N N 124.248 0.400 1 252 32 32 TYR H H 8.680 0.020 1 253 32 32 TYR CA C 56.764 0.400 1 254 32 32 TYR HA H 4.944 0.020 1 255 32 32 TYR CB C 39.337 0.400 1 256 32 32 TYR HB2 H 2.513 0.020 2 257 32 32 TYR HB3 H 2.856 0.020 2 258 32 32 TYR CD1 C 132.711 0.400 1 259 32 32 TYR HD1 H 6.819 0.020 1 260 32 32 TYR CE1 C 117.475 0.400 1 261 32 32 TYR HE1 H 6.663 0.020 1 262 32 32 TYR CE2 C 117.436 0.400 1 263 32 32 TYR HE2 H 6.663 0.020 1 264 32 32 TYR CD2 C 132.832 0.400 1 265 32 32 TYR HD2 H 6.819 0.020 1 266 33 33 GLU N N 124.370 0.400 1 267 33 33 GLU H H 9.441 0.020 1 268 33 33 GLU CA C 54.211 0.400 1 269 33 33 GLU HA H 4.634 0.020 1 270 33 33 GLU CB C 32.610 0.400 1 271 33 33 GLU HB2 H 1.943 0.020 2 272 33 33 GLU HB3 H 1.814 0.020 2 273 33 33 GLU CG C 35.425 0.400 1 274 33 33 GLU HG2 H 2.219 0.020 2 275 33 33 GLU HG3 H 2.060 0.020 2 276 34 34 LEU N N 126.771 0.400 1 277 34 34 LEU H H 8.791 0.020 1 278 34 34 LEU CA C 54.951 0.400 1 279 34 34 LEU HA H 4.975 0.020 1 280 34 34 LEU CB C 41.622 0.400 1 281 34 34 LEU HB2 H 1.995 0.020 2 282 34 34 LEU HB3 H 1.421 0.020 2 283 34 34 LEU CG C 27.401 0.400 1 284 34 34 LEU HG H 1.515 0.020 1 285 34 34 LEU HD1 H 1.216 0.020 2 286 34 34 LEU HD2 H 1.060 0.020 2 287 34 34 LEU CD1 C 25.002 0.400 1 288 34 34 LEU CD2 C 26.575 0.400 1 289 35 35 ILE N N 126.944 0.400 1 290 35 35 ILE H H 8.979 0.020 1 291 35 35 ILE CA C 60.307 0.400 1 292 35 35 ILE HA H 4.358 0.020 1 293 35 35 ILE CB C 37.614 0.400 1 294 35 35 ILE HB H 1.873 0.020 1 295 35 35 ILE HG2 H 0.823 0.020 1 296 35 35 ILE CG2 C 17.071 0.400 1 297 35 35 ILE CG1 C 26.818 0.400 1 298 35 35 ILE HG12 H 1.142 0.020 2 299 35 35 ILE HG13 H 1.229 0.020 2 300 35 35 ILE HD1 H 0.651 0.020 1 301 35 35 ILE CD1 C 10.733 0.400 1 302 36 36 SER N N 112.175 0.400 1 303 36 36 SER H H 7.562 0.020 1 304 36 36 SER CA C 57.608 0.400 1 305 36 36 SER HA H 4.560 0.020 1 306 36 36 SER CB C 64.536 0.400 1 307 36 36 SER HB2 H 3.753 0.020 2 308 36 36 SER HB3 H 3.571 0.020 2 309 37 37 GLU N N 125.042 0.400 1 310 37 37 GLU H H 8.317 0.020 1 311 37 37 GLU CA C 54.867 0.400 1 312 37 37 GLU HA H 4.815 0.020 1 313 37 37 GLU CB C 31.820 0.400 1 314 37 37 GLU HB2 H 1.815 0.020 2 315 37 37 GLU HB3 H 1.861 0.020 2 316 37 37 GLU CG C 35.453 0.400 1 317 37 37 GLU HG2 H 1.502 0.020 2 318 37 37 GLU HG3 H 1.787 0.020 2 319 38 38 THR N N 116.676 0.400 1 320 38 38 THR H H 8.480 0.020 1 321 38 38 THR CA C 59.865 0.400 1 322 38 38 THR HA H 4.614 0.020 1 323 38 38 THR CB C 71.532 0.400 1 324 38 38 THR HB H 4.188 0.020 1 325 38 38 THR HG2 H 1.079 0.020 1 326 38 38 THR CG2 C 21.237 0.400 1 327 39 39 GLY N N 107.816 0.400 1 328 39 39 GLY H H 8.375 0.020 1 329 39 39 GLY CA C 44.133 0.400 1 330 39 39 GLY HA2 H 3.718 0.020 2 331 39 39 GLY HA3 H 4.271 0.020 2 332 40 40 GLY N N 108.249 0.400 1 333 40 40 GLY H H 8.375 0.020 1 334 40 40 GLY CA C 44.350 0.400 1 335 40 40 GLY HA2 H 3.766 0.020 2 336 40 40 GLY HA3 H 4.207 0.020 2 337 42 42 HIS CA C 56.519 0.400 1 338 42 42 HIS HA H 4.634 0.020 1 339 42 42 HIS CB C 29.883 0.400 1 340 42 42 HIS HB2 H 3.107 0.020 2 341 42 42 HIS HB3 H 3.202 0.020 2 342 42 42 HIS CD2 C 119.565 0.400 1 343 42 42 HIS HD2 H 7.093 0.020 1 344 43 43 ASP N N 120.127 0.400 1 345 43 43 ASP H H 7.986 0.020 1 346 43 43 ASP CA C 53.075 0.400 1 347 43 43 ASP HA H 4.607 0.020 1 348 43 43 ASP CB C 39.918 0.400 1 349 43 43 ASP HB2 H 2.579 0.020 2 350 43 43 ASP HB3 H 2.437 0.020 2 351 44 44 LYS N N 121.439 0.400 1 352 44 44 LYS H H 7.572 0.020 1 353 44 44 LYS CA C 55.119 0.400 1 354 44 44 LYS HA H 4.337 0.020 1 355 44 44 LYS CB C 32.298 0.400 1 356 44 44 LYS HB2 H 1.814 0.020 2 357 44 44 LYS HB3 H 1.541 0.020 2 358 44 44 LYS CG C 23.897 0.400 1 359 44 44 LYS HG2 H 1.369 0.020 2 360 44 44 LYS HG3 H 1.177 0.020 2 361 44 44 LYS CD C 27.576 0.400 1 362 44 44 LYS HD2 H 1.420 0.020 2 363 44 44 LYS HD3 H 1.290 0.020 2 364 44 44 LYS CE C 41.780 0.400 1 365 44 44 LYS HE2 H 2.644 0.020 2 366 44 44 LYS HE3 H 2.712 0.020 2 367 45 45 ARG HA H 4.354 0.020 1 368 45 45 ARG CB C 32.593 0.400 1 369 45 45 ARG HB2 H 1.509 0.020 2 370 45 45 ARG HB3 H 1.453 0.020 2 371 45 45 ARG CG C 27.310 0.400 1 372 45 45 ARG HG2 H 1.172 0.020 2 373 45 45 ARG HG3 H 1.317 0.020 2 374 45 45 ARG CD C 43.100 0.400 1 375 45 45 ARG HD2 H 2.954 0.020 2 376 45 45 ARG HD3 H 2.954 0.020 2 377 45 45 ARG NE N 84.677 0.400 1 378 45 45 ARG HE H 7.050 0.020 1 379 46 46 PHE CA C 56.571 0.400 1 380 46 46 PHE HA H 5.158 0.020 1 381 46 46 PHE CB C 41.460 0.400 1 382 46 46 PHE HB2 H 2.587 0.020 2 383 46 46 PHE HB3 H 2.550 0.020 2 384 46 46 PHE CD1 C 131.214 0.400 1 385 46 46 PHE HD1 H 7.016 0.020 1 386 46 46 PHE CE1 C 131.199 0.400 1 387 46 46 PHE HE1 H 7.342 0.020 1 388 46 46 PHE CZ C 129.898 0.400 1 389 46 46 PHE HZ H 7.319 0.020 1 390 46 46 PHE CE2 C 131.076 0.400 1 391 46 46 PHE HE2 H 7.342 0.020 1 392 46 46 PHE CD2 C 131.231 0.400 1 393 46 46 PHE HD2 H 7.016 0.020 1 394 47 47 VAL N N 119.944 0.400 1 395 47 47 VAL H H 8.625 0.020 1 396 47 47 VAL CA C 61.279 0.400 1 397 47 47 VAL HA H 5.045 0.020 1 398 47 47 VAL CB C 33.479 0.400 1 399 47 47 VAL HB H 1.931 0.020 1 400 47 47 VAL HG1 H 0.821 0.020 2 401 47 47 VAL HG2 H 0.840 0.020 2 402 47 47 VAL CG1 C 20.927 0.400 1 403 47 47 VAL CG2 C 20.610 0.400 1 404 48 48 MET N N 125.432 0.400 1 405 48 48 MET H H 9.230 0.020 1 406 48 48 MET CA C 52.170 0.400 1 407 48 48 MET HA H 5.610 0.020 1 408 48 48 MET CB C 35.417 0.400 1 409 48 48 MET HB2 H 1.793 0.020 2 410 48 48 MET HB3 H 1.751 0.020 2 411 48 48 MET CG C 33.062 0.400 1 412 48 48 MET HG2 H 2.529 0.020 2 413 48 48 MET HG3 H 2.345 0.020 2 414 48 48 MET HE H 1.931 0.020 1 415 48 48 MET CE C 17.038 0.400 1 416 49 49 GLU N N 121.511 0.400 1 417 49 49 GLU H H 9.430 0.020 1 418 49 49 GLU CA C 54.091 0.400 1 419 49 49 GLU HA H 5.671 0.020 1 420 49 49 GLU CB C 35.842 0.400 1 421 49 49 GLU HB2 H 1.845 0.020 2 422 49 49 GLU HB3 H 2.018 0.020 2 423 49 49 GLU CG C 38.624 0.400 1 424 49 49 GLU HG2 H 2.016 0.020 2 425 49 49 GLU HG3 H 1.927 0.020 2 426 50 50 VAL N N 125.164 0.400 1 427 50 50 VAL H H 9.162 0.020 1 428 50 50 VAL CA C 58.548 0.400 1 429 50 50 VAL HA H 4.754 0.020 1 430 50 50 VAL CB C 35.927 0.400 1 431 50 50 VAL HB H 1.324 0.020 1 432 50 50 VAL HG1 H 0.696 0.020 2 433 50 50 VAL HG2 H 0.262 0.020 2 434 50 50 VAL CG1 C 18.309 0.400 1 435 50 50 VAL CG2 C 21.310 0.400 1 436 51 51 GLU N N 129.133 0.400 1 437 51 51 GLU H H 8.063 0.020 1 438 51 51 GLU CA C 53.988 0.400 1 439 51 51 GLU HA H 5.288 0.020 1 440 51 51 GLU CB C 31.035 0.400 1 441 51 51 GLU HB2 H 1.968 0.020 2 442 51 51 GLU HB3 H 1.683 0.020 2 443 51 51 GLU CG C 36.411 0.400 1 444 51 51 GLU HG2 H 1.807 0.020 2 445 51 51 GLU HG3 H 1.808 0.020 2 446 52 52 VAL N N 126.813 0.400 1 447 52 52 VAL H H 9.375 0.020 1 448 52 52 VAL CA C 60.843 0.400 1 449 52 52 VAL HA H 4.271 0.020 1 450 52 52 VAL CB C 33.843 0.400 1 451 52 52 VAL HB H 2.161 0.020 1 452 52 52 VAL HG1 H 0.943 0.020 2 453 52 52 VAL HG2 H 0.938 0.020 2 454 52 52 VAL CG1 C 22.154 0.400 1 455 52 52 VAL CG2 C 22.041 0.400 1 456 53 53 ASP N N 127.118 0.400 1 457 53 53 ASP H H 9.154 0.020 1 458 53 53 ASP CA C 54.764 0.400 1 459 53 53 ASP HA H 4.237 0.020 1 460 53 53 ASP CB C 38.138 0.400 1 461 53 53 ASP HB2 H 2.897 0.020 2 462 53 53 ASP HB3 H 2.783 0.020 2 463 54 54 GLY N N 103.187 0.400 1 464 54 54 GLY H H 8.781 0.020 1 465 54 54 GLY CA C 45.165 0.400 1 466 54 54 GLY HA2 H 3.638 0.020 2 467 54 54 GLY HA3 H 4.065 0.020 2 468 55 55 GLN N N 121.223 0.400 1 469 55 55 GLN H H 8.023 0.020 1 470 55 55 GLN CA C 54.022 0.400 1 471 55 55 GLN HA H 4.418 0.020 1 472 55 55 GLN CB C 31.625 0.400 1 473 55 55 GLN HB2 H 2.037 0.020 2 474 55 55 GLN HB3 H 1.749 0.020 2 475 55 55 GLN CG C 33.960 0.400 1 476 55 55 GLN HG2 H 2.165 0.020 2 477 55 55 GLN HG3 H 2.038 0.020 2 478 55 55 GLN NE2 N 111.810 0.400 1 479 55 55 GLN HE21 H 6.797 0.020 2 480 55 55 GLN HE22 H 7.537 0.020 2 481 56 56 LYS N N 120.645 0.400 1 482 56 56 LYS H H 8.203 0.020 1 483 56 56 LYS CA C 55.288 0.400 1 484 56 56 LYS HA H 4.663 0.020 1 485 56 56 LYS CB C 34.153 0.400 1 486 56 56 LYS HB2 H 1.501 0.020 2 487 56 56 LYS HB3 H 1.377 0.020 2 488 56 56 LYS CG C 25.282 0.400 1 489 56 56 LYS HG2 H 1.067 0.020 2 490 56 56 LYS HG3 H 1.279 0.020 2 491 56 56 LYS CD C 28.780 0.400 1 492 56 56 LYS HD2 H 1.532 0.020 2 493 56 56 LYS HD3 H 1.392 0.020 2 494 56 56 LYS CE C 41.780 0.400 1 495 56 56 LYS HE2 H 2.816 0.020 2 496 56 56 LYS HE3 H 2.812 0.020 2 497 57 57 PHE N N 121.500 0.400 1 498 57 57 PHE H H 8.797 0.020 1 499 57 57 PHE CA C 57.356 0.400 1 500 57 57 PHE HA H 4.654 0.020 1 501 57 57 PHE CB C 41.580 0.400 1 502 57 57 PHE HB2 H 3.165 0.020 2 503 57 57 PHE HB3 H 2.804 0.020 2 504 57 57 PHE CD1 C 132.473 0.400 1 505 57 57 PHE HD1 H 7.155 0.020 1 506 57 57 PHE CE1 C 131.275 0.400 1 507 57 57 PHE HE1 H 7.210 0.020 1 508 57 57 PHE CZ C 127.989 0.400 1 509 57 57 PHE HZ H 6.933 0.020 1 510 57 57 PHE CE2 C 131.314 0.400 1 511 57 57 PHE HE2 H 7.210 0.020 1 512 57 57 PHE CD2 C 132.689 0.400 1 513 57 57 PHE HD2 H 7.155 0.020 1 514 58 58 GLN N N 119.546 0.400 1 515 58 58 GLN H H 8.642 0.020 1 516 58 58 GLN CA C 53.896 0.400 1 517 58 58 GLN HA H 5.808 0.020 1 518 58 58 GLN CB C 31.624 0.400 1 519 58 58 GLN HB2 H 1.961 0.020 2 520 58 58 GLN HB3 H 1.891 0.020 2 521 58 58 GLN CG C 33.720 0.400 1 522 58 58 GLN HG2 H 2.387 0.020 2 523 58 58 GLN HG3 H 2.274 0.020 2 524 58 58 GLN NE2 N 111.234 0.400 1 525 58 58 GLN HE21 H 8.214 0.020 2 526 58 58 GLN HE22 H 6.558 0.020 2 527 59 59 GLY N N 107.365 0.400 1 528 59 59 GLY H H 8.835 0.020 1 529 59 59 GLY CA C 44.691 0.400 1 530 59 59 GLY HA2 H 4.059 0.020 2 531 59 59 GLY HA3 H 4.447 0.020 2 532 60 60 ALA N N 123.517 0.400 1 533 60 60 ALA H H 8.309 0.020 1 534 60 60 ALA CA C 49.561 0.400 1 535 60 60 ALA HA H 6.084 0.020 1 536 60 60 ALA HB H 1.309 0.020 1 537 60 60 ALA CB C 23.272 0.400 1 538 61 61 GLY N N 103.241 0.400 1 539 61 61 GLY H H 8.533 0.020 1 540 61 61 GLY CA C 45.163 0.400 1 541 61 61 GLY HA2 H 4.487 0.020 2 542 61 61 GLY HA3 H 4.075 0.020 2 543 62 62 SER N N 114.556 0.400 1 544 62 62 SER H H 8.894 0.020 1 545 62 62 SER CA C 59.423 0.400 1 546 62 62 SER HA H 4.712 0.020 1 547 62 62 SER CB C 63.260 0.400 1 548 62 62 SER HB2 H 4.118 0.020 2 549 62 62 SER HB3 H 3.989 0.020 2 550 63 63 ASN N N 112.606 0.400 1 551 63 63 ASN H H 7.522 0.020 1 552 63 63 ASN CA C 51.744 0.400 1 553 63 63 ASN HA H 4.624 0.020 1 554 63 63 ASN CB C 40.651 0.400 1 555 63 63 ASN HB2 H 2.914 0.020 2 556 63 63 ASN HB3 H 2.862 0.020 2 557 63 63 ASN ND2 N 115.048 0.400 1 558 63 63 ASN HD21 H 7.584 0.020 2 559 63 63 ASN HD22 H 6.765 0.020 2 560 64 64 LYS N N 119.851 0.400 1 561 64 64 LYS H H 8.290 0.020 1 562 64 64 LYS CA C 60.434 0.400 1 563 64 64 LYS HA H 3.279 0.020 1 564 64 64 LYS CB C 32.256 0.400 1 565 64 64 LYS HB2 H 1.361 0.020 2 566 64 64 LYS HB3 H 1.440 0.020 2 567 64 64 LYS CG C 26.138 0.400 1 568 64 64 LYS HG2 H 0.581 0.020 2 569 64 64 LYS HG3 H 0.705 0.020 2 570 64 64 LYS CD C 29.202 0.400 1 571 64 64 LYS HD2 H 1.455 0.020 2 572 64 64 LYS HD3 H 1.524 0.020 2 573 64 64 LYS CE C 41.780 0.400 1 574 64 64 LYS HE2 H 2.743 0.020 2 575 64 64 LYS HE3 H 2.741 0.020 2 576 65 65 LYS N N 119.363 0.400 1 577 65 65 LYS H H 7.846 0.020 1 578 65 65 LYS CA C 59.936 0.400 1 579 65 65 LYS HA H 3.736 0.020 1 580 65 65 LYS CB C 31.715 0.400 1 581 65 65 LYS HB2 H 1.787 0.020 2 582 65 65 LYS HB3 H 1.735 0.020 2 583 65 65 LYS CG C 25.330 0.400 1 584 65 65 LYS HG2 H 1.445 0.020 2 585 65 65 LYS HG3 H 1.263 0.020 2 586 65 65 LYS CD C 28.780 0.400 1 587 65 65 LYS HD2 H 1.577 0.020 2 588 65 65 LYS HD3 H 1.580 0.020 2 589 65 65 LYS CE C 41.780 0.400 1 590 65 65 LYS HE2 H 2.881 0.020 2 591 65 65 LYS HE3 H 2.885 0.020 2 592 66 66 VAL N N 120.889 0.400 1 593 66 66 VAL H H 8.261 0.020 1 594 66 66 VAL CA C 65.201 0.400 1 595 66 66 VAL HA H 3.610 0.020 1 596 66 66 VAL CB C 31.971 0.400 1 597 66 66 VAL HB H 1.842 0.020 1 598 66 66 VAL HG1 H 1.116 0.020 2 599 66 66 VAL HG2 H 1.041 0.020 2 600 66 66 VAL CG1 C 21.650 0.400 1 601 66 66 VAL CG2 C 22.540 0.400 1 602 67 67 ALA N N 121.317 0.400 1 603 67 67 ALA H H 7.414 0.020 1 604 67 67 ALA CA C 55.500 0.400 1 605 67 67 ALA HA H 3.800 0.020 1 606 67 67 ALA HB H 1.370 0.020 1 607 67 67 ALA CB C 18.307 0.400 1 608 68 68 LYS N N 115.457 0.400 1 609 68 68 LYS H H 7.980 0.020 1 610 68 68 LYS CA C 60.078 0.400 1 611 68 68 LYS HA H 3.538 0.020 1 612 68 68 LYS CB C 32.096 0.400 1 613 68 68 LYS HB2 H 1.602 0.020 2 614 68 68 LYS HB3 H 1.292 0.020 2 615 68 68 LYS CG C 25.665 0.400 1 616 68 68 LYS HG2 H 1.367 0.020 2 617 68 68 LYS HG3 H 0.802 0.020 2 618 68 68 LYS CD C 28.780 0.400 1 619 68 68 LYS HD2 H 1.225 0.020 2 620 68 68 LYS HD3 H 1.226 0.020 2 621 68 68 LYS CE C 40.796 0.400 1 622 68 68 LYS HE2 H 2.225 0.020 2 623 68 68 LYS HE3 H 1.987 0.020 2 624 69 69 ALA N N 119.816 0.400 1 625 69 69 ALA H H 7.521 0.020 1 626 69 69 ALA CA C 55.246 0.400 1 627 69 69 ALA HA H 3.868 0.020 1 628 69 69 ALA HB H 1.384 0.020 1 629 69 69 ALA CB C 17.663 0.400 1 630 70 70 TYR N N 115.273 0.400 1 631 70 70 TYR H H 8.334 0.020 1 632 70 70 TYR CA C 61.488 0.400 1 633 70 70 TYR HA H 4.398 0.020 1 634 70 70 TYR CB C 37.489 0.400 1 635 70 70 TYR HB2 H 2.984 0.020 2 636 70 70 TYR HB3 H 3.319 0.020 2 637 70 70 TYR CD1 C 132.797 0.400 1 638 70 70 TYR HD1 H 7.329 0.020 1 639 70 70 TYR CE1 C 117.885 0.400 1 640 70 70 TYR HE1 H 6.802 0.020 1 641 70 70 TYR CE2 C 117.910 0.400 1 642 70 70 TYR HE2 H 6.802 0.020 1 643 70 70 TYR CD2 C 132.996 0.400 1 644 70 70 TYR HD2 H 7.329 0.020 1 645 71 71 ALA N N 126.458 0.400 1 646 71 71 ALA H H 8.128 0.020 1 647 71 71 ALA CA C 55.371 0.400 1 648 71 71 ALA HA H 3.966 0.020 1 649 71 71 ALA HB H 1.520 0.020 1 650 71 71 ALA CB C 16.945 0.400 1 651 72 72 ALA N N 118.235 0.400 1 652 72 72 ALA H H 8.347 0.020 1 653 72 72 ALA CA C 54.316 0.400 1 654 72 72 ALA HA H 3.961 0.020 1 655 72 72 ALA HB H 1.493 0.020 1 656 72 72 ALA CB C 17.662 0.400 1 657 73 73 LEU N N 117.616 0.400 1 658 73 73 LEU H H 8.575 0.020 1 659 73 73 LEU CA C 57.607 0.400 1 660 73 73 LEU HA H 3.912 0.020 1 661 73 73 LEU CB C 42.296 0.400 1 662 73 73 LEU HB2 H 1.753 0.020 2 663 73 73 LEU HB3 H 1.671 0.020 2 664 73 73 LEU CG C 26.718 0.400 1 665 73 73 LEU HG H 1.618 0.020 1 666 73 73 LEU HD1 H 0.775 0.020 2 667 73 73 LEU HD2 H 0.839 0.020 2 668 73 73 LEU CD1 C 24.276 0.400 1 669 73 73 LEU CD2 C 24.715 0.400 1 670 74 74 ALA N N 121.011 0.400 1 671 74 74 ALA H H 7.800 0.020 1 672 74 74 ALA CA C 54.741 0.400 1 673 74 74 ALA HA H 4.149 0.020 1 674 74 74 ALA HB H 1.775 0.020 1 675 74 74 ALA CB C 17.662 0.400 1 676 75 75 ALA N N 121.317 0.400 1 677 75 75 ALA H H 7.359 0.020 1 678 75 75 ALA CA C 53.885 0.400 1 679 75 75 ALA HA H 2.052 0.020 1 680 75 75 ALA HB H 0.868 0.020 1 681 75 75 ALA CB C 19.181 0.400 1 682 76 76 LEU N N 118.141 0.400 1 683 76 76 LEU H H 8.543 0.020 1 684 76 76 LEU CA C 58.157 0.400 1 685 76 76 LEU HA H 3.940 0.020 1 686 76 76 LEU CB C 41.917 0.400 1 687 76 76 LEU HB2 H 1.946 0.020 2 688 76 76 LEU HB3 H 1.462 0.020 2 689 76 76 LEU CG C 26.770 0.400 1 690 76 76 LEU HG H 1.807 0.020 1 691 76 76 LEU HD1 H 0.880 0.020 2 692 76 76 LEU HD2 H 0.715 0.020 2 693 76 76 LEU CD1 C 26.000 0.400 1 694 76 76 LEU CD2 C 23.374 0.400 1 695 77 77 GLU N N 115.676 0.400 1 696 77 77 GLU H H 8.262 0.020 1 697 77 77 GLU CA C 58.493 0.400 1 698 77 77 GLU HA H 3.870 0.020 1 699 77 77 GLU CB C 29.431 0.400 1 700 77 77 GLU HB2 H 1.959 0.020 2 701 77 77 GLU HB3 H 2.067 0.020 2 702 77 77 GLU CG C 36.554 0.400 1 703 77 77 GLU HG2 H 2.218 0.020 2 704 77 77 GLU HG3 H 2.458 0.020 2 705 78 78 LYS N N 115.515 0.400 1 706 78 78 LYS H H 7.197 0.020 1 707 78 78 LYS CA C 56.847 0.400 1 708 78 78 LYS HA H 4.256 0.020 1 709 78 78 LYS CB C 33.269 0.400 1 710 78 78 LYS HB2 H 1.994 0.020 2 711 78 78 LYS HB3 H 1.870 0.020 2 712 78 78 LYS CG C 24.653 0.400 1 713 78 78 LYS HG2 H 1.701 0.020 2 714 78 78 LYS HG3 H 1.456 0.020 2 715 78 78 LYS CD C 28.247 0.400 1 716 78 78 LYS HD2 H 1.921 0.020 2 717 78 78 LYS HD3 H 1.783 0.020 2 718 78 78 LYS CE C 42.211 0.400 1 719 78 78 LYS HE2 H 3.090 0.020 2 720 78 78 LYS HE3 H 3.089 0.020 2 721 79 79 LEU N N 115.310 0.400 1 722 79 79 LEU H H 8.194 0.020 1 723 79 79 LEU CA C 55.458 0.400 1 724 79 79 LEU HA H 4.006 0.020 1 725 79 79 LEU CB C 42.761 0.400 1 726 79 79 LEU HB2 H 1.251 0.020 2 727 79 79 LEU HB3 H 0.375 0.020 2 728 79 79 LEU CG C 26.770 0.400 1 729 79 79 LEU HG H 1.475 0.020 1 730 79 79 LEU HD1 H 0.736 0.020 2 731 79 79 LEU HD2 H 0.784 0.020 2 732 79 79 LEU CD1 C 26.096 0.400 1 733 79 79 LEU CD2 C 21.774 0.400 1 734 80 80 PHE N N 116.554 0.400 1 735 80 80 PHE H H 7.864 0.020 1 736 80 80 PHE CA C 54.371 0.400 1 737 80 80 PHE HA H 5.049 0.020 1 738 80 80 PHE CB C 38.945 0.400 1 739 80 80 PHE HB2 H 3.178 0.020 2 740 80 80 PHE HB3 H 2.910 0.020 2 741 80 80 PHE CD1 C 132.978 0.400 1 742 80 80 PHE HD1 H 7.201 0.020 1 743 80 80 PHE CE1 C 130.379 0.400 1 744 80 80 PHE HE1 H 7.029 0.020 1 745 80 80 PHE CZ C 128.254 0.400 1 746 80 80 PHE HZ H 6.929 0.020 1 747 80 80 PHE CE2 C 130.600 0.400 1 748 80 80 PHE HE2 H 7.029 0.020 1 749 80 80 PHE CD2 C 132.928 0.400 1 750 80 80 PHE HD2 H 7.201 0.020 1 751 81 81 PRO CD C 50.056 0.400 1 752 81 81 PRO CA C 63.401 0.400 1 753 81 81 PRO HA H 4.414 0.020 1 754 81 81 PRO CB C 31.471 0.400 1 755 81 81 PRO HB2 H 2.293 0.020 2 756 81 81 PRO HB3 H 1.970 0.020 2 757 81 81 PRO CG C 27.140 0.400 1 758 81 81 PRO HG2 H 1.860 0.020 2 759 81 81 PRO HG3 H 1.920 0.020 2 760 81 81 PRO HD2 H 3.383 0.020 2 761 81 81 PRO HD3 H 3.156 0.020 2 762 82 82 ASP N N 120.095 0.400 1 763 82 82 ASP H H 8.541 0.020 1 764 82 82 ASP CA C 54.191 0.400 1 765 82 82 ASP HA H 4.619 0.020 1 766 82 82 ASP CB C 40.819 0.400 1 767 82 82 ASP HB2 H 2.685 0.020 2 768 82 82 ASP HB3 H 2.594 0.020 2 769 83 83 THR N N 116.492 0.400 1 770 83 83 THR H H 8.074 0.020 1 771 83 83 THR CA C 59.454 0.400 1 772 83 83 THR HA H 4.567 0.020 1 773 83 83 THR CB C 69.709 0.400 1 774 83 83 THR HB H 4.124 0.020 1 775 83 83 THR HG2 H 1.212 0.020 1 776 83 83 THR CG2 C 21.060 0.400 1 777 84 84 PRO CD C 50.773 0.400 1 778 84 84 PRO CA C 62.944 0.400 1 779 84 84 PRO HA H 4.367 0.020 1 780 84 84 PRO CB C 31.386 0.400 1 781 84 84 PRO HB2 H 2.254 0.020 2 782 84 84 PRO HB3 H 1.854 0.020 2 783 84 84 PRO CG C 27.140 0.400 1 784 84 84 PRO HG2 H 1.996 0.020 2 785 84 84 PRO HG3 H 1.949 0.020 2 786 84 84 PRO HD2 H 3.815 0.020 2 787 84 84 PRO HD3 H 3.673 0.020 2 788 85 85 LEU N N 122.416 0.400 1 789 85 85 LEU H H 8.307 0.020 1 790 85 85 LEU CA C 54.823 0.400 1 791 85 85 LEU HA H 4.259 0.020 1 792 85 85 LEU CB C 42.212 0.400 1 793 85 85 LEU HB2 H 1.513 0.020 2 794 85 85 LEU HB3 H 1.590 0.020 2 795 85 85 LEU CG C 26.770 0.400 1 796 85 85 LEU HG H 1.604 0.020 1 797 85 85 LEU HD1 H 0.889 0.020 2 798 85 85 LEU HD2 H 0.836 0.020 2 799 85 85 LEU CD1 C 24.730 0.400 1 800 85 85 LEU CD2 C 23.249 0.400 1 801 86 86 ALA N N 124.920 0.400 1 802 86 86 ALA H H 8.249 0.020 1 803 86 86 ALA CA C 51.913 0.400 1 804 86 86 ALA HA H 4.291 0.020 1 805 86 86 ALA HB H 1.340 0.020 1 806 86 86 ALA CB C 18.844 0.400 1 807 87 87 LEU N N 121.500 0.400 1 808 87 87 LEU H H 8.192 0.020 1 809 87 87 LEU CA C 54.993 0.400 1 810 87 87 LEU HA H 4.243 0.020 1 811 87 87 LEU CB C 42.156 0.400 1 812 87 87 LEU HB2 H 1.598 0.020 2 813 87 87 LEU HB3 H 1.532 0.020 2 814 87 87 LEU CG C 26.770 0.400 1 815 87 87 LEU HG H 1.609 0.020 1 816 87 87 LEU HD1 H 0.892 0.020 2 817 87 87 LEU HD2 H 0.843 0.020 2 818 87 87 LEU CD1 C 24.730 0.400 1 819 87 87 LEU CD2 C 23.404 0.400 1 820 88 88 ASP N N 120.584 0.400 1 821 88 88 ASP H H 8.249 0.020 1 822 88 88 ASP CA C 53.810 0.400 1 823 88 88 ASP HA H 4.531 0.020 1 824 88 88 ASP CB C 40.945 0.400 1 825 88 88 ASP HB2 H 2.665 0.020 2 826 88 88 ASP HB3 H 2.585 0.020 2 827 89 89 ALA N N 123.943 0.400 1 828 89 89 ALA H H 8.108 0.020 1 829 89 89 ALA CA C 52.504 0.400 1 830 89 89 ALA HA H 4.252 0.020 1 831 89 89 ALA HB H 1.355 0.020 1 832 89 89 ALA CB C 19.012 0.400 1 833 90 90 ASN N N 117.470 0.400 1 834 90 90 ASN H H 8.376 0.020 1 835 90 90 ASN CA C 53.214 0.400 1 836 90 90 ASN HA H 4.671 0.020 1 837 90 90 ASN CB C 38.593 0.400 1 838 90 90 ASN HB2 H 2.832 0.020 2 839 90 90 ASN HB3 H 2.714 0.020 2 840 90 90 ASN ND2 N 113.245 0.400 1 841 90 90 ASN HD21 H 7.632 0.020 2 842 90 90 ASN HD22 H 6.890 0.020 2 843 91 91 LYS N N 126.141 0.400 1 844 91 91 LYS H H 7.717 0.020 1 845 91 91 LYS CA C 57.532 0.400 1 846 91 91 LYS HA H 4.102 0.020 1 847 91 91 LYS CB C 33.330 0.400 1 848 91 91 LYS HB2 H 1.792 0.020 2 849 91 91 LYS HB3 H 1.687 0.020 2 850 91 91 LYS CG C 24.403 0.400 1 851 91 91 LYS HG2 H 1.350 0.020 2 852 91 91 LYS HG3 H 1.350 0.020 2 853 91 91 LYS CD C 28.938 0.400 1 854 91 91 LYS HD2 H 1.637 0.020 2 855 91 91 LYS HD3 H 1.636 0.020 2 856 91 91 LYS CE C 41.863 0.400 1 857 91 91 LYS HE2 H 2.965 0.020 2 858 91 91 LYS HE3 H 2.965 0.020 2 stop_ save_