data_15246_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15246 _Entry.PDB_ID 2JPI _Entry.NMR_STAR_version 3.0.9.100 save_ save_delta_chem_shifts_single _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single _Entity_delta_chem_shifts.Conformer_type "single" _Entity_delta_chem_shifts.Conformer_count 20 _Entity_delta_chem_shifts.Best_conformer 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 11 . 1 1 1 A 24 24 PHE H H 2 8.940 8.393 0.547 1 1 12 . 1 1 1 A 24 24 PHE HA H 2 4.540 5.086 -0.546 1 1 17 . 1 1 1 A 24 24 PHE C C 2 173.640 175.372 -1.732 1 1 18 . 1 1 1 A 24 24 PHE CA C 2 58.262 57.449 0.813 1 1 19 . 1 1 1 A 24 24 PHE CB C 2 40.639 41.392 -0.753 1 1 20 . 1 1 1 A 24 24 PHE N N 2 121.410 123.948 -2.538 1 1 21 . 1 1 1 A 25 25 ARG H H 3 8.559 9.024 -0.465 1 1 22 . 1 1 1 A 25 25 ARG HA H 3 5.932 5.160 0.772 1 1 29 . 1 1 1 A 25 25 ARG C C 3 175.870 174.275 1.595 1 1 30 . 1 1 1 A 25 25 ARG CA C 3 53.965 55.165 -1.200 1 1 31 . 1 1 1 A 25 25 ARG CB C 3 34.959 33.630 1.329 1 1 34 . 1 1 1 A 25 25 ARG N N 3 123.288 121.109 2.179 1 1 35 . 1 1 1 A 26 26 SER H H 4 9.096 8.976 0.120 1 1 36 . 1 1 1 A 26 26 SER HA H 4 5.306 5.563 -0.257 1 1 39 . 1 1 1 A 26 26 SER C C 4 173.230 172.823 0.407 1 1 40 . 1 1 1 A 26 26 SER CA C 4 56.908 56.397 0.511 1 1 41 . 1 1 1 A 26 26 SER CB C 4 66.846 66.690 0.156 1 1 42 . 1 1 1 A 26 26 SER N N 4 120.152 119.758 0.394 1 1 43 . 1 1 1 A 27 27 THR H H 5 8.889 8.943 -0.054 1 1 44 . 1 1 1 A 27 27 THR HA H 5 6.172 5.588 0.584 1 1 49 . 1 1 1 A 27 27 THR C C 5 173.740 172.205 1.535 1 1 50 . 1 1 1 A 27 27 THR CA C 5 59.621 60.815 -1.194 1 1 51 . 1 1 1 A 27 27 THR CB C 5 75.444 71.538 3.906 1 1 53 . 1 1 1 A 27 27 THR N N 5 112.196 114.769 -2.573 1 1 54 . 1 1 1 A 28 28 SER H H 6 8.945 9.071 -0.126 1 1 55 . 1 1 1 A 28 28 SER HA H 6 4.643 5.500 -0.857 1 1 58 . 1 1 1 A 28 28 SER C C 6 173.400 172.811 0.589 1 1 59 . 1 1 1 A 28 28 SER CA C 6 57.727 56.919 0.808 1 1 60 . 1 1 1 A 28 28 SER CB C 6 65.115 64.450 0.665 1 1 61 . 1 1 1 A 28 28 SER N N 6 115.468 122.102 -6.634 1 1 62 . 1 1 1 A 29 29 HIS H H 7 8.713 8.989 -0.276 1 1 63 . 1 1 1 A 29 29 HIS HA H 7 5.046 5.462 -0.416 1 1 67 . 1 1 1 A 29 29 HIS C C 7 175.330 173.742 1.588 1 1 68 . 1 1 1 A 29 29 HIS CA C 7 55.507 54.046 1.461 1 1 69 . 1 1 1 A 29 29 HIS CB C 7 31.214 32.553 -1.339 1 1 70 . 1 1 1 A 29 29 HIS N N 7 130.131 127.959 2.172 1 1 71 . 1 1 1 A 30 30 VAL H H 8 9.318 8.627 0.691 1 1 72 . 1 1 1 A 30 30 VAL HA H 8 4.431 4.821 -0.390 1 1 80 . 1 1 1 A 30 30 VAL C C 8 175.620 174.819 0.801 1 1 81 . 1 1 1 A 30 30 VAL CA C 8 61.142 60.302 0.840 1 1 82 . 1 1 1 A 30 30 VAL CB C 8 33.063 35.767 -2.704 1 1 85 . 1 1 1 A 30 30 VAL N N 8 128.679 126.426 2.253 1 1 86 . 1 1 1 A 31 31 ARG H H 9 9.212 8.652 0.560 1 1 87 . 1 1 1 A 31 31 ARG HA H 9 4.517 4.996 -0.479 1 1 94 . 1 1 1 A 31 31 ARG C C 9 176.520 175.977 0.543 1 1 95 . 1 1 1 A 31 31 ARG CA C 9 57.458 55.388 2.070 1 1 96 . 1 1 1 A 31 31 ARG CB C 9 29.842 30.904 -1.062 1 1 99 . 1 1 1 A 31 31 ARG N N 9 128.640 125.865 2.775 1 1 100 . 1 1 1 A 32 32 THR H H 10 7.941 8.917 -0.976 1 1 101 . 1 1 1 A 32 32 THR HA H 10 4.627 5.052 -0.425 1 1 105 . 1 1 1 A 32 32 THR C C 10 172.560 172.910 -0.350 1 1 106 . 1 1 1 A 32 32 THR CA C 10 61.473 60.365 1.108 1 1 107 . 1 1 1 A 32 32 THR CB C 10 66.191 73.023 -6.832 1 1 109 . 1 1 1 A 32 32 THR N N 10 120.036 118.684 1.352 1 1 110 . 1 1 1 A 33 33 GLU H H 11 9.022 8.934 0.088 1 1 111 . 1 1 1 A 33 33 GLU HA H 11 4.731 4.803 -0.072 1 1 116 . 1 1 1 A 33 33 GLU C C 11 177.810 176.819 0.991 1 1 117 . 1 1 1 A 33 33 GLU CA C 11 57.466 55.350 2.116 1 1 118 . 1 1 1 A 33 33 GLU CB C 11 30.044 31.841 -1.797 1 1 120 . 1 1 1 A 33 33 GLU N N 11 126.859 124.234 2.625 1 1 121 . 1 1 1 A 34 34 SER H H 12 8.930 9.276 -0.346 1 1 122 . 1 1 1 A 34 34 SER HA H 12 4.795 4.088 0.707 1 1 125 . 1 1 1 A 34 34 SER C C 12 173.360 174.458 -1.098 1 1 126 . 1 1 1 A 34 34 SER CA C 12 56.842 58.985 -2.143 1 1 127 . 1 1 1 A 34 34 SER CB C 12 63.756 62.553 1.203 1 1 128 . 1 1 1 A 34 34 SER N N 12 119.717 118.515 1.202 1 1 129 . 1 1 1 A 35 35 ALA H H 13 8.756 7.723 1.033 1 1 130 . 1 1 1 A 35 35 ALA HA H 13 3.542 3.800 -0.258 1 1 134 . 1 1 1 A 35 35 ALA C C 13 178.560 179.081 -0.521 1 1 135 . 1 1 1 A 35 35 ALA CA C 13 56.288 55.071 1.217 1 1 136 . 1 1 1 A 35 35 ALA CB C 13 21.558 18.722 2.836 1 1 137 . 1 1 1 A 35 35 ALA N N 13 121.856 122.628 -0.772 1 1 138 . 1 1 1 A 36 36 ALA H H 14 8.442 8.084 0.358 1 1 139 . 1 1 1 A 36 36 ALA HA H 14 3.691 4.196 -0.505 1 1 143 . 1 1 1 A 36 36 ALA C C 14 179.900 179.610 0.290 1 1 144 . 1 1 1 A 36 36 ALA CA C 14 55.754 54.760 0.994 1 1 145 . 1 1 1 A 36 36 ALA CB C 14 17.368 18.265 -0.897 1 1 146 . 1 1 1 A 36 36 ALA N N 14 117.191 119.539 -2.348 1 1 147 . 1 1 1 A 37 37 ARG H H 15 7.513 7.281 0.232 1 1 148 . 1 1 1 A 37 37 ARG HA H 15 4.097 4.074 0.023 1 1 155 . 1 1 1 A 37 37 ARG C C 15 178.720 178.572 0.148 1 1 156 . 1 1 1 A 37 37 ARG CA C 15 58.699 58.689 0.010 1 1 157 . 1 1 1 A 37 37 ARG CB C 15 30.024 29.893 0.131 1 1 160 . 1 1 1 A 37 37 ARG N N 15 118.952 118.844 0.108 1 1 161 . 1 1 1 A 38 38 TYR H H 16 7.632 7.901 -0.269 1 1 162 . 1 1 1 A 38 38 TYR HA H 16 4.433 4.278 0.155 1 1 166 . 1 1 1 A 38 38 TYR C C 16 178.110 178.246 -0.136 1 1 167 . 1 1 1 A 38 38 TYR CA C 16 58.473 60.939 -2.466 1 1 168 . 1 1 1 A 38 38 TYR CB C 16 36.286 37.582 -1.296 1 1 169 . 1 1 1 A 38 38 TYR N N 16 118.516 119.284 -0.768 1 1 170 . 1 1 1 A 39 39 VAL H H 17 8.680 7.588 1.092 1 1 171 . 1 1 1 A 39 39 VAL HA H 17 3.491 3.696 -0.205 1 1 179 . 1 1 1 A 39 39 VAL C C 17 177.450 178.163 -0.713 1 1 180 . 1 1 1 A 39 39 VAL CA C 17 68.093 66.332 1.761 1 1 181 . 1 1 1 A 39 39 VAL CB C 17 31.943 31.734 0.209 1 1 184 . 1 1 1 A 39 39 VAL N N 17 119.126 120.396 -1.270 1 1 185 . 1 1 1 A 40 40 ASN H H 18 7.813 7.985 -0.172 1 1 186 . 1 1 1 A 40 40 ASN HA H 18 4.280 4.484 -0.204 1 1 189 . 1 1 1 A 40 40 ASN C C 18 177.190 178.116 -0.926 1 1 190 . 1 1 1 A 40 40 ASN CA C 18 57.525 56.505 1.020 1 1 191 . 1 1 1 A 40 40 ASN CB C 18 39.474 37.806 1.668 1 1 192 . 1 1 1 A 40 40 ASN N N 18 118.013 117.328 0.685 1 1 193 . 1 1 1 A 41 41 ARG H H 19 8.425 8.148 0.277 1 1 194 . 1 1 1 A 41 41 ARG HA H 19 4.010 4.112 -0.102 1 1 201 . 1 1 1 A 41 41 ARG C C 19 180.050 179.044 1.006 1 1 202 . 1 1 1 A 41 41 ARG CA C 19 59.734 58.631 1.103 1 1 203 . 1 1 1 A 41 41 ARG CB C 19 30.877 29.806 1.071 1 1 206 . 1 1 1 A 41 41 ARG N N 19 116.687 120.748 -4.061 1 1 207 . 1 1 1 A 42 42 LEU H H 20 8.731 7.976 0.755 1 1 208 . 1 1 1 A 42 42 LEU HA H 20 3.904 3.961 -0.057 1 1 218 . 1 1 1 A 42 42 LEU C C 20 178.690 178.837 -0.147 1 1 219 . 1 1 1 A 42 42 LEU CA C 20 58.238 57.763 0.475 1 1 220 . 1 1 1 A 42 42 LEU CB C 20 41.659 41.723 -0.064 1 1 224 . 1 1 1 A 42 42 LEU N N 20 120.849 119.917 0.932 1 1 225 . 1 1 1 A 43 43 CYS H H 21 8.241 8.270 -0.029 1 1 226 . 1 1 1 A 43 43 CYS HA H 21 4.268 4.067 0.201 1 1 229 . 1 1 1 A 43 43 CYS C C 21 177.530 176.664 0.866 1 1 230 . 1 1 1 A 43 43 CYS CA C 21 65.374 63.287 2.087 1 1 231 . 1 1 1 A 43 43 CYS CB C 21 27.962 27.134 0.828 1 1 232 . 1 1 1 A 43 43 CYS N N 21 115.952 116.854 -0.902 1 1 233 . 1 1 1 A 44 44 LYS H H 22 8.364 7.668 0.696 1 1 234 . 1 1 1 A 44 44 LYS HA H 22 4.091 4.211 -0.120 1 1 243 . 1 1 1 A 44 44 LYS C C 22 179.020 178.608 0.412 1 1 244 . 1 1 1 A 44 44 LYS CA C 22 59.004 57.469 1.535 1 1 245 . 1 1 1 A 44 44 LYS CB C 22 31.921 32.635 -0.714 1 1 249 . 1 1 1 A 44 44 LYS N N 22 119.823 119.476 0.347 1 1 250 . 1 1 1 A 45 45 HIS H H 23 8.036 8.063 -0.027 1 1 251 . 1 1 1 A 45 45 HIS HA H 23 4.408 3.998 0.410 1 1 255 . 1 1 1 A 45 45 HIS C C 23 177.870 176.813 1.057 1 1 256 . 1 1 1 A 45 45 HIS CA C 23 60.404 59.160 1.244 1 1 257 . 1 1 1 A 45 45 HIS CB C 23 30.954 30.287 0.667 1 1 258 . 1 1 1 A 45 45 HIS N N 23 118.729 120.745 -2.016 1 1 259 . 1 1 1 A 46 46 TRP H H 24 8.426 8.389 0.037 1 1 260 . 1 1 1 A 46 46 TRP HA H 24 4.903 4.630 0.273 1 1 265 . 1 1 1 A 46 46 TRP C C 24 177.900 177.514 0.386 1 1 266 . 1 1 1 A 46 46 TRP CA C 24 58.973 59.191 -0.218 1 1 267 . 1 1 1 A 46 46 TRP CB C 24 29.328 29.490 -0.162 1 1 268 . 1 1 1 A 46 46 TRP N N 24 117.297 116.309 0.988 1 1 270 . 1 1 1 A 47 47 GLY H H 25 8.254 8.373 -0.119 1 1 271 . 1 1 1 A 47 47 GLY HA2 H 25 4.362 4.004 0.358 1 1 272 . 1 1 1 A 47 47 GLY HA3 H 25 3.936 4.064 -0.128 1 1 273 . 1 1 1 A 47 47 GLY CA C 25 46.812 47.379 -0.567 1 1 274 . 1 1 1 A 47 47 GLY N N 25 108.683 108.479 0.204 1 1 275 . 1 1 1 A 48 48 HIS C C 26 176.030 175.355 0.675 1 1 276 . 1 1 1 A 48 48 HIS CA C 26 58.358 57.516 0.842 1 1 277 . 1 1 1 A 48 48 HIS CB C 26 30.438 30.993 -0.555 1 1 278 . 1 1 1 A 49 49 LYS H H 27 7.544 7.960 -0.416 1 1 279 . 1 1 1 A 49 49 LYS HA H 27 4.236 4.369 -0.133 1 1 288 . 1 1 1 A 49 49 LYS C C 27 174.880 174.430 0.450 1 1 289 . 1 1 1 A 49 49 LYS CA C 27 56.572 55.320 1.252 1 1 290 . 1 1 1 A 49 49 LYS CB C 27 35.793 33.930 1.863 1 1 294 . 1 1 1 A 49 49 LYS N N 27 117.278 119.573 -2.295 1 1 295 . 1 1 1 A 50 50 PHE H H 28 8.178 7.675 0.503 1 1 296 . 1 1 1 A 50 50 PHE HA H 28 5.016 5.067 -0.051 1 1 301 . 1 1 1 A 50 50 PHE C C 28 174.190 174.676 -0.486 1 1 302 . 1 1 1 A 50 50 PHE CA C 28 55.756 56.445 -0.689 1 1 303 . 1 1 1 A 50 50 PHE CB C 28 41.140 43.363 -2.223 1 1 304 . 1 1 1 A 50 50 PHE N N 28 118.846 119.051 -0.205 1 1 305 . 1 1 1 A 51 51 GLU H H 29 7.812 8.500 -0.688 1 1 306 . 1 1 1 A 51 51 GLU HA H 29 4.449 4.672 -0.223 1 1 311 . 1 1 1 A 51 51 GLU C C 29 175.570 175.907 -0.337 1 1 312 . 1 1 1 A 51 51 GLU CA C 29 56.852 55.944 0.908 1 1 313 . 1 1 1 A 51 51 GLU CB C 29 30.207 30.176 0.031 1 1 315 . 1 1 1 A 51 51 GLU N N 29 120.355 120.555 -0.200 1 1 316 . 1 1 1 A 52 52 VAL H H 30 8.395 8.978 -0.583 1 1 317 . 1 1 1 A 52 52 VAL HA H 30 5.383 5.487 -0.104 1 1 325 . 1 1 1 A 52 52 VAL C C 30 175.850 174.494 1.356 1 1 326 . 1 1 1 A 52 52 VAL CA C 30 59.969 60.467 -0.498 1 1 327 . 1 1 1 A 52 52 VAL CB C 30 36.173 34.201 1.972 1 1 330 . 1 1 1 A 52 52 VAL N N 30 124.120 121.078 3.042 1 1 331 . 1 1 1 A 53 53 GLU H H 31 9.289 9.262 0.027 1 1 332 . 1 1 1 A 53 53 GLU HA H 31 4.717 4.924 -0.207 1 1 337 . 1 1 1 A 53 53 GLU C C 31 174.370 175.025 -0.655 1 1 338 . 1 1 1 A 53 53 GLU CA C 31 55.415 55.964 -0.549 1 1 339 . 1 1 1 A 53 53 GLU CB C 31 33.211 31.657 1.554 1 1 341 . 1 1 1 A 53 53 GLU N N 31 126.346 128.082 -1.736 1 1 342 . 1 1 1 A 54 54 LEU H H 32 8.763 8.936 -0.173 1 1 343 . 1 1 1 A 54 54 LEU HA H 32 5.375 5.073 0.302 1 1 353 . 1 1 1 A 54 54 LEU C C 32 175.100 175.513 -0.413 1 1 354 . 1 1 1 A 54 54 LEU CA C 32 55.010 53.788 1.222 1 1 355 . 1 1 1 A 54 54 LEU CB C 32 45.485 44.570 0.915 1 1 359 . 1 1 1 A 54 54 LEU N N 32 126.898 126.481 0.417 1 1 360 . 1 1 1 A 55 55 THR H H 33 9.159 8.087 1.072 1 1 361 . 1 1 1 A 55 55 THR HA H 33 4.886 5.057 -0.171 1 1 366 . 1 1 1 A 55 55 THR CA C 33 59.489 58.718 0.771 1 1 367 . 1 1 1 A 55 55 THR CB C 33 69.241 70.077 -0.836 1 1 369 . 1 1 1 A 55 55 THR N N 33 121.246 116.753 4.493 1 1 370 . 1 1 1 A 56 56 PRO HA H 34 4.269 4.578 -0.309 1 1 377 . 1 1 1 A 56 56 PRO C C 34 177.750 175.738 2.012 1 1 378 . 1 1 1 A 56 56 PRO CA C 34 65.968 62.901 3.067 1 1 379 . 1 1 1 A 56 56 PRO CB C 34 31.786 29.875 1.911 1 1 382 . 1 1 1 A 57 57 GLU H H 35 8.148 8.307 -0.159 1 1 383 . 1 1 1 A 57 57 GLU HA H 35 4.351 4.520 -0.169 1 1 388 . 1 1 1 A 57 57 GLU C C 35 175.720 175.881 -0.161 1 1 389 . 1 1 1 A 57 57 GLU CA C 35 57.085 56.770 0.315 1 1 390 . 1 1 1 A 57 57 GLU CB C 35 30.299 32.415 -2.116 1 1 392 . 1 1 1 A 57 57 GLU N N 35 112.303 120.416 -8.113 1 1 393 . 1 1 1 A 58 58 ARG H H 36 7.777 7.832 -0.055 1 1 394 . 1 1 1 A 58 58 ARG HA H 36 5.418 5.150 0.268 1 1 401 . 1 1 1 A 58 58 ARG C C 36 173.610 173.976 -0.366 1 1 402 . 1 1 1 A 58 58 ARG CA C 36 55.576 55.000 0.576 1 1 403 . 1 1 1 A 58 58 ARG CB C 36 33.324 32.606 0.718 1 1 406 . 1 1 1 A 58 58 ARG N N 36 122.018 115.006 7.012 1 1 407 . 1 1 1 A 59 59 GLY H H 37 9.650 8.747 0.903 1 1 408 . 1 1 1 A 59 59 GLY HA2 H 37 5.484 4.247 1.237 1 1 409 . 1 1 1 A 59 59 GLY HA3 H 37 3.554 4.253 -0.699 1 1 410 . 1 1 1 A 59 59 GLY C C 37 171.630 171.939 -0.309 1 1 411 . 1 1 1 A 59 59 GLY CA C 37 44.563 44.561 0.002 1 1 412 . 1 1 1 A 59 59 GLY N N 37 113.745 106.890 6.855 1 1 413 . 1 1 1 A 60 60 PHE H H 38 9.138 8.931 0.207 1 1 414 . 1 1 1 A 60 60 PHE HA H 38 5.472 5.111 0.361 1 1 419 . 1 1 1 A 60 60 PHE C C 38 173.180 174.158 -0.978 1 1 420 . 1 1 1 A 60 60 PHE CA C 38 57.234 56.318 0.916 1 1 421 . 1 1 1 A 60 60 PHE CB C 38 43.107 41.218 1.889 1 1 422 . 1 1 1 A 60 60 PHE N N 38 124.144 125.963 -1.819 1 1 423 . 1 1 1 A 61 61 ILE H H 39 8.618 8.460 0.158 1 1 424 . 1 1 1 A 61 61 ILE HA H 39 4.226 4.786 -0.560 1 1 434 . 1 1 1 A 61 61 ILE C C 39 172.950 174.082 -1.132 1 1 435 . 1 1 1 A 61 61 ILE CA C 39 60.357 60.420 -0.063 1 1 436 . 1 1 1 A 61 61 ILE CB C 39 41.488 39.772 1.716 1 1 440 . 1 1 1 A 61 61 ILE N N 39 126.753 127.270 -0.517 1 1 441 . 1 1 1 A 62 62 ASP H H 40 8.192 7.877 0.315 1 1 442 . 1 1 1 A 62 62 ASP HA H 40 4.464 5.175 -0.711 1 1 445 . 1 1 1 A 62 62 ASP C C 40 176.240 176.293 -0.053 1 1 446 . 1 1 1 A 62 62 ASP CA C 40 52.208 52.237 -0.029 1 1 447 . 1 1 1 A 62 62 ASP CB C 40 41.489 41.956 -0.467 1 1 448 . 1 1 1 A 62 62 ASP N N 40 124.314 127.923 -3.609 1 1 449 . 1 1 1 A 63 63 PHE H H 41 8.165 9.005 -0.840 1 1 450 . 1 1 1 A 63 63 PHE HA H 41 4.007 4.657 -0.650 1 1 454 . 1 1 1 A 63 63 PHE C C 41 175.640 175.793 -0.153 1 1 455 . 1 1 1 A 63 63 PHE CA C 41 58.407 57.815 0.592 1 1 456 . 1 1 1 A 63 63 PHE CB C 41 38.486 39.161 -0.675 1 1 457 . 1 1 1 A 63 63 PHE N N 41 123.395 121.467 1.928 1 1 458 . 1 1 1 A 64 64 GLY H H 42 9.003 7.900 1.103 1 1 459 . 1 1 1 A 64 64 GLY HA2 H 42 4.675 4.063 0.612 1 1 460 . 1 1 1 A 64 64 GLY HA3 H 42 3.484 4.090 -0.606 1 1 461 . 1 1 1 A 64 64 GLY CA C 42 45.938 45.995 -0.057 1 1 462 . 1 1 1 A 64 64 GLY N N 42 112.196 107.139 5.057 1 1 463 . 1 1 1 A 65 65 ASP HA H 43 4.675 4.786 -0.111 1 1 466 . 1 1 1 A 65 65 ASP C C 43 176.170 174.667 1.503 1 1 467 . 1 1 1 A 65 65 ASP CA C 43 55.415 53.746 1.669 1 1 468 . 1 1 1 A 65 65 ASP CB C 43 41.379 40.017 1.362 1 1 469 . 1 1 1 A 66 66 SER H H 44 7.743 7.744 -0.001 1 1 470 . 1 1 1 A 66 66 SER HA H 44 5.292 5.018 0.274 1 1 473 . 1 1 1 A 66 66 SER C C 44 172.190 172.052 0.138 1 1 474 . 1 1 1 A 66 66 SER CA C 44 57.890 57.551 0.339 1 1 475 . 1 1 1 A 66 66 SER CB C 44 66.054 65.483 0.571 1 1 476 . 1 1 1 A 66 66 SER N N 44 112.796 111.913 0.883 1 1 477 . 1 1 1 A 67 67 ASN H H 45 9.075 8.780 0.295 1 1 478 . 1 1 1 A 67 67 ASN HA H 45 5.126 5.167 -0.041 1 1 481 . 1 1 1 A 67 67 ASN C C 45 172.300 173.516 -1.216 1 1 482 . 1 1 1 A 67 67 ASN CA C 45 52.997 52.455 0.542 1 1 483 . 1 1 1 A 67 67 ASN CB C 45 42.047 42.980 -0.933 1 1 484 . 1 1 1 A 67 67 ASN N N 45 114.955 117.086 -2.131 1 1 485 . 1 1 1 A 68 68 CYS H H 46 8.757 8.167 0.590 1 1 486 . 1 1 1 A 68 68 CYS HA H 46 5.652 4.977 0.675 1 1 489 . 1 1 1 A 68 68 CYS C C 46 170.650 172.829 -2.179 1 1 490 . 1 1 1 A 68 68 CYS CA C 46 56.668 58.398 -1.730 1 1 491 . 1 1 1 A 68 68 CYS CB C 46 31.195 29.295 1.900 1 1 492 . 1 1 1 A 68 68 CYS N N 46 119.184 119.861 -0.677 1 1 493 . 1 1 1 A 69 69 GLU H H 47 9.587 9.582 0.005 1 1 494 . 1 1 1 A 69 69 GLU HA H 47 5.283 5.558 -0.275 1 1 499 . 1 1 1 A 69 69 GLU C C 47 174.190 174.866 -0.676 1 1 500 . 1 1 1 A 69 69 GLU CA C 47 54.401 55.402 -1.001 1 1 501 . 1 1 1 A 69 69 GLU CB C 47 33.607 32.603 1.004 1 1 503 . 1 1 1 A 69 69 GLU N N 47 131.612 128.869 2.743 1 1 504 . 1 1 1 A 70 70 LEU H H 48 9.523 8.564 0.959 1 1 505 . 1 1 1 A 70 70 LEU HA H 48 5.314 5.001 0.313 1 1 515 . 1 1 1 A 70 70 LEU C C 48 174.730 174.053 0.677 1 1 516 . 1 1 1 A 70 70 LEU CA C 48 53.570 54.213 -0.643 1 1 517 . 1 1 1 A 70 70 LEU CB C 48 46.109 45.454 0.655 1 1 521 . 1 1 1 A 70 70 LEU N N 48 125.069 125.272 -0.203 1 1 522 . 1 1 1 A 71 71 LEU H H 49 9.493 9.403 0.090 1 1 523 . 1 1 1 A 71 71 LEU HA H 49 5.001 5.190 -0.189 1 1 533 . 1 1 1 A 71 71 LEU C C 49 175.310 175.241 0.069 1 1 534 . 1 1 1 A 71 71 LEU CA C 49 53.809 54.181 -0.372 1 1 535 . 1 1 1 A 71 71 LEU CB C 49 42.880 44.126 -1.246 1 1 539 . 1 1 1 A 71 71 LEU N N 49 123.714 128.532 -4.818 1 1 540 . 1 1 1 A 72 72 ALA H H 50 8.255 8.233 0.022 1 1 541 . 1 1 1 A 72 72 ALA HA H 50 4.307 5.125 -0.818 1 1 545 . 1 1 1 A 72 72 ALA C C 50 174.800 175.255 -0.455 1 1 546 . 1 1 1 A 72 72 ALA CA C 50 51.618 51.432 0.186 1 1 547 . 1 1 1 A 72 72 ALA CB C 50 18.634 21.494 -2.860 1 1 548 . 1 1 1 A 72 72 ALA N N 50 125.398 128.228 -2.830 1 1 549 . 1 1 1 A 73 73 HIS H H 51 8.053 9.446 -1.393 1 1 550 . 1 1 1 A 73 73 HIS HA H 51 4.953 4.900 0.053 1 1 554 . 1 1 1 A 73 73 HIS CA C 51 54.682 53.882 0.800 1 1 555 . 1 1 1 A 73 73 HIS CB C 51 31.150 32.211 -1.061 1 1 556 . 1 1 1 A 73 73 HIS N N 51 123.172 124.172 -1.000 1 1 557 . 1 1 1 A 74 74 PRO HA H 52 4.385 4.125 0.260 1 1 564 . 1 1 1 A 74 74 PRO C C 52 176.370 176.874 -0.504 1 1 565 . 1 1 1 A 74 74 PRO CA C 52 65.625 64.978 0.647 1 1 566 . 1 1 1 A 74 74 PRO CB C 52 32.014 31.923 0.091 1 1 569 . 1 1 1 A 75 75 ASP H H 53 8.303 8.225 0.078 1 1 570 . 1 1 1 A 75 75 ASP HA H 53 4.955 5.400 -0.445 1 1 573 . 1 1 1 A 75 75 ASP C C 53 177.380 175.208 2.172 1 1 574 . 1 1 1 A 75 75 ASP CA C 53 52.034 53.334 -1.300 1 1 575 . 1 1 1 A 75 75 ASP CB C 53 41.826 43.026 -1.200 1 1 576 . 1 1 1 A 75 75 ASP N N 53 109.961 117.011 -7.050 1 1 577 . 1 1 1 A 76 76 HIS H H 54 7.379 7.292 0.087 1 1 578 . 1 1 1 A 76 76 HIS HA H 54 5.421 5.392 0.029 1 1 582 . 1 1 1 A 76 76 HIS C C 54 172.470 172.773 -0.303 1 1 583 . 1 1 1 A 76 76 HIS CA C 54 56.943 54.132 2.811 1 1 584 . 1 1 1 A 76 76 HIS CB C 54 29.909 33.743 -3.834 1 1 585 . 1 1 1 A 76 76 HIS N N 54 114.752 116.325 -1.573 1 1 586 . 1 1 1 A 77 77 VAL H H 55 8.933 8.402 0.531 1 1 587 . 1 1 1 A 77 77 VAL HA H 55 4.837 5.074 -0.237 1 1 595 . 1 1 1 A 77 77 VAL C C 55 173.420 173.897 -0.477 1 1 596 . 1 1 1 A 77 77 VAL CA C 55 59.429 59.822 -0.393 1 1 597 . 1 1 1 A 77 77 VAL CB C 55 35.121 35.625 -0.504 1 1 600 . 1 1 1 A 77 77 VAL N N 55 117.287 119.569 -2.282 1 1 601 . 1 1 1 A 78 78 LEU H H 56 9.004 9.598 -0.594 1 1 602 . 1 1 1 A 78 78 LEU HA H 56 5.466 5.354 0.112 1 1 612 . 1 1 1 A 78 78 LEU C C 56 175.140 175.684 -0.544 1 1 613 . 1 1 1 A 78 78 LEU CA C 56 53.084 53.844 -0.760 1 1 614 . 1 1 1 A 78 78 LEU CB C 56 44.499 45.580 -1.081 1 1 618 . 1 1 1 A 78 78 LEU N N 56 130.334 128.112 2.222 1 1 619 . 1 1 1 A 79 79 MET H H 57 9.381 8.827 0.554 1 1 620 . 1 1 1 A 79 79 MET HA H 57 5.678 5.276 0.402 1 1 625 . 1 1 1 A 79 79 MET C C 57 175.160 174.710 0.450 1 1 626 . 1 1 1 A 79 79 MET CA C 57 54.216 54.390 -0.174 1 1 627 . 1 1 1 A 79 79 MET CB C 57 37.309 35.125 2.184 1 1 629 . 1 1 1 A 79 79 MET N N 57 124.304 122.353 1.951 1 1 630 . 1 1 1 A 80 80 ILE H H 58 9.552 8.738 0.814 1 1 631 . 1 1 1 A 80 80 ILE HA H 58 4.957 5.153 -0.196 1 1 641 . 1 1 1 A 80 80 ILE C C 58 175.160 175.478 -0.318 1 1 642 . 1 1 1 A 80 80 ILE CA C 58 61.338 60.058 1.280 1 1 643 . 1 1 1 A 80 80 ILE CB C 58 41.092 41.414 -0.322 1 1 647 . 1 1 1 A 80 80 ILE N N 58 122.359 124.563 -2.204 1 1 648 . 1 1 1 A 81 81 LEU H H 59 9.549 8.636 0.913 1 1 649 . 1 1 1 A 81 81 LEU HA H 59 5.274 5.223 0.051 1 1 659 . 1 1 1 A 81 81 LEU C C 59 174.280 175.411 -1.131 1 1 660 . 1 1 1 A 81 81 LEU CA C 59 53.621 52.638 0.983 1 1 661 . 1 1 1 A 81 81 LEU CB C 59 46.837 45.615 1.222 1 1 665 . 1 1 1 A 81 81 LEU N N 59 131.901 124.756 7.145 1 1 666 . 1 1 1 A 82 82 ASN H H 60 8.516 8.514 0.002 1 1 667 . 1 1 1 A 82 82 ASN HA H 60 5.851 5.490 0.361 1 1 670 . 1 1 1 A 82 82 ASN C C 60 174.840 174.055 0.785 1 1 671 . 1 1 1 A 82 82 ASN CA C 60 52.549 52.081 0.468 1 1 672 . 1 1 1 A 82 82 ASN CB C 60 43.188 39.740 3.448 1 1 673 . 1 1 1 A 82 82 ASN N N 60 120.142 119.208 0.934 1 1 674 . 1 1 1 A 83 83 SER H H 61 9.176 8.479 0.697 1 1 675 . 1 1 1 A 83 83 SER HA H 61 5.295 4.877 0.418 1 1 678 . 1 1 1 A 83 83 SER CA C 61 57.388 55.590 1.798 1 1 679 . 1 1 1 A 83 83 SER CB C 61 68.052 66.112 1.940 1 1 680 . 1 1 1 A 83 83 SER N N 61 116.871 119.428 -2.557 1 1 681 . 1 1 1 A 84 84 PRO HA H 62 4.907 4.050 0.857 1 1 688 . 1 1 1 A 84 84 PRO C C 62 175.210 174.790 0.420 1 1 689 . 1 1 1 A 84 84 PRO CA C 62 64.539 63.644 0.895 1 1 690 . 1 1 1 A 84 84 PRO CB C 62 32.726 31.686 1.040 1 1 693 . 1 1 1 A 85 85 ASP H H 63 7.228 7.280 -0.052 1 1 694 . 1 1 1 A 85 85 ASP HA H 63 4.630 5.254 -0.624 1 1 697 . 1 1 1 A 85 85 ASP C C 63 174.540 176.442 -1.902 1 1 698 . 1 1 1 A 85 85 ASP CA C 63 53.119 52.837 0.282 1 1 699 . 1 1 1 A 85 85 ASP CB C 63 42.880 43.643 -0.763 1 1 700 . 1 1 1 A 85 85 ASP N N 63 112.313 112.980 -0.667 1 1 701 . 1 1 1 A 86 86 GLU H H 64 8.761 9.471 -0.710 1 1 702 . 1 1 1 A 86 86 GLU HA H 64 3.321 4.111 -0.790 1 1 707 . 1 1 1 A 86 86 GLU C C 64 178.440 178.609 -0.169 1 1 708 . 1 1 1 A 86 86 GLU CA C 64 59.937 59.660 0.277 1 1 709 . 1 1 1 A 86 86 GLU CB C 64 29.707 29.616 0.091 1 1 711 . 1 1 1 A 86 86 GLU N N 64 120.055 121.695 -1.640 1 1 712 . 1 1 1 A 87 87 ASP H H 65 8.332 8.376 -0.044 1 1 713 . 1 1 1 A 87 87 ASP HA H 65 4.414 4.303 0.111 1 1 716 . 1 1 1 A 87 87 ASP C C 65 179.400 178.027 1.373 1 1 717 . 1 1 1 A 87 87 ASP CA C 65 57.203 57.651 -0.448 1 1 718 . 1 1 1 A 87 87 ASP CB C 65 40.323 41.229 -0.906 1 1 719 . 1 1 1 A 87 87 ASP N N 65 121.933 120.520 1.413 1 1 720 . 1 1 1 A 88 88 SER H H 66 8.949 8.062 0.887 1 1 721 . 1 1 1 A 88 88 SER HA H 66 4.169 4.194 -0.025 1 1 724 . 1 1 1 A 88 88 SER C C 66 176.110 177.079 -0.969 1 1 725 . 1 1 1 A 88 88 SER CA C 66 62.032 61.625 0.407 1 1 726 . 1 1 1 A 88 88 SER CB C 66 62.178 63.090 -0.912 1 1 727 . 1 1 1 A 88 88 SER N N 66 119.726 113.798 5.928 1 1 728 . 1 1 1 A 89 89 LEU H H 67 7.737 8.820 -1.083 1 1 729 . 1 1 1 A 89 89 LEU HA H 67 4.017 4.416 -0.399 1 1 739 . 1 1 1 A 89 89 LEU C C 67 177.790 178.160 -0.370 1 1 740 . 1 1 1 A 89 89 LEU CA C 67 57.958 58.403 -0.445 1 1 741 . 1 1 1 A 89 89 LEU CB C 67 42.394 42.287 0.107 1 1 745 . 1 1 1 A 89 89 LEU N N 67 122.942 122.287 0.655 1 1 746 . 1 1 1 A 90 90 ALA H H 68 7.483 9.378 -1.895 1 1 747 . 1 1 1 A 90 90 ALA HA H 68 3.780 4.012 -0.232 1 1 751 . 1 1 1 A 90 90 ALA C C 68 180.410 179.403 1.007 1 1 752 . 1 1 1 A 90 90 ALA CA C 68 54.782 54.692 0.090 1 1 753 . 1 1 1 A 90 90 ALA CB C 68 17.857 18.457 -0.600 1 1 754 . 1 1 1 A 90 90 ALA N N 68 119.446 120.497 -1.051 1 1 755 . 1 1 1 A 91 91 HIS H H 69 7.707 8.170 -0.463 1 1 756 . 1 1 1 A 91 91 HIS HA H 69 4.377 3.978 0.399 1 1 760 . 1 1 1 A 91 91 HIS C C 69 177.865 177.111 0.754 1 1 761 . 1 1 1 A 91 91 HIS CA C 69 59.518 59.550 -0.032 1 1 762 . 1 1 1 A 91 91 HIS CB C 69 30.954 29.545 1.409 1 1 763 . 1 1 1 A 91 91 HIS N N 69 116.881 118.224 -1.343 1 1 764 . 1 1 1 A 92 92 MET H H 70 8.467 8.249 0.218 1 1 765 . 1 1 1 A 92 92 MET HA H 70 4.087 4.006 0.081 1 1 770 . 1 1 1 A 92 92 MET C C 70 178.390 178.041 0.349 1 1 771 . 1 1 1 A 92 92 MET CA C 70 55.584 58.639 -3.055 1 1 772 . 1 1 1 A 92 92 MET CB C 70 29.773 33.380 -3.607 1 1 774 . 1 1 1 A 92 92 MET N N 70 116.968 116.686 0.282 1 1 775 . 1 1 1 A 93 93 GLN H H 71 8.309 8.211 0.098 1 1 776 . 1 1 1 A 93 93 GLN HA H 71 2.874 4.010 -1.136 1 1 781 . 1 1 1 A 93 93 GLN C C 71 178.420 178.155 0.265 1 1 782 . 1 1 1 A 93 93 GLN CA C 71 58.852 58.501 0.351 1 1 783 . 1 1 1 A 93 93 GLN CB C 71 27.658 27.919 -0.261 1 1 785 . 1 1 1 A 93 93 GLN N N 71 120.665 117.193 3.472 1 1 786 . 1 1 1 A 94 94 ASN H H 72 6.899 8.287 -1.388 1 1 787 . 1 1 1 A 94 94 ASN HA H 72 4.596 4.410 0.186 1 1 790 . 1 1 1 A 94 94 ASN C C 72 177.380 177.461 -0.081 1 1 791 . 1 1 1 A 94 94 ASN CA C 72 56.037 55.811 0.226 1 1 792 . 1 1 1 A 94 94 ASN CB C 72 38.219 38.718 -0.499 1 1 793 . 1 1 1 A 94 94 ASN N N 72 116.271 118.975 -2.704 1 1 794 . 1 1 1 A 95 95 VAL H H 73 8.050 7.682 0.368 1 1 795 . 1 1 1 A 95 95 VAL HA H 73 3.983 3.528 0.455 1 1 803 . 1 1 1 A 95 95 VAL C C 73 180.050 178.248 1.802 1 1 804 . 1 1 1 A 95 95 VAL CA C 73 66.515 66.052 0.463 1 1 805 . 1 1 1 A 95 95 VAL CB C 73 32.587 31.436 1.151 1 1 808 . 1 1 1 A 95 95 VAL N N 73 121.798 119.141 2.657 1 1 809 . 1 1 1 A 96 96 VAL H H 74 9.082 7.679 1.403 1 1 810 . 1 1 1 A 96 96 VAL HA H 74 3.986 2.908 1.078 1 1 818 . 1 1 1 A 96 96 VAL C C 74 177.490 177.963 -0.473 1 1 819 . 1 1 1 A 96 96 VAL CA C 74 67.947 66.068 1.879 1 1 820 . 1 1 1 A 96 96 VAL CB C 74 31.966 31.323 0.643 1 1 823 . 1 1 1 A 96 96 VAL N N 74 120.549 120.648 -0.099 1 1 824 . 1 1 1 A 97 97 ALA H H 75 8.285 7.746 0.539 1 1 825 . 1 1 1 A 97 97 ALA HA H 75 4.108 3.966 0.142 1 1 829 . 1 1 1 A 97 97 ALA C C 75 179.320 179.352 -0.032 1 1 830 . 1 1 1 A 97 97 ALA CA C 75 56.117 54.924 1.193 1 1 831 . 1 1 1 A 97 97 ALA CB C 75 19.867 18.487 1.380 1 1 832 . 1 1 1 A 97 97 ALA N N 75 120.375 121.685 -1.310 1 1 833 . 1 1 1 A 98 98 ASP H H 76 8.522 7.615 0.907 1 1 834 . 1 1 1 A 98 98 ASP HA H 76 4.356 4.410 -0.054 1 1 837 . 1 1 1 A 98 98 ASP C C 76 179.100 178.809 0.291 1 1 838 . 1 1 1 A 98 98 ASP CA C 76 57.252 57.459 -0.207 1 1 839 . 1 1 1 A 98 98 ASP CB C 76 41.335 40.981 0.354 1 1 840 . 1 1 1 A 98 98 ASP N N 76 116.871 118.652 -1.781 1 1 841 . 1 1 1 A 99 99 HIS H H 77 8.162 7.854 0.308 1 1 842 . 1 1 1 A 99 99 HIS HA H 77 3.847 4.391 -0.544 1 1 846 . 1 1 1 A 99 99 HIS C C 77 177.440 178.055 -0.615 1 1 847 . 1 1 1 A 99 99 HIS CA C 77 61.636 59.278 2.358 1 1 848 . 1 1 1 A 99 99 HIS CB C 77 29.328 29.881 -0.553 1 1 849 . 1 1 1 A 99 99 HIS N N 77 116.758 118.651 -1.893 1 1 850 . 1 1 1 A 100 100 LEU H H 78 8.718 8.344 0.374 1 1 851 . 1 1 1 A 100 100 LEU HA H 78 3.862 3.960 -0.098 1 1 861 . 1 1 1 A 100 100 LEU C C 78 177.720 179.364 -1.644 1 1 862 . 1 1 1 A 100 100 LEU CA C 78 58.746 57.428 1.318 1 1 863 . 1 1 1 A 100 100 LEU CB C 78 40.324 41.155 -0.831 1 1 867 . 1 1 1 A 100 100 LEU N N 78 120.332 118.983 1.349 1 1 868 . 1 1 1 A 101 101 GLN H H 79 8.167 8.297 -0.130 1 1 869 . 1 1 1 A 101 101 GLN HA H 79 3.973 3.944 0.029 1 1 874 . 1 1 1 A 101 101 GLN C C 79 178.990 178.701 0.289 1 1 875 . 1 1 1 A 101 101 GLN CA C 79 58.359 59.239 -0.880 1 1 876 . 1 1 1 A 101 101 GLN CB C 79 29.575 28.737 0.838 1 1 878 . 1 1 1 A 101 101 GLN N N 79 115.715 119.655 -3.940 1 1 879 . 1 1 1 A 102 102 ARG H H 80 7.835 7.839 -0.004 1 1 880 . 1 1 1 A 102 102 ARG HA H 80 3.990 4.057 -0.067 1 1 887 . 1 1 1 A 102 102 ARG C C 80 178.540 178.556 -0.016 1 1 888 . 1 1 1 A 102 102 ARG CA C 80 58.789 59.084 -0.295 1 1 889 . 1 1 1 A 102 102 ARG CB C 80 30.218 30.108 0.110 1 1 892 . 1 1 1 A 102 102 ARG N N 80 118.207 119.369 -1.162 1 1 893 . 1 1 1 A 103 103 MET H H 81 7.645 7.991 -0.346 1 1 894 . 1 1 1 A 103 103 MET HA H 81 4.353 4.184 0.169 1 1 899 . 1 1 1 A 103 103 MET C C 81 176.300 175.976 0.324 1 1 900 . 1 1 1 A 103 103 MET CA C 81 55.646 56.681 -1.035 1 1 901 . 1 1 1 A 103 103 MET CB C 81 32.620 31.880 0.740 1 1 903 . 1 1 1 A 103 103 MET N N 81 116.250 116.206 0.044 1 1 904 . 1 1 1 A 104 104 ALA H H 82 7.324 7.624 -0.300 1 1 905 . 1 1 1 A 104 104 ALA HA H 82 4.386 4.593 -0.207 1 1 909 . 1 1 1 A 104 104 ALA CA C 82 51.004 50.851 0.153 1 1 910 . 1 1 1 A 104 104 ALA CB C 82 17.678 19.459 -1.781 1 1 911 . 1 1 1 A 104 104 ALA N N 82 123.602 122.531 1.071 1 1 912 . 1 1 1 A 106 106 SER HA H 84 4.610 4.681 -0.071 1 1 915 . 1 1 1 A 106 106 SER C C 84 173.480 173.531 -0.051 1 1 916 . 1 1 1 A 106 106 SER CA C 84 58.041 58.330 -0.289 1 1 917 . 1 1 1 A 106 106 SER CB C 84 64.139 65.350 -1.211 1 1 918 . 1 1 1 A 107 107 GLU H H 85 7.443 7.800 -0.357 1 1 919 . 1 1 1 A 107 107 GLU HA H 85 4.640 4.667 -0.027 1 1 924 . 1 1 1 A 107 107 GLU CA C 85 55.058 55.208 -0.150 1 1 925 . 1 1 1 A 107 107 GLU CB C 85 32.203 31.999 0.204 1 1 927 . 1 1 1 A 107 107 GLU N N 85 119.316 117.918 1.398 1 1 928 . 1 1 1 A 108 108 SER HA H 86 4.549 4.570 -0.021 1 1 931 . 1 1 1 A 108 108 SER C C 86 174.220 174.414 -0.194 1 1 932 . 1 1 1 A 108 108 SER CA C 86 57.291 57.906 -0.615 1 1 933 . 1 1 1 A 108 108 SER CB C 86 62.819 62.180 0.639 1 1 934 . 1 1 1 A 109 109 LEU H H 87 9.011 8.559 0.452 1 1 935 . 1 1 1 A 109 109 LEU HA H 87 4.606 3.954 0.652 1 1 945 . 1 1 1 A 109 109 LEU C C 87 176.720 176.233 0.487 1 1 946 . 1 1 1 A 109 109 LEU CA C 87 54.024 55.542 -1.518 1 1 947 . 1 1 1 A 109 109 LEU CB C 87 43.358 40.808 2.550 1 1 951 . 1 1 1 A 109 109 LEU N N 87 126.582 118.807 7.775 1 1 952 . 1 1 1 A 110 110 GLU H H 88 8.530 8.794 -0.264 1 1 953 . 1 1 1 A 110 110 GLU HA H 88 4.541 4.603 -0.062 1 1 958 . 1 1 1 A 110 110 GLU C C 88 175.340 176.054 -0.714 1 1 959 . 1 1 1 A 110 110 GLU CA C 88 55.555 56.527 -0.972 1 1 960 . 1 1 1 A 110 110 GLU CB C 88 29.970 29.385 0.585 1 1 962 . 1 1 1 A 110 110 GLU N N 88 123.263 124.637 -1.374 1 1 963 . 1 1 1 A 111 111 ILE H H 89 8.842 8.500 0.342 1 1 964 . 1 1 1 A 111 111 ILE HA H 89 3.911 4.992 -1.081 1 1 974 . 1 1 1 A 111 111 ILE C C 89 173.250 174.104 -0.854 1 1 975 . 1 1 1 A 111 111 ILE CA C 89 61.207 59.290 1.917 1 1 976 . 1 1 1 A 111 111 ILE CB C 89 38.989 41.301 -2.312 1 1 980 . 1 1 1 A 111 111 ILE N N 89 128.558 118.426 10.132 1 1 981 . 1 1 1 A 112 112 ALA H H 90 8.651 8.952 -0.301 1 1 982 . 1 1 1 A 112 112 ALA HA H 90 4.733 4.813 -0.080 1 1 986 . 1 1 1 A 112 112 ALA C C 90 177.040 176.750 0.290 1 1 987 . 1 1 1 A 112 112 ALA CA C 90 50.598 50.309 0.289 1 1 988 . 1 1 1 A 112 112 ALA CB C 90 21.517 19.870 1.647 1 1 989 . 1 1 1 A 112 112 ALA N N 90 131.215 128.170 3.045 1 1 990 . 1 1 1 A 113 113 TRP H H 91 9.084 8.537 0.547 1 1 991 . 1 1 1 A 113 113 TRP HA H 91 5.129 5.419 -0.290 1 1 996 . 1 1 1 A 113 113 TRP C C 91 176.725 176.219 0.506 1 1 997 . 1 1 1 A 113 113 TRP CA C 91 56.263 55.261 1.002 1 1 998 . 1 1 1 A 113 113 TRP CB C 91 31.282 31.242 0.040 1 1 999 . 1 1 1 A 113 113 TRP N N 91 125.391 124.541 0.850 1 1 1001 . 1 1 1 A 114 114 GLN H H 92 9.712 9.212 0.500 1 1 1002 . 1 1 1 A 114 114 GLN HA H 92 5.078 4.528 0.550 1 1 1007 . 1 1 1 A 114 114 GLN CA C 92 52.872 54.118 -1.246 1 1 1008 . 1 1 1 A 114 114 GLN CB C 92 30.288 28.299 1.989 1 1 1010 . 1 1 1 A 114 114 GLN N N 92 122.696 121.301 1.395 1 1 1011 . 1 1 1 A 115 115 PRO HA H 93 4.689 4.542 0.147 1 1 1018 . 1 1 1 A 115 115 PRO C C 93 176.690 177.116 -0.426 1 1 1019 . 1 1 1 A 115 115 PRO CA C 93 63.246 65.314 -2.068 1 1 1020 . 1 1 1 A 115 115 PRO CB C 93 32.152 31.855 0.297 1 1 1023 . 1 1 1 A 116 116 ALA H H 94 8.429 7.945 0.484 1 1 1024 . 1 1 1 A 116 116 ALA HA H 94 4.615 4.542 0.073 1 1 1028 . 1 1 1 A 116 116 ALA C C 94 177.230 177.036 0.194 1 1 1029 . 1 1 1 A 116 116 ALA CA C 94 51.966 53.784 -1.818 1 1 1030 . 1 1 1 A 116 116 ALA CB C 94 20.497 17.867 2.630 1 1 1031 . 1 1 1 A 116 116 ALA N N 94 125.566 119.432 6.134 1 1 1032 . 1 1 1 A 117 117 GLU H H 95 8.754 8.494 0.260 1 1 1033 . 1 1 1 A 117 117 GLU HA H 95 4.479 4.378 0.101 1 1 1038 . 1 1 1 A 117 117 GLU CA C 95 56.146 57.758 -1.612 1 1 1039 . 1 1 1 A 117 117 GLU CB C 95 30.856 29.169 1.687 1 1 11 . 2 1 1 A 24 24 PHE H H 2 8.940 8.419 0.521 1 1 12 . 2 1 1 A 24 24 PHE HA H 2 4.540 4.897 -0.357 1 1 17 . 2 1 1 A 24 24 PHE C C 2 173.640 175.433 -1.793 1 1 18 . 2 1 1 A 24 24 PHE CA C 2 58.262 57.904 0.358 1 1 19 . 2 1 1 A 24 24 PHE CB C 2 40.639 40.553 0.086 1 1 20 . 2 1 1 A 24 24 PHE N N 2 121.410 124.459 -3.049 1 1 21 . 2 1 1 A 25 25 ARG H H 3 8.559 8.898 -0.339 1 1 22 . 2 1 1 A 25 25 ARG HA H 3 5.932 5.068 0.864 1 1 29 . 2 1 1 A 25 25 ARG C C 3 175.870 174.049 1.821 1 1 30 . 2 1 1 A 25 25 ARG CA C 3 53.965 55.145 -1.180 1 1 31 . 2 1 1 A 25 25 ARG CB C 3 34.959 33.649 1.310 1 1 34 . 2 1 1 A 25 25 ARG N N 3 123.288 121.045 2.243 1 1 35 . 2 1 1 A 26 26 SER H H 4 9.096 8.954 0.142 1 1 36 . 2 1 1 A 26 26 SER HA H 4 5.306 5.530 -0.224 1 1 39 . 2 1 1 A 26 26 SER C C 4 173.230 172.866 0.364 1 1 40 . 2 1 1 A 26 26 SER CA C 4 56.908 56.354 0.554 1 1 41 . 2 1 1 A 26 26 SER CB C 4 66.846 66.666 0.180 1 1 42 . 2 1 1 A 26 26 SER N N 4 120.152 119.535 0.617 1 1 43 . 2 1 1 A 27 27 THR H H 5 8.889 8.901 -0.012 1 1 44 . 2 1 1 A 27 27 THR HA H 5 6.172 5.609 0.563 1 1 49 . 2 1 1 A 27 27 THR C C 5 173.740 172.335 1.405 1 1 50 . 2 1 1 A 27 27 THR CA C 5 59.621 60.775 -1.154 1 1 51 . 2 1 1 A 27 27 THR CB C 5 75.444 71.493 3.951 1 1 53 . 2 1 1 A 27 27 THR N N 5 112.196 114.729 -2.533 1 1 54 . 2 1 1 A 28 28 SER H H 6 8.945 9.132 -0.187 1 1 55 . 2 1 1 A 28 28 SER HA H 6 4.643 5.455 -0.812 1 1 58 . 2 1 1 A 28 28 SER C C 6 173.400 172.645 0.755 1 1 59 . 2 1 1 A 28 28 SER CA C 6 57.727 56.919 0.808 1 1 60 . 2 1 1 A 28 28 SER CB C 6 65.115 64.660 0.455 1 1 61 . 2 1 1 A 28 28 SER N N 6 115.468 121.484 -6.016 1 1 62 . 2 1 1 A 29 29 HIS H H 7 8.713 9.004 -0.291 1 1 63 . 2 1 1 A 29 29 HIS HA H 7 5.046 5.452 -0.406 1 1 67 . 2 1 1 A 29 29 HIS C C 7 175.330 173.756 1.574 1 1 68 . 2 1 1 A 29 29 HIS CA C 7 55.507 53.858 1.649 1 1 69 . 2 1 1 A 29 29 HIS CB C 7 31.214 32.836 -1.622 1 1 70 . 2 1 1 A 29 29 HIS N N 7 130.131 128.116 2.015 1 1 71 . 2 1 1 A 30 30 VAL H H 8 9.318 8.967 0.351 1 1 72 . 2 1 1 A 30 30 VAL HA H 8 4.431 4.751 -0.320 1 1 80 . 2 1 1 A 30 30 VAL C C 8 175.620 174.808 0.812 1 1 81 . 2 1 1 A 30 30 VAL CA C 8 61.142 60.301 0.841 1 1 82 . 2 1 1 A 30 30 VAL CB C 8 33.063 35.739 -2.676 1 1 85 . 2 1 1 A 30 30 VAL N N 8 128.679 126.642 2.037 1 1 86 . 2 1 1 A 31 31 ARG H H 9 9.212 8.646 0.566 1 1 87 . 2 1 1 A 31 31 ARG HA H 9 4.517 5.041 -0.524 1 1 94 . 2 1 1 A 31 31 ARG C C 9 176.520 175.850 0.670 1 1 95 . 2 1 1 A 31 31 ARG CA C 9 57.458 55.239 2.219 1 1 96 . 2 1 1 A 31 31 ARG CB C 9 29.842 30.904 -1.062 1 1 99 . 2 1 1 A 31 31 ARG N N 9 128.640 125.825 2.815 1 1 100 . 2 1 1 A 32 32 THR H H 10 7.941 9.072 -1.131 1 1 101 . 2 1 1 A 32 32 THR HA H 10 4.627 5.062 -0.435 1 1 105 . 2 1 1 A 32 32 THR C C 10 172.560 172.925 -0.365 1 1 106 . 2 1 1 A 32 32 THR CA C 10 61.473 60.376 1.097 1 1 107 . 2 1 1 A 32 32 THR CB C 10 66.191 73.045 -6.854 1 1 109 . 2 1 1 A 32 32 THR N N 10 120.036 118.694 1.342 1 1 110 . 2 1 1 A 33 33 GLU H H 11 9.022 8.946 0.076 1 1 111 . 2 1 1 A 33 33 GLU HA H 11 4.731 4.818 -0.087 1 1 116 . 2 1 1 A 33 33 GLU C C 11 177.810 176.814 0.996 1 1 117 . 2 1 1 A 33 33 GLU CA C 11 57.466 55.362 2.104 1 1 118 . 2 1 1 A 33 33 GLU CB C 11 30.044 31.855 -1.811 1 1 120 . 2 1 1 A 33 33 GLU N N 11 126.859 124.240 2.619 1 1 121 . 2 1 1 A 34 34 SER H H 12 8.930 9.320 -0.390 1 1 122 . 2 1 1 A 34 34 SER HA H 12 4.795 4.105 0.690 1 1 125 . 2 1 1 A 34 34 SER C C 12 173.360 174.472 -1.112 1 1 126 . 2 1 1 A 34 34 SER CA C 12 56.842 58.993 -2.151 1 1 127 . 2 1 1 A 34 34 SER CB C 12 63.756 62.542 1.214 1 1 128 . 2 1 1 A 34 34 SER N N 12 119.717 118.703 1.014 1 1 129 . 2 1 1 A 35 35 ALA H H 13 8.756 7.791 0.965 1 1 130 . 2 1 1 A 35 35 ALA HA H 13 3.542 3.808 -0.266 1 1 134 . 2 1 1 A 35 35 ALA C C 13 178.560 179.267 -0.707 1 1 135 . 2 1 1 A 35 35 ALA CA C 13 56.288 55.022 1.266 1 1 136 . 2 1 1 A 35 35 ALA CB C 13 21.558 18.553 3.005 1 1 137 . 2 1 1 A 35 35 ALA N N 13 121.856 122.613 -0.757 1 1 138 . 2 1 1 A 36 36 ALA H H 14 8.442 8.106 0.336 1 1 139 . 2 1 1 A 36 36 ALA HA H 14 3.691 4.222 -0.531 1 1 143 . 2 1 1 A 36 36 ALA C C 14 179.900 179.629 0.271 1 1 144 . 2 1 1 A 36 36 ALA CA C 14 55.754 54.776 0.978 1 1 145 . 2 1 1 A 36 36 ALA CB C 14 17.368 18.301 -0.933 1 1 146 . 2 1 1 A 36 36 ALA N N 14 117.191 118.962 -1.771 1 1 147 . 2 1 1 A 37 37 ARG H H 15 7.513 7.241 0.272 1 1 148 . 2 1 1 A 37 37 ARG HA H 15 4.097 4.083 0.014 1 1 155 . 2 1 1 A 37 37 ARG C C 15 178.720 178.616 0.104 1 1 156 . 2 1 1 A 37 37 ARG CA C 15 58.699 58.593 0.106 1 1 157 . 2 1 1 A 37 37 ARG CB C 15 30.024 29.860 0.164 1 1 160 . 2 1 1 A 37 37 ARG N N 15 118.952 118.729 0.223 1 1 161 . 2 1 1 A 38 38 TYR H H 16 7.632 7.888 -0.256 1 1 162 . 2 1 1 A 38 38 TYR HA H 16 4.433 4.356 0.077 1 1 166 . 2 1 1 A 38 38 TYR C C 16 178.110 178.427 -0.317 1 1 167 . 2 1 1 A 38 38 TYR CA C 16 58.473 61.213 -2.740 1 1 168 . 2 1 1 A 38 38 TYR CB C 16 36.286 37.783 -1.497 1 1 169 . 2 1 1 A 38 38 TYR N N 16 118.516 119.316 -0.800 1 1 170 . 2 1 1 A 39 39 VAL H H 17 8.680 7.488 1.192 1 1 171 . 2 1 1 A 39 39 VAL HA H 17 3.491 3.837 -0.346 1 1 179 . 2 1 1 A 39 39 VAL C C 17 177.450 178.286 -0.836 1 1 180 . 2 1 1 A 39 39 VAL CA C 17 68.093 66.073 2.020 1 1 181 . 2 1 1 A 39 39 VAL CB C 17 31.943 31.959 -0.016 1 1 184 . 2 1 1 A 39 39 VAL N N 17 119.126 120.608 -1.482 1 1 185 . 2 1 1 A 40 40 ASN H H 18 7.813 7.953 -0.140 1 1 186 . 2 1 1 A 40 40 ASN HA H 18 4.280 4.511 -0.231 1 1 189 . 2 1 1 A 40 40 ASN C C 18 177.190 178.074 -0.884 1 1 190 . 2 1 1 A 40 40 ASN CA C 18 57.525 56.478 1.047 1 1 191 . 2 1 1 A 40 40 ASN CB C 18 39.474 37.839 1.635 1 1 192 . 2 1 1 A 40 40 ASN N N 18 118.013 117.827 0.186 1 1 193 . 2 1 1 A 41 41 ARG H H 19 8.425 8.181 0.244 1 1 194 . 2 1 1 A 41 41 ARG HA H 19 4.010 4.190 -0.180 1 1 201 . 2 1 1 A 41 41 ARG C C 19 180.050 179.268 0.782 1 1 202 . 2 1 1 A 41 41 ARG CA C 19 59.734 58.887 0.847 1 1 203 . 2 1 1 A 41 41 ARG CB C 19 30.877 29.851 1.026 1 1 206 . 2 1 1 A 41 41 ARG N N 19 116.687 120.906 -4.219 1 1 207 . 2 1 1 A 42 42 LEU H H 20 8.731 8.024 0.707 1 1 208 . 2 1 1 A 42 42 LEU HA H 20 3.904 4.297 -0.393 1 1 218 . 2 1 1 A 42 42 LEU C C 20 178.690 178.688 0.002 1 1 219 . 2 1 1 A 42 42 LEU CA C 20 58.238 57.963 0.275 1 1 220 . 2 1 1 A 42 42 LEU CB C 20 41.659 41.830 -0.171 1 1 224 . 2 1 1 A 42 42 LEU N N 20 120.849 119.969 0.880 1 1 225 . 2 1 1 A 43 43 CYS H H 21 8.241 8.717 -0.476 1 1 226 . 2 1 1 A 43 43 CYS HA H 21 4.268 4.157 0.111 1 1 229 . 2 1 1 A 43 43 CYS C C 21 177.530 176.959 0.571 1 1 230 . 2 1 1 A 43 43 CYS CA C 21 65.374 62.590 2.784 1 1 231 . 2 1 1 A 43 43 CYS CB C 21 27.962 27.343 0.619 1 1 232 . 2 1 1 A 43 43 CYS N N 21 115.952 118.006 -2.054 1 1 233 . 2 1 1 A 44 44 LYS H H 22 8.364 7.990 0.374 1 1 234 . 2 1 1 A 44 44 LYS HA H 22 4.091 4.268 -0.177 1 1 243 . 2 1 1 A 44 44 LYS C C 22 179.020 178.739 0.281 1 1 244 . 2 1 1 A 44 44 LYS CA C 22 59.004 58.005 0.999 1 1 245 . 2 1 1 A 44 44 LYS CB C 22 31.921 32.596 -0.675 1 1 249 . 2 1 1 A 44 44 LYS N N 22 119.823 120.358 -0.535 1 1 250 . 2 1 1 A 45 45 HIS H H 23 8.036 8.279 -0.243 1 1 251 . 2 1 1 A 45 45 HIS HA H 23 4.408 4.200 0.208 1 1 255 . 2 1 1 A 45 45 HIS C C 23 177.870 176.971 0.899 1 1 256 . 2 1 1 A 45 45 HIS CA C 23 60.404 59.365 1.039 1 1 257 . 2 1 1 A 45 45 HIS CB C 23 30.954 30.685 0.269 1 1 258 . 2 1 1 A 45 45 HIS N N 23 118.729 121.066 -2.337 1 1 259 . 2 1 1 A 46 46 TRP H H 24 8.426 8.967 -0.541 1 1 260 . 2 1 1 A 46 46 TRP HA H 24 4.903 4.728 0.175 1 1 265 . 2 1 1 A 46 46 TRP C C 24 177.900 177.802 0.098 1 1 266 . 2 1 1 A 46 46 TRP CA C 24 58.973 59.416 -0.443 1 1 267 . 2 1 1 A 46 46 TRP CB C 24 29.328 29.282 0.046 1 1 268 . 2 1 1 A 46 46 TRP N N 24 117.297 116.713 0.584 1 1 270 . 2 1 1 A 47 47 GLY H H 25 8.254 8.204 0.050 1 1 271 . 2 1 1 A 47 47 GLY HA2 H 25 4.362 4.048 0.314 1 1 272 . 2 1 1 A 47 47 GLY HA3 H 25 3.936 4.079 -0.143 1 1 273 . 2 1 1 A 47 47 GLY CA C 25 46.812 47.422 -0.610 1 1 274 . 2 1 1 A 47 47 GLY N N 25 108.683 108.504 0.179 1 1 275 . 2 1 1 A 48 48 HIS C C 26 176.030 175.348 0.682 1 1 276 . 2 1 1 A 48 48 HIS CA C 26 58.358 57.769 0.589 1 1 277 . 2 1 1 A 48 48 HIS CB C 26 30.438 31.139 -0.701 1 1 278 . 2 1 1 A 49 49 LYS H H 27 7.544 7.943 -0.399 1 1 279 . 2 1 1 A 49 49 LYS HA H 27 4.236 4.339 -0.103 1 1 288 . 2 1 1 A 49 49 LYS C C 27 174.880 174.353 0.527 1 1 289 . 2 1 1 A 49 49 LYS CA C 27 56.572 55.265 1.307 1 1 290 . 2 1 1 A 49 49 LYS CB C 27 35.793 33.932 1.861 1 1 294 . 2 1 1 A 49 49 LYS N N 27 117.278 119.129 -1.851 1 1 295 . 2 1 1 A 50 50 PHE H H 28 8.178 7.619 0.559 1 1 296 . 2 1 1 A 50 50 PHE HA H 28 5.016 5.050 -0.034 1 1 301 . 2 1 1 A 50 50 PHE C C 28 174.190 175.016 -0.826 1 1 302 . 2 1 1 A 50 50 PHE CA C 28 55.756 56.309 -0.553 1 1 303 . 2 1 1 A 50 50 PHE CB C 28 41.140 42.926 -1.786 1 1 304 . 2 1 1 A 50 50 PHE N N 28 118.846 119.042 -0.196 1 1 305 . 2 1 1 A 51 51 GLU H H 29 7.812 8.400 -0.588 1 1 306 . 2 1 1 A 51 51 GLU HA H 29 4.449 4.420 0.029 1 1 311 . 2 1 1 A 51 51 GLU C C 29 175.570 175.923 -0.353 1 1 312 . 2 1 1 A 51 51 GLU CA C 29 56.852 56.386 0.466 1 1 313 . 2 1 1 A 51 51 GLU CB C 29 30.207 29.799 0.408 1 1 315 . 2 1 1 A 51 51 GLU N N 29 120.355 121.126 -0.771 1 1 316 . 2 1 1 A 52 52 VAL H H 30 8.395 8.896 -0.501 1 1 317 . 2 1 1 A 52 52 VAL HA H 30 5.383 5.388 -0.005 1 1 325 . 2 1 1 A 52 52 VAL C C 30 175.850 174.264 1.586 1 1 326 . 2 1 1 A 52 52 VAL CA C 30 59.969 60.210 -0.241 1 1 327 . 2 1 1 A 52 52 VAL CB C 30 36.173 34.225 1.948 1 1 330 . 2 1 1 A 52 52 VAL N N 30 124.120 120.671 3.449 1 1 331 . 2 1 1 A 53 53 GLU H H 31 9.289 9.597 -0.308 1 1 332 . 2 1 1 A 53 53 GLU HA H 31 4.717 4.968 -0.251 1 1 337 . 2 1 1 A 53 53 GLU C C 31 174.370 175.242 -0.872 1 1 338 . 2 1 1 A 53 53 GLU CA C 31 55.415 55.985 -0.570 1 1 339 . 2 1 1 A 53 53 GLU CB C 31 33.211 31.770 1.441 1 1 341 . 2 1 1 A 53 53 GLU N N 31 126.346 127.116 -0.770 1 1 342 . 2 1 1 A 54 54 LEU H H 32 8.763 8.651 0.112 1 1 343 . 2 1 1 A 54 54 LEU HA H 32 5.375 4.991 0.384 1 1 353 . 2 1 1 A 54 54 LEU C C 32 175.100 175.147 -0.047 1 1 354 . 2 1 1 A 54 54 LEU CA C 32 55.010 54.410 0.600 1 1 355 . 2 1 1 A 54 54 LEU CB C 32 45.485 45.518 -0.033 1 1 359 . 2 1 1 A 54 54 LEU N N 32 126.898 124.164 2.734 1 1 360 . 2 1 1 A 55 55 THR H H 33 9.159 8.430 0.729 1 1 361 . 2 1 1 A 55 55 THR HA H 33 4.886 5.062 -0.176 1 1 366 . 2 1 1 A 55 55 THR CA C 33 59.489 58.403 1.086 1 1 367 . 2 1 1 A 55 55 THR CB C 33 69.241 70.070 -0.829 1 1 369 . 2 1 1 A 55 55 THR N N 33 121.246 117.386 3.860 1 1 370 . 2 1 1 A 56 56 PRO HA H 34 4.269 4.615 -0.346 1 1 377 . 2 1 1 A 56 56 PRO C C 34 177.750 175.500 2.250 1 1 378 . 2 1 1 A 56 56 PRO CA C 34 65.968 62.791 3.177 1 1 379 . 2 1 1 A 56 56 PRO CB C 34 31.786 29.516 2.270 1 1 382 . 2 1 1 A 57 57 GLU H H 35 8.148 8.804 -0.656 1 1 383 . 2 1 1 A 57 57 GLU HA H 35 4.351 4.530 -0.179 1 1 388 . 2 1 1 A 57 57 GLU C C 35 175.720 175.781 -0.061 1 1 389 . 2 1 1 A 57 57 GLU CA C 35 57.085 56.869 0.216 1 1 390 . 2 1 1 A 57 57 GLU CB C 35 30.299 32.256 -1.957 1 1 392 . 2 1 1 A 57 57 GLU N N 35 112.303 120.428 -8.125 1 1 393 . 2 1 1 A 58 58 ARG H H 36 7.777 7.495 0.282 1 1 394 . 2 1 1 A 58 58 ARG HA H 36 5.418 5.253 0.165 1 1 401 . 2 1 1 A 58 58 ARG C C 36 173.610 173.773 -0.163 1 1 402 . 2 1 1 A 58 58 ARG CA C 36 55.576 54.992 0.584 1 1 403 . 2 1 1 A 58 58 ARG CB C 36 33.324 32.603 0.721 1 1 406 . 2 1 1 A 58 58 ARG N N 36 122.018 114.685 7.333 1 1 407 . 2 1 1 A 59 59 GLY H H 37 9.650 8.546 1.104 1 1 408 . 2 1 1 A 59 59 GLY HA2 H 37 5.484 4.336 1.148 1 1 409 . 2 1 1 A 59 59 GLY HA3 H 37 3.554 4.348 -0.794 1 1 410 . 2 1 1 A 59 59 GLY C C 37 171.630 172.017 -0.387 1 1 411 . 2 1 1 A 59 59 GLY CA C 37 44.563 44.127 0.436 1 1 412 . 2 1 1 A 59 59 GLY N N 37 113.745 106.847 6.898 1 1 413 . 2 1 1 A 60 60 PHE H H 38 9.138 8.585 0.553 1 1 414 . 2 1 1 A 60 60 PHE HA H 38 5.472 5.240 0.232 1 1 419 . 2 1 1 A 60 60 PHE C C 38 173.180 173.736 -0.556 1 1 420 . 2 1 1 A 60 60 PHE CA C 38 57.234 56.107 1.127 1 1 421 . 2 1 1 A 60 60 PHE CB C 38 43.107 42.304 0.803 1 1 422 . 2 1 1 A 60 60 PHE N N 38 124.144 122.849 1.295 1 1 423 . 2 1 1 A 61 61 ILE H H 39 8.618 8.538 0.080 1 1 424 . 2 1 1 A 61 61 ILE HA H 39 4.226 4.840 -0.614 1 1 434 . 2 1 1 A 61 61 ILE C C 39 172.950 173.383 -0.433 1 1 435 . 2 1 1 A 61 61 ILE CA C 39 60.357 60.345 0.012 1 1 436 . 2 1 1 A 61 61 ILE CB C 39 41.488 39.981 1.507 1 1 440 . 2 1 1 A 61 61 ILE N N 39 126.753 127.146 -0.393 1 1 441 . 2 1 1 A 62 62 ASP H H 40 8.192 8.155 0.037 1 1 442 . 2 1 1 A 62 62 ASP HA H 40 4.464 4.809 -0.345 1 1 445 . 2 1 1 A 62 62 ASP C C 40 176.240 175.868 0.372 1 1 446 . 2 1 1 A 62 62 ASP CA C 40 52.208 52.610 -0.402 1 1 447 . 2 1 1 A 62 62 ASP CB C 40 41.489 43.101 -1.612 1 1 448 . 2 1 1 A 62 62 ASP N N 40 124.314 128.729 -4.415 1 1 449 . 2 1 1 A 63 63 PHE H H 41 8.165 8.917 -0.752 1 1 450 . 2 1 1 A 63 63 PHE HA H 41 4.007 4.538 -0.531 1 1 454 . 2 1 1 A 63 63 PHE C C 41 175.640 175.732 -0.092 1 1 455 . 2 1 1 A 63 63 PHE CA C 41 58.407 57.959 0.448 1 1 456 . 2 1 1 A 63 63 PHE CB C 41 38.486 39.474 -0.988 1 1 457 . 2 1 1 A 63 63 PHE N N 41 123.395 124.080 -0.685 1 1 458 . 2 1 1 A 64 64 GLY H H 42 9.003 7.726 1.277 1 1 459 . 2 1 1 A 64 64 GLY HA2 H 42 4.675 4.090 0.585 1 1 460 . 2 1 1 A 64 64 GLY HA3 H 42 3.484 4.123 -0.639 1 1 461 . 2 1 1 A 64 64 GLY CA C 42 45.938 45.754 0.184 1 1 462 . 2 1 1 A 64 64 GLY N N 42 112.196 106.671 5.525 1 1 463 . 2 1 1 A 65 65 ASP HA H 43 4.675 4.757 -0.082 1 1 466 . 2 1 1 A 65 65 ASP C C 43 176.170 175.005 1.165 1 1 467 . 2 1 1 A 65 65 ASP CA C 43 55.415 53.202 2.213 1 1 468 . 2 1 1 A 65 65 ASP CB C 43 41.379 39.099 2.280 1 1 469 . 2 1 1 A 66 66 SER H H 44 7.743 7.795 -0.052 1 1 470 . 2 1 1 A 66 66 SER HA H 44 5.292 5.061 0.231 1 1 473 . 2 1 1 A 66 66 SER C C 44 172.190 172.273 -0.083 1 1 474 . 2 1 1 A 66 66 SER CA C 44 57.890 56.611 1.279 1 1 475 . 2 1 1 A 66 66 SER CB C 44 66.054 64.517 1.537 1 1 476 . 2 1 1 A 66 66 SER N N 44 112.796 117.176 -4.380 1 1 477 . 2 1 1 A 67 67 ASN H H 45 9.075 8.922 0.153 1 1 478 . 2 1 1 A 67 67 ASN HA H 45 5.126 5.180 -0.054 1 1 481 . 2 1 1 A 67 67 ASN C C 45 172.300 173.360 -1.060 1 1 482 . 2 1 1 A 67 67 ASN CA C 45 52.997 52.456 0.541 1 1 483 . 2 1 1 A 67 67 ASN CB C 45 42.047 42.459 -0.412 1 1 484 . 2 1 1 A 67 67 ASN N N 45 114.955 119.980 -5.025 1 1 485 . 2 1 1 A 68 68 CYS H H 46 8.757 8.299 0.458 1 1 486 . 2 1 1 A 68 68 CYS HA H 46 5.652 4.966 0.686 1 1 489 . 2 1 1 A 68 68 CYS C C 46 170.650 172.966 -2.316 1 1 490 . 2 1 1 A 68 68 CYS CA C 46 56.668 58.344 -1.676 1 1 491 . 2 1 1 A 68 68 CYS CB C 46 31.195 29.314 1.881 1 1 492 . 2 1 1 A 68 68 CYS N N 46 119.184 119.640 -0.456 1 1 493 . 2 1 1 A 69 69 GLU H H 47 9.587 9.445 0.142 1 1 494 . 2 1 1 A 69 69 GLU HA H 47 5.283 5.667 -0.384 1 1 499 . 2 1 1 A 69 69 GLU C C 47 174.190 175.140 -0.950 1 1 500 . 2 1 1 A 69 69 GLU CA C 47 54.401 55.429 -1.028 1 1 501 . 2 1 1 A 69 69 GLU CB C 47 33.607 32.728 0.879 1 1 503 . 2 1 1 A 69 69 GLU N N 47 131.612 128.619 2.993 1 1 504 . 2 1 1 A 70 70 LEU H H 48 9.523 8.615 0.908 1 1 505 . 2 1 1 A 70 70 LEU HA H 48 5.314 5.246 0.068 1 1 515 . 2 1 1 A 70 70 LEU C C 48 174.730 175.038 -0.308 1 1 516 . 2 1 1 A 70 70 LEU CA C 48 53.570 53.229 0.341 1 1 517 . 2 1 1 A 70 70 LEU CB C 48 46.109 45.117 0.992 1 1 521 . 2 1 1 A 70 70 LEU N N 48 125.069 121.951 3.118 1 1 522 . 2 1 1 A 71 71 LEU H H 49 9.493 9.395 0.098 1 1 523 . 2 1 1 A 71 71 LEU HA H 49 5.001 5.249 -0.248 1 1 533 . 2 1 1 A 71 71 LEU C C 49 175.310 174.973 0.337 1 1 534 . 2 1 1 A 71 71 LEU CA C 49 53.809 54.014 -0.205 1 1 535 . 2 1 1 A 71 71 LEU CB C 49 42.880 44.160 -1.280 1 1 539 . 2 1 1 A 71 71 LEU N N 49 123.714 126.128 -2.414 1 1 540 . 2 1 1 A 72 72 ALA H H 50 8.255 8.806 -0.551 1 1 541 . 2 1 1 A 72 72 ALA HA H 50 4.307 5.061 -0.754 1 1 545 . 2 1 1 A 72 72 ALA C C 50 174.800 175.317 -0.517 1 1 546 . 2 1 1 A 72 72 ALA CA C 50 51.618 51.269 0.349 1 1 547 . 2 1 1 A 72 72 ALA CB C 50 18.634 21.324 -2.690 1 1 548 . 2 1 1 A 72 72 ALA N N 50 125.398 128.652 -3.254 1 1 549 . 2 1 1 A 73 73 HIS H H 51 8.053 9.290 -1.237 1 1 550 . 2 1 1 A 73 73 HIS HA H 51 4.953 4.924 0.029 1 1 554 . 2 1 1 A 73 73 HIS CA C 51 54.682 53.855 0.827 1 1 555 . 2 1 1 A 73 73 HIS CB C 51 31.150 32.478 -1.328 1 1 556 . 2 1 1 A 73 73 HIS N N 51 123.172 123.824 -0.652 1 1 557 . 2 1 1 A 74 74 PRO HA H 52 4.385 4.138 0.247 1 1 564 . 2 1 1 A 74 74 PRO C C 52 176.370 176.882 -0.512 1 1 565 . 2 1 1 A 74 74 PRO CA C 52 65.625 64.989 0.636 1 1 566 . 2 1 1 A 74 74 PRO CB C 52 32.014 31.927 0.087 1 1 569 . 2 1 1 A 75 75 ASP H H 53 8.303 8.214 0.089 1 1 570 . 2 1 1 A 75 75 ASP HA H 53 4.955 5.378 -0.423 1 1 573 . 2 1 1 A 75 75 ASP C C 53 177.380 175.220 2.160 1 1 574 . 2 1 1 A 75 75 ASP CA C 53 52.034 53.341 -1.307 1 1 575 . 2 1 1 A 75 75 ASP CB C 53 41.826 43.048 -1.222 1 1 576 . 2 1 1 A 75 75 ASP N N 53 109.961 117.007 -7.046 1 1 577 . 2 1 1 A 76 76 HIS H H 54 7.379 7.616 -0.237 1 1 578 . 2 1 1 A 76 76 HIS HA H 54 5.421 5.457 -0.036 1 1 582 . 2 1 1 A 76 76 HIS C C 54 172.470 172.844 -0.374 1 1 583 . 2 1 1 A 76 76 HIS CA C 54 56.943 54.337 2.606 1 1 584 . 2 1 1 A 76 76 HIS CB C 54 29.909 33.716 -3.807 1 1 585 . 2 1 1 A 76 76 HIS N N 54 114.752 116.341 -1.589 1 1 586 . 2 1 1 A 77 77 VAL H H 55 8.933 8.616 0.317 1 1 587 . 2 1 1 A 77 77 VAL HA H 55 4.837 5.077 -0.240 1 1 595 . 2 1 1 A 77 77 VAL C C 55 173.420 173.852 -0.432 1 1 596 . 2 1 1 A 77 77 VAL CA C 55 59.429 59.916 -0.487 1 1 597 . 2 1 1 A 77 77 VAL CB C 55 35.121 35.578 -0.457 1 1 600 . 2 1 1 A 77 77 VAL N N 55 117.287 119.710 -2.423 1 1 601 . 2 1 1 A 78 78 LEU H H 56 9.004 9.521 -0.517 1 1 602 . 2 1 1 A 78 78 LEU HA H 56 5.466 5.294 0.172 1 1 612 . 2 1 1 A 78 78 LEU C C 56 175.140 175.680 -0.540 1 1 613 . 2 1 1 A 78 78 LEU CA C 56 53.084 53.794 -0.710 1 1 614 . 2 1 1 A 78 78 LEU CB C 56 44.499 45.437 -0.938 1 1 618 . 2 1 1 A 78 78 LEU N N 56 130.334 128.183 2.151 1 1 619 . 2 1 1 A 79 79 MET H H 57 9.381 8.757 0.624 1 1 620 . 2 1 1 A 79 79 MET HA H 57 5.678 5.246 0.432 1 1 625 . 2 1 1 A 79 79 MET C C 57 175.160 174.680 0.480 1 1 626 . 2 1 1 A 79 79 MET CA C 57 54.216 54.397 -0.181 1 1 627 . 2 1 1 A 79 79 MET CB C 57 37.309 35.170 2.139 1 1 629 . 2 1 1 A 79 79 MET N N 57 124.304 122.378 1.926 1 1 630 . 2 1 1 A 80 80 ILE H H 58 9.552 8.937 0.615 1 1 631 . 2 1 1 A 80 80 ILE HA H 58 4.957 5.132 -0.175 1 1 641 . 2 1 1 A 80 80 ILE C C 58 175.160 175.538 -0.378 1 1 642 . 2 1 1 A 80 80 ILE CA C 58 61.338 59.872 1.466 1 1 643 . 2 1 1 A 80 80 ILE CB C 58 41.092 41.608 -0.516 1 1 647 . 2 1 1 A 80 80 ILE N N 58 122.359 124.580 -2.221 1 1 648 . 2 1 1 A 81 81 LEU H H 59 9.549 8.554 0.995 1 1 649 . 2 1 1 A 81 81 LEU HA H 59 5.274 5.300 -0.026 1 1 659 . 2 1 1 A 81 81 LEU C C 59 174.280 175.286 -1.006 1 1 660 . 2 1 1 A 81 81 LEU CA C 59 53.621 52.703 0.918 1 1 661 . 2 1 1 A 81 81 LEU CB C 59 46.837 45.725 1.112 1 1 665 . 2 1 1 A 81 81 LEU N N 59 131.901 124.174 7.727 1 1 666 . 2 1 1 A 82 82 ASN H H 60 8.516 8.568 -0.052 1 1 667 . 2 1 1 A 82 82 ASN HA H 60 5.851 5.432 0.419 1 1 670 . 2 1 1 A 82 82 ASN C C 60 174.840 173.897 0.943 1 1 671 . 2 1 1 A 82 82 ASN CA C 60 52.549 52.400 0.149 1 1 672 . 2 1 1 A 82 82 ASN CB C 60 43.188 40.520 2.668 1 1 673 . 2 1 1 A 82 82 ASN N N 60 120.142 118.688 1.454 1 1 674 . 2 1 1 A 83 83 SER H H 61 9.176 8.358 0.818 1 1 675 . 2 1 1 A 83 83 SER HA H 61 5.295 4.833 0.462 1 1 678 . 2 1 1 A 83 83 SER CA C 61 57.388 55.581 1.807 1 1 679 . 2 1 1 A 83 83 SER CB C 61 68.052 66.055 1.997 1 1 680 . 2 1 1 A 83 83 SER N N 61 116.871 119.766 -2.895 1 1 681 . 2 1 1 A 84 84 PRO HA H 62 4.907 4.018 0.889 1 1 688 . 2 1 1 A 84 84 PRO C C 62 175.210 175.551 -0.341 1 1 689 . 2 1 1 A 84 84 PRO CA C 62 64.539 63.559 0.980 1 1 690 . 2 1 1 A 84 84 PRO CB C 62 32.726 31.671 1.055 1 1 693 . 2 1 1 A 85 85 ASP H H 63 7.228 7.615 -0.387 1 1 694 . 2 1 1 A 85 85 ASP HA H 63 4.630 5.238 -0.608 1 1 697 . 2 1 1 A 85 85 ASP C C 63 174.540 175.788 -1.248 1 1 698 . 2 1 1 A 85 85 ASP CA C 63 53.119 53.499 -0.380 1 1 699 . 2 1 1 A 85 85 ASP CB C 63 42.880 43.361 -0.481 1 1 700 . 2 1 1 A 85 85 ASP N N 63 112.313 120.022 -7.709 1 1 701 . 2 1 1 A 86 86 GLU H H 64 8.761 9.464 -0.703 1 1 702 . 2 1 1 A 86 86 GLU HA H 64 3.321 4.142 -0.821 1 1 707 . 2 1 1 A 86 86 GLU C C 64 178.440 178.599 -0.159 1 1 708 . 2 1 1 A 86 86 GLU CA C 64 59.937 59.575 0.362 1 1 709 . 2 1 1 A 86 86 GLU CB C 64 29.707 29.457 0.250 1 1 711 . 2 1 1 A 86 86 GLU N N 64 120.055 125.240 -5.185 1 1 712 . 2 1 1 A 87 87 ASP H H 65 8.332 8.611 -0.279 1 1 713 . 2 1 1 A 87 87 ASP HA H 65 4.414 4.302 0.112 1 1 716 . 2 1 1 A 87 87 ASP C C 65 179.400 178.576 0.824 1 1 717 . 2 1 1 A 87 87 ASP CA C 65 57.203 57.631 -0.428 1 1 718 . 2 1 1 A 87 87 ASP CB C 65 40.323 41.309 -0.986 1 1 719 . 2 1 1 A 87 87 ASP N N 65 121.933 120.204 1.729 1 1 720 . 2 1 1 A 88 88 SER H H 66 8.949 7.693 1.256 1 1 721 . 2 1 1 A 88 88 SER HA H 66 4.169 4.197 -0.028 1 1 724 . 2 1 1 A 88 88 SER C C 66 176.110 176.198 -0.088 1 1 725 . 2 1 1 A 88 88 SER CA C 66 62.032 62.392 -0.360 1 1 726 . 2 1 1 A 88 88 SER CB C 66 62.178 63.008 -0.830 1 1 727 . 2 1 1 A 88 88 SER N N 66 119.726 116.589 3.137 1 1 728 . 2 1 1 A 89 89 LEU H H 67 7.737 8.619 -0.882 1 1 729 . 2 1 1 A 89 89 LEU HA H 67 4.017 4.619 -0.602 1 1 739 . 2 1 1 A 89 89 LEU C C 67 177.790 178.138 -0.348 1 1 740 . 2 1 1 A 89 89 LEU CA C 67 57.958 58.378 -0.420 1 1 741 . 2 1 1 A 89 89 LEU CB C 67 42.394 42.266 0.128 1 1 745 . 2 1 1 A 89 89 LEU N N 67 122.942 122.744 0.198 1 1 746 . 2 1 1 A 90 90 ALA H H 68 7.483 9.382 -1.899 1 1 747 . 2 1 1 A 90 90 ALA HA H 68 3.780 3.990 -0.210 1 1 751 . 2 1 1 A 90 90 ALA C C 68 180.410 179.405 1.005 1 1 752 . 2 1 1 A 90 90 ALA CA C 68 54.782 54.669 0.113 1 1 753 . 2 1 1 A 90 90 ALA CB C 68 17.857 18.447 -0.590 1 1 754 . 2 1 1 A 90 90 ALA N N 68 119.446 120.496 -1.050 1 1 755 . 2 1 1 A 91 91 HIS H H 69 7.707 8.262 -0.555 1 1 756 . 2 1 1 A 91 91 HIS HA H 69 4.377 3.979 0.398 1 1 760 . 2 1 1 A 91 91 HIS C C 69 177.865 177.075 0.790 1 1 761 . 2 1 1 A 91 91 HIS CA C 69 59.518 59.548 -0.030 1 1 762 . 2 1 1 A 91 91 HIS CB C 69 30.954 29.566 1.388 1 1 763 . 2 1 1 A 91 91 HIS N N 69 116.881 117.965 -1.084 1 1 764 . 2 1 1 A 92 92 MET H H 70 8.467 8.309 0.158 1 1 765 . 2 1 1 A 92 92 MET HA H 70 4.087 3.927 0.160 1 1 770 . 2 1 1 A 92 92 MET C C 70 178.390 178.050 0.340 1 1 771 . 2 1 1 A 92 92 MET CA C 70 55.584 58.810 -3.226 1 1 772 . 2 1 1 A 92 92 MET CB C 70 29.773 33.488 -3.715 1 1 774 . 2 1 1 A 92 92 MET N N 70 116.968 116.804 0.164 1 1 775 . 2 1 1 A 93 93 GLN H H 71 8.309 8.135 0.174 1 1 776 . 2 1 1 A 93 93 GLN HA H 71 2.874 4.000 -1.126 1 1 781 . 2 1 1 A 93 93 GLN C C 71 178.420 178.024 0.396 1 1 782 . 2 1 1 A 93 93 GLN CA C 71 58.852 58.535 0.317 1 1 783 . 2 1 1 A 93 93 GLN CB C 71 27.658 27.855 -0.197 1 1 785 . 2 1 1 A 93 93 GLN N N 71 120.665 117.466 3.199 1 1 786 . 2 1 1 A 94 94 ASN H H 72 6.899 8.272 -1.373 1 1 787 . 2 1 1 A 94 94 ASN HA H 72 4.596 4.389 0.207 1 1 790 . 2 1 1 A 94 94 ASN C C 72 177.380 177.489 -0.109 1 1 791 . 2 1 1 A 94 94 ASN CA C 72 56.037 56.112 -0.075 1 1 792 . 2 1 1 A 94 94 ASN CB C 72 38.219 38.443 -0.224 1 1 793 . 2 1 1 A 94 94 ASN N N 72 116.271 118.934 -2.663 1 1 794 . 2 1 1 A 95 95 VAL H H 73 8.050 7.612 0.438 1 1 795 . 2 1 1 A 95 95 VAL HA H 73 3.983 3.465 0.518 1 1 803 . 2 1 1 A 95 95 VAL C C 73 180.050 178.175 1.875 1 1 804 . 2 1 1 A 95 95 VAL CA C 73 66.515 66.153 0.362 1 1 805 . 2 1 1 A 95 95 VAL CB C 73 32.587 31.212 1.375 1 1 808 . 2 1 1 A 95 95 VAL N N 73 121.798 119.477 2.321 1 1 809 . 2 1 1 A 96 96 VAL H H 74 9.082 7.658 1.424 1 1 810 . 2 1 1 A 96 96 VAL HA H 74 3.986 2.832 1.154 1 1 818 . 2 1 1 A 96 96 VAL C C 74 177.490 177.917 -0.427 1 1 819 . 2 1 1 A 96 96 VAL CA C 74 67.947 66.009 1.938 1 1 820 . 2 1 1 A 96 96 VAL CB C 74 31.966 31.270 0.696 1 1 823 . 2 1 1 A 96 96 VAL N N 74 120.549 120.570 -0.021 1 1 824 . 2 1 1 A 97 97 ALA H H 75 8.285 7.756 0.529 1 1 825 . 2 1 1 A 97 97 ALA HA H 75 4.108 3.954 0.154 1 1 829 . 2 1 1 A 97 97 ALA C C 75 179.320 179.284 0.036 1 1 830 . 2 1 1 A 97 97 ALA CA C 75 56.117 54.916 1.201 1 1 831 . 2 1 1 A 97 97 ALA CB C 75 19.867 18.494 1.373 1 1 832 . 2 1 1 A 97 97 ALA N N 75 120.375 121.663 -1.288 1 1 833 . 2 1 1 A 98 98 ASP H H 76 8.522 7.640 0.882 1 1 834 . 2 1 1 A 98 98 ASP HA H 76 4.356 4.387 -0.031 1 1 837 . 2 1 1 A 98 98 ASP C C 76 179.100 178.751 0.349 1 1 838 . 2 1 1 A 98 98 ASP CA C 76 57.252 57.443 -0.191 1 1 839 . 2 1 1 A 98 98 ASP CB C 76 41.335 41.090 0.245 1 1 840 . 2 1 1 A 98 98 ASP N N 76 116.871 118.645 -1.774 1 1 841 . 2 1 1 A 99 99 HIS H H 77 8.162 7.716 0.446 1 1 842 . 2 1 1 A 99 99 HIS HA H 77 3.847 4.342 -0.495 1 1 846 . 2 1 1 A 99 99 HIS C C 77 177.440 178.054 -0.614 1 1 847 . 2 1 1 A 99 99 HIS CA C 77 61.636 59.193 2.443 1 1 848 . 2 1 1 A 99 99 HIS CB C 77 29.328 29.823 -0.495 1 1 849 . 2 1 1 A 99 99 HIS N N 77 116.758 118.597 -1.839 1 1 850 . 2 1 1 A 100 100 LEU H H 78 8.718 8.245 0.473 1 1 851 . 2 1 1 A 100 100 LEU HA H 78 3.862 3.951 -0.089 1 1 861 . 2 1 1 A 100 100 LEU C C 78 177.720 179.336 -1.616 1 1 862 . 2 1 1 A 100 100 LEU CA C 78 58.746 57.450 1.296 1 1 863 . 2 1 1 A 100 100 LEU CB C 78 40.324 41.210 -0.886 1 1 867 . 2 1 1 A 100 100 LEU N N 78 120.332 119.029 1.303 1 1 868 . 2 1 1 A 101 101 GLN H H 79 8.167 8.101 0.066 1 1 869 . 2 1 1 A 101 101 GLN HA H 79 3.973 3.958 0.015 1 1 874 . 2 1 1 A 101 101 GLN C C 79 178.990 178.526 0.464 1 1 875 . 2 1 1 A 101 101 GLN CA C 79 58.359 59.151 -0.792 1 1 876 . 2 1 1 A 101 101 GLN CB C 79 29.575 28.723 0.852 1 1 878 . 2 1 1 A 101 101 GLN N N 79 115.715 119.637 -3.922 1 1 879 . 2 1 1 A 102 102 ARG H H 80 7.835 7.782 0.053 1 1 880 . 2 1 1 A 102 102 ARG HA H 80 3.990 4.093 -0.103 1 1 887 . 2 1 1 A 102 102 ARG C C 80 178.540 178.542 -0.002 1 1 888 . 2 1 1 A 102 102 ARG CA C 80 58.789 59.153 -0.364 1 1 889 . 2 1 1 A 102 102 ARG CB C 80 30.218 30.119 0.099 1 1 892 . 2 1 1 A 102 102 ARG N N 80 118.207 119.252 -1.045 1 1 893 . 2 1 1 A 103 103 MET H H 81 7.645 7.967 -0.322 1 1 894 . 2 1 1 A 103 103 MET HA H 81 4.353 4.245 0.108 1 1 899 . 2 1 1 A 103 103 MET C C 81 176.300 176.360 -0.060 1 1 900 . 2 1 1 A 103 103 MET CA C 81 55.646 56.713 -1.067 1 1 901 . 2 1 1 A 103 103 MET CB C 81 32.620 32.118 0.502 1 1 903 . 2 1 1 A 103 103 MET N N 81 116.250 116.444 -0.194 1 1 904 . 2 1 1 A 104 104 ALA H H 82 7.324 7.548 -0.224 1 1 905 . 2 1 1 A 104 104 ALA HA H 82 4.386 4.544 -0.158 1 1 909 . 2 1 1 A 104 104 ALA CA C 82 51.004 51.025 -0.021 1 1 910 . 2 1 1 A 104 104 ALA CB C 82 17.678 19.204 -1.526 1 1 911 . 2 1 1 A 104 104 ALA N N 82 123.602 122.475 1.127 1 1 912 . 2 1 1 A 106 106 SER HA H 84 4.610 4.323 0.287 1 1 915 . 2 1 1 A 106 106 SER C C 84 173.480 173.675 -0.195 1 1 916 . 2 1 1 A 106 106 SER CA C 84 58.041 60.625 -2.584 1 1 917 . 2 1 1 A 106 106 SER CB C 84 64.139 62.256 1.883 1 1 918 . 2 1 1 A 107 107 GLU H H 85 7.443 8.025 -0.582 1 1 919 . 2 1 1 A 107 107 GLU HA H 85 4.640 4.923 -0.283 1 1 924 . 2 1 1 A 107 107 GLU CA C 85 55.058 55.200 -0.142 1 1 925 . 2 1 1 A 107 107 GLU CB C 85 32.203 32.104 0.099 1 1 927 . 2 1 1 A 107 107 GLU N N 85 119.316 118.604 0.712 1 1 928 . 2 1 1 A 108 108 SER HA H 86 4.549 4.568 -0.019 1 1 931 . 2 1 1 A 108 108 SER C C 86 174.220 174.189 0.031 1 1 932 . 2 1 1 A 108 108 SER CA C 86 57.291 57.743 -0.452 1 1 933 . 2 1 1 A 108 108 SER CB C 86 62.819 61.170 1.649 1 1 934 . 2 1 1 A 109 109 LEU H H 87 9.011 8.245 0.766 1 1 935 . 2 1 1 A 109 109 LEU HA H 87 4.606 3.944 0.662 1 1 945 . 2 1 1 A 109 109 LEU C C 87 176.720 176.063 0.657 1 1 946 . 2 1 1 A 109 109 LEU CA C 87 54.024 55.539 -1.515 1 1 947 . 2 1 1 A 109 109 LEU CB C 87 43.358 40.785 2.573 1 1 951 . 2 1 1 A 109 109 LEU N N 87 126.582 120.881 5.701 1 1 952 . 2 1 1 A 110 110 GLU H H 88 8.530 8.905 -0.375 1 1 953 . 2 1 1 A 110 110 GLU HA H 88 4.541 4.565 -0.024 1 1 958 . 2 1 1 A 110 110 GLU C C 88 175.340 175.999 -0.659 1 1 959 . 2 1 1 A 110 110 GLU CA C 88 55.555 56.421 -0.866 1 1 960 . 2 1 1 A 110 110 GLU CB C 88 29.970 29.972 -0.002 1 1 962 . 2 1 1 A 110 110 GLU N N 88 123.263 125.851 -2.588 1 1 963 . 2 1 1 A 111 111 ILE H H 89 8.842 8.503 0.339 1 1 964 . 2 1 1 A 111 111 ILE HA H 89 3.911 4.972 -1.061 1 1 974 . 2 1 1 A 111 111 ILE C C 89 173.250 174.104 -0.854 1 1 975 . 2 1 1 A 111 111 ILE CA C 89 61.207 59.279 1.928 1 1 976 . 2 1 1 A 111 111 ILE CB C 89 38.989 41.264 -2.275 1 1 980 . 2 1 1 A 111 111 ILE N N 89 128.558 121.844 6.714 1 1 981 . 2 1 1 A 112 112 ALA H H 90 8.651 8.886 -0.235 1 1 982 . 2 1 1 A 112 112 ALA HA H 90 4.733 4.861 -0.128 1 1 986 . 2 1 1 A 112 112 ALA C C 90 177.040 176.533 0.507 1 1 987 . 2 1 1 A 112 112 ALA CA C 90 50.598 50.225 0.373 1 1 988 . 2 1 1 A 112 112 ALA CB C 90 21.517 20.035 1.482 1 1 989 . 2 1 1 A 112 112 ALA N N 90 131.215 128.101 3.114 1 1 990 . 2 1 1 A 113 113 TRP H H 91 9.084 8.357 0.727 1 1 991 . 2 1 1 A 113 113 TRP HA H 91 5.129 5.377 -0.248 1 1 996 . 2 1 1 A 113 113 TRP C C 91 176.725 176.229 0.496 1 1 997 . 2 1 1 A 113 113 TRP CA C 91 56.263 55.257 1.006 1 1 998 . 2 1 1 A 113 113 TRP CB C 91 31.282 31.232 0.050 1 1 999 . 2 1 1 A 113 113 TRP N N 91 125.391 124.540 0.851 1 1 1001 . 2 1 1 A 114 114 GLN H H 92 9.712 9.252 0.460 1 1 1002 . 2 1 1 A 114 114 GLN HA H 92 5.078 4.593 0.485 1 1 1007 . 2 1 1 A 114 114 GLN CA C 92 52.872 54.289 -1.417 1 1 1008 . 2 1 1 A 114 114 GLN CB C 92 30.288 28.341 1.947 1 1 1010 . 2 1 1 A 114 114 GLN N N 92 122.696 121.590 1.106 1 1 1011 . 2 1 1 A 115 115 PRO HA H 93 4.689 4.552 0.137 1 1 1018 . 2 1 1 A 115 115 PRO C C 93 176.690 177.060 -0.370 1 1 1019 . 2 1 1 A 115 115 PRO CA C 93 63.246 65.263 -2.017 1 1 1020 . 2 1 1 A 115 115 PRO CB C 93 32.152 31.973 0.179 1 1 1023 . 2 1 1 A 116 116 ALA H H 94 8.429 8.090 0.339 1 1 1024 . 2 1 1 A 116 116 ALA HA H 94 4.615 4.531 0.084 1 1 1028 . 2 1 1 A 116 116 ALA C C 94 177.230 176.151 1.079 1 1 1029 . 2 1 1 A 116 116 ALA CA C 94 51.966 53.868 -1.902 1 1 1030 . 2 1 1 A 116 116 ALA CB C 94 20.497 17.849 2.648 1 1 1031 . 2 1 1 A 116 116 ALA N N 94 125.566 119.481 6.085 1 1 1032 . 2 1 1 A 117 117 GLU H H 95 8.754 7.816 0.938 1 1 1033 . 2 1 1 A 117 117 GLU HA H 95 4.479 4.680 -0.201 1 1 1038 . 2 1 1 A 117 117 GLU CA C 95 56.146 55.836 0.310 1 1 1039 . 2 1 1 A 117 117 GLU CB C 95 30.856 33.234 -2.378 1 1 11 . 3 1 1 A 24 24 PHE H H 2 8.940 8.380 0.560 1 1 12 . 3 1 1 A 24 24 PHE HA H 2 4.540 5.067 -0.527 1 1 17 . 3 1 1 A 24 24 PHE C C 2 173.640 175.345 -1.705 1 1 18 . 3 1 1 A 24 24 PHE CA C 2 58.262 57.175 1.087 1 1 19 . 3 1 1 A 24 24 PHE CB C 2 40.639 41.561 -0.922 1 1 20 . 3 1 1 A 24 24 PHE N N 2 121.410 123.842 -2.432 1 1 21 . 3 1 1 A 25 25 ARG H H 3 8.559 8.816 -0.257 1 1 22 . 3 1 1 A 25 25 ARG HA H 3 5.932 5.114 0.818 1 1 29 . 3 1 1 A 25 25 ARG C C 3 175.870 174.261 1.609 1 1 30 . 3 1 1 A 25 25 ARG CA C 3 53.965 55.145 -1.180 1 1 31 . 3 1 1 A 25 25 ARG CB C 3 34.959 33.614 1.345 1 1 34 . 3 1 1 A 25 25 ARG N N 3 123.288 121.087 2.201 1 1 35 . 3 1 1 A 26 26 SER H H 4 9.096 8.949 0.147 1 1 36 . 3 1 1 A 26 26 SER HA H 4 5.306 5.565 -0.259 1 1 39 . 3 1 1 A 26 26 SER C C 4 173.230 172.792 0.438 1 1 40 . 3 1 1 A 26 26 SER CA C 4 56.908 56.370 0.538 1 1 41 . 3 1 1 A 26 26 SER CB C 4 66.846 66.671 0.175 1 1 42 . 3 1 1 A 26 26 SER N N 4 120.152 119.797 0.355 1 1 43 . 3 1 1 A 27 27 THR H H 5 8.889 8.911 -0.022 1 1 44 . 3 1 1 A 27 27 THR HA H 5 6.172 5.605 0.567 1 1 49 . 3 1 1 A 27 27 THR C C 5 173.740 172.166 1.574 1 1 50 . 3 1 1 A 27 27 THR CA C 5 59.621 60.783 -1.162 1 1 51 . 3 1 1 A 27 27 THR CB C 5 75.444 71.500 3.944 1 1 53 . 3 1 1 A 27 27 THR N N 5 112.196 114.708 -2.512 1 1 54 . 3 1 1 A 28 28 SER H H 6 8.945 9.102 -0.157 1 1 55 . 3 1 1 A 28 28 SER HA H 6 4.643 5.423 -0.780 1 1 58 . 3 1 1 A 28 28 SER C C 6 173.400 172.692 0.708 1 1 59 . 3 1 1 A 28 28 SER CA C 6 57.727 56.926 0.801 1 1 60 . 3 1 1 A 28 28 SER CB C 6 65.115 64.760 0.355 1 1 61 . 3 1 1 A 28 28 SER N N 6 115.468 121.947 -6.479 1 1 62 . 3 1 1 A 29 29 HIS H H 7 8.713 9.015 -0.302 1 1 63 . 3 1 1 A 29 29 HIS HA H 7 5.046 5.478 -0.432 1 1 67 . 3 1 1 A 29 29 HIS C C 7 175.330 173.714 1.616 1 1 68 . 3 1 1 A 29 29 HIS CA C 7 55.507 53.866 1.641 1 1 69 . 3 1 1 A 29 29 HIS CB C 7 31.214 32.709 -1.495 1 1 70 . 3 1 1 A 29 29 HIS N N 7 130.131 127.920 2.211 1 1 71 . 3 1 1 A 30 30 VAL H H 8 9.318 8.988 0.330 1 1 72 . 3 1 1 A 30 30 VAL HA H 8 4.431 4.748 -0.317 1 1 80 . 3 1 1 A 30 30 VAL C C 8 175.620 174.756 0.864 1 1 81 . 3 1 1 A 30 30 VAL CA C 8 61.142 60.298 0.844 1 1 82 . 3 1 1 A 30 30 VAL CB C 8 33.063 35.774 -2.711 1 1 85 . 3 1 1 A 30 30 VAL N N 8 128.679 126.583 2.096 1 1 86 . 3 1 1 A 31 31 ARG H H 9 9.212 8.602 0.610 1 1 87 . 3 1 1 A 31 31 ARG HA H 9 4.517 5.034 -0.517 1 1 94 . 3 1 1 A 31 31 ARG C C 9 176.520 175.819 0.701 1 1 95 . 3 1 1 A 31 31 ARG CA C 9 57.458 55.294 2.164 1 1 96 . 3 1 1 A 31 31 ARG CB C 9 29.842 30.843 -1.001 1 1 99 . 3 1 1 A 31 31 ARG N N 9 128.640 125.666 2.974 1 1 100 . 3 1 1 A 32 32 THR H H 10 7.941 8.948 -1.007 1 1 101 . 3 1 1 A 32 32 THR HA H 10 4.627 5.058 -0.431 1 1 105 . 3 1 1 A 32 32 THR C C 10 172.560 172.927 -0.367 1 1 106 . 3 1 1 A 32 32 THR CA C 10 61.473 60.378 1.095 1 1 107 . 3 1 1 A 32 32 THR CB C 10 66.191 73.039 -6.848 1 1 109 . 3 1 1 A 32 32 THR N N 10 120.036 118.701 1.335 1 1 110 . 3 1 1 A 33 33 GLU H H 11 9.022 8.958 0.064 1 1 111 . 3 1 1 A 33 33 GLU HA H 11 4.731 4.777 -0.046 1 1 116 . 3 1 1 A 33 33 GLU C C 11 177.810 176.841 0.969 1 1 117 . 3 1 1 A 33 33 GLU CA C 11 57.466 55.367 2.099 1 1 118 . 3 1 1 A 33 33 GLU CB C 11 30.044 31.821 -1.777 1 1 120 . 3 1 1 A 33 33 GLU N N 11 126.859 124.256 2.603 1 1 121 . 3 1 1 A 34 34 SER H H 12 8.930 9.322 -0.392 1 1 122 . 3 1 1 A 34 34 SER HA H 12 4.795 4.101 0.694 1 1 125 . 3 1 1 A 34 34 SER C C 12 173.360 174.475 -1.115 1 1 126 . 3 1 1 A 34 34 SER CA C 12 56.842 58.998 -2.156 1 1 127 . 3 1 1 A 34 34 SER CB C 12 63.756 62.565 1.191 1 1 128 . 3 1 1 A 34 34 SER N N 12 119.717 118.528 1.189 1 1 129 . 3 1 1 A 35 35 ALA H H 13 8.756 7.746 1.010 1 1 130 . 3 1 1 A 35 35 ALA HA H 13 3.542 3.809 -0.267 1 1 134 . 3 1 1 A 35 35 ALA C C 13 178.560 179.108 -0.548 1 1 135 . 3 1 1 A 35 35 ALA CA C 13 56.288 55.087 1.201 1 1 136 . 3 1 1 A 35 35 ALA CB C 13 21.558 18.716 2.842 1 1 137 . 3 1 1 A 35 35 ALA N N 13 121.856 122.642 -0.786 1 1 138 . 3 1 1 A 36 36 ALA H H 14 8.442 8.136 0.306 1 1 139 . 3 1 1 A 36 36 ALA HA H 14 3.691 4.265 -0.574 1 1 143 . 3 1 1 A 36 36 ALA C C 14 179.900 179.629 0.271 1 1 144 . 3 1 1 A 36 36 ALA CA C 14 55.754 54.777 0.977 1 1 145 . 3 1 1 A 36 36 ALA CB C 14 17.368 18.305 -0.937 1 1 146 . 3 1 1 A 36 36 ALA N N 14 117.191 119.379 -2.188 1 1 147 . 3 1 1 A 37 37 ARG H H 15 7.513 7.289 0.224 1 1 148 . 3 1 1 A 37 37 ARG HA H 15 4.097 4.095 0.002 1 1 155 . 3 1 1 A 37 37 ARG C C 15 178.720 178.641 0.079 1 1 156 . 3 1 1 A 37 37 ARG CA C 15 58.699 58.614 0.085 1 1 157 . 3 1 1 A 37 37 ARG CB C 15 30.024 29.841 0.183 1 1 160 . 3 1 1 A 37 37 ARG N N 15 118.952 118.913 0.039 1 1 161 . 3 1 1 A 38 38 TYR H H 16 7.632 7.996 -0.364 1 1 162 . 3 1 1 A 38 38 TYR HA H 16 4.433 4.355 0.078 1 1 166 . 3 1 1 A 38 38 TYR C C 16 178.110 178.284 -0.174 1 1 167 . 3 1 1 A 38 38 TYR CA C 16 58.473 60.946 -2.473 1 1 168 . 3 1 1 A 38 38 TYR CB C 16 36.286 37.591 -1.305 1 1 169 . 3 1 1 A 38 38 TYR N N 16 118.516 119.272 -0.756 1 1 170 . 3 1 1 A 39 39 VAL H H 17 8.680 7.593 1.087 1 1 171 . 3 1 1 A 39 39 VAL HA H 17 3.491 3.733 -0.242 1 1 179 . 3 1 1 A 39 39 VAL C C 17 177.450 178.220 -0.770 1 1 180 . 3 1 1 A 39 39 VAL CA C 17 68.093 66.357 1.736 1 1 181 . 3 1 1 A 39 39 VAL CB C 17 31.943 31.763 0.180 1 1 184 . 3 1 1 A 39 39 VAL N N 17 119.126 120.434 -1.308 1 1 185 . 3 1 1 A 40 40 ASN H H 18 7.813 7.968 -0.155 1 1 186 . 3 1 1 A 40 40 ASN HA H 18 4.280 4.514 -0.234 1 1 189 . 3 1 1 A 40 40 ASN C C 18 177.190 178.020 -0.830 1 1 190 . 3 1 1 A 40 40 ASN CA C 18 57.525 56.539 0.986 1 1 191 . 3 1 1 A 40 40 ASN CB C 18 39.474 37.821 1.653 1 1 192 . 3 1 1 A 40 40 ASN N N 18 118.013 117.373 0.640 1 1 193 . 3 1 1 A 41 41 ARG H H 19 8.425 8.159 0.266 1 1 194 . 3 1 1 A 41 41 ARG HA H 19 4.010 4.143 -0.133 1 1 201 . 3 1 1 A 41 41 ARG C C 19 180.050 179.093 0.957 1 1 202 . 3 1 1 A 41 41 ARG CA C 19 59.734 58.654 1.080 1 1 203 . 3 1 1 A 41 41 ARG CB C 19 30.877 29.840 1.037 1 1 206 . 3 1 1 A 41 41 ARG N N 19 116.687 120.787 -4.100 1 1 207 . 3 1 1 A 42 42 LEU H H 20 8.731 8.031 0.700 1 1 208 . 3 1 1 A 42 42 LEU HA H 20 3.904 4.031 -0.127 1 1 218 . 3 1 1 A 42 42 LEU C C 20 178.690 178.643 0.047 1 1 219 . 3 1 1 A 42 42 LEU CA C 20 58.238 57.847 0.391 1 1 220 . 3 1 1 A 42 42 LEU CB C 20 41.659 41.808 -0.149 1 1 224 . 3 1 1 A 42 42 LEU N N 20 120.849 119.933 0.916 1 1 225 . 3 1 1 A 43 43 CYS H H 21 8.241 8.654 -0.413 1 1 226 . 3 1 1 A 43 43 CYS HA H 21 4.268 4.197 0.071 1 1 229 . 3 1 1 A 43 43 CYS C C 21 177.530 176.663 0.867 1 1 230 . 3 1 1 A 43 43 CYS CA C 21 65.374 62.357 3.017 1 1 231 . 3 1 1 A 43 43 CYS CB C 21 27.962 27.451 0.511 1 1 232 . 3 1 1 A 43 43 CYS N N 21 115.952 117.853 -1.901 1 1 233 . 3 1 1 A 44 44 LYS H H 22 8.364 7.864 0.500 1 1 234 . 3 1 1 A 44 44 LYS HA H 22 4.091 4.268 -0.177 1 1 243 . 3 1 1 A 44 44 LYS C C 22 179.020 178.710 0.310 1 1 244 . 3 1 1 A 44 44 LYS CA C 22 59.004 57.852 1.152 1 1 245 . 3 1 1 A 44 44 LYS CB C 22 31.921 32.561 -0.640 1 1 249 . 3 1 1 A 44 44 LYS N N 22 119.823 119.636 0.187 1 1 250 . 3 1 1 A 45 45 HIS H H 23 8.036 8.191 -0.155 1 1 251 . 3 1 1 A 45 45 HIS HA H 23 4.408 4.042 0.366 1 1 255 . 3 1 1 A 45 45 HIS C C 23 177.870 176.813 1.057 1 1 256 . 3 1 1 A 45 45 HIS CA C 23 60.404 59.224 1.180 1 1 257 . 3 1 1 A 45 45 HIS CB C 23 30.954 30.313 0.641 1 1 258 . 3 1 1 A 45 45 HIS N N 23 118.729 120.811 -2.082 1 1 259 . 3 1 1 A 46 46 TRP H H 24 8.426 8.495 -0.069 1 1 260 . 3 1 1 A 46 46 TRP HA H 24 4.903 4.663 0.240 1 1 265 . 3 1 1 A 46 46 TRP C C 24 177.900 177.428 0.472 1 1 266 . 3 1 1 A 46 46 TRP CA C 24 58.973 58.931 0.042 1 1 267 . 3 1 1 A 46 46 TRP CB C 24 29.328 29.451 -0.123 1 1 268 . 3 1 1 A 46 46 TRP N N 24 117.297 116.355 0.942 1 1 270 . 3 1 1 A 47 47 GLY H H 25 8.254 8.197 0.057 1 1 271 . 3 1 1 A 47 47 GLY HA2 H 25 4.362 4.064 0.298 1 1 272 . 3 1 1 A 47 47 GLY HA3 H 25 3.936 4.130 -0.194 1 1 273 . 3 1 1 A 47 47 GLY CA C 25 46.812 47.434 -0.622 1 1 274 . 3 1 1 A 47 47 GLY N N 25 108.683 108.563 0.120 1 1 275 . 3 1 1 A 48 48 HIS C C 26 176.030 175.157 0.873 1 1 276 . 3 1 1 A 48 48 HIS CA C 26 58.358 57.868 0.490 1 1 277 . 3 1 1 A 48 48 HIS CB C 26 30.438 31.473 -1.035 1 1 278 . 3 1 1 A 49 49 LYS H H 27 7.544 7.924 -0.380 1 1 279 . 3 1 1 A 49 49 LYS HA H 27 4.236 4.292 -0.056 1 1 288 . 3 1 1 A 49 49 LYS C C 27 174.880 174.360 0.520 1 1 289 . 3 1 1 A 49 49 LYS CA C 27 56.572 55.118 1.454 1 1 290 . 3 1 1 A 49 49 LYS CB C 27 35.793 33.894 1.899 1 1 294 . 3 1 1 A 49 49 LYS N N 27 117.278 119.339 -2.061 1 1 295 . 3 1 1 A 50 50 PHE H H 28 8.178 7.710 0.468 1 1 296 . 3 1 1 A 50 50 PHE HA H 28 5.016 5.140 -0.124 1 1 301 . 3 1 1 A 50 50 PHE C C 28 174.190 174.911 -0.721 1 1 302 . 3 1 1 A 50 50 PHE CA C 28 55.756 56.202 -0.446 1 1 303 . 3 1 1 A 50 50 PHE CB C 28 41.140 43.236 -2.096 1 1 304 . 3 1 1 A 50 50 PHE N N 28 118.846 119.210 -0.364 1 1 305 . 3 1 1 A 51 51 GLU H H 29 7.812 8.593 -0.781 1 1 306 . 3 1 1 A 51 51 GLU HA H 29 4.449 4.614 -0.165 1 1 311 . 3 1 1 A 51 51 GLU C C 29 175.570 175.894 -0.324 1 1 312 . 3 1 1 A 51 51 GLU CA C 29 56.852 56.260 0.592 1 1 313 . 3 1 1 A 51 51 GLU CB C 29 30.207 29.468 0.739 1 1 315 . 3 1 1 A 51 51 GLU N N 29 120.355 121.716 -1.361 1 1 316 . 3 1 1 A 52 52 VAL H H 30 8.395 8.939 -0.544 1 1 317 . 3 1 1 A 52 52 VAL HA H 30 5.383 5.469 -0.086 1 1 325 . 3 1 1 A 52 52 VAL C C 30 175.850 174.370 1.480 1 1 326 . 3 1 1 A 52 52 VAL CA C 30 59.969 60.735 -0.766 1 1 327 . 3 1 1 A 52 52 VAL CB C 30 36.173 34.007 2.166 1 1 330 . 3 1 1 A 52 52 VAL N N 30 124.120 121.524 2.596 1 1 331 . 3 1 1 A 53 53 GLU H H 31 9.289 9.196 0.093 1 1 332 . 3 1 1 A 53 53 GLU HA H 31 4.717 4.973 -0.256 1 1 337 . 3 1 1 A 53 53 GLU C C 31 174.370 175.487 -1.117 1 1 338 . 3 1 1 A 53 53 GLU CA C 31 55.415 56.230 -0.815 1 1 339 . 3 1 1 A 53 53 GLU CB C 31 33.211 31.799 1.412 1 1 341 . 3 1 1 A 53 53 GLU N N 31 126.346 126.617 -0.271 1 1 342 . 3 1 1 A 54 54 LEU H H 32 8.763 8.667 0.096 1 1 343 . 3 1 1 A 54 54 LEU HA H 32 5.375 5.027 0.348 1 1 353 . 3 1 1 A 54 54 LEU C C 32 175.100 175.213 -0.113 1 1 354 . 3 1 1 A 54 54 LEU CA C 32 55.010 54.391 0.619 1 1 355 . 3 1 1 A 54 54 LEU CB C 32 45.485 45.364 0.121 1 1 359 . 3 1 1 A 54 54 LEU N N 32 126.898 123.805 3.093 1 1 360 . 3 1 1 A 55 55 THR H H 33 9.159 8.307 0.852 1 1 361 . 3 1 1 A 55 55 THR HA H 33 4.886 5.059 -0.173 1 1 366 . 3 1 1 A 55 55 THR CA C 33 59.489 58.471 1.018 1 1 367 . 3 1 1 A 55 55 THR CB C 33 69.241 70.004 -0.763 1 1 369 . 3 1 1 A 55 55 THR N N 33 121.246 117.373 3.873 1 1 370 . 3 1 1 A 56 56 PRO HA H 34 4.269 4.583 -0.314 1 1 377 . 3 1 1 A 56 56 PRO C C 34 177.750 175.766 1.984 1 1 378 . 3 1 1 A 56 56 PRO CA C 34 65.968 62.885 3.083 1 1 379 . 3 1 1 A 56 56 PRO CB C 34 31.786 29.797 1.989 1 1 382 . 3 1 1 A 57 57 GLU H H 35 8.148 8.614 -0.466 1 1 383 . 3 1 1 A 57 57 GLU HA H 35 4.351 4.530 -0.179 1 1 388 . 3 1 1 A 57 57 GLU C C 35 175.720 175.886 -0.166 1 1 389 . 3 1 1 A 57 57 GLU CA C 35 57.085 56.781 0.304 1 1 390 . 3 1 1 A 57 57 GLU CB C 35 30.299 32.418 -2.119 1 1 392 . 3 1 1 A 57 57 GLU N N 35 112.303 120.439 -8.136 1 1 393 . 3 1 1 A 58 58 ARG H H 36 7.777 7.842 -0.065 1 1 394 . 3 1 1 A 58 58 ARG HA H 36 5.418 5.107 0.311 1 1 401 . 3 1 1 A 58 58 ARG C C 36 173.610 173.899 -0.289 1 1 402 . 3 1 1 A 58 58 ARG CA C 36 55.576 55.005 0.571 1 1 403 . 3 1 1 A 58 58 ARG CB C 36 33.324 32.606 0.718 1 1 406 . 3 1 1 A 58 58 ARG N N 36 122.018 115.267 6.751 1 1 407 . 3 1 1 A 59 59 GLY H H 37 9.650 8.707 0.943 1 1 408 . 3 1 1 A 59 59 GLY HA2 H 37 5.484 4.356 1.128 1 1 409 . 3 1 1 A 59 59 GLY HA3 H 37 3.554 4.361 -0.807 1 1 410 . 3 1 1 A 59 59 GLY C C 37 171.630 172.011 -0.381 1 1 411 . 3 1 1 A 59 59 GLY CA C 37 44.563 44.093 0.470 1 1 412 . 3 1 1 A 59 59 GLY N N 37 113.745 106.999 6.746 1 1 413 . 3 1 1 A 60 60 PHE H H 38 9.138 8.547 0.591 1 1 414 . 3 1 1 A 60 60 PHE HA H 38 5.472 5.263 0.209 1 1 419 . 3 1 1 A 60 60 PHE C C 38 173.180 173.966 -0.786 1 1 420 . 3 1 1 A 60 60 PHE CA C 38 57.234 56.080 1.154 1 1 421 . 3 1 1 A 60 60 PHE CB C 38 43.107 42.247 0.860 1 1 422 . 3 1 1 A 60 60 PHE N N 38 124.144 122.940 1.204 1 1 423 . 3 1 1 A 61 61 ILE H H 39 8.618 8.594 0.024 1 1 424 . 3 1 1 A 61 61 ILE HA H 39 4.226 4.780 -0.554 1 1 434 . 3 1 1 A 61 61 ILE C C 39 172.950 173.880 -0.930 1 1 435 . 3 1 1 A 61 61 ILE CA C 39 60.357 60.450 -0.093 1 1 436 . 3 1 1 A 61 61 ILE CB C 39 41.488 39.698 1.790 1 1 440 . 3 1 1 A 61 61 ILE N N 39 126.753 127.498 -0.745 1 1 441 . 3 1 1 A 62 62 ASP H H 40 8.192 8.094 0.098 1 1 442 . 3 1 1 A 62 62 ASP HA H 40 4.464 5.290 -0.826 1 1 445 . 3 1 1 A 62 62 ASP C C 40 176.240 176.507 -0.267 1 1 446 . 3 1 1 A 62 62 ASP CA C 40 52.208 52.171 0.037 1 1 447 . 3 1 1 A 62 62 ASP CB C 40 41.489 42.753 -1.264 1 1 448 . 3 1 1 A 62 62 ASP N N 40 124.314 128.061 -3.747 1 1 449 . 3 1 1 A 63 63 PHE H H 41 8.165 8.706 -0.541 1 1 450 . 3 1 1 A 63 63 PHE HA H 41 4.007 4.826 -0.819 1 1 454 . 3 1 1 A 63 63 PHE C C 41 175.640 175.782 -0.142 1 1 455 . 3 1 1 A 63 63 PHE CA C 41 58.407 57.889 0.518 1 1 456 . 3 1 1 A 63 63 PHE CB C 41 38.486 39.332 -0.846 1 1 457 . 3 1 1 A 63 63 PHE N N 41 123.395 121.080 2.315 1 1 458 . 3 1 1 A 64 64 GLY H H 42 9.003 7.965 1.038 1 1 459 . 3 1 1 A 64 64 GLY HA2 H 42 4.675 4.025 0.650 1 1 460 . 3 1 1 A 64 64 GLY HA3 H 42 3.484 4.034 -0.550 1 1 461 . 3 1 1 A 64 64 GLY CA C 42 45.938 46.405 -0.467 1 1 462 . 3 1 1 A 64 64 GLY N N 42 112.196 107.861 4.335 1 1 463 . 3 1 1 A 65 65 ASP HA H 43 4.675 4.751 -0.076 1 1 466 . 3 1 1 A 65 65 ASP C C 43 176.170 174.275 1.895 1 1 467 . 3 1 1 A 65 65 ASP CA C 43 55.415 53.464 1.951 1 1 468 . 3 1 1 A 65 65 ASP CB C 43 41.379 38.913 2.466 1 1 469 . 3 1 1 A 66 66 SER H H 44 7.743 7.582 0.161 1 1 470 . 3 1 1 A 66 66 SER HA H 44 5.292 4.980 0.312 1 1 473 . 3 1 1 A 66 66 SER C C 44 172.190 172.219 -0.029 1 1 474 . 3 1 1 A 66 66 SER CA C 44 57.890 57.659 0.231 1 1 475 . 3 1 1 A 66 66 SER CB C 44 66.054 65.637 0.417 1 1 476 . 3 1 1 A 66 66 SER N N 44 112.796 111.567 1.229 1 1 477 . 3 1 1 A 67 67 ASN H H 45 9.075 8.892 0.183 1 1 478 . 3 1 1 A 67 67 ASN HA H 45 5.126 5.142 -0.016 1 1 481 . 3 1 1 A 67 67 ASN C C 45 172.300 173.220 -0.920 1 1 482 . 3 1 1 A 67 67 ASN CA C 45 52.997 51.876 1.121 1 1 483 . 3 1 1 A 67 67 ASN CB C 45 42.047 43.435 -1.388 1 1 484 . 3 1 1 A 67 67 ASN N N 45 114.955 117.002 -2.047 1 1 485 . 3 1 1 A 68 68 CYS H H 46 8.757 8.375 0.382 1 1 486 . 3 1 1 A 68 68 CYS HA H 46 5.652 5.078 0.574 1 1 489 . 3 1 1 A 68 68 CYS C C 46 170.650 172.504 -1.854 1 1 490 . 3 1 1 A 68 68 CYS CA C 46 56.668 58.080 -1.412 1 1 491 . 3 1 1 A 68 68 CYS CB C 46 31.195 29.664 1.531 1 1 492 . 3 1 1 A 68 68 CYS N N 46 119.184 117.685 1.499 1 1 493 . 3 1 1 A 69 69 GLU H H 47 9.587 9.220 0.367 1 1 494 . 3 1 1 A 69 69 GLU HA H 47 5.283 5.572 -0.289 1 1 499 . 3 1 1 A 69 69 GLU C C 47 174.190 175.022 -0.832 1 1 500 . 3 1 1 A 69 69 GLU CA C 47 54.401 55.403 -1.002 1 1 501 . 3 1 1 A 69 69 GLU CB C 47 33.607 32.158 1.449 1 1 503 . 3 1 1 A 69 69 GLU N N 47 131.612 126.997 4.615 1 1 504 . 3 1 1 A 70 70 LEU H H 48 9.523 8.604 0.919 1 1 505 . 3 1 1 A 70 70 LEU HA H 48 5.314 4.950 0.364 1 1 515 . 3 1 1 A 70 70 LEU C C 48 174.730 173.746 0.984 1 1 516 . 3 1 1 A 70 70 LEU CA C 48 53.570 54.561 -0.991 1 1 517 . 3 1 1 A 70 70 LEU CB C 48 46.109 45.764 0.345 1 1 521 . 3 1 1 A 70 70 LEU N N 48 125.069 124.809 0.260 1 1 522 . 3 1 1 A 71 71 LEU H H 49 9.493 9.527 -0.034 1 1 523 . 3 1 1 A 71 71 LEU HA H 49 5.001 5.102 -0.101 1 1 533 . 3 1 1 A 71 71 LEU C C 49 175.310 175.008 0.302 1 1 534 . 3 1 1 A 71 71 LEU CA C 49 53.809 53.798 0.011 1 1 535 . 3 1 1 A 71 71 LEU CB C 49 42.880 44.178 -1.298 1 1 539 . 3 1 1 A 71 71 LEU N N 49 123.714 128.912 -5.198 1 1 540 . 3 1 1 A 72 72 ALA H H 50 8.255 8.553 -0.298 1 1 541 . 3 1 1 A 72 72 ALA HA H 50 4.307 5.149 -0.842 1 1 545 . 3 1 1 A 72 72 ALA C C 50 174.800 175.293 -0.493 1 1 546 . 3 1 1 A 72 72 ALA CA C 50 51.618 51.464 0.154 1 1 547 . 3 1 1 A 72 72 ALA CB C 50 18.634 21.457 -2.823 1 1 548 . 3 1 1 A 72 72 ALA N N 50 125.398 128.247 -2.849 1 1 549 . 3 1 1 A 73 73 HIS H H 51 8.053 9.498 -1.445 1 1 550 . 3 1 1 A 73 73 HIS HA H 51 4.953 4.926 0.027 1 1 554 . 3 1 1 A 73 73 HIS CA C 51 54.682 53.906 0.776 1 1 555 . 3 1 1 A 73 73 HIS CB C 51 31.150 32.361 -1.211 1 1 556 . 3 1 1 A 73 73 HIS N N 51 123.172 124.413 -1.241 1 1 557 . 3 1 1 A 74 74 PRO HA H 52 4.385 4.133 0.252 1 1 564 . 3 1 1 A 74 74 PRO C C 52 176.370 176.877 -0.507 1 1 565 . 3 1 1 A 74 74 PRO CA C 52 65.625 64.980 0.645 1 1 566 . 3 1 1 A 74 74 PRO CB C 52 32.014 31.921 0.093 1 1 569 . 3 1 1 A 75 75 ASP H H 53 8.303 8.204 0.099 1 1 570 . 3 1 1 A 75 75 ASP HA H 53 4.955 5.374 -0.419 1 1 573 . 3 1 1 A 75 75 ASP C C 53 177.380 175.217 2.163 1 1 574 . 3 1 1 A 75 75 ASP CA C 53 52.034 53.335 -1.301 1 1 575 . 3 1 1 A 75 75 ASP CB C 53 41.826 43.043 -1.217 1 1 576 . 3 1 1 A 75 75 ASP N N 53 109.961 116.997 -7.036 1 1 577 . 3 1 1 A 76 76 HIS H H 54 7.379 7.609 -0.230 1 1 578 . 3 1 1 A 76 76 HIS HA H 54 5.421 5.458 -0.037 1 1 582 . 3 1 1 A 76 76 HIS C C 54 172.470 172.843 -0.373 1 1 583 . 3 1 1 A 76 76 HIS CA C 54 56.943 54.339 2.604 1 1 584 . 3 1 1 A 76 76 HIS CB C 54 29.909 33.709 -3.800 1 1 585 . 3 1 1 A 76 76 HIS N N 54 114.752 116.344 -1.592 1 1 586 . 3 1 1 A 77 77 VAL H H 55 8.933 8.631 0.302 1 1 587 . 3 1 1 A 77 77 VAL HA H 55 4.837 5.133 -0.296 1 1 595 . 3 1 1 A 77 77 VAL C C 55 173.420 173.972 -0.552 1 1 596 . 3 1 1 A 77 77 VAL CA C 55 59.429 59.934 -0.505 1 1 597 . 3 1 1 A 77 77 VAL CB C 55 35.121 35.603 -0.482 1 1 600 . 3 1 1 A 77 77 VAL N N 55 117.287 119.717 -2.430 1 1 601 . 3 1 1 A 78 78 LEU H H 56 9.004 9.548 -0.544 1 1 602 . 3 1 1 A 78 78 LEU HA H 56 5.466 5.245 0.221 1 1 612 . 3 1 1 A 78 78 LEU C C 56 175.140 175.750 -0.610 1 1 613 . 3 1 1 A 78 78 LEU CA C 56 53.084 53.737 -0.653 1 1 614 . 3 1 1 A 78 78 LEU CB C 56 44.499 45.596 -1.097 1 1 618 . 3 1 1 A 78 78 LEU N N 56 130.334 128.038 2.296 1 1 619 . 3 1 1 A 79 79 MET H H 57 9.381 8.874 0.507 1 1 620 . 3 1 1 A 79 79 MET HA H 57 5.678 5.258 0.420 1 1 625 . 3 1 1 A 79 79 MET C C 57 175.160 174.649 0.511 1 1 626 . 3 1 1 A 79 79 MET CA C 57 54.216 54.330 -0.114 1 1 627 . 3 1 1 A 79 79 MET CB C 57 37.309 35.154 2.155 1 1 629 . 3 1 1 A 79 79 MET N N 57 124.304 122.252 2.052 1 1 630 . 3 1 1 A 80 80 ILE H H 58 9.552 8.691 0.861 1 1 631 . 3 1 1 A 80 80 ILE HA H 58 4.957 5.146 -0.189 1 1 641 . 3 1 1 A 80 80 ILE C C 58 175.160 175.452 -0.292 1 1 642 . 3 1 1 A 80 80 ILE CA C 58 61.338 60.100 1.238 1 1 643 . 3 1 1 A 80 80 ILE CB C 58 41.092 41.352 -0.260 1 1 647 . 3 1 1 A 80 80 ILE N N 58 122.359 124.685 -2.326 1 1 648 . 3 1 1 A 81 81 LEU H H 59 9.549 9.162 0.387 1 1 649 . 3 1 1 A 81 81 LEU HA H 59 5.274 5.175 0.099 1 1 659 . 3 1 1 A 81 81 LEU C C 59 174.280 175.289 -1.009 1 1 660 . 3 1 1 A 81 81 LEU CA C 59 53.621 52.614 1.007 1 1 661 . 3 1 1 A 81 81 LEU CB C 59 46.837 45.206 1.631 1 1 665 . 3 1 1 A 81 81 LEU N N 59 131.901 124.200 7.701 1 1 666 . 3 1 1 A 82 82 ASN H H 60 8.516 8.411 0.105 1 1 667 . 3 1 1 A 82 82 ASN HA H 60 5.851 5.476 0.375 1 1 670 . 3 1 1 A 82 82 ASN C C 60 174.840 173.995 0.845 1 1 671 . 3 1 1 A 82 82 ASN CA C 60 52.549 52.041 0.508 1 1 672 . 3 1 1 A 82 82 ASN CB C 60 43.188 39.700 3.488 1 1 673 . 3 1 1 A 82 82 ASN N N 60 120.142 118.863 1.279 1 1 674 . 3 1 1 A 83 83 SER H H 61 9.176 8.384 0.792 1 1 675 . 3 1 1 A 83 83 SER HA H 61 5.295 4.865 0.430 1 1 678 . 3 1 1 A 83 83 SER CA C 61 57.388 55.725 1.663 1 1 679 . 3 1 1 A 83 83 SER CB C 61 68.052 66.185 1.867 1 1 680 . 3 1 1 A 83 83 SER N N 61 116.871 119.344 -2.473 1 1 681 . 3 1 1 A 84 84 PRO HA H 62 4.907 4.053 0.854 1 1 688 . 3 1 1 A 84 84 PRO C C 62 175.210 175.174 0.036 1 1 689 . 3 1 1 A 84 84 PRO CA C 62 64.539 63.656 0.883 1 1 690 . 3 1 1 A 84 84 PRO CB C 62 32.726 31.689 1.037 1 1 693 . 3 1 1 A 85 85 ASP H H 63 7.228 7.727 -0.499 1 1 694 . 3 1 1 A 85 85 ASP HA H 63 4.630 5.269 -0.639 1 1 697 . 3 1 1 A 85 85 ASP C C 63 174.540 175.912 -1.372 1 1 698 . 3 1 1 A 85 85 ASP CA C 63 53.119 53.454 -0.335 1 1 699 . 3 1 1 A 85 85 ASP CB C 63 42.880 43.360 -0.480 1 1 700 . 3 1 1 A 85 85 ASP N N 63 112.313 118.391 -6.078 1 1 701 . 3 1 1 A 86 86 GLU H H 64 8.761 9.470 -0.709 1 1 702 . 3 1 1 A 86 86 GLU HA H 64 3.321 4.124 -0.803 1 1 707 . 3 1 1 A 86 86 GLU C C 64 178.440 178.606 -0.166 1 1 708 . 3 1 1 A 86 86 GLU CA C 64 59.937 59.617 0.320 1 1 709 . 3 1 1 A 86 86 GLU CB C 64 29.707 29.590 0.117 1 1 711 . 3 1 1 A 86 86 GLU N N 64 120.055 125.663 -5.608 1 1 712 . 3 1 1 A 87 87 ASP H H 65 8.332 8.120 0.212 1 1 713 . 3 1 1 A 87 87 ASP HA H 65 4.414 4.313 0.101 1 1 716 . 3 1 1 A 87 87 ASP C C 65 179.400 178.106 1.294 1 1 717 . 3 1 1 A 87 87 ASP CA C 65 57.203 57.669 -0.466 1 1 718 . 3 1 1 A 87 87 ASP CB C 65 40.323 41.258 -0.935 1 1 719 . 3 1 1 A 87 87 ASP N N 65 121.933 120.422 1.511 1 1 720 . 3 1 1 A 88 88 SER H H 66 8.949 7.956 0.993 1 1 721 . 3 1 1 A 88 88 SER HA H 66 4.169 4.225 -0.056 1 1 724 . 3 1 1 A 88 88 SER C C 66 176.110 177.058 -0.948 1 1 725 . 3 1 1 A 88 88 SER CA C 66 62.032 61.603 0.429 1 1 726 . 3 1 1 A 88 88 SER CB C 66 62.178 63.079 -0.901 1 1 727 . 3 1 1 A 88 88 SER N N 66 119.726 113.811 5.915 1 1 728 . 3 1 1 A 89 89 LEU H H 67 7.737 8.856 -1.119 1 1 729 . 3 1 1 A 89 89 LEU HA H 67 4.017 4.387 -0.370 1 1 739 . 3 1 1 A 89 89 LEU C C 67 177.790 178.180 -0.390 1 1 740 . 3 1 1 A 89 89 LEU CA C 67 57.958 58.371 -0.413 1 1 741 . 3 1 1 A 89 89 LEU CB C 67 42.394 42.271 0.123 1 1 745 . 3 1 1 A 89 89 LEU N N 67 122.942 122.258 0.684 1 1 746 . 3 1 1 A 90 90 ALA H H 68 7.483 9.381 -1.898 1 1 747 . 3 1 1 A 90 90 ALA HA H 68 3.780 3.981 -0.201 1 1 751 . 3 1 1 A 90 90 ALA C C 68 180.410 179.340 1.070 1 1 752 . 3 1 1 A 90 90 ALA CA C 68 54.782 54.693 0.089 1 1 753 . 3 1 1 A 90 90 ALA CB C 68 17.857 18.463 -0.606 1 1 754 . 3 1 1 A 90 90 ALA N N 68 119.446 120.479 -1.033 1 1 755 . 3 1 1 A 91 91 HIS H H 69 7.707 8.197 -0.490 1 1 756 . 3 1 1 A 91 91 HIS HA H 69 4.377 3.981 0.396 1 1 760 . 3 1 1 A 91 91 HIS C C 69 177.865 177.069 0.796 1 1 761 . 3 1 1 A 91 91 HIS CA C 69 59.518 59.508 0.010 1 1 762 . 3 1 1 A 91 91 HIS CB C 69 30.954 29.554 1.400 1 1 763 . 3 1 1 A 91 91 HIS N N 69 116.881 117.947 -1.066 1 1 764 . 3 1 1 A 92 92 MET H H 70 8.467 8.469 -0.002 1 1 765 . 3 1 1 A 92 92 MET HA H 70 4.087 3.825 0.262 1 1 770 . 3 1 1 A 92 92 MET C C 70 178.390 177.949 0.441 1 1 771 . 3 1 1 A 92 92 MET CA C 70 55.584 58.519 -2.935 1 1 772 . 3 1 1 A 92 92 MET CB C 70 29.773 33.247 -3.474 1 1 774 . 3 1 1 A 92 92 MET N N 70 116.968 116.763 0.205 1 1 775 . 3 1 1 A 93 93 GLN H H 71 8.309 8.298 0.011 1 1 776 . 3 1 1 A 93 93 GLN HA H 71 2.874 3.955 -1.081 1 1 781 . 3 1 1 A 93 93 GLN C C 71 178.420 178.118 0.302 1 1 782 . 3 1 1 A 93 93 GLN CA C 71 58.852 58.452 0.400 1 1 783 . 3 1 1 A 93 93 GLN CB C 71 27.658 27.890 -0.232 1 1 785 . 3 1 1 A 93 93 GLN N N 71 120.665 117.126 3.539 1 1 786 . 3 1 1 A 94 94 ASN H H 72 6.899 8.237 -1.338 1 1 787 . 3 1 1 A 94 94 ASN HA H 72 4.596 4.422 0.174 1 1 790 . 3 1 1 A 94 94 ASN C C 72 177.380 177.375 0.005 1 1 791 . 3 1 1 A 94 94 ASN CA C 72 56.037 55.753 0.284 1 1 792 . 3 1 1 A 94 94 ASN CB C 72 38.219 38.553 -0.334 1 1 793 . 3 1 1 A 94 94 ASN N N 72 116.271 118.930 -2.659 1 1 794 . 3 1 1 A 95 95 VAL H H 73 8.050 7.639 0.411 1 1 795 . 3 1 1 A 95 95 VAL HA H 73 3.983 3.476 0.507 1 1 803 . 3 1 1 A 95 95 VAL C C 73 180.050 178.179 1.871 1 1 804 . 3 1 1 A 95 95 VAL CA C 73 66.515 65.959 0.556 1 1 805 . 3 1 1 A 95 95 VAL CB C 73 32.587 31.232 1.355 1 1 808 . 3 1 1 A 95 95 VAL N N 73 121.798 119.117 2.681 1 1 809 . 3 1 1 A 96 96 VAL H H 74 9.082 7.579 1.503 1 1 810 . 3 1 1 A 96 96 VAL HA H 74 3.986 2.808 1.178 1 1 818 . 3 1 1 A 96 96 VAL C C 74 177.490 177.949 -0.459 1 1 819 . 3 1 1 A 96 96 VAL CA C 74 67.947 66.034 1.913 1 1 820 . 3 1 1 A 96 96 VAL CB C 74 31.966 31.277 0.689 1 1 823 . 3 1 1 A 96 96 VAL N N 74 120.549 120.548 0.001 1 1 824 . 3 1 1 A 97 97 ALA H H 75 8.285 7.657 0.628 1 1 825 . 3 1 1 A 97 97 ALA HA H 75 4.108 3.953 0.155 1 1 829 . 3 1 1 A 97 97 ALA C C 75 179.320 179.285 0.035 1 1 830 . 3 1 1 A 97 97 ALA CA C 75 56.117 54.879 1.238 1 1 831 . 3 1 1 A 97 97 ALA CB C 75 19.867 18.476 1.391 1 1 832 . 3 1 1 A 97 97 ALA N N 75 120.375 121.573 -1.198 1 1 833 . 3 1 1 A 98 98 ASP H H 76 8.522 7.559 0.963 1 1 834 . 3 1 1 A 98 98 ASP HA H 76 4.356 4.373 -0.017 1 1 837 . 3 1 1 A 98 98 ASP C C 76 179.100 178.572 0.528 1 1 838 . 3 1 1 A 98 98 ASP CA C 76 57.252 57.216 0.036 1 1 839 . 3 1 1 A 98 98 ASP CB C 76 41.335 41.140 0.195 1 1 840 . 3 1 1 A 98 98 ASP N N 76 116.871 118.455 -1.584 1 1 841 . 3 1 1 A 99 99 HIS H H 77 8.162 7.833 0.329 1 1 842 . 3 1 1 A 99 99 HIS HA H 77 3.847 4.392 -0.545 1 1 846 . 3 1 1 A 99 99 HIS C C 77 177.440 178.071 -0.631 1 1 847 . 3 1 1 A 99 99 HIS CA C 77 61.636 59.312 2.324 1 1 848 . 3 1 1 A 99 99 HIS CB C 77 29.328 29.881 -0.553 1 1 849 . 3 1 1 A 99 99 HIS N N 77 116.758 118.894 -2.136 1 1 850 . 3 1 1 A 100 100 LEU H H 78 8.718 8.351 0.367 1 1 851 . 3 1 1 A 100 100 LEU HA H 78 3.862 3.979 -0.117 1 1 861 . 3 1 1 A 100 100 LEU C C 78 177.720 179.474 -1.754 1 1 862 . 3 1 1 A 100 100 LEU CA C 78 58.746 57.471 1.275 1 1 863 . 3 1 1 A 100 100 LEU CB C 78 40.324 41.147 -0.823 1 1 867 . 3 1 1 A 100 100 LEU N N 78 120.332 119.256 1.076 1 1 868 . 3 1 1 A 101 101 GLN H H 79 8.167 8.327 -0.160 1 1 869 . 3 1 1 A 101 101 GLN HA H 79 3.973 3.948 0.025 1 1 874 . 3 1 1 A 101 101 GLN C C 79 178.990 178.356 0.634 1 1 875 . 3 1 1 A 101 101 GLN CA C 79 58.359 59.216 -0.857 1 1 876 . 3 1 1 A 101 101 GLN CB C 79 29.575 28.733 0.842 1 1 878 . 3 1 1 A 101 101 GLN N N 79 115.715 119.721 -4.006 1 1 879 . 3 1 1 A 102 102 ARG H H 80 7.835 7.907 -0.072 1 1 880 . 3 1 1 A 102 102 ARG HA H 80 3.990 4.000 -0.010 1 1 887 . 3 1 1 A 102 102 ARG C C 80 178.540 178.581 -0.041 1 1 888 . 3 1 1 A 102 102 ARG CA C 80 58.789 58.934 -0.145 1 1 889 . 3 1 1 A 102 102 ARG CB C 80 30.218 29.938 0.280 1 1 892 . 3 1 1 A 102 102 ARG N N 80 118.207 120.158 -1.951 1 1 893 . 3 1 1 A 103 103 MET H H 81 7.645 8.075 -0.430 1 1 894 . 3 1 1 A 103 103 MET HA H 81 4.353 4.182 0.171 1 1 899 . 3 1 1 A 103 103 MET C C 81 176.300 175.781 0.519 1 1 900 . 3 1 1 A 103 103 MET CA C 81 55.646 56.713 -1.067 1 1 901 . 3 1 1 A 103 103 MET CB C 81 32.620 31.961 0.659 1 1 903 . 3 1 1 A 103 103 MET N N 81 116.250 115.358 0.892 1 1 904 . 3 1 1 A 104 104 ALA H H 82 7.324 7.562 -0.238 1 1 905 . 3 1 1 A 104 104 ALA HA H 82 4.386 4.701 -0.315 1 1 909 . 3 1 1 A 104 104 ALA CA C 82 51.004 50.687 0.317 1 1 910 . 3 1 1 A 104 104 ALA CB C 82 17.678 20.348 -2.670 1 1 911 . 3 1 1 A 104 104 ALA N N 82 123.602 122.262 1.340 1 1 912 . 3 1 1 A 106 106 SER HA H 84 4.610 4.680 -0.070 1 1 915 . 3 1 1 A 106 106 SER C C 84 173.480 173.531 -0.051 1 1 916 . 3 1 1 A 106 106 SER CA C 84 58.041 58.440 -0.399 1 1 917 . 3 1 1 A 106 106 SER CB C 84 64.139 65.320 -1.181 1 1 918 . 3 1 1 A 107 107 GLU H H 85 7.443 7.785 -0.342 1 1 919 . 3 1 1 A 107 107 GLU HA H 85 4.640 4.676 -0.036 1 1 924 . 3 1 1 A 107 107 GLU CA C 85 55.058 55.084 -0.026 1 1 925 . 3 1 1 A 107 107 GLU CB C 85 32.203 32.235 -0.032 1 1 927 . 3 1 1 A 107 107 GLU N N 85 119.316 117.926 1.390 1 1 928 . 3 1 1 A 108 108 SER HA H 86 4.549 4.539 0.010 1 1 931 . 3 1 1 A 108 108 SER C C 86 174.220 173.967 0.253 1 1 932 . 3 1 1 A 108 108 SER CA C 86 57.291 57.836 -0.545 1 1 933 . 3 1 1 A 108 108 SER CB C 86 62.819 61.389 1.430 1 1 934 . 3 1 1 A 109 109 LEU H H 87 9.011 8.453 0.558 1 1 935 . 3 1 1 A 109 109 LEU HA H 87 4.606 3.951 0.655 1 1 945 . 3 1 1 A 109 109 LEU C C 87 176.720 176.231 0.489 1 1 946 . 3 1 1 A 109 109 LEU CA C 87 54.024 55.541 -1.517 1 1 947 . 3 1 1 A 109 109 LEU CB C 87 43.358 40.798 2.560 1 1 951 . 3 1 1 A 109 109 LEU N N 87 126.582 121.303 5.279 1 1 952 . 3 1 1 A 110 110 GLU H H 88 8.530 8.895 -0.365 1 1 953 . 3 1 1 A 110 110 GLU HA H 88 4.541 4.568 -0.027 1 1 958 . 3 1 1 A 110 110 GLU C C 88 175.340 176.001 -0.661 1 1 959 . 3 1 1 A 110 110 GLU CA C 88 55.555 56.442 -0.887 1 1 960 . 3 1 1 A 110 110 GLU CB C 88 29.970 29.968 0.002 1 1 962 . 3 1 1 A 110 110 GLU N N 88 123.263 125.568 -2.305 1 1 963 . 3 1 1 A 111 111 ILE H H 89 8.842 8.487 0.355 1 1 964 . 3 1 1 A 111 111 ILE HA H 89 3.911 4.977 -1.066 1 1 974 . 3 1 1 A 111 111 ILE C C 89 173.250 174.014 -0.764 1 1 975 . 3 1 1 A 111 111 ILE CA C 89 61.207 59.275 1.932 1 1 976 . 3 1 1 A 111 111 ILE CB C 89 38.989 41.252 -2.263 1 1 980 . 3 1 1 A 111 111 ILE N N 89 128.558 121.845 6.713 1 1 981 . 3 1 1 A 112 112 ALA H H 90 8.651 8.909 -0.258 1 1 982 . 3 1 1 A 112 112 ALA HA H 90 4.733 4.875 -0.142 1 1 986 . 3 1 1 A 112 112 ALA C C 90 177.040 176.522 0.518 1 1 987 . 3 1 1 A 112 112 ALA CA C 90 50.598 50.256 0.342 1 1 988 . 3 1 1 A 112 112 ALA CB C 90 21.517 19.978 1.539 1 1 989 . 3 1 1 A 112 112 ALA N N 90 131.215 127.961 3.254 1 1 990 . 3 1 1 A 113 113 TRP H H 91 9.084 8.522 0.562 1 1 991 . 3 1 1 A 113 113 TRP HA H 91 5.129 5.195 -0.066 1 1 996 . 3 1 1 A 113 113 TRP C C 91 176.725 176.237 0.488 1 1 997 . 3 1 1 A 113 113 TRP CA C 91 56.263 55.475 0.788 1 1 998 . 3 1 1 A 113 113 TRP CB C 91 31.282 31.091 0.191 1 1 999 . 3 1 1 A 113 113 TRP N N 91 125.391 124.547 0.844 1 1 1001 . 3 1 1 A 114 114 GLN H H 92 9.712 9.256 0.456 1 1 1002 . 3 1 1 A 114 114 GLN HA H 92 5.078 4.528 0.550 1 1 1007 . 3 1 1 A 114 114 GLN CA C 92 52.872 54.231 -1.359 1 1 1008 . 3 1 1 A 114 114 GLN CB C 92 30.288 28.286 2.002 1 1 1010 . 3 1 1 A 114 114 GLN N N 92 122.696 121.384 1.312 1 1 1011 . 3 1 1 A 115 115 PRO HA H 93 4.689 4.557 0.132 1 1 1018 . 3 1 1 A 115 115 PRO C C 93 176.690 177.105 -0.415 1 1 1019 . 3 1 1 A 115 115 PRO CA C 93 63.246 65.263 -2.017 1 1 1020 . 3 1 1 A 115 115 PRO CB C 93 32.152 31.804 0.348 1 1 1023 . 3 1 1 A 116 116 ALA H H 94 8.429 8.008 0.421 1 1 1024 . 3 1 1 A 116 116 ALA HA H 94 4.615 4.534 0.081 1 1 1028 . 3 1 1 A 116 116 ALA C C 94 177.230 176.090 1.140 1 1 1029 . 3 1 1 A 116 116 ALA CA C 94 51.966 53.709 -1.743 1 1 1030 . 3 1 1 A 116 116 ALA CB C 94 20.497 17.798 2.699 1 1 1031 . 3 1 1 A 116 116 ALA N N 94 125.566 119.476 6.090 1 1 1032 . 3 1 1 A 117 117 GLU H H 95 8.754 7.798 0.956 1 1 1033 . 3 1 1 A 117 117 GLU HA H 95 4.479 4.868 -0.389 1 1 1038 . 3 1 1 A 117 117 GLU CA C 95 56.146 56.075 0.071 1 1 1039 . 3 1 1 A 117 117 GLU CB C 95 30.856 33.252 -2.396 1 1 11 . 4 1 1 A 24 24 PHE H H 2 8.940 8.626 0.314 1 1 12 . 4 1 1 A 24 24 PHE HA H 2 4.540 5.072 -0.532 1 1 17 . 4 1 1 A 24 24 PHE C C 2 173.640 175.361 -1.721 1 1 18 . 4 1 1 A 24 24 PHE CA C 2 58.262 57.221 1.041 1 1 19 . 4 1 1 A 24 24 PHE CB C 2 40.639 42.070 -1.431 1 1 20 . 4 1 1 A 24 24 PHE N N 2 121.410 123.824 -2.414 1 1 21 . 4 1 1 A 25 25 ARG H H 3 8.559 8.879 -0.320 1 1 22 . 4 1 1 A 25 25 ARG HA H 3 5.932 5.059 0.873 1 1 29 . 4 1 1 A 25 25 ARG C C 3 175.870 173.997 1.873 1 1 30 . 4 1 1 A 25 25 ARG CA C 3 53.965 55.201 -1.236 1 1 31 . 4 1 1 A 25 25 ARG CB C 3 34.959 33.687 1.272 1 1 34 . 4 1 1 A 25 25 ARG N N 3 123.288 121.094 2.194 1 1 35 . 4 1 1 A 26 26 SER H H 4 9.096 8.970 0.126 1 1 36 . 4 1 1 A 26 26 SER HA H 4 5.306 5.535 -0.229 1 1 39 . 4 1 1 A 26 26 SER C C 4 173.230 172.837 0.393 1 1 40 . 4 1 1 A 26 26 SER CA C 4 56.908 56.404 0.504 1 1 41 . 4 1 1 A 26 26 SER CB C 4 66.846 66.692 0.154 1 1 42 . 4 1 1 A 26 26 SER N N 4 120.152 119.572 0.580 1 1 43 . 4 1 1 A 27 27 THR H H 5 8.889 8.924 -0.035 1 1 44 . 4 1 1 A 27 27 THR HA H 5 6.172 5.632 0.540 1 1 49 . 4 1 1 A 27 27 THR C C 5 173.740 172.085 1.655 1 1 50 . 4 1 1 A 27 27 THR CA C 5 59.621 60.731 -1.110 1 1 51 . 4 1 1 A 27 27 THR CB C 5 75.444 71.530 3.914 1 1 53 . 4 1 1 A 27 27 THR N N 5 112.196 114.747 -2.551 1 1 54 . 4 1 1 A 28 28 SER H H 6 8.945 9.093 -0.148 1 1 55 . 4 1 1 A 28 28 SER HA H 6 4.643 5.416 -0.773 1 1 58 . 4 1 1 A 28 28 SER C C 6 173.400 172.825 0.575 1 1 59 . 4 1 1 A 28 28 SER CA C 6 57.727 57.097 0.630 1 1 60 . 4 1 1 A 28 28 SER CB C 6 65.115 64.418 0.697 1 1 61 . 4 1 1 A 28 28 SER N N 6 115.468 122.008 -6.540 1 1 62 . 4 1 1 A 29 29 HIS H H 7 8.713 9.040 -0.327 1 1 63 . 4 1 1 A 29 29 HIS HA H 7 5.046 5.490 -0.444 1 1 67 . 4 1 1 A 29 29 HIS C C 7 175.330 173.713 1.617 1 1 68 . 4 1 1 A 29 29 HIS CA C 7 55.507 53.840 1.667 1 1 69 . 4 1 1 A 29 29 HIS CB C 7 31.214 32.620 -1.406 1 1 70 . 4 1 1 A 29 29 HIS N N 7 130.131 127.805 2.326 1 1 71 . 4 1 1 A 30 30 VAL H H 8 9.318 8.649 0.669 1 1 72 . 4 1 1 A 30 30 VAL HA H 8 4.431 4.821 -0.390 1 1 80 . 4 1 1 A 30 30 VAL C C 8 175.620 174.812 0.808 1 1 81 . 4 1 1 A 30 30 VAL CA C 8 61.142 60.305 0.837 1 1 82 . 4 1 1 A 30 30 VAL CB C 8 33.063 35.762 -2.699 1 1 85 . 4 1 1 A 30 30 VAL N N 8 128.679 126.475 2.204 1 1 86 . 4 1 1 A 31 31 ARG H H 9 9.212 8.644 0.568 1 1 87 . 4 1 1 A 31 31 ARG HA H 9 4.517 5.035 -0.518 1 1 94 . 4 1 1 A 31 31 ARG C C 9 176.520 175.858 0.662 1 1 95 . 4 1 1 A 31 31 ARG CA C 9 57.458 55.384 2.074 1 1 96 . 4 1 1 A 31 31 ARG CB C 9 29.842 30.881 -1.039 1 1 99 . 4 1 1 A 31 31 ARG N N 9 128.640 125.699 2.941 1 1 100 . 4 1 1 A 32 32 THR H H 10 7.941 8.902 -0.961 1 1 101 . 4 1 1 A 32 32 THR HA H 10 4.627 5.071 -0.444 1 1 105 . 4 1 1 A 32 32 THR C C 10 172.560 172.783 -0.223 1 1 106 . 4 1 1 A 32 32 THR CA C 10 61.473 60.146 1.327 1 1 107 . 4 1 1 A 32 32 THR CB C 10 66.191 73.132 -6.941 1 1 109 . 4 1 1 A 32 32 THR N N 10 120.036 118.632 1.404 1 1 110 . 4 1 1 A 33 33 GLU H H 11 9.022 8.964 0.058 1 1 111 . 4 1 1 A 33 33 GLU HA H 11 4.731 4.787 -0.056 1 1 116 . 4 1 1 A 33 33 GLU C C 11 177.810 176.841 0.969 1 1 117 . 4 1 1 A 33 33 GLU CA C 11 57.466 55.369 2.097 1 1 118 . 4 1 1 A 33 33 GLU CB C 11 30.044 31.763 -1.719 1 1 120 . 4 1 1 A 33 33 GLU N N 11 126.859 124.264 2.595 1 1 121 . 4 1 1 A 34 34 SER H H 12 8.930 9.279 -0.349 1 1 122 . 4 1 1 A 34 34 SER HA H 12 4.795 4.086 0.709 1 1 125 . 4 1 1 A 34 34 SER C C 12 173.360 174.450 -1.090 1 1 126 . 4 1 1 A 34 34 SER CA C 12 56.842 58.980 -2.138 1 1 127 . 4 1 1 A 34 34 SER CB C 12 63.756 62.542 1.214 1 1 128 . 4 1 1 A 34 34 SER N N 12 119.717 118.506 1.211 1 1 129 . 4 1 1 A 35 35 ALA H H 13 8.756 7.733 1.023 1 1 130 . 4 1 1 A 35 35 ALA HA H 13 3.542 3.845 -0.303 1 1 134 . 4 1 1 A 35 35 ALA C C 13 178.560 179.117 -0.557 1 1 135 . 4 1 1 A 35 35 ALA CA C 13 56.288 55.091 1.197 1 1 136 . 4 1 1 A 35 35 ALA CB C 13 21.558 18.766 2.792 1 1 137 . 4 1 1 A 35 35 ALA N N 13 121.856 122.638 -0.782 1 1 138 . 4 1 1 A 36 36 ALA H H 14 8.442 7.998 0.444 1 1 139 . 4 1 1 A 36 36 ALA HA H 14 3.691 4.311 -0.620 1 1 143 . 4 1 1 A 36 36 ALA C C 14 179.900 179.509 0.391 1 1 144 . 4 1 1 A 36 36 ALA CA C 14 55.754 54.755 0.999 1 1 145 . 4 1 1 A 36 36 ALA CB C 14 17.368 18.273 -0.905 1 1 146 . 4 1 1 A 36 36 ALA N N 14 117.191 119.558 -2.367 1 1 147 . 4 1 1 A 37 37 ARG H H 15 7.513 7.229 0.284 1 1 148 . 4 1 1 A 37 37 ARG HA H 15 4.097 4.054 0.043 1 1 155 . 4 1 1 A 37 37 ARG C C 15 178.720 178.534 0.186 1 1 156 . 4 1 1 A 37 37 ARG CA C 15 58.699 58.687 0.012 1 1 157 . 4 1 1 A 37 37 ARG CB C 15 30.024 29.923 0.101 1 1 160 . 4 1 1 A 37 37 ARG N N 15 118.952 118.720 0.232 1 1 161 . 4 1 1 A 38 38 TYR H H 16 7.632 7.866 -0.234 1 1 162 . 4 1 1 A 38 38 TYR HA H 16 4.433 4.336 0.097 1 1 166 . 4 1 1 A 38 38 TYR C C 16 178.110 178.413 -0.303 1 1 167 . 4 1 1 A 38 38 TYR CA C 16 58.473 60.876 -2.403 1 1 168 . 4 1 1 A 38 38 TYR CB C 16 36.286 37.858 -1.572 1 1 169 . 4 1 1 A 38 38 TYR N N 16 118.516 119.433 -0.917 1 1 170 . 4 1 1 A 39 39 VAL H H 17 8.680 7.597 1.083 1 1 171 . 4 1 1 A 39 39 VAL HA H 17 3.491 3.725 -0.234 1 1 179 . 4 1 1 A 39 39 VAL C C 17 177.450 178.149 -0.699 1 1 180 . 4 1 1 A 39 39 VAL CA C 17 68.093 66.221 1.872 1 1 181 . 4 1 1 A 39 39 VAL CB C 17 31.943 31.769 0.174 1 1 184 . 4 1 1 A 39 39 VAL N N 17 119.126 120.602 -1.476 1 1 185 . 4 1 1 A 40 40 ASN H H 18 7.813 7.937 -0.124 1 1 186 . 4 1 1 A 40 40 ASN HA H 18 4.280 4.492 -0.212 1 1 189 . 4 1 1 A 40 40 ASN C C 18 177.190 177.968 -0.778 1 1 190 . 4 1 1 A 40 40 ASN CA C 18 57.525 56.455 1.070 1 1 191 . 4 1 1 A 40 40 ASN CB C 18 39.474 37.818 1.656 1 1 192 . 4 1 1 A 40 40 ASN N N 18 118.013 117.919 0.094 1 1 193 . 4 1 1 A 41 41 ARG H H 19 8.425 8.313 0.112 1 1 194 . 4 1 1 A 41 41 ARG HA H 19 4.010 4.104 -0.094 1 1 201 . 4 1 1 A 41 41 ARG C C 19 180.050 178.998 1.052 1 1 202 . 4 1 1 A 41 41 ARG CA C 19 59.734 58.649 1.085 1 1 203 . 4 1 1 A 41 41 ARG CB C 19 30.877 29.830 1.047 1 1 206 . 4 1 1 A 41 41 ARG N N 19 116.687 120.820 -4.133 1 1 207 . 4 1 1 A 42 42 LEU H H 20 8.731 7.964 0.767 1 1 208 . 4 1 1 A 42 42 LEU HA H 20 3.904 3.912 -0.008 1 1 218 . 4 1 1 A 42 42 LEU C C 20 178.690 178.626 0.064 1 1 219 . 4 1 1 A 42 42 LEU CA C 20 58.238 57.795 0.443 1 1 220 . 4 1 1 A 42 42 LEU CB C 20 41.659 41.749 -0.090 1 1 224 . 4 1 1 A 42 42 LEU N N 20 120.849 119.756 1.093 1 1 225 . 4 1 1 A 43 43 CYS H H 21 8.241 8.635 -0.394 1 1 226 . 4 1 1 A 43 43 CYS HA H 21 4.268 4.131 0.137 1 1 229 . 4 1 1 A 43 43 CYS C C 21 177.530 176.581 0.949 1 1 230 . 4 1 1 A 43 43 CYS CA C 21 65.374 62.361 3.013 1 1 231 . 4 1 1 A 43 43 CYS CB C 21 27.962 27.409 0.553 1 1 232 . 4 1 1 A 43 43 CYS N N 21 115.952 117.648 -1.696 1 1 233 . 4 1 1 A 44 44 LYS H H 22 8.364 7.805 0.559 1 1 234 . 4 1 1 A 44 44 LYS HA H 22 4.091 4.195 -0.104 1 1 243 . 4 1 1 A 44 44 LYS C C 22 179.020 178.689 0.331 1 1 244 . 4 1 1 A 44 44 LYS CA C 22 59.004 57.717 1.287 1 1 245 . 4 1 1 A 44 44 LYS CB C 22 31.921 32.501 -0.580 1 1 249 . 4 1 1 A 44 44 LYS N N 22 119.823 119.618 0.205 1 1 250 . 4 1 1 A 45 45 HIS H H 23 8.036 8.027 0.009 1 1 251 . 4 1 1 A 45 45 HIS HA H 23 4.408 4.018 0.390 1 1 255 . 4 1 1 A 45 45 HIS C C 23 177.870 176.776 1.094 1 1 256 . 4 1 1 A 45 45 HIS CA C 23 60.404 59.172 1.232 1 1 257 . 4 1 1 A 45 45 HIS CB C 23 30.954 30.295 0.659 1 1 258 . 4 1 1 A 45 45 HIS N N 23 118.729 120.872 -2.143 1 1 259 . 4 1 1 A 46 46 TRP H H 24 8.426 8.517 -0.091 1 1 260 . 4 1 1 A 46 46 TRP HA H 24 4.903 4.687 0.216 1 1 265 . 4 1 1 A 46 46 TRP C C 24 177.900 177.645 0.255 1 1 266 . 4 1 1 A 46 46 TRP CA C 24 58.973 59.309 -0.336 1 1 267 . 4 1 1 A 46 46 TRP CB C 24 29.328 29.336 -0.008 1 1 268 . 4 1 1 A 46 46 TRP N N 24 117.297 116.365 0.932 1 1 270 . 4 1 1 A 47 47 GLY H H 25 8.254 8.110 0.144 1 1 271 . 4 1 1 A 47 47 GLY HA2 H 25 4.362 3.976 0.386 1 1 272 . 4 1 1 A 47 47 GLY HA3 H 25 3.936 4.065 -0.129 1 1 273 . 4 1 1 A 47 47 GLY CA C 25 46.812 47.347 -0.535 1 1 274 . 4 1 1 A 47 47 GLY N N 25 108.683 108.473 0.210 1 1 275 . 4 1 1 A 48 48 HIS C C 26 176.030 175.108 0.922 1 1 276 . 4 1 1 A 48 48 HIS CA C 26 58.358 57.353 1.005 1 1 277 . 4 1 1 A 48 48 HIS CB C 26 30.438 32.205 -1.767 1 1 278 . 4 1 1 A 49 49 LYS H H 27 7.544 7.947 -0.403 1 1 279 . 4 1 1 A 49 49 LYS HA H 27 4.236 4.360 -0.124 1 1 288 . 4 1 1 A 49 49 LYS C C 27 174.880 174.313 0.567 1 1 289 . 4 1 1 A 49 49 LYS CA C 27 56.572 55.251 1.321 1 1 290 . 4 1 1 A 49 49 LYS CB C 27 35.793 34.037 1.756 1 1 294 . 4 1 1 A 49 49 LYS N N 27 117.278 120.270 -2.992 1 1 295 . 4 1 1 A 50 50 PHE H H 28 8.178 7.649 0.529 1 1 296 . 4 1 1 A 50 50 PHE HA H 28 5.016 5.062 -0.046 1 1 301 . 4 1 1 A 50 50 PHE C C 28 174.190 174.705 -0.515 1 1 302 . 4 1 1 A 50 50 PHE CA C 28 55.756 56.351 -0.595 1 1 303 . 4 1 1 A 50 50 PHE CB C 28 41.140 43.251 -2.111 1 1 304 . 4 1 1 A 50 50 PHE N N 28 118.846 119.033 -0.187 1 1 305 . 4 1 1 A 51 51 GLU H H 29 7.812 8.489 -0.677 1 1 306 . 4 1 1 A 51 51 GLU HA H 29 4.449 4.624 -0.175 1 1 311 . 4 1 1 A 51 51 GLU C C 29 175.570 175.927 -0.357 1 1 312 . 4 1 1 A 51 51 GLU CA C 29 56.852 56.078 0.774 1 1 313 . 4 1 1 A 51 51 GLU CB C 29 30.207 30.009 0.198 1 1 315 . 4 1 1 A 51 51 GLU N N 29 120.355 120.675 -0.320 1 1 316 . 4 1 1 A 52 52 VAL H H 30 8.395 8.960 -0.565 1 1 317 . 4 1 1 A 52 52 VAL HA H 30 5.383 5.504 -0.121 1 1 325 . 4 1 1 A 52 52 VAL C C 30 175.850 174.441 1.409 1 1 326 . 4 1 1 A 52 52 VAL CA C 30 59.969 60.331 -0.362 1 1 327 . 4 1 1 A 52 52 VAL CB C 30 36.173 34.231 1.942 1 1 330 . 4 1 1 A 52 52 VAL N N 30 124.120 121.265 2.855 1 1 331 . 4 1 1 A 53 53 GLU H H 31 9.289 9.369 -0.080 1 1 332 . 4 1 1 A 53 53 GLU HA H 31 4.717 4.966 -0.249 1 1 337 . 4 1 1 A 53 53 GLU C C 31 174.370 175.423 -1.053 1 1 338 . 4 1 1 A 53 53 GLU CA C 31 55.415 56.016 -0.601 1 1 339 . 4 1 1 A 53 53 GLU CB C 31 33.211 31.829 1.382 1 1 341 . 4 1 1 A 53 53 GLU N N 31 126.346 127.920 -1.574 1 1 342 . 4 1 1 A 54 54 LEU H H 32 8.763 8.698 0.065 1 1 343 . 4 1 1 A 54 54 LEU HA H 32 5.375 5.046 0.329 1 1 353 . 4 1 1 A 54 54 LEU C C 32 175.100 175.234 -0.134 1 1 354 . 4 1 1 A 54 54 LEU CA C 32 55.010 54.281 0.729 1 1 355 . 4 1 1 A 54 54 LEU CB C 32 45.485 45.266 0.219 1 1 359 . 4 1 1 A 54 54 LEU N N 32 126.898 123.924 2.974 1 1 360 . 4 1 1 A 55 55 THR H H 33 9.159 8.254 0.905 1 1 361 . 4 1 1 A 55 55 THR HA H 33 4.886 5.053 -0.167 1 1 366 . 4 1 1 A 55 55 THR CA C 33 59.489 58.680 0.809 1 1 367 . 4 1 1 A 55 55 THR CB C 33 69.241 70.149 -0.908 1 1 369 . 4 1 1 A 55 55 THR N N 33 121.246 116.916 4.330 1 1 370 . 4 1 1 A 56 56 PRO HA H 34 4.269 4.582 -0.313 1 1 377 . 4 1 1 A 56 56 PRO C C 34 177.750 175.787 1.963 1 1 378 . 4 1 1 A 56 56 PRO CA C 34 65.968 62.883 3.085 1 1 379 . 4 1 1 A 56 56 PRO CB C 34 31.786 29.822 1.964 1 1 382 . 4 1 1 A 57 57 GLU H H 35 8.148 8.408 -0.260 1 1 383 . 4 1 1 A 57 57 GLU HA H 35 4.351 4.525 -0.174 1 1 388 . 4 1 1 A 57 57 GLU C C 35 175.720 175.886 -0.166 1 1 389 . 4 1 1 A 57 57 GLU CA C 35 57.085 56.777 0.308 1 1 390 . 4 1 1 A 57 57 GLU CB C 35 30.299 32.416 -2.117 1 1 392 . 4 1 1 A 57 57 GLU N N 35 112.303 120.438 -8.135 1 1 393 . 4 1 1 A 58 58 ARG H H 36 7.777 7.838 -0.061 1 1 394 . 4 1 1 A 58 58 ARG HA H 36 5.418 5.139 0.279 1 1 401 . 4 1 1 A 58 58 ARG C C 36 173.610 173.960 -0.350 1 1 402 . 4 1 1 A 58 58 ARG CA C 36 55.576 55.005 0.571 1 1 403 . 4 1 1 A 58 58 ARG CB C 36 33.324 32.609 0.715 1 1 406 . 4 1 1 A 58 58 ARG N N 36 122.018 115.017 7.001 1 1 407 . 4 1 1 A 59 59 GLY H H 37 9.650 8.713 0.937 1 1 408 . 4 1 1 A 59 59 GLY HA2 H 37 5.484 4.278 1.206 1 1 409 . 4 1 1 A 59 59 GLY HA3 H 37 3.554 4.283 -0.729 1 1 410 . 4 1 1 A 59 59 GLY C C 37 171.630 171.971 -0.341 1 1 411 . 4 1 1 A 59 59 GLY CA C 37 44.563 44.598 -0.035 1 1 412 . 4 1 1 A 59 59 GLY N N 37 113.745 106.897 6.848 1 1 413 . 4 1 1 A 60 60 PHE H H 38 9.138 8.709 0.429 1 1 414 . 4 1 1 A 60 60 PHE HA H 38 5.472 5.084 0.388 1 1 419 . 4 1 1 A 60 60 PHE C C 38 173.180 174.137 -0.957 1 1 420 . 4 1 1 A 60 60 PHE CA C 38 57.234 56.334 0.900 1 1 421 . 4 1 1 A 60 60 PHE CB C 38 43.107 41.153 1.954 1 1 422 . 4 1 1 A 60 60 PHE N N 38 124.144 125.752 -1.608 1 1 423 . 4 1 1 A 61 61 ILE H H 39 8.618 8.708 -0.090 1 1 424 . 4 1 1 A 61 61 ILE HA H 39 4.226 4.973 -0.747 1 1 434 . 4 1 1 A 61 61 ILE C C 39 172.950 173.663 -0.713 1 1 435 . 4 1 1 A 61 61 ILE CA C 39 60.357 60.519 -0.162 1 1 436 . 4 1 1 A 61 61 ILE CB C 39 41.488 40.115 1.373 1 1 440 . 4 1 1 A 61 61 ILE N N 39 126.753 127.749 -0.996 1 1 441 . 4 1 1 A 62 62 ASP H H 40 8.192 8.281 -0.089 1 1 442 . 4 1 1 A 62 62 ASP HA H 40 4.464 4.845 -0.381 1 1 445 . 4 1 1 A 62 62 ASP C C 40 176.240 176.238 0.002 1 1 446 . 4 1 1 A 62 62 ASP CA C 40 52.208 52.506 -0.298 1 1 447 . 4 1 1 A 62 62 ASP CB C 40 41.489 42.501 -1.012 1 1 448 . 4 1 1 A 62 62 ASP N N 40 124.314 128.680 -4.366 1 1 449 . 4 1 1 A 63 63 PHE H H 41 8.165 9.014 -0.849 1 1 450 . 4 1 1 A 63 63 PHE HA H 41 4.007 4.250 -0.243 1 1 454 . 4 1 1 A 63 63 PHE C C 41 175.640 175.699 -0.059 1 1 455 . 4 1 1 A 63 63 PHE CA C 41 58.407 60.024 -1.617 1 1 456 . 4 1 1 A 63 63 PHE CB C 41 38.486 40.090 -1.604 1 1 457 . 4 1 1 A 63 63 PHE N N 41 123.395 126.045 -2.650 1 1 458 . 4 1 1 A 64 64 GLY H H 42 9.003 7.647 1.356 1 1 459 . 4 1 1 A 64 64 GLY HA2 H 42 4.675 4.133 0.542 1 1 460 . 4 1 1 A 64 64 GLY HA3 H 42 3.484 4.185 -0.701 1 1 461 . 4 1 1 A 64 64 GLY CA C 42 45.938 46.018 -0.080 1 1 462 . 4 1 1 A 64 64 GLY N N 42 112.196 106.879 5.317 1 1 463 . 4 1 1 A 65 65 ASP HA H 43 4.675 4.769 -0.094 1 1 466 . 4 1 1 A 65 65 ASP C C 43 176.170 174.979 1.191 1 1 467 . 4 1 1 A 65 65 ASP CA C 43 55.415 53.236 2.179 1 1 468 . 4 1 1 A 65 65 ASP CB C 43 41.379 38.987 2.392 1 1 469 . 4 1 1 A 66 66 SER H H 44 7.743 7.651 0.092 1 1 470 . 4 1 1 A 66 66 SER HA H 44 5.292 5.082 0.210 1 1 473 . 4 1 1 A 66 66 SER C C 44 172.190 172.113 0.077 1 1 474 . 4 1 1 A 66 66 SER CA C 44 57.890 56.675 1.215 1 1 475 . 4 1 1 A 66 66 SER CB C 44 66.054 64.653 1.401 1 1 476 . 4 1 1 A 66 66 SER N N 44 112.796 117.876 -5.080 1 1 477 . 4 1 1 A 67 67 ASN H H 45 9.075 8.815 0.260 1 1 478 . 4 1 1 A 67 67 ASN HA H 45 5.126 5.131 -0.005 1 1 481 . 4 1 1 A 67 67 ASN C C 45 172.300 172.921 -0.621 1 1 482 . 4 1 1 A 67 67 ASN CA C 45 52.997 52.475 0.522 1 1 483 . 4 1 1 A 67 67 ASN CB C 45 42.047 42.309 -0.262 1 1 484 . 4 1 1 A 67 67 ASN N N 45 114.955 119.925 -4.970 1 1 485 . 4 1 1 A 68 68 CYS H H 46 8.757 8.198 0.559 1 1 486 . 4 1 1 A 68 68 CYS HA H 46 5.652 5.172 0.480 1 1 489 . 4 1 1 A 68 68 CYS C C 46 170.650 172.550 -1.900 1 1 490 . 4 1 1 A 68 68 CYS CA C 46 56.668 58.380 -1.712 1 1 491 . 4 1 1 A 68 68 CYS CB C 46 31.195 29.798 1.397 1 1 492 . 4 1 1 A 68 68 CYS N N 46 119.184 118.197 0.987 1 1 493 . 4 1 1 A 69 69 GLU H H 47 9.587 9.367 0.220 1 1 494 . 4 1 1 A 69 69 GLU HA H 47 5.283 5.615 -0.332 1 1 499 . 4 1 1 A 69 69 GLU C C 47 174.190 174.977 -0.787 1 1 500 . 4 1 1 A 69 69 GLU CA C 47 54.401 55.436 -1.035 1 1 501 . 4 1 1 A 69 69 GLU CB C 47 33.607 32.428 1.179 1 1 503 . 4 1 1 A 69 69 GLU N N 47 131.612 127.324 4.288 1 1 504 . 4 1 1 A 70 70 LEU H H 48 9.523 8.508 1.015 1 1 505 . 4 1 1 A 70 70 LEU HA H 48 5.314 4.998 0.316 1 1 515 . 4 1 1 A 70 70 LEU C C 48 174.730 174.038 0.692 1 1 516 . 4 1 1 A 70 70 LEU CA C 48 53.570 54.219 -0.649 1 1 517 . 4 1 1 A 70 70 LEU CB C 48 46.109 45.600 0.509 1 1 521 . 4 1 1 A 70 70 LEU N N 48 125.069 125.033 0.036 1 1 522 . 4 1 1 A 71 71 LEU H H 49 9.493 9.480 0.013 1 1 523 . 4 1 1 A 71 71 LEU HA H 49 5.001 5.158 -0.157 1 1 533 . 4 1 1 A 71 71 LEU C C 49 175.310 175.268 0.042 1 1 534 . 4 1 1 A 71 71 LEU CA C 49 53.809 53.902 -0.093 1 1 535 . 4 1 1 A 71 71 LEU CB C 49 42.880 44.234 -1.354 1 1 539 . 4 1 1 A 71 71 LEU N N 49 123.714 128.576 -4.862 1 1 540 . 4 1 1 A 72 72 ALA H H 50 8.255 8.346 -0.091 1 1 541 . 4 1 1 A 72 72 ALA HA H 50 4.307 5.141 -0.834 1 1 545 . 4 1 1 A 72 72 ALA C C 50 174.800 175.277 -0.477 1 1 546 . 4 1 1 A 72 72 ALA CA C 50 51.618 51.339 0.279 1 1 547 . 4 1 1 A 72 72 ALA CB C 50 18.634 21.434 -2.800 1 1 548 . 4 1 1 A 72 72 ALA N N 50 125.398 128.270 -2.872 1 1 549 . 4 1 1 A 73 73 HIS H H 51 8.053 9.436 -1.383 1 1 550 . 4 1 1 A 73 73 HIS HA H 51 4.953 4.917 0.036 1 1 554 . 4 1 1 A 73 73 HIS CA C 51 54.682 53.858 0.824 1 1 555 . 4 1 1 A 73 73 HIS CB C 51 31.150 32.076 -0.926 1 1 556 . 4 1 1 A 73 73 HIS N N 51 123.172 123.807 -0.635 1 1 557 . 4 1 1 A 74 74 PRO HA H 52 4.385 4.124 0.261 1 1 564 . 4 1 1 A 74 74 PRO C C 52 176.370 176.647 -0.277 1 1 565 . 4 1 1 A 74 74 PRO CA C 52 65.625 64.973 0.652 1 1 566 . 4 1 1 A 74 74 PRO CB C 52 32.014 31.919 0.095 1 1 569 . 4 1 1 A 75 75 ASP H H 53 8.303 8.260 0.043 1 1 570 . 4 1 1 A 75 75 ASP HA H 53 4.955 5.261 -0.306 1 1 573 . 4 1 1 A 75 75 ASP C C 53 177.380 175.299 2.081 1 1 574 . 4 1 1 A 75 75 ASP CA C 53 52.034 54.209 -2.175 1 1 575 . 4 1 1 A 75 75 ASP CB C 53 41.826 42.568 -0.742 1 1 576 . 4 1 1 A 75 75 ASP N N 53 109.961 116.181 -6.220 1 1 577 . 4 1 1 A 76 76 HIS H H 54 7.379 7.277 0.102 1 1 578 . 4 1 1 A 76 76 HIS HA H 54 5.421 5.377 0.044 1 1 582 . 4 1 1 A 76 76 HIS C C 54 172.470 172.767 -0.297 1 1 583 . 4 1 1 A 76 76 HIS CA C 54 56.943 54.254 2.689 1 1 584 . 4 1 1 A 76 76 HIS CB C 54 29.909 33.596 -3.687 1 1 585 . 4 1 1 A 76 76 HIS N N 54 114.752 116.374 -1.622 1 1 586 . 4 1 1 A 77 77 VAL H H 55 8.933 8.425 0.508 1 1 587 . 4 1 1 A 77 77 VAL HA H 55 4.837 5.061 -0.224 1 1 595 . 4 1 1 A 77 77 VAL C C 55 173.420 173.926 -0.506 1 1 596 . 4 1 1 A 77 77 VAL CA C 55 59.429 59.822 -0.393 1 1 597 . 4 1 1 A 77 77 VAL CB C 55 35.121 35.579 -0.458 1 1 600 . 4 1 1 A 77 77 VAL N N 55 117.287 119.587 -2.300 1 1 601 . 4 1 1 A 78 78 LEU H H 56 9.004 9.634 -0.630 1 1 602 . 4 1 1 A 78 78 LEU HA H 56 5.466 5.374 0.092 1 1 612 . 4 1 1 A 78 78 LEU C C 56 175.140 175.776 -0.636 1 1 613 . 4 1 1 A 78 78 LEU CA C 56 53.084 53.788 -0.704 1 1 614 . 4 1 1 A 78 78 LEU CB C 56 44.499 45.592 -1.093 1 1 618 . 4 1 1 A 78 78 LEU N N 56 130.334 128.146 2.188 1 1 619 . 4 1 1 A 79 79 MET H H 57 9.381 8.857 0.524 1 1 620 . 4 1 1 A 79 79 MET HA H 57 5.678 5.267 0.411 1 1 625 . 4 1 1 A 79 79 MET C C 57 175.160 174.630 0.530 1 1 626 . 4 1 1 A 79 79 MET CA C 57 54.216 54.416 -0.200 1 1 627 . 4 1 1 A 79 79 MET CB C 57 37.309 35.164 2.145 1 1 629 . 4 1 1 A 79 79 MET N N 57 124.304 122.401 1.903 1 1 630 . 4 1 1 A 80 80 ILE H H 58 9.552 8.741 0.811 1 1 631 . 4 1 1 A 80 80 ILE HA H 58 4.957 5.190 -0.233 1 1 641 . 4 1 1 A 80 80 ILE C C 58 175.160 175.498 -0.338 1 1 642 . 4 1 1 A 80 80 ILE CA C 58 61.338 59.942 1.396 1 1 643 . 4 1 1 A 80 80 ILE CB C 58 41.092 41.540 -0.448 1 1 647 . 4 1 1 A 80 80 ILE N N 58 122.359 124.827 -2.468 1 1 648 . 4 1 1 A 81 81 LEU H H 59 9.549 9.141 0.408 1 1 649 . 4 1 1 A 81 81 LEU HA H 59 5.274 5.284 -0.010 1 1 659 . 4 1 1 A 81 81 LEU C C 59 174.280 175.439 -1.159 1 1 660 . 4 1 1 A 81 81 LEU CA C 59 53.621 52.597 1.024 1 1 661 . 4 1 1 A 81 81 LEU CB C 59 46.837 45.760 1.077 1 1 665 . 4 1 1 A 81 81 LEU N N 59 131.901 124.591 7.310 1 1 666 . 4 1 1 A 82 82 ASN H H 60 8.516 8.465 0.051 1 1 667 . 4 1 1 A 82 82 ASN HA H 60 5.851 5.466 0.385 1 1 670 . 4 1 1 A 82 82 ASN C C 60 174.840 174.040 0.800 1 1 671 . 4 1 1 A 82 82 ASN CA C 60 52.549 52.157 0.392 1 1 672 . 4 1 1 A 82 82 ASN CB C 60 43.188 39.667 3.521 1 1 673 . 4 1 1 A 82 82 ASN N N 60 120.142 118.962 1.180 1 1 674 . 4 1 1 A 83 83 SER H H 61 9.176 8.369 0.807 1 1 675 . 4 1 1 A 83 83 SER HA H 61 5.295 4.844 0.451 1 1 678 . 4 1 1 A 83 83 SER CA C 61 57.388 55.657 1.731 1 1 679 . 4 1 1 A 83 83 SER CB C 61 68.052 66.227 1.825 1 1 680 . 4 1 1 A 83 83 SER N N 61 116.871 119.417 -2.546 1 1 681 . 4 1 1 A 84 84 PRO HA H 62 4.907 4.063 0.844 1 1 688 . 4 1 1 A 84 84 PRO C C 62 175.210 175.578 -0.368 1 1 689 . 4 1 1 A 84 84 PRO CA C 62 64.539 63.644 0.895 1 1 690 . 4 1 1 A 84 84 PRO CB C 62 32.726 31.797 0.929 1 1 693 . 4 1 1 A 85 85 ASP H H 63 7.228 7.687 -0.459 1 1 694 . 4 1 1 A 85 85 ASP HA H 63 4.630 5.275 -0.645 1 1 697 . 4 1 1 A 85 85 ASP C C 63 174.540 175.926 -1.386 1 1 698 . 4 1 1 A 85 85 ASP CA C 63 53.119 53.520 -0.401 1 1 699 . 4 1 1 A 85 85 ASP CB C 63 42.880 43.238 -0.358 1 1 700 . 4 1 1 A 85 85 ASP N N 63 112.313 120.010 -7.697 1 1 701 . 4 1 1 A 86 86 GLU H H 64 8.761 9.470 -0.709 1 1 702 . 4 1 1 A 86 86 GLU HA H 64 3.321 4.140 -0.819 1 1 707 . 4 1 1 A 86 86 GLU C C 64 178.440 178.612 -0.172 1 1 708 . 4 1 1 A 86 86 GLU CA C 64 59.937 59.627 0.310 1 1 709 . 4 1 1 A 86 86 GLU CB C 64 29.707 29.500 0.207 1 1 711 . 4 1 1 A 86 86 GLU N N 64 120.055 125.119 -5.064 1 1 712 . 4 1 1 A 87 87 ASP H H 65 8.332 8.125 0.207 1 1 713 . 4 1 1 A 87 87 ASP HA H 65 4.414 4.306 0.108 1 1 716 . 4 1 1 A 87 87 ASP C C 65 179.400 178.508 0.892 1 1 717 . 4 1 1 A 87 87 ASP CA C 65 57.203 57.653 -0.450 1 1 718 . 4 1 1 A 87 87 ASP CB C 65 40.323 41.186 -0.863 1 1 719 . 4 1 1 A 87 87 ASP N N 65 121.933 120.413 1.520 1 1 720 . 4 1 1 A 88 88 SER H H 66 8.949 8.152 0.797 1 1 721 . 4 1 1 A 88 88 SER HA H 66 4.169 4.146 0.023 1 1 724 . 4 1 1 A 88 88 SER C C 66 176.110 176.189 -0.079 1 1 725 . 4 1 1 A 88 88 SER CA C 66 62.032 62.370 -0.338 1 1 726 . 4 1 1 A 88 88 SER CB C 66 62.178 63.055 -0.877 1 1 727 . 4 1 1 A 88 88 SER N N 66 119.726 116.576 3.150 1 1 728 . 4 1 1 A 89 89 LEU H H 67 7.737 8.776 -1.039 1 1 729 . 4 1 1 A 89 89 LEU HA H 67 4.017 4.518 -0.501 1 1 739 . 4 1 1 A 89 89 LEU C C 67 177.790 178.147 -0.357 1 1 740 . 4 1 1 A 89 89 LEU CA C 67 57.958 58.386 -0.428 1 1 741 . 4 1 1 A 89 89 LEU CB C 67 42.394 42.287 0.107 1 1 745 . 4 1 1 A 89 89 LEU N N 67 122.942 122.750 0.192 1 1 746 . 4 1 1 A 90 90 ALA H H 68 7.483 9.366 -1.883 1 1 747 . 4 1 1 A 90 90 ALA HA H 68 3.780 3.989 -0.209 1 1 751 . 4 1 1 A 90 90 ALA C C 68 180.410 179.370 1.040 1 1 752 . 4 1 1 A 90 90 ALA CA C 68 54.782 54.697 0.085 1 1 753 . 4 1 1 A 90 90 ALA CB C 68 17.857 18.432 -0.575 1 1 754 . 4 1 1 A 90 90 ALA N N 68 119.446 120.485 -1.039 1 1 755 . 4 1 1 A 91 91 HIS H H 69 7.707 8.162 -0.455 1 1 756 . 4 1 1 A 91 91 HIS HA H 69 4.377 3.952 0.425 1 1 760 . 4 1 1 A 91 91 HIS C C 69 177.865 177.074 0.791 1 1 761 . 4 1 1 A 91 91 HIS CA C 69 59.518 59.519 -0.001 1 1 762 . 4 1 1 A 91 91 HIS CB C 69 30.954 29.551 1.403 1 1 763 . 4 1 1 A 91 91 HIS N N 69 116.881 118.136 -1.255 1 1 764 . 4 1 1 A 92 92 MET H H 70 8.467 8.277 0.190 1 1 765 . 4 1 1 A 92 92 MET HA H 70 4.087 3.957 0.130 1 1 770 . 4 1 1 A 92 92 MET C C 70 178.390 178.014 0.376 1 1 771 . 4 1 1 A 92 92 MET CA C 70 55.584 58.602 -3.018 1 1 772 . 4 1 1 A 92 92 MET CB C 70 29.773 33.339 -3.566 1 1 774 . 4 1 1 A 92 92 MET N N 70 116.968 116.655 0.313 1 1 775 . 4 1 1 A 93 93 GLN H H 71 8.309 8.264 0.045 1 1 776 . 4 1 1 A 93 93 GLN HA H 71 2.874 3.997 -1.123 1 1 781 . 4 1 1 A 93 93 GLN C C 71 178.420 178.134 0.286 1 1 782 . 4 1 1 A 93 93 GLN CA C 71 58.852 58.437 0.415 1 1 783 . 4 1 1 A 93 93 GLN CB C 71 27.658 27.923 -0.265 1 1 785 . 4 1 1 A 93 93 GLN N N 71 120.665 117.181 3.484 1 1 786 . 4 1 1 A 94 94 ASN H H 72 6.899 8.251 -1.352 1 1 787 . 4 1 1 A 94 94 ASN HA H 72 4.596 4.410 0.186 1 1 790 . 4 1 1 A 94 94 ASN C C 72 177.380 177.416 -0.036 1 1 791 . 4 1 1 A 94 94 ASN CA C 72 56.037 55.751 0.286 1 1 792 . 4 1 1 A 94 94 ASN CB C 72 38.219 38.614 -0.395 1 1 793 . 4 1 1 A 94 94 ASN N N 72 116.271 118.943 -2.672 1 1 794 . 4 1 1 A 95 95 VAL H H 73 8.050 7.657 0.393 1 1 795 . 4 1 1 A 95 95 VAL HA H 73 3.983 3.509 0.474 1 1 803 . 4 1 1 A 95 95 VAL C C 73 180.050 178.159 1.891 1 1 804 . 4 1 1 A 95 95 VAL CA C 73 66.515 66.014 0.501 1 1 805 . 4 1 1 A 95 95 VAL CB C 73 32.587 31.379 1.208 1 1 808 . 4 1 1 A 95 95 VAL N N 73 121.798 119.138 2.660 1 1 809 . 4 1 1 A 96 96 VAL H H 74 9.082 7.641 1.441 1 1 810 . 4 1 1 A 96 96 VAL HA H 74 3.986 2.907 1.079 1 1 818 . 4 1 1 A 96 96 VAL C C 74 177.490 177.941 -0.451 1 1 819 . 4 1 1 A 96 96 VAL CA C 74 67.947 66.080 1.867 1 1 820 . 4 1 1 A 96 96 VAL CB C 74 31.966 31.284 0.682 1 1 823 . 4 1 1 A 96 96 VAL N N 74 120.549 120.629 -0.080 1 1 824 . 4 1 1 A 97 97 ALA H H 75 8.285 7.671 0.614 1 1 825 . 4 1 1 A 97 97 ALA HA H 75 4.108 3.953 0.155 1 1 829 . 4 1 1 A 97 97 ALA C C 75 179.320 179.300 0.020 1 1 830 . 4 1 1 A 97 97 ALA CA C 75 56.117 54.889 1.228 1 1 831 . 4 1 1 A 97 97 ALA CB C 75 19.867 18.448 1.419 1 1 832 . 4 1 1 A 97 97 ALA N N 75 120.375 121.646 -1.271 1 1 833 . 4 1 1 A 98 98 ASP H H 76 8.522 7.607 0.915 1 1 834 . 4 1 1 A 98 98 ASP HA H 76 4.356 4.372 -0.016 1 1 837 . 4 1 1 A 98 98 ASP C C 76 179.100 178.538 0.562 1 1 838 . 4 1 1 A 98 98 ASP CA C 76 57.252 57.312 -0.060 1 1 839 . 4 1 1 A 98 98 ASP CB C 76 41.335 41.064 0.271 1 1 840 . 4 1 1 A 98 98 ASP N N 76 116.871 118.518 -1.647 1 1 841 . 4 1 1 A 99 99 HIS H H 77 8.162 7.733 0.429 1 1 842 . 4 1 1 A 99 99 HIS HA H 77 3.847 4.359 -0.512 1 1 846 . 4 1 1 A 99 99 HIS C C 77 177.440 178.269 -0.829 1 1 847 . 4 1 1 A 99 99 HIS CA C 77 61.636 59.497 2.139 1 1 848 . 4 1 1 A 99 99 HIS CB C 77 29.328 29.869 -0.541 1 1 849 . 4 1 1 A 99 99 HIS N N 77 116.758 118.662 -1.904 1 1 850 . 4 1 1 A 100 100 LEU H H 78 8.718 8.247 0.471 1 1 851 . 4 1 1 A 100 100 LEU HA H 78 3.862 3.951 -0.089 1 1 861 . 4 1 1 A 100 100 LEU C C 78 177.720 179.589 -1.869 1 1 862 . 4 1 1 A 100 100 LEU CA C 78 58.746 57.339 1.407 1 1 863 . 4 1 1 A 100 100 LEU CB C 78 40.324 41.132 -0.808 1 1 867 . 4 1 1 A 100 100 LEU N N 78 120.332 119.317 1.015 1 1 868 . 4 1 1 A 101 101 GLN H H 79 8.167 8.004 0.163 1 1 869 . 4 1 1 A 101 101 GLN HA H 79 3.973 4.048 -0.075 1 1 874 . 4 1 1 A 101 101 GLN C C 79 178.990 178.592 0.398 1 1 875 . 4 1 1 A 101 101 GLN CA C 79 58.359 58.946 -0.587 1 1 876 . 4 1 1 A 101 101 GLN CB C 79 29.575 28.444 1.131 1 1 878 . 4 1 1 A 101 101 GLN N N 79 115.715 120.058 -4.343 1 1 879 . 4 1 1 A 102 102 ARG H H 80 7.835 7.767 0.068 1 1 880 . 4 1 1 A 102 102 ARG HA H 80 3.990 4.063 -0.073 1 1 887 . 4 1 1 A 102 102 ARG C C 80 178.540 177.375 1.165 1 1 888 . 4 1 1 A 102 102 ARG CA C 80 58.789 58.984 -0.195 1 1 889 . 4 1 1 A 102 102 ARG CB C 80 30.218 30.068 0.150 1 1 892 . 4 1 1 A 102 102 ARG N N 80 118.207 118.451 -0.244 1 1 893 . 4 1 1 A 103 103 MET H H 81 7.645 7.667 -0.022 1 1 894 . 4 1 1 A 103 103 MET HA H 81 4.353 4.144 0.209 1 1 899 . 4 1 1 A 103 103 MET C C 81 176.300 175.817 0.483 1 1 900 . 4 1 1 A 103 103 MET CA C 81 55.646 56.485 -0.839 1 1 901 . 4 1 1 A 103 103 MET CB C 81 32.620 32.305 0.315 1 1 903 . 4 1 1 A 103 103 MET N N 81 116.250 116.494 -0.244 1 1 904 . 4 1 1 A 104 104 ALA H H 82 7.324 7.873 -0.549 1 1 905 . 4 1 1 A 104 104 ALA HA H 82 4.386 4.653 -0.267 1 1 909 . 4 1 1 A 104 104 ALA CA C 82 51.004 50.374 0.630 1 1 910 . 4 1 1 A 104 104 ALA CB C 82 17.678 21.421 -3.743 1 1 911 . 4 1 1 A 104 104 ALA N N 82 123.602 121.029 2.573 1 1 912 . 4 1 1 A 106 106 SER HA H 84 4.610 4.372 0.238 1 1 915 . 4 1 1 A 106 106 SER C C 84 173.480 174.291 -0.811 1 1 916 . 4 1 1 A 106 106 SER CA C 84 58.041 60.124 -2.083 1 1 917 . 4 1 1 A 106 106 SER CB C 84 64.139 63.873 0.266 1 1 918 . 4 1 1 A 107 107 GLU H H 85 7.443 7.583 -0.140 1 1 919 . 4 1 1 A 107 107 GLU HA H 85 4.640 4.368 0.272 1 1 924 . 4 1 1 A 107 107 GLU CA C 85 55.058 56.789 -1.731 1 1 925 . 4 1 1 A 107 107 GLU CB C 85 32.203 29.860 2.343 1 1 927 . 4 1 1 A 107 107 GLU N N 85 119.316 119.482 -0.166 1 1 928 . 4 1 1 A 108 108 SER HA H 86 4.549 4.549 0.000 1 1 931 . 4 1 1 A 108 108 SER C C 86 174.220 174.181 0.039 1 1 932 . 4 1 1 A 108 108 SER CA C 86 57.291 57.827 -0.536 1 1 933 . 4 1 1 A 108 108 SER CB C 86 62.819 61.312 1.507 1 1 934 . 4 1 1 A 109 109 LEU H H 87 9.011 8.611 0.400 1 1 935 . 4 1 1 A 109 109 LEU HA H 87 4.606 3.982 0.624 1 1 945 . 4 1 1 A 109 109 LEU C C 87 176.720 176.197 0.523 1 1 946 . 4 1 1 A 109 109 LEU CA C 87 54.024 55.545 -1.521 1 1 947 . 4 1 1 A 109 109 LEU CB C 87 43.358 40.799 2.559 1 1 951 . 4 1 1 A 109 109 LEU N N 87 126.582 123.333 3.249 1 1 952 . 4 1 1 A 110 110 GLU H H 88 8.530 8.739 -0.209 1 1 953 . 4 1 1 A 110 110 GLU HA H 88 4.541 4.595 -0.054 1 1 958 . 4 1 1 A 110 110 GLU C C 88 175.340 176.162 -0.822 1 1 959 . 4 1 1 A 110 110 GLU CA C 88 55.555 56.530 -0.975 1 1 960 . 4 1 1 A 110 110 GLU CB C 88 29.970 29.391 0.579 1 1 962 . 4 1 1 A 110 110 GLU N N 88 123.263 124.820 -1.557 1 1 963 . 4 1 1 A 111 111 ILE H H 89 8.842 8.529 0.313 1 1 964 . 4 1 1 A 111 111 ILE HA H 89 3.911 4.990 -1.079 1 1 974 . 4 1 1 A 111 111 ILE C C 89 173.250 174.053 -0.803 1 1 975 . 4 1 1 A 111 111 ILE CA C 89 61.207 59.270 1.937 1 1 976 . 4 1 1 A 111 111 ILE CB C 89 38.989 41.263 -2.274 1 1 980 . 4 1 1 A 111 111 ILE N N 89 128.558 118.206 10.352 1 1 981 . 4 1 1 A 112 112 ALA H H 90 8.651 8.940 -0.289 1 1 982 . 4 1 1 A 112 112 ALA HA H 90 4.733 4.889 -0.156 1 1 986 . 4 1 1 A 112 112 ALA C C 90 177.040 176.760 0.280 1 1 987 . 4 1 1 A 112 112 ALA CA C 90 50.598 50.344 0.254 1 1 988 . 4 1 1 A 112 112 ALA CB C 90 21.517 19.978 1.539 1 1 989 . 4 1 1 A 112 112 ALA N N 90 131.215 128.221 2.994 1 1 990 . 4 1 1 A 113 113 TRP H H 91 9.084 8.711 0.373 1 1 991 . 4 1 1 A 113 113 TRP HA H 91 5.129 5.352 -0.223 1 1 996 . 4 1 1 A 113 113 TRP C C 91 176.725 176.210 0.515 1 1 997 . 4 1 1 A 113 113 TRP CA C 91 56.263 55.386 0.877 1 1 998 . 4 1 1 A 113 113 TRP CB C 91 31.282 31.219 0.063 1 1 999 . 4 1 1 A 113 113 TRP N N 91 125.391 124.538 0.853 1 1 1001 . 4 1 1 A 114 114 GLN H H 92 9.712 9.194 0.518 1 1 1002 . 4 1 1 A 114 114 GLN HA H 92 5.078 4.483 0.595 1 1 1007 . 4 1 1 A 114 114 GLN CA C 92 52.872 53.913 -1.041 1 1 1008 . 4 1 1 A 114 114 GLN CB C 92 30.288 28.237 2.051 1 1 1010 . 4 1 1 A 114 114 GLN N N 92 122.696 121.262 1.434 1 1 1011 . 4 1 1 A 115 115 PRO HA H 93 4.689 4.476 0.213 1 1 1018 . 4 1 1 A 115 115 PRO C C 93 176.690 177.222 -0.532 1 1 1019 . 4 1 1 A 115 115 PRO CA C 93 63.246 65.548 -2.302 1 1 1020 . 4 1 1 A 115 115 PRO CB C 93 32.152 31.800 0.352 1 1 1023 . 4 1 1 A 116 116 ALA H H 94 8.429 8.004 0.425 1 1 1024 . 4 1 1 A 116 116 ALA HA H 94 4.615 4.549 0.066 1 1 1028 . 4 1 1 A 116 116 ALA C C 94 177.230 175.934 1.296 1 1 1029 . 4 1 1 A 116 116 ALA CA C 94 51.966 54.639 -2.673 1 1 1030 . 4 1 1 A 116 116 ALA CB C 94 20.497 17.099 3.398 1 1 1031 . 4 1 1 A 116 116 ALA N N 94 125.566 119.136 6.430 1 1 1032 . 4 1 1 A 117 117 GLU H H 95 8.754 7.763 0.991 1 1 1033 . 4 1 1 A 117 117 GLU HA H 95 4.479 4.861 -0.382 1 1 1038 . 4 1 1 A 117 117 GLU CA C 95 56.146 54.985 1.161 1 1 1039 . 4 1 1 A 117 117 GLU CB C 95 30.856 32.953 -2.097 1 1 11 . 5 1 1 A 24 24 PHE H H 2 8.940 8.135 0.805 1 1 12 . 5 1 1 A 24 24 PHE HA H 2 4.540 4.979 -0.439 1 1 17 . 5 1 1 A 24 24 PHE C C 2 173.640 175.463 -1.823 1 1 18 . 5 1 1 A 24 24 PHE CA C 2 58.262 57.750 0.512 1 1 19 . 5 1 1 A 24 24 PHE CB C 2 40.639 40.837 -0.198 1 1 20 . 5 1 1 A 24 24 PHE N N 2 121.410 124.007 -2.597 1 1 21 . 5 1 1 A 25 25 ARG H H 3 8.559 9.040 -0.481 1 1 22 . 5 1 1 A 25 25 ARG HA H 3 5.932 5.125 0.807 1 1 29 . 5 1 1 A 25 25 ARG C C 3 175.870 174.402 1.468 1 1 30 . 5 1 1 A 25 25 ARG CA C 3 53.965 55.149 -1.184 1 1 31 . 5 1 1 A 25 25 ARG CB C 3 34.959 33.623 1.336 1 1 34 . 5 1 1 A 25 25 ARG N N 3 123.288 121.131 2.157 1 1 35 . 5 1 1 A 26 26 SER H H 4 9.096 8.903 0.193 1 1 36 . 5 1 1 A 26 26 SER HA H 4 5.306 5.526 -0.220 1 1 39 . 5 1 1 A 26 26 SER C C 4 173.230 172.820 0.410 1 1 40 . 5 1 1 A 26 26 SER CA C 4 56.908 56.467 0.441 1 1 41 . 5 1 1 A 26 26 SER CB C 4 66.846 66.604 0.242 1 1 42 . 5 1 1 A 26 26 SER N N 4 120.152 119.661 0.491 1 1 43 . 5 1 1 A 27 27 THR H H 5 8.889 8.901 -0.012 1 1 44 . 5 1 1 A 27 27 THR HA H 5 6.172 5.553 0.619 1 1 49 . 5 1 1 A 27 27 THR C C 5 173.740 172.272 1.468 1 1 50 . 5 1 1 A 27 27 THR CA C 5 59.621 60.789 -1.168 1 1 51 . 5 1 1 A 27 27 THR CB C 5 75.444 71.508 3.936 1 1 53 . 5 1 1 A 27 27 THR N N 5 112.196 114.705 -2.509 1 1 54 . 5 1 1 A 28 28 SER H H 6 8.945 9.111 -0.166 1 1 55 . 5 1 1 A 28 28 SER HA H 6 4.643 5.467 -0.824 1 1 58 . 5 1 1 A 28 28 SER C C 6 173.400 172.988 0.412 1 1 59 . 5 1 1 A 28 28 SER CA C 6 57.727 56.927 0.800 1 1 60 . 5 1 1 A 28 28 SER CB C 6 65.115 64.753 0.362 1 1 61 . 5 1 1 A 28 28 SER N N 6 115.468 121.444 -5.976 1 1 62 . 5 1 1 A 29 29 HIS H H 7 8.713 8.935 -0.222 1 1 63 . 5 1 1 A 29 29 HIS HA H 7 5.046 5.814 -0.768 1 1 67 . 5 1 1 A 29 29 HIS C C 7 175.330 174.051 1.279 1 1 68 . 5 1 1 A 29 29 HIS CA C 7 55.507 53.890 1.617 1 1 69 . 5 1 1 A 29 29 HIS CB C 7 31.214 32.118 -0.904 1 1 70 . 5 1 1 A 29 29 HIS N N 7 130.131 123.559 6.572 1 1 71 . 5 1 1 A 30 30 VAL H H 8 9.318 8.786 0.532 1 1 72 . 5 1 1 A 30 30 VAL HA H 8 4.431 4.643 -0.212 1 1 80 . 5 1 1 A 30 30 VAL C C 8 175.620 174.667 0.953 1 1 81 . 5 1 1 A 30 30 VAL CA C 8 61.142 60.167 0.975 1 1 82 . 5 1 1 A 30 30 VAL CB C 8 33.063 35.661 -2.598 1 1 85 . 5 1 1 A 30 30 VAL N N 8 128.679 121.806 6.873 1 1 86 . 5 1 1 A 31 31 ARG H H 9 9.212 8.618 0.594 1 1 87 . 5 1 1 A 31 31 ARG HA H 9 4.517 5.020 -0.503 1 1 94 . 5 1 1 A 31 31 ARG C C 9 176.520 175.745 0.775 1 1 95 . 5 1 1 A 31 31 ARG CA C 9 57.458 55.235 2.223 1 1 96 . 5 1 1 A 31 31 ARG CB C 9 29.842 30.841 -0.999 1 1 99 . 5 1 1 A 31 31 ARG N N 9 128.640 125.634 3.006 1 1 100 . 5 1 1 A 32 32 THR H H 10 7.941 8.916 -0.975 1 1 101 . 5 1 1 A 32 32 THR HA H 10 4.627 5.024 -0.397 1 1 105 . 5 1 1 A 32 32 THR C C 10 172.560 172.807 -0.247 1 1 106 . 5 1 1 A 32 32 THR CA C 10 61.473 60.158 1.315 1 1 107 . 5 1 1 A 32 32 THR CB C 10 66.191 73.289 -7.098 1 1 109 . 5 1 1 A 32 32 THR N N 10 120.036 118.587 1.449 1 1 110 . 5 1 1 A 33 33 GLU H H 11 9.022 8.982 0.040 1 1 111 . 5 1 1 A 33 33 GLU HA H 11 4.731 4.811 -0.080 1 1 116 . 5 1 1 A 33 33 GLU C C 11 177.810 176.940 0.870 1 1 117 . 5 1 1 A 33 33 GLU CA C 11 57.466 55.417 2.049 1 1 118 . 5 1 1 A 33 33 GLU CB C 11 30.044 31.781 -1.737 1 1 120 . 5 1 1 A 33 33 GLU N N 11 126.859 123.892 2.967 1 1 121 . 5 1 1 A 34 34 SER H H 12 8.930 9.366 -0.436 1 1 122 . 5 1 1 A 34 34 SER HA H 12 4.795 4.164 0.631 1 1 125 . 5 1 1 A 34 34 SER C C 12 173.360 174.667 -1.307 1 1 126 . 5 1 1 A 34 34 SER CA C 12 56.842 59.103 -2.261 1 1 127 . 5 1 1 A 34 34 SER CB C 12 63.756 62.640 1.116 1 1 128 . 5 1 1 A 34 34 SER N N 12 119.717 118.601 1.116 1 1 129 . 5 1 1 A 35 35 ALA H H 13 8.756 7.864 0.892 1 1 130 . 5 1 1 A 35 35 ALA HA H 13 3.542 4.101 -0.559 1 1 134 . 5 1 1 A 35 35 ALA C C 13 178.560 179.263 -0.703 1 1 135 . 5 1 1 A 35 35 ALA CA C 13 56.288 55.227 1.061 1 1 136 . 5 1 1 A 35 35 ALA CB C 13 21.558 18.721 2.837 1 1 137 . 5 1 1 A 35 35 ALA N N 13 121.856 122.813 -0.957 1 1 138 . 5 1 1 A 36 36 ALA H H 14 8.442 8.165 0.277 1 1 139 . 5 1 1 A 36 36 ALA HA H 14 3.691 4.234 -0.543 1 1 143 . 5 1 1 A 36 36 ALA C C 14 179.900 179.604 0.296 1 1 144 . 5 1 1 A 36 36 ALA CA C 14 55.754 54.764 0.990 1 1 145 . 5 1 1 A 36 36 ALA CB C 14 17.368 18.385 -1.017 1 1 146 . 5 1 1 A 36 36 ALA N N 14 117.191 119.521 -2.330 1 1 147 . 5 1 1 A 37 37 ARG H H 15 7.513 7.429 0.084 1 1 148 . 5 1 1 A 37 37 ARG HA H 15 4.097 4.047 0.050 1 1 155 . 5 1 1 A 37 37 ARG C C 15 178.720 178.671 0.049 1 1 156 . 5 1 1 A 37 37 ARG CA C 15 58.699 58.771 -0.072 1 1 157 . 5 1 1 A 37 37 ARG CB C 15 30.024 29.773 0.251 1 1 160 . 5 1 1 A 37 37 ARG N N 15 118.952 118.908 0.044 1 1 161 . 5 1 1 A 38 38 TYR H H 16 7.632 7.864 -0.232 1 1 162 . 5 1 1 A 38 38 TYR HA H 16 4.433 4.389 0.044 1 1 166 . 5 1 1 A 38 38 TYR C C 16 178.110 178.444 -0.334 1 1 167 . 5 1 1 A 38 38 TYR CA C 16 58.473 60.776 -2.303 1 1 168 . 5 1 1 A 38 38 TYR CB C 16 36.286 37.760 -1.474 1 1 169 . 5 1 1 A 38 38 TYR N N 16 118.516 119.543 -1.027 1 1 170 . 5 1 1 A 39 39 VAL H H 17 8.680 8.218 0.462 1 1 171 . 5 1 1 A 39 39 VAL HA H 17 3.491 3.714 -0.223 1 1 179 . 5 1 1 A 39 39 VAL C C 17 177.450 177.857 -0.407 1 1 180 . 5 1 1 A 39 39 VAL CA C 17 68.093 66.684 1.409 1 1 181 . 5 1 1 A 39 39 VAL CB C 17 31.943 31.339 0.604 1 1 184 . 5 1 1 A 39 39 VAL N N 17 119.126 120.235 -1.109 1 1 185 . 5 1 1 A 40 40 ASN H H 18 7.813 7.766 0.047 1 1 186 . 5 1 1 A 40 40 ASN HA H 18 4.280 4.531 -0.251 1 1 189 . 5 1 1 A 40 40 ASN C C 18 177.190 177.987 -0.797 1 1 190 . 5 1 1 A 40 40 ASN CA C 18 57.525 56.267 1.258 1 1 191 . 5 1 1 A 40 40 ASN CB C 18 39.474 37.969 1.505 1 1 192 . 5 1 1 A 40 40 ASN N N 18 118.013 117.143 0.870 1 1 193 . 5 1 1 A 41 41 ARG H H 19 8.425 8.542 -0.117 1 1 194 . 5 1 1 A 41 41 ARG HA H 19 4.010 4.188 -0.178 1 1 201 . 5 1 1 A 41 41 ARG C C 19 180.050 179.258 0.792 1 1 202 . 5 1 1 A 41 41 ARG CA C 19 59.734 58.848 0.886 1 1 203 . 5 1 1 A 41 41 ARG CB C 19 30.877 29.696 1.181 1 1 206 . 5 1 1 A 41 41 ARG N N 19 116.687 120.430 -3.743 1 1 207 . 5 1 1 A 42 42 LEU H H 20 8.731 8.864 -0.133 1 1 208 . 5 1 1 A 42 42 LEU HA H 20 3.904 4.187 -0.283 1 1 218 . 5 1 1 A 42 42 LEU C C 20 178.690 178.721 -0.031 1 1 219 . 5 1 1 A 42 42 LEU CA C 20 58.238 57.942 0.296 1 1 220 . 5 1 1 A 42 42 LEU CB C 20 41.659 41.746 -0.087 1 1 224 . 5 1 1 A 42 42 LEU N N 20 120.849 120.114 0.735 1 1 225 . 5 1 1 A 43 43 CYS H H 21 8.241 8.154 0.087 1 1 226 . 5 1 1 A 43 43 CYS HA H 21 4.268 4.168 0.100 1 1 229 . 5 1 1 A 43 43 CYS C C 21 177.530 177.041 0.489 1 1 230 . 5 1 1 A 43 43 CYS CA C 21 65.374 62.511 2.863 1 1 231 . 5 1 1 A 43 43 CYS CB C 21 27.962 27.500 0.462 1 1 232 . 5 1 1 A 43 43 CYS N N 21 115.952 117.711 -1.759 1 1 233 . 5 1 1 A 44 44 LYS H H 22 8.364 7.983 0.381 1 1 234 . 5 1 1 A 44 44 LYS HA H 22 4.091 4.255 -0.164 1 1 243 . 5 1 1 A 44 44 LYS C C 22 179.020 178.774 0.246 1 1 244 . 5 1 1 A 44 44 LYS CA C 22 59.004 58.269 0.735 1 1 245 . 5 1 1 A 44 44 LYS CB C 22 31.921 32.493 -0.572 1 1 249 . 5 1 1 A 44 44 LYS N N 22 119.823 120.539 -0.716 1 1 250 . 5 1 1 A 45 45 HIS H H 23 8.036 8.195 -0.159 1 1 251 . 5 1 1 A 45 45 HIS HA H 23 4.408 4.208 0.200 1 1 255 . 5 1 1 A 45 45 HIS C C 23 177.870 176.849 1.021 1 1 256 . 5 1 1 A 45 45 HIS CA C 23 60.404 59.355 1.049 1 1 257 . 5 1 1 A 45 45 HIS CB C 23 30.954 30.732 0.222 1 1 258 . 5 1 1 A 45 45 HIS N N 23 118.729 121.069 -2.340 1 1 259 . 5 1 1 A 46 46 TRP H H 24 8.426 9.054 -0.628 1 1 260 . 5 1 1 A 46 46 TRP HA H 24 4.903 4.602 0.301 1 1 265 . 5 1 1 A 46 46 TRP C C 24 177.900 177.732 0.168 1 1 266 . 5 1 1 A 46 46 TRP CA C 24 58.973 59.368 -0.395 1 1 267 . 5 1 1 A 46 46 TRP CB C 24 29.328 29.063 0.265 1 1 268 . 5 1 1 A 46 46 TRP N N 24 117.297 116.785 0.512 1 1 270 . 5 1 1 A 47 47 GLY H H 25 8.254 8.203 0.051 1 1 271 . 5 1 1 A 47 47 GLY HA2 H 25 4.362 4.064 0.298 1 1 272 . 5 1 1 A 47 47 GLY HA3 H 25 3.936 4.100 -0.164 1 1 273 . 5 1 1 A 47 47 GLY CA C 25 46.812 47.455 -0.643 1 1 274 . 5 1 1 A 47 47 GLY N N 25 108.683 108.350 0.333 1 1 275 . 5 1 1 A 48 48 HIS C C 26 176.030 175.163 0.867 1 1 276 . 5 1 1 A 48 48 HIS CA C 26 58.358 57.067 1.291 1 1 277 . 5 1 1 A 48 48 HIS CB C 26 30.438 32.139 -1.701 1 1 278 . 5 1 1 A 49 49 LYS H H 27 7.544 7.960 -0.416 1 1 279 . 5 1 1 A 49 49 LYS HA H 27 4.236 4.324 -0.088 1 1 288 . 5 1 1 A 49 49 LYS C C 27 174.880 174.396 0.484 1 1 289 . 5 1 1 A 49 49 LYS CA C 27 56.572 55.162 1.410 1 1 290 . 5 1 1 A 49 49 LYS CB C 27 35.793 33.965 1.828 1 1 294 . 5 1 1 A 49 49 LYS N N 27 117.278 120.304 -3.026 1 1 295 . 5 1 1 A 50 50 PHE H H 28 8.178 7.697 0.481 1 1 296 . 5 1 1 A 50 50 PHE HA H 28 5.016 5.060 -0.044 1 1 301 . 5 1 1 A 50 50 PHE C C 28 174.190 174.605 -0.415 1 1 302 . 5 1 1 A 50 50 PHE CA C 28 55.756 56.174 -0.418 1 1 303 . 5 1 1 A 50 50 PHE CB C 28 41.140 43.278 -2.138 1 1 304 . 5 1 1 A 50 50 PHE N N 28 118.846 119.167 -0.321 1 1 305 . 5 1 1 A 51 51 GLU H H 29 7.812 8.488 -0.676 1 1 306 . 5 1 1 A 51 51 GLU HA H 29 4.449 4.628 -0.179 1 1 311 . 5 1 1 A 51 51 GLU C C 29 175.570 175.932 -0.362 1 1 312 . 5 1 1 A 51 51 GLU CA C 29 56.852 56.176 0.676 1 1 313 . 5 1 1 A 51 51 GLU CB C 29 30.207 29.453 0.754 1 1 315 . 5 1 1 A 51 51 GLU N N 29 120.355 121.221 -0.866 1 1 316 . 5 1 1 A 52 52 VAL H H 30 8.395 8.949 -0.554 1 1 317 . 5 1 1 A 52 52 VAL HA H 30 5.383 5.560 -0.177 1 1 325 . 5 1 1 A 52 52 VAL C C 30 175.850 174.331 1.519 1 1 326 . 5 1 1 A 52 52 VAL CA C 30 59.969 60.587 -0.618 1 1 327 . 5 1 1 A 52 52 VAL CB C 30 36.173 34.305 1.868 1 1 330 . 5 1 1 A 52 52 VAL N N 30 124.120 121.466 2.654 1 1 331 . 5 1 1 A 53 53 GLU H H 31 9.289 9.340 -0.051 1 1 332 . 5 1 1 A 53 53 GLU HA H 31 4.717 5.159 -0.442 1 1 337 . 5 1 1 A 53 53 GLU C C 31 174.370 174.951 -0.581 1 1 338 . 5 1 1 A 53 53 GLU CA C 31 55.415 55.384 0.031 1 1 339 . 5 1 1 A 53 53 GLU CB C 31 33.211 32.771 0.440 1 1 341 . 5 1 1 A 53 53 GLU N N 31 126.346 125.700 0.646 1 1 342 . 5 1 1 A 54 54 LEU H H 32 8.763 8.804 -0.041 1 1 343 . 5 1 1 A 54 54 LEU HA H 32 5.375 5.083 0.292 1 1 353 . 5 1 1 A 54 54 LEU C C 32 175.100 175.245 -0.145 1 1 354 . 5 1 1 A 54 54 LEU CA C 32 55.010 54.159 0.851 1 1 355 . 5 1 1 A 54 54 LEU CB C 32 45.485 45.267 0.218 1 1 359 . 5 1 1 A 54 54 LEU N N 32 126.898 124.224 2.674 1 1 360 . 5 1 1 A 55 55 THR H H 33 9.159 8.241 0.918 1 1 361 . 5 1 1 A 55 55 THR HA H 33 4.886 5.059 -0.173 1 1 366 . 5 1 1 A 55 55 THR CA C 33 59.489 58.614 0.875 1 1 367 . 5 1 1 A 55 55 THR CB C 33 69.241 70.184 -0.943 1 1 369 . 5 1 1 A 55 55 THR N N 33 121.246 116.942 4.304 1 1 370 . 5 1 1 A 56 56 PRO HA H 34 4.269 4.592 -0.323 1 1 377 . 5 1 1 A 56 56 PRO C C 34 177.750 175.669 2.081 1 1 378 . 5 1 1 A 56 56 PRO CA C 34 65.968 62.856 3.112 1 1 379 . 5 1 1 A 56 56 PRO CB C 34 31.786 29.760 2.026 1 1 382 . 5 1 1 A 57 57 GLU H H 35 8.148 8.386 -0.238 1 1 383 . 5 1 1 A 57 57 GLU HA H 35 4.351 4.528 -0.177 1 1 388 . 5 1 1 A 57 57 GLU C C 35 175.720 175.898 -0.178 1 1 389 . 5 1 1 A 57 57 GLU CA C 35 57.085 56.787 0.298 1 1 390 . 5 1 1 A 57 57 GLU CB C 35 30.299 32.414 -2.115 1 1 392 . 5 1 1 A 57 57 GLU N N 35 112.303 120.482 -8.179 1 1 393 . 5 1 1 A 58 58 ARG H H 36 7.777 7.839 -0.062 1 1 394 . 5 1 1 A 58 58 ARG HA H 36 5.418 5.130 0.288 1 1 401 . 5 1 1 A 58 58 ARG C C 36 173.610 174.087 -0.477 1 1 402 . 5 1 1 A 58 58 ARG CA C 36 55.576 55.002 0.574 1 1 403 . 5 1 1 A 58 58 ARG CB C 36 33.324 32.606 0.718 1 1 406 . 5 1 1 A 58 58 ARG N N 36 122.018 115.273 6.745 1 1 407 . 5 1 1 A 59 59 GLY H H 37 9.650 8.770 0.880 1 1 408 . 5 1 1 A 59 59 GLY HA2 H 37 5.484 4.237 1.247 1 1 409 . 5 1 1 A 59 59 GLY HA3 H 37 3.554 4.260 -0.706 1 1 410 . 5 1 1 A 59 59 GLY C C 37 171.630 171.965 -0.335 1 1 411 . 5 1 1 A 59 59 GLY CA C 37 44.563 44.456 0.107 1 1 412 . 5 1 1 A 59 59 GLY N N 37 113.745 106.764 6.981 1 1 413 . 5 1 1 A 60 60 PHE H H 38 9.138 8.782 0.356 1 1 414 . 5 1 1 A 60 60 PHE HA H 38 5.472 5.033 0.439 1 1 419 . 5 1 1 A 60 60 PHE C C 38 173.180 174.126 -0.946 1 1 420 . 5 1 1 A 60 60 PHE CA C 38 57.234 56.293 0.941 1 1 421 . 5 1 1 A 60 60 PHE CB C 38 43.107 41.031 2.076 1 1 422 . 5 1 1 A 60 60 PHE N N 38 124.144 125.647 -1.503 1 1 423 . 5 1 1 A 61 61 ILE H H 39 8.618 8.548 0.070 1 1 424 . 5 1 1 A 61 61 ILE HA H 39 4.226 4.742 -0.516 1 1 434 . 5 1 1 A 61 61 ILE C C 39 172.950 173.954 -1.004 1 1 435 . 5 1 1 A 61 61 ILE CA C 39 60.357 60.464 -0.107 1 1 436 . 5 1 1 A 61 61 ILE CB C 39 41.488 39.650 1.838 1 1 440 . 5 1 1 A 61 61 ILE N N 39 126.753 127.834 -1.081 1 1 441 . 5 1 1 A 62 62 ASP H H 40 8.192 8.062 0.130 1 1 442 . 5 1 1 A 62 62 ASP HA H 40 4.464 5.193 -0.729 1 1 445 . 5 1 1 A 62 62 ASP C C 40 176.240 176.261 -0.021 1 1 446 . 5 1 1 A 62 62 ASP CA C 40 52.208 52.041 0.167 1 1 447 . 5 1 1 A 62 62 ASP CB C 40 41.489 43.013 -1.524 1 1 448 . 5 1 1 A 62 62 ASP N N 40 124.314 128.347 -4.033 1 1 449 . 5 1 1 A 63 63 PHE H H 41 8.165 8.751 -0.586 1 1 450 . 5 1 1 A 63 63 PHE HA H 41 4.007 4.628 -0.621 1 1 454 . 5 1 1 A 63 63 PHE C C 41 175.640 175.681 -0.041 1 1 455 . 5 1 1 A 63 63 PHE CA C 41 58.407 59.509 -1.102 1 1 456 . 5 1 1 A 63 63 PHE CB C 41 38.486 39.622 -1.136 1 1 457 . 5 1 1 A 63 63 PHE N N 41 123.395 121.674 1.721 1 1 458 . 5 1 1 A 64 64 GLY H H 42 9.003 7.221 1.782 1 1 459 . 5 1 1 A 64 64 GLY HA2 H 42 4.675 4.150 0.525 1 1 460 . 5 1 1 A 64 64 GLY HA3 H 42 3.484 4.181 -0.697 1 1 461 . 5 1 1 A 64 64 GLY CA C 42 45.938 45.539 0.399 1 1 462 . 5 1 1 A 64 64 GLY N N 42 112.196 106.745 5.451 1 1 463 . 5 1 1 A 65 65 ASP HA H 43 4.675 4.522 0.153 1 1 466 . 5 1 1 A 65 65 ASP C C 43 176.170 176.010 0.160 1 1 467 . 5 1 1 A 65 65 ASP CA C 43 55.415 56.028 -0.613 1 1 468 . 5 1 1 A 65 65 ASP CB C 43 41.379 41.405 -0.026 1 1 469 . 5 1 1 A 66 66 SER H H 44 7.743 7.984 -0.241 1 1 470 . 5 1 1 A 66 66 SER HA H 44 5.292 5.017 0.275 1 1 473 . 5 1 1 A 66 66 SER C C 44 172.190 173.478 -1.288 1 1 474 . 5 1 1 A 66 66 SER CA C 44 57.890 56.065 1.825 1 1 475 . 5 1 1 A 66 66 SER CB C 44 66.054 66.096 -0.042 1 1 476 . 5 1 1 A 66 66 SER N N 44 112.796 111.157 1.639 1 1 477 . 5 1 1 A 67 67 ASN H H 45 9.075 8.840 0.235 1 1 478 . 5 1 1 A 67 67 ASN HA H 45 5.126 5.267 -0.141 1 1 481 . 5 1 1 A 67 67 ASN C C 45 172.300 173.865 -1.565 1 1 482 . 5 1 1 A 67 67 ASN CA C 45 52.997 51.676 1.321 1 1 483 . 5 1 1 A 67 67 ASN CB C 45 42.047 43.560 -1.513 1 1 484 . 5 1 1 A 67 67 ASN N N 45 114.955 117.596 -2.641 1 1 485 . 5 1 1 A 68 68 CYS H H 46 8.757 8.210 0.547 1 1 486 . 5 1 1 A 68 68 CYS HA H 46 5.652 4.878 0.774 1 1 489 . 5 1 1 A 68 68 CYS C C 46 170.650 172.851 -2.201 1 1 490 . 5 1 1 A 68 68 CYS CA C 46 56.668 58.443 -1.775 1 1 491 . 5 1 1 A 68 68 CYS CB C 46 31.195 29.397 1.798 1 1 492 . 5 1 1 A 68 68 CYS N N 46 119.184 118.221 0.963 1 1 493 . 5 1 1 A 69 69 GLU H H 47 9.587 9.298 0.289 1 1 494 . 5 1 1 A 69 69 GLU HA H 47 5.283 5.404 -0.121 1 1 499 . 5 1 1 A 69 69 GLU C C 47 174.190 175.004 -0.814 1 1 500 . 5 1 1 A 69 69 GLU CA C 47 54.401 55.760 -1.359 1 1 501 . 5 1 1 A 69 69 GLU CB C 47 33.607 31.930 1.677 1 1 503 . 5 1 1 A 69 69 GLU N N 47 131.612 128.721 2.891 1 1 504 . 5 1 1 A 70 70 LEU H H 48 9.523 8.578 0.945 1 1 505 . 5 1 1 A 70 70 LEU HA H 48 5.314 4.988 0.326 1 1 515 . 5 1 1 A 70 70 LEU C C 48 174.730 174.034 0.696 1 1 516 . 5 1 1 A 70 70 LEU CA C 48 53.570 54.175 -0.605 1 1 517 . 5 1 1 A 70 70 LEU CB C 48 46.109 45.552 0.557 1 1 521 . 5 1 1 A 70 70 LEU N N 48 125.069 125.235 -0.166 1 1 522 . 5 1 1 A 71 71 LEU H H 49 9.493 9.479 0.014 1 1 523 . 5 1 1 A 71 71 LEU HA H 49 5.001 5.158 -0.157 1 1 533 . 5 1 1 A 71 71 LEU C C 49 175.310 175.257 0.053 1 1 534 . 5 1 1 A 71 71 LEU CA C 49 53.809 54.081 -0.272 1 1 535 . 5 1 1 A 71 71 LEU CB C 49 42.880 44.203 -1.323 1 1 539 . 5 1 1 A 71 71 LEU N N 49 123.714 128.559 -4.845 1 1 540 . 5 1 1 A 72 72 ALA H H 50 8.255 8.128 0.127 1 1 541 . 5 1 1 A 72 72 ALA HA H 50 4.307 5.173 -0.866 1 1 545 . 5 1 1 A 72 72 ALA C C 50 174.800 175.316 -0.516 1 1 546 . 5 1 1 A 72 72 ALA CA C 50 51.618 51.488 0.130 1 1 547 . 5 1 1 A 72 72 ALA CB C 50 18.634 21.488 -2.854 1 1 548 . 5 1 1 A 72 72 ALA N N 50 125.398 128.275 -2.877 1 1 549 . 5 1 1 A 73 73 HIS H H 51 8.053 9.513 -1.460 1 1 550 . 5 1 1 A 73 73 HIS HA H 51 4.953 4.972 -0.019 1 1 554 . 5 1 1 A 73 73 HIS CA C 51 54.682 53.897 0.785 1 1 555 . 5 1 1 A 73 73 HIS CB C 51 31.150 32.113 -0.963 1 1 556 . 5 1 1 A 73 73 HIS N N 51 123.172 123.858 -0.686 1 1 557 . 5 1 1 A 74 74 PRO HA H 52 4.385 4.167 0.218 1 1 564 . 5 1 1 A 74 74 PRO C C 52 176.370 176.678 -0.308 1 1 565 . 5 1 1 A 74 74 PRO CA C 52 65.625 65.006 0.619 1 1 566 . 5 1 1 A 74 74 PRO CB C 52 32.014 31.939 0.075 1 1 569 . 5 1 1 A 75 75 ASP H H 53 8.303 8.275 0.028 1 1 570 . 5 1 1 A 75 75 ASP HA H 53 4.955 5.265 -0.310 1 1 573 . 5 1 1 A 75 75 ASP C C 53 177.380 175.323 2.057 1 1 574 . 5 1 1 A 75 75 ASP CA C 53 52.034 54.145 -2.111 1 1 575 . 5 1 1 A 75 75 ASP CB C 53 41.826 42.491 -0.665 1 1 576 . 5 1 1 A 75 75 ASP N N 53 109.961 116.200 -6.239 1 1 577 . 5 1 1 A 76 76 HIS H H 54 7.379 7.622 -0.243 1 1 578 . 5 1 1 A 76 76 HIS HA H 54 5.421 5.431 -0.010 1 1 582 . 5 1 1 A 76 76 HIS C C 54 172.470 172.858 -0.388 1 1 583 . 5 1 1 A 76 76 HIS CA C 54 56.943 54.317 2.626 1 1 584 . 5 1 1 A 76 76 HIS CB C 54 29.909 33.816 -3.907 1 1 585 . 5 1 1 A 76 76 HIS N N 54 114.752 116.422 -1.670 1 1 586 . 5 1 1 A 77 77 VAL H H 55 8.933 8.588 0.345 1 1 587 . 5 1 1 A 77 77 VAL HA H 55 4.837 5.156 -0.319 1 1 595 . 5 1 1 A 77 77 VAL C C 55 173.420 174.051 -0.631 1 1 596 . 5 1 1 A 77 77 VAL CA C 55 59.429 59.921 -0.492 1 1 597 . 5 1 1 A 77 77 VAL CB C 55 35.121 35.590 -0.469 1 1 600 . 5 1 1 A 77 77 VAL N N 55 117.287 119.708 -2.421 1 1 601 . 5 1 1 A 78 78 LEU H H 56 9.004 9.656 -0.652 1 1 602 . 5 1 1 A 78 78 LEU HA H 56 5.466 5.368 0.098 1 1 612 . 5 1 1 A 78 78 LEU C C 56 175.140 175.805 -0.665 1 1 613 . 5 1 1 A 78 78 LEU CA C 56 53.084 53.883 -0.799 1 1 614 . 5 1 1 A 78 78 LEU CB C 56 44.499 45.369 -0.870 1 1 618 . 5 1 1 A 78 78 LEU N N 56 130.334 128.091 2.243 1 1 619 . 5 1 1 A 79 79 MET H H 57 9.381 8.781 0.600 1 1 620 . 5 1 1 A 79 79 MET HA H 57 5.678 5.299 0.379 1 1 625 . 5 1 1 A 79 79 MET C C 57 175.160 174.676 0.484 1 1 626 . 5 1 1 A 79 79 MET CA C 57 54.216 54.342 -0.126 1 1 627 . 5 1 1 A 79 79 MET CB C 57 37.309 35.150 2.159 1 1 629 . 5 1 1 A 79 79 MET N N 57 124.304 122.193 2.111 1 1 630 . 5 1 1 A 80 80 ILE H H 58 9.552 8.760 0.792 1 1 631 . 5 1 1 A 80 80 ILE HA H 58 4.957 5.146 -0.189 1 1 641 . 5 1 1 A 80 80 ILE C C 58 175.160 175.509 -0.349 1 1 642 . 5 1 1 A 80 80 ILE CA C 58 61.338 60.100 1.238 1 1 643 . 5 1 1 A 80 80 ILE CB C 58 41.092 41.356 -0.264 1 1 647 . 5 1 1 A 80 80 ILE N N 58 122.359 124.660 -2.301 1 1 648 . 5 1 1 A 81 81 LEU H H 59 9.549 8.662 0.887 1 1 649 . 5 1 1 A 81 81 LEU HA H 59 5.274 5.243 0.031 1 1 659 . 5 1 1 A 81 81 LEU C C 59 174.280 175.257 -0.977 1 1 660 . 5 1 1 A 81 81 LEU CA C 59 53.621 52.771 0.850 1 1 661 . 5 1 1 A 81 81 LEU CB C 59 46.837 45.102 1.735 1 1 665 . 5 1 1 A 81 81 LEU N N 59 131.901 125.078 6.823 1 1 666 . 5 1 1 A 82 82 ASN H H 60 8.516 8.458 0.058 1 1 667 . 5 1 1 A 82 82 ASN HA H 60 5.851 5.517 0.334 1 1 670 . 5 1 1 A 82 82 ASN C C 60 174.840 174.120 0.720 1 1 671 . 5 1 1 A 82 82 ASN CA C 60 52.549 52.103 0.446 1 1 672 . 5 1 1 A 82 82 ASN CB C 60 43.188 39.735 3.453 1 1 673 . 5 1 1 A 82 82 ASN N N 60 120.142 119.323 0.819 1 1 674 . 5 1 1 A 83 83 SER H H 61 9.176 8.384 0.792 1 1 675 . 5 1 1 A 83 83 SER HA H 61 5.295 4.874 0.421 1 1 678 . 5 1 1 A 83 83 SER CA C 61 57.388 55.687 1.701 1 1 679 . 5 1 1 A 83 83 SER CB C 61 68.052 66.050 2.002 1 1 680 . 5 1 1 A 83 83 SER N N 61 116.871 119.481 -2.610 1 1 681 . 5 1 1 A 84 84 PRO HA H 62 4.907 4.043 0.864 1 1 688 . 5 1 1 A 84 84 PRO C C 62 175.210 175.105 0.105 1 1 689 . 5 1 1 A 84 84 PRO CA C 62 64.539 63.723 0.816 1 1 690 . 5 1 1 A 84 84 PRO CB C 62 32.726 31.739 0.987 1 1 693 . 5 1 1 A 85 85 ASP H H 63 7.228 7.655 -0.427 1 1 694 . 5 1 1 A 85 85 ASP HA H 63 4.630 5.248 -0.618 1 1 697 . 5 1 1 A 85 85 ASP C C 63 174.540 175.864 -1.324 1 1 698 . 5 1 1 A 85 85 ASP CA C 63 53.119 53.384 -0.265 1 1 699 . 5 1 1 A 85 85 ASP CB C 63 42.880 43.117 -0.237 1 1 700 . 5 1 1 A 85 85 ASP N N 63 112.313 118.159 -5.846 1 1 701 . 5 1 1 A 86 86 GLU H H 64 8.761 9.506 -0.745 1 1 702 . 5 1 1 A 86 86 GLU HA H 64 3.321 4.146 -0.825 1 1 707 . 5 1 1 A 86 86 GLU C C 64 178.440 178.614 -0.174 1 1 708 . 5 1 1 A 86 86 GLU CA C 64 59.937 59.597 0.340 1 1 709 . 5 1 1 A 86 86 GLU CB C 64 29.707 29.575 0.132 1 1 711 . 5 1 1 A 86 86 GLU N N 64 120.055 125.112 -5.057 1 1 712 . 5 1 1 A 87 87 ASP H H 65 8.332 8.589 -0.257 1 1 713 . 5 1 1 A 87 87 ASP HA H 65 4.414 4.326 0.088 1 1 716 . 5 1 1 A 87 87 ASP C C 65 179.400 178.582 0.818 1 1 717 . 5 1 1 A 87 87 ASP CA C 65 57.203 57.643 -0.440 1 1 718 . 5 1 1 A 87 87 ASP CB C 65 40.323 41.338 -1.015 1 1 719 . 5 1 1 A 87 87 ASP N N 65 121.933 120.156 1.777 1 1 720 . 5 1 1 A 88 88 SER H H 66 8.949 7.745 1.204 1 1 721 . 5 1 1 A 88 88 SER HA H 66 4.169 4.207 -0.038 1 1 724 . 5 1 1 A 88 88 SER C C 66 176.110 176.221 -0.111 1 1 725 . 5 1 1 A 88 88 SER CA C 66 62.032 62.406 -0.374 1 1 726 . 5 1 1 A 88 88 SER CB C 66 62.178 63.077 -0.899 1 1 727 . 5 1 1 A 88 88 SER N N 66 119.726 116.601 3.125 1 1 728 . 5 1 1 A 89 89 LEU H H 67 7.737 8.836 -1.099 1 1 729 . 5 1 1 A 89 89 LEU HA H 67 4.017 4.416 -0.399 1 1 739 . 5 1 1 A 89 89 LEU C C 67 177.790 178.162 -0.372 1 1 740 . 5 1 1 A 89 89 LEU CA C 67 57.958 58.400 -0.442 1 1 741 . 5 1 1 A 89 89 LEU CB C 67 42.394 42.295 0.099 1 1 745 . 5 1 1 A 89 89 LEU N N 67 122.942 122.766 0.176 1 1 746 . 5 1 1 A 90 90 ALA H H 68 7.483 9.346 -1.863 1 1 747 . 5 1 1 A 90 90 ALA HA H 68 3.780 4.035 -0.255 1 1 751 . 5 1 1 A 90 90 ALA C C 68 180.410 179.455 0.955 1 1 752 . 5 1 1 A 90 90 ALA CA C 68 54.782 54.695 0.087 1 1 753 . 5 1 1 A 90 90 ALA CB C 68 17.857 18.401 -0.544 1 1 754 . 5 1 1 A 90 90 ALA N N 68 119.446 120.276 -0.830 1 1 755 . 5 1 1 A 91 91 HIS H H 69 7.707 8.146 -0.439 1 1 756 . 5 1 1 A 91 91 HIS HA H 69 4.377 4.475 -0.098 1 1 760 . 5 1 1 A 91 91 HIS C C 69 177.865 177.113 0.752 1 1 761 . 5 1 1 A 91 91 HIS CA C 69 59.518 59.550 -0.032 1 1 762 . 5 1 1 A 91 91 HIS CB C 69 30.954 29.496 1.458 1 1 763 . 5 1 1 A 91 91 HIS N N 69 116.881 117.607 -0.726 1 1 764 . 5 1 1 A 92 92 MET H H 70 8.467 8.133 0.334 1 1 765 . 5 1 1 A 92 92 MET HA H 70 4.087 3.950 0.137 1 1 770 . 5 1 1 A 92 92 MET C C 70 178.390 178.150 0.240 1 1 771 . 5 1 1 A 92 92 MET CA C 70 55.584 58.418 -2.834 1 1 772 . 5 1 1 A 92 92 MET CB C 70 29.773 33.244 -3.471 1 1 774 . 5 1 1 A 92 92 MET N N 70 116.968 117.560 -0.592 1 1 775 . 5 1 1 A 93 93 GLN H H 71 8.309 8.108 0.201 1 1 776 . 5 1 1 A 93 93 GLN HA H 71 2.874 3.997 -1.123 1 1 781 . 5 1 1 A 93 93 GLN C C 71 178.420 177.757 0.663 1 1 782 . 5 1 1 A 93 93 GLN CA C 71 58.852 58.457 0.395 1 1 783 . 5 1 1 A 93 93 GLN CB C 71 27.658 28.039 -0.381 1 1 785 . 5 1 1 A 93 93 GLN N N 71 120.665 117.288 3.377 1 1 786 . 5 1 1 A 94 94 ASN H H 72 6.899 8.267 -1.368 1 1 787 . 5 1 1 A 94 94 ASN HA H 72 4.596 4.394 0.202 1 1 790 . 5 1 1 A 94 94 ASN C C 72 177.380 177.667 -0.287 1 1 791 . 5 1 1 A 94 94 ASN CA C 72 56.037 55.947 0.090 1 1 792 . 5 1 1 A 94 94 ASN CB C 72 38.219 37.630 0.589 1 1 793 . 5 1 1 A 94 94 ASN N N 72 116.271 117.838 -1.567 1 1 794 . 5 1 1 A 95 95 VAL H H 73 8.050 7.547 0.503 1 1 795 . 5 1 1 A 95 95 VAL HA H 73 3.983 3.414 0.569 1 1 803 . 5 1 1 A 95 95 VAL C C 73 180.050 178.111 1.939 1 1 804 . 5 1 1 A 95 95 VAL CA C 73 66.515 66.258 0.257 1 1 805 . 5 1 1 A 95 95 VAL CB C 73 32.587 31.396 1.191 1 1 808 . 5 1 1 A 95 95 VAL N N 73 121.798 120.547 1.251 1 1 809 . 5 1 1 A 96 96 VAL H H 74 9.082 7.583 1.499 1 1 810 . 5 1 1 A 96 96 VAL HA H 74 3.986 2.695 1.291 1 1 818 . 5 1 1 A 96 96 VAL C C 74 177.490 177.849 -0.359 1 1 819 . 5 1 1 A 96 96 VAL CA C 74 67.947 65.910 2.037 1 1 820 . 5 1 1 A 96 96 VAL CB C 74 31.966 31.194 0.772 1 1 823 . 5 1 1 A 96 96 VAL N N 74 120.549 120.293 0.256 1 1 824 . 5 1 1 A 97 97 ALA H H 75 8.285 7.716 0.569 1 1 825 . 5 1 1 A 97 97 ALA HA H 75 4.108 3.895 0.213 1 1 829 . 5 1 1 A 97 97 ALA C C 75 179.320 179.084 0.236 1 1 830 . 5 1 1 A 97 97 ALA CA C 75 56.117 54.830 1.287 1 1 831 . 5 1 1 A 97 97 ALA CB C 75 19.867 18.386 1.481 1 1 832 . 5 1 1 A 97 97 ALA N N 75 120.375 121.640 -1.265 1 1 833 . 5 1 1 A 98 98 ASP H H 76 8.522 7.554 0.968 1 1 834 . 5 1 1 A 98 98 ASP HA H 76 4.356 4.351 0.005 1 1 837 . 5 1 1 A 98 98 ASP C C 76 179.100 178.538 0.562 1 1 838 . 5 1 1 A 98 98 ASP CA C 76 57.252 57.063 0.189 1 1 839 . 5 1 1 A 98 98 ASP CB C 76 41.335 40.991 0.344 1 1 840 . 5 1 1 A 98 98 ASP N N 76 116.871 118.670 -1.799 1 1 841 . 5 1 1 A 99 99 HIS H H 77 8.162 7.725 0.437 1 1 842 . 5 1 1 A 99 99 HIS HA H 77 3.847 4.318 -0.471 1 1 846 . 5 1 1 A 99 99 HIS C C 77 177.440 178.092 -0.652 1 1 847 . 5 1 1 A 99 99 HIS CA C 77 61.636 59.297 2.339 1 1 848 . 5 1 1 A 99 99 HIS CB C 77 29.328 29.730 -0.402 1 1 849 . 5 1 1 A 99 99 HIS N N 77 116.758 118.714 -1.956 1 1 850 . 5 1 1 A 100 100 LEU H H 78 8.718 8.156 0.562 1 1 851 . 5 1 1 A 100 100 LEU HA H 78 3.862 3.849 0.013 1 1 861 . 5 1 1 A 100 100 LEU C C 78 177.720 179.679 -1.959 1 1 862 . 5 1 1 A 100 100 LEU CA C 78 58.746 57.251 1.495 1 1 863 . 5 1 1 A 100 100 LEU CB C 78 40.324 41.056 -0.732 1 1 867 . 5 1 1 A 100 100 LEU N N 78 120.332 119.341 0.991 1 1 868 . 5 1 1 A 101 101 GLN H H 79 8.167 8.111 0.056 1 1 869 . 5 1 1 A 101 101 GLN HA H 79 3.973 4.013 -0.040 1 1 874 . 5 1 1 A 101 101 GLN C C 79 178.990 178.629 0.361 1 1 875 . 5 1 1 A 101 101 GLN CA C 79 58.359 58.911 -0.552 1 1 876 . 5 1 1 A 101 101 GLN CB C 79 29.575 28.415 1.160 1 1 878 . 5 1 1 A 101 101 GLN N N 79 115.715 119.980 -4.265 1 1 879 . 5 1 1 A 102 102 ARG H H 80 7.835 7.883 -0.048 1 1 880 . 5 1 1 A 102 102 ARG HA H 80 3.990 4.055 -0.065 1 1 887 . 5 1 1 A 102 102 ARG C C 80 178.540 177.178 1.362 1 1 888 . 5 1 1 A 102 102 ARG CA C 80 58.789 58.968 -0.179 1 1 889 . 5 1 1 A 102 102 ARG CB C 80 30.218 30.140 0.078 1 1 892 . 5 1 1 A 102 102 ARG N N 80 118.207 118.517 -0.310 1 1 893 . 5 1 1 A 103 103 MET H H 81 7.645 7.784 -0.139 1 1 894 . 5 1 1 A 103 103 MET HA H 81 4.353 4.176 0.177 1 1 899 . 5 1 1 A 103 103 MET C C 81 176.300 176.554 -0.254 1 1 900 . 5 1 1 A 103 103 MET CA C 81 55.646 56.956 -1.310 1 1 901 . 5 1 1 A 103 103 MET CB C 81 32.620 31.863 0.757 1 1 903 . 5 1 1 A 103 103 MET N N 81 116.250 116.329 -0.079 1 1 904 . 5 1 1 A 104 104 ALA H H 82 7.324 7.851 -0.527 1 1 905 . 5 1 1 A 104 104 ALA HA H 82 4.386 4.461 -0.075 1 1 909 . 5 1 1 A 104 104 ALA CA C 82 51.004 53.397 -2.393 1 1 910 . 5 1 1 A 104 104 ALA CB C 82 17.678 20.969 -3.291 1 1 911 . 5 1 1 A 104 104 ALA N N 82 123.602 121.830 1.772 1 1 912 . 5 1 1 A 106 106 SER HA H 84 4.610 4.270 0.340 1 1 915 . 5 1 1 A 106 106 SER C C 84 173.480 173.648 -0.168 1 1 916 . 5 1 1 A 106 106 SER CA C 84 58.041 60.638 -2.597 1 1 917 . 5 1 1 A 106 106 SER CB C 84 64.139 62.841 1.298 1 1 918 . 5 1 1 A 107 107 GLU H H 85 7.443 8.308 -0.865 1 1 919 . 5 1 1 A 107 107 GLU HA H 85 4.640 4.709 -0.069 1 1 924 . 5 1 1 A 107 107 GLU CA C 85 55.058 55.333 -0.275 1 1 925 . 5 1 1 A 107 107 GLU CB C 85 32.203 31.201 1.002 1 1 927 . 5 1 1 A 107 107 GLU N N 85 119.316 118.092 1.224 1 1 928 . 5 1 1 A 108 108 SER HA H 86 4.549 4.949 -0.400 1 1 931 . 5 1 1 A 108 108 SER C C 86 174.220 174.426 -0.206 1 1 932 . 5 1 1 A 108 108 SER CA C 86 57.291 57.658 -0.367 1 1 933 . 5 1 1 A 108 108 SER CB C 86 62.819 62.191 0.628 1 1 934 . 5 1 1 A 109 109 LEU H H 87 9.011 8.162 0.849 1 1 935 . 5 1 1 A 109 109 LEU HA H 87 4.606 3.970 0.636 1 1 945 . 5 1 1 A 109 109 LEU C C 87 176.720 176.204 0.516 1 1 946 . 5 1 1 A 109 109 LEU CA C 87 54.024 55.502 -1.478 1 1 947 . 5 1 1 A 109 109 LEU CB C 87 43.358 40.788 2.570 1 1 951 . 5 1 1 A 109 109 LEU N N 87 126.582 119.483 7.099 1 1 952 . 5 1 1 A 110 110 GLU H H 88 8.530 8.883 -0.353 1 1 953 . 5 1 1 A 110 110 GLU HA H 88 4.541 4.541 0.000 1 1 958 . 5 1 1 A 110 110 GLU C C 88 175.340 176.018 -0.678 1 1 959 . 5 1 1 A 110 110 GLU CA C 88 55.555 56.243 -0.688 1 1 960 . 5 1 1 A 110 110 GLU CB C 88 29.970 30.028 -0.058 1 1 962 . 5 1 1 A 110 110 GLU N N 88 123.263 125.552 -2.289 1 1 963 . 5 1 1 A 111 111 ILE H H 89 8.842 8.432 0.410 1 1 964 . 5 1 1 A 111 111 ILE HA H 89 3.911 4.870 -0.959 1 1 974 . 5 1 1 A 111 111 ILE C C 89 173.250 174.167 -0.917 1 1 975 . 5 1 1 A 111 111 ILE CA C 89 61.207 59.233 1.974 1 1 976 . 5 1 1 A 111 111 ILE CB C 89 38.989 41.001 -2.012 1 1 980 . 5 1 1 A 111 111 ILE N N 89 128.558 122.036 6.522 1 1 981 . 5 1 1 A 112 112 ALA H H 90 8.651 8.774 -0.123 1 1 982 . 5 1 1 A 112 112 ALA HA H 90 4.733 4.944 -0.211 1 1 986 . 5 1 1 A 112 112 ALA C C 90 177.040 176.585 0.455 1 1 987 . 5 1 1 A 112 112 ALA CA C 90 50.598 50.231 0.367 1 1 988 . 5 1 1 A 112 112 ALA CB C 90 21.517 20.035 1.482 1 1 989 . 5 1 1 A 112 112 ALA N N 90 131.215 128.569 2.646 1 1 990 . 5 1 1 A 113 113 TRP H H 91 9.084 8.672 0.412 1 1 991 . 5 1 1 A 113 113 TRP HA H 91 5.129 5.360 -0.231 1 1 996 . 5 1 1 A 113 113 TRP C C 91 176.725 176.216 0.509 1 1 997 . 5 1 1 A 113 113 TRP CA C 91 56.263 55.236 1.027 1 1 998 . 5 1 1 A 113 113 TRP CB C 91 31.282 31.216 0.066 1 1 999 . 5 1 1 A 113 113 TRP N N 91 125.391 124.507 0.884 1 1 1001 . 5 1 1 A 114 114 GLN H H 92 9.712 9.186 0.526 1 1 1002 . 5 1 1 A 114 114 GLN HA H 92 5.078 4.471 0.607 1 1 1007 . 5 1 1 A 114 114 GLN CA C 92 52.872 54.170 -1.298 1 1 1008 . 5 1 1 A 114 114 GLN CB C 92 30.288 28.274 2.014 1 1 1010 . 5 1 1 A 114 114 GLN N N 92 122.696 121.310 1.386 1 1 1011 . 5 1 1 A 115 115 PRO HA H 93 4.689 4.456 0.233 1 1 1018 . 5 1 1 A 115 115 PRO C C 93 176.690 177.319 -0.629 1 1 1019 . 5 1 1 A 115 115 PRO CA C 93 63.246 65.539 -2.293 1 1 1020 . 5 1 1 A 115 115 PRO CB C 93 32.152 31.797 0.355 1 1 1023 . 5 1 1 A 116 116 ALA H H 94 8.429 8.059 0.370 1 1 1024 . 5 1 1 A 116 116 ALA HA H 94 4.615 4.569 0.046 1 1 1028 . 5 1 1 A 116 116 ALA C C 94 177.230 175.863 1.367 1 1 1029 . 5 1 1 A 116 116 ALA CA C 94 51.966 54.690 -2.724 1 1 1030 . 5 1 1 A 116 116 ALA CB C 94 20.497 17.539 2.958 1 1 1031 . 5 1 1 A 116 116 ALA N N 94 125.566 119.194 6.372 1 1 1032 . 5 1 1 A 117 117 GLU H H 95 8.754 7.839 0.915 1 1 1033 . 5 1 1 A 117 117 GLU HA H 95 4.479 4.630 -0.151 1 1 1038 . 5 1 1 A 117 117 GLU CA C 95 56.146 56.517 -0.371 1 1 1039 . 5 1 1 A 117 117 GLU CB C 95 30.856 33.734 -2.878 1 1 11 . 6 1 1 A 24 24 PHE H H 2 8.940 8.247 0.693 1 1 12 . 6 1 1 A 24 24 PHE HA H 2 4.540 5.026 -0.486 1 1 17 . 6 1 1 A 24 24 PHE C C 2 173.640 175.354 -1.714 1 1 18 . 6 1 1 A 24 24 PHE CA C 2 58.262 57.438 0.824 1 1 19 . 6 1 1 A 24 24 PHE CB C 2 40.639 41.366 -0.727 1 1 20 . 6 1 1 A 24 24 PHE N N 2 121.410 123.945 -2.535 1 1 21 . 6 1 1 A 25 25 ARG H H 3 8.559 8.931 -0.372 1 1 22 . 6 1 1 A 25 25 ARG HA H 3 5.932 5.126 0.806 1 1 29 . 6 1 1 A 25 25 ARG C C 3 175.870 174.264 1.606 1 1 30 . 6 1 1 A 25 25 ARG CA C 3 53.965 55.149 -1.184 1 1 31 . 6 1 1 A 25 25 ARG CB C 3 34.959 33.639 1.320 1 1 34 . 6 1 1 A 25 25 ARG N N 3 123.288 121.093 2.195 1 1 35 . 6 1 1 A 26 26 SER H H 4 9.096 8.908 0.188 1 1 36 . 6 1 1 A 26 26 SER HA H 4 5.306 5.518 -0.212 1 1 39 . 6 1 1 A 26 26 SER C C 4 173.230 172.804 0.426 1 1 40 . 6 1 1 A 26 26 SER CA C 4 56.908 56.454 0.454 1 1 41 . 6 1 1 A 26 26 SER CB C 4 66.846 66.721 0.125 1 1 42 . 6 1 1 A 26 26 SER N N 4 120.152 119.665 0.487 1 1 43 . 6 1 1 A 27 27 THR H H 5 8.889 8.904 -0.015 1 1 44 . 6 1 1 A 27 27 THR HA H 5 6.172 5.603 0.569 1 1 49 . 6 1 1 A 27 27 THR C C 5 173.740 172.352 1.388 1 1 50 . 6 1 1 A 27 27 THR CA C 5 59.621 60.806 -1.185 1 1 51 . 6 1 1 A 27 27 THR CB C 5 75.444 71.511 3.933 1 1 53 . 6 1 1 A 27 27 THR N N 5 112.196 114.736 -2.540 1 1 54 . 6 1 1 A 28 28 SER H H 6 8.945 9.114 -0.169 1 1 55 . 6 1 1 A 28 28 SER HA H 6 4.643 5.407 -0.764 1 1 58 . 6 1 1 A 28 28 SER C C 6 173.400 173.074 0.326 1 1 59 . 6 1 1 A 28 28 SER CA C 6 57.727 56.926 0.801 1 1 60 . 6 1 1 A 28 28 SER CB C 6 65.115 64.785 0.330 1 1 61 . 6 1 1 A 28 28 SER N N 6 115.468 121.604 -6.136 1 1 62 . 6 1 1 A 29 29 HIS H H 7 8.713 8.854 -0.141 1 1 63 . 6 1 1 A 29 29 HIS HA H 7 5.046 5.868 -0.822 1 1 67 . 6 1 1 A 29 29 HIS C C 7 175.330 174.006 1.324 1 1 68 . 6 1 1 A 29 29 HIS CA C 7 55.507 53.798 1.709 1 1 69 . 6 1 1 A 29 29 HIS CB C 7 31.214 32.391 -1.177 1 1 70 . 6 1 1 A 29 29 HIS N N 7 130.131 122.748 7.383 1 1 71 . 6 1 1 A 30 30 VAL H H 8 9.318 8.770 0.548 1 1 72 . 6 1 1 A 30 30 VAL HA H 8 4.431 4.615 -0.184 1 1 80 . 6 1 1 A 30 30 VAL C C 8 175.620 174.692 0.928 1 1 81 . 6 1 1 A 30 30 VAL CA C 8 61.142 60.169 0.973 1 1 82 . 6 1 1 A 30 30 VAL CB C 8 33.063 35.671 -2.608 1 1 85 . 6 1 1 A 30 30 VAL N N 8 128.679 121.821 6.858 1 1 86 . 6 1 1 A 31 31 ARG H H 9 9.212 8.617 0.595 1 1 87 . 6 1 1 A 31 31 ARG HA H 9 4.517 5.016 -0.499 1 1 94 . 6 1 1 A 31 31 ARG C C 9 176.520 175.980 0.540 1 1 95 . 6 1 1 A 31 31 ARG CA C 9 57.458 55.322 2.136 1 1 96 . 6 1 1 A 31 31 ARG CB C 9 29.842 30.758 -0.916 1 1 99 . 6 1 1 A 31 31 ARG N N 9 128.640 125.638 3.002 1 1 100 . 6 1 1 A 32 32 THR H H 10 7.941 9.091 -1.150 1 1 101 . 6 1 1 A 32 32 THR HA H 10 4.627 5.060 -0.433 1 1 105 . 6 1 1 A 32 32 THR C C 10 172.560 173.331 -0.771 1 1 106 . 6 1 1 A 32 32 THR CA C 10 61.473 60.370 1.103 1 1 107 . 6 1 1 A 32 32 THR CB C 10 66.191 73.185 -6.994 1 1 109 . 6 1 1 A 32 32 THR N N 10 120.036 118.585 1.451 1 1 110 . 6 1 1 A 33 33 GLU H H 11 9.022 8.941 0.081 1 1 111 . 6 1 1 A 33 33 GLU HA H 11 4.731 4.823 -0.092 1 1 116 . 6 1 1 A 33 33 GLU C C 11 177.810 176.938 0.872 1 1 117 . 6 1 1 A 33 33 GLU CA C 11 57.466 55.472 1.994 1 1 118 . 6 1 1 A 33 33 GLU CB C 11 30.044 31.727 -1.683 1 1 120 . 6 1 1 A 33 33 GLU N N 11 126.859 124.146 2.713 1 1 121 . 6 1 1 A 34 34 SER H H 12 8.930 9.319 -0.389 1 1 122 . 6 1 1 A 34 34 SER HA H 12 4.795 4.182 0.613 1 1 125 . 6 1 1 A 34 34 SER C C 12 173.360 174.710 -1.350 1 1 126 . 6 1 1 A 34 34 SER CA C 12 56.842 59.108 -2.266 1 1 127 . 6 1 1 A 34 34 SER CB C 12 63.756 62.743 1.013 1 1 128 . 6 1 1 A 34 34 SER N N 12 119.717 118.859 0.858 1 1 129 . 6 1 1 A 35 35 ALA H H 13 8.756 7.884 0.872 1 1 130 . 6 1 1 A 35 35 ALA HA H 13 3.542 4.049 -0.507 1 1 134 . 6 1 1 A 35 35 ALA C C 13 178.560 179.278 -0.718 1 1 135 . 6 1 1 A 35 35 ALA CA C 13 56.288 55.201 1.087 1 1 136 . 6 1 1 A 35 35 ALA CB C 13 21.558 18.479 3.079 1 1 137 . 6 1 1 A 35 35 ALA N N 13 121.856 122.792 -0.936 1 1 138 . 6 1 1 A 36 36 ALA H H 14 8.442 8.132 0.310 1 1 139 . 6 1 1 A 36 36 ALA HA H 14 3.691 4.028 -0.337 1 1 143 . 6 1 1 A 36 36 ALA C C 14 179.900 179.581 0.319 1 1 144 . 6 1 1 A 36 36 ALA CA C 14 55.754 54.958 0.796 1 1 145 . 6 1 1 A 36 36 ALA CB C 14 17.368 18.651 -1.283 1 1 146 . 6 1 1 A 36 36 ALA N N 14 117.191 119.312 -2.121 1 1 147 . 6 1 1 A 37 37 ARG H H 15 7.513 7.533 -0.020 1 1 148 . 6 1 1 A 37 37 ARG HA H 15 4.097 4.057 0.040 1 1 155 . 6 1 1 A 37 37 ARG C C 15 178.720 178.708 0.012 1 1 156 . 6 1 1 A 37 37 ARG CA C 15 58.699 58.697 0.002 1 1 157 . 6 1 1 A 37 37 ARG CB C 15 30.024 29.776 0.248 1 1 160 . 6 1 1 A 37 37 ARG N N 15 118.952 118.959 -0.007 1 1 161 . 6 1 1 A 38 38 TYR H H 16 7.632 7.638 -0.006 1 1 162 . 6 1 1 A 38 38 TYR HA H 16 4.433 4.359 0.074 1 1 166 . 6 1 1 A 38 38 TYR C C 16 178.110 178.391 -0.281 1 1 167 . 6 1 1 A 38 38 TYR CA C 16 58.473 60.833 -2.360 1 1 168 . 6 1 1 A 38 38 TYR CB C 16 36.286 37.732 -1.446 1 1 169 . 6 1 1 A 38 38 TYR N N 16 118.516 119.566 -1.050 1 1 170 . 6 1 1 A 39 39 VAL H H 17 8.680 8.166 0.514 1 1 171 . 6 1 1 A 39 39 VAL HA H 17 3.491 3.716 -0.225 1 1 179 . 6 1 1 A 39 39 VAL C C 17 177.450 177.821 -0.371 1 1 180 . 6 1 1 A 39 39 VAL CA C 17 68.093 66.645 1.448 1 1 181 . 6 1 1 A 39 39 VAL CB C 17 31.943 31.308 0.635 1 1 184 . 6 1 1 A 39 39 VAL N N 17 119.126 120.164 -1.038 1 1 185 . 6 1 1 A 40 40 ASN H H 18 7.813 7.899 -0.086 1 1 186 . 6 1 1 A 40 40 ASN HA H 18 4.280 4.514 -0.234 1 1 189 . 6 1 1 A 40 40 ASN C C 18 177.190 177.973 -0.783 1 1 190 . 6 1 1 A 40 40 ASN CA C 18 57.525 56.502 1.023 1 1 191 . 6 1 1 A 40 40 ASN CB C 18 39.474 37.811 1.663 1 1 192 . 6 1 1 A 40 40 ASN N N 18 118.013 116.904 1.109 1 1 193 . 6 1 1 A 41 41 ARG H H 19 8.425 8.368 0.057 1 1 194 . 6 1 1 A 41 41 ARG HA H 19 4.010 4.177 -0.167 1 1 201 . 6 1 1 A 41 41 ARG C C 19 180.050 179.146 0.904 1 1 202 . 6 1 1 A 41 41 ARG CA C 19 59.734 58.710 1.024 1 1 203 . 6 1 1 A 41 41 ARG CB C 19 30.877 29.899 0.978 1 1 206 . 6 1 1 A 41 41 ARG N N 19 116.687 120.695 -4.008 1 1 207 . 6 1 1 A 42 42 LEU H H 20 8.731 7.877 0.854 1 1 208 . 6 1 1 A 42 42 LEU HA H 20 3.904 4.209 -0.305 1 1 218 . 6 1 1 A 42 42 LEU C C 20 178.690 178.774 -0.084 1 1 219 . 6 1 1 A 42 42 LEU CA C 20 58.238 57.912 0.326 1 1 220 . 6 1 1 A 42 42 LEU CB C 20 41.659 41.761 -0.102 1 1 224 . 6 1 1 A 42 42 LEU N N 20 120.849 120.073 0.776 1 1 225 . 6 1 1 A 43 43 CYS H H 21 8.241 8.708 -0.467 1 1 226 . 6 1 1 A 43 43 CYS HA H 21 4.268 4.191 0.077 1 1 229 . 6 1 1 A 43 43 CYS C C 21 177.530 176.684 0.846 1 1 230 . 6 1 1 A 43 43 CYS CA C 21 65.374 62.453 2.921 1 1 231 . 6 1 1 A 43 43 CYS CB C 21 27.962 27.382 0.580 1 1 232 . 6 1 1 A 43 43 CYS N N 21 115.952 117.753 -1.801 1 1 233 . 6 1 1 A 44 44 LYS H H 22 8.364 7.923 0.441 1 1 234 . 6 1 1 A 44 44 LYS HA H 22 4.091 4.320 -0.229 1 1 243 . 6 1 1 A 44 44 LYS C C 22 179.020 178.880 0.140 1 1 244 . 6 1 1 A 44 44 LYS CA C 22 59.004 57.948 1.056 1 1 245 . 6 1 1 A 44 44 LYS CB C 22 31.921 32.649 -0.728 1 1 249 . 6 1 1 A 44 44 LYS N N 22 119.823 120.417 -0.594 1 1 250 . 6 1 1 A 45 45 HIS H H 23 8.036 8.242 -0.206 1 1 251 . 6 1 1 A 45 45 HIS HA H 23 4.408 4.235 0.173 1 1 255 . 6 1 1 A 45 45 HIS C C 23 177.870 177.017 0.853 1 1 256 . 6 1 1 A 45 45 HIS CA C 23 60.404 59.473 0.931 1 1 257 . 6 1 1 A 45 45 HIS CB C 23 30.954 30.752 0.202 1 1 258 . 6 1 1 A 45 45 HIS N N 23 118.729 121.104 -2.375 1 1 259 . 6 1 1 A 46 46 TRP H H 24 8.426 8.931 -0.505 1 1 260 . 6 1 1 A 46 46 TRP HA H 24 4.903 4.675 0.228 1 1 265 . 6 1 1 A 46 46 TRP C C 24 177.900 177.718 0.182 1 1 266 . 6 1 1 A 46 46 TRP CA C 24 58.973 59.382 -0.409 1 1 267 . 6 1 1 A 46 46 TRP CB C 24 29.328 29.492 -0.164 1 1 268 . 6 1 1 A 46 46 TRP N N 24 117.297 116.436 0.861 1 1 270 . 6 1 1 A 47 47 GLY H H 25 8.254 8.283 -0.029 1 1 271 . 6 1 1 A 47 47 GLY HA2 H 25 4.362 4.079 0.283 1 1 272 . 6 1 1 A 47 47 GLY HA3 H 25 3.936 4.138 -0.202 1 1 273 . 6 1 1 A 47 47 GLY CA C 25 46.812 47.452 -0.640 1 1 274 . 6 1 1 A 47 47 GLY N N 25 108.683 108.575 0.108 1 1 275 . 6 1 1 A 48 48 HIS C C 26 176.030 175.294 0.736 1 1 276 . 6 1 1 A 48 48 HIS CA C 26 58.358 57.428 0.930 1 1 277 . 6 1 1 A 48 48 HIS CB C 26 30.438 31.934 -1.496 1 1 278 . 6 1 1 A 49 49 LYS H H 27 7.544 7.963 -0.419 1 1 279 . 6 1 1 A 49 49 LYS HA H 27 4.236 4.358 -0.122 1 1 288 . 6 1 1 A 49 49 LYS C C 27 174.880 174.427 0.453 1 1 289 . 6 1 1 A 49 49 LYS CA C 27 56.572 55.275 1.297 1 1 290 . 6 1 1 A 49 49 LYS CB C 27 35.793 33.880 1.913 1 1 294 . 6 1 1 A 49 49 LYS N N 27 117.278 119.845 -2.567 1 1 295 . 6 1 1 A 50 50 PHE H H 28 8.178 7.684 0.494 1 1 296 . 6 1 1 A 50 50 PHE HA H 28 5.016 5.095 -0.079 1 1 301 . 6 1 1 A 50 50 PHE C C 28 174.190 174.804 -0.614 1 1 302 . 6 1 1 A 50 50 PHE CA C 28 55.756 56.362 -0.606 1 1 303 . 6 1 1 A 50 50 PHE CB C 28 41.140 43.179 -2.039 1 1 304 . 6 1 1 A 50 50 PHE N N 28 118.846 119.083 -0.237 1 1 305 . 6 1 1 A 51 51 GLU H H 29 7.812 8.551 -0.739 1 1 306 . 6 1 1 A 51 51 GLU HA H 29 4.449 4.610 -0.161 1 1 311 . 6 1 1 A 51 51 GLU C C 29 175.570 176.123 -0.553 1 1 312 . 6 1 1 A 51 51 GLU CA C 29 56.852 56.263 0.589 1 1 313 . 6 1 1 A 51 51 GLU CB C 29 30.207 29.936 0.271 1 1 315 . 6 1 1 A 51 51 GLU N N 29 120.355 121.290 -0.935 1 1 316 . 6 1 1 A 52 52 VAL H H 30 8.395 8.989 -0.594 1 1 317 . 6 1 1 A 52 52 VAL HA H 30 5.383 5.490 -0.107 1 1 325 . 6 1 1 A 52 52 VAL C C 30 175.850 174.768 1.082 1 1 326 . 6 1 1 A 52 52 VAL CA C 30 59.969 60.396 -0.427 1 1 327 . 6 1 1 A 52 52 VAL CB C 30 36.173 34.357 1.816 1 1 330 . 6 1 1 A 52 52 VAL N N 30 124.120 121.308 2.812 1 1 331 . 6 1 1 A 53 53 GLU H H 31 9.289 9.141 0.148 1 1 332 . 6 1 1 A 53 53 GLU HA H 31 4.717 5.007 -0.290 1 1 337 . 6 1 1 A 53 53 GLU C C 31 174.370 175.566 -1.196 1 1 338 . 6 1 1 A 53 53 GLU CA C 31 55.415 56.017 -0.602 1 1 339 . 6 1 1 A 53 53 GLU CB C 31 33.211 31.958 1.253 1 1 341 . 6 1 1 A 53 53 GLU N N 31 126.346 127.233 -0.887 1 1 342 . 6 1 1 A 54 54 LEU H H 32 8.763 8.730 0.033 1 1 343 . 6 1 1 A 54 54 LEU HA H 32 5.375 5.080 0.295 1 1 353 . 6 1 1 A 54 54 LEU C C 32 175.100 175.472 -0.372 1 1 354 . 6 1 1 A 54 54 LEU CA C 32 55.010 54.230 0.780 1 1 355 . 6 1 1 A 54 54 LEU CB C 32 45.485 45.269 0.216 1 1 359 . 6 1 1 A 54 54 LEU N N 32 126.898 124.395 2.503 1 1 360 . 6 1 1 A 55 55 THR H H 33 9.159 8.314 0.845 1 1 361 . 6 1 1 A 55 55 THR HA H 33 4.886 5.092 -0.206 1 1 366 . 6 1 1 A 55 55 THR CA C 33 59.489 58.853 0.636 1 1 367 . 6 1 1 A 55 55 THR CB C 33 69.241 70.428 -1.187 1 1 369 . 6 1 1 A 55 55 THR N N 33 121.246 116.999 4.247 1 1 370 . 6 1 1 A 56 56 PRO HA H 34 4.269 4.617 -0.348 1 1 377 . 6 1 1 A 56 56 PRO C C 34 177.750 175.656 2.094 1 1 378 . 6 1 1 A 56 56 PRO CA C 34 65.968 62.865 3.103 1 1 379 . 6 1 1 A 56 56 PRO CB C 34 31.786 29.779 2.007 1 1 382 . 6 1 1 A 57 57 GLU H H 35 8.148 8.315 -0.167 1 1 383 . 6 1 1 A 57 57 GLU HA H 35 4.351 4.539 -0.188 1 1 388 . 6 1 1 A 57 57 GLU C C 35 175.720 175.906 -0.186 1 1 389 . 6 1 1 A 57 57 GLU CA C 35 57.085 56.892 0.193 1 1 390 . 6 1 1 A 57 57 GLU CB C 35 30.299 32.417 -2.118 1 1 392 . 6 1 1 A 57 57 GLU N N 35 112.303 120.482 -8.179 1 1 393 . 6 1 1 A 58 58 ARG H H 36 7.777 7.846 -0.069 1 1 394 . 6 1 1 A 58 58 ARG HA H 36 5.418 5.164 0.254 1 1 401 . 6 1 1 A 58 58 ARG C C 36 173.610 173.964 -0.354 1 1 402 . 6 1 1 A 58 58 ARG CA C 36 55.576 55.008 0.568 1 1 403 . 6 1 1 A 58 58 ARG CB C 36 33.324 32.611 0.713 1 1 406 . 6 1 1 A 58 58 ARG N N 36 122.018 115.296 6.722 1 1 407 . 6 1 1 A 59 59 GLY H H 37 9.650 8.632 1.018 1 1 408 . 6 1 1 A 59 59 GLY HA2 H 37 5.484 4.239 1.245 1 1 409 . 6 1 1 A 59 59 GLY HA3 H 37 3.554 4.260 -0.706 1 1 410 . 6 1 1 A 59 59 GLY C C 37 171.630 171.909 -0.279 1 1 411 . 6 1 1 A 59 59 GLY CA C 37 44.563 44.556 0.007 1 1 412 . 6 1 1 A 59 59 GLY N N 37 113.745 106.892 6.853 1 1 413 . 6 1 1 A 60 60 PHE H H 38 9.138 8.724 0.414 1 1 414 . 6 1 1 A 60 60 PHE HA H 38 5.472 5.146 0.326 1 1 419 . 6 1 1 A 60 60 PHE C C 38 173.180 174.195 -1.015 1 1 420 . 6 1 1 A 60 60 PHE CA C 38 57.234 56.249 0.985 1 1 421 . 6 1 1 A 60 60 PHE CB C 38 43.107 41.730 1.377 1 1 422 . 6 1 1 A 60 60 PHE N N 38 124.144 125.930 -1.786 1 1 423 . 6 1 1 A 61 61 ILE H H 39 8.618 8.503 0.115 1 1 424 . 6 1 1 A 61 61 ILE HA H 39 4.226 4.923 -0.697 1 1 434 . 6 1 1 A 61 61 ILE C C 39 172.950 173.935 -0.985 1 1 435 . 6 1 1 A 61 61 ILE CA C 39 60.357 60.541 -0.184 1 1 436 . 6 1 1 A 61 61 ILE CB C 39 41.488 39.949 1.539 1 1 440 . 6 1 1 A 61 61 ILE N N 39 126.753 127.315 -0.562 1 1 441 . 6 1 1 A 62 62 ASP H H 40 8.192 7.998 0.194 1 1 442 . 6 1 1 A 62 62 ASP HA H 40 4.464 5.314 -0.850 1 1 445 . 6 1 1 A 62 62 ASP C C 40 176.240 176.433 -0.193 1 1 446 . 6 1 1 A 62 62 ASP CA C 40 52.208 52.203 0.005 1 1 447 . 6 1 1 A 62 62 ASP CB C 40 41.489 42.090 -0.601 1 1 448 . 6 1 1 A 62 62 ASP N N 40 124.314 128.004 -3.690 1 1 449 . 6 1 1 A 63 63 PHE H H 41 8.165 8.760 -0.595 1 1 450 . 6 1 1 A 63 63 PHE HA H 41 4.007 4.796 -0.789 1 1 454 . 6 1 1 A 63 63 PHE C C 41 175.640 175.849 -0.209 1 1 455 . 6 1 1 A 63 63 PHE CA C 41 58.407 57.863 0.544 1 1 456 . 6 1 1 A 63 63 PHE CB C 41 38.486 39.153 -0.667 1 1 457 . 6 1 1 A 63 63 PHE N N 41 123.395 122.000 1.395 1 1 458 . 6 1 1 A 64 64 GLY H H 42 9.003 7.941 1.062 1 1 459 . 6 1 1 A 64 64 GLY HA2 H 42 4.675 4.040 0.635 1 1 460 . 6 1 1 A 64 64 GLY HA3 H 42 3.484 4.053 -0.569 1 1 461 . 6 1 1 A 64 64 GLY CA C 42 45.938 46.436 -0.498 1 1 462 . 6 1 1 A 64 64 GLY N N 42 112.196 107.525 4.671 1 1 463 . 6 1 1 A 65 65 ASP HA H 43 4.675 4.715 -0.040 1 1 466 . 6 1 1 A 65 65 ASP C C 43 176.170 174.552 1.618 1 1 467 . 6 1 1 A 65 65 ASP CA C 43 55.415 53.193 2.222 1 1 468 . 6 1 1 A 65 65 ASP CB C 43 41.379 38.915 2.464 1 1 469 . 6 1 1 A 66 66 SER H H 44 7.743 7.463 0.280 1 1 470 . 6 1 1 A 66 66 SER HA H 44 5.292 5.045 0.247 1 1 473 . 6 1 1 A 66 66 SER C C 44 172.190 172.215 -0.025 1 1 474 . 6 1 1 A 66 66 SER CA C 44 57.890 57.636 0.254 1 1 475 . 6 1 1 A 66 66 SER CB C 44 66.054 65.840 0.214 1 1 476 . 6 1 1 A 66 66 SER N N 44 112.796 113.390 -0.594 1 1 477 . 6 1 1 A 67 67 ASN H H 45 9.075 8.949 0.126 1 1 478 . 6 1 1 A 67 67 ASN HA H 45 5.126 5.223 -0.097 1 1 481 . 6 1 1 A 67 67 ASN C C 45 172.300 173.077 -0.777 1 1 482 . 6 1 1 A 67 67 ASN CA C 45 52.997 51.854 1.143 1 1 483 . 6 1 1 A 67 67 ASN CB C 45 42.047 43.630 -1.583 1 1 484 . 6 1 1 A 67 67 ASN N N 45 114.955 117.123 -2.168 1 1 485 . 6 1 1 A 68 68 CYS H H 46 8.757 8.254 0.503 1 1 486 . 6 1 1 A 68 68 CYS HA H 46 5.652 5.113 0.539 1 1 489 . 6 1 1 A 68 68 CYS C C 46 170.650 172.617 -1.967 1 1 490 . 6 1 1 A 68 68 CYS CA C 46 56.668 58.227 -1.559 1 1 491 . 6 1 1 A 68 68 CYS CB C 46 31.195 29.679 1.516 1 1 492 . 6 1 1 A 68 68 CYS N N 46 119.184 117.539 1.645 1 1 493 . 6 1 1 A 69 69 GLU H H 47 9.587 9.352 0.235 1 1 494 . 6 1 1 A 69 69 GLU HA H 47 5.283 5.524 -0.241 1 1 499 . 6 1 1 A 69 69 GLU C C 47 174.190 174.806 -0.616 1 1 500 . 6 1 1 A 69 69 GLU CA C 47 54.401 55.412 -1.011 1 1 501 . 6 1 1 A 69 69 GLU CB C 47 33.607 32.406 1.201 1 1 503 . 6 1 1 A 69 69 GLU N N 47 131.612 127.172 4.440 1 1 504 . 6 1 1 A 70 70 LEU H H 48 9.523 8.401 1.122 1 1 505 . 6 1 1 A 70 70 LEU HA H 48 5.314 4.984 0.330 1 1 515 . 6 1 1 A 70 70 LEU C C 48 174.730 174.034 0.696 1 1 516 . 6 1 1 A 70 70 LEU CA C 48 53.570 54.348 -0.778 1 1 517 . 6 1 1 A 70 70 LEU CB C 48 46.109 45.629 0.480 1 1 521 . 6 1 1 A 70 70 LEU N N 48 125.069 124.874 0.195 1 1 522 . 6 1 1 A 71 71 LEU H H 49 9.493 9.538 -0.045 1 1 523 . 6 1 1 A 71 71 LEU HA H 49 5.001 5.273 -0.272 1 1 533 . 6 1 1 A 71 71 LEU C C 49 175.310 175.214 0.096 1 1 534 . 6 1 1 A 71 71 LEU CA C 49 53.809 54.218 -0.409 1 1 535 . 6 1 1 A 71 71 LEU CB C 49 42.880 44.164 -1.284 1 1 539 . 6 1 1 A 71 71 LEU N N 49 123.714 128.538 -4.824 1 1 540 . 6 1 1 A 72 72 ALA H H 50 8.255 8.526 -0.271 1 1 541 . 6 1 1 A 72 72 ALA HA H 50 4.307 5.133 -0.826 1 1 545 . 6 1 1 A 72 72 ALA C C 50 174.800 175.509 -0.709 1 1 546 . 6 1 1 A 72 72 ALA CA C 50 51.618 51.179 0.439 1 1 547 . 6 1 1 A 72 72 ALA CB C 50 18.634 21.643 -3.009 1 1 548 . 6 1 1 A 72 72 ALA N N 50 125.398 128.594 -3.196 1 1 549 . 6 1 1 A 73 73 HIS H H 51 8.053 9.306 -1.253 1 1 550 . 6 1 1 A 73 73 HIS HA H 51 4.953 4.897 0.056 1 1 554 . 6 1 1 A 73 73 HIS CA C 51 54.682 53.963 0.719 1 1 555 . 6 1 1 A 73 73 HIS CB C 51 31.150 32.746 -1.596 1 1 556 . 6 1 1 A 73 73 HIS N N 51 123.172 123.435 -0.263 1 1 557 . 6 1 1 A 74 74 PRO HA H 52 4.385 4.173 0.212 1 1 564 . 6 1 1 A 74 74 PRO C C 52 176.370 176.896 -0.526 1 1 565 . 6 1 1 A 74 74 PRO CA C 52 65.625 64.941 0.684 1 1 566 . 6 1 1 A 74 74 PRO CB C 52 32.014 31.939 0.075 1 1 569 . 6 1 1 A 75 75 ASP H H 53 8.303 8.117 0.186 1 1 570 . 6 1 1 A 75 75 ASP HA H 53 4.955 5.405 -0.450 1 1 573 . 6 1 1 A 75 75 ASP C C 53 177.380 175.208 2.172 1 1 574 . 6 1 1 A 75 75 ASP CA C 53 52.034 53.405 -1.371 1 1 575 . 6 1 1 A 75 75 ASP CB C 53 41.826 42.982 -1.156 1 1 576 . 6 1 1 A 75 75 ASP N N 53 109.961 116.878 -6.917 1 1 577 . 6 1 1 A 76 76 HIS H H 54 7.379 7.589 -0.210 1 1 578 . 6 1 1 A 76 76 HIS HA H 54 5.421 5.423 -0.002 1 1 582 . 6 1 1 A 76 76 HIS C C 54 172.470 172.636 -0.166 1 1 583 . 6 1 1 A 76 76 HIS CA C 54 56.943 54.324 2.619 1 1 584 . 6 1 1 A 76 76 HIS CB C 54 29.909 33.528 -3.619 1 1 585 . 6 1 1 A 76 76 HIS N N 54 114.752 116.736 -1.984 1 1 586 . 6 1 1 A 77 77 VAL H H 55 8.933 8.566 0.367 1 1 587 . 6 1 1 A 77 77 VAL HA H 55 4.837 5.184 -0.347 1 1 595 . 6 1 1 A 77 77 VAL C C 55 173.420 174.167 -0.747 1 1 596 . 6 1 1 A 77 77 VAL CA C 55 59.429 59.901 -0.472 1 1 597 . 6 1 1 A 77 77 VAL CB C 55 35.121 35.614 -0.493 1 1 600 . 6 1 1 A 77 77 VAL N N 55 117.287 119.848 -2.561 1 1 601 . 6 1 1 A 78 78 LEU H H 56 9.004 9.402 -0.398 1 1 602 . 6 1 1 A 78 78 LEU HA H 56 5.466 5.354 0.112 1 1 612 . 6 1 1 A 78 78 LEU C C 56 175.140 175.664 -0.524 1 1 613 . 6 1 1 A 78 78 LEU CA C 56 53.084 53.940 -0.856 1 1 614 . 6 1 1 A 78 78 LEU CB C 56 44.499 45.303 -0.804 1 1 618 . 6 1 1 A 78 78 LEU N N 56 130.334 128.146 2.188 1 1 619 . 6 1 1 A 79 79 MET H H 57 9.381 8.838 0.543 1 1 620 . 6 1 1 A 79 79 MET HA H 57 5.678 5.299 0.379 1 1 625 . 6 1 1 A 79 79 MET C C 57 175.160 174.669 0.491 1 1 626 . 6 1 1 A 79 79 MET CA C 57 54.216 54.340 -0.124 1 1 627 . 6 1 1 A 79 79 MET CB C 57 37.309 35.146 2.163 1 1 629 . 6 1 1 A 79 79 MET N N 57 124.304 122.265 2.039 1 1 630 . 6 1 1 A 80 80 ILE H H 58 9.552 8.736 0.816 1 1 631 . 6 1 1 A 80 80 ILE HA H 58 4.957 5.125 -0.168 1 1 641 . 6 1 1 A 80 80 ILE C C 58 175.160 175.433 -0.273 1 1 642 . 6 1 1 A 80 80 ILE CA C 58 61.338 60.018 1.320 1 1 643 . 6 1 1 A 80 80 ILE CB C 58 41.092 41.398 -0.306 1 1 647 . 6 1 1 A 80 80 ILE N N 58 122.359 124.660 -2.301 1 1 648 . 6 1 1 A 81 81 LEU H H 59 9.549 8.605 0.944 1 1 649 . 6 1 1 A 81 81 LEU HA H 59 5.274 5.154 0.120 1 1 659 . 6 1 1 A 81 81 LEU C C 59 174.280 175.379 -1.099 1 1 660 . 6 1 1 A 81 81 LEU CA C 59 53.621 52.583 1.038 1 1 661 . 6 1 1 A 81 81 LEU CB C 59 46.837 45.446 1.391 1 1 665 . 6 1 1 A 81 81 LEU N N 59 131.901 125.075 6.826 1 1 666 . 6 1 1 A 82 82 ASN H H 60 8.516 8.345 0.171 1 1 667 . 6 1 1 A 82 82 ASN HA H 60 5.851 5.480 0.371 1 1 670 . 6 1 1 A 82 82 ASN C C 60 174.840 173.997 0.843 1 1 671 . 6 1 1 A 82 82 ASN CA C 60 52.549 52.051 0.498 1 1 672 . 6 1 1 A 82 82 ASN CB C 60 43.188 39.704 3.484 1 1 673 . 6 1 1 A 82 82 ASN N N 60 120.142 119.201 0.941 1 1 674 . 6 1 1 A 83 83 SER H H 61 9.176 8.388 0.788 1 1 675 . 6 1 1 A 83 83 SER HA H 61 5.295 4.865 0.430 1 1 678 . 6 1 1 A 83 83 SER CA C 61 57.388 55.672 1.716 1 1 679 . 6 1 1 A 83 83 SER CB C 61 68.052 66.215 1.837 1 1 680 . 6 1 1 A 83 83 SER N N 61 116.871 119.348 -2.477 1 1 681 . 6 1 1 A 84 84 PRO HA H 62 4.907 4.030 0.877 1 1 688 . 6 1 1 A 84 84 PRO C C 62 175.210 175.150 0.060 1 1 689 . 6 1 1 A 84 84 PRO CA C 62 64.539 63.724 0.815 1 1 690 . 6 1 1 A 84 84 PRO CB C 62 32.726 31.673 1.053 1 1 693 . 6 1 1 A 85 85 ASP H H 63 7.228 7.726 -0.498 1 1 694 . 6 1 1 A 85 85 ASP HA H 63 4.630 5.266 -0.636 1 1 697 . 6 1 1 A 85 85 ASP C C 63 174.540 175.902 -1.362 1 1 698 . 6 1 1 A 85 85 ASP CA C 63 53.119 53.443 -0.324 1 1 699 . 6 1 1 A 85 85 ASP CB C 63 42.880 43.417 -0.537 1 1 700 . 6 1 1 A 85 85 ASP N N 63 112.313 118.240 -5.927 1 1 701 . 6 1 1 A 86 86 GLU H H 64 8.761 9.450 -0.689 1 1 702 . 6 1 1 A 86 86 GLU HA H 64 3.321 4.116 -0.795 1 1 707 . 6 1 1 A 86 86 GLU C C 64 178.440 178.597 -0.157 1 1 708 . 6 1 1 A 86 86 GLU CA C 64 59.937 59.613 0.324 1 1 709 . 6 1 1 A 86 86 GLU CB C 64 29.707 29.590 0.117 1 1 711 . 6 1 1 A 86 86 GLU N N 64 120.055 125.660 -5.605 1 1 712 . 6 1 1 A 87 87 ASP H H 65 8.332 8.111 0.221 1 1 713 . 6 1 1 A 87 87 ASP HA H 65 4.414 4.302 0.112 1 1 716 . 6 1 1 A 87 87 ASP C C 65 179.400 178.095 1.305 1 1 717 . 6 1 1 A 87 87 ASP CA C 65 57.203 57.660 -0.457 1 1 718 . 6 1 1 A 87 87 ASP CB C 65 40.323 41.253 -0.930 1 1 719 . 6 1 1 A 87 87 ASP N N 65 121.933 120.408 1.525 1 1 720 . 6 1 1 A 88 88 SER H H 66 8.949 7.955 0.994 1 1 721 . 6 1 1 A 88 88 SER HA H 66 4.169 4.241 -0.072 1 1 724 . 6 1 1 A 88 88 SER C C 66 176.110 177.063 -0.953 1 1 725 . 6 1 1 A 88 88 SER CA C 66 62.032 61.614 0.418 1 1 726 . 6 1 1 A 88 88 SER CB C 66 62.178 63.091 -0.913 1 1 727 . 6 1 1 A 88 88 SER N N 66 119.726 113.813 5.913 1 1 728 . 6 1 1 A 89 89 LEU H H 67 7.737 8.852 -1.115 1 1 729 . 6 1 1 A 89 89 LEU HA H 67 4.017 4.378 -0.361 1 1 739 . 6 1 1 A 89 89 LEU C C 67 177.790 178.122 -0.332 1 1 740 . 6 1 1 A 89 89 LEU CA C 67 57.958 58.366 -0.408 1 1 741 . 6 1 1 A 89 89 LEU CB C 67 42.394 42.204 0.190 1 1 745 . 6 1 1 A 89 89 LEU N N 67 122.942 122.263 0.679 1 1 746 . 6 1 1 A 90 90 ALA H H 68 7.483 9.330 -1.847 1 1 747 . 6 1 1 A 90 90 ALA HA H 68 3.780 3.973 -0.193 1 1 751 . 6 1 1 A 90 90 ALA C C 68 180.410 179.316 1.094 1 1 752 . 6 1 1 A 90 90 ALA CA C 68 54.782 54.673 0.109 1 1 753 . 6 1 1 A 90 90 ALA CB C 68 17.857 18.307 -0.450 1 1 754 . 6 1 1 A 90 90 ALA N N 68 119.446 120.229 -0.783 1 1 755 . 6 1 1 A 91 91 HIS H H 69 7.707 8.073 -0.366 1 1 756 . 6 1 1 A 91 91 HIS HA H 69 4.377 3.986 0.391 1 1 760 . 6 1 1 A 91 91 HIS C C 69 177.865 177.069 0.796 1 1 761 . 6 1 1 A 91 91 HIS CA C 69 59.518 59.511 0.007 1 1 762 . 6 1 1 A 91 91 HIS CB C 69 30.954 29.562 1.392 1 1 763 . 6 1 1 A 91 91 HIS N N 69 116.881 117.580 -0.699 1 1 764 . 6 1 1 A 92 92 MET H H 70 8.467 8.109 0.358 1 1 765 . 6 1 1 A 92 92 MET HA H 70 4.087 3.744 0.343 1 1 770 . 6 1 1 A 92 92 MET C C 70 178.390 178.060 0.330 1 1 771 . 6 1 1 A 92 92 MET CA C 70 55.584 58.797 -3.213 1 1 772 . 6 1 1 A 92 92 MET CB C 70 29.773 33.481 -3.708 1 1 774 . 6 1 1 A 92 92 MET N N 70 116.968 116.829 0.139 1 1 775 . 6 1 1 A 93 93 GLN H H 71 8.309 8.185 0.124 1 1 776 . 6 1 1 A 93 93 GLN HA H 71 2.874 3.940 -1.066 1 1 781 . 6 1 1 A 93 93 GLN C C 71 178.420 178.098 0.322 1 1 782 . 6 1 1 A 93 93 GLN CA C 71 58.852 58.414 0.438 1 1 783 . 6 1 1 A 93 93 GLN CB C 71 27.658 27.870 -0.212 1 1 785 . 6 1 1 A 93 93 GLN N N 71 120.665 118.102 2.563 1 1 786 . 6 1 1 A 94 94 ASN H H 72 6.899 8.216 -1.317 1 1 787 . 6 1 1 A 94 94 ASN HA H 72 4.596 4.381 0.215 1 1 790 . 6 1 1 A 94 94 ASN C C 72 177.380 177.392 -0.012 1 1 791 . 6 1 1 A 94 94 ASN CA C 72 56.037 55.763 0.274 1 1 792 . 6 1 1 A 94 94 ASN CB C 72 38.219 38.617 -0.398 1 1 793 . 6 1 1 A 94 94 ASN N N 72 116.271 118.925 -2.654 1 1 794 . 6 1 1 A 95 95 VAL H H 73 8.050 7.609 0.441 1 1 795 . 6 1 1 A 95 95 VAL HA H 73 3.983 3.477 0.506 1 1 803 . 6 1 1 A 95 95 VAL C C 73 180.050 178.120 1.930 1 1 804 . 6 1 1 A 95 95 VAL CA C 73 66.515 65.945 0.570 1 1 805 . 6 1 1 A 95 95 VAL CB C 73 32.587 31.248 1.339 1 1 808 . 6 1 1 A 95 95 VAL N N 73 121.798 119.081 2.717 1 1 809 . 6 1 1 A 96 96 VAL H H 74 9.082 7.544 1.538 1 1 810 . 6 1 1 A 96 96 VAL HA H 74 3.986 2.795 1.191 1 1 818 . 6 1 1 A 96 96 VAL C C 74 177.490 177.914 -0.424 1 1 819 . 6 1 1 A 96 96 VAL CA C 74 67.947 66.061 1.886 1 1 820 . 6 1 1 A 96 96 VAL CB C 74 31.966 31.282 0.684 1 1 823 . 6 1 1 A 96 96 VAL N N 74 120.549 120.534 0.015 1 1 824 . 6 1 1 A 97 97 ALA H H 75 8.285 7.693 0.592 1 1 825 . 6 1 1 A 97 97 ALA HA H 75 4.108 3.889 0.219 1 1 829 . 6 1 1 A 97 97 ALA C C 75 179.320 179.311 0.009 1 1 830 . 6 1 1 A 97 97 ALA CA C 75 56.117 54.958 1.159 1 1 831 . 6 1 1 A 97 97 ALA CB C 75 19.867 18.441 1.426 1 1 832 . 6 1 1 A 97 97 ALA N N 75 120.375 121.651 -1.276 1 1 833 . 6 1 1 A 98 98 ASP H H 76 8.522 7.604 0.918 1 1 834 . 6 1 1 A 98 98 ASP HA H 76 4.356 4.335 0.021 1 1 837 . 6 1 1 A 98 98 ASP C C 76 179.100 178.526 0.574 1 1 838 . 6 1 1 A 98 98 ASP CA C 76 57.252 57.303 -0.051 1 1 839 . 6 1 1 A 98 98 ASP CB C 76 41.335 41.134 0.201 1 1 840 . 6 1 1 A 98 98 ASP N N 76 116.871 118.889 -2.018 1 1 841 . 6 1 1 A 99 99 HIS H H 77 8.162 7.681 0.481 1 1 842 . 6 1 1 A 99 99 HIS HA H 77 3.847 4.280 -0.433 1 1 846 . 6 1 1 A 99 99 HIS C C 77 177.440 178.015 -0.575 1 1 847 . 6 1 1 A 99 99 HIS CA C 77 61.636 59.321 2.315 1 1 848 . 6 1 1 A 99 99 HIS CB C 77 29.328 29.726 -0.398 1 1 849 . 6 1 1 A 99 99 HIS N N 77 116.758 118.767 -2.009 1 1 850 . 6 1 1 A 100 100 LEU H H 78 8.718 8.182 0.536 1 1 851 . 6 1 1 A 100 100 LEU HA H 78 3.862 3.794 0.068 1 1 861 . 6 1 1 A 100 100 LEU C C 78 177.720 179.465 -1.745 1 1 862 . 6 1 1 A 100 100 LEU CA C 78 58.746 57.472 1.274 1 1 863 . 6 1 1 A 100 100 LEU CB C 78 40.324 41.205 -0.881 1 1 867 . 6 1 1 A 100 100 LEU N N 78 120.332 118.913 1.419 1 1 868 . 6 1 1 A 101 101 GLN H H 79 8.167 7.680 0.487 1 1 869 . 6 1 1 A 101 101 GLN HA H 79 3.973 4.078 -0.105 1 1 874 . 6 1 1 A 101 101 GLN C C 79 178.990 178.468 0.522 1 1 875 . 6 1 1 A 101 101 GLN CA C 79 58.359 58.624 -0.265 1 1 876 . 6 1 1 A 101 101 GLN CB C 79 29.575 28.239 1.336 1 1 878 . 6 1 1 A 101 101 GLN N N 79 115.715 118.209 -2.494 1 1 879 . 6 1 1 A 102 102 ARG H H 80 7.835 7.903 -0.068 1 1 880 . 6 1 1 A 102 102 ARG HA H 80 3.990 4.005 -0.015 1 1 887 . 6 1 1 A 102 102 ARG C C 80 178.540 178.594 -0.054 1 1 888 . 6 1 1 A 102 102 ARG CA C 80 58.789 59.112 -0.323 1 1 889 . 6 1 1 A 102 102 ARG CB C 80 30.218 30.009 0.209 1 1 892 . 6 1 1 A 102 102 ARG N N 80 118.207 118.883 -0.676 1 1 893 . 6 1 1 A 103 103 MET H H 81 7.645 7.864 -0.219 1 1 894 . 6 1 1 A 103 103 MET HA H 81 4.353 4.367 -0.014 1 1 899 . 6 1 1 A 103 103 MET C C 81 176.300 175.635 0.665 1 1 900 . 6 1 1 A 103 103 MET CA C 81 55.646 56.501 -0.855 1 1 901 . 6 1 1 A 103 103 MET CB C 81 32.620 32.385 0.235 1 1 903 . 6 1 1 A 103 103 MET N N 81 116.250 115.733 0.517 1 1 904 . 6 1 1 A 104 104 ALA H H 82 7.324 7.506 -0.182 1 1 905 . 6 1 1 A 104 104 ALA HA H 82 4.386 4.576 -0.190 1 1 909 . 6 1 1 A 104 104 ALA CA C 82 51.004 50.683 0.321 1 1 910 . 6 1 1 A 104 104 ALA CB C 82 17.678 21.326 -3.648 1 1 911 . 6 1 1 A 104 104 ALA N N 82 123.602 121.440 2.162 1 1 912 . 6 1 1 A 106 106 SER HA H 84 4.610 4.490 0.120 1 1 915 . 6 1 1 A 106 106 SER C C 84 173.480 174.250 -0.770 1 1 916 . 6 1 1 A 106 106 SER CA C 84 58.041 58.657 -0.616 1 1 917 . 6 1 1 A 106 106 SER CB C 84 64.139 64.368 -0.229 1 1 918 . 6 1 1 A 107 107 GLU H H 85 7.443 7.505 -0.062 1 1 919 . 6 1 1 A 107 107 GLU HA H 85 4.640 4.348 0.292 1 1 924 . 6 1 1 A 107 107 GLU CA C 85 55.058 55.859 -0.801 1 1 925 . 6 1 1 A 107 107 GLU CB C 85 32.203 30.137 2.066 1 1 927 . 6 1 1 A 107 107 GLU N N 85 119.316 119.428 -0.112 1 1 928 . 6 1 1 A 108 108 SER HA H 86 4.549 4.783 -0.234 1 1 931 . 6 1 1 A 108 108 SER C C 86 174.220 174.143 0.077 1 1 932 . 6 1 1 A 108 108 SER CA C 86 57.291 57.423 -0.132 1 1 933 . 6 1 1 A 108 108 SER CB C 86 62.819 61.391 1.428 1 1 934 . 6 1 1 A 109 109 LEU H H 87 9.011 7.691 1.320 1 1 935 . 6 1 1 A 109 109 LEU HA H 87 4.606 3.927 0.679 1 1 945 . 6 1 1 A 109 109 LEU C C 87 176.720 176.590 0.130 1 1 946 . 6 1 1 A 109 109 LEU CA C 87 54.024 55.622 -1.598 1 1 947 . 6 1 1 A 109 109 LEU CB C 87 43.358 40.829 2.529 1 1 951 . 6 1 1 A 109 109 LEU N N 87 126.582 124.190 2.392 1 1 952 . 6 1 1 A 110 110 GLU H H 88 8.530 8.885 -0.355 1 1 953 . 6 1 1 A 110 110 GLU HA H 88 4.541 4.527 0.014 1 1 958 . 6 1 1 A 110 110 GLU C C 88 175.340 175.944 -0.604 1 1 959 . 6 1 1 A 110 110 GLU CA C 88 55.555 56.483 -0.928 1 1 960 . 6 1 1 A 110 110 GLU CB C 88 29.970 29.941 0.029 1 1 962 . 6 1 1 A 110 110 GLU N N 88 123.263 125.572 -2.309 1 1 963 . 6 1 1 A 111 111 ILE H H 89 8.842 8.422 0.420 1 1 964 . 6 1 1 A 111 111 ILE HA H 89 3.911 4.814 -0.903 1 1 974 . 6 1 1 A 111 111 ILE C C 89 173.250 174.166 -0.916 1 1 975 . 6 1 1 A 111 111 ILE CA C 89 61.207 59.146 2.061 1 1 976 . 6 1 1 A 111 111 ILE CB C 89 38.989 41.229 -2.240 1 1 980 . 6 1 1 A 111 111 ILE N N 89 128.558 121.770 6.788 1 1 981 . 6 1 1 A 112 112 ALA H H 90 8.651 8.603 0.048 1 1 982 . 6 1 1 A 112 112 ALA HA H 90 4.733 4.565 0.168 1 1 986 . 6 1 1 A 112 112 ALA C C 90 177.040 176.890 0.150 1 1 987 . 6 1 1 A 112 112 ALA CA C 90 50.598 50.752 -0.154 1 1 988 . 6 1 1 A 112 112 ALA CB C 90 21.517 19.589 1.928 1 1 989 . 6 1 1 A 112 112 ALA N N 90 131.215 127.191 4.024 1 1 990 . 6 1 1 A 113 113 TRP H H 91 9.084 8.380 0.704 1 1 991 . 6 1 1 A 113 113 TRP HA H 91 5.129 5.427 -0.298 1 1 996 . 6 1 1 A 113 113 TRP C C 91 176.725 176.109 0.616 1 1 997 . 6 1 1 A 113 113 TRP CA C 91 56.263 55.207 1.056 1 1 998 . 6 1 1 A 113 113 TRP CB C 91 31.282 31.216 0.066 1 1 999 . 6 1 1 A 113 113 TRP N N 91 125.391 124.602 0.789 1 1 1001 . 6 1 1 A 114 114 GLN H H 92 9.712 9.197 0.515 1 1 1002 . 6 1 1 A 114 114 GLN HA H 92 5.078 4.607 0.471 1 1 1007 . 6 1 1 A 114 114 GLN CA C 92 52.872 54.041 -1.169 1 1 1008 . 6 1 1 A 114 114 GLN CB C 92 30.288 28.278 2.010 1 1 1010 . 6 1 1 A 114 114 GLN N N 92 122.696 121.233 1.463 1 1 1011 . 6 1 1 A 115 115 PRO HA H 93 4.689 4.603 0.086 1 1 1018 . 6 1 1 A 115 115 PRO C C 93 176.690 177.253 -0.563 1 1 1019 . 6 1 1 A 115 115 PRO CA C 93 63.246 65.627 -2.381 1 1 1020 . 6 1 1 A 115 115 PRO CB C 93 32.152 31.878 0.274 1 1 1023 . 6 1 1 A 116 116 ALA H H 94 8.429 8.028 0.401 1 1 1024 . 6 1 1 A 116 116 ALA HA H 94 4.615 4.513 0.102 1 1 1028 . 6 1 1 A 116 116 ALA C C 94 177.230 175.994 1.236 1 1 1029 . 6 1 1 A 116 116 ALA CA C 94 51.966 54.634 -2.668 1 1 1030 . 6 1 1 A 116 116 ALA CB C 94 20.497 17.180 3.317 1 1 1031 . 6 1 1 A 116 116 ALA N N 94 125.566 119.147 6.419 1 1 1032 . 6 1 1 A 117 117 GLU H H 95 8.754 7.819 0.935 1 1 1033 . 6 1 1 A 117 117 GLU HA H 95 4.479 4.932 -0.453 1 1 1038 . 6 1 1 A 117 117 GLU CA C 95 56.146 54.935 1.211 1 1 1039 . 6 1 1 A 117 117 GLU CB C 95 30.856 33.027 -2.171 1 1 11 . 7 1 1 A 24 24 PHE H H 2 8.940 8.623 0.317 1 1 12 . 7 1 1 A 24 24 PHE HA H 2 4.540 5.052 -0.512 1 1 17 . 7 1 1 A 24 24 PHE C C 2 173.640 175.360 -1.720 1 1 18 . 7 1 1 A 24 24 PHE CA C 2 58.262 57.440 0.822 1 1 19 . 7 1 1 A 24 24 PHE CB C 2 40.639 41.836 -1.197 1 1 20 . 7 1 1 A 24 24 PHE N N 2 121.410 123.836 -2.426 1 1 21 . 7 1 1 A 25 25 ARG H H 3 8.559 8.840 -0.281 1 1 22 . 7 1 1 A 25 25 ARG HA H 3 5.932 5.109 0.823 1 1 29 . 7 1 1 A 25 25 ARG C C 3 175.870 174.261 1.609 1 1 30 . 7 1 1 A 25 25 ARG CA C 3 53.965 55.154 -1.189 1 1 31 . 7 1 1 A 25 25 ARG CB C 3 34.959 33.624 1.335 1 1 34 . 7 1 1 A 25 25 ARG N N 3 123.288 121.091 2.197 1 1 35 . 7 1 1 A 26 26 SER H H 4 9.096 8.961 0.135 1 1 36 . 7 1 1 A 26 26 SER HA H 4 5.306 5.553 -0.247 1 1 39 . 7 1 1 A 26 26 SER C C 4 173.230 172.813 0.417 1 1 40 . 7 1 1 A 26 26 SER CA C 4 56.908 56.380 0.528 1 1 41 . 7 1 1 A 26 26 SER CB C 4 66.846 66.671 0.175 1 1 42 . 7 1 1 A 26 26 SER N N 4 120.152 119.808 0.344 1 1 43 . 7 1 1 A 27 27 THR H H 5 8.889 8.924 -0.035 1 1 44 . 7 1 1 A 27 27 THR HA H 5 6.172 5.598 0.574 1 1 49 . 7 1 1 A 27 27 THR C C 5 173.740 172.826 0.914 1 1 50 . 7 1 1 A 27 27 THR CA C 5 59.621 60.802 -1.181 1 1 51 . 7 1 1 A 27 27 THR CB C 5 75.444 71.507 3.937 1 1 53 . 7 1 1 A 27 27 THR N N 5 112.196 114.747 -2.551 1 1 54 . 7 1 1 A 28 28 SER H H 6 8.945 9.001 -0.056 1 1 55 . 7 1 1 A 28 28 SER HA H 6 4.643 5.516 -0.873 1 1 58 . 7 1 1 A 28 28 SER C C 6 173.400 172.658 0.742 1 1 59 . 7 1 1 A 28 28 SER CA C 6 57.727 57.846 -0.119 1 1 60 . 7 1 1 A 28 28 SER CB C 6 65.115 65.128 -0.013 1 1 61 . 7 1 1 A 28 28 SER N N 6 115.468 121.924 -6.456 1 1 62 . 7 1 1 A 29 29 HIS H H 7 8.713 9.007 -0.294 1 1 63 . 7 1 1 A 29 29 HIS HA H 7 5.046 5.447 -0.401 1 1 67 . 7 1 1 A 29 29 HIS C C 7 175.330 173.740 1.590 1 1 68 . 7 1 1 A 29 29 HIS CA C 7 55.507 54.042 1.465 1 1 69 . 7 1 1 A 29 29 HIS CB C 7 31.214 32.768 -1.554 1 1 70 . 7 1 1 A 29 29 HIS N N 7 130.131 126.084 4.047 1 1 71 . 7 1 1 A 30 30 VAL H H 8 9.318 8.972 0.346 1 1 72 . 7 1 1 A 30 30 VAL HA H 8 4.431 4.747 -0.316 1 1 80 . 7 1 1 A 30 30 VAL C C 8 175.620 174.770 0.850 1 1 81 . 7 1 1 A 30 30 VAL CA C 8 61.142 60.298 0.844 1 1 82 . 7 1 1 A 30 30 VAL CB C 8 33.063 35.779 -2.716 1 1 85 . 7 1 1 A 30 30 VAL N N 8 128.679 126.541 2.138 1 1 86 . 7 1 1 A 31 31 ARG H H 9 9.212 8.610 0.602 1 1 87 . 7 1 1 A 31 31 ARG HA H 9 4.517 5.017 -0.500 1 1 94 . 7 1 1 A 31 31 ARG C C 9 176.520 175.922 0.598 1 1 95 . 7 1 1 A 31 31 ARG CA C 9 57.458 55.343 2.115 1 1 96 . 7 1 1 A 31 31 ARG CB C 9 29.842 30.744 -0.902 1 1 99 . 7 1 1 A 31 31 ARG N N 9 128.640 125.670 2.970 1 1 100 . 7 1 1 A 32 32 THR H H 10 7.941 8.936 -0.995 1 1 101 . 7 1 1 A 32 32 THR HA H 10 4.627 5.078 -0.451 1 1 105 . 7 1 1 A 32 32 THR C C 10 172.560 172.794 -0.234 1 1 106 . 7 1 1 A 32 32 THR CA C 10 61.473 59.957 1.516 1 1 107 . 7 1 1 A 32 32 THR CB C 10 66.191 73.135 -6.944 1 1 109 . 7 1 1 A 32 32 THR N N 10 120.036 118.882 1.154 1 1 110 . 7 1 1 A 33 33 GLU H H 11 9.022 8.972 0.050 1 1 111 . 7 1 1 A 33 33 GLU HA H 11 4.731 4.849 -0.118 1 1 116 . 7 1 1 A 33 33 GLU C C 11 177.810 176.852 0.958 1 1 117 . 7 1 1 A 33 33 GLU CA C 11 57.466 55.378 2.088 1 1 118 . 7 1 1 A 33 33 GLU CB C 11 30.044 31.766 -1.722 1 1 120 . 7 1 1 A 33 33 GLU N N 11 126.859 123.438 3.421 1 1 121 . 7 1 1 A 34 34 SER H H 12 8.930 9.271 -0.341 1 1 122 . 7 1 1 A 34 34 SER HA H 12 4.795 4.095 0.700 1 1 125 . 7 1 1 A 34 34 SER C C 12 173.360 174.453 -1.093 1 1 126 . 7 1 1 A 34 34 SER CA C 12 56.842 58.991 -2.149 1 1 127 . 7 1 1 A 34 34 SER CB C 12 63.756 62.581 1.175 1 1 128 . 7 1 1 A 34 34 SER N N 12 119.717 118.516 1.201 1 1 129 . 7 1 1 A 35 35 ALA H H 13 8.756 7.752 1.004 1 1 130 . 7 1 1 A 35 35 ALA HA H 13 3.542 3.818 -0.276 1 1 134 . 7 1 1 A 35 35 ALA C C 13 178.560 179.099 -0.539 1 1 135 . 7 1 1 A 35 35 ALA CA C 13 56.288 55.166 1.122 1 1 136 . 7 1 1 A 35 35 ALA CB C 13 21.558 18.758 2.800 1 1 137 . 7 1 1 A 35 35 ALA N N 13 121.856 122.659 -0.803 1 1 138 . 7 1 1 A 36 36 ALA H H 14 8.442 8.132 0.310 1 1 139 . 7 1 1 A 36 36 ALA HA H 14 3.691 4.256 -0.565 1 1 143 . 7 1 1 A 36 36 ALA C C 14 179.900 179.618 0.282 1 1 144 . 7 1 1 A 36 36 ALA CA C 14 55.754 54.778 0.976 1 1 145 . 7 1 1 A 36 36 ALA CB C 14 17.368 18.301 -0.933 1 1 146 . 7 1 1 A 36 36 ALA N N 14 117.191 119.329 -2.138 1 1 147 . 7 1 1 A 37 37 ARG H H 15 7.513 7.274 0.239 1 1 148 . 7 1 1 A 37 37 ARG HA H 15 4.097 4.080 0.017 1 1 155 . 7 1 1 A 37 37 ARG C C 15 178.720 178.578 0.142 1 1 156 . 7 1 1 A 37 37 ARG CA C 15 58.699 58.571 0.128 1 1 157 . 7 1 1 A 37 37 ARG CB C 15 30.024 29.910 0.114 1 1 160 . 7 1 1 A 37 37 ARG N N 15 118.952 118.721 0.231 1 1 161 . 7 1 1 A 38 38 TYR H H 16 7.632 7.891 -0.259 1 1 162 . 7 1 1 A 38 38 TYR HA H 16 4.433 4.331 0.102 1 1 166 . 7 1 1 A 38 38 TYR C C 16 178.110 178.376 -0.266 1 1 167 . 7 1 1 A 38 38 TYR CA C 16 58.473 61.047 -2.574 1 1 168 . 7 1 1 A 38 38 TYR CB C 16 36.286 37.819 -1.533 1 1 169 . 7 1 1 A 38 38 TYR N N 16 118.516 119.285 -0.769 1 1 170 . 7 1 1 A 39 39 VAL H H 17 8.680 7.555 1.125 1 1 171 . 7 1 1 A 39 39 VAL HA H 17 3.491 3.776 -0.285 1 1 179 . 7 1 1 A 39 39 VAL C C 17 177.450 178.354 -0.904 1 1 180 . 7 1 1 A 39 39 VAL CA C 17 68.093 66.306 1.787 1 1 181 . 7 1 1 A 39 39 VAL CB C 17 31.943 31.917 0.026 1 1 184 . 7 1 1 A 39 39 VAL N N 17 119.126 120.608 -1.482 1 1 185 . 7 1 1 A 40 40 ASN H H 18 7.813 8.020 -0.207 1 1 186 . 7 1 1 A 40 40 ASN HA H 18 4.280 4.501 -0.221 1 1 189 . 7 1 1 A 40 40 ASN C C 18 177.190 178.367 -1.177 1 1 190 . 7 1 1 A 40 40 ASN CA C 18 57.525 56.448 1.077 1 1 191 . 7 1 1 A 40 40 ASN CB C 18 39.474 37.812 1.662 1 1 192 . 7 1 1 A 40 40 ASN N N 18 118.013 117.601 0.412 1 1 193 . 7 1 1 A 41 41 ARG H H 19 8.425 8.127 0.298 1 1 194 . 7 1 1 A 41 41 ARG HA H 19 4.010 4.137 -0.127 1 1 201 . 7 1 1 A 41 41 ARG C C 19 180.050 179.042 1.008 1 1 202 . 7 1 1 A 41 41 ARG CA C 19 59.734 58.692 1.042 1 1 203 . 7 1 1 A 41 41 ARG CB C 19 30.877 29.866 1.011 1 1 206 . 7 1 1 A 41 41 ARG N N 19 116.687 120.839 -4.152 1 1 207 . 7 1 1 A 42 42 LEU H H 20 8.731 7.957 0.774 1 1 208 . 7 1 1 A 42 42 LEU HA H 20 3.904 4.014 -0.110 1 1 218 . 7 1 1 A 42 42 LEU C C 20 178.690 178.862 -0.172 1 1 219 . 7 1 1 A 42 42 LEU CA C 20 58.238 57.725 0.513 1 1 220 . 7 1 1 A 42 42 LEU CB C 20 41.659 41.765 -0.106 1 1 224 . 7 1 1 A 42 42 LEU N N 20 120.849 119.882 0.967 1 1 225 . 7 1 1 A 43 43 CYS H H 21 8.241 8.287 -0.046 1 1 226 . 7 1 1 A 43 43 CYS HA H 21 4.268 4.098 0.170 1 1 229 . 7 1 1 A 43 43 CYS C C 21 177.530 176.953 0.577 1 1 230 . 7 1 1 A 43 43 CYS CA C 21 65.374 63.522 1.852 1 1 231 . 7 1 1 A 43 43 CYS CB C 21 27.962 27.306 0.656 1 1 232 . 7 1 1 A 43 43 CYS N N 21 115.952 116.939 -0.987 1 1 233 . 7 1 1 A 44 44 LYS H H 22 8.364 7.784 0.580 1 1 234 . 7 1 1 A 44 44 LYS HA H 22 4.091 4.293 -0.202 1 1 243 . 7 1 1 A 44 44 LYS C C 22 179.020 178.682 0.338 1 1 244 . 7 1 1 A 44 44 LYS CA C 22 59.004 57.741 1.263 1 1 245 . 7 1 1 A 44 44 LYS CB C 22 31.921 32.560 -0.639 1 1 249 . 7 1 1 A 44 44 LYS N N 22 119.823 119.635 0.188 1 1 250 . 7 1 1 A 45 45 HIS H H 23 8.036 8.135 -0.099 1 1 251 . 7 1 1 A 45 45 HIS HA H 23 4.408 4.042 0.366 1 1 255 . 7 1 1 A 45 45 HIS C C 23 177.870 176.932 0.938 1 1 256 . 7 1 1 A 45 45 HIS CA C 23 60.404 59.207 1.197 1 1 257 . 7 1 1 A 45 45 HIS CB C 23 30.954 30.284 0.670 1 1 258 . 7 1 1 A 45 45 HIS N N 23 118.729 120.798 -2.069 1 1 259 . 7 1 1 A 46 46 TRP H H 24 8.426 8.414 0.012 1 1 260 . 7 1 1 A 46 46 TRP HA H 24 4.903 4.684 0.219 1 1 265 . 7 1 1 A 46 46 TRP C C 24 177.900 177.759 0.141 1 1 266 . 7 1 1 A 46 46 TRP CA C 24 58.973 59.420 -0.447 1 1 267 . 7 1 1 A 46 46 TRP CB C 24 29.328 29.376 -0.048 1 1 268 . 7 1 1 A 46 46 TRP N N 24 117.297 116.415 0.882 1 1 270 . 7 1 1 A 47 47 GLY H H 25 8.254 8.455 -0.201 1 1 271 . 7 1 1 A 47 47 GLY HA2 H 25 4.362 4.045 0.317 1 1 272 . 7 1 1 A 47 47 GLY HA3 H 25 3.936 4.111 -0.175 1 1 273 . 7 1 1 A 47 47 GLY CA C 25 46.812 47.465 -0.653 1 1 274 . 7 1 1 A 47 47 GLY N N 25 108.683 108.281 0.402 1 1 275 . 7 1 1 A 48 48 HIS C C 26 176.030 175.370 0.660 1 1 276 . 7 1 1 A 48 48 HIS CA C 26 58.358 57.535 0.823 1 1 277 . 7 1 1 A 48 48 HIS CB C 26 30.438 31.374 -0.936 1 1 278 . 7 1 1 A 49 49 LYS H H 27 7.544 7.951 -0.407 1 1 279 . 7 1 1 A 49 49 LYS HA H 27 4.236 4.328 -0.092 1 1 288 . 7 1 1 A 49 49 LYS C C 27 174.880 174.396 0.484 1 1 289 . 7 1 1 A 49 49 LYS CA C 27 56.572 55.237 1.335 1 1 290 . 7 1 1 A 49 49 LYS CB C 27 35.793 33.837 1.956 1 1 294 . 7 1 1 A 49 49 LYS N N 27 117.278 119.523 -2.245 1 1 295 . 7 1 1 A 50 50 PHE H H 28 8.178 7.721 0.457 1 1 296 . 7 1 1 A 50 50 PHE HA H 28 5.016 5.100 -0.084 1 1 301 . 7 1 1 A 50 50 PHE C C 28 174.190 174.644 -0.454 1 1 302 . 7 1 1 A 50 50 PHE CA C 28 55.756 56.281 -0.525 1 1 303 . 7 1 1 A 50 50 PHE CB C 28 41.140 43.530 -2.390 1 1 304 . 7 1 1 A 50 50 PHE N N 28 118.846 119.061 -0.215 1 1 305 . 7 1 1 A 51 51 GLU H H 29 7.812 8.483 -0.671 1 1 306 . 7 1 1 A 51 51 GLU HA H 29 4.449 4.613 -0.164 1 1 311 . 7 1 1 A 51 51 GLU C C 29 175.570 175.730 -0.160 1 1 312 . 7 1 1 A 51 51 GLU CA C 29 56.852 56.072 0.780 1 1 313 . 7 1 1 A 51 51 GLU CB C 29 30.207 29.336 0.871 1 1 315 . 7 1 1 A 51 51 GLU N N 29 120.355 120.936 -0.581 1 1 316 . 7 1 1 A 52 52 VAL H H 30 8.395 8.532 -0.137 1 1 317 . 7 1 1 A 52 52 VAL HA H 30 5.383 5.661 -0.278 1 1 325 . 7 1 1 A 52 52 VAL C C 30 175.850 175.023 0.827 1 1 326 . 7 1 1 A 52 52 VAL CA C 30 59.969 60.662 -0.693 1 1 327 . 7 1 1 A 52 52 VAL CB C 30 36.173 34.078 2.095 1 1 330 . 7 1 1 A 52 52 VAL N N 30 124.120 120.933 3.187 1 1 331 . 7 1 1 A 53 53 GLU H H 31 9.289 9.277 0.012 1 1 332 . 7 1 1 A 53 53 GLU HA H 31 4.717 5.124 -0.407 1 1 337 . 7 1 1 A 53 53 GLU C C 31 174.370 175.389 -1.019 1 1 338 . 7 1 1 A 53 53 GLU CA C 31 55.415 55.556 -0.141 1 1 339 . 7 1 1 A 53 53 GLU CB C 31 33.211 32.110 1.101 1 1 341 . 7 1 1 A 53 53 GLU N N 31 126.346 126.528 -0.182 1 1 342 . 7 1 1 A 54 54 LEU H H 32 8.763 8.856 -0.093 1 1 343 . 7 1 1 A 54 54 LEU HA H 32 5.375 5.077 0.298 1 1 353 . 7 1 1 A 54 54 LEU C C 32 175.100 175.256 -0.156 1 1 354 . 7 1 1 A 54 54 LEU CA C 32 55.010 54.039 0.971 1 1 355 . 7 1 1 A 54 54 LEU CB C 32 45.485 45.151 0.334 1 1 359 . 7 1 1 A 54 54 LEU N N 32 126.898 124.894 2.004 1 1 360 . 7 1 1 A 55 55 THR H H 33 9.159 8.432 0.727 1 1 361 . 7 1 1 A 55 55 THR HA H 33 4.886 5.013 -0.127 1 1 366 . 7 1 1 A 55 55 THR CA C 33 59.489 58.373 1.116 1 1 367 . 7 1 1 A 55 55 THR CB C 33 69.241 69.851 -0.610 1 1 369 . 7 1 1 A 55 55 THR N N 33 121.246 117.737 3.509 1 1 370 . 7 1 1 A 56 56 PRO HA H 34 4.269 4.607 -0.338 1 1 377 . 7 1 1 A 56 56 PRO C C 34 177.750 175.491 2.259 1 1 378 . 7 1 1 A 56 56 PRO CA C 34 65.968 62.802 3.166 1 1 379 . 7 1 1 A 56 56 PRO CB C 34 31.786 29.532 2.254 1 1 382 . 7 1 1 A 57 57 GLU H H 35 8.148 8.806 -0.658 1 1 383 . 7 1 1 A 57 57 GLU HA H 35 4.351 4.535 -0.184 1 1 388 . 7 1 1 A 57 57 GLU C C 35 175.720 175.786 -0.066 1 1 389 . 7 1 1 A 57 57 GLU CA C 35 57.085 56.776 0.309 1 1 390 . 7 1 1 A 57 57 GLU CB C 35 30.299 32.259 -1.960 1 1 392 . 7 1 1 A 57 57 GLU N N 35 112.303 120.427 -8.124 1 1 393 . 7 1 1 A 58 58 ARG H H 36 7.777 7.552 0.225 1 1 394 . 7 1 1 A 58 58 ARG HA H 36 5.418 5.238 0.180 1 1 401 . 7 1 1 A 58 58 ARG C C 36 173.610 173.886 -0.276 1 1 402 . 7 1 1 A 58 58 ARG CA C 36 55.576 55.008 0.568 1 1 403 . 7 1 1 A 58 58 ARG CB C 36 33.324 32.622 0.702 1 1 406 . 7 1 1 A 58 58 ARG N N 36 122.018 114.707 7.311 1 1 407 . 7 1 1 A 59 59 GLY H H 37 9.650 8.605 1.045 1 1 408 . 7 1 1 A 59 59 GLY HA2 H 37 5.484 4.334 1.150 1 1 409 . 7 1 1 A 59 59 GLY HA3 H 37 3.554 4.338 -0.784 1 1 410 . 7 1 1 A 59 59 GLY C C 37 171.630 172.046 -0.416 1 1 411 . 7 1 1 A 59 59 GLY CA C 37 44.563 44.138 0.425 1 1 412 . 7 1 1 A 59 59 GLY N N 37 113.745 106.883 6.862 1 1 413 . 7 1 1 A 60 60 PHE H H 38 9.138 8.782 0.356 1 1 414 . 7 1 1 A 60 60 PHE HA H 38 5.472 5.295 0.177 1 1 419 . 7 1 1 A 60 60 PHE C C 38 173.180 173.874 -0.694 1 1 420 . 7 1 1 A 60 60 PHE CA C 38 57.234 56.112 1.122 1 1 421 . 7 1 1 A 60 60 PHE CB C 38 43.107 42.333 0.774 1 1 422 . 7 1 1 A 60 60 PHE N N 38 124.144 122.948 1.196 1 1 423 . 7 1 1 A 61 61 ILE H H 39 8.618 8.375 0.243 1 1 424 . 7 1 1 A 61 61 ILE HA H 39 4.226 4.939 -0.713 1 1 434 . 7 1 1 A 61 61 ILE C C 39 172.950 173.698 -0.748 1 1 435 . 7 1 1 A 61 61 ILE CA C 39 60.357 60.226 0.131 1 1 436 . 7 1 1 A 61 61 ILE CB C 39 41.488 40.804 0.684 1 1 440 . 7 1 1 A 61 61 ILE N N 39 126.753 126.666 0.087 1 1 441 . 7 1 1 A 62 62 ASP H H 40 8.192 8.314 -0.122 1 1 442 . 7 1 1 A 62 62 ASP HA H 40 4.464 4.758 -0.294 1 1 445 . 7 1 1 A 62 62 ASP C C 40 176.240 176.479 -0.239 1 1 446 . 7 1 1 A 62 62 ASP CA C 40 52.208 52.331 -0.123 1 1 447 . 7 1 1 A 62 62 ASP CB C 40 41.489 42.053 -0.564 1 1 448 . 7 1 1 A 62 62 ASP N N 40 124.314 128.090 -3.776 1 1 449 . 7 1 1 A 63 63 PHE H H 41 8.165 9.050 -0.885 1 1 450 . 7 1 1 A 63 63 PHE HA H 41 4.007 4.388 -0.381 1 1 454 . 7 1 1 A 63 63 PHE C C 41 175.640 175.714 -0.074 1 1 455 . 7 1 1 A 63 63 PHE CA C 41 58.407 60.142 -1.735 1 1 456 . 7 1 1 A 63 63 PHE CB C 41 38.486 40.150 -1.664 1 1 457 . 7 1 1 A 63 63 PHE N N 41 123.395 126.756 -3.361 1 1 458 . 7 1 1 A 64 64 GLY H H 42 9.003 7.651 1.352 1 1 459 . 7 1 1 A 64 64 GLY HA2 H 42 4.675 4.108 0.567 1 1 460 . 7 1 1 A 64 64 GLY HA3 H 42 3.484 4.141 -0.657 1 1 461 . 7 1 1 A 64 64 GLY CA C 42 45.938 45.894 0.044 1 1 462 . 7 1 1 A 64 64 GLY N N 42 112.196 107.100 5.096 1 1 463 . 7 1 1 A 65 65 ASP HA H 43 4.675 4.781 -0.106 1 1 466 . 7 1 1 A 65 65 ASP C C 43 176.170 174.958 1.212 1 1 467 . 7 1 1 A 65 65 ASP CA C 43 55.415 53.000 2.415 1 1 468 . 7 1 1 A 65 65 ASP CB C 43 41.379 38.989 2.390 1 1 469 . 7 1 1 A 66 66 SER H H 44 7.743 7.908 -0.165 1 1 470 . 7 1 1 A 66 66 SER HA H 44 5.292 5.079 0.213 1 1 473 . 7 1 1 A 66 66 SER C C 44 172.190 172.224 -0.034 1 1 474 . 7 1 1 A 66 66 SER CA C 44 57.890 56.681 1.209 1 1 475 . 7 1 1 A 66 66 SER CB C 44 66.054 64.810 1.244 1 1 476 . 7 1 1 A 66 66 SER N N 44 112.796 117.776 -4.980 1 1 477 . 7 1 1 A 67 67 ASN H H 45 9.075 8.783 0.292 1 1 478 . 7 1 1 A 67 67 ASN HA H 45 5.126 5.151 -0.025 1 1 481 . 7 1 1 A 67 67 ASN C C 45 172.300 173.385 -1.085 1 1 482 . 7 1 1 A 67 67 ASN CA C 45 52.997 52.444 0.553 1 1 483 . 7 1 1 A 67 67 ASN CB C 45 42.047 42.420 -0.373 1 1 484 . 7 1 1 A 67 67 ASN N N 45 114.955 119.978 -5.023 1 1 485 . 7 1 1 A 68 68 CYS H H 46 8.757 8.316 0.441 1 1 486 . 7 1 1 A 68 68 CYS HA H 46 5.652 4.971 0.681 1 1 489 . 7 1 1 A 68 68 CYS C C 46 170.650 173.005 -2.355 1 1 490 . 7 1 1 A 68 68 CYS CA C 46 56.668 58.348 -1.680 1 1 491 . 7 1 1 A 68 68 CYS CB C 46 31.195 29.394 1.801 1 1 492 . 7 1 1 A 68 68 CYS N N 46 119.184 119.618 -0.434 1 1 493 . 7 1 1 A 69 69 GLU H H 47 9.587 9.400 0.187 1 1 494 . 7 1 1 A 69 69 GLU HA H 47 5.283 5.668 -0.385 1 1 499 . 7 1 1 A 69 69 GLU C C 47 174.190 175.092 -0.902 1 1 500 . 7 1 1 A 69 69 GLU CA C 47 54.401 55.537 -1.136 1 1 501 . 7 1 1 A 69 69 GLU CB C 47 33.607 32.956 0.651 1 1 503 . 7 1 1 A 69 69 GLU N N 47 131.612 128.772 2.840 1 1 504 . 7 1 1 A 70 70 LEU H H 48 9.523 8.622 0.901 1 1 505 . 7 1 1 A 70 70 LEU HA H 48 5.314 5.314 0.000 1 1 515 . 7 1 1 A 70 70 LEU C C 48 174.730 175.054 -0.324 1 1 516 . 7 1 1 A 70 70 LEU CA C 48 53.570 53.259 0.311 1 1 517 . 7 1 1 A 70 70 LEU CB C 48 46.109 45.089 1.020 1 1 521 . 7 1 1 A 70 70 LEU N N 48 125.069 121.986 3.083 1 1 522 . 7 1 1 A 71 71 LEU H H 49 9.493 9.447 0.046 1 1 523 . 7 1 1 A 71 71 LEU HA H 49 5.001 5.213 -0.212 1 1 533 . 7 1 1 A 71 71 LEU C C 49 175.310 175.039 0.271 1 1 534 . 7 1 1 A 71 71 LEU CA C 49 53.809 53.820 -0.011 1 1 535 . 7 1 1 A 71 71 LEU CB C 49 42.880 44.221 -1.341 1 1 539 . 7 1 1 A 71 71 LEU N N 49 123.714 126.109 -2.395 1 1 540 . 7 1 1 A 72 72 ALA H H 50 8.255 8.641 -0.386 1 1 541 . 7 1 1 A 72 72 ALA HA H 50 4.307 5.162 -0.855 1 1 545 . 7 1 1 A 72 72 ALA C C 50 174.800 175.322 -0.522 1 1 546 . 7 1 1 A 72 72 ALA CA C 50 51.618 51.345 0.273 1 1 547 . 7 1 1 A 72 72 ALA CB C 50 18.634 21.436 -2.802 1 1 548 . 7 1 1 A 72 72 ALA N N 50 125.398 128.338 -2.940 1 1 549 . 7 1 1 A 73 73 HIS H H 51 8.053 9.418 -1.365 1 1 550 . 7 1 1 A 73 73 HIS HA H 51 4.953 4.961 -0.008 1 1 554 . 7 1 1 A 73 73 HIS CA C 51 54.682 53.897 0.785 1 1 555 . 7 1 1 A 73 73 HIS CB C 51 31.150 32.148 -0.998 1 1 556 . 7 1 1 A 73 73 HIS N N 51 123.172 124.128 -0.956 1 1 557 . 7 1 1 A 74 74 PRO HA H 52 4.385 4.127 0.258 1 1 564 . 7 1 1 A 74 74 PRO C C 52 176.370 176.886 -0.516 1 1 565 . 7 1 1 A 74 74 PRO CA C 52 65.625 64.980 0.645 1 1 566 . 7 1 1 A 74 74 PRO CB C 52 32.014 31.918 0.096 1 1 569 . 7 1 1 A 75 75 ASP H H 53 8.303 8.196 0.107 1 1 570 . 7 1 1 A 75 75 ASP HA H 53 4.955 5.389 -0.434 1 1 573 . 7 1 1 A 75 75 ASP C C 53 177.380 175.203 2.177 1 1 574 . 7 1 1 A 75 75 ASP CA C 53 52.034 53.382 -1.348 1 1 575 . 7 1 1 A 75 75 ASP CB C 53 41.826 43.131 -1.305 1 1 576 . 7 1 1 A 75 75 ASP N N 53 109.961 116.727 -6.766 1 1 577 . 7 1 1 A 76 76 HIS H H 54 7.379 7.586 -0.207 1 1 578 . 7 1 1 A 76 76 HIS HA H 54 5.421 5.508 -0.087 1 1 582 . 7 1 1 A 76 76 HIS C C 54 172.470 172.866 -0.396 1 1 583 . 7 1 1 A 76 76 HIS CA C 54 56.943 54.336 2.607 1 1 584 . 7 1 1 A 76 76 HIS CB C 54 29.909 34.111 -4.202 1 1 585 . 7 1 1 A 76 76 HIS N N 54 114.752 116.087 -1.335 1 1 586 . 7 1 1 A 77 77 VAL H H 55 8.933 8.672 0.261 1 1 587 . 7 1 1 A 77 77 VAL HA H 55 4.837 5.130 -0.293 1 1 595 . 7 1 1 A 77 77 VAL C C 55 173.420 173.937 -0.517 1 1 596 . 7 1 1 A 77 77 VAL CA C 55 59.429 59.885 -0.456 1 1 597 . 7 1 1 A 77 77 VAL CB C 55 35.121 35.610 -0.489 1 1 600 . 7 1 1 A 77 77 VAL N N 55 117.287 119.729 -2.442 1 1 601 . 7 1 1 A 78 78 LEU H H 56 9.004 9.731 -0.727 1 1 602 . 7 1 1 A 78 78 LEU HA H 56 5.466 5.323 0.143 1 1 612 . 7 1 1 A 78 78 LEU C C 56 175.140 175.628 -0.488 1 1 613 . 7 1 1 A 78 78 LEU CA C 56 53.084 53.780 -0.696 1 1 614 . 7 1 1 A 78 78 LEU CB C 56 44.499 45.474 -0.975 1 1 618 . 7 1 1 A 78 78 LEU N N 56 130.334 128.079 2.255 1 1 619 . 7 1 1 A 79 79 MET H H 57 9.381 8.819 0.562 1 1 620 . 7 1 1 A 79 79 MET HA H 57 5.678 5.258 0.420 1 1 625 . 7 1 1 A 79 79 MET C C 57 175.160 174.693 0.467 1 1 626 . 7 1 1 A 79 79 MET CA C 57 54.216 54.408 -0.192 1 1 627 . 7 1 1 A 79 79 MET CB C 57 37.309 35.172 2.137 1 1 629 . 7 1 1 A 79 79 MET N N 57 124.304 122.352 1.952 1 1 630 . 7 1 1 A 80 80 ILE H H 58 9.552 8.874 0.678 1 1 631 . 7 1 1 A 80 80 ILE HA H 58 4.957 5.138 -0.181 1 1 641 . 7 1 1 A 80 80 ILE C C 58 175.160 175.531 -0.371 1 1 642 . 7 1 1 A 80 80 ILE CA C 58 61.338 59.919 1.419 1 1 643 . 7 1 1 A 80 80 ILE CB C 58 41.092 41.474 -0.382 1 1 647 . 7 1 1 A 80 80 ILE N N 58 122.359 124.818 -2.459 1 1 648 . 7 1 1 A 81 81 LEU H H 59 9.549 9.110 0.439 1 1 649 . 7 1 1 A 81 81 LEU HA H 59 5.274 5.218 0.056 1 1 659 . 7 1 1 A 81 81 LEU C C 59 174.280 175.415 -1.135 1 1 660 . 7 1 1 A 81 81 LEU CA C 59 53.621 52.624 0.997 1 1 661 . 7 1 1 A 81 81 LEU CB C 59 46.837 45.619 1.218 1 1 665 . 7 1 1 A 81 81 LEU N N 59 131.901 125.102 6.799 1 1 666 . 7 1 1 A 82 82 ASN H H 60 8.516 8.544 -0.028 1 1 667 . 7 1 1 A 82 82 ASN HA H 60 5.851 5.440 0.411 1 1 670 . 7 1 1 A 82 82 ASN C C 60 174.840 174.032 0.808 1 1 671 . 7 1 1 A 82 82 ASN CA C 60 52.549 52.154 0.395 1 1 672 . 7 1 1 A 82 82 ASN CB C 60 43.188 39.720 3.468 1 1 673 . 7 1 1 A 82 82 ASN N N 60 120.142 119.463 0.679 1 1 674 . 7 1 1 A 83 83 SER H H 61 9.176 8.364 0.812 1 1 675 . 7 1 1 A 83 83 SER HA H 61 5.295 4.852 0.443 1 1 678 . 7 1 1 A 83 83 SER CA C 61 57.388 55.591 1.797 1 1 679 . 7 1 1 A 83 83 SER CB C 61 68.052 66.199 1.853 1 1 680 . 7 1 1 A 83 83 SER N N 61 116.871 119.406 -2.535 1 1 681 . 7 1 1 A 84 84 PRO HA H 62 4.907 4.062 0.845 1 1 688 . 7 1 1 A 84 84 PRO C C 62 175.210 174.681 0.529 1 1 689 . 7 1 1 A 84 84 PRO CA C 62 64.539 63.605 0.934 1 1 690 . 7 1 1 A 84 84 PRO CB C 62 32.726 31.784 0.942 1 1 693 . 7 1 1 A 85 85 ASP H H 63 7.228 7.274 -0.046 1 1 694 . 7 1 1 A 85 85 ASP HA H 63 4.630 5.185 -0.555 1 1 697 . 7 1 1 A 85 85 ASP C C 63 174.540 176.172 -1.632 1 1 698 . 7 1 1 A 85 85 ASP CA C 63 53.119 52.789 0.330 1 1 699 . 7 1 1 A 85 85 ASP CB C 63 42.880 43.740 -0.860 1 1 700 . 7 1 1 A 85 85 ASP N N 63 112.313 114.456 -2.143 1 1 701 . 7 1 1 A 86 86 GLU H H 64 8.761 9.250 -0.489 1 1 702 . 7 1 1 A 86 86 GLU HA H 64 3.321 4.123 -0.802 1 1 707 . 7 1 1 A 86 86 GLU C C 64 178.440 177.778 0.662 1 1 708 . 7 1 1 A 86 86 GLU CA C 64 59.937 59.874 0.063 1 1 709 . 7 1 1 A 86 86 GLU CB C 64 29.707 29.824 -0.117 1 1 711 . 7 1 1 A 86 86 GLU N N 64 120.055 121.019 -0.964 1 1 712 . 7 1 1 A 87 87 ASP H H 65 8.332 8.420 -0.088 1 1 713 . 7 1 1 A 87 87 ASP HA H 65 4.414 4.295 0.119 1 1 716 . 7 1 1 A 87 87 ASP C C 65 179.400 178.055 1.345 1 1 717 . 7 1 1 A 87 87 ASP CA C 65 57.203 57.623 -0.420 1 1 718 . 7 1 1 A 87 87 ASP CB C 65 40.323 41.306 -0.983 1 1 719 . 7 1 1 A 87 87 ASP N N 65 121.933 119.862 2.071 1 1 720 . 7 1 1 A 88 88 SER H H 66 8.949 8.139 0.810 1 1 721 . 7 1 1 A 88 88 SER HA H 66 4.169 4.178 -0.009 1 1 724 . 7 1 1 A 88 88 SER C C 66 176.110 177.048 -0.938 1 1 725 . 7 1 1 A 88 88 SER CA C 66 62.032 61.625 0.407 1 1 726 . 7 1 1 A 88 88 SER CB C 66 62.178 63.099 -0.921 1 1 727 . 7 1 1 A 88 88 SER N N 66 119.726 113.810 5.916 1 1 728 . 7 1 1 A 89 89 LEU H H 67 7.737 8.751 -1.014 1 1 729 . 7 1 1 A 89 89 LEU HA H 67 4.017 4.473 -0.456 1 1 739 . 7 1 1 A 89 89 LEU C C 67 177.790 178.142 -0.352 1 1 740 . 7 1 1 A 89 89 LEU CA C 67 57.958 58.380 -0.422 1 1 741 . 7 1 1 A 89 89 LEU CB C 67 42.394 42.268 0.126 1 1 745 . 7 1 1 A 89 89 LEU N N 67 122.942 122.269 0.673 1 1 746 . 7 1 1 A 90 90 ALA H H 68 7.483 9.296 -1.813 1 1 747 . 7 1 1 A 90 90 ALA HA H 68 3.780 3.986 -0.206 1 1 751 . 7 1 1 A 90 90 ALA C C 68 180.410 179.323 1.087 1 1 752 . 7 1 1 A 90 90 ALA CA C 68 54.782 54.669 0.113 1 1 753 . 7 1 1 A 90 90 ALA CB C 68 17.857 18.382 -0.525 1 1 754 . 7 1 1 A 90 90 ALA N N 68 119.446 120.242 -0.796 1 1 755 . 7 1 1 A 91 91 HIS H H 69 7.707 8.118 -0.411 1 1 756 . 7 1 1 A 91 91 HIS HA H 69 4.377 3.976 0.401 1 1 760 . 7 1 1 A 91 91 HIS C C 69 177.865 177.089 0.776 1 1 761 . 7 1 1 A 91 91 HIS CA C 69 59.518 59.497 0.021 1 1 762 . 7 1 1 A 91 91 HIS CB C 69 30.954 29.454 1.500 1 1 763 . 7 1 1 A 91 91 HIS N N 69 116.881 117.572 -0.691 1 1 764 . 7 1 1 A 92 92 MET H H 70 8.467 8.189 0.278 1 1 765 . 7 1 1 A 92 92 MET HA H 70 4.087 3.955 0.132 1 1 770 . 7 1 1 A 92 92 MET C C 70 178.390 178.076 0.314 1 1 771 . 7 1 1 A 92 92 MET CA C 70 55.584 58.739 -3.155 1 1 772 . 7 1 1 A 92 92 MET CB C 70 29.773 33.240 -3.467 1 1 774 . 7 1 1 A 92 92 MET N N 70 116.968 116.722 0.246 1 1 775 . 7 1 1 A 93 93 GLN H H 71 8.309 8.247 0.062 1 1 776 . 7 1 1 A 93 93 GLN HA H 71 2.874 4.029 -1.155 1 1 781 . 7 1 1 A 93 93 GLN C C 71 178.420 178.152 0.268 1 1 782 . 7 1 1 A 93 93 GLN CA C 71 58.852 58.539 0.313 1 1 783 . 7 1 1 A 93 93 GLN CB C 71 27.658 27.908 -0.250 1 1 785 . 7 1 1 A 93 93 GLN N N 71 120.665 117.074 3.591 1 1 786 . 7 1 1 A 94 94 ASN H H 72 6.899 8.151 -1.252 1 1 787 . 7 1 1 A 94 94 ASN HA H 72 4.596 4.436 0.160 1 1 790 . 7 1 1 A 94 94 ASN C C 72 177.380 177.422 -0.042 1 1 791 . 7 1 1 A 94 94 ASN CA C 72 56.037 55.802 0.235 1 1 792 . 7 1 1 A 94 94 ASN CB C 72 38.219 38.530 -0.311 1 1 793 . 7 1 1 A 94 94 ASN N N 72 116.271 118.950 -2.679 1 1 794 . 7 1 1 A 95 95 VAL H H 73 8.050 7.606 0.444 1 1 795 . 7 1 1 A 95 95 VAL HA H 73 3.983 3.481 0.502 1 1 803 . 7 1 1 A 95 95 VAL C C 73 180.050 178.199 1.851 1 1 804 . 7 1 1 A 95 95 VAL CA C 73 66.515 66.218 0.297 1 1 805 . 7 1 1 A 95 95 VAL CB C 73 32.587 31.332 1.255 1 1 808 . 7 1 1 A 95 95 VAL N N 73 121.798 119.652 2.146 1 1 809 . 7 1 1 A 96 96 VAL H H 74 9.082 7.691 1.391 1 1 810 . 7 1 1 A 96 96 VAL HA H 74 3.986 2.886 1.100 1 1 818 . 7 1 1 A 96 96 VAL C C 74 177.490 177.953 -0.463 1 1 819 . 7 1 1 A 96 96 VAL CA C 74 67.947 66.095 1.852 1 1 820 . 7 1 1 A 96 96 VAL CB C 74 31.966 31.292 0.674 1 1 823 . 7 1 1 A 96 96 VAL N N 74 120.549 120.617 -0.068 1 1 824 . 7 1 1 A 97 97 ALA H H 75 8.285 7.747 0.538 1 1 825 . 7 1 1 A 97 97 ALA HA H 75 4.108 3.984 0.124 1 1 829 . 7 1 1 A 97 97 ALA C C 75 179.320 179.352 -0.032 1 1 830 . 7 1 1 A 97 97 ALA CA C 75 56.117 54.901 1.216 1 1 831 . 7 1 1 A 97 97 ALA CB C 75 19.867 18.453 1.414 1 1 832 . 7 1 1 A 97 97 ALA N N 75 120.375 121.709 -1.334 1 1 833 . 7 1 1 A 98 98 ASP H H 76 8.522 7.626 0.896 1 1 834 . 7 1 1 A 98 98 ASP HA H 76 4.356 4.396 -0.040 1 1 837 . 7 1 1 A 98 98 ASP C C 76 179.100 178.788 0.312 1 1 838 . 7 1 1 A 98 98 ASP CA C 76 57.252 57.448 -0.196 1 1 839 . 7 1 1 A 98 98 ASP CB C 76 41.335 40.982 0.353 1 1 840 . 7 1 1 A 98 98 ASP N N 76 116.871 118.853 -1.982 1 1 841 . 7 1 1 A 99 99 HIS H H 77 8.162 7.742 0.420 1 1 842 . 7 1 1 A 99 99 HIS HA H 77 3.847 4.358 -0.511 1 1 846 . 7 1 1 A 99 99 HIS C C 77 177.440 178.020 -0.580 1 1 847 . 7 1 1 A 99 99 HIS CA C 77 61.636 59.465 2.171 1 1 848 . 7 1 1 A 99 99 HIS CB C 77 29.328 29.956 -0.628 1 1 849 . 7 1 1 A 99 99 HIS N N 77 116.758 118.526 -1.768 1 1 850 . 7 1 1 A 100 100 LEU H H 78 8.718 8.380 0.338 1 1 851 . 7 1 1 A 100 100 LEU HA H 78 3.862 3.971 -0.109 1 1 861 . 7 1 1 A 100 100 LEU C C 78 177.720 179.563 -1.843 1 1 862 . 7 1 1 A 100 100 LEU CA C 78 58.746 57.398 1.348 1 1 863 . 7 1 1 A 100 100 LEU CB C 78 40.324 41.120 -0.796 1 1 867 . 7 1 1 A 100 100 LEU N N 78 120.332 119.328 1.004 1 1 868 . 7 1 1 A 101 101 GLN H H 79 8.167 8.212 -0.045 1 1 869 . 7 1 1 A 101 101 GLN HA H 79 3.973 4.029 -0.056 1 1 874 . 7 1 1 A 101 101 GLN C C 79 178.990 178.569 0.421 1 1 875 . 7 1 1 A 101 101 GLN CA C 79 58.359 58.868 -0.509 1 1 876 . 7 1 1 A 101 101 GLN CB C 79 29.575 28.605 0.970 1 1 878 . 7 1 1 A 101 101 GLN N N 79 115.715 120.132 -4.417 1 1 879 . 7 1 1 A 102 102 ARG H H 80 7.835 7.753 0.082 1 1 880 . 7 1 1 A 102 102 ARG HA H 80 3.990 3.992 -0.002 1 1 887 . 7 1 1 A 102 102 ARG C C 80 178.540 178.444 0.096 1 1 888 . 7 1 1 A 102 102 ARG CA C 80 58.789 58.983 -0.194 1 1 889 . 7 1 1 A 102 102 ARG CB C 80 30.218 29.878 0.340 1 1 892 . 7 1 1 A 102 102 ARG N N 80 118.207 120.758 -2.551 1 1 893 . 7 1 1 A 103 103 MET H H 81 7.645 8.082 -0.437 1 1 894 . 7 1 1 A 103 103 MET HA H 81 4.353 4.121 0.232 1 1 899 . 7 1 1 A 103 103 MET C C 81 176.300 175.962 0.338 1 1 900 . 7 1 1 A 103 103 MET CA C 81 55.646 56.627 -0.981 1 1 901 . 7 1 1 A 103 103 MET CB C 81 32.620 31.808 0.812 1 1 903 . 7 1 1 A 103 103 MET N N 81 116.250 115.207 1.043 1 1 904 . 7 1 1 A 104 104 ALA H H 82 7.324 7.844 -0.520 1 1 905 . 7 1 1 A 104 104 ALA HA H 82 4.386 4.641 -0.255 1 1 909 . 7 1 1 A 104 104 ALA CA C 82 51.004 51.133 -0.129 1 1 910 . 7 1 1 A 104 104 ALA CB C 82 17.678 20.107 -2.429 1 1 911 . 7 1 1 A 104 104 ALA N N 82 123.602 122.184 1.418 1 1 912 . 7 1 1 A 106 106 SER HA H 84 4.610 4.605 0.005 1 1 915 . 7 1 1 A 106 106 SER C C 84 173.480 173.441 0.039 1 1 916 . 7 1 1 A 106 106 SER CA C 84 58.041 59.273 -1.232 1 1 917 . 7 1 1 A 106 106 SER CB C 84 64.139 65.867 -1.728 1 1 918 . 7 1 1 A 107 107 GLU H H 85 7.443 7.926 -0.483 1 1 919 . 7 1 1 A 107 107 GLU HA H 85 4.640 4.722 -0.082 1 1 924 . 7 1 1 A 107 107 GLU CA C 85 55.058 55.096 -0.038 1 1 925 . 7 1 1 A 107 107 GLU CB C 85 32.203 32.380 -0.177 1 1 927 . 7 1 1 A 107 107 GLU N N 85 119.316 117.336 1.980 1 1 928 . 7 1 1 A 108 108 SER HA H 86 4.549 4.899 -0.350 1 1 931 . 7 1 1 A 108 108 SER C C 86 174.220 173.957 0.263 1 1 932 . 7 1 1 A 108 108 SER CA C 86 57.291 57.943 -0.652 1 1 933 . 7 1 1 A 108 108 SER CB C 86 62.819 61.384 1.435 1 1 934 . 7 1 1 A 109 109 LEU H H 87 9.011 8.498 0.513 1 1 935 . 7 1 1 A 109 109 LEU HA H 87 4.606 3.956 0.650 1 1 945 . 7 1 1 A 109 109 LEU C C 87 176.720 176.570 0.150 1 1 946 . 7 1 1 A 109 109 LEU CA C 87 54.024 55.656 -1.632 1 1 947 . 7 1 1 A 109 109 LEU CB C 87 43.358 40.828 2.530 1 1 951 . 7 1 1 A 109 109 LEU N N 87 126.582 122.154 4.428 1 1 952 . 7 1 1 A 110 110 GLU H H 88 8.530 8.937 -0.407 1 1 953 . 7 1 1 A 110 110 GLU HA H 88 4.541 4.561 -0.020 1 1 958 . 7 1 1 A 110 110 GLU C C 88 175.340 175.996 -0.656 1 1 959 . 7 1 1 A 110 110 GLU CA C 88 55.555 56.437 -0.882 1 1 960 . 7 1 1 A 110 110 GLU CB C 88 29.970 29.961 0.009 1 1 962 . 7 1 1 A 110 110 GLU N N 88 123.263 125.913 -2.650 1 1 963 . 7 1 1 A 111 111 ILE H H 89 8.842 8.512 0.330 1 1 964 . 7 1 1 A 111 111 ILE HA H 89 3.911 4.970 -1.059 1 1 974 . 7 1 1 A 111 111 ILE C C 89 173.250 173.988 -0.738 1 1 975 . 7 1 1 A 111 111 ILE CA C 89 61.207 59.266 1.941 1 1 976 . 7 1 1 A 111 111 ILE CB C 89 38.989 41.252 -2.263 1 1 980 . 7 1 1 A 111 111 ILE N N 89 128.558 121.835 6.723 1 1 981 . 7 1 1 A 112 112 ALA H H 90 8.651 8.884 -0.233 1 1 982 . 7 1 1 A 112 112 ALA HA H 90 4.733 4.845 -0.112 1 1 986 . 7 1 1 A 112 112 ALA C C 90 177.040 176.677 0.363 1 1 987 . 7 1 1 A 112 112 ALA CA C 90 50.598 50.219 0.379 1 1 988 . 7 1 1 A 112 112 ALA CB C 90 21.517 20.032 1.485 1 1 989 . 7 1 1 A 112 112 ALA N N 90 131.215 128.089 3.126 1 1 990 . 7 1 1 A 113 113 TRP H H 91 9.084 8.339 0.745 1 1 991 . 7 1 1 A 113 113 TRP HA H 91 5.129 5.205 -0.076 1 1 996 . 7 1 1 A 113 113 TRP C C 91 176.725 176.238 0.487 1 1 997 . 7 1 1 A 113 113 TRP CA C 91 56.263 55.488 0.775 1 1 998 . 7 1 1 A 113 113 TRP CB C 91 31.282 31.122 0.160 1 1 999 . 7 1 1 A 113 113 TRP N N 91 125.391 124.550 0.841 1 1 1001 . 7 1 1 A 114 114 GLN H H 92 9.712 9.239 0.473 1 1 1002 . 7 1 1 A 114 114 GLN HA H 92 5.078 4.619 0.459 1 1 1007 . 7 1 1 A 114 114 GLN CA C 92 52.872 54.178 -1.306 1 1 1008 . 7 1 1 A 114 114 GLN CB C 92 30.288 28.321 1.967 1 1 1010 . 7 1 1 A 114 114 GLN N N 92 122.696 121.296 1.400 1 1 1011 . 7 1 1 A 115 115 PRO HA H 93 4.689 4.561 0.128 1 1 1018 . 7 1 1 A 115 115 PRO C C 93 176.690 177.135 -0.445 1 1 1019 . 7 1 1 A 115 115 PRO CA C 93 63.246 65.288 -2.042 1 1 1020 . 7 1 1 A 115 115 PRO CB C 93 32.152 31.861 0.291 1 1 1023 . 7 1 1 A 116 116 ALA H H 94 8.429 7.992 0.437 1 1 1024 . 7 1 1 A 116 116 ALA HA H 94 4.615 4.580 0.035 1 1 1028 . 7 1 1 A 116 116 ALA C C 94 177.230 175.934 1.296 1 1 1029 . 7 1 1 A 116 116 ALA CA C 94 51.966 53.769 -1.803 1 1 1030 . 7 1 1 A 116 116 ALA CB C 94 20.497 18.008 2.489 1 1 1031 . 7 1 1 A 116 116 ALA N N 94 125.566 119.804 5.762 1 1 1032 . 7 1 1 A 117 117 GLU H H 95 8.754 7.859 0.895 1 1 1033 . 7 1 1 A 117 117 GLU HA H 95 4.479 4.525 -0.046 1 1 1038 . 7 1 1 A 117 117 GLU CA C 95 56.146 56.512 -0.366 1 1 1039 . 7 1 1 A 117 117 GLU CB C 95 30.856 29.832 1.024 1 1 11 . 8 1 1 A 24 24 PHE H H 2 8.940 8.346 0.594 1 1 12 . 8 1 1 A 24 24 PHE HA H 2 4.540 5.050 -0.510 1 1 17 . 8 1 1 A 24 24 PHE C C 2 173.640 175.378 -1.738 1 1 18 . 8 1 1 A 24 24 PHE CA C 2 58.262 57.197 1.065 1 1 19 . 8 1 1 A 24 24 PHE CB C 2 40.639 41.813 -1.174 1 1 20 . 8 1 1 A 24 24 PHE N N 2 121.410 123.838 -2.428 1 1 21 . 8 1 1 A 25 25 ARG H H 3 8.559 9.039 -0.480 1 1 22 . 8 1 1 A 25 25 ARG HA H 3 5.932 5.105 0.827 1 1 29 . 8 1 1 A 25 25 ARG C C 3 175.870 174.433 1.437 1 1 30 . 8 1 1 A 25 25 ARG CA C 3 53.965 55.108 -1.143 1 1 31 . 8 1 1 A 25 25 ARG CB C 3 34.959 33.577 1.382 1 1 34 . 8 1 1 A 25 25 ARG N N 3 123.288 121.081 2.207 1 1 35 . 8 1 1 A 26 26 SER H H 4 9.096 8.845 0.251 1 1 36 . 8 1 1 A 26 26 SER HA H 4 5.306 5.562 -0.256 1 1 39 . 8 1 1 A 26 26 SER C C 4 173.230 172.794 0.436 1 1 40 . 8 1 1 A 26 26 SER CA C 4 56.908 56.462 0.446 1 1 41 . 8 1 1 A 26 26 SER CB C 4 66.846 66.549 0.297 1 1 42 . 8 1 1 A 26 26 SER N N 4 120.152 119.502 0.650 1 1 43 . 8 1 1 A 27 27 THR H H 5 8.889 8.805 0.084 1 1 44 . 8 1 1 A 27 27 THR HA H 5 6.172 5.584 0.588 1 1 49 . 8 1 1 A 27 27 THR C C 5 173.740 172.263 1.477 1 1 50 . 8 1 1 A 27 27 THR CA C 5 59.621 60.795 -1.174 1 1 51 . 8 1 1 A 27 27 THR CB C 5 75.444 71.550 3.894 1 1 53 . 8 1 1 A 27 27 THR N N 5 112.196 114.725 -2.529 1 1 54 . 8 1 1 A 28 28 SER H H 6 8.945 9.147 -0.202 1 1 55 . 8 1 1 A 28 28 SER HA H 6 4.643 5.447 -0.804 1 1 58 . 8 1 1 A 28 28 SER C C 6 173.400 172.653 0.747 1 1 59 . 8 1 1 A 28 28 SER CA C 6 57.727 56.864 0.863 1 1 60 . 8 1 1 A 28 28 SER CB C 6 65.115 64.794 0.321 1 1 61 . 8 1 1 A 28 28 SER N N 6 115.468 120.726 -5.258 1 1 62 . 8 1 1 A 29 29 HIS H H 7 8.713 9.012 -0.299 1 1 63 . 8 1 1 A 29 29 HIS HA H 7 5.046 5.461 -0.415 1 1 67 . 8 1 1 A 29 29 HIS C C 7 175.330 173.641 1.689 1 1 68 . 8 1 1 A 29 29 HIS CA C 7 55.507 53.835 1.672 1 1 69 . 8 1 1 A 29 29 HIS CB C 7 31.214 32.652 -1.438 1 1 70 . 8 1 1 A 29 29 HIS N N 7 130.131 127.872 2.259 1 1 71 . 8 1 1 A 30 30 VAL H H 8 9.318 8.950 0.368 1 1 72 . 8 1 1 A 30 30 VAL HA H 8 4.431 4.762 -0.331 1 1 80 . 8 1 1 A 30 30 VAL C C 8 175.620 174.799 0.821 1 1 81 . 8 1 1 A 30 30 VAL CA C 8 61.142 60.288 0.854 1 1 82 . 8 1 1 A 30 30 VAL CB C 8 33.063 35.774 -2.711 1 1 85 . 8 1 1 A 30 30 VAL N N 8 128.679 126.551 2.128 1 1 86 . 8 1 1 A 31 31 ARG H H 9 9.212 8.637 0.575 1 1 87 . 8 1 1 A 31 31 ARG HA H 9 4.517 5.030 -0.513 1 1 94 . 8 1 1 A 31 31 ARG C C 9 176.520 175.773 0.747 1 1 95 . 8 1 1 A 31 31 ARG CA C 9 57.458 55.285 2.173 1 1 96 . 8 1 1 A 31 31 ARG CB C 9 29.842 30.837 -0.995 1 1 99 . 8 1 1 A 31 31 ARG N N 9 128.640 125.655 2.985 1 1 100 . 8 1 1 A 32 32 THR H H 10 7.941 8.939 -0.998 1 1 101 . 8 1 1 A 32 32 THR HA H 10 4.627 5.050 -0.423 1 1 105 . 8 1 1 A 32 32 THR C C 10 172.560 172.786 -0.226 1 1 106 . 8 1 1 A 32 32 THR CA C 10 61.473 59.923 1.550 1 1 107 . 8 1 1 A 32 32 THR CB C 10 66.191 73.167 -6.976 1 1 109 . 8 1 1 A 32 32 THR N N 10 120.036 118.515 1.521 1 1 110 . 8 1 1 A 33 33 GLU H H 11 9.022 8.960 0.062 1 1 111 . 8 1 1 A 33 33 GLU HA H 11 4.731 4.788 -0.057 1 1 116 . 8 1 1 A 33 33 GLU C C 11 177.810 176.842 0.968 1 1 117 . 8 1 1 A 33 33 GLU CA C 11 57.466 55.369 2.097 1 1 118 . 8 1 1 A 33 33 GLU CB C 11 30.044 31.760 -1.716 1 1 120 . 8 1 1 A 33 33 GLU N N 11 126.859 123.428 3.431 1 1 121 . 8 1 1 A 34 34 SER H H 12 8.930 9.302 -0.372 1 1 122 . 8 1 1 A 34 34 SER HA H 12 4.795 4.102 0.693 1 1 125 . 8 1 1 A 34 34 SER C C 12 173.360 174.478 -1.118 1 1 126 . 8 1 1 A 34 34 SER CA C 12 56.842 59.000 -2.158 1 1 127 . 8 1 1 A 34 34 SER CB C 12 63.756 62.567 1.189 1 1 128 . 8 1 1 A 34 34 SER N N 12 119.717 118.520 1.197 1 1 129 . 8 1 1 A 35 35 ALA H H 13 8.756 7.737 1.019 1 1 130 . 8 1 1 A 35 35 ALA HA H 13 3.542 3.816 -0.274 1 1 134 . 8 1 1 A 35 35 ALA C C 13 178.560 179.131 -0.571 1 1 135 . 8 1 1 A 35 35 ALA CA C 13 56.288 55.095 1.193 1 1 136 . 8 1 1 A 35 35 ALA CB C 13 21.558 18.752 2.806 1 1 137 . 8 1 1 A 35 35 ALA N N 13 121.856 122.642 -0.786 1 1 138 . 8 1 1 A 36 36 ALA H H 14 8.442 8.139 0.303 1 1 139 . 8 1 1 A 36 36 ALA HA H 14 3.691 4.257 -0.566 1 1 143 . 8 1 1 A 36 36 ALA C C 14 179.900 179.633 0.267 1 1 144 . 8 1 1 A 36 36 ALA CA C 14 55.754 54.760 0.994 1 1 145 . 8 1 1 A 36 36 ALA CB C 14 17.368 18.306 -0.938 1 1 146 . 8 1 1 A 36 36 ALA N N 14 117.191 119.325 -2.134 1 1 147 . 8 1 1 A 37 37 ARG H H 15 7.513 7.307 0.206 1 1 148 . 8 1 1 A 37 37 ARG HA H 15 4.097 4.078 0.019 1 1 155 . 8 1 1 A 37 37 ARG C C 15 178.720 178.654 0.066 1 1 156 . 8 1 1 A 37 37 ARG CA C 15 58.699 58.603 0.096 1 1 157 . 8 1 1 A 37 37 ARG CB C 15 30.024 29.940 0.084 1 1 160 . 8 1 1 A 37 37 ARG N N 15 118.952 118.921 0.031 1 1 161 . 8 1 1 A 38 38 TYR H H 16 7.632 8.021 -0.389 1 1 162 . 8 1 1 A 38 38 TYR HA H 16 4.433 4.384 0.049 1 1 166 . 8 1 1 A 38 38 TYR C C 16 178.110 178.297 -0.187 1 1 167 . 8 1 1 A 38 38 TYR CA C 16 58.473 60.976 -2.503 1 1 168 . 8 1 1 A 38 38 TYR CB C 16 36.286 37.568 -1.282 1 1 169 . 8 1 1 A 38 38 TYR N N 16 118.516 119.308 -0.792 1 1 170 . 8 1 1 A 39 39 VAL H H 17 8.680 7.605 1.075 1 1 171 . 8 1 1 A 39 39 VAL HA H 17 3.491 3.737 -0.246 1 1 179 . 8 1 1 A 39 39 VAL C C 17 177.450 178.160 -0.710 1 1 180 . 8 1 1 A 39 39 VAL CA C 17 68.093 66.352 1.741 1 1 181 . 8 1 1 A 39 39 VAL CB C 17 31.943 31.772 0.171 1 1 184 . 8 1 1 A 39 39 VAL N N 17 119.126 120.674 -1.548 1 1 185 . 8 1 1 A 40 40 ASN H H 18 7.813 7.997 -0.184 1 1 186 . 8 1 1 A 40 40 ASN HA H 18 4.280 4.525 -0.245 1 1 189 . 8 1 1 A 40 40 ASN C C 18 177.190 178.038 -0.848 1 1 190 . 8 1 1 A 40 40 ASN CA C 18 57.525 56.554 0.971 1 1 191 . 8 1 1 A 40 40 ASN CB C 18 39.474 37.858 1.616 1 1 192 . 8 1 1 A 40 40 ASN N N 18 118.013 117.582 0.431 1 1 193 . 8 1 1 A 41 41 ARG H H 19 8.425 8.211 0.214 1 1 194 . 8 1 1 A 41 41 ARG HA H 19 4.010 4.181 -0.171 1 1 201 . 8 1 1 A 41 41 ARG C C 19 180.050 179.139 0.911 1 1 202 . 8 1 1 A 41 41 ARG CA C 19 59.734 58.716 1.018 1 1 203 . 8 1 1 A 41 41 ARG CB C 19 30.877 29.900 0.977 1 1 206 . 8 1 1 A 41 41 ARG N N 19 116.687 120.827 -4.140 1 1 207 . 8 1 1 A 42 42 LEU H H 20 8.731 8.059 0.672 1 1 208 . 8 1 1 A 42 42 LEU HA H 20 3.904 4.185 -0.281 1 1 218 . 8 1 1 A 42 42 LEU C C 20 178.690 178.760 -0.070 1 1 219 . 8 1 1 A 42 42 LEU CA C 20 58.238 57.911 0.327 1 1 220 . 8 1 1 A 42 42 LEU CB C 20 41.659 41.802 -0.143 1 1 224 . 8 1 1 A 42 42 LEU N N 20 120.849 120.064 0.785 1 1 225 . 8 1 1 A 43 43 CYS H H 21 8.241 8.665 -0.424 1 1 226 . 8 1 1 A 43 43 CYS HA H 21 4.268 4.196 0.072 1 1 229 . 8 1 1 A 43 43 CYS C C 21 177.530 176.628 0.902 1 1 230 . 8 1 1 A 43 43 CYS CA C 21 65.374 62.369 3.005 1 1 231 . 8 1 1 A 43 43 CYS CB C 21 27.962 27.456 0.506 1 1 232 . 8 1 1 A 43 43 CYS N N 21 115.952 117.743 -1.791 1 1 233 . 8 1 1 A 44 44 LYS H H 22 8.364 7.912 0.452 1 1 234 . 8 1 1 A 44 44 LYS HA H 22 4.091 4.327 -0.236 1 1 243 . 8 1 1 A 44 44 LYS C C 22 179.020 178.769 0.251 1 1 244 . 8 1 1 A 44 44 LYS CA C 22 59.004 57.837 1.167 1 1 245 . 8 1 1 A 44 44 LYS CB C 22 31.921 32.660 -0.739 1 1 249 . 8 1 1 A 44 44 LYS N N 22 119.823 119.846 -0.023 1 1 250 . 8 1 1 A 45 45 HIS H H 23 8.036 8.206 -0.170 1 1 251 . 8 1 1 A 45 45 HIS HA H 23 4.408 4.152 0.256 1 1 255 . 8 1 1 A 45 45 HIS C C 23 177.870 176.868 1.002 1 1 256 . 8 1 1 A 45 45 HIS CA C 23 60.404 59.374 1.030 1 1 257 . 8 1 1 A 45 45 HIS CB C 23 30.954 30.520 0.434 1 1 258 . 8 1 1 A 45 45 HIS N N 23 118.729 120.941 -2.212 1 1 259 . 8 1 1 A 46 46 TRP H H 24 8.426 8.717 -0.291 1 1 260 . 8 1 1 A 46 46 TRP HA H 24 4.903 4.575 0.328 1 1 265 . 8 1 1 A 46 46 TRP C C 24 177.900 177.594 0.306 1 1 266 . 8 1 1 A 46 46 TRP CA C 24 58.973 59.112 -0.139 1 1 267 . 8 1 1 A 46 46 TRP CB C 24 29.328 29.535 -0.207 1 1 268 . 8 1 1 A 46 46 TRP N N 24 117.297 116.357 0.940 1 1 270 . 8 1 1 A 47 47 GLY H H 25 8.254 8.226 0.028 1 1 271 . 8 1 1 A 47 47 GLY HA2 H 25 4.362 4.104 0.258 1 1 272 . 8 1 1 A 47 47 GLY HA3 H 25 3.936 4.158 -0.222 1 1 273 . 8 1 1 A 47 47 GLY CA C 25 46.812 47.474 -0.662 1 1 274 . 8 1 1 A 47 47 GLY N N 25 108.683 108.604 0.079 1 1 275 . 8 1 1 A 48 48 HIS C C 26 176.030 175.190 0.840 1 1 276 . 8 1 1 A 48 48 HIS CA C 26 58.358 57.297 1.061 1 1 277 . 8 1 1 A 48 48 HIS CB C 26 30.438 32.182 -1.744 1 1 278 . 8 1 1 A 49 49 LYS H H 27 7.544 7.982 -0.438 1 1 279 . 8 1 1 A 49 49 LYS HA H 27 4.236 4.380 -0.144 1 1 288 . 8 1 1 A 49 49 LYS C C 27 174.880 174.430 0.450 1 1 289 . 8 1 1 A 49 49 LYS CA C 27 56.572 55.292 1.280 1 1 290 . 8 1 1 A 49 49 LYS CB C 27 35.793 33.895 1.898 1 1 294 . 8 1 1 A 49 49 LYS N N 27 117.278 119.819 -2.541 1 1 295 . 8 1 1 A 50 50 PHE H H 28 8.178 7.695 0.483 1 1 296 . 8 1 1 A 50 50 PHE HA H 28 5.016 5.101 -0.085 1 1 301 . 8 1 1 A 50 50 PHE C C 28 174.190 174.830 -0.640 1 1 302 . 8 1 1 A 50 50 PHE CA C 28 55.756 56.235 -0.479 1 1 303 . 8 1 1 A 50 50 PHE CB C 28 41.140 43.200 -2.060 1 1 304 . 8 1 1 A 50 50 PHE N N 28 118.846 119.089 -0.243 1 1 305 . 8 1 1 A 51 51 GLU H H 29 7.812 8.549 -0.737 1 1 306 . 8 1 1 A 51 51 GLU HA H 29 4.449 4.618 -0.169 1 1 311 . 8 1 1 A 51 51 GLU C C 29 175.570 176.131 -0.561 1 1 312 . 8 1 1 A 51 51 GLU CA C 29 56.852 56.266 0.586 1 1 313 . 8 1 1 A 51 51 GLU CB C 29 30.207 29.901 0.306 1 1 315 . 8 1 1 A 51 51 GLU N N 29 120.355 121.291 -0.936 1 1 316 . 8 1 1 A 52 52 VAL H H 30 8.395 8.998 -0.603 1 1 317 . 8 1 1 A 52 52 VAL HA H 30 5.383 5.483 -0.100 1 1 325 . 8 1 1 A 52 52 VAL C C 30 175.850 174.455 1.395 1 1 326 . 8 1 1 A 52 52 VAL CA C 30 59.969 60.411 -0.442 1 1 327 . 8 1 1 A 52 52 VAL CB C 30 36.173 34.370 1.803 1 1 330 . 8 1 1 A 52 52 VAL N N 30 124.120 121.363 2.757 1 1 331 . 8 1 1 A 53 53 GLU H H 31 9.289 9.316 -0.027 1 1 332 . 8 1 1 A 53 53 GLU HA H 31 4.717 5.000 -0.283 1 1 337 . 8 1 1 A 53 53 GLU C C 31 174.370 175.428 -1.058 1 1 338 . 8 1 1 A 53 53 GLU CA C 31 55.415 56.129 -0.714 1 1 339 . 8 1 1 A 53 53 GLU CB C 31 33.211 31.788 1.423 1 1 341 . 8 1 1 A 53 53 GLU N N 31 126.346 127.018 -0.672 1 1 342 . 8 1 1 A 54 54 LEU H H 32 8.763 8.711 0.052 1 1 343 . 8 1 1 A 54 54 LEU HA H 32 5.375 5.063 0.312 1 1 353 . 8 1 1 A 54 54 LEU C C 32 175.100 175.342 -0.242 1 1 354 . 8 1 1 A 54 54 LEU CA C 32 55.010 54.329 0.681 1 1 355 . 8 1 1 A 54 54 LEU CB C 32 45.485 45.304 0.181 1 1 359 . 8 1 1 A 54 54 LEU N N 32 126.898 123.784 3.114 1 1 360 . 8 1 1 A 55 55 THR H H 33 9.159 8.271 0.888 1 1 361 . 8 1 1 A 55 55 THR HA H 33 4.886 5.085 -0.199 1 1 366 . 8 1 1 A 55 55 THR CA C 33 59.489 58.833 0.656 1 1 367 . 8 1 1 A 55 55 THR CB C 33 69.241 70.258 -1.017 1 1 369 . 8 1 1 A 55 55 THR N N 33 121.246 116.942 4.304 1 1 370 . 8 1 1 A 56 56 PRO HA H 34 4.269 4.593 -0.324 1 1 377 . 8 1 1 A 56 56 PRO C C 34 177.750 175.757 1.993 1 1 378 . 8 1 1 A 56 56 PRO CA C 34 65.968 62.920 3.048 1 1 379 . 8 1 1 A 56 56 PRO CB C 34 31.786 29.897 1.889 1 1 382 . 8 1 1 A 57 57 GLU H H 35 8.148 8.336 -0.188 1 1 383 . 8 1 1 A 57 57 GLU HA H 35 4.351 4.538 -0.187 1 1 388 . 8 1 1 A 57 57 GLU C C 35 175.720 175.902 -0.182 1 1 389 . 8 1 1 A 57 57 GLU CA C 35 57.085 56.884 0.201 1 1 390 . 8 1 1 A 57 57 GLU CB C 35 30.299 32.419 -2.120 1 1 392 . 8 1 1 A 57 57 GLU N N 35 112.303 120.423 -8.120 1 1 393 . 8 1 1 A 58 58 ARG H H 36 7.777 7.847 -0.070 1 1 394 . 8 1 1 A 58 58 ARG HA H 36 5.418 5.154 0.264 1 1 401 . 8 1 1 A 58 58 ARG C C 36 173.610 173.965 -0.355 1 1 402 . 8 1 1 A 58 58 ARG CA C 36 55.576 55.053 0.523 1 1 403 . 8 1 1 A 58 58 ARG CB C 36 33.324 32.605 0.719 1 1 406 . 8 1 1 A 58 58 ARG N N 36 122.018 115.269 6.749 1 1 407 . 8 1 1 A 59 59 GLY H H 37 9.650 8.652 0.998 1 1 408 . 8 1 1 A 59 59 GLY HA2 H 37 5.484 4.274 1.210 1 1 409 . 8 1 1 A 59 59 GLY HA3 H 37 3.554 4.286 -0.732 1 1 410 . 8 1 1 A 59 59 GLY C C 37 171.630 171.939 -0.309 1 1 411 . 8 1 1 A 59 59 GLY CA C 37 44.563 44.550 0.013 1 1 412 . 8 1 1 A 59 59 GLY N N 37 113.745 106.896 6.849 1 1 413 . 8 1 1 A 60 60 PHE H H 38 9.138 9.133 0.005 1 1 414 . 8 1 1 A 60 60 PHE HA H 38 5.472 5.104 0.368 1 1 419 . 8 1 1 A 60 60 PHE C C 38 173.180 174.168 -0.988 1 1 420 . 8 1 1 A 60 60 PHE CA C 38 57.234 56.330 0.904 1 1 421 . 8 1 1 A 60 60 PHE CB C 38 43.107 41.228 1.879 1 1 422 . 8 1 1 A 60 60 PHE N N 38 124.144 125.674 -1.530 1 1 423 . 8 1 1 A 61 61 ILE H H 39 8.618 8.292 0.326 1 1 424 . 8 1 1 A 61 61 ILE HA H 39 4.226 4.885 -0.659 1 1 434 . 8 1 1 A 61 61 ILE C C 39 172.950 173.970 -1.020 1 1 435 . 8 1 1 A 61 61 ILE CA C 39 60.357 60.480 -0.123 1 1 436 . 8 1 1 A 61 61 ILE CB C 39 41.488 39.785 1.703 1 1 440 . 8 1 1 A 61 61 ILE N N 39 126.753 127.300 -0.547 1 1 441 . 8 1 1 A 62 62 ASP H H 40 8.192 8.081 0.111 1 1 442 . 8 1 1 A 62 62 ASP HA H 40 4.464 5.285 -0.821 1 1 445 . 8 1 1 A 62 62 ASP C C 40 176.240 176.742 -0.502 1 1 446 . 8 1 1 A 62 62 ASP CA C 40 52.208 52.344 -0.136 1 1 447 . 8 1 1 A 62 62 ASP CB C 40 41.489 42.111 -0.622 1 1 448 . 8 1 1 A 62 62 ASP N N 40 124.314 127.929 -3.615 1 1 449 . 8 1 1 A 63 63 PHE H H 41 8.165 8.761 -0.596 1 1 450 . 8 1 1 A 63 63 PHE HA H 41 4.007 4.766 -0.759 1 1 454 . 8 1 1 A 63 63 PHE C C 41 175.640 175.798 -0.158 1 1 455 . 8 1 1 A 63 63 PHE CA C 41 58.407 57.883 0.524 1 1 456 . 8 1 1 A 63 63 PHE CB C 41 38.486 39.316 -0.830 1 1 457 . 8 1 1 A 63 63 PHE N N 41 123.395 121.351 2.044 1 1 458 . 8 1 1 A 64 64 GLY H H 42 9.003 7.989 1.014 1 1 459 . 8 1 1 A 64 64 GLY HA2 H 42 4.675 3.998 0.677 1 1 460 . 8 1 1 A 64 64 GLY HA3 H 42 3.484 4.008 -0.524 1 1 461 . 8 1 1 A 64 64 GLY CA C 42 45.938 46.512 -0.574 1 1 462 . 8 1 1 A 64 64 GLY N N 42 112.196 108.014 4.182 1 1 463 . 8 1 1 A 65 65 ASP HA H 43 4.675 4.728 -0.053 1 1 466 . 8 1 1 A 65 65 ASP C C 43 176.170 174.358 1.812 1 1 467 . 8 1 1 A 65 65 ASP CA C 43 55.415 53.462 1.953 1 1 468 . 8 1 1 A 65 65 ASP CB C 43 41.379 39.241 2.138 1 1 469 . 8 1 1 A 66 66 SER H H 44 7.743 7.590 0.153 1 1 470 . 8 1 1 A 66 66 SER HA H 44 5.292 4.986 0.306 1 1 473 . 8 1 1 A 66 66 SER C C 44 172.190 172.234 -0.044 1 1 474 . 8 1 1 A 66 66 SER CA C 44 57.890 57.657 0.233 1 1 475 . 8 1 1 A 66 66 SER CB C 44 66.054 65.770 0.284 1 1 476 . 8 1 1 A 66 66 SER N N 44 112.796 110.924 1.872 1 1 477 . 8 1 1 A 67 67 ASN H H 45 9.075 8.904 0.171 1 1 478 . 8 1 1 A 67 67 ASN HA H 45 5.126 5.136 -0.010 1 1 481 . 8 1 1 A 67 67 ASN C C 45 172.300 173.610 -1.310 1 1 482 . 8 1 1 A 67 67 ASN CA C 45 52.997 51.863 1.134 1 1 483 . 8 1 1 A 67 67 ASN CB C 45 42.047 43.502 -1.455 1 1 484 . 8 1 1 A 67 67 ASN N N 45 114.955 117.007 -2.052 1 1 485 . 8 1 1 A 68 68 CYS H H 46 8.757 8.238 0.519 1 1 486 . 8 1 1 A 68 68 CYS HA H 46 5.652 4.848 0.804 1 1 489 . 8 1 1 A 68 68 CYS C C 46 170.650 172.848 -2.198 1 1 490 . 8 1 1 A 68 68 CYS CA C 46 56.668 58.358 -1.690 1 1 491 . 8 1 1 A 68 68 CYS CB C 46 31.195 29.154 2.041 1 1 492 . 8 1 1 A 68 68 CYS N N 46 119.184 118.374 0.810 1 1 493 . 8 1 1 A 69 69 GLU H H 47 9.587 9.333 0.254 1 1 494 . 8 1 1 A 69 69 GLU HA H 47 5.283 5.438 -0.155 1 1 499 . 8 1 1 A 69 69 GLU C C 47 174.190 175.053 -0.863 1 1 500 . 8 1 1 A 69 69 GLU CA C 47 54.401 55.579 -1.178 1 1 501 . 8 1 1 A 69 69 GLU CB C 47 33.607 32.019 1.588 1 1 503 . 8 1 1 A 69 69 GLU N N 47 131.612 128.735 2.877 1 1 504 . 8 1 1 A 70 70 LEU H H 48 9.523 8.386 1.137 1 1 505 . 8 1 1 A 70 70 LEU HA H 48 5.314 4.963 0.351 1 1 515 . 8 1 1 A 70 70 LEU C C 48 174.730 174.028 0.702 1 1 516 . 8 1 1 A 70 70 LEU CA C 48 53.570 54.346 -0.776 1 1 517 . 8 1 1 A 70 70 LEU CB C 48 46.109 45.540 0.569 1 1 521 . 8 1 1 A 70 70 LEU N N 48 125.069 124.838 0.231 1 1 522 . 8 1 1 A 71 71 LEU H H 49 9.493 9.487 0.006 1 1 523 . 8 1 1 A 71 71 LEU HA H 49 5.001 5.258 -0.257 1 1 533 . 8 1 1 A 71 71 LEU C C 49 175.310 175.255 0.055 1 1 534 . 8 1 1 A 71 71 LEU CA C 49 53.809 54.021 -0.212 1 1 535 . 8 1 1 A 71 71 LEU CB C 49 42.880 44.163 -1.283 1 1 539 . 8 1 1 A 71 71 LEU N N 49 123.714 128.596 -4.882 1 1 540 . 8 1 1 A 72 72 ALA H H 50 8.255 8.398 -0.143 1 1 541 . 8 1 1 A 72 72 ALA HA H 50 4.307 5.176 -0.869 1 1 545 . 8 1 1 A 72 72 ALA C C 50 174.800 175.316 -0.516 1 1 546 . 8 1 1 A 72 72 ALA CA C 50 51.618 51.363 0.255 1 1 547 . 8 1 1 A 72 72 ALA CB C 50 18.634 21.468 -2.834 1 1 548 . 8 1 1 A 72 72 ALA N N 50 125.398 128.308 -2.910 1 1 549 . 8 1 1 A 73 73 HIS H H 51 8.053 9.522 -1.469 1 1 550 . 8 1 1 A 73 73 HIS HA H 51 4.953 4.930 0.023 1 1 554 . 8 1 1 A 73 73 HIS CA C 51 54.682 53.892 0.790 1 1 555 . 8 1 1 A 73 73 HIS CB C 51 31.150 31.895 -0.745 1 1 556 . 8 1 1 A 73 73 HIS N N 51 123.172 123.869 -0.697 1 1 557 . 8 1 1 A 74 74 PRO HA H 52 4.385 4.128 0.257 1 1 564 . 8 1 1 A 74 74 PRO C C 52 176.370 176.642 -0.272 1 1 565 . 8 1 1 A 74 74 PRO CA C 52 65.625 64.973 0.652 1 1 566 . 8 1 1 A 74 74 PRO CB C 52 32.014 31.918 0.096 1 1 569 . 8 1 1 A 75 75 ASP H H 53 8.303 8.221 0.082 1 1 570 . 8 1 1 A 75 75 ASP HA H 53 4.955 5.241 -0.286 1 1 573 . 8 1 1 A 75 75 ASP C C 53 177.380 175.306 2.074 1 1 574 . 8 1 1 A 75 75 ASP CA C 53 52.034 54.119 -2.085 1 1 575 . 8 1 1 A 75 75 ASP CB C 53 41.826 42.518 -0.692 1 1 576 . 8 1 1 A 75 75 ASP N N 53 109.961 116.157 -6.196 1 1 577 . 8 1 1 A 76 76 HIS H H 54 7.379 7.570 -0.191 1 1 578 . 8 1 1 A 76 76 HIS HA H 54 5.421 5.462 -0.041 1 1 582 . 8 1 1 A 76 76 HIS C C 54 172.470 172.856 -0.386 1 1 583 . 8 1 1 A 76 76 HIS CA C 54 56.943 54.340 2.603 1 1 584 . 8 1 1 A 76 76 HIS CB C 54 29.909 33.719 -3.810 1 1 585 . 8 1 1 A 76 76 HIS N N 54 114.752 116.685 -1.933 1 1 586 . 8 1 1 A 77 77 VAL H H 55 8.933 8.626 0.307 1 1 587 . 8 1 1 A 77 77 VAL HA H 55 4.837 5.163 -0.326 1 1 595 . 8 1 1 A 77 77 VAL C C 55 173.420 173.942 -0.522 1 1 596 . 8 1 1 A 77 77 VAL CA C 55 59.429 59.900 -0.471 1 1 597 . 8 1 1 A 77 77 VAL CB C 55 35.121 35.599 -0.478 1 1 600 . 8 1 1 A 77 77 VAL N N 55 117.287 119.725 -2.438 1 1 601 . 8 1 1 A 78 78 LEU H H 56 9.004 9.673 -0.669 1 1 602 . 8 1 1 A 78 78 LEU HA H 56 5.466 5.284 0.182 1 1 612 . 8 1 1 A 78 78 LEU C C 56 175.140 175.982 -0.842 1 1 613 . 8 1 1 A 78 78 LEU CA C 56 53.084 53.791 -0.707 1 1 614 . 8 1 1 A 78 78 LEU CB C 56 44.499 45.486 -0.987 1 1 618 . 8 1 1 A 78 78 LEU N N 56 130.334 127.915 2.419 1 1 619 . 8 1 1 A 79 79 MET H H 57 9.381 8.840 0.541 1 1 620 . 8 1 1 A 79 79 MET HA H 57 5.678 5.251 0.427 1 1 625 . 8 1 1 A 79 79 MET C C 57 175.160 174.649 0.511 1 1 626 . 8 1 1 A 79 79 MET CA C 57 54.216 54.322 -0.106 1 1 627 . 8 1 1 A 79 79 MET CB C 57 37.309 35.146 2.163 1 1 629 . 8 1 1 A 79 79 MET N N 57 124.304 121.973 2.331 1 1 630 . 8 1 1 A 80 80 ILE H H 58 9.552 8.742 0.810 1 1 631 . 8 1 1 A 80 80 ILE HA H 58 4.957 5.078 -0.121 1 1 641 . 8 1 1 A 80 80 ILE C C 58 175.160 175.447 -0.287 1 1 642 . 8 1 1 A 80 80 ILE CA C 58 61.338 60.077 1.261 1 1 643 . 8 1 1 A 80 80 ILE CB C 58 41.092 41.352 -0.260 1 1 647 . 8 1 1 A 80 80 ILE N N 58 122.359 124.635 -2.276 1 1 648 . 8 1 1 A 81 81 LEU H H 59 9.549 9.110 0.439 1 1 649 . 8 1 1 A 81 81 LEU HA H 59 5.274 5.166 0.108 1 1 659 . 8 1 1 A 81 81 LEU C C 59 174.280 175.339 -1.059 1 1 660 . 8 1 1 A 81 81 LEU CA C 59 53.621 52.577 1.044 1 1 661 . 8 1 1 A 81 81 LEU CB C 59 46.837 45.324 1.513 1 1 665 . 8 1 1 A 81 81 LEU N N 59 131.901 124.564 7.337 1 1 666 . 8 1 1 A 82 82 ASN H H 60 8.516 8.359 0.157 1 1 667 . 8 1 1 A 82 82 ASN HA H 60 5.851 5.471 0.380 1 1 670 . 8 1 1 A 82 82 ASN C C 60 174.840 173.988 0.852 1 1 671 . 8 1 1 A 82 82 ASN CA C 60 52.549 52.008 0.541 1 1 672 . 8 1 1 A 82 82 ASN CB C 60 43.188 39.704 3.484 1 1 673 . 8 1 1 A 82 82 ASN N N 60 120.142 118.853 1.289 1 1 674 . 8 1 1 A 83 83 SER H H 61 9.176 8.372 0.804 1 1 675 . 8 1 1 A 83 83 SER HA H 61 5.295 4.861 0.434 1 1 678 . 8 1 1 A 83 83 SER CA C 61 57.388 55.675 1.713 1 1 679 . 8 1 1 A 83 83 SER CB C 61 68.052 65.869 2.183 1 1 680 . 8 1 1 A 83 83 SER N N 61 116.871 119.336 -2.465 1 1 681 . 8 1 1 A 84 84 PRO HA H 62 4.907 4.030 0.877 1 1 688 . 8 1 1 A 84 84 PRO C C 62 175.210 174.748 0.462 1 1 689 . 8 1 1 A 84 84 PRO CA C 62 64.539 63.645 0.894 1 1 690 . 8 1 1 A 84 84 PRO CB C 62 32.726 31.677 1.049 1 1 693 . 8 1 1 A 85 85 ASP H H 63 7.228 7.230 -0.002 1 1 694 . 8 1 1 A 85 85 ASP HA H 63 4.630 5.215 -0.585 1 1 697 . 8 1 1 A 85 85 ASP C C 63 174.540 176.444 -1.904 1 1 698 . 8 1 1 A 85 85 ASP CA C 63 53.119 52.752 0.367 1 1 699 . 8 1 1 A 85 85 ASP CB C 63 42.880 43.553 -0.673 1 1 700 . 8 1 1 A 85 85 ASP N N 63 112.313 112.900 -0.587 1 1 701 . 8 1 1 A 86 86 GLU H H 64 8.761 9.468 -0.707 1 1 702 . 8 1 1 A 86 86 GLU HA H 64 3.321 4.110 -0.789 1 1 707 . 8 1 1 A 86 86 GLU C C 64 178.440 178.598 -0.158 1 1 708 . 8 1 1 A 86 86 GLU CA C 64 59.937 59.636 0.301 1 1 709 . 8 1 1 A 86 86 GLU CB C 64 29.707 29.608 0.099 1 1 711 . 8 1 1 A 86 86 GLU N N 64 120.055 121.789 -1.734 1 1 712 . 8 1 1 A 87 87 ASP H H 65 8.332 8.378 -0.046 1 1 713 . 8 1 1 A 87 87 ASP HA H 65 4.414 4.308 0.106 1 1 716 . 8 1 1 A 87 87 ASP C C 65 179.400 178.585 0.815 1 1 717 . 8 1 1 A 87 87 ASP CA C 65 57.203 57.664 -0.461 1 1 718 . 8 1 1 A 87 87 ASP CB C 65 40.323 41.258 -0.935 1 1 719 . 8 1 1 A 87 87 ASP N N 65 121.933 120.520 1.413 1 1 720 . 8 1 1 A 88 88 SER H H 66 8.949 8.127 0.822 1 1 721 . 8 1 1 A 88 88 SER HA H 66 4.169 4.187 -0.018 1 1 724 . 8 1 1 A 88 88 SER C C 66 176.110 176.179 -0.069 1 1 725 . 8 1 1 A 88 88 SER CA C 66 62.032 62.388 -0.356 1 1 726 . 8 1 1 A 88 88 SER CB C 66 62.178 63.002 -0.824 1 1 727 . 8 1 1 A 88 88 SER N N 66 119.726 116.591 3.135 1 1 728 . 8 1 1 A 89 89 LEU H H 67 7.737 8.885 -1.148 1 1 729 . 8 1 1 A 89 89 LEU HA H 67 4.017 4.362 -0.345 1 1 739 . 8 1 1 A 89 89 LEU C C 67 177.790 178.111 -0.321 1 1 740 . 8 1 1 A 89 89 LEU CA C 67 57.958 58.359 -0.401 1 1 741 . 8 1 1 A 89 89 LEU CB C 67 42.394 42.258 0.136 1 1 745 . 8 1 1 A 89 89 LEU N N 67 122.942 122.731 0.211 1 1 746 . 8 1 1 A 90 90 ALA H H 68 7.483 9.416 -1.933 1 1 747 . 8 1 1 A 90 90 ALA HA H 68 3.780 3.957 -0.177 1 1 751 . 8 1 1 A 90 90 ALA C C 68 180.410 179.340 1.070 1 1 752 . 8 1 1 A 90 90 ALA CA C 68 54.782 54.662 0.120 1 1 753 . 8 1 1 A 90 90 ALA CB C 68 17.857 18.393 -0.536 1 1 754 . 8 1 1 A 90 90 ALA N N 68 119.446 120.466 -1.020 1 1 755 . 8 1 1 A 91 91 HIS H H 69 7.707 8.172 -0.465 1 1 756 . 8 1 1 A 91 91 HIS HA H 69 4.377 3.987 0.390 1 1 760 . 8 1 1 A 91 91 HIS C C 69 177.865 177.055 0.810 1 1 761 . 8 1 1 A 91 91 HIS CA C 69 59.518 59.495 0.023 1 1 762 . 8 1 1 A 91 91 HIS CB C 69 30.954 29.473 1.481 1 1 763 . 8 1 1 A 91 91 HIS N N 69 116.881 117.937 -1.056 1 1 764 . 8 1 1 A 92 92 MET H H 70 8.467 8.343 0.124 1 1 765 . 8 1 1 A 92 92 MET HA H 70 4.087 3.832 0.255 1 1 770 . 8 1 1 A 92 92 MET C C 70 178.390 177.942 0.448 1 1 771 . 8 1 1 A 92 92 MET CA C 70 55.584 58.513 -2.929 1 1 772 . 8 1 1 A 92 92 MET CB C 70 29.773 33.103 -3.330 1 1 774 . 8 1 1 A 92 92 MET N N 70 116.968 116.779 0.189 1 1 775 . 8 1 1 A 93 93 GLN H H 71 8.309 8.236 0.073 1 1 776 . 8 1 1 A 93 93 GLN HA H 71 2.874 3.954 -1.080 1 1 781 . 8 1 1 A 93 93 GLN C C 71 178.420 177.957 0.463 1 1 782 . 8 1 1 A 93 93 GLN CA C 71 58.852 58.496 0.356 1 1 783 . 8 1 1 A 93 93 GLN CB C 71 27.658 27.861 -0.203 1 1 785 . 8 1 1 A 93 93 GLN N N 71 120.665 117.146 3.519 1 1 786 . 8 1 1 A 94 94 ASN H H 72 6.899 8.098 -1.199 1 1 787 . 8 1 1 A 94 94 ASN HA H 72 4.596 4.399 0.197 1 1 790 . 8 1 1 A 94 94 ASN C C 72 177.380 177.467 -0.087 1 1 791 . 8 1 1 A 94 94 ASN CA C 72 56.037 56.083 -0.046 1 1 792 . 8 1 1 A 94 94 ASN CB C 72 38.219 38.410 -0.191 1 1 793 . 8 1 1 A 94 94 ASN N N 72 116.271 118.890 -2.619 1 1 794 . 8 1 1 A 95 95 VAL H H 73 8.050 7.651 0.399 1 1 795 . 8 1 1 A 95 95 VAL HA H 73 3.983 3.465 0.518 1 1 803 . 8 1 1 A 95 95 VAL C C 73 180.050 178.162 1.888 1 1 804 . 8 1 1 A 95 95 VAL CA C 73 66.515 65.956 0.559 1 1 805 . 8 1 1 A 95 95 VAL CB C 73 32.587 31.218 1.369 1 1 808 . 8 1 1 A 95 95 VAL N N 73 121.798 119.634 2.164 1 1 809 . 8 1 1 A 96 96 VAL H H 74 9.082 7.563 1.519 1 1 810 . 8 1 1 A 96 96 VAL HA H 74 3.986 2.807 1.179 1 1 818 . 8 1 1 A 96 96 VAL C C 74 177.490 177.916 -0.426 1 1 819 . 8 1 1 A 96 96 VAL CA C 74 67.947 65.984 1.963 1 1 820 . 8 1 1 A 96 96 VAL CB C 74 31.966 31.253 0.713 1 1 823 . 8 1 1 A 96 96 VAL N N 74 120.549 120.544 0.005 1 1 824 . 8 1 1 A 97 97 ALA H H 75 8.285 8.154 0.131 1 1 825 . 8 1 1 A 97 97 ALA HA H 75 4.108 3.952 0.156 1 1 829 . 8 1 1 A 97 97 ALA C C 75 179.320 179.282 0.038 1 1 830 . 8 1 1 A 97 97 ALA CA C 75 56.117 54.907 1.210 1 1 831 . 8 1 1 A 97 97 ALA CB C 75 19.867 18.494 1.373 1 1 832 . 8 1 1 A 97 97 ALA N N 75 120.375 121.593 -1.218 1 1 833 . 8 1 1 A 98 98 ASP H H 76 8.522 7.634 0.888 1 1 834 . 8 1 1 A 98 98 ASP HA H 76 4.356 4.387 -0.031 1 1 837 . 8 1 1 A 98 98 ASP C C 76 179.100 178.760 0.340 1 1 838 . 8 1 1 A 98 98 ASP CA C 76 57.252 57.295 -0.043 1 1 839 . 8 1 1 A 98 98 ASP CB C 76 41.335 40.998 0.337 1 1 840 . 8 1 1 A 98 98 ASP N N 76 116.871 118.613 -1.742 1 1 841 . 8 1 1 A 99 99 HIS H H 77 8.162 7.782 0.380 1 1 842 . 8 1 1 A 99 99 HIS HA H 77 3.847 4.379 -0.532 1 1 846 . 8 1 1 A 99 99 HIS C C 77 177.440 178.051 -0.611 1 1 847 . 8 1 1 A 99 99 HIS CA C 77 61.636 59.242 2.394 1 1 848 . 8 1 1 A 99 99 HIS CB C 77 29.328 29.803 -0.475 1 1 849 . 8 1 1 A 99 99 HIS N N 77 116.758 118.628 -1.870 1 1 850 . 8 1 1 A 100 100 LEU H H 78 8.718 8.276 0.442 1 1 851 . 8 1 1 A 100 100 LEU HA H 78 3.862 3.966 -0.104 1 1 861 . 8 1 1 A 100 100 LEU C C 78 177.720 179.411 -1.691 1 1 862 . 8 1 1 A 100 100 LEU CA C 78 58.746 57.449 1.297 1 1 863 . 8 1 1 A 100 100 LEU CB C 78 40.324 41.153 -0.829 1 1 867 . 8 1 1 A 100 100 LEU N N 78 120.332 119.268 1.064 1 1 868 . 8 1 1 A 101 101 GLN H H 79 8.167 8.086 0.081 1 1 869 . 8 1 1 A 101 101 GLN HA H 79 3.973 3.957 0.016 1 1 874 . 8 1 1 A 101 101 GLN C C 79 178.990 178.439 0.551 1 1 875 . 8 1 1 A 101 101 GLN CA C 79 58.359 59.240 -0.881 1 1 876 . 8 1 1 A 101 101 GLN CB C 79 29.575 28.732 0.843 1 1 878 . 8 1 1 A 101 101 GLN N N 79 115.715 119.711 -3.996 1 1 879 . 8 1 1 A 102 102 ARG H H 80 7.835 7.975 -0.140 1 1 880 . 8 1 1 A 102 102 ARG HA H 80 3.990 4.064 -0.074 1 1 887 . 8 1 1 A 102 102 ARG C C 80 178.540 178.570 -0.030 1 1 888 . 8 1 1 A 102 102 ARG CA C 80 58.789 58.835 -0.046 1 1 889 . 8 1 1 A 102 102 ARG CB C 80 30.218 29.834 0.384 1 1 892 . 8 1 1 A 102 102 ARG N N 80 118.207 120.137 -1.930 1 1 893 . 8 1 1 A 103 103 MET H H 81 7.645 8.079 -0.434 1 1 894 . 8 1 1 A 103 103 MET HA H 81 4.353 4.168 0.185 1 1 899 . 8 1 1 A 103 103 MET C C 81 176.300 175.837 0.463 1 1 900 . 8 1 1 A 103 103 MET CA C 81 55.646 56.760 -1.114 1 1 901 . 8 1 1 A 103 103 MET CB C 81 32.620 32.128 0.492 1 1 903 . 8 1 1 A 103 103 MET N N 81 116.250 115.395 0.855 1 1 904 . 8 1 1 A 104 104 ALA H H 82 7.324 7.313 0.011 1 1 905 . 8 1 1 A 104 104 ALA HA H 82 4.386 4.741 -0.355 1 1 909 . 8 1 1 A 104 104 ALA CA C 82 51.004 51.200 -0.196 1 1 910 . 8 1 1 A 104 104 ALA CB C 82 17.678 21.173 -3.495 1 1 911 . 8 1 1 A 104 104 ALA N N 82 123.602 120.961 2.641 1 1 912 . 8 1 1 A 106 106 SER HA H 84 4.610 4.353 0.257 1 1 915 . 8 1 1 A 106 106 SER C C 84 173.480 173.014 0.466 1 1 916 . 8 1 1 A 106 106 SER CA C 84 58.041 59.667 -1.626 1 1 917 . 8 1 1 A 106 106 SER CB C 84 64.139 62.877 1.262 1 1 918 . 8 1 1 A 107 107 GLU H H 85 7.443 7.545 -0.102 1 1 919 . 8 1 1 A 107 107 GLU HA H 85 4.640 4.608 0.032 1 1 924 . 8 1 1 A 107 107 GLU CA C 85 55.058 55.179 -0.121 1 1 925 . 8 1 1 A 107 107 GLU CB C 85 32.203 32.171 0.032 1 1 927 . 8 1 1 A 107 107 GLU N N 85 119.316 117.326 1.990 1 1 928 . 8 1 1 A 108 108 SER HA H 86 4.549 4.673 -0.124 1 1 931 . 8 1 1 A 108 108 SER C C 86 174.220 174.369 -0.149 1 1 932 . 8 1 1 A 108 108 SER CA C 86 57.291 57.722 -0.431 1 1 933 . 8 1 1 A 108 108 SER CB C 86 62.819 62.205 0.614 1 1 934 . 8 1 1 A 109 109 LEU H H 87 9.011 8.133 0.878 1 1 935 . 8 1 1 A 109 109 LEU HA H 87 4.606 3.948 0.658 1 1 945 . 8 1 1 A 109 109 LEU C C 87 176.720 176.235 0.485 1 1 946 . 8 1 1 A 109 109 LEU CA C 87 54.024 55.542 -1.518 1 1 947 . 8 1 1 A 109 109 LEU CB C 87 43.358 40.786 2.572 1 1 951 . 8 1 1 A 109 109 LEU N N 87 126.582 118.816 7.766 1 1 952 . 8 1 1 A 110 110 GLU H H 88 8.530 8.891 -0.361 1 1 953 . 8 1 1 A 110 110 GLU HA H 88 4.541 4.558 -0.017 1 1 958 . 8 1 1 A 110 110 GLU C C 88 175.340 175.992 -0.652 1 1 959 . 8 1 1 A 110 110 GLU CA C 88 55.555 56.433 -0.878 1 1 960 . 8 1 1 A 110 110 GLU CB C 88 29.970 29.961 0.009 1 1 962 . 8 1 1 A 110 110 GLU N N 88 123.263 125.669 -2.406 1 1 963 . 8 1 1 A 111 111 ILE H H 89 8.842 8.478 0.364 1 1 964 . 8 1 1 A 111 111 ILE HA H 89 3.911 4.948 -1.037 1 1 974 . 8 1 1 A 111 111 ILE C C 89 173.250 174.031 -0.781 1 1 975 . 8 1 1 A 111 111 ILE CA C 89 61.207 59.269 1.938 1 1 976 . 8 1 1 A 111 111 ILE CB C 89 38.989 41.230 -2.241 1 1 980 . 8 1 1 A 111 111 ILE N N 89 128.558 121.833 6.725 1 1 981 . 8 1 1 A 112 112 ALA H H 90 8.651 8.874 -0.223 1 1 982 . 8 1 1 A 112 112 ALA HA H 90 4.733 4.902 -0.169 1 1 986 . 8 1 1 A 112 112 ALA C C 90 177.040 176.525 0.515 1 1 987 . 8 1 1 A 112 112 ALA CA C 90 50.598 50.211 0.387 1 1 988 . 8 1 1 A 112 112 ALA CB C 90 21.517 20.106 1.411 1 1 989 . 8 1 1 A 112 112 ALA N N 90 131.215 128.095 3.120 1 1 990 . 8 1 1 A 113 113 TRP H H 91 9.084 8.366 0.718 1 1 991 . 8 1 1 A 113 113 TRP HA H 91 5.129 5.183 -0.054 1 1 996 . 8 1 1 A 113 113 TRP C C 91 176.725 176.219 0.506 1 1 997 . 8 1 1 A 113 113 TRP CA C 91 56.263 55.392 0.871 1 1 998 . 8 1 1 A 113 113 TRP CB C 91 31.282 31.012 0.270 1 1 999 . 8 1 1 A 113 113 TRP N N 91 125.391 124.537 0.854 1 1 1001 . 8 1 1 A 114 114 GLN H H 92 9.712 9.236 0.476 1 1 1002 . 8 1 1 A 114 114 GLN HA H 92 5.078 4.603 0.475 1 1 1007 . 8 1 1 A 114 114 GLN CA C 92 52.872 53.811 -0.939 1 1 1008 . 8 1 1 A 114 114 GLN CB C 92 30.288 28.469 1.819 1 1 1010 . 8 1 1 A 114 114 GLN N N 92 122.696 121.351 1.345 1 1 1011 . 8 1 1 A 115 115 PRO HA H 93 4.689 4.613 0.076 1 1 1018 . 8 1 1 A 115 115 PRO C C 93 176.690 177.384 -0.694 1 1 1019 . 8 1 1 A 115 115 PRO CA C 93 63.246 65.057 -1.811 1 1 1020 . 8 1 1 A 115 115 PRO CB C 93 32.152 31.989 0.163 1 1 1023 . 8 1 1 A 116 116 ALA H H 94 8.429 7.851 0.578 1 1 1024 . 8 1 1 A 116 116 ALA HA H 94 4.615 4.531 0.084 1 1 1028 . 8 1 1 A 116 116 ALA C C 94 177.230 176.647 0.583 1 1 1029 . 8 1 1 A 116 116 ALA CA C 94 51.966 54.302 -2.336 1 1 1030 . 8 1 1 A 116 116 ALA CB C 94 20.497 18.129 2.368 1 1 1031 . 8 1 1 A 116 116 ALA N N 94 125.566 118.606 6.960 1 1 1032 . 8 1 1 A 117 117 GLU H H 95 8.754 9.087 -0.333 1 1 1033 . 8 1 1 A 117 117 GLU HA H 95 4.479 4.122 0.357 1 1 1038 . 8 1 1 A 117 117 GLU CA C 95 56.146 57.246 -1.100 1 1 1039 . 8 1 1 A 117 117 GLU CB C 95 30.856 28.178 2.678 1 1 11 . 9 1 1 A 24 24 PHE H H 2 8.940 8.129 0.811 1 1 12 . 9 1 1 A 24 24 PHE HA H 2 4.540 4.775 -0.235 1 1 17 . 9 1 1 A 24 24 PHE C C 2 173.640 175.546 -1.906 1 1 18 . 9 1 1 A 24 24 PHE CA C 2 58.262 58.006 0.256 1 1 19 . 9 1 1 A 24 24 PHE CB C 2 40.639 39.936 0.703 1 1 20 . 9 1 1 A 24 24 PHE N N 2 121.410 124.311 -2.901 1 1 21 . 9 1 1 A 25 25 ARG H H 3 8.559 8.783 -0.224 1 1 22 . 9 1 1 A 25 25 ARG HA H 3 5.932 5.153 0.779 1 1 29 . 9 1 1 A 25 25 ARG C C 3 175.870 174.350 1.520 1 1 30 . 9 1 1 A 25 25 ARG CA C 3 53.965 55.056 -1.091 1 1 31 . 9 1 1 A 25 25 ARG CB C 3 34.959 33.523 1.436 1 1 34 . 9 1 1 A 25 25 ARG N N 3 123.288 121.208 2.080 1 1 35 . 9 1 1 A 26 26 SER H H 4 9.096 8.955 0.141 1 1 36 . 9 1 1 A 26 26 SER HA H 4 5.306 5.520 -0.214 1 1 39 . 9 1 1 A 26 26 SER C C 4 173.230 172.808 0.422 1 1 40 . 9 1 1 A 26 26 SER CA C 4 56.908 56.385 0.523 1 1 41 . 9 1 1 A 26 26 SER CB C 4 66.846 66.674 0.172 1 1 42 . 9 1 1 A 26 26 SER N N 4 120.152 119.807 0.345 1 1 43 . 9 1 1 A 27 27 THR H H 5 8.889 8.936 -0.047 1 1 44 . 9 1 1 A 27 27 THR HA H 5 6.172 5.582 0.590 1 1 49 . 9 1 1 A 27 27 THR C C 5 173.740 172.244 1.496 1 1 50 . 9 1 1 A 27 27 THR CA C 5 59.621 60.797 -1.176 1 1 51 . 9 1 1 A 27 27 THR CB C 5 75.444 71.514 3.930 1 1 53 . 9 1 1 A 27 27 THR N N 5 112.196 114.752 -2.556 1 1 54 . 9 1 1 A 28 28 SER H H 6 8.945 9.049 -0.104 1 1 55 . 9 1 1 A 28 28 SER HA H 6 4.643 5.409 -0.766 1 1 58 . 9 1 1 A 28 28 SER C C 6 173.400 172.796 0.604 1 1 59 . 9 1 1 A 28 28 SER CA C 6 57.727 56.939 0.788 1 1 60 . 9 1 1 A 28 28 SER CB C 6 65.115 64.515 0.600 1 1 61 . 9 1 1 A 28 28 SER N N 6 115.468 121.928 -6.460 1 1 62 . 9 1 1 A 29 29 HIS H H 7 8.713 9.027 -0.314 1 1 63 . 9 1 1 A 29 29 HIS HA H 7 5.046 5.492 -0.446 1 1 67 . 9 1 1 A 29 29 HIS C C 7 175.330 173.729 1.601 1 1 68 . 9 1 1 A 29 29 HIS CA C 7 55.507 53.823 1.684 1 1 69 . 9 1 1 A 29 29 HIS CB C 7 31.214 32.594 -1.380 1 1 70 . 9 1 1 A 29 29 HIS N N 7 130.131 127.794 2.337 1 1 71 . 9 1 1 A 30 30 VAL H H 8 9.318 8.949 0.369 1 1 72 . 9 1 1 A 30 30 VAL HA H 8 4.431 4.781 -0.350 1 1 80 . 9 1 1 A 30 30 VAL C C 8 175.620 174.806 0.814 1 1 81 . 9 1 1 A 30 30 VAL CA C 8 61.142 60.302 0.840 1 1 82 . 9 1 1 A 30 30 VAL CB C 8 33.063 35.785 -2.722 1 1 85 . 9 1 1 A 30 30 VAL N N 8 128.679 126.805 1.874 1 1 86 . 9 1 1 A 31 31 ARG H H 9 9.212 8.648 0.564 1 1 87 . 9 1 1 A 31 31 ARG HA H 9 4.517 5.044 -0.527 1 1 94 . 9 1 1 A 31 31 ARG C C 9 176.520 175.934 0.586 1 1 95 . 9 1 1 A 31 31 ARG CA C 9 57.458 55.337 2.121 1 1 96 . 9 1 1 A 31 31 ARG CB C 9 29.842 30.766 -0.924 1 1 99 . 9 1 1 A 31 31 ARG N N 9 128.640 125.673 2.967 1 1 100 . 9 1 1 A 32 32 THR H H 10 7.941 8.935 -0.994 1 1 101 . 9 1 1 A 32 32 THR HA H 10 4.627 5.079 -0.452 1 1 105 . 9 1 1 A 32 32 THR C C 10 172.560 172.800 -0.240 1 1 106 . 9 1 1 A 32 32 THR CA C 10 61.473 59.963 1.510 1 1 107 . 9 1 1 A 32 32 THR CB C 10 66.191 73.133 -6.942 1 1 109 . 9 1 1 A 32 32 THR N N 10 120.036 118.602 1.434 1 1 110 . 9 1 1 A 33 33 GLU H H 11 9.022 8.971 0.051 1 1 111 . 9 1 1 A 33 33 GLU HA H 11 4.731 4.810 -0.079 1 1 116 . 9 1 1 A 33 33 GLU C C 11 177.810 176.861 0.949 1 1 117 . 9 1 1 A 33 33 GLU CA C 11 57.466 55.386 2.080 1 1 118 . 9 1 1 A 33 33 GLU CB C 11 30.044 31.756 -1.712 1 1 120 . 9 1 1 A 33 33 GLU N N 11 126.859 123.453 3.406 1 1 121 . 9 1 1 A 34 34 SER H H 12 8.930 9.302 -0.372 1 1 122 . 9 1 1 A 34 34 SER HA H 12 4.795 4.102 0.693 1 1 125 . 9 1 1 A 34 34 SER C C 12 173.360 174.472 -1.112 1 1 126 . 9 1 1 A 34 34 SER CA C 12 56.842 59.000 -2.158 1 1 127 . 9 1 1 A 34 34 SER CB C 12 63.756 62.563 1.193 1 1 128 . 9 1 1 A 34 34 SER N N 12 119.717 118.618 1.099 1 1 129 . 9 1 1 A 35 35 ALA H H 13 8.756 7.746 1.010 1 1 130 . 9 1 1 A 35 35 ALA HA H 13 3.542 3.835 -0.293 1 1 134 . 9 1 1 A 35 35 ALA C C 13 178.560 179.105 -0.545 1 1 135 . 9 1 1 A 35 35 ALA CA C 13 56.288 55.098 1.190 1 1 136 . 9 1 1 A 35 35 ALA CB C 13 21.558 18.753 2.805 1 1 137 . 9 1 1 A 35 35 ALA N N 13 121.856 122.646 -0.790 1 1 138 . 9 1 1 A 36 36 ALA H H 14 8.442 8.135 0.307 1 1 139 . 9 1 1 A 36 36 ALA HA H 14 3.691 4.240 -0.549 1 1 143 . 9 1 1 A 36 36 ALA C C 14 179.900 179.626 0.274 1 1 144 . 9 1 1 A 36 36 ALA CA C 14 55.754 54.777 0.977 1 1 145 . 9 1 1 A 36 36 ALA CB C 14 17.368 18.281 -0.913 1 1 146 . 9 1 1 A 36 36 ALA N N 14 117.191 119.307 -2.116 1 1 147 . 9 1 1 A 37 37 ARG H H 15 7.513 7.279 0.234 1 1 148 . 9 1 1 A 37 37 ARG HA H 15 4.097 4.077 0.020 1 1 155 . 9 1 1 A 37 37 ARG C C 15 178.720 178.642 0.078 1 1 156 . 9 1 1 A 37 37 ARG CA C 15 58.699 58.688 0.011 1 1 157 . 9 1 1 A 37 37 ARG CB C 15 30.024 29.928 0.096 1 1 160 . 9 1 1 A 37 37 ARG N N 15 118.952 118.728 0.224 1 1 161 . 9 1 1 A 38 38 TYR H H 16 7.632 7.902 -0.270 1 1 162 . 9 1 1 A 38 38 TYR HA H 16 4.433 4.360 0.073 1 1 166 . 9 1 1 A 38 38 TYR C C 16 178.110 178.289 -0.179 1 1 167 . 9 1 1 A 38 38 TYR CA C 16 58.473 60.983 -2.510 1 1 168 . 9 1 1 A 38 38 TYR CB C 16 36.286 37.612 -1.326 1 1 169 . 9 1 1 A 38 38 TYR N N 16 118.516 119.314 -0.798 1 1 170 . 9 1 1 A 39 39 VAL H H 17 8.680 7.633 1.047 1 1 171 . 9 1 1 A 39 39 VAL HA H 17 3.491 3.726 -0.235 1 1 179 . 9 1 1 A 39 39 VAL C C 17 177.450 178.145 -0.695 1 1 180 . 9 1 1 A 39 39 VAL CA C 17 68.093 66.365 1.728 1 1 181 . 9 1 1 A 39 39 VAL CB C 17 31.943 31.725 0.218 1 1 184 . 9 1 1 A 39 39 VAL N N 17 119.126 120.433 -1.307 1 1 185 . 9 1 1 A 40 40 ASN H H 18 7.813 7.991 -0.178 1 1 186 . 9 1 1 A 40 40 ASN HA H 18 4.280 4.509 -0.229 1 1 189 . 9 1 1 A 40 40 ASN C C 18 177.190 178.024 -0.834 1 1 190 . 9 1 1 A 40 40 ASN CA C 18 57.525 56.540 0.985 1 1 191 . 9 1 1 A 40 40 ASN CB C 18 39.474 37.820 1.654 1 1 192 . 9 1 1 A 40 40 ASN N N 18 118.013 117.307 0.706 1 1 193 . 9 1 1 A 41 41 ARG H H 19 8.425 8.170 0.255 1 1 194 . 9 1 1 A 41 41 ARG HA H 19 4.010 4.162 -0.152 1 1 201 . 9 1 1 A 41 41 ARG C C 19 180.050 179.117 0.933 1 1 202 . 9 1 1 A 41 41 ARG CA C 19 59.734 58.688 1.046 1 1 203 . 9 1 1 A 41 41 ARG CB C 19 30.877 29.882 0.995 1 1 206 . 9 1 1 A 41 41 ARG N N 19 116.687 120.807 -4.120 1 1 207 . 9 1 1 A 42 42 LEU H H 20 8.731 7.725 1.006 1 1 208 . 9 1 1 A 42 42 LEU HA H 20 3.904 4.184 -0.280 1 1 218 . 9 1 1 A 42 42 LEU C C 20 178.690 178.889 -0.199 1 1 219 . 9 1 1 A 42 42 LEU CA C 20 58.238 57.855 0.383 1 1 220 . 9 1 1 A 42 42 LEU CB C 20 41.659 41.880 -0.221 1 1 224 . 9 1 1 A 42 42 LEU N N 20 120.849 119.965 0.884 1 1 225 . 9 1 1 A 43 43 CYS H H 21 8.241 8.330 -0.089 1 1 226 . 9 1 1 A 43 43 CYS HA H 21 4.268 4.108 0.160 1 1 229 . 9 1 1 A 43 43 CYS C C 21 177.530 176.668 0.862 1 1 230 . 9 1 1 A 43 43 CYS CA C 21 65.374 63.343 2.031 1 1 231 . 9 1 1 A 43 43 CYS CB C 21 27.962 27.168 0.794 1 1 232 . 9 1 1 A 43 43 CYS N N 21 115.952 116.935 -0.983 1 1 233 . 9 1 1 A 44 44 LYS H H 22 8.364 7.780 0.584 1 1 234 . 9 1 1 A 44 44 LYS HA H 22 4.091 4.262 -0.171 1 1 243 . 9 1 1 A 44 44 LYS C C 22 179.020 178.657 0.363 1 1 244 . 9 1 1 A 44 44 LYS CA C 22 59.004 57.524 1.480 1 1 245 . 9 1 1 A 44 44 LYS CB C 22 31.921 32.687 -0.766 1 1 249 . 9 1 1 A 44 44 LYS N N 22 119.823 119.536 0.287 1 1 250 . 9 1 1 A 45 45 HIS H H 23 8.036 8.210 -0.174 1 1 251 . 9 1 1 A 45 45 HIS HA H 23 4.408 4.109 0.299 1 1 255 . 9 1 1 A 45 45 HIS C C 23 177.870 176.900 0.970 1 1 256 . 9 1 1 A 45 45 HIS CA C 23 60.404 59.280 1.124 1 1 257 . 9 1 1 A 45 45 HIS CB C 23 30.954 30.457 0.497 1 1 258 . 9 1 1 A 45 45 HIS N N 23 118.729 120.845 -2.116 1 1 259 . 9 1 1 A 46 46 TRP H H 24 8.426 8.526 -0.100 1 1 260 . 9 1 1 A 46 46 TRP HA H 24 4.903 4.686 0.217 1 1 265 . 9 1 1 A 46 46 TRP C C 24 177.900 177.575 0.325 1 1 266 . 9 1 1 A 46 46 TRP CA C 24 58.973 59.412 -0.439 1 1 267 . 9 1 1 A 46 46 TRP CB C 24 29.328 29.394 -0.066 1 1 268 . 9 1 1 A 46 46 TRP N N 24 117.297 116.373 0.924 1 1 270 . 9 1 1 A 47 47 GLY H H 25 8.254 8.445 -0.191 1 1 271 . 9 1 1 A 47 47 GLY HA2 H 25 4.362 4.019 0.343 1 1 272 . 9 1 1 A 47 47 GLY HA3 H 25 3.936 4.086 -0.150 1 1 273 . 9 1 1 A 47 47 GLY CA C 25 46.812 47.431 -0.619 1 1 274 . 9 1 1 A 47 47 GLY N N 25 108.683 108.529 0.154 1 1 275 . 9 1 1 A 48 48 HIS C C 26 176.030 175.632 0.398 1 1 276 . 9 1 1 A 48 48 HIS CA C 26 58.358 57.590 0.768 1 1 277 . 9 1 1 A 48 48 HIS CB C 26 30.438 31.492 -1.054 1 1 278 . 9 1 1 A 49 49 LYS H H 27 7.544 8.030 -0.486 1 1 279 . 9 1 1 A 49 49 LYS HA H 27 4.236 4.372 -0.136 1 1 288 . 9 1 1 A 49 49 LYS C C 27 174.880 174.441 0.439 1 1 289 . 9 1 1 A 49 49 LYS CA C 27 56.572 55.348 1.224 1 1 290 . 9 1 1 A 49 49 LYS CB C 27 35.793 33.937 1.856 1 1 294 . 9 1 1 A 49 49 LYS N N 27 117.278 118.746 -1.468 1 1 295 . 9 1 1 A 50 50 PHE H H 28 8.178 7.727 0.451 1 1 296 . 9 1 1 A 50 50 PHE HA H 28 5.016 5.054 -0.038 1 1 301 . 9 1 1 A 50 50 PHE C C 28 174.190 174.701 -0.511 1 1 302 . 9 1 1 A 50 50 PHE CA C 28 55.756 56.451 -0.695 1 1 303 . 9 1 1 A 50 50 PHE CB C 28 41.140 43.299 -2.159 1 1 304 . 9 1 1 A 50 50 PHE N N 28 118.846 119.097 -0.251 1 1 305 . 9 1 1 A 51 51 GLU H H 29 7.812 8.499 -0.687 1 1 306 . 9 1 1 A 51 51 GLU HA H 29 4.449 4.636 -0.187 1 1 311 . 9 1 1 A 51 51 GLU C C 29 175.570 175.990 -0.420 1 1 312 . 9 1 1 A 51 51 GLU CA C 29 56.852 56.043 0.809 1 1 313 . 9 1 1 A 51 51 GLU CB C 29 30.207 30.063 0.144 1 1 315 . 9 1 1 A 51 51 GLU N N 29 120.355 120.993 -0.638 1 1 316 . 9 1 1 A 52 52 VAL H H 30 8.395 8.974 -0.579 1 1 317 . 9 1 1 A 52 52 VAL HA H 30 5.383 5.498 -0.115 1 1 325 . 9 1 1 A 52 52 VAL C C 30 175.850 174.597 1.253 1 1 326 . 9 1 1 A 52 52 VAL CA C 30 59.969 60.459 -0.490 1 1 327 . 9 1 1 A 52 52 VAL CB C 30 36.173 34.073 2.100 1 1 330 . 9 1 1 A 52 52 VAL N N 30 124.120 121.092 3.028 1 1 331 . 9 1 1 A 53 53 GLU H H 31 9.289 9.175 0.114 1 1 332 . 9 1 1 A 53 53 GLU HA H 31 4.717 4.960 -0.243 1 1 337 . 9 1 1 A 53 53 GLU C C 31 174.370 175.186 -0.816 1 1 338 . 9 1 1 A 53 53 GLU CA C 31 55.415 55.987 -0.572 1 1 339 . 9 1 1 A 53 53 GLU CB C 31 33.211 31.656 1.555 1 1 341 . 9 1 1 A 53 53 GLU N N 31 126.346 127.043 -0.697 1 1 342 . 9 1 1 A 54 54 LEU H H 32 8.763 8.933 -0.170 1 1 343 . 9 1 1 A 54 54 LEU HA H 32 5.375 5.132 0.243 1 1 353 . 9 1 1 A 54 54 LEU C C 32 175.100 175.638 -0.538 1 1 354 . 9 1 1 A 54 54 LEU CA C 32 55.010 53.805 1.205 1 1 355 . 9 1 1 A 54 54 LEU CB C 32 45.485 44.568 0.917 1 1 359 . 9 1 1 A 54 54 LEU N N 32 126.898 126.030 0.868 1 1 360 . 9 1 1 A 55 55 THR H H 33 9.159 8.056 1.103 1 1 361 . 9 1 1 A 55 55 THR HA H 33 4.886 5.045 -0.159 1 1 366 . 9 1 1 A 55 55 THR CA C 33 59.489 58.732 0.757 1 1 367 . 9 1 1 A 55 55 THR CB C 33 69.241 70.186 -0.945 1 1 369 . 9 1 1 A 55 55 THR N N 33 121.246 116.775 4.471 1 1 370 . 9 1 1 A 56 56 PRO HA H 34 4.269 4.609 -0.340 1 1 377 . 9 1 1 A 56 56 PRO C C 34 177.750 175.732 2.018 1 1 378 . 9 1 1 A 56 56 PRO CA C 34 65.968 62.905 3.063 1 1 379 . 9 1 1 A 56 56 PRO CB C 34 31.786 29.888 1.898 1 1 382 . 9 1 1 A 57 57 GLU H H 35 8.148 8.232 -0.084 1 1 383 . 9 1 1 A 57 57 GLU HA H 35 4.351 4.528 -0.177 1 1 388 . 9 1 1 A 57 57 GLU C C 35 175.720 176.058 -0.338 1 1 389 . 9 1 1 A 57 57 GLU CA C 35 57.085 56.827 0.258 1 1 390 . 9 1 1 A 57 57 GLU CB C 35 30.299 32.567 -2.268 1 1 392 . 9 1 1 A 57 57 GLU N N 35 112.303 120.438 -8.135 1 1 393 . 9 1 1 A 58 58 ARG H H 36 7.777 7.842 -0.065 1 1 394 . 9 1 1 A 58 58 ARG HA H 36 5.418 5.145 0.273 1 1 401 . 9 1 1 A 58 58 ARG C C 36 173.610 173.993 -0.383 1 1 402 . 9 1 1 A 58 58 ARG CA C 36 55.576 55.054 0.522 1 1 403 . 9 1 1 A 58 58 ARG CB C 36 33.324 32.606 0.718 1 1 406 . 9 1 1 A 58 58 ARG N N 36 122.018 115.263 6.755 1 1 407 . 9 1 1 A 59 59 GLY H H 37 9.650 8.635 1.015 1 1 408 . 9 1 1 A 59 59 GLY HA2 H 37 5.484 4.264 1.220 1 1 409 . 9 1 1 A 59 59 GLY HA3 H 37 3.554 4.271 -0.717 1 1 410 . 9 1 1 A 59 59 GLY C C 37 171.630 171.942 -0.312 1 1 411 . 9 1 1 A 59 59 GLY CA C 37 44.563 44.567 -0.004 1 1 412 . 9 1 1 A 59 59 GLY N N 37 113.745 106.902 6.843 1 1 413 . 9 1 1 A 60 60 PHE H H 38 9.138 8.912 0.226 1 1 414 . 9 1 1 A 60 60 PHE HA H 38 5.472 5.127 0.345 1 1 419 . 9 1 1 A 60 60 PHE C C 38 173.180 174.195 -1.015 1 1 420 . 9 1 1 A 60 60 PHE CA C 38 57.234 56.325 0.909 1 1 421 . 9 1 1 A 60 60 PHE CB C 38 43.107 41.507 1.600 1 1 422 . 9 1 1 A 60 60 PHE N N 38 124.144 125.948 -1.804 1 1 423 . 9 1 1 A 61 61 ILE H H 39 8.618 8.336 0.282 1 1 424 . 9 1 1 A 61 61 ILE HA H 39 4.226 4.898 -0.672 1 1 434 . 9 1 1 A 61 61 ILE C C 39 172.950 173.896 -0.946 1 1 435 . 9 1 1 A 61 61 ILE CA C 39 60.357 60.511 -0.154 1 1 436 . 9 1 1 A 61 61 ILE CB C 39 41.488 39.873 1.615 1 1 440 . 9 1 1 A 61 61 ILE N N 39 126.753 127.312 -0.559 1 1 441 . 9 1 1 A 62 62 ASP H H 40 8.192 7.981 0.211 1 1 442 . 9 1 1 A 62 62 ASP HA H 40 4.464 5.166 -0.702 1 1 445 . 9 1 1 A 62 62 ASP C C 40 176.240 175.916 0.324 1 1 446 . 9 1 1 A 62 62 ASP CA C 40 52.208 52.396 -0.188 1 1 447 . 9 1 1 A 62 62 ASP CB C 40 41.489 41.998 -0.509 1 1 448 . 9 1 1 A 62 62 ASP N N 40 124.314 128.238 -3.924 1 1 449 . 9 1 1 A 63 63 PHE H H 41 8.165 9.116 -0.951 1 1 450 . 9 1 1 A 63 63 PHE HA H 41 4.007 4.457 -0.450 1 1 454 . 9 1 1 A 63 63 PHE C C 41 175.640 175.908 -0.268 1 1 455 . 9 1 1 A 63 63 PHE CA C 41 58.407 60.114 -1.707 1 1 456 . 9 1 1 A 63 63 PHE CB C 41 38.486 39.372 -0.886 1 1 457 . 9 1 1 A 63 63 PHE N N 41 123.395 124.076 -0.681 1 1 458 . 9 1 1 A 64 64 GLY H H 42 9.003 7.963 1.040 1 1 459 . 9 1 1 A 64 64 GLY HA2 H 42 4.675 4.080 0.595 1 1 460 . 9 1 1 A 64 64 GLY HA3 H 42 3.484 4.122 -0.638 1 1 461 . 9 1 1 A 64 64 GLY CA C 42 45.938 45.953 -0.015 1 1 462 . 9 1 1 A 64 64 GLY N N 42 112.196 107.428 4.768 1 1 463 . 9 1 1 A 65 65 ASP HA H 43 4.675 4.773 -0.098 1 1 466 . 9 1 1 A 65 65 ASP C C 43 176.170 174.601 1.569 1 1 467 . 9 1 1 A 65 65 ASP CA C 43 55.415 53.616 1.799 1 1 468 . 9 1 1 A 65 65 ASP CB C 43 41.379 39.700 1.679 1 1 469 . 9 1 1 A 66 66 SER H H 44 7.743 7.758 -0.015 1 1 470 . 9 1 1 A 66 66 SER HA H 44 5.292 5.140 0.152 1 1 473 . 9 1 1 A 66 66 SER C C 44 172.190 172.051 0.139 1 1 474 . 9 1 1 A 66 66 SER CA C 44 57.890 57.578 0.312 1 1 475 . 9 1 1 A 66 66 SER CB C 44 66.054 65.590 0.464 1 1 476 . 9 1 1 A 66 66 SER N N 44 112.796 111.980 0.816 1 1 477 . 9 1 1 A 67 67 ASN H H 45 9.075 8.879 0.196 1 1 478 . 9 1 1 A 67 67 ASN HA H 45 5.126 5.153 -0.027 1 1 481 . 9 1 1 A 67 67 ASN C C 45 172.300 173.546 -1.246 1 1 482 . 9 1 1 A 67 67 ASN CA C 45 52.997 52.387 0.610 1 1 483 . 9 1 1 A 67 67 ASN CB C 45 42.047 42.972 -0.925 1 1 484 . 9 1 1 A 67 67 ASN N N 45 114.955 116.849 -1.894 1 1 485 . 9 1 1 A 68 68 CYS H H 46 8.757 8.521 0.236 1 1 486 . 9 1 1 A 68 68 CYS HA H 46 5.652 4.915 0.737 1 1 489 . 9 1 1 A 68 68 CYS C C 46 170.650 172.929 -2.279 1 1 490 . 9 1 1 A 68 68 CYS CA C 46 56.668 58.411 -1.743 1 1 491 . 9 1 1 A 68 68 CYS CB C 46 31.195 29.263 1.932 1 1 492 . 9 1 1 A 68 68 CYS N N 46 119.184 119.341 -0.157 1 1 493 . 9 1 1 A 69 69 GLU H H 47 9.587 9.608 -0.021 1 1 494 . 9 1 1 A 69 69 GLU HA H 47 5.283 5.595 -0.312 1 1 499 . 9 1 1 A 69 69 GLU C C 47 174.190 174.852 -0.662 1 1 500 . 9 1 1 A 69 69 GLU CA C 47 54.401 55.349 -0.948 1 1 501 . 9 1 1 A 69 69 GLU CB C 47 33.607 32.706 0.901 1 1 503 . 9 1 1 A 69 69 GLU N N 47 131.612 128.857 2.755 1 1 504 . 9 1 1 A 70 70 LEU H H 48 9.523 8.458 1.065 1 1 505 . 9 1 1 A 70 70 LEU HA H 48 5.314 5.001 0.313 1 1 515 . 9 1 1 A 70 70 LEU C C 48 174.730 174.264 0.466 1 1 516 . 9 1 1 A 70 70 LEU CA C 48 53.570 54.198 -0.628 1 1 517 . 9 1 1 A 70 70 LEU CB C 48 46.109 45.293 0.816 1 1 521 . 9 1 1 A 70 70 LEU N N 48 125.069 124.931 0.138 1 1 522 . 9 1 1 A 71 71 LEU H H 49 9.493 9.403 0.090 1 1 523 . 9 1 1 A 71 71 LEU HA H 49 5.001 5.168 -0.167 1 1 533 . 9 1 1 A 71 71 LEU C C 49 175.310 175.358 -0.048 1 1 534 . 9 1 1 A 71 71 LEU CA C 49 53.809 54.589 -0.780 1 1 535 . 9 1 1 A 71 71 LEU CB C 49 42.880 43.892 -1.012 1 1 539 . 9 1 1 A 71 71 LEU N N 49 123.714 128.573 -4.859 1 1 540 . 9 1 1 A 72 72 ALA H H 50 8.255 8.350 -0.095 1 1 541 . 9 1 1 A 72 72 ALA HA H 50 4.307 5.169 -0.862 1 1 545 . 9 1 1 A 72 72 ALA C C 50 174.800 175.282 -0.482 1 1 546 . 9 1 1 A 72 72 ALA CA C 50 51.618 51.336 0.282 1 1 547 . 9 1 1 A 72 72 ALA CB C 50 18.634 21.500 -2.866 1 1 548 . 9 1 1 A 72 72 ALA N N 50 125.398 128.288 -2.890 1 1 549 . 9 1 1 A 73 73 HIS H H 51 8.053 9.469 -1.416 1 1 550 . 9 1 1 A 73 73 HIS HA H 51 4.953 4.942 0.011 1 1 554 . 9 1 1 A 73 73 HIS CA C 51 54.682 53.952 0.730 1 1 555 . 9 1 1 A 73 73 HIS CB C 51 31.150 32.107 -0.957 1 1 556 . 9 1 1 A 73 73 HIS N N 51 123.172 123.821 -0.649 1 1 557 . 9 1 1 A 74 74 PRO HA H 52 4.385 4.140 0.245 1 1 564 . 9 1 1 A 74 74 PRO C C 52 176.370 176.891 -0.521 1 1 565 . 9 1 1 A 74 74 PRO CA C 52 65.625 64.991 0.634 1 1 566 . 9 1 1 A 74 74 PRO CB C 52 32.014 31.934 0.080 1 1 569 . 9 1 1 A 75 75 ASP H H 53 8.303 8.238 0.065 1 1 570 . 9 1 1 A 75 75 ASP HA H 53 4.955 5.406 -0.451 1 1 573 . 9 1 1 A 75 75 ASP C C 53 177.380 175.233 2.147 1 1 574 . 9 1 1 A 75 75 ASP CA C 53 52.034 53.351 -1.317 1 1 575 . 9 1 1 A 75 75 ASP CB C 53 41.826 43.048 -1.222 1 1 576 . 9 1 1 A 75 75 ASP N N 53 109.961 117.021 -7.060 1 1 577 . 9 1 1 A 76 76 HIS H H 54 7.379 7.326 0.053 1 1 578 . 9 1 1 A 76 76 HIS HA H 54 5.421 5.485 -0.064 1 1 582 . 9 1 1 A 76 76 HIS C C 54 172.470 172.863 -0.393 1 1 583 . 9 1 1 A 76 76 HIS CA C 54 56.943 54.296 2.647 1 1 584 . 9 1 1 A 76 76 HIS CB C 54 29.909 33.739 -3.830 1 1 585 . 9 1 1 A 76 76 HIS N N 54 114.752 116.365 -1.613 1 1 586 . 9 1 1 A 77 77 VAL H H 55 8.933 8.618 0.315 1 1 587 . 9 1 1 A 77 77 VAL HA H 55 4.837 5.161 -0.324 1 1 595 . 9 1 1 A 77 77 VAL C C 55 173.420 173.964 -0.544 1 1 596 . 9 1 1 A 77 77 VAL CA C 55 59.429 59.889 -0.460 1 1 597 . 9 1 1 A 77 77 VAL CB C 55 35.121 35.677 -0.556 1 1 600 . 9 1 1 A 77 77 VAL N N 55 117.287 119.698 -2.411 1 1 601 . 9 1 1 A 78 78 LEU H H 56 9.004 9.666 -0.662 1 1 602 . 9 1 1 A 78 78 LEU HA H 56 5.466 5.280 0.186 1 1 612 . 9 1 1 A 78 78 LEU C C 56 175.140 175.656 -0.516 1 1 613 . 9 1 1 A 78 78 LEU CA C 56 53.084 53.786 -0.702 1 1 614 . 9 1 1 A 78 78 LEU CB C 56 44.499 45.553 -1.054 1 1 618 . 9 1 1 A 78 78 LEU N N 56 130.334 128.120 2.214 1 1 619 . 9 1 1 A 79 79 MET H H 57 9.381 8.775 0.606 1 1 620 . 9 1 1 A 79 79 MET HA H 57 5.678 5.253 0.425 1 1 625 . 9 1 1 A 79 79 MET C C 57 175.160 174.610 0.550 1 1 626 . 9 1 1 A 79 79 MET CA C 57 54.216 54.373 -0.157 1 1 627 . 9 1 1 A 79 79 MET CB C 57 37.309 35.124 2.185 1 1 629 . 9 1 1 A 79 79 MET N N 57 124.304 122.430 1.874 1 1 630 . 9 1 1 A 80 80 ILE H H 58 9.552 8.719 0.833 1 1 631 . 9 1 1 A 80 80 ILE HA H 58 4.957 5.132 -0.175 1 1 641 . 9 1 1 A 80 80 ILE C C 58 175.160 175.503 -0.343 1 1 642 . 9 1 1 A 80 80 ILE CA C 58 61.338 60.026 1.312 1 1 643 . 9 1 1 A 80 80 ILE CB C 58 41.092 41.396 -0.304 1 1 647 . 9 1 1 A 80 80 ILE N N 58 122.359 124.703 -2.344 1 1 648 . 9 1 1 A 81 81 LEU H H 59 9.549 8.592 0.957 1 1 649 . 9 1 1 A 81 81 LEU HA H 59 5.274 5.224 0.050 1 1 659 . 9 1 1 A 81 81 LEU C C 59 174.280 174.879 -0.599 1 1 660 . 9 1 1 A 81 81 LEU CA C 59 53.621 52.584 1.037 1 1 661 . 9 1 1 A 81 81 LEU CB C 59 46.837 45.673 1.164 1 1 665 . 9 1 1 A 81 81 LEU N N 59 131.901 124.849 7.052 1 1 666 . 9 1 1 A 82 82 ASN H H 60 8.516 8.566 -0.050 1 1 667 . 9 1 1 A 82 82 ASN HA H 60 5.851 5.294 0.557 1 1 670 . 9 1 1 A 82 82 ASN C C 60 174.840 173.899 0.941 1 1 671 . 9 1 1 A 82 82 ASN CA C 60 52.549 51.763 0.786 1 1 672 . 9 1 1 A 82 82 ASN CB C 60 43.188 40.176 3.012 1 1 673 . 9 1 1 A 82 82 ASN N N 60 120.142 120.889 -0.747 1 1 674 . 9 1 1 A 83 83 SER H H 61 9.176 8.465 0.711 1 1 675 . 9 1 1 A 83 83 SER HA H 61 5.295 4.868 0.427 1 1 678 . 9 1 1 A 83 83 SER CA C 61 57.388 55.528 1.860 1 1 679 . 9 1 1 A 83 83 SER CB C 61 68.052 66.048 2.004 1 1 680 . 9 1 1 A 83 83 SER N N 61 116.871 121.552 -4.681 1 1 681 . 9 1 1 A 84 84 PRO HA H 62 4.907 4.020 0.887 1 1 688 . 9 1 1 A 84 84 PRO C C 62 175.210 175.721 -0.511 1 1 689 . 9 1 1 A 84 84 PRO CA C 62 64.539 63.627 0.912 1 1 690 . 9 1 1 A 84 84 PRO CB C 62 32.726 31.658 1.068 1 1 693 . 9 1 1 A 85 85 ASP H H 63 7.228 7.515 -0.287 1 1 694 . 9 1 1 A 85 85 ASP HA H 63 4.630 5.322 -0.692 1 1 697 . 9 1 1 A 85 85 ASP C C 63 174.540 176.054 -1.514 1 1 698 . 9 1 1 A 85 85 ASP CA C 63 53.119 52.650 0.469 1 1 699 . 9 1 1 A 85 85 ASP CB C 63 42.880 44.703 -1.823 1 1 700 . 9 1 1 A 85 85 ASP N N 63 112.313 118.818 -6.505 1 1 701 . 9 1 1 A 86 86 GLU H H 64 8.761 9.467 -0.706 1 1 702 . 9 1 1 A 86 86 GLU HA H 64 3.321 4.118 -0.797 1 1 707 . 9 1 1 A 86 86 GLU C C 64 178.440 178.572 -0.132 1 1 708 . 9 1 1 A 86 86 GLU CA C 64 59.937 59.717 0.220 1 1 709 . 9 1 1 A 86 86 GLU CB C 64 29.707 29.589 0.118 1 1 711 . 9 1 1 A 86 86 GLU N N 64 120.055 122.906 -2.851 1 1 712 . 9 1 1 A 87 87 ASP H H 65 8.332 8.362 -0.030 1 1 713 . 9 1 1 A 87 87 ASP HA H 65 4.414 4.294 0.120 1 1 716 . 9 1 1 A 87 87 ASP C C 65 179.400 178.492 0.908 1 1 717 . 9 1 1 A 87 87 ASP CA C 65 57.203 57.677 -0.474 1 1 718 . 9 1 1 A 87 87 ASP CB C 65 40.323 41.159 -0.836 1 1 719 . 9 1 1 A 87 87 ASP N N 65 121.933 120.444 1.489 1 1 720 . 9 1 1 A 88 88 SER H H 66 8.949 8.122 0.827 1 1 721 . 9 1 1 A 88 88 SER HA H 66 4.169 4.128 0.041 1 1 724 . 9 1 1 A 88 88 SER C C 66 176.110 176.166 -0.056 1 1 725 . 9 1 1 A 88 88 SER CA C 66 62.032 62.338 -0.306 1 1 726 . 9 1 1 A 88 88 SER CB C 66 62.178 63.017 -0.839 1 1 727 . 9 1 1 A 88 88 SER N N 66 119.726 116.551 3.175 1 1 728 . 9 1 1 A 89 89 LEU H H 67 7.737 8.603 -0.866 1 1 729 . 9 1 1 A 89 89 LEU HA H 67 4.017 4.431 -0.414 1 1 739 . 9 1 1 A 89 89 LEU C C 67 177.790 178.121 -0.331 1 1 740 . 9 1 1 A 89 89 LEU CA C 67 57.958 58.359 -0.401 1 1 741 . 9 1 1 A 89 89 LEU CB C 67 42.394 42.247 0.147 1 1 745 . 9 1 1 A 89 89 LEU N N 67 122.942 122.716 0.226 1 1 746 . 9 1 1 A 90 90 ALA H H 68 7.483 9.370 -1.887 1 1 747 . 9 1 1 A 90 90 ALA HA H 68 3.780 3.971 -0.191 1 1 751 . 9 1 1 A 90 90 ALA C C 68 180.410 179.369 1.041 1 1 752 . 9 1 1 A 90 90 ALA CA C 68 54.782 54.656 0.126 1 1 753 . 9 1 1 A 90 90 ALA CB C 68 17.857 18.404 -0.547 1 1 754 . 9 1 1 A 90 90 ALA N N 68 119.446 120.469 -1.023 1 1 755 . 9 1 1 A 91 91 HIS H H 69 7.707 8.155 -0.448 1 1 756 . 9 1 1 A 91 91 HIS HA H 69 4.377 3.963 0.414 1 1 760 . 9 1 1 A 91 91 HIS C C 69 177.865 177.089 0.776 1 1 761 . 9 1 1 A 91 91 HIS CA C 69 59.518 59.573 -0.055 1 1 762 . 9 1 1 A 91 91 HIS CB C 69 30.954 29.539 1.415 1 1 763 . 9 1 1 A 91 91 HIS N N 69 116.881 118.206 -1.325 1 1 764 . 9 1 1 A 92 92 MET H H 70 8.467 8.172 0.295 1 1 765 . 9 1 1 A 92 92 MET HA H 70 4.087 3.943 0.144 1 1 770 . 9 1 1 A 92 92 MET C C 70 178.390 178.005 0.385 1 1 771 . 9 1 1 A 92 92 MET CA C 70 55.584 58.819 -3.235 1 1 772 . 9 1 1 A 92 92 MET CB C 70 29.773 33.345 -3.572 1 1 774 . 9 1 1 A 92 92 MET N N 70 116.968 116.743 0.225 1 1 775 . 9 1 1 A 93 93 GLN H H 71 8.309 8.193 0.116 1 1 776 . 9 1 1 A 93 93 GLN HA H 71 2.874 3.979 -1.105 1 1 781 . 9 1 1 A 93 93 GLN C C 71 178.420 177.992 0.428 1 1 782 . 9 1 1 A 93 93 GLN CA C 71 58.852 58.399 0.453 1 1 783 . 9 1 1 A 93 93 GLN CB C 71 27.658 27.851 -0.193 1 1 785 . 9 1 1 A 93 93 GLN N N 71 120.665 117.210 3.455 1 1 786 . 9 1 1 A 94 94 ASN H H 72 6.899 8.417 -1.518 1 1 787 . 9 1 1 A 94 94 ASN HA H 72 4.596 4.411 0.185 1 1 790 . 9 1 1 A 94 94 ASN C C 72 177.380 177.502 -0.122 1 1 791 . 9 1 1 A 94 94 ASN CA C 72 56.037 56.071 -0.034 1 1 792 . 9 1 1 A 94 94 ASN CB C 72 38.219 38.564 -0.345 1 1 793 . 9 1 1 A 94 94 ASN N N 72 116.271 118.940 -2.669 1 1 794 . 9 1 1 A 95 95 VAL H H 73 8.050 7.680 0.370 1 1 795 . 9 1 1 A 95 95 VAL HA H 73 3.983 3.512 0.471 1 1 803 . 9 1 1 A 95 95 VAL C C 73 180.050 178.157 1.893 1 1 804 . 9 1 1 A 95 95 VAL CA C 73 66.515 65.999 0.516 1 1 805 . 9 1 1 A 95 95 VAL CB C 73 32.587 31.378 1.209 1 1 808 . 9 1 1 A 95 95 VAL N N 73 121.798 119.211 2.587 1 1 809 . 9 1 1 A 96 96 VAL H H 74 9.082 7.704 1.378 1 1 810 . 9 1 1 A 96 96 VAL HA H 74 3.986 2.831 1.155 1 1 818 . 9 1 1 A 96 96 VAL C C 74 177.490 178.001 -0.511 1 1 819 . 9 1 1 A 96 96 VAL CA C 74 67.947 66.073 1.874 1 1 820 . 9 1 1 A 96 96 VAL CB C 74 31.966 31.253 0.713 1 1 823 . 9 1 1 A 96 96 VAL N N 74 120.549 120.606 -0.057 1 1 824 . 9 1 1 A 97 97 ALA H H 75 8.285 7.725 0.560 1 1 825 . 9 1 1 A 97 97 ALA HA H 75 4.108 3.963 0.145 1 1 829 . 9 1 1 A 97 97 ALA C C 75 179.320 179.342 -0.022 1 1 830 . 9 1 1 A 97 97 ALA CA C 75 56.117 54.925 1.192 1 1 831 . 9 1 1 A 97 97 ALA CB C 75 19.867 18.504 1.363 1 1 832 . 9 1 1 A 97 97 ALA N N 75 120.375 121.663 -1.288 1 1 833 . 9 1 1 A 98 98 ASP H H 76 8.522 7.488 1.034 1 1 834 . 9 1 1 A 98 98 ASP HA H 76 4.356 4.409 -0.053 1 1 837 . 9 1 1 A 98 98 ASP C C 76 179.100 178.810 0.290 1 1 838 . 9 1 1 A 98 98 ASP CA C 76 57.252 57.451 -0.199 1 1 839 . 9 1 1 A 98 98 ASP CB C 76 41.335 40.937 0.398 1 1 840 . 9 1 1 A 98 98 ASP N N 76 116.871 118.706 -1.835 1 1 841 . 9 1 1 A 99 99 HIS H H 77 8.162 7.870 0.292 1 1 842 . 9 1 1 A 99 99 HIS HA H 77 3.847 4.390 -0.543 1 1 846 . 9 1 1 A 99 99 HIS C C 77 177.440 178.056 -0.616 1 1 847 . 9 1 1 A 99 99 HIS CA C 77 61.636 59.251 2.385 1 1 848 . 9 1 1 A 99 99 HIS CB C 77 29.328 29.841 -0.513 1 1 849 . 9 1 1 A 99 99 HIS N N 77 116.758 118.640 -1.882 1 1 850 . 9 1 1 A 100 100 LEU H H 78 8.718 8.354 0.364 1 1 851 . 9 1 1 A 100 100 LEU HA H 78 3.862 3.962 -0.100 1 1 861 . 9 1 1 A 100 100 LEU C C 78 177.720 179.411 -1.691 1 1 862 . 9 1 1 A 100 100 LEU CA C 78 58.746 57.543 1.203 1 1 863 . 9 1 1 A 100 100 LEU CB C 78 40.324 41.107 -0.783 1 1 867 . 9 1 1 A 100 100 LEU N N 78 120.332 119.323 1.009 1 1 868 . 9 1 1 A 101 101 GLN H H 79 8.167 8.326 -0.159 1 1 869 . 9 1 1 A 101 101 GLN HA H 79 3.973 3.949 0.024 1 1 874 . 9 1 1 A 101 101 GLN C C 79 178.990 178.383 0.607 1 1 875 . 9 1 1 A 101 101 GLN CA C 79 58.359 59.200 -0.841 1 1 876 . 9 1 1 A 101 101 GLN CB C 79 29.575 28.744 0.831 1 1 878 . 9 1 1 A 101 101 GLN N N 79 115.715 119.784 -4.069 1 1 879 . 9 1 1 A 102 102 ARG H H 80 7.835 7.961 -0.126 1 1 880 . 9 1 1 A 102 102 ARG HA H 80 3.990 4.057 -0.067 1 1 887 . 9 1 1 A 102 102 ARG C C 80 178.540 178.559 -0.019 1 1 888 . 9 1 1 A 102 102 ARG CA C 80 58.789 58.941 -0.152 1 1 889 . 9 1 1 A 102 102 ARG CB C 80 30.218 29.901 0.317 1 1 892 . 9 1 1 A 102 102 ARG N N 80 118.207 120.125 -1.918 1 1 893 . 9 1 1 A 103 103 MET H H 81 7.645 8.035 -0.390 1 1 894 . 9 1 1 A 103 103 MET HA H 81 4.353 4.164 0.189 1 1 899 . 9 1 1 A 103 103 MET C C 81 176.300 175.875 0.425 1 1 900 . 9 1 1 A 103 103 MET CA C 81 55.646 56.673 -1.027 1 1 901 . 9 1 1 A 103 103 MET CB C 81 32.620 31.780 0.840 1 1 903 . 9 1 1 A 103 103 MET N N 81 116.250 115.363 0.887 1 1 904 . 9 1 1 A 104 104 ALA H H 82 7.324 7.528 -0.204 1 1 905 . 9 1 1 A 104 104 ALA HA H 82 4.386 4.685 -0.299 1 1 909 . 9 1 1 A 104 104 ALA CA C 82 51.004 50.845 0.159 1 1 910 . 9 1 1 A 104 104 ALA CB C 82 17.678 20.236 -2.558 1 1 911 . 9 1 1 A 104 104 ALA N N 82 123.602 122.257 1.345 1 1 912 . 9 1 1 A 106 106 SER HA H 84 4.610 4.624 -0.014 1 1 915 . 9 1 1 A 106 106 SER C C 84 173.480 173.492 -0.012 1 1 916 . 9 1 1 A 106 106 SER CA C 84 58.041 59.359 -1.318 1 1 917 . 9 1 1 A 106 106 SER CB C 84 64.139 65.806 -1.667 1 1 918 . 9 1 1 A 107 107 GLU H H 85 7.443 7.804 -0.361 1 1 919 . 9 1 1 A 107 107 GLU HA H 85 4.640 4.667 -0.027 1 1 924 . 9 1 1 A 107 107 GLU CA C 85 55.058 55.211 -0.153 1 1 925 . 9 1 1 A 107 107 GLU CB C 85 32.203 32.009 0.194 1 1 927 . 9 1 1 A 107 107 GLU N N 85 119.316 117.471 1.845 1 1 928 . 9 1 1 A 108 108 SER HA H 86 4.549 4.542 0.007 1 1 931 . 9 1 1 A 108 108 SER C C 86 174.220 173.728 0.492 1 1 932 . 9 1 1 A 108 108 SER CA C 86 57.291 56.958 0.333 1 1 933 . 9 1 1 A 108 108 SER CB C 86 62.819 61.726 1.093 1 1 934 . 9 1 1 A 109 109 LEU H H 87 9.011 8.559 0.452 1 1 935 . 9 1 1 A 109 109 LEU HA H 87 4.606 3.952 0.654 1 1 945 . 9 1 1 A 109 109 LEU C C 87 176.720 176.340 0.380 1 1 946 . 9 1 1 A 109 109 LEU CA C 87 54.024 55.541 -1.517 1 1 947 . 9 1 1 A 109 109 LEU CB C 87 43.358 40.806 2.552 1 1 951 . 9 1 1 A 109 109 LEU N N 87 126.582 124.672 1.910 1 1 952 . 9 1 1 A 110 110 GLU H H 88 8.530 8.894 -0.364 1 1 953 . 9 1 1 A 110 110 GLU HA H 88 4.541 4.564 -0.023 1 1 958 . 9 1 1 A 110 110 GLU C C 88 175.340 175.999 -0.659 1 1 959 . 9 1 1 A 110 110 GLU CA C 88 55.555 56.441 -0.886 1 1 960 . 9 1 1 A 110 110 GLU CB C 88 29.970 29.966 0.004 1 1 962 . 9 1 1 A 110 110 GLU N N 88 123.263 125.567 -2.304 1 1 963 . 9 1 1 A 111 111 ILE H H 89 8.842 8.480 0.362 1 1 964 . 9 1 1 A 111 111 ILE HA H 89 3.911 4.971 -1.060 1 1 974 . 9 1 1 A 111 111 ILE C C 89 173.250 174.067 -0.817 1 1 975 . 9 1 1 A 111 111 ILE CA C 89 61.207 59.266 1.941 1 1 976 . 9 1 1 A 111 111 ILE CB C 89 38.989 41.254 -2.265 1 1 980 . 9 1 1 A 111 111 ILE N N 89 128.558 121.840 6.718 1 1 981 . 9 1 1 A 112 112 ALA H H 90 8.651 8.918 -0.267 1 1 982 . 9 1 1 A 112 112 ALA HA H 90 4.733 4.753 -0.020 1 1 986 . 9 1 1 A 112 112 ALA C C 90 177.040 176.768 0.272 1 1 987 . 9 1 1 A 112 112 ALA CA C 90 50.598 50.267 0.331 1 1 988 . 9 1 1 A 112 112 ALA CB C 90 21.517 19.923 1.594 1 1 989 . 9 1 1 A 112 112 ALA N N 90 131.215 128.173 3.042 1 1 990 . 9 1 1 A 113 113 TRP H H 91 9.084 8.410 0.674 1 1 991 . 9 1 1 A 113 113 TRP HA H 91 5.129 5.261 -0.132 1 1 996 . 9 1 1 A 113 113 TRP C C 91 176.725 176.235 0.490 1 1 997 . 9 1 1 A 113 113 TRP CA C 91 56.263 55.395 0.868 1 1 998 . 9 1 1 A 113 113 TRP CB C 91 31.282 31.130 0.152 1 1 999 . 9 1 1 A 113 113 TRP N N 91 125.391 124.543 0.848 1 1 1001 . 9 1 1 A 114 114 GLN H H 92 9.712 9.242 0.470 1 1 1002 . 9 1 1 A 114 114 GLN HA H 92 5.078 4.597 0.481 1 1 1007 . 9 1 1 A 114 114 GLN CA C 92 52.872 54.176 -1.304 1 1 1008 . 9 1 1 A 114 114 GLN CB C 92 30.288 28.316 1.972 1 1 1010 . 9 1 1 A 114 114 GLN N N 92 122.696 121.293 1.403 1 1 1011 . 9 1 1 A 115 115 PRO HA H 93 4.689 4.607 0.082 1 1 1018 . 9 1 1 A 115 115 PRO C C 93 176.690 177.132 -0.442 1 1 1019 . 9 1 1 A 115 115 PRO CA C 93 63.246 65.307 -2.061 1 1 1020 . 9 1 1 A 115 115 PRO CB C 93 32.152 31.879 0.273 1 1 1023 . 9 1 1 A 116 116 ALA H H 94 8.429 8.014 0.415 1 1 1024 . 9 1 1 A 116 116 ALA HA H 94 4.615 4.652 -0.037 1 1 1028 . 9 1 1 A 116 116 ALA C C 94 177.230 177.123 0.107 1 1 1029 . 9 1 1 A 116 116 ALA CA C 94 51.966 53.517 -1.551 1 1 1030 . 9 1 1 A 116 116 ALA CB C 94 20.497 17.342 3.155 1 1 1031 . 9 1 1 A 116 116 ALA N N 94 125.566 118.845 6.721 1 1 1032 . 9 1 1 A 117 117 GLU H H 95 8.754 8.019 0.735 1 1 1033 . 9 1 1 A 117 117 GLU HA H 95 4.479 4.688 -0.209 1 1 1038 . 9 1 1 A 117 117 GLU CA C 95 56.146 57.920 -1.774 1 1 1039 . 9 1 1 A 117 117 GLU CB C 95 30.856 32.647 -1.791 1 1 11 . 10 1 1 A 24 24 PHE H H 2 8.940 8.228 0.712 1 1 12 . 10 1 1 A 24 24 PHE HA H 2 4.540 5.068 -0.528 1 1 17 . 10 1 1 A 24 24 PHE C C 2 173.640 175.365 -1.725 1 1 18 . 10 1 1 A 24 24 PHE CA C 2 58.262 57.431 0.831 1 1 19 . 10 1 1 A 24 24 PHE CB C 2 40.639 41.366 -0.727 1 1 20 . 10 1 1 A 24 24 PHE N N 2 121.410 123.852 -2.442 1 1 21 . 10 1 1 A 25 25 ARG H H 3 8.559 8.715 -0.156 1 1 22 . 10 1 1 A 25 25 ARG HA H 3 5.932 5.092 0.840 1 1 29 . 10 1 1 A 25 25 ARG C C 3 175.870 174.235 1.635 1 1 30 . 10 1 1 A 25 25 ARG CA C 3 53.965 55.151 -1.186 1 1 31 . 10 1 1 A 25 25 ARG CB C 3 34.959 33.617 1.342 1 1 34 . 10 1 1 A 25 25 ARG N N 3 123.288 121.021 2.267 1 1 35 . 10 1 1 A 26 26 SER H H 4 9.096 8.951 0.145 1 1 36 . 10 1 1 A 26 26 SER HA H 4 5.306 5.507 -0.201 1 1 39 . 10 1 1 A 26 26 SER C C 4 173.230 172.796 0.434 1 1 40 . 10 1 1 A 26 26 SER CA C 4 56.908 56.325 0.583 1 1 41 . 10 1 1 A 26 26 SER CB C 4 66.846 66.531 0.315 1 1 42 . 10 1 1 A 26 26 SER N N 4 120.152 119.789 0.363 1 1 43 . 10 1 1 A 27 27 THR H H 5 8.889 8.896 -0.007 1 1 44 . 10 1 1 A 27 27 THR HA H 5 6.172 5.578 0.594 1 1 49 . 10 1 1 A 27 27 THR C C 5 173.740 172.278 1.462 1 1 50 . 10 1 1 A 27 27 THR CA C 5 59.621 60.806 -1.185 1 1 51 . 10 1 1 A 27 27 THR CB C 5 75.444 71.530 3.914 1 1 53 . 10 1 1 A 27 27 THR N N 5 112.196 114.738 -2.542 1 1 54 . 10 1 1 A 28 28 SER H H 6 8.945 9.109 -0.164 1 1 55 . 10 1 1 A 28 28 SER HA H 6 4.643 5.509 -0.866 1 1 58 . 10 1 1 A 28 28 SER C C 6 173.400 172.797 0.603 1 1 59 . 10 1 1 A 28 28 SER CA C 6 57.727 56.860 0.867 1 1 60 . 10 1 1 A 28 28 SER CB C 6 65.115 64.446 0.669 1 1 61 . 10 1 1 A 28 28 SER N N 6 115.468 122.072 -6.604 1 1 62 . 10 1 1 A 29 29 HIS H H 7 8.713 9.009 -0.296 1 1 63 . 10 1 1 A 29 29 HIS HA H 7 5.046 5.449 -0.403 1 1 67 . 10 1 1 A 29 29 HIS C C 7 175.330 173.746 1.584 1 1 68 . 10 1 1 A 29 29 HIS CA C 7 55.507 54.060 1.447 1 1 69 . 10 1 1 A 29 29 HIS CB C 7 31.214 32.749 -1.535 1 1 70 . 10 1 1 A 29 29 HIS N N 7 130.131 128.005 2.126 1 1 71 . 10 1 1 A 30 30 VAL H H 8 9.318 8.613 0.705 1 1 72 . 10 1 1 A 30 30 VAL HA H 8 4.431 4.827 -0.396 1 1 80 . 10 1 1 A 30 30 VAL C C 8 175.620 174.725 0.895 1 1 81 . 10 1 1 A 30 30 VAL CA C 8 61.142 60.292 0.850 1 1 82 . 10 1 1 A 30 30 VAL CB C 8 33.063 35.714 -2.651 1 1 85 . 10 1 1 A 30 30 VAL N N 8 128.679 126.416 2.263 1 1 86 . 10 1 1 A 31 31 ARG H H 9 9.212 8.644 0.568 1 1 87 . 10 1 1 A 31 31 ARG HA H 9 4.517 5.029 -0.512 1 1 94 . 10 1 1 A 31 31 ARG C C 9 176.520 175.783 0.737 1 1 95 . 10 1 1 A 31 31 ARG CA C 9 57.458 55.323 2.135 1 1 96 . 10 1 1 A 31 31 ARG CB C 9 29.842 30.870 -1.028 1 1 99 . 10 1 1 A 31 31 ARG N N 9 128.640 125.849 2.791 1 1 100 . 10 1 1 A 32 32 THR H H 10 7.941 8.900 -0.959 1 1 101 . 10 1 1 A 32 32 THR HA H 10 4.627 5.052 -0.425 1 1 105 . 10 1 1 A 32 32 THR C C 10 172.560 172.514 0.046 1 1 106 . 10 1 1 A 32 32 THR CA C 10 61.473 59.807 1.666 1 1 107 . 10 1 1 A 32 32 THR CB C 10 66.191 73.088 -6.897 1 1 109 . 10 1 1 A 32 32 THR N N 10 120.036 118.758 1.278 1 1 110 . 10 1 1 A 33 33 GLU H H 11 9.022 8.943 0.079 1 1 111 . 10 1 1 A 33 33 GLU HA H 11 4.731 4.783 -0.052 1 1 116 . 10 1 1 A 33 33 GLU C C 11 177.810 176.368 1.442 1 1 117 . 10 1 1 A 33 33 GLU CA C 11 57.466 55.274 2.192 1 1 118 . 10 1 1 A 33 33 GLU CB C 11 30.044 31.866 -1.822 1 1 120 . 10 1 1 A 33 33 GLU N N 11 126.859 123.492 3.367 1 1 121 . 10 1 1 A 34 34 SER H H 12 8.930 9.267 -0.337 1 1 122 . 10 1 1 A 34 34 SER HA H 12 4.795 4.106 0.689 1 1 125 . 10 1 1 A 34 34 SER C C 12 173.360 174.469 -1.109 1 1 126 . 10 1 1 A 34 34 SER CA C 12 56.842 58.941 -2.099 1 1 127 . 10 1 1 A 34 34 SER CB C 12 63.756 62.521 1.235 1 1 128 . 10 1 1 A 34 34 SER N N 12 119.717 119.371 0.346 1 1 129 . 10 1 1 A 35 35 ALA H H 13 8.756 7.727 1.029 1 1 130 . 10 1 1 A 35 35 ALA HA H 13 3.542 3.755 -0.213 1 1 134 . 10 1 1 A 35 35 ALA C C 13 178.560 179.262 -0.702 1 1 135 . 10 1 1 A 35 35 ALA CA C 13 56.288 54.979 1.309 1 1 136 . 10 1 1 A 35 35 ALA CB C 13 21.558 18.605 2.953 1 1 137 . 10 1 1 A 35 35 ALA N N 13 121.856 122.443 -0.587 1 1 138 . 10 1 1 A 36 36 ALA H H 14 8.442 8.093 0.349 1 1 139 . 10 1 1 A 36 36 ALA HA H 14 3.691 4.178 -0.487 1 1 143 . 10 1 1 A 36 36 ALA C C 14 179.900 179.619 0.281 1 1 144 . 10 1 1 A 36 36 ALA CA C 14 55.754 54.785 0.969 1 1 145 . 10 1 1 A 36 36 ALA CB C 14 17.368 18.296 -0.928 1 1 146 . 10 1 1 A 36 36 ALA N N 14 117.191 119.284 -2.093 1 1 147 . 10 1 1 A 37 37 ARG H H 15 7.513 7.266 0.247 1 1 148 . 10 1 1 A 37 37 ARG HA H 15 4.097 4.092 0.005 1 1 155 . 10 1 1 A 37 37 ARG C C 15 178.720 178.552 0.168 1 1 156 . 10 1 1 A 37 37 ARG CA C 15 58.699 58.615 0.084 1 1 157 . 10 1 1 A 37 37 ARG CB C 15 30.024 29.756 0.268 1 1 160 . 10 1 1 A 37 37 ARG N N 15 118.952 118.915 0.037 1 1 161 . 10 1 1 A 38 38 TYR H H 16 7.632 7.935 -0.303 1 1 162 . 10 1 1 A 38 38 TYR HA H 16 4.433 4.334 0.099 1 1 166 . 10 1 1 A 38 38 TYR C C 16 178.110 178.373 -0.263 1 1 167 . 10 1 1 A 38 38 TYR CA C 16 58.473 61.033 -2.560 1 1 168 . 10 1 1 A 38 38 TYR CB C 16 36.286 37.798 -1.512 1 1 169 . 10 1 1 A 38 38 TYR N N 16 118.516 119.238 -0.722 1 1 170 . 10 1 1 A 39 39 VAL H H 17 8.680 7.482 1.198 1 1 171 . 10 1 1 A 39 39 VAL HA H 17 3.491 3.777 -0.286 1 1 179 . 10 1 1 A 39 39 VAL C C 17 177.450 178.357 -0.907 1 1 180 . 10 1 1 A 39 39 VAL CA C 17 68.093 66.292 1.801 1 1 181 . 10 1 1 A 39 39 VAL CB C 17 31.943 31.914 0.029 1 1 184 . 10 1 1 A 39 39 VAL N N 17 119.126 120.600 -1.474 1 1 185 . 10 1 1 A 40 40 ASN H H 18 7.813 7.954 -0.141 1 1 186 . 10 1 1 A 40 40 ASN HA H 18 4.280 4.497 -0.217 1 1 189 . 10 1 1 A 40 40 ASN C C 18 177.190 178.573 -1.383 1 1 190 . 10 1 1 A 40 40 ASN CA C 18 57.525 56.447 1.078 1 1 191 . 10 1 1 A 40 40 ASN CB C 18 39.474 37.788 1.686 1 1 192 . 10 1 1 A 40 40 ASN N N 18 118.013 117.808 0.205 1 1 193 . 10 1 1 A 41 41 ARG H H 19 8.425 8.102 0.323 1 1 194 . 10 1 1 A 41 41 ARG HA H 19 4.010 4.164 -0.154 1 1 201 . 10 1 1 A 41 41 ARG C C 19 180.050 179.034 1.016 1 1 202 . 10 1 1 A 41 41 ARG CA C 19 59.734 58.813 0.921 1 1 203 . 10 1 1 A 41 41 ARG CB C 19 30.877 29.839 1.038 1 1 206 . 10 1 1 A 41 41 ARG N N 19 116.687 120.866 -4.179 1 1 207 . 10 1 1 A 42 42 LEU H H 20 8.731 7.943 0.788 1 1 208 . 10 1 1 A 42 42 LEU HA H 20 3.904 4.177 -0.273 1 1 218 . 10 1 1 A 42 42 LEU C C 20 178.690 178.904 -0.214 1 1 219 . 10 1 1 A 42 42 LEU CA C 20 58.238 57.762 0.476 1 1 220 . 10 1 1 A 42 42 LEU CB C 20 41.659 41.743 -0.084 1 1 224 . 10 1 1 A 42 42 LEU N N 20 120.849 119.684 1.165 1 1 225 . 10 1 1 A 43 43 CYS H H 21 8.241 8.271 -0.030 1 1 226 . 10 1 1 A 43 43 CYS HA H 21 4.268 4.015 0.253 1 1 229 . 10 1 1 A 43 43 CYS C C 21 177.530 176.753 0.777 1 1 230 . 10 1 1 A 43 43 CYS CA C 21 65.374 63.442 1.932 1 1 231 . 10 1 1 A 43 43 CYS CB C 21 27.962 27.253 0.709 1 1 232 . 10 1 1 A 43 43 CYS N N 21 115.952 116.922 -0.970 1 1 233 . 10 1 1 A 44 44 LYS H H 22 8.364 7.754 0.610 1 1 234 . 10 1 1 A 44 44 LYS HA H 22 4.091 4.277 -0.186 1 1 243 . 10 1 1 A 44 44 LYS C C 22 179.020 178.751 0.269 1 1 244 . 10 1 1 A 44 44 LYS CA C 22 59.004 57.623 1.381 1 1 245 . 10 1 1 A 44 44 LYS CB C 22 31.921 32.694 -0.773 1 1 249 . 10 1 1 A 44 44 LYS N N 22 119.823 119.517 0.306 1 1 250 . 10 1 1 A 45 45 HIS H H 23 8.036 8.228 -0.192 1 1 251 . 10 1 1 A 45 45 HIS HA H 23 4.408 4.294 0.114 1 1 255 . 10 1 1 A 45 45 HIS C C 23 177.870 177.643 0.227 1 1 256 . 10 1 1 A 45 45 HIS CA C 23 60.404 59.557 0.847 1 1 257 . 10 1 1 A 45 45 HIS CB C 23 30.954 30.723 0.231 1 1 258 . 10 1 1 A 45 45 HIS N N 23 118.729 120.966 -2.237 1 1 259 . 10 1 1 A 46 46 TRP H H 24 8.426 8.481 -0.055 1 1 260 . 10 1 1 A 46 46 TRP HA H 24 4.903 4.485 0.418 1 1 265 . 10 1 1 A 46 46 TRP C C 24 177.900 177.644 0.256 1 1 266 . 10 1 1 A 46 46 TRP CA C 24 58.973 59.111 -0.138 1 1 267 . 10 1 1 A 46 46 TRP CB C 24 29.328 30.054 -0.726 1 1 268 . 10 1 1 A 46 46 TRP N N 24 117.297 120.864 -3.567 1 1 270 . 10 1 1 A 47 47 GLY H H 25 8.254 8.434 -0.180 1 1 271 . 10 1 1 A 47 47 GLY HA2 H 25 4.362 3.781 0.581 1 1 272 . 10 1 1 A 47 47 GLY HA3 H 25 3.936 3.916 0.020 1 1 273 . 10 1 1 A 47 47 GLY CA C 25 46.812 47.114 -0.302 1 1 274 . 10 1 1 A 47 47 GLY N N 25 108.683 106.462 2.221 1 1 275 . 10 1 1 A 48 48 HIS C C 26 176.030 175.023 1.007 1 1 276 . 10 1 1 A 48 48 HIS CA C 26 58.358 55.560 2.798 1 1 277 . 10 1 1 A 48 48 HIS CB C 26 30.438 31.289 -0.851 1 1 278 . 10 1 1 A 49 49 LYS H H 27 7.544 7.281 0.263 1 1 279 . 10 1 1 A 49 49 LYS HA H 27 4.236 4.344 -0.108 1 1 288 . 10 1 1 A 49 49 LYS C C 27 174.880 174.355 0.525 1 1 289 . 10 1 1 A 49 49 LYS CA C 27 56.572 55.291 1.281 1 1 290 . 10 1 1 A 49 49 LYS CB C 27 35.793 33.554 2.239 1 1 294 . 10 1 1 A 49 49 LYS N N 27 117.278 120.152 -2.874 1 1 295 . 10 1 1 A 50 50 PHE H H 28 8.178 7.421 0.757 1 1 296 . 10 1 1 A 50 50 PHE HA H 28 5.016 4.885 0.131 1 1 301 . 10 1 1 A 50 50 PHE C C 28 174.190 174.537 -0.347 1 1 302 . 10 1 1 A 50 50 PHE CA C 28 55.756 55.764 -0.008 1 1 303 . 10 1 1 A 50 50 PHE CB C 28 41.140 42.384 -1.244 1 1 304 . 10 1 1 A 50 50 PHE N N 28 118.846 119.288 -0.442 1 1 305 . 10 1 1 A 51 51 GLU H H 29 7.812 8.347 -0.535 1 1 306 . 10 1 1 A 51 51 GLU HA H 29 4.449 4.433 0.016 1 1 311 . 10 1 1 A 51 51 GLU C C 29 175.570 175.776 -0.206 1 1 312 . 10 1 1 A 51 51 GLU CA C 29 56.852 55.978 0.874 1 1 313 . 10 1 1 A 51 51 GLU CB C 29 30.207 28.709 1.498 1 1 315 . 10 1 1 A 51 51 GLU N N 29 120.355 122.107 -1.752 1 1 316 . 10 1 1 A 52 52 VAL H H 30 8.395 8.407 -0.012 1 1 317 . 10 1 1 A 52 52 VAL HA H 30 5.383 5.650 -0.267 1 1 325 . 10 1 1 A 52 52 VAL C C 30 175.850 174.422 1.428 1 1 326 . 10 1 1 A 52 52 VAL CA C 30 59.969 60.628 -0.659 1 1 327 . 10 1 1 A 52 52 VAL CB C 30 36.173 33.764 2.409 1 1 330 . 10 1 1 A 52 52 VAL N N 30 124.120 121.022 3.098 1 1 331 . 10 1 1 A 53 53 GLU H H 31 9.289 9.056 0.233 1 1 332 . 10 1 1 A 53 53 GLU HA H 31 4.717 5.137 -0.420 1 1 337 . 10 1 1 A 53 53 GLU C C 31 174.370 175.157 -0.787 1 1 338 . 10 1 1 A 53 53 GLU CA C 31 55.415 55.724 -0.309 1 1 339 . 10 1 1 A 53 53 GLU CB C 31 33.211 32.273 0.938 1 1 341 . 10 1 1 A 53 53 GLU N N 31 126.346 126.277 0.069 1 1 342 . 10 1 1 A 54 54 LEU H H 32 8.763 8.771 -0.008 1 1 343 . 10 1 1 A 54 54 LEU HA H 32 5.375 5.052 0.323 1 1 353 . 10 1 1 A 54 54 LEU C C 32 175.100 175.154 -0.054 1 1 354 . 10 1 1 A 54 54 LEU CA C 32 55.010 54.009 1.001 1 1 355 . 10 1 1 A 54 54 LEU CB C 32 45.485 45.083 0.402 1 1 359 . 10 1 1 A 54 54 LEU N N 32 126.898 125.153 1.745 1 1 360 . 10 1 1 A 55 55 THR H H 33 9.159 8.357 0.802 1 1 361 . 10 1 1 A 55 55 THR HA H 33 4.886 5.008 -0.122 1 1 366 . 10 1 1 A 55 55 THR CA C 33 59.489 58.395 1.094 1 1 367 . 10 1 1 A 55 55 THR CB C 33 69.241 69.771 -0.530 1 1 369 . 10 1 1 A 55 55 THR N N 33 121.246 117.262 3.984 1 1 370 . 10 1 1 A 56 56 PRO HA H 34 4.269 4.613 -0.344 1 1 377 . 10 1 1 A 56 56 PRO C C 34 177.750 175.358 2.392 1 1 378 . 10 1 1 A 56 56 PRO CA C 34 65.968 62.755 3.213 1 1 379 . 10 1 1 A 56 56 PRO CB C 34 31.786 29.466 2.320 1 1 382 . 10 1 1 A 57 57 GLU H H 35 8.148 8.750 -0.602 1 1 383 . 10 1 1 A 57 57 GLU HA H 35 4.351 4.523 -0.172 1 1 388 . 10 1 1 A 57 57 GLU C C 35 175.720 175.780 -0.060 1 1 389 . 10 1 1 A 57 57 GLU CA C 35 57.085 56.867 0.218 1 1 390 . 10 1 1 A 57 57 GLU CB C 35 30.299 32.250 -1.951 1 1 392 . 10 1 1 A 57 57 GLU N N 35 112.303 120.447 -8.144 1 1 393 . 10 1 1 A 58 58 ARG H H 36 7.777 7.514 0.263 1 1 394 . 10 1 1 A 58 58 ARG HA H 36 5.418 5.231 0.187 1 1 401 . 10 1 1 A 58 58 ARG C C 36 173.610 173.785 -0.175 1 1 402 . 10 1 1 A 58 58 ARG CA C 36 55.576 54.996 0.580 1 1 403 . 10 1 1 A 58 58 ARG CB C 36 33.324 32.615 0.709 1 1 406 . 10 1 1 A 58 58 ARG N N 36 122.018 114.985 7.033 1 1 407 . 10 1 1 A 59 59 GLY H H 37 9.650 8.599 1.051 1 1 408 . 10 1 1 A 59 59 GLY HA2 H 37 5.484 4.347 1.137 1 1 409 . 10 1 1 A 59 59 GLY HA3 H 37 3.554 4.352 -0.798 1 1 410 . 10 1 1 A 59 59 GLY C C 37 171.630 172.037 -0.407 1 1 411 . 10 1 1 A 59 59 GLY CA C 37 44.563 44.137 0.426 1 1 412 . 10 1 1 A 59 59 GLY N N 37 113.745 106.864 6.881 1 1 413 . 10 1 1 A 60 60 PHE H H 38 9.138 8.661 0.477 1 1 414 . 10 1 1 A 60 60 PHE HA H 38 5.472 5.238 0.234 1 1 419 . 10 1 1 A 60 60 PHE C C 38 173.180 173.853 -0.673 1 1 420 . 10 1 1 A 60 60 PHE CA C 38 57.234 56.149 1.085 1 1 421 . 10 1 1 A 60 60 PHE CB C 38 43.107 42.186 0.921 1 1 422 . 10 1 1 A 60 60 PHE N N 38 124.144 122.858 1.286 1 1 423 . 10 1 1 A 61 61 ILE H H 39 8.618 8.662 -0.044 1 1 424 . 10 1 1 A 61 61 ILE HA H 39 4.226 4.435 -0.209 1 1 434 . 10 1 1 A 61 61 ILE C C 39 172.950 173.877 -0.927 1 1 435 . 10 1 1 A 61 61 ILE CA C 39 60.357 60.398 -0.041 1 1 436 . 10 1 1 A 61 61 ILE CB C 39 41.488 39.476 2.012 1 1 440 . 10 1 1 A 61 61 ILE N N 39 126.753 127.700 -0.947 1 1 441 . 10 1 1 A 62 62 ASP H H 40 8.192 7.806 0.386 1 1 442 . 10 1 1 A 62 62 ASP HA H 40 4.464 5.407 -0.943 1 1 445 . 10 1 1 A 62 62 ASP C C 40 176.240 176.004 0.236 1 1 446 . 10 1 1 A 62 62 ASP CA C 40 52.208 52.080 0.128 1 1 447 . 10 1 1 A 62 62 ASP CB C 40 41.489 42.917 -1.428 1 1 448 . 10 1 1 A 62 62 ASP N N 40 124.314 127.933 -3.619 1 1 449 . 10 1 1 A 63 63 PHE H H 41 8.165 8.853 -0.688 1 1 450 . 10 1 1 A 63 63 PHE HA H 41 4.007 4.555 -0.548 1 1 454 . 10 1 1 A 63 63 PHE C C 41 175.640 175.954 -0.314 1 1 455 . 10 1 1 A 63 63 PHE CA C 41 58.407 59.189 -0.782 1 1 456 . 10 1 1 A 63 63 PHE CB C 41 38.486 39.584 -1.098 1 1 457 . 10 1 1 A 63 63 PHE N N 41 123.395 123.287 0.108 1 1 458 . 10 1 1 A 64 64 GLY H H 42 9.003 8.209 0.794 1 1 459 . 10 1 1 A 64 64 GLY HA2 H 42 4.675 4.040 0.635 1 1 460 . 10 1 1 A 64 64 GLY HA3 H 42 3.484 4.050 -0.566 1 1 461 . 10 1 1 A 64 64 GLY CA C 42 45.938 46.316 -0.378 1 1 462 . 10 1 1 A 64 64 GLY N N 42 112.196 107.578 4.618 1 1 463 . 10 1 1 A 65 65 ASP HA H 43 4.675 4.751 -0.076 1 1 466 . 10 1 1 A 65 65 ASP C C 43 176.170 174.356 1.814 1 1 467 . 10 1 1 A 65 65 ASP CA C 43 55.415 53.512 1.903 1 1 468 . 10 1 1 A 65 65 ASP CB C 43 41.379 39.605 1.774 1 1 469 . 10 1 1 A 66 66 SER H H 44 7.743 7.669 0.074 1 1 470 . 10 1 1 A 66 66 SER HA H 44 5.292 5.004 0.288 1 1 473 . 10 1 1 A 66 66 SER C C 44 172.190 172.371 -0.181 1 1 474 . 10 1 1 A 66 66 SER CA C 44 57.890 57.739 0.151 1 1 475 . 10 1 1 A 66 66 SER CB C 44 66.054 65.794 0.260 1 1 476 . 10 1 1 A 66 66 SER N N 44 112.796 111.219 1.577 1 1 477 . 10 1 1 A 67 67 ASN H H 45 9.075 9.038 0.037 1 1 478 . 10 1 1 A 67 67 ASN HA H 45 5.126 5.289 -0.163 1 1 481 . 10 1 1 A 67 67 ASN C C 45 172.300 173.704 -1.404 1 1 482 . 10 1 1 A 67 67 ASN CA C 45 52.997 52.017 0.980 1 1 483 . 10 1 1 A 67 67 ASN CB C 45 42.047 43.568 -1.521 1 1 484 . 10 1 1 A 67 67 ASN N N 45 114.955 117.177 -2.222 1 1 485 . 10 1 1 A 68 68 CYS H H 46 8.757 8.429 0.328 1 1 486 . 10 1 1 A 68 68 CYS HA H 46 5.652 4.992 0.660 1 1 489 . 10 1 1 A 68 68 CYS C C 46 170.650 172.862 -2.212 1 1 490 . 10 1 1 A 68 68 CYS CA C 46 56.668 58.305 -1.637 1 1 491 . 10 1 1 A 68 68 CYS CB C 46 31.195 29.456 1.739 1 1 492 . 10 1 1 A 68 68 CYS N N 46 119.184 118.881 0.303 1 1 493 . 10 1 1 A 69 69 GLU H H 47 9.587 9.406 0.181 1 1 494 . 10 1 1 A 69 69 GLU HA H 47 5.283 5.673 -0.390 1 1 499 . 10 1 1 A 69 69 GLU C C 47 174.190 175.288 -1.098 1 1 500 . 10 1 1 A 69 69 GLU CA C 47 54.401 55.459 -1.058 1 1 501 . 10 1 1 A 69 69 GLU CB C 47 33.607 32.506 1.101 1 1 503 . 10 1 1 A 69 69 GLU N N 47 131.612 128.884 2.728 1 1 504 . 10 1 1 A 70 70 LEU H H 48 9.523 8.642 0.881 1 1 505 . 10 1 1 A 70 70 LEU HA H 48 5.314 5.294 0.020 1 1 515 . 10 1 1 A 70 70 LEU C C 48 174.730 175.051 -0.321 1 1 516 . 10 1 1 A 70 70 LEU CA C 48 53.570 53.248 0.322 1 1 517 . 10 1 1 A 70 70 LEU CB C 48 46.109 45.087 1.022 1 1 521 . 10 1 1 A 70 70 LEU N N 48 125.069 121.969 3.100 1 1 522 . 10 1 1 A 71 71 LEU H H 49 9.493 9.470 0.023 1 1 523 . 10 1 1 A 71 71 LEU HA H 49 5.001 5.225 -0.224 1 1 533 . 10 1 1 A 71 71 LEU C C 49 175.310 175.006 0.304 1 1 534 . 10 1 1 A 71 71 LEU CA C 49 53.809 53.902 -0.093 1 1 535 . 10 1 1 A 71 71 LEU CB C 49 42.880 44.246 -1.366 1 1 539 . 10 1 1 A 71 71 LEU N N 49 123.714 126.100 -2.386 1 1 540 . 10 1 1 A 72 72 ALA H H 50 8.255 8.731 -0.476 1 1 541 . 10 1 1 A 72 72 ALA HA H 50 4.307 5.035 -0.728 1 1 545 . 10 1 1 A 72 72 ALA C C 50 174.800 175.305 -0.505 1 1 546 . 10 1 1 A 72 72 ALA CA C 50 51.618 51.215 0.403 1 1 547 . 10 1 1 A 72 72 ALA CB C 50 18.634 21.302 -2.668 1 1 548 . 10 1 1 A 72 72 ALA N N 50 125.398 128.303 -2.905 1 1 549 . 10 1 1 A 73 73 HIS H H 51 8.053 9.270 -1.217 1 1 550 . 10 1 1 A 73 73 HIS HA H 51 4.953 4.938 0.015 1 1 554 . 10 1 1 A 73 73 HIS CA C 51 54.682 53.879 0.803 1 1 555 . 10 1 1 A 73 73 HIS CB C 51 31.150 32.462 -1.312 1 1 556 . 10 1 1 A 73 73 HIS N N 51 123.172 123.805 -0.633 1 1 557 . 10 1 1 A 74 74 PRO HA H 52 4.385 4.122 0.263 1 1 564 . 10 1 1 A 74 74 PRO C C 52 176.370 176.856 -0.486 1 1 565 . 10 1 1 A 74 74 PRO CA C 52 65.625 64.938 0.687 1 1 566 . 10 1 1 A 74 74 PRO CB C 52 32.014 31.887 0.127 1 1 569 . 10 1 1 A 75 75 ASP H H 53 8.303 8.134 0.169 1 1 570 . 10 1 1 A 75 75 ASP HA H 53 4.955 5.367 -0.412 1 1 573 . 10 1 1 A 75 75 ASP C C 53 177.380 175.187 2.193 1 1 574 . 10 1 1 A 75 75 ASP CA C 53 52.034 53.348 -1.314 1 1 575 . 10 1 1 A 75 75 ASP CB C 53 41.826 43.005 -1.179 1 1 576 . 10 1 1 A 75 75 ASP N N 53 109.961 116.992 -7.031 1 1 577 . 10 1 1 A 76 76 HIS H H 54 7.379 7.534 -0.155 1 1 578 . 10 1 1 A 76 76 HIS HA H 54 5.421 5.381 0.040 1 1 582 . 10 1 1 A 76 76 HIS C C 54 172.470 172.760 -0.290 1 1 583 . 10 1 1 A 76 76 HIS CA C 54 56.943 54.273 2.670 1 1 584 . 10 1 1 A 76 76 HIS CB C 54 29.909 33.351 -3.442 1 1 585 . 10 1 1 A 76 76 HIS N N 54 114.752 116.326 -1.574 1 1 586 . 10 1 1 A 77 77 VAL H H 55 8.933 8.418 0.515 1 1 587 . 10 1 1 A 77 77 VAL HA H 55 4.837 5.022 -0.185 1 1 595 . 10 1 1 A 77 77 VAL C C 55 173.420 173.856 -0.436 1 1 596 . 10 1 1 A 77 77 VAL CA C 55 59.429 59.812 -0.383 1 1 597 . 10 1 1 A 77 77 VAL CB C 55 35.121 35.567 -0.446 1 1 600 . 10 1 1 A 77 77 VAL N N 55 117.287 119.584 -2.297 1 1 601 . 10 1 1 A 78 78 LEU H H 56 9.004 9.568 -0.564 1 1 602 . 10 1 1 A 78 78 LEU HA H 56 5.466 5.307 0.159 1 1 612 . 10 1 1 A 78 78 LEU C C 56 175.140 175.638 -0.498 1 1 613 . 10 1 1 A 78 78 LEU CA C 56 53.084 53.896 -0.812 1 1 614 . 10 1 1 A 78 78 LEU CB C 56 44.499 45.631 -1.132 1 1 618 . 10 1 1 A 78 78 LEU N N 56 130.334 128.045 2.289 1 1 619 . 10 1 1 A 79 79 MET H H 57 9.381 8.833 0.548 1 1 620 . 10 1 1 A 79 79 MET HA H 57 5.678 5.269 0.409 1 1 625 . 10 1 1 A 79 79 MET C C 57 175.160 174.638 0.522 1 1 626 . 10 1 1 A 79 79 MET CA C 57 54.216 54.421 -0.205 1 1 627 . 10 1 1 A 79 79 MET CB C 57 37.309 35.177 2.132 1 1 629 . 10 1 1 A 79 79 MET N N 57 124.304 122.377 1.927 1 1 630 . 10 1 1 A 80 80 ILE H H 58 9.552 8.947 0.605 1 1 631 . 10 1 1 A 80 80 ILE HA H 58 4.957 5.135 -0.178 1 1 641 . 10 1 1 A 80 80 ILE C C 58 175.160 175.475 -0.315 1 1 642 . 10 1 1 A 80 80 ILE CA C 58 61.338 60.059 1.279 1 1 643 . 10 1 1 A 80 80 ILE CB C 58 41.092 41.482 -0.390 1 1 647 . 10 1 1 A 80 80 ILE N N 58 122.359 124.625 -2.266 1 1 648 . 10 1 1 A 81 81 LEU H H 59 9.549 9.161 0.388 1 1 649 . 10 1 1 A 81 81 LEU HA H 59 5.274 5.255 0.019 1 1 659 . 10 1 1 A 81 81 LEU C C 59 174.280 175.349 -1.069 1 1 660 . 10 1 1 A 81 81 LEU CA C 59 53.621 52.662 0.959 1 1 661 . 10 1 1 A 81 81 LEU CB C 59 46.837 45.251 1.586 1 1 665 . 10 1 1 A 81 81 LEU N N 59 131.901 125.106 6.795 1 1 666 . 10 1 1 A 82 82 ASN H H 60 8.516 8.565 -0.049 1 1 667 . 10 1 1 A 82 82 ASN HA H 60 5.851 5.512 0.339 1 1 670 . 10 1 1 A 82 82 ASN C C 60 174.840 174.056 0.784 1 1 671 . 10 1 1 A 82 82 ASN CA C 60 52.549 52.062 0.487 1 1 672 . 10 1 1 A 82 82 ASN CB C 60 43.188 39.641 3.547 1 1 673 . 10 1 1 A 82 82 ASN N N 60 120.142 119.346 0.796 1 1 674 . 10 1 1 A 83 83 SER H H 61 9.176 8.391 0.785 1 1 675 . 10 1 1 A 83 83 SER HA H 61 5.295 4.931 0.364 1 1 678 . 10 1 1 A 83 83 SER CA C 61 57.388 55.721 1.667 1 1 679 . 10 1 1 A 83 83 SER CB C 61 68.052 66.032 2.020 1 1 680 . 10 1 1 A 83 83 SER N N 61 116.871 119.389 -2.518 1 1 681 . 10 1 1 A 84 84 PRO HA H 62 4.907 4.032 0.875 1 1 688 . 10 1 1 A 84 84 PRO C C 62 175.210 174.767 0.443 1 1 689 . 10 1 1 A 84 84 PRO CA C 62 64.539 63.697 0.842 1 1 690 . 10 1 1 A 84 84 PRO CB C 62 32.726 31.687 1.039 1 1 693 . 10 1 1 A 85 85 ASP H H 63 7.228 7.266 -0.038 1 1 694 . 10 1 1 A 85 85 ASP HA H 63 4.630 5.226 -0.596 1 1 697 . 10 1 1 A 85 85 ASP C C 63 174.540 176.474 -1.934 1 1 698 . 10 1 1 A 85 85 ASP CA C 63 53.119 52.831 0.288 1 1 699 . 10 1 1 A 85 85 ASP CB C 63 42.880 43.575 -0.695 1 1 700 . 10 1 1 A 85 85 ASP N N 63 112.313 112.933 -0.620 1 1 701 . 10 1 1 A 86 86 GLU H H 64 8.761 9.448 -0.687 1 1 702 . 10 1 1 A 86 86 GLU HA H 64 3.321 4.130 -0.809 1 1 707 . 10 1 1 A 86 86 GLU C C 64 178.440 178.651 -0.211 1 1 708 . 10 1 1 A 86 86 GLU CA C 64 59.937 59.638 0.299 1 1 709 . 10 1 1 A 86 86 GLU CB C 64 29.707 29.616 0.091 1 1 711 . 10 1 1 A 86 86 GLU N N 64 120.055 121.806 -1.751 1 1 712 . 10 1 1 A 87 87 ASP H H 65 8.332 8.414 -0.082 1 1 713 . 10 1 1 A 87 87 ASP HA H 65 4.414 4.383 0.031 1 1 716 . 10 1 1 A 87 87 ASP C C 65 179.400 178.605 0.795 1 1 717 . 10 1 1 A 87 87 ASP CA C 65 57.203 57.726 -0.523 1 1 718 . 10 1 1 A 87 87 ASP CB C 65 40.323 41.297 -0.974 1 1 719 . 10 1 1 A 87 87 ASP N N 65 121.933 120.472 1.461 1 1 720 . 10 1 1 A 88 88 SER H H 66 8.949 8.242 0.707 1 1 721 . 10 1 1 A 88 88 SER HA H 66 4.169 4.307 -0.138 1 1 724 . 10 1 1 A 88 88 SER C C 66 176.110 176.300 -0.190 1 1 725 . 10 1 1 A 88 88 SER CA C 66 62.032 62.480 -0.448 1 1 726 . 10 1 1 A 88 88 SER CB C 66 62.178 63.144 -0.966 1 1 727 . 10 1 1 A 88 88 SER N N 66 119.726 116.666 3.060 1 1 728 . 10 1 1 A 89 89 LEU H H 67 7.737 8.963 -1.226 1 1 729 . 10 1 1 A 89 89 LEU HA H 67 4.017 4.421 -0.404 1 1 739 . 10 1 1 A 89 89 LEU C C 67 177.790 178.238 -0.448 1 1 740 . 10 1 1 A 89 89 LEU CA C 67 57.958 58.452 -0.494 1 1 741 . 10 1 1 A 89 89 LEU CB C 67 42.394 42.313 0.081 1 1 745 . 10 1 1 A 89 89 LEU N N 67 122.942 122.825 0.117 1 1 746 . 10 1 1 A 90 90 ALA H H 68 7.483 9.516 -2.033 1 1 747 . 10 1 1 A 90 90 ALA HA H 68 3.780 4.206 -0.426 1 1 751 . 10 1 1 A 90 90 ALA C C 68 180.410 179.682 0.728 1 1 752 . 10 1 1 A 90 90 ALA CA C 68 54.782 54.889 -0.107 1 1 753 . 10 1 1 A 90 90 ALA CB C 68 17.857 18.705 -0.848 1 1 754 . 10 1 1 A 90 90 ALA N N 68 119.446 120.608 -1.162 1 1 755 . 10 1 1 A 91 91 HIS H H 69 7.707 8.366 -0.659 1 1 756 . 10 1 1 A 91 91 HIS HA H 69 4.377 4.174 0.203 1 1 760 . 10 1 1 A 91 91 HIS C C 69 177.865 177.165 0.700 1 1 761 . 10 1 1 A 91 91 HIS CA C 69 59.518 59.846 -0.328 1 1 762 . 10 1 1 A 91 91 HIS CB C 69 30.954 29.885 1.069 1 1 763 . 10 1 1 A 91 91 HIS N N 69 116.881 118.051 -1.170 1 1 764 . 10 1 1 A 92 92 MET H H 70 8.467 8.408 0.059 1 1 765 . 10 1 1 A 92 92 MET HA H 70 4.087 4.111 -0.024 1 1 770 . 10 1 1 A 92 92 MET C C 70 178.390 178.225 0.165 1 1 771 . 10 1 1 A 92 92 MET CA C 70 55.584 58.504 -2.920 1 1 772 . 10 1 1 A 92 92 MET CB C 70 29.773 33.554 -3.781 1 1 774 . 10 1 1 A 92 92 MET N N 70 116.968 116.953 0.015 1 1 775 . 10 1 1 A 93 93 GLN H H 71 8.309 8.400 -0.091 1 1 776 . 10 1 1 A 93 93 GLN HA H 71 2.874 4.089 -1.215 1 1 781 . 10 1 1 A 93 93 GLN C C 71 178.420 178.133 0.287 1 1 782 . 10 1 1 A 93 93 GLN CA C 71 58.852 58.634 0.218 1 1 783 . 10 1 1 A 93 93 GLN CB C 71 27.658 28.000 -0.342 1 1 785 . 10 1 1 A 93 93 GLN N N 71 120.665 117.320 3.345 1 1 786 . 10 1 1 A 94 94 ASN H H 72 6.899 8.316 -1.417 1 1 787 . 10 1 1 A 94 94 ASN HA H 72 4.596 4.509 0.087 1 1 790 . 10 1 1 A 94 94 ASN C C 72 177.380 177.564 -0.184 1 1 791 . 10 1 1 A 94 94 ASN CA C 72 56.037 56.205 -0.168 1 1 792 . 10 1 1 A 94 94 ASN CB C 72 38.219 38.621 -0.402 1 1 793 . 10 1 1 A 94 94 ASN N N 72 116.271 119.095 -2.824 1 1 794 . 10 1 1 A 95 95 VAL H H 73 8.050 7.708 0.342 1 1 795 . 10 1 1 A 95 95 VAL HA H 73 3.983 3.497 0.486 1 1 803 . 10 1 1 A 95 95 VAL C C 73 180.050 178.223 1.827 1 1 804 . 10 1 1 A 95 95 VAL CA C 73 66.515 66.210 0.305 1 1 805 . 10 1 1 A 95 95 VAL CB C 73 32.587 31.498 1.089 1 1 808 . 10 1 1 A 95 95 VAL N N 73 121.798 119.568 2.230 1 1 809 . 10 1 1 A 96 96 VAL H H 74 9.082 7.677 1.405 1 1 810 . 10 1 1 A 96 96 VAL HA H 74 3.986 2.898 1.088 1 1 818 . 10 1 1 A 96 96 VAL C C 74 177.490 177.931 -0.441 1 1 819 . 10 1 1 A 96 96 VAL CA C 74 67.947 66.060 1.887 1 1 820 . 10 1 1 A 96 96 VAL CB C 74 31.966 31.329 0.637 1 1 823 . 10 1 1 A 96 96 VAL N N 74 120.549 120.595 -0.046 1 1 824 . 10 1 1 A 97 97 ALA H H 75 8.285 7.750 0.535 1 1 825 . 10 1 1 A 97 97 ALA HA H 75 4.108 3.922 0.186 1 1 829 . 10 1 1 A 97 97 ALA C C 75 179.320 179.366 -0.046 1 1 830 . 10 1 1 A 97 97 ALA CA C 75 56.117 54.888 1.229 1 1 831 . 10 1 1 A 97 97 ALA CB C 75 19.867 18.435 1.432 1 1 832 . 10 1 1 A 97 97 ALA N N 75 120.375 121.665 -1.290 1 1 833 . 10 1 1 A 98 98 ASP H H 76 8.522 7.578 0.944 1 1 834 . 10 1 1 A 98 98 ASP HA H 76 4.356 4.351 0.005 1 1 837 . 10 1 1 A 98 98 ASP C C 76 179.100 178.793 0.307 1 1 838 . 10 1 1 A 98 98 ASP CA C 76 57.252 57.402 -0.150 1 1 839 . 10 1 1 A 98 98 ASP CB C 76 41.335 40.920 0.415 1 1 840 . 10 1 1 A 98 98 ASP N N 76 116.871 118.789 -1.918 1 1 841 . 10 1 1 A 99 99 HIS H H 77 8.162 7.679 0.483 1 1 842 . 10 1 1 A 99 99 HIS HA H 77 3.847 4.266 -0.419 1 1 846 . 10 1 1 A 99 99 HIS C C 77 177.440 178.042 -0.602 1 1 847 . 10 1 1 A 99 99 HIS CA C 77 61.636 59.143 2.493 1 1 848 . 10 1 1 A 99 99 HIS CB C 77 29.328 29.790 -0.462 1 1 849 . 10 1 1 A 99 99 HIS N N 77 116.758 118.559 -1.801 1 1 850 . 10 1 1 A 100 100 LEU H H 78 8.718 8.207 0.511 1 1 851 . 10 1 1 A 100 100 LEU HA H 78 3.862 3.926 -0.064 1 1 861 . 10 1 1 A 100 100 LEU C C 78 177.720 179.273 -1.553 1 1 862 . 10 1 1 A 100 100 LEU CA C 78 58.746 57.401 1.345 1 1 863 . 10 1 1 A 100 100 LEU CB C 78 40.324 41.228 -0.904 1 1 867 . 10 1 1 A 100 100 LEU N N 78 120.332 118.937 1.395 1 1 868 . 10 1 1 A 101 101 GLN H H 79 8.167 8.053 0.114 1 1 869 . 10 1 1 A 101 101 GLN HA H 79 3.973 3.915 0.058 1 1 874 . 10 1 1 A 101 101 GLN C C 79 178.990 178.561 0.429 1 1 875 . 10 1 1 A 101 101 GLN CA C 79 58.359 59.144 -0.785 1 1 876 . 10 1 1 A 101 101 GLN CB C 79 29.575 28.730 0.845 1 1 878 . 10 1 1 A 101 101 GLN N N 79 115.715 119.677 -3.962 1 1 879 . 10 1 1 A 102 102 ARG H H 80 7.835 7.898 -0.063 1 1 880 . 10 1 1 A 102 102 ARG HA H 80 3.990 4.034 -0.044 1 1 887 . 10 1 1 A 102 102 ARG C C 80 178.540 177.548 0.992 1 1 888 . 10 1 1 A 102 102 ARG CA C 80 58.789 58.740 0.049 1 1 889 . 10 1 1 A 102 102 ARG CB C 80 30.218 29.910 0.308 1 1 892 . 10 1 1 A 102 102 ARG N N 80 118.207 118.543 -0.336 1 1 893 . 10 1 1 A 103 103 MET H H 81 7.645 7.879 -0.234 1 1 894 . 10 1 1 A 103 103 MET HA H 81 4.353 4.178 0.175 1 1 899 . 10 1 1 A 103 103 MET C C 81 176.300 175.966 0.334 1 1 900 . 10 1 1 A 103 103 MET CA C 81 55.646 56.646 -1.000 1 1 901 . 10 1 1 A 103 103 MET CB C 81 32.620 32.215 0.405 1 1 903 . 10 1 1 A 103 103 MET N N 81 116.250 116.362 -0.112 1 1 904 . 10 1 1 A 104 104 ALA H H 82 7.324 7.215 0.109 1 1 905 . 10 1 1 A 104 104 ALA HA H 82 4.386 4.657 -0.271 1 1 909 . 10 1 1 A 104 104 ALA CA C 82 51.004 51.196 -0.192 1 1 910 . 10 1 1 A 104 104 ALA CB C 82 17.678 20.947 -3.269 1 1 911 . 10 1 1 A 104 104 ALA N N 82 123.602 121.029 2.573 1 1 912 . 10 1 1 A 106 106 SER HA H 84 4.610 4.097 0.513 1 1 915 . 10 1 1 A 106 106 SER C C 84 173.480 173.062 0.418 1 1 916 . 10 1 1 A 106 106 SER CA C 84 58.041 60.751 -2.710 1 1 917 . 10 1 1 A 106 106 SER CB C 84 64.139 61.625 2.514 1 1 918 . 10 1 1 A 107 107 GLU H H 85 7.443 7.570 -0.127 1 1 919 . 10 1 1 A 107 107 GLU HA H 85 4.640 4.571 0.069 1 1 924 . 10 1 1 A 107 107 GLU CA C 85 55.058 55.170 -0.112 1 1 925 . 10 1 1 A 107 107 GLU CB C 85 32.203 31.735 0.468 1 1 927 . 10 1 1 A 107 107 GLU N N 85 119.316 117.164 2.152 1 1 928 . 10 1 1 A 108 108 SER HA H 86 4.549 4.512 0.037 1 1 931 . 10 1 1 A 108 108 SER C C 86 174.220 174.304 -0.084 1 1 932 . 10 1 1 A 108 108 SER CA C 86 57.291 57.538 -0.247 1 1 933 . 10 1 1 A 108 108 SER CB C 86 62.819 61.193 1.626 1 1 934 . 10 1 1 A 109 109 LEU H H 87 9.011 8.245 0.766 1 1 935 . 10 1 1 A 109 109 LEU HA H 87 4.606 3.903 0.703 1 1 945 . 10 1 1 A 109 109 LEU C C 87 176.720 176.144 0.576 1 1 946 . 10 1 1 A 109 109 LEU CA C 87 54.024 55.487 -1.463 1 1 947 . 10 1 1 A 109 109 LEU CB C 87 43.358 40.729 2.629 1 1 951 . 10 1 1 A 109 109 LEU N N 87 126.582 121.099 5.483 1 1 952 . 10 1 1 A 110 110 GLU H H 88 8.530 8.872 -0.342 1 1 953 . 10 1 1 A 110 110 GLU HA H 88 4.541 4.512 0.029 1 1 958 . 10 1 1 A 110 110 GLU C C 88 175.340 176.044 -0.704 1 1 959 . 10 1 1 A 110 110 GLU CA C 88 55.555 56.416 -0.861 1 1 960 . 10 1 1 A 110 110 GLU CB C 88 29.970 29.949 0.021 1 1 962 . 10 1 1 A 110 110 GLU N N 88 123.263 125.809 -2.546 1 1 963 . 10 1 1 A 111 111 ILE H H 89 8.842 8.407 0.435 1 1 964 . 10 1 1 A 111 111 ILE HA H 89 3.911 4.947 -1.036 1 1 974 . 10 1 1 A 111 111 ILE C C 89 173.250 174.130 -0.880 1 1 975 . 10 1 1 A 111 111 ILE CA C 89 61.207 59.250 1.957 1 1 976 . 10 1 1 A 111 111 ILE CB C 89 38.989 41.120 -2.131 1 1 980 . 10 1 1 A 111 111 ILE N N 89 128.558 121.803 6.755 1 1 981 . 10 1 1 A 112 112 ALA H H 90 8.651 8.945 -0.294 1 1 982 . 10 1 1 A 112 112 ALA HA H 90 4.733 4.949 -0.216 1 1 986 . 10 1 1 A 112 112 ALA C C 90 177.040 176.876 0.164 1 1 987 . 10 1 1 A 112 112 ALA CA C 90 50.598 50.413 0.185 1 1 988 . 10 1 1 A 112 112 ALA CB C 90 21.517 20.095 1.422 1 1 989 . 10 1 1 A 112 112 ALA N N 90 131.215 128.334 2.881 1 1 990 . 10 1 1 A 113 113 TRP H H 91 9.084 9.027 0.057 1 1 991 . 10 1 1 A 113 113 TRP HA H 91 5.129 5.373 -0.244 1 1 996 . 10 1 1 A 113 113 TRP C C 91 176.725 176.246 0.479 1 1 997 . 10 1 1 A 113 113 TRP CA C 91 56.263 55.402 0.861 1 1 998 . 10 1 1 A 113 113 TRP CB C 91 31.282 31.146 0.136 1 1 999 . 10 1 1 A 113 113 TRP N N 91 125.391 124.551 0.840 1 1 1001 . 10 1 1 A 114 114 GLN H H 92 9.712 9.171 0.541 1 1 1002 . 10 1 1 A 114 114 GLN HA H 92 5.078 4.559 0.519 1 1 1007 . 10 1 1 A 114 114 GLN CA C 92 52.872 54.158 -1.286 1 1 1008 . 10 1 1 A 114 114 GLN CB C 92 30.288 28.259 2.029 1 1 1010 . 10 1 1 A 114 114 GLN N N 92 122.696 121.241 1.455 1 1 1011 . 10 1 1 A 115 115 PRO HA H 93 4.689 4.104 0.585 1 1 1018 . 10 1 1 A 115 115 PRO C C 93 176.690 176.888 -0.198 1 1 1019 . 10 1 1 A 115 115 PRO CA C 93 63.246 64.984 -1.738 1 1 1020 . 10 1 1 A 115 115 PRO CB C 93 32.152 31.652 0.500 1 1 1023 . 10 1 1 A 116 116 ALA H H 94 8.429 7.910 0.519 1 1 1024 . 10 1 1 A 116 116 ALA HA H 94 4.615 4.477 0.138 1 1 1028 . 10 1 1 A 116 116 ALA C C 94 177.230 175.854 1.376 1 1 1029 . 10 1 1 A 116 116 ALA CA C 94 51.966 53.392 -1.426 1 1 1030 . 10 1 1 A 116 116 ALA CB C 94 20.497 17.442 3.055 1 1 1031 . 10 1 1 A 116 116 ALA N N 94 125.566 119.252 6.314 1 1 1032 . 10 1 1 A 117 117 GLU H H 95 8.754 7.705 1.049 1 1 1033 . 10 1 1 A 117 117 GLU HA H 95 4.479 5.127 -0.648 1 1 1038 . 10 1 1 A 117 117 GLU CA C 95 56.146 54.923 1.223 1 1 1039 . 10 1 1 A 117 117 GLU CB C 95 30.856 33.306 -2.450 1 1 11 . 11 1 1 A 24 24 PHE H H 2 8.940 8.278 0.662 1 1 12 . 11 1 1 A 24 24 PHE HA H 2 4.540 5.067 -0.527 1 1 17 . 11 1 1 A 24 24 PHE C C 2 173.640 175.348 -1.708 1 1 18 . 11 1 1 A 24 24 PHE CA C 2 58.262 57.427 0.835 1 1 19 . 11 1 1 A 24 24 PHE CB C 2 40.639 41.367 -0.728 1 1 20 . 11 1 1 A 24 24 PHE N N 2 121.410 123.930 -2.520 1 1 21 . 11 1 1 A 25 25 ARG H H 3 8.559 8.886 -0.327 1 1 22 . 11 1 1 A 25 25 ARG HA H 3 5.932 5.096 0.836 1 1 29 . 11 1 1 A 25 25 ARG C C 3 175.870 174.248 1.622 1 1 30 . 11 1 1 A 25 25 ARG CA C 3 53.965 55.142 -1.177 1 1 31 . 11 1 1 A 25 25 ARG CB C 3 34.959 33.608 1.351 1 1 34 . 11 1 1 A 25 25 ARG N N 3 123.288 121.085 2.203 1 1 35 . 11 1 1 A 26 26 SER H H 4 9.096 8.939 0.157 1 1 36 . 11 1 1 A 26 26 SER HA H 4 5.306 5.535 -0.229 1 1 39 . 11 1 1 A 26 26 SER C C 4 173.230 172.788 0.442 1 1 40 . 11 1 1 A 26 26 SER CA C 4 56.908 56.376 0.532 1 1 41 . 11 1 1 A 26 26 SER CB C 4 66.846 66.633 0.213 1 1 42 . 11 1 1 A 26 26 SER N N 4 120.152 119.792 0.360 1 1 43 . 11 1 1 A 27 27 THR H H 5 8.889 8.907 -0.018 1 1 44 . 11 1 1 A 27 27 THR HA H 5 6.172 5.599 0.573 1 1 49 . 11 1 1 A 27 27 THR C C 5 173.740 172.180 1.560 1 1 50 . 11 1 1 A 27 27 THR CA C 5 59.621 60.785 -1.164 1 1 51 . 11 1 1 A 27 27 THR CB C 5 75.444 71.504 3.940 1 1 53 . 11 1 1 A 27 27 THR N N 5 112.196 114.708 -2.512 1 1 54 . 11 1 1 A 28 28 SER H H 6 8.945 9.124 -0.179 1 1 55 . 11 1 1 A 28 28 SER HA H 6 4.643 5.341 -0.698 1 1 58 . 11 1 1 A 28 28 SER C C 6 173.400 172.819 0.581 1 1 59 . 11 1 1 A 28 28 SER CA C 6 57.727 57.026 0.701 1 1 60 . 11 1 1 A 28 28 SER CB C 6 65.115 64.786 0.329 1 1 61 . 11 1 1 A 28 28 SER N N 6 115.468 121.954 -6.486 1 1 62 . 11 1 1 A 29 29 HIS H H 7 8.713 9.023 -0.310 1 1 63 . 11 1 1 A 29 29 HIS HA H 7 5.046 5.445 -0.399 1 1 67 . 11 1 1 A 29 29 HIS C C 7 175.330 173.748 1.582 1 1 68 . 11 1 1 A 29 29 HIS CA C 7 55.507 53.787 1.720 1 1 69 . 11 1 1 A 29 29 HIS CB C 7 31.214 32.846 -1.632 1 1 70 . 11 1 1 A 29 29 HIS N N 7 130.131 128.230 1.901 1 1 71 . 11 1 1 A 30 30 VAL H H 8 9.318 8.981 0.337 1 1 72 . 11 1 1 A 30 30 VAL HA H 8 4.431 4.749 -0.318 1 1 80 . 11 1 1 A 30 30 VAL C C 8 175.620 174.834 0.786 1 1 81 . 11 1 1 A 30 30 VAL CA C 8 61.142 60.280 0.862 1 1 82 . 11 1 1 A 30 30 VAL CB C 8 33.063 35.760 -2.697 1 1 85 . 11 1 1 A 30 30 VAL N N 8 128.679 126.656 2.023 1 1 86 . 11 1 1 A 31 31 ARG H H 9 9.212 8.596 0.616 1 1 87 . 11 1 1 A 31 31 ARG HA H 9 4.517 4.996 -0.479 1 1 94 . 11 1 1 A 31 31 ARG C C 9 176.520 176.114 0.406 1 1 95 . 11 1 1 A 31 31 ARG CA C 9 57.458 55.365 2.093 1 1 96 . 11 1 1 A 31 31 ARG CB C 9 29.842 30.857 -1.015 1 1 99 . 11 1 1 A 31 31 ARG N N 9 128.640 125.829 2.811 1 1 100 . 11 1 1 A 32 32 THR H H 10 7.941 9.109 -1.168 1 1 101 . 11 1 1 A 32 32 THR HA H 10 4.627 5.067 -0.440 1 1 105 . 11 1 1 A 32 32 THR C C 10 172.560 173.100 -0.540 1 1 106 . 11 1 1 A 32 32 THR CA C 10 61.473 60.377 1.096 1 1 107 . 11 1 1 A 32 32 THR CB C 10 66.191 73.203 -7.012 1 1 109 . 11 1 1 A 32 32 THR N N 10 120.036 118.624 1.412 1 1 110 . 11 1 1 A 33 33 GLU H H 11 9.022 8.937 0.085 1 1 111 . 11 1 1 A 33 33 GLU HA H 11 4.731 4.776 -0.045 1 1 116 . 11 1 1 A 33 33 GLU C C 11 177.810 176.823 0.987 1 1 117 . 11 1 1 A 33 33 GLU CA C 11 57.466 55.352 2.114 1 1 118 . 11 1 1 A 33 33 GLU CB C 11 30.044 31.842 -1.798 1 1 120 . 11 1 1 A 33 33 GLU N N 11 126.859 124.048 2.811 1 1 121 . 11 1 1 A 34 34 SER H H 12 8.930 9.292 -0.362 1 1 122 . 11 1 1 A 34 34 SER HA H 12 4.795 4.098 0.697 1 1 125 . 11 1 1 A 34 34 SER C C 12 173.360 174.480 -1.120 1 1 126 . 11 1 1 A 34 34 SER CA C 12 56.842 58.986 -2.144 1 1 127 . 11 1 1 A 34 34 SER CB C 12 63.756 62.549 1.207 1 1 128 . 11 1 1 A 34 34 SER N N 12 119.717 118.522 1.195 1 1 129 . 11 1 1 A 35 35 ALA H H 13 8.756 7.736 1.020 1 1 130 . 11 1 1 A 35 35 ALA HA H 13 3.542 3.813 -0.271 1 1 134 . 11 1 1 A 35 35 ALA C C 13 178.560 179.118 -0.558 1 1 135 . 11 1 1 A 35 35 ALA CA C 13 56.288 55.093 1.195 1 1 136 . 11 1 1 A 35 35 ALA CB C 13 21.558 18.748 2.810 1 1 137 . 11 1 1 A 35 35 ALA N N 13 121.856 122.632 -0.776 1 1 138 . 11 1 1 A 36 36 ALA H H 14 8.442 8.140 0.302 1 1 139 . 11 1 1 A 36 36 ALA HA H 14 3.691 4.299 -0.608 1 1 143 . 11 1 1 A 36 36 ALA C C 14 179.900 179.628 0.272 1 1 144 . 11 1 1 A 36 36 ALA CA C 14 55.754 54.786 0.968 1 1 145 . 11 1 1 A 36 36 ALA CB C 14 17.368 18.306 -0.938 1 1 146 . 11 1 1 A 36 36 ALA N N 14 117.191 119.314 -2.123 1 1 147 . 11 1 1 A 37 37 ARG H H 15 7.513 7.274 0.239 1 1 148 . 11 1 1 A 37 37 ARG HA H 15 4.097 4.067 0.030 1 1 155 . 11 1 1 A 37 37 ARG C C 15 178.720 178.546 0.174 1 1 156 . 11 1 1 A 37 37 ARG CA C 15 58.699 58.640 0.059 1 1 157 . 11 1 1 A 37 37 ARG CB C 15 30.024 29.848 0.176 1 1 160 . 11 1 1 A 37 37 ARG N N 15 118.952 118.798 0.154 1 1 161 . 11 1 1 A 38 38 TYR H H 16 7.632 7.994 -0.362 1 1 162 . 11 1 1 A 38 38 TYR HA H 16 4.433 4.329 0.104 1 1 166 . 11 1 1 A 38 38 TYR C C 16 178.110 178.308 -0.198 1 1 167 . 11 1 1 A 38 38 TYR CA C 16 58.473 60.913 -2.440 1 1 168 . 11 1 1 A 38 38 TYR CB C 16 36.286 37.866 -1.580 1 1 169 . 11 1 1 A 38 38 TYR N N 16 118.516 119.427 -0.911 1 1 170 . 11 1 1 A 39 39 VAL H H 17 8.680 7.541 1.139 1 1 171 . 11 1 1 A 39 39 VAL HA H 17 3.491 3.821 -0.330 1 1 179 . 11 1 1 A 39 39 VAL C C 17 177.450 178.048 -0.598 1 1 180 . 11 1 1 A 39 39 VAL CA C 17 68.093 66.287 1.806 1 1 181 . 11 1 1 A 39 39 VAL CB C 17 31.943 31.860 0.083 1 1 184 . 11 1 1 A 39 39 VAL N N 17 119.126 120.597 -1.471 1 1 185 . 11 1 1 A 40 40 ASN H H 18 7.813 7.980 -0.167 1 1 186 . 11 1 1 A 40 40 ASN HA H 18 4.280 4.518 -0.238 1 1 189 . 11 1 1 A 40 40 ASN C C 18 177.190 177.720 -0.530 1 1 190 . 11 1 1 A 40 40 ASN CA C 18 57.525 56.572 0.953 1 1 191 . 11 1 1 A 40 40 ASN CB C 18 39.474 37.906 1.568 1 1 192 . 11 1 1 A 40 40 ASN N N 18 118.013 118.055 -0.042 1 1 193 . 11 1 1 A 41 41 ARG H H 19 8.425 8.292 0.133 1 1 194 . 11 1 1 A 41 41 ARG HA H 19 4.010 4.129 -0.119 1 1 201 . 11 1 1 A 41 41 ARG C C 19 180.050 179.016 1.034 1 1 202 . 11 1 1 A 41 41 ARG CA C 19 59.734 58.644 1.090 1 1 203 . 11 1 1 A 41 41 ARG CB C 19 30.877 29.714 1.163 1 1 206 . 11 1 1 A 41 41 ARG N N 19 116.687 120.211 -3.524 1 1 207 . 11 1 1 A 42 42 LEU H H 20 8.731 7.919 0.812 1 1 208 . 11 1 1 A 42 42 LEU HA H 20 3.904 3.931 -0.027 1 1 218 . 11 1 1 A 42 42 LEU C C 20 178.690 178.947 -0.257 1 1 219 . 11 1 1 A 42 42 LEU CA C 20 58.238 57.857 0.381 1 1 220 . 11 1 1 A 42 42 LEU CB C 20 41.659 41.860 -0.201 1 1 224 . 11 1 1 A 42 42 LEU N N 20 120.849 119.733 1.116 1 1 225 . 11 1 1 A 43 43 CYS H H 21 8.241 8.335 -0.094 1 1 226 . 11 1 1 A 43 43 CYS HA H 21 4.268 4.117 0.151 1 1 229 . 11 1 1 A 43 43 CYS C C 21 177.530 176.725 0.805 1 1 230 . 11 1 1 A 43 43 CYS CA C 21 65.374 63.336 2.038 1 1 231 . 11 1 1 A 43 43 CYS CB C 21 27.962 27.146 0.816 1 1 232 . 11 1 1 A 43 43 CYS N N 21 115.952 116.600 -0.648 1 1 233 . 11 1 1 A 44 44 LYS H H 22 8.364 7.715 0.649 1 1 234 . 11 1 1 A 44 44 LYS HA H 22 4.091 4.282 -0.191 1 1 243 . 11 1 1 A 44 44 LYS C C 22 179.020 178.712 0.308 1 1 244 . 11 1 1 A 44 44 LYS CA C 22 59.004 57.538 1.466 1 1 245 . 11 1 1 A 44 44 LYS CB C 22 31.921 32.679 -0.758 1 1 249 . 11 1 1 A 44 44 LYS N N 22 119.823 119.536 0.287 1 1 250 . 11 1 1 A 45 45 HIS H H 23 8.036 8.125 -0.089 1 1 251 . 11 1 1 A 45 45 HIS HA H 23 4.408 4.087 0.321 1 1 255 . 11 1 1 A 45 45 HIS C C 23 177.870 176.877 0.993 1 1 256 . 11 1 1 A 45 45 HIS CA C 23 60.404 59.234 1.170 1 1 257 . 11 1 1 A 45 45 HIS CB C 23 30.954 30.322 0.632 1 1 258 . 11 1 1 A 45 45 HIS N N 23 118.729 120.866 -2.137 1 1 259 . 11 1 1 A 46 46 TRP H H 24 8.426 8.424 0.002 1 1 260 . 11 1 1 A 46 46 TRP HA H 24 4.903 4.728 0.175 1 1 265 . 11 1 1 A 46 46 TRP C C 24 177.900 177.618 0.282 1 1 266 . 11 1 1 A 46 46 TRP CA C 24 58.973 59.163 -0.190 1 1 267 . 11 1 1 A 46 46 TRP CB C 24 29.328 29.558 -0.230 1 1 268 . 11 1 1 A 46 46 TRP N N 24 117.297 116.402 0.895 1 1 270 . 11 1 1 A 47 47 GLY H H 25 8.254 8.493 -0.239 1 1 271 . 11 1 1 A 47 47 GLY HA2 H 25 4.362 4.063 0.299 1 1 272 . 11 1 1 A 47 47 GLY HA3 H 25 3.936 4.133 -0.197 1 1 273 . 11 1 1 A 47 47 GLY CA C 25 46.812 47.488 -0.676 1 1 274 . 11 1 1 A 47 47 GLY N N 25 108.683 108.597 0.086 1 1 275 . 11 1 1 A 48 48 HIS C C 26 176.030 175.202 0.828 1 1 276 . 11 1 1 A 48 48 HIS CA C 26 58.358 57.309 1.049 1 1 277 . 11 1 1 A 48 48 HIS CB C 26 30.438 32.121 -1.683 1 1 278 . 11 1 1 A 49 49 LYS H H 27 7.544 7.976 -0.432 1 1 279 . 11 1 1 A 49 49 LYS HA H 27 4.236 4.372 -0.136 1 1 288 . 11 1 1 A 49 49 LYS C C 27 174.880 174.420 0.460 1 1 289 . 11 1 1 A 49 49 LYS CA C 27 56.572 55.285 1.287 1 1 290 . 11 1 1 A 49 49 LYS CB C 27 35.793 33.889 1.904 1 1 294 . 11 1 1 A 49 49 LYS N N 27 117.278 120.096 -2.818 1 1 295 . 11 1 1 A 50 50 PHE H H 28 8.178 7.687 0.491 1 1 296 . 11 1 1 A 50 50 PHE HA H 28 5.016 5.109 -0.093 1 1 301 . 11 1 1 A 50 50 PHE C C 28 174.190 174.917 -0.727 1 1 302 . 11 1 1 A 50 50 PHE CA C 28 55.756 56.193 -0.437 1 1 303 . 11 1 1 A 50 50 PHE CB C 28 41.140 43.270 -2.130 1 1 304 . 11 1 1 A 50 50 PHE N N 28 118.846 119.091 -0.245 1 1 305 . 11 1 1 A 51 51 GLU H H 29 7.812 8.557 -0.745 1 1 306 . 11 1 1 A 51 51 GLU HA H 29 4.449 4.640 -0.191 1 1 311 . 11 1 1 A 51 51 GLU C C 29 175.570 176.114 -0.544 1 1 312 . 11 1 1 A 51 51 GLU CA C 29 56.852 56.257 0.595 1 1 313 . 11 1 1 A 51 51 GLU CB C 29 30.207 29.963 0.244 1 1 315 . 11 1 1 A 51 51 GLU N N 29 120.355 121.562 -1.207 1 1 316 . 11 1 1 A 52 52 VAL H H 30 8.395 9.002 -0.607 1 1 317 . 11 1 1 A 52 52 VAL HA H 30 5.383 5.548 -0.165 1 1 325 . 11 1 1 A 52 52 VAL C C 30 175.850 174.410 1.440 1 1 326 . 11 1 1 A 52 52 VAL CA C 30 59.969 60.402 -0.433 1 1 327 . 11 1 1 A 52 52 VAL CB C 30 36.173 34.200 1.973 1 1 330 . 11 1 1 A 52 52 VAL N N 30 124.120 120.835 3.285 1 1 331 . 11 1 1 A 53 53 GLU H H 31 9.289 9.315 -0.026 1 1 332 . 11 1 1 A 53 53 GLU HA H 31 4.717 5.016 -0.299 1 1 337 . 11 1 1 A 53 53 GLU C C 31 174.370 174.852 -0.482 1 1 338 . 11 1 1 A 53 53 GLU CA C 31 55.415 55.628 -0.213 1 1 339 . 11 1 1 A 53 53 GLU CB C 31 33.211 31.523 1.688 1 1 341 . 11 1 1 A 53 53 GLU N N 31 126.346 127.326 -0.980 1 1 342 . 11 1 1 A 54 54 LEU H H 32 8.763 8.964 -0.201 1 1 343 . 11 1 1 A 54 54 LEU HA H 32 5.375 5.167 0.208 1 1 353 . 11 1 1 A 54 54 LEU C C 32 175.100 175.548 -0.448 1 1 354 . 11 1 1 A 54 54 LEU CA C 32 55.010 53.605 1.405 1 1 355 . 11 1 1 A 54 54 LEU CB C 32 45.485 44.550 0.935 1 1 359 . 11 1 1 A 54 54 LEU N N 32 126.898 128.103 -1.205 1 1 360 . 11 1 1 A 55 55 THR H H 33 9.159 8.242 0.917 1 1 361 . 11 1 1 A 55 55 THR HA H 33 4.886 5.034 -0.148 1 1 366 . 11 1 1 A 55 55 THR CA C 33 59.489 58.622 0.867 1 1 367 . 11 1 1 A 55 55 THR CB C 33 69.241 70.126 -0.885 1 1 369 . 11 1 1 A 55 55 THR N N 33 121.246 116.646 4.600 1 1 370 . 11 1 1 A 56 56 PRO HA H 34 4.269 4.615 -0.346 1 1 377 . 11 1 1 A 56 56 PRO C C 34 177.750 175.473 2.277 1 1 378 . 11 1 1 A 56 56 PRO CA C 34 65.968 62.813 3.155 1 1 379 . 11 1 1 A 56 56 PRO CB C 34 31.786 29.657 2.129 1 1 382 . 11 1 1 A 57 57 GLU H H 35 8.148 8.476 -0.328 1 1 383 . 11 1 1 A 57 57 GLU HA H 35 4.351 4.530 -0.179 1 1 388 . 11 1 1 A 57 57 GLU C C 35 175.720 175.807 -0.087 1 1 389 . 11 1 1 A 57 57 GLU CA C 35 57.085 56.859 0.226 1 1 390 . 11 1 1 A 57 57 GLU CB C 35 30.299 32.412 -2.113 1 1 392 . 11 1 1 A 57 57 GLU N N 35 112.303 120.424 -8.121 1 1 393 . 11 1 1 A 58 58 ARG H H 36 7.777 7.843 -0.066 1 1 394 . 11 1 1 A 58 58 ARG HA H 36 5.418 5.134 0.284 1 1 401 . 11 1 1 A 58 58 ARG C C 36 173.610 173.985 -0.375 1 1 402 . 11 1 1 A 58 58 ARG CA C 36 55.576 55.010 0.566 1 1 403 . 11 1 1 A 58 58 ARG CB C 36 33.324 32.612 0.712 1 1 406 . 11 1 1 A 58 58 ARG N N 36 122.018 115.292 6.726 1 1 407 . 11 1 1 A 59 59 GLY H H 37 9.650 8.724 0.926 1 1 408 . 11 1 1 A 59 59 GLY HA2 H 37 5.484 4.268 1.216 1 1 409 . 11 1 1 A 59 59 GLY HA3 H 37 3.554 4.274 -0.720 1 1 410 . 11 1 1 A 59 59 GLY C C 37 171.630 171.957 -0.327 1 1 411 . 11 1 1 A 59 59 GLY CA C 37 44.563 44.596 -0.033 1 1 412 . 11 1 1 A 59 59 GLY N N 37 113.745 106.907 6.838 1 1 413 . 11 1 1 A 60 60 PHE H H 38 9.138 8.984 0.154 1 1 414 . 11 1 1 A 60 60 PHE HA H 38 5.472 5.121 0.351 1 1 419 . 11 1 1 A 60 60 PHE C C 38 173.180 174.193 -1.013 1 1 420 . 11 1 1 A 60 60 PHE CA C 38 57.234 56.340 0.894 1 1 421 . 11 1 1 A 60 60 PHE CB C 38 43.107 41.235 1.872 1 1 422 . 11 1 1 A 60 60 PHE N N 38 124.144 125.989 -1.845 1 1 423 . 11 1 1 A 61 61 ILE H H 39 8.618 8.347 0.271 1 1 424 . 11 1 1 A 61 61 ILE HA H 39 4.226 4.905 -0.679 1 1 434 . 11 1 1 A 61 61 ILE C C 39 172.950 174.000 -1.050 1 1 435 . 11 1 1 A 61 61 ILE CA C 39 60.357 60.524 -0.167 1 1 436 . 11 1 1 A 61 61 ILE CB C 39 41.488 39.855 1.633 1 1 440 . 11 1 1 A 61 61 ILE N N 39 126.753 127.326 -0.573 1 1 441 . 11 1 1 A 62 62 ASP H H 40 8.192 8.087 0.105 1 1 442 . 11 1 1 A 62 62 ASP HA H 40 4.464 5.308 -0.844 1 1 445 . 11 1 1 A 62 62 ASP C C 40 176.240 176.475 -0.235 1 1 446 . 11 1 1 A 62 62 ASP CA C 40 52.208 52.422 -0.214 1 1 447 . 11 1 1 A 62 62 ASP CB C 40 41.489 42.717 -1.228 1 1 448 . 11 1 1 A 62 62 ASP N N 40 124.314 128.015 -3.701 1 1 449 . 11 1 1 A 63 63 PHE H H 41 8.165 8.709 -0.544 1 1 450 . 11 1 1 A 63 63 PHE HA H 41 4.007 4.795 -0.788 1 1 454 . 11 1 1 A 63 63 PHE C C 41 175.640 175.805 -0.165 1 1 455 . 11 1 1 A 63 63 PHE CA C 41 58.407 58.018 0.389 1 1 456 . 11 1 1 A 63 63 PHE CB C 41 38.486 39.335 -0.849 1 1 457 . 11 1 1 A 63 63 PHE N N 41 123.395 121.111 2.284 1 1 458 . 11 1 1 A 64 64 GLY H H 42 9.003 7.906 1.097 1 1 459 . 11 1 1 A 64 64 GLY HA2 H 42 4.675 4.008 0.667 1 1 460 . 11 1 1 A 64 64 GLY HA3 H 42 3.484 4.017 -0.533 1 1 461 . 11 1 1 A 64 64 GLY CA C 42 45.938 46.274 -0.336 1 1 462 . 11 1 1 A 64 64 GLY N N 42 112.196 107.773 4.423 1 1 463 . 11 1 1 A 65 65 ASP HA H 43 4.675 4.728 -0.053 1 1 466 . 11 1 1 A 65 65 ASP C C 43 176.170 174.655 1.515 1 1 467 . 11 1 1 A 65 65 ASP CA C 43 55.415 53.257 2.158 1 1 468 . 11 1 1 A 65 65 ASP CB C 43 41.379 38.939 2.440 1 1 469 . 11 1 1 A 66 66 SER H H 44 7.743 7.613 0.130 1 1 470 . 11 1 1 A 66 66 SER HA H 44 5.292 4.984 0.308 1 1 473 . 11 1 1 A 66 66 SER C C 44 172.190 172.224 -0.034 1 1 474 . 11 1 1 A 66 66 SER CA C 44 57.890 57.664 0.226 1 1 475 . 11 1 1 A 66 66 SER CB C 44 66.054 65.839 0.215 1 1 476 . 11 1 1 A 66 66 SER N N 44 112.796 113.453 -0.657 1 1 477 . 11 1 1 A 67 67 ASN H H 45 9.075 8.909 0.166 1 1 478 . 11 1 1 A 67 67 ASN HA H 45 5.126 5.155 -0.029 1 1 481 . 11 1 1 A 67 67 ASN C C 45 172.300 173.232 -0.932 1 1 482 . 11 1 1 A 67 67 ASN CA C 45 52.997 51.886 1.111 1 1 483 . 11 1 1 A 67 67 ASN CB C 45 42.047 43.500 -1.453 1 1 484 . 11 1 1 A 67 67 ASN N N 45 114.955 117.171 -2.216 1 1 485 . 11 1 1 A 68 68 CYS H H 46 8.757 8.304 0.453 1 1 486 . 11 1 1 A 68 68 CYS HA H 46 5.652 5.119 0.533 1 1 489 . 11 1 1 A 68 68 CYS C C 46 170.650 172.537 -1.887 1 1 490 . 11 1 1 A 68 68 CYS CA C 46 56.668 58.113 -1.445 1 1 491 . 11 1 1 A 68 68 CYS CB C 46 31.195 29.784 1.411 1 1 492 . 11 1 1 A 68 68 CYS N N 46 119.184 117.696 1.488 1 1 493 . 11 1 1 A 69 69 GLU H H 47 9.587 9.299 0.288 1 1 494 . 11 1 1 A 69 69 GLU HA H 47 5.283 5.539 -0.256 1 1 499 . 11 1 1 A 69 69 GLU C C 47 174.190 174.934 -0.744 1 1 500 . 11 1 1 A 69 69 GLU CA C 47 54.401 55.400 -0.999 1 1 501 . 11 1 1 A 69 69 GLU CB C 47 33.607 32.403 1.204 1 1 503 . 11 1 1 A 69 69 GLU N N 47 131.612 127.541 4.071 1 1 504 . 11 1 1 A 70 70 LEU H H 48 9.523 8.413 1.110 1 1 505 . 11 1 1 A 70 70 LEU HA H 48 5.314 4.951 0.363 1 1 515 . 11 1 1 A 70 70 LEU C C 48 174.730 173.893 0.837 1 1 516 . 11 1 1 A 70 70 LEU CA C 48 53.570 54.519 -0.949 1 1 517 . 11 1 1 A 70 70 LEU CB C 48 46.109 45.731 0.378 1 1 521 . 11 1 1 A 70 70 LEU N N 48 125.069 124.833 0.236 1 1 522 . 11 1 1 A 71 71 LEU H H 49 9.493 9.560 -0.067 1 1 523 . 11 1 1 A 71 71 LEU HA H 49 5.001 5.172 -0.171 1 1 533 . 11 1 1 A 71 71 LEU C C 49 175.310 175.006 0.304 1 1 534 . 11 1 1 A 71 71 LEU CA C 49 53.809 53.812 -0.003 1 1 535 . 11 1 1 A 71 71 LEU CB C 49 42.880 44.155 -1.275 1 1 539 . 11 1 1 A 71 71 LEU N N 49 123.714 128.773 -5.059 1 1 540 . 11 1 1 A 72 72 ALA H H 50 8.255 8.409 -0.154 1 1 541 . 11 1 1 A 72 72 ALA HA H 50 4.307 5.142 -0.835 1 1 545 . 11 1 1 A 72 72 ALA C C 50 174.800 175.327 -0.527 1 1 546 . 11 1 1 A 72 72 ALA CA C 50 51.618 51.361 0.257 1 1 547 . 11 1 1 A 72 72 ALA CB C 50 18.634 21.461 -2.827 1 1 548 . 11 1 1 A 72 72 ALA N N 50 125.398 128.090 -2.692 1 1 549 . 11 1 1 A 73 73 HIS H H 51 8.053 9.474 -1.421 1 1 550 . 11 1 1 A 73 73 HIS HA H 51 4.953 4.931 0.022 1 1 554 . 11 1 1 A 73 73 HIS CA C 51 54.682 53.895 0.787 1 1 555 . 11 1 1 A 73 73 HIS CB C 51 31.150 32.156 -1.006 1 1 556 . 11 1 1 A 73 73 HIS N N 51 123.172 123.879 -0.707 1 1 557 . 11 1 1 A 74 74 PRO HA H 52 4.385 4.072 0.313 1 1 564 . 11 1 1 A 74 74 PRO C C 52 176.370 176.667 -0.297 1 1 565 . 11 1 1 A 74 74 PRO CA C 52 65.625 64.978 0.647 1 1 566 . 11 1 1 A 74 74 PRO CB C 52 32.014 31.806 0.208 1 1 569 . 11 1 1 A 75 75 ASP H H 53 8.303 8.196 0.107 1 1 570 . 11 1 1 A 75 75 ASP HA H 53 4.955 5.232 -0.277 1 1 573 . 11 1 1 A 75 75 ASP C C 53 177.380 175.334 2.046 1 1 574 . 11 1 1 A 75 75 ASP CA C 53 52.034 54.123 -2.089 1 1 575 . 11 1 1 A 75 75 ASP CB C 53 41.826 42.517 -0.691 1 1 576 . 11 1 1 A 75 75 ASP N N 53 109.961 115.721 -5.760 1 1 577 . 11 1 1 A 76 76 HIS H H 54 7.379 7.573 -0.194 1 1 578 . 11 1 1 A 76 76 HIS HA H 54 5.421 5.501 -0.080 1 1 582 . 11 1 1 A 76 76 HIS C C 54 172.470 172.836 -0.366 1 1 583 . 11 1 1 A 76 76 HIS CA C 54 56.943 54.279 2.664 1 1 584 . 11 1 1 A 76 76 HIS CB C 54 29.909 34.115 -4.206 1 1 585 . 11 1 1 A 76 76 HIS N N 54 114.752 116.486 -1.734 1 1 586 . 11 1 1 A 77 77 VAL H H 55 8.933 8.669 0.264 1 1 587 . 11 1 1 A 77 77 VAL HA H 55 4.837 5.142 -0.305 1 1 595 . 11 1 1 A 77 77 VAL C C 55 173.420 173.927 -0.507 1 1 596 . 11 1 1 A 77 77 VAL CA C 55 59.429 59.934 -0.505 1 1 597 . 11 1 1 A 77 77 VAL CB C 55 35.121 35.614 -0.493 1 1 600 . 11 1 1 A 77 77 VAL N N 55 117.287 119.881 -2.594 1 1 601 . 11 1 1 A 78 78 LEU H H 56 9.004 9.593 -0.589 1 1 602 . 11 1 1 A 78 78 LEU HA H 56 5.466 5.262 0.204 1 1 612 . 11 1 1 A 78 78 LEU C C 56 175.140 176.009 -0.869 1 1 613 . 11 1 1 A 78 78 LEU CA C 56 53.084 53.783 -0.699 1 1 614 . 11 1 1 A 78 78 LEU CB C 56 44.499 45.491 -0.992 1 1 618 . 11 1 1 A 78 78 LEU N N 56 130.334 128.115 2.219 1 1 619 . 11 1 1 A 79 79 MET H H 57 9.381 8.849 0.532 1 1 620 . 11 1 1 A 79 79 MET HA H 57 5.678 5.271 0.407 1 1 625 . 11 1 1 A 79 79 MET C C 57 175.160 174.642 0.518 1 1 626 . 11 1 1 A 79 79 MET CA C 57 54.216 54.343 -0.127 1 1 627 . 11 1 1 A 79 79 MET CB C 57 37.309 35.175 2.134 1 1 629 . 11 1 1 A 79 79 MET N N 57 124.304 121.985 2.319 1 1 630 . 11 1 1 A 80 80 ILE H H 58 9.552 8.735 0.817 1 1 631 . 11 1 1 A 80 80 ILE HA H 58 4.957 5.140 -0.183 1 1 641 . 11 1 1 A 80 80 ILE C C 58 175.160 175.440 -0.280 1 1 642 . 11 1 1 A 80 80 ILE CA C 58 61.338 60.096 1.242 1 1 643 . 11 1 1 A 80 80 ILE CB C 58 41.092 41.363 -0.271 1 1 647 . 11 1 1 A 80 80 ILE N N 58 122.359 124.654 -2.295 1 1 648 . 11 1 1 A 81 81 LEU H H 59 9.549 8.604 0.945 1 1 649 . 11 1 1 A 81 81 LEU HA H 59 5.274 5.183 0.091 1 1 659 . 11 1 1 A 81 81 LEU C C 59 174.280 175.371 -1.091 1 1 660 . 11 1 1 A 81 81 LEU CA C 59 53.621 52.594 1.027 1 1 661 . 11 1 1 A 81 81 LEU CB C 59 46.837 45.335 1.502 1 1 665 . 11 1 1 A 81 81 LEU N N 59 131.901 124.774 7.127 1 1 666 . 11 1 1 A 82 82 ASN H H 60 8.516 8.395 0.121 1 1 667 . 11 1 1 A 82 82 ASN HA H 60 5.851 5.477 0.374 1 1 670 . 11 1 1 A 82 82 ASN C C 60 174.840 173.993 0.847 1 1 671 . 11 1 1 A 82 82 ASN CA C 60 52.549 52.042 0.507 1 1 672 . 11 1 1 A 82 82 ASN CB C 60 43.188 39.703 3.485 1 1 673 . 11 1 1 A 82 82 ASN N N 60 120.142 119.173 0.969 1 1 674 . 11 1 1 A 83 83 SER H H 61 9.176 8.374 0.802 1 1 675 . 11 1 1 A 83 83 SER HA H 61 5.295 4.857 0.438 1 1 678 . 11 1 1 A 83 83 SER CA C 61 57.388 55.637 1.751 1 1 679 . 11 1 1 A 83 83 SER CB C 61 68.052 66.152 1.900 1 1 680 . 11 1 1 A 83 83 SER N N 61 116.871 119.344 -2.473 1 1 681 . 11 1 1 A 84 84 PRO HA H 62 4.907 4.019 0.888 1 1 688 . 11 1 1 A 84 84 PRO C C 62 175.210 175.131 0.079 1 1 689 . 11 1 1 A 84 84 PRO CA C 62 64.539 63.650 0.889 1 1 690 . 11 1 1 A 84 84 PRO CB C 62 32.726 31.678 1.048 1 1 693 . 11 1 1 A 85 85 ASP H H 63 7.228 7.717 -0.489 1 1 694 . 11 1 1 A 85 85 ASP HA H 63 4.630 5.259 -0.629 1 1 697 . 11 1 1 A 85 85 ASP C C 63 174.540 175.893 -1.353 1 1 698 . 11 1 1 A 85 85 ASP CA C 63 53.119 53.436 -0.317 1 1 699 . 11 1 1 A 85 85 ASP CB C 63 42.880 43.277 -0.397 1 1 700 . 11 1 1 A 85 85 ASP N N 63 112.313 118.369 -6.056 1 1 701 . 11 1 1 A 86 86 GLU H H 64 8.761 9.456 -0.695 1 1 702 . 11 1 1 A 86 86 GLU HA H 64 3.321 4.125 -0.804 1 1 707 . 11 1 1 A 86 86 GLU C C 64 178.440 178.598 -0.158 1 1 708 . 11 1 1 A 86 86 GLU CA C 64 59.937 59.613 0.324 1 1 709 . 11 1 1 A 86 86 GLU CB C 64 29.707 29.518 0.189 1 1 711 . 11 1 1 A 86 86 GLU N N 64 120.055 125.653 -5.598 1 1 712 . 11 1 1 A 87 87 ASP H H 65 8.332 8.157 0.175 1 1 713 . 11 1 1 A 87 87 ASP HA H 65 4.414 4.312 0.102 1 1 716 . 11 1 1 A 87 87 ASP C C 65 179.400 178.587 0.813 1 1 717 . 11 1 1 A 87 87 ASP CA C 65 57.203 57.633 -0.430 1 1 718 . 11 1 1 A 87 87 ASP CB C 65 40.323 41.307 -0.984 1 1 719 . 11 1 1 A 87 87 ASP N N 65 121.933 120.249 1.684 1 1 720 . 11 1 1 A 88 88 SER H H 66 8.949 8.163 0.786 1 1 721 . 11 1 1 A 88 88 SER HA H 66 4.169 4.194 -0.025 1 1 724 . 11 1 1 A 88 88 SER C C 66 176.110 176.188 -0.078 1 1 725 . 11 1 1 A 88 88 SER CA C 66 62.032 62.386 -0.354 1 1 726 . 11 1 1 A 88 88 SER CB C 66 62.178 63.069 -0.891 1 1 727 . 11 1 1 A 88 88 SER N N 66 119.726 116.597 3.129 1 1 728 . 11 1 1 A 89 89 LEU H H 67 7.737 8.828 -1.091 1 1 729 . 11 1 1 A 89 89 LEU HA H 67 4.017 4.378 -0.361 1 1 739 . 11 1 1 A 89 89 LEU C C 67 177.790 178.124 -0.334 1 1 740 . 11 1 1 A 89 89 LEU CA C 67 57.958 58.367 -0.409 1 1 741 . 11 1 1 A 89 89 LEU CB C 67 42.394 42.260 0.134 1 1 745 . 11 1 1 A 89 89 LEU N N 67 122.942 122.737 0.205 1 1 746 . 11 1 1 A 90 90 ALA H H 68 7.483 9.398 -1.915 1 1 747 . 11 1 1 A 90 90 ALA HA H 68 3.780 3.990 -0.210 1 1 751 . 11 1 1 A 90 90 ALA C C 68 180.410 179.362 1.048 1 1 752 . 11 1 1 A 90 90 ALA CA C 68 54.782 54.696 0.086 1 1 753 . 11 1 1 A 90 90 ALA CB C 68 17.857 18.430 -0.573 1 1 754 . 11 1 1 A 90 90 ALA N N 68 119.446 120.483 -1.037 1 1 755 . 11 1 1 A 91 91 HIS H H 69 7.707 8.234 -0.527 1 1 756 . 11 1 1 A 91 91 HIS HA H 69 4.377 4.013 0.364 1 1 760 . 11 1 1 A 91 91 HIS C C 69 177.865 177.073 0.792 1 1 761 . 11 1 1 A 91 91 HIS CA C 69 59.518 59.514 0.004 1 1 762 . 11 1 1 A 91 91 HIS CB C 69 30.954 29.564 1.390 1 1 763 . 11 1 1 A 91 91 HIS N N 69 116.881 117.855 -0.974 1 1 764 . 11 1 1 A 92 92 MET H H 70 8.467 8.428 0.039 1 1 765 . 11 1 1 A 92 92 MET HA H 70 4.087 3.878 0.209 1 1 770 . 11 1 1 A 92 92 MET C C 70 178.390 178.081 0.309 1 1 771 . 11 1 1 A 92 92 MET CA C 70 55.584 58.539 -2.955 1 1 772 . 11 1 1 A 92 92 MET CB C 70 29.773 33.358 -3.585 1 1 774 . 11 1 1 A 92 92 MET N N 70 116.968 116.776 0.192 1 1 775 . 11 1 1 A 93 93 GLN H H 71 8.309 8.295 0.014 1 1 776 . 11 1 1 A 93 93 GLN HA H 71 2.874 3.985 -1.111 1 1 781 . 11 1 1 A 93 93 GLN C C 71 178.420 177.995 0.425 1 1 782 . 11 1 1 A 93 93 GLN CA C 71 58.852 58.517 0.335 1 1 783 . 11 1 1 A 93 93 GLN CB C 71 27.658 27.858 -0.200 1 1 785 . 11 1 1 A 93 93 GLN N N 71 120.665 117.171 3.494 1 1 786 . 11 1 1 A 94 94 ASN H H 72 6.899 8.203 -1.304 1 1 787 . 11 1 1 A 94 94 ASN HA H 72 4.596 4.449 0.147 1 1 790 . 11 1 1 A 94 94 ASN C C 72 177.380 177.519 -0.139 1 1 791 . 11 1 1 A 94 94 ASN CA C 72 56.037 56.105 -0.068 1 1 792 . 11 1 1 A 94 94 ASN CB C 72 38.219 38.540 -0.321 1 1 793 . 11 1 1 A 94 94 ASN N N 72 116.271 118.926 -2.655 1 1 794 . 11 1 1 A 95 95 VAL H H 73 8.050 7.652 0.398 1 1 795 . 11 1 1 A 95 95 VAL HA H 73 3.983 3.515 0.468 1 1 803 . 11 1 1 A 95 95 VAL C C 73 180.050 178.232 1.818 1 1 804 . 11 1 1 A 95 95 VAL CA C 73 66.515 66.016 0.499 1 1 805 . 11 1 1 A 95 95 VAL CB C 73 32.587 31.290 1.297 1 1 808 . 11 1 1 A 95 95 VAL N N 73 121.798 119.507 2.291 1 1 809 . 11 1 1 A 96 96 VAL H H 74 9.082 7.639 1.443 1 1 810 . 11 1 1 A 96 96 VAL HA H 74 3.986 2.858 1.128 1 1 818 . 11 1 1 A 96 96 VAL C C 74 177.490 177.964 -0.474 1 1 819 . 11 1 1 A 96 96 VAL CA C 74 67.947 66.083 1.864 1 1 820 . 11 1 1 A 96 96 VAL CB C 74 31.966 31.279 0.687 1 1 823 . 11 1 1 A 96 96 VAL N N 74 120.549 120.608 -0.059 1 1 824 . 11 1 1 A 97 97 ALA H H 75 8.285 7.738 0.547 1 1 825 . 11 1 1 A 97 97 ALA HA H 75 4.108 4.005 0.103 1 1 829 . 11 1 1 A 97 97 ALA C C 75 179.320 179.293 0.027 1 1 830 . 11 1 1 A 97 97 ALA CA C 75 56.117 54.960 1.157 1 1 831 . 11 1 1 A 97 97 ALA CB C 75 19.867 18.575 1.292 1 1 832 . 11 1 1 A 97 97 ALA N N 75 120.375 121.641 -1.266 1 1 833 . 11 1 1 A 98 98 ASP H H 76 8.522 7.758 0.764 1 1 834 . 11 1 1 A 98 98 ASP HA H 76 4.356 4.394 -0.038 1 1 837 . 11 1 1 A 98 98 ASP C C 76 179.100 178.591 0.509 1 1 838 . 11 1 1 A 98 98 ASP CA C 76 57.252 57.278 -0.026 1 1 839 . 11 1 1 A 98 98 ASP CB C 76 41.335 41.057 0.278 1 1 840 . 11 1 1 A 98 98 ASP N N 76 116.871 118.708 -1.837 1 1 841 . 11 1 1 A 99 99 HIS H H 77 8.162 7.804 0.358 1 1 842 . 11 1 1 A 99 99 HIS HA H 77 3.847 4.398 -0.551 1 1 846 . 11 1 1 A 99 99 HIS C C 77 177.440 178.285 -0.845 1 1 847 . 11 1 1 A 99 99 HIS CA C 77 61.636 59.307 2.329 1 1 848 . 11 1 1 A 99 99 HIS CB C 77 29.328 29.837 -0.509 1 1 849 . 11 1 1 A 99 99 HIS N N 77 116.758 118.714 -1.956 1 1 850 . 11 1 1 A 100 100 LEU H H 78 8.718 8.243 0.475 1 1 851 . 11 1 1 A 100 100 LEU HA H 78 3.862 3.959 -0.097 1 1 861 . 11 1 1 A 100 100 LEU C C 78 177.720 179.688 -1.968 1 1 862 . 11 1 1 A 100 100 LEU CA C 78 58.746 57.324 1.422 1 1 863 . 11 1 1 A 100 100 LEU CB C 78 40.324 41.146 -0.822 1 1 867 . 11 1 1 A 100 100 LEU N N 78 120.332 119.242 1.090 1 1 868 . 11 1 1 A 101 101 GLN H H 79 8.167 8.087 0.080 1 1 869 . 11 1 1 A 101 101 GLN HA H 79 3.973 4.054 -0.081 1 1 874 . 11 1 1 A 101 101 GLN C C 79 178.990 178.703 0.287 1 1 875 . 11 1 1 A 101 101 GLN CA C 79 58.359 58.848 -0.489 1 1 876 . 11 1 1 A 101 101 GLN CB C 79 29.575 28.671 0.904 1 1 878 . 11 1 1 A 101 101 GLN N N 79 115.715 120.066 -4.351 1 1 879 . 11 1 1 A 102 102 ARG H H 80 7.835 7.986 -0.151 1 1 880 . 11 1 1 A 102 102 ARG HA H 80 3.990 4.053 -0.063 1 1 887 . 11 1 1 A 102 102 ARG C C 80 178.540 177.293 1.247 1 1 888 . 11 1 1 A 102 102 ARG CA C 80 58.789 58.968 -0.179 1 1 889 . 11 1 1 A 102 102 ARG CB C 80 30.218 30.046 0.172 1 1 892 . 11 1 1 A 102 102 ARG N N 80 118.207 118.640 -0.433 1 1 893 . 11 1 1 A 103 103 MET H H 81 7.645 7.750 -0.105 1 1 894 . 11 1 1 A 103 103 MET HA H 81 4.353 4.160 0.193 1 1 899 . 11 1 1 A 103 103 MET C C 81 176.300 176.787 -0.487 1 1 900 . 11 1 1 A 103 103 MET CA C 81 55.646 57.129 -1.483 1 1 901 . 11 1 1 A 103 103 MET CB C 81 32.620 31.744 0.876 1 1 903 . 11 1 1 A 103 103 MET N N 81 116.250 116.381 -0.131 1 1 904 . 11 1 1 A 104 104 ALA H H 82 7.324 7.741 -0.417 1 1 905 . 11 1 1 A 104 104 ALA HA H 82 4.386 4.478 -0.092 1 1 909 . 11 1 1 A 104 104 ALA CA C 82 51.004 53.256 -2.252 1 1 910 . 11 1 1 A 104 104 ALA CB C 82 17.678 20.936 -3.258 1 1 911 . 11 1 1 A 104 104 ALA N N 82 123.602 122.017 1.585 1 1 912 . 11 1 1 A 106 106 SER HA H 84 4.610 4.186 0.424 1 1 915 . 11 1 1 A 106 106 SER C C 84 173.480 173.599 -0.119 1 1 916 . 11 1 1 A 106 106 SER CA C 84 58.041 60.793 -2.752 1 1 917 . 11 1 1 A 106 106 SER CB C 84 64.139 62.081 2.058 1 1 918 . 11 1 1 A 107 107 GLU H H 85 7.443 8.136 -0.693 1 1 919 . 11 1 1 A 107 107 GLU HA H 85 4.640 4.831 -0.191 1 1 924 . 11 1 1 A 107 107 GLU CA C 85 55.058 55.226 -0.168 1 1 925 . 11 1 1 A 107 107 GLU CB C 85 32.203 31.781 0.422 1 1 927 . 11 1 1 A 107 107 GLU N N 85 119.316 118.244 1.072 1 1 928 . 11 1 1 A 108 108 SER HA H 86 4.549 4.920 -0.371 1 1 931 . 11 1 1 A 108 108 SER C C 86 174.220 173.661 0.559 1 1 932 . 11 1 1 A 108 108 SER CA C 86 57.291 56.956 0.335 1 1 933 . 11 1 1 A 108 108 SER CB C 86 62.819 61.661 1.158 1 1 934 . 11 1 1 A 109 109 LEU H H 87 9.011 8.247 0.764 1 1 935 . 11 1 1 A 109 109 LEU HA H 87 4.606 3.935 0.671 1 1 945 . 11 1 1 A 109 109 LEU C C 87 176.720 176.139 0.581 1 1 946 . 11 1 1 A 109 109 LEU CA C 87 54.024 55.529 -1.505 1 1 947 . 11 1 1 A 109 109 LEU CB C 87 43.358 40.786 2.572 1 1 951 . 11 1 1 A 109 109 LEU N N 87 126.582 124.469 2.113 1 1 952 . 11 1 1 A 110 110 GLU H H 88 8.530 8.870 -0.340 1 1 953 . 11 1 1 A 110 110 GLU HA H 88 4.541 4.480 0.061 1 1 958 . 11 1 1 A 110 110 GLU C C 88 175.340 175.920 -0.580 1 1 959 . 11 1 1 A 110 110 GLU CA C 88 55.555 56.394 -0.839 1 1 960 . 11 1 1 A 110 110 GLU CB C 88 29.970 29.918 0.052 1 1 962 . 11 1 1 A 110 110 GLU N N 88 123.263 125.825 -2.562 1 1 963 . 11 1 1 A 111 111 ILE H H 89 8.842 8.334 0.508 1 1 964 . 11 1 1 A 111 111 ILE HA H 89 3.911 4.880 -0.969 1 1 974 . 11 1 1 A 111 111 ILE C C 89 173.250 173.755 -0.505 1 1 975 . 11 1 1 A 111 111 ILE CA C 89 61.207 59.143 2.064 1 1 976 . 11 1 1 A 111 111 ILE CB C 89 38.989 41.157 -2.168 1 1 980 . 11 1 1 A 111 111 ILE N N 89 128.558 121.714 6.844 1 1 981 . 11 1 1 A 112 112 ALA H H 90 8.651 8.768 -0.117 1 1 982 . 11 1 1 A 112 112 ALA HA H 90 4.733 4.598 0.135 1 1 986 . 11 1 1 A 112 112 ALA C C 90 177.040 176.596 0.444 1 1 987 . 11 1 1 A 112 112 ALA CA C 90 50.598 50.077 0.521 1 1 988 . 11 1 1 A 112 112 ALA CB C 90 21.517 19.994 1.523 1 1 989 . 11 1 1 A 112 112 ALA N N 90 131.215 127.950 3.265 1 1 990 . 11 1 1 A 113 113 TRP H H 91 9.084 7.990 1.094 1 1 991 . 11 1 1 A 113 113 TRP HA H 91 5.129 5.194 -0.065 1 1 996 . 11 1 1 A 113 113 TRP C C 91 176.725 176.237 0.488 1 1 997 . 11 1 1 A 113 113 TRP CA C 91 56.263 55.800 0.463 1 1 998 . 11 1 1 A 113 113 TRP CB C 91 31.282 30.957 0.325 1 1 999 . 11 1 1 A 113 113 TRP N N 91 125.391 124.551 0.840 1 1 1001 . 11 1 1 A 114 114 GLN H H 92 9.712 9.219 0.493 1 1 1002 . 11 1 1 A 114 114 GLN HA H 92 5.078 4.685 0.393 1 1 1007 . 11 1 1 A 114 114 GLN CA C 92 52.872 54.289 -1.417 1 1 1008 . 11 1 1 A 114 114 GLN CB C 92 30.288 28.319 1.969 1 1 1010 . 11 1 1 A 114 114 GLN N N 92 122.696 121.287 1.409 1 1 1011 . 11 1 1 A 115 115 PRO HA H 93 4.689 4.355 0.334 1 1 1018 . 11 1 1 A 115 115 PRO C C 93 176.690 177.028 -0.338 1 1 1019 . 11 1 1 A 115 115 PRO CA C 93 63.246 65.231 -1.985 1 1 1020 . 11 1 1 A 115 115 PRO CB C 93 32.152 31.738 0.414 1 1 1023 . 11 1 1 A 116 116 ALA H H 94 8.429 8.052 0.377 1 1 1024 . 11 1 1 A 116 116 ALA HA H 94 4.615 4.533 0.082 1 1 1028 . 11 1 1 A 116 116 ALA C C 94 177.230 176.269 0.961 1 1 1029 . 11 1 1 A 116 116 ALA CA C 94 51.966 53.728 -1.762 1 1 1030 . 11 1 1 A 116 116 ALA CB C 94 20.497 17.896 2.601 1 1 1031 . 11 1 1 A 116 116 ALA N N 94 125.566 119.401 6.165 1 1 1032 . 11 1 1 A 117 117 GLU H H 95 8.754 7.786 0.968 1 1 1033 . 11 1 1 A 117 117 GLU HA H 95 4.479 4.792 -0.313 1 1 1038 . 11 1 1 A 117 117 GLU CA C 95 56.146 55.795 0.351 1 1 1039 . 11 1 1 A 117 117 GLU CB C 95 30.856 33.400 -2.544 1 1 11 . 12 1 1 A 24 24 PHE H H 2 8.940 8.259 0.681 1 1 12 . 12 1 1 A 24 24 PHE HA H 2 4.540 5.006 -0.466 1 1 17 . 12 1 1 A 24 24 PHE C C 2 173.640 175.369 -1.729 1 1 18 . 12 1 1 A 24 24 PHE CA C 2 58.262 57.654 0.608 1 1 19 . 12 1 1 A 24 24 PHE CB C 2 40.639 41.069 -0.430 1 1 20 . 12 1 1 A 24 24 PHE N N 2 121.410 123.990 -2.580 1 1 21 . 12 1 1 A 25 25 ARG H H 3 8.559 8.797 -0.238 1 1 22 . 12 1 1 A 25 25 ARG HA H 3 5.932 5.070 0.862 1 1 29 . 12 1 1 A 25 25 ARG C C 3 175.870 174.250 1.620 1 1 30 . 12 1 1 A 25 25 ARG CA C 3 53.965 55.148 -1.183 1 1 31 . 12 1 1 A 25 25 ARG CB C 3 34.959 33.611 1.348 1 1 34 . 12 1 1 A 25 25 ARG N N 3 123.288 121.100 2.188 1 1 35 . 12 1 1 A 26 26 SER H H 4 9.096 8.945 0.151 1 1 36 . 12 1 1 A 26 26 SER HA H 4 5.306 5.546 -0.240 1 1 39 . 12 1 1 A 26 26 SER C C 4 173.230 172.806 0.424 1 1 40 . 12 1 1 A 26 26 SER CA C 4 56.908 56.349 0.559 1 1 41 . 12 1 1 A 26 26 SER CB C 4 66.846 66.590 0.256 1 1 42 . 12 1 1 A 26 26 SER N N 4 120.152 119.804 0.348 1 1 43 . 12 1 1 A 27 27 THR H H 5 8.889 8.917 -0.028 1 1 44 . 12 1 1 A 27 27 THR HA H 5 6.172 5.560 0.612 1 1 49 . 12 1 1 A 27 27 THR C C 5 173.740 172.404 1.336 1 1 50 . 12 1 1 A 27 27 THR CA C 5 59.621 60.801 -1.180 1 1 51 . 12 1 1 A 27 27 THR CB C 5 75.444 71.513 3.931 1 1 53 . 12 1 1 A 27 27 THR N N 5 112.196 114.733 -2.537 1 1 54 . 12 1 1 A 28 28 SER H H 6 8.945 9.089 -0.144 1 1 55 . 12 1 1 A 28 28 SER HA H 6 4.643 5.438 -0.795 1 1 58 . 12 1 1 A 28 28 SER C C 6 173.400 172.721 0.679 1 1 59 . 12 1 1 A 28 28 SER CA C 6 57.727 56.912 0.815 1 1 60 . 12 1 1 A 28 28 SER CB C 6 65.115 64.572 0.543 1 1 61 . 12 1 1 A 28 28 SER N N 6 115.468 121.549 -6.081 1 1 62 . 12 1 1 A 29 29 HIS H H 7 8.713 8.987 -0.274 1 1 63 . 12 1 1 A 29 29 HIS HA H 7 5.046 5.466 -0.420 1 1 67 . 12 1 1 A 29 29 HIS C C 7 175.330 173.743 1.587 1 1 68 . 12 1 1 A 29 29 HIS CA C 7 55.507 53.835 1.672 1 1 69 . 12 1 1 A 29 29 HIS CB C 7 31.214 32.737 -1.523 1 1 70 . 12 1 1 A 29 29 HIS N N 7 130.131 128.123 2.008 1 1 71 . 12 1 1 A 30 30 VAL H H 8 9.318 8.701 0.617 1 1 72 . 12 1 1 A 30 30 VAL HA H 8 4.431 4.825 -0.394 1 1 80 . 12 1 1 A 30 30 VAL C C 8 175.620 174.736 0.884 1 1 81 . 12 1 1 A 30 30 VAL CA C 8 61.142 60.292 0.850 1 1 82 . 12 1 1 A 30 30 VAL CB C 8 33.063 35.749 -2.686 1 1 85 . 12 1 1 A 30 30 VAL N N 8 128.679 126.574 2.105 1 1 86 . 12 1 1 A 31 31 ARG H H 9 9.212 8.675 0.537 1 1 87 . 12 1 1 A 31 31 ARG HA H 9 4.517 5.038 -0.521 1 1 94 . 12 1 1 A 31 31 ARG C C 9 176.520 176.079 0.441 1 1 95 . 12 1 1 A 31 31 ARG CA C 9 57.458 55.307 2.151 1 1 96 . 12 1 1 A 31 31 ARG CB C 9 29.842 30.881 -1.039 1 1 99 . 12 1 1 A 31 31 ARG N N 9 128.640 125.855 2.785 1 1 100 . 12 1 1 A 32 32 THR H H 10 7.941 9.066 -1.125 1 1 101 . 12 1 1 A 32 32 THR HA H 10 4.627 5.100 -0.473 1 1 105 . 12 1 1 A 32 32 THR C C 10 172.560 172.879 -0.319 1 1 106 . 12 1 1 A 32 32 THR CA C 10 61.473 60.472 1.001 1 1 107 . 12 1 1 A 32 32 THR CB C 10 66.191 73.144 -6.953 1 1 109 . 12 1 1 A 32 32 THR N N 10 120.036 118.683 1.353 1 1 110 . 12 1 1 A 33 33 GLU H H 11 9.022 8.928 0.094 1 1 111 . 12 1 1 A 33 33 GLU HA H 11 4.731 4.743 -0.012 1 1 116 . 12 1 1 A 33 33 GLU C C 11 177.810 176.818 0.992 1 1 117 . 12 1 1 A 33 33 GLU CA C 11 57.466 55.347 2.119 1 1 118 . 12 1 1 A 33 33 GLU CB C 11 30.044 31.835 -1.791 1 1 120 . 12 1 1 A 33 33 GLU N N 11 126.859 123.674 3.185 1 1 121 . 12 1 1 A 34 34 SER H H 12 8.930 9.294 -0.364 1 1 122 . 12 1 1 A 34 34 SER HA H 12 4.795 4.096 0.699 1 1 125 . 12 1 1 A 34 34 SER C C 12 173.360 174.476 -1.116 1 1 126 . 12 1 1 A 34 34 SER CA C 12 56.842 58.983 -2.141 1 1 127 . 12 1 1 A 34 34 SER CB C 12 63.756 62.555 1.201 1 1 128 . 12 1 1 A 34 34 SER N N 12 119.717 118.522 1.195 1 1 129 . 12 1 1 A 35 35 ALA H H 13 8.756 7.735 1.021 1 1 130 . 12 1 1 A 35 35 ALA HA H 13 3.542 3.791 -0.249 1 1 134 . 12 1 1 A 35 35 ALA C C 13 178.560 179.110 -0.550 1 1 135 . 12 1 1 A 35 35 ALA CA C 13 56.288 55.076 1.212 1 1 136 . 12 1 1 A 35 35 ALA CB C 13 21.558 18.697 2.861 1 1 137 . 12 1 1 A 35 35 ALA N N 13 121.856 122.629 -0.773 1 1 138 . 12 1 1 A 36 36 ALA H H 14 8.442 8.054 0.388 1 1 139 . 12 1 1 A 36 36 ALA HA H 14 3.691 4.303 -0.612 1 1 143 . 12 1 1 A 36 36 ALA C C 14 179.900 179.626 0.274 1 1 144 . 12 1 1 A 36 36 ALA CA C 14 55.754 54.777 0.977 1 1 145 . 12 1 1 A 36 36 ALA CB C 14 17.368 18.273 -0.905 1 1 146 . 12 1 1 A 36 36 ALA N N 14 117.191 119.368 -2.177 1 1 147 . 12 1 1 A 37 37 ARG H H 15 7.513 7.255 0.258 1 1 148 . 12 1 1 A 37 37 ARG HA H 15 4.097 4.076 0.021 1 1 155 . 12 1 1 A 37 37 ARG C C 15 178.720 178.562 0.158 1 1 156 . 12 1 1 A 37 37 ARG CA C 15 58.699 58.651 0.048 1 1 157 . 12 1 1 A 37 37 ARG CB C 15 30.024 29.861 0.163 1 1 160 . 12 1 1 A 37 37 ARG N N 15 118.952 118.864 0.088 1 1 161 . 12 1 1 A 38 38 TYR H H 16 7.632 8.016 -0.384 1 1 162 . 12 1 1 A 38 38 TYR HA H 16 4.433 4.346 0.087 1 1 166 . 12 1 1 A 38 38 TYR C C 16 178.110 178.417 -0.307 1 1 167 . 12 1 1 A 38 38 TYR CA C 16 58.473 60.908 -2.435 1 1 168 . 12 1 1 A 38 38 TYR CB C 16 36.286 37.866 -1.580 1 1 169 . 12 1 1 A 38 38 TYR N N 16 118.516 119.434 -0.918 1 1 170 . 12 1 1 A 39 39 VAL H H 17 8.680 7.521 1.159 1 1 171 . 12 1 1 A 39 39 VAL HA H 17 3.491 3.775 -0.284 1 1 179 . 12 1 1 A 39 39 VAL C C 17 177.450 178.340 -0.890 1 1 180 . 12 1 1 A 39 39 VAL CA C 17 68.093 66.313 1.780 1 1 181 . 12 1 1 A 39 39 VAL CB C 17 31.943 31.857 0.086 1 1 184 . 12 1 1 A 39 39 VAL N N 17 119.126 120.600 -1.474 1 1 185 . 12 1 1 A 40 40 ASN H H 18 7.813 7.945 -0.132 1 1 186 . 12 1 1 A 40 40 ASN HA H 18 4.280 4.519 -0.239 1 1 189 . 12 1 1 A 40 40 ASN C C 18 177.190 178.175 -0.985 1 1 190 . 12 1 1 A 40 40 ASN CA C 18 57.525 56.484 1.041 1 1 191 . 12 1 1 A 40 40 ASN CB C 18 39.474 37.860 1.614 1 1 192 . 12 1 1 A 40 40 ASN N N 18 118.013 117.872 0.141 1 1 193 . 12 1 1 A 41 41 ARG H H 19 8.425 8.251 0.174 1 1 194 . 12 1 1 A 41 41 ARG HA H 19 4.010 4.181 -0.171 1 1 201 . 12 1 1 A 41 41 ARG C C 19 180.050 179.110 0.940 1 1 202 . 12 1 1 A 41 41 ARG CA C 19 59.734 58.619 1.115 1 1 203 . 12 1 1 A 41 41 ARG CB C 19 30.877 29.885 0.992 1 1 206 . 12 1 1 A 41 41 ARG N N 19 116.687 120.854 -4.167 1 1 207 . 12 1 1 A 42 42 LEU H H 20 8.731 8.040 0.691 1 1 208 . 12 1 1 A 42 42 LEU HA H 20 3.904 4.186 -0.282 1 1 218 . 12 1 1 A 42 42 LEU C C 20 178.690 179.003 -0.313 1 1 219 . 12 1 1 A 42 42 LEU CA C 20 58.238 57.928 0.310 1 1 220 . 12 1 1 A 42 42 LEU CB C 20 41.659 41.772 -0.113 1 1 224 . 12 1 1 A 42 42 LEU N N 20 120.849 119.976 0.873 1 1 225 . 12 1 1 A 43 43 CYS H H 21 8.241 8.354 -0.113 1 1 226 . 12 1 1 A 43 43 CYS HA H 21 4.268 4.120 0.148 1 1 229 . 12 1 1 A 43 43 CYS C C 21 177.530 176.805 0.725 1 1 230 . 12 1 1 A 43 43 CYS CA C 21 65.374 63.356 2.018 1 1 231 . 12 1 1 A 43 43 CYS CB C 21 27.962 27.154 0.808 1 1 232 . 12 1 1 A 43 43 CYS N N 21 115.952 116.916 -0.964 1 1 233 . 12 1 1 A 44 44 LYS H H 22 8.364 7.762 0.602 1 1 234 . 12 1 1 A 44 44 LYS HA H 22 4.091 4.313 -0.222 1 1 243 . 12 1 1 A 44 44 LYS C C 22 179.020 178.738 0.282 1 1 244 . 12 1 1 A 44 44 LYS CA C 22 59.004 57.574 1.430 1 1 245 . 12 1 1 A 44 44 LYS CB C 22 31.921 32.715 -0.794 1 1 249 . 12 1 1 A 44 44 LYS N N 22 119.823 119.577 0.246 1 1 250 . 12 1 1 A 45 45 HIS H H 23 8.036 8.245 -0.209 1 1 251 . 12 1 1 A 45 45 HIS HA H 23 4.408 4.140 0.268 1 1 255 . 12 1 1 A 45 45 HIS C C 23 177.870 176.922 0.948 1 1 256 . 12 1 1 A 45 45 HIS CA C 23 60.404 59.371 1.033 1 1 257 . 12 1 1 A 45 45 HIS CB C 23 30.954 30.674 0.280 1 1 258 . 12 1 1 A 45 45 HIS N N 23 118.729 120.952 -2.223 1 1 259 . 12 1 1 A 46 46 TRP H H 24 8.426 8.704 -0.278 1 1 260 . 12 1 1 A 46 46 TRP HA H 24 4.903 4.627 0.276 1 1 265 . 12 1 1 A 46 46 TRP C C 24 177.900 177.558 0.342 1 1 266 . 12 1 1 A 46 46 TRP CA C 24 58.973 59.098 -0.125 1 1 267 . 12 1 1 A 46 46 TRP CB C 24 29.328 29.535 -0.207 1 1 268 . 12 1 1 A 46 46 TRP N N 24 117.297 116.325 0.972 1 1 270 . 12 1 1 A 47 47 GLY H H 25 8.254 8.512 -0.258 1 1 271 . 12 1 1 A 47 47 GLY HA2 H 25 4.362 4.079 0.283 1 1 272 . 12 1 1 A 47 47 GLY HA3 H 25 3.936 4.130 -0.194 1 1 273 . 12 1 1 A 47 47 GLY CA C 25 46.812 47.482 -0.670 1 1 274 . 12 1 1 A 47 47 GLY N N 25 108.683 108.561 0.122 1 1 275 . 12 1 1 A 48 48 HIS C C 26 176.030 175.179 0.851 1 1 276 . 12 1 1 A 48 48 HIS CA C 26 58.358 57.271 1.087 1 1 277 . 12 1 1 A 48 48 HIS CB C 26 30.438 32.046 -1.608 1 1 278 . 12 1 1 A 49 49 LYS H H 27 7.544 7.966 -0.422 1 1 279 . 12 1 1 A 49 49 LYS HA H 27 4.236 4.365 -0.129 1 1 288 . 12 1 1 A 49 49 LYS C C 27 174.880 174.429 0.451 1 1 289 . 12 1 1 A 49 49 LYS CA C 27 56.572 55.281 1.291 1 1 290 . 12 1 1 A 49 49 LYS CB C 27 35.793 33.880 1.913 1 1 294 . 12 1 1 A 49 49 LYS N N 27 117.278 119.932 -2.654 1 1 295 . 12 1 1 A 50 50 PHE H H 28 8.178 7.694 0.484 1 1 296 . 12 1 1 A 50 50 PHE HA H 28 5.016 5.089 -0.073 1 1 301 . 12 1 1 A 50 50 PHE C C 28 174.190 175.065 -0.875 1 1 302 . 12 1 1 A 50 50 PHE CA C 28 55.756 56.214 -0.458 1 1 303 . 12 1 1 A 50 50 PHE CB C 28 41.140 43.220 -2.080 1 1 304 . 12 1 1 A 50 50 PHE N N 28 118.846 119.099 -0.253 1 1 305 . 12 1 1 A 51 51 GLU H H 29 7.812 8.602 -0.790 1 1 306 . 12 1 1 A 51 51 GLU HA H 29 4.449 4.617 -0.168 1 1 311 . 12 1 1 A 51 51 GLU C C 29 175.570 176.164 -0.594 1 1 312 . 12 1 1 A 51 51 GLU CA C 29 56.852 56.254 0.598 1 1 313 . 12 1 1 A 51 51 GLU CB C 29 30.207 29.856 0.351 1 1 315 . 12 1 1 A 51 51 GLU N N 29 120.355 121.509 -1.154 1 1 316 . 12 1 1 A 52 52 VAL H H 30 8.395 9.005 -0.610 1 1 317 . 12 1 1 A 52 52 VAL HA H 30 5.383 5.517 -0.134 1 1 325 . 12 1 1 A 52 52 VAL C C 30 175.850 174.686 1.164 1 1 326 . 12 1 1 A 52 52 VAL CA C 30 59.969 60.477 -0.508 1 1 327 . 12 1 1 A 52 52 VAL CB C 30 36.173 34.097 2.076 1 1 330 . 12 1 1 A 52 52 VAL N N 30 124.120 121.117 3.003 1 1 331 . 12 1 1 A 53 53 GLU H H 31 9.289 9.223 0.066 1 1 332 . 12 1 1 A 53 53 GLU HA H 31 4.717 4.933 -0.216 1 1 337 . 12 1 1 A 53 53 GLU C C 31 174.370 175.127 -0.757 1 1 338 . 12 1 1 A 53 53 GLU CA C 31 55.415 55.981 -0.566 1 1 339 . 12 1 1 A 53 53 GLU CB C 31 33.211 31.578 1.633 1 1 341 . 12 1 1 A 53 53 GLU N N 31 126.346 126.905 -0.559 1 1 342 . 12 1 1 A 54 54 LEU H H 32 8.763 8.956 -0.193 1 1 343 . 12 1 1 A 54 54 LEU HA H 32 5.375 5.092 0.283 1 1 353 . 12 1 1 A 54 54 LEU C C 32 175.100 175.641 -0.541 1 1 354 . 12 1 1 A 54 54 LEU CA C 32 55.010 53.808 1.202 1 1 355 . 12 1 1 A 54 54 LEU CB C 32 45.485 44.477 1.008 1 1 359 . 12 1 1 A 54 54 LEU N N 32 126.898 126.494 0.404 1 1 360 . 12 1 1 A 55 55 THR H H 33 9.159 8.259 0.900 1 1 361 . 12 1 1 A 55 55 THR HA H 33 4.886 5.039 -0.153 1 1 366 . 12 1 1 A 55 55 THR CA C 33 59.489 58.820 0.669 1 1 367 . 12 1 1 A 55 55 THR CB C 33 69.241 70.354 -1.113 1 1 369 . 12 1 1 A 55 55 THR N N 33 121.246 116.661 4.585 1 1 370 . 12 1 1 A 56 56 PRO HA H 34 4.269 4.611 -0.342 1 1 377 . 12 1 1 A 56 56 PRO C C 34 177.750 175.633 2.117 1 1 378 . 12 1 1 A 56 56 PRO CA C 34 65.968 62.845 3.123 1 1 379 . 12 1 1 A 56 56 PRO CB C 34 31.786 29.703 2.083 1 1 382 . 12 1 1 A 57 57 GLU H H 35 8.148 8.270 -0.122 1 1 383 . 12 1 1 A 57 57 GLU HA H 35 4.351 4.528 -0.177 1 1 388 . 12 1 1 A 57 57 GLU C C 35 175.720 175.888 -0.168 1 1 389 . 12 1 1 A 57 57 GLU CA C 35 57.085 56.880 0.205 1 1 390 . 12 1 1 A 57 57 GLU CB C 35 30.299 32.401 -2.102 1 1 392 . 12 1 1 A 57 57 GLU N N 35 112.303 120.418 -8.115 1 1 393 . 12 1 1 A 58 58 ARG H H 36 7.777 7.834 -0.057 1 1 394 . 12 1 1 A 58 58 ARG HA H 36 5.418 5.081 0.337 1 1 401 . 12 1 1 A 58 58 ARG C C 36 173.610 173.976 -0.366 1 1 402 . 12 1 1 A 58 58 ARG CA C 36 55.576 54.995 0.581 1 1 403 . 12 1 1 A 58 58 ARG CB C 36 33.324 32.594 0.730 1 1 406 . 12 1 1 A 58 58 ARG N N 36 122.018 115.283 6.735 1 1 407 . 12 1 1 A 59 59 GLY H H 37 9.650 8.673 0.977 1 1 408 . 12 1 1 A 59 59 GLY HA2 H 37 5.484 4.232 1.252 1 1 409 . 12 1 1 A 59 59 GLY HA3 H 37 3.554 4.253 -0.699 1 1 410 . 12 1 1 A 59 59 GLY C C 37 171.630 171.920 -0.290 1 1 411 . 12 1 1 A 59 59 GLY CA C 37 44.563 44.545 0.018 1 1 412 . 12 1 1 A 59 59 GLY N N 37 113.745 106.883 6.862 1 1 413 . 12 1 1 A 60 60 PHE H H 38 9.138 8.893 0.245 1 1 414 . 12 1 1 A 60 60 PHE HA H 38 5.472 5.096 0.376 1 1 419 . 12 1 1 A 60 60 PHE C C 38 173.180 174.163 -0.983 1 1 420 . 12 1 1 A 60 60 PHE CA C 38 57.234 56.291 0.943 1 1 421 . 12 1 1 A 60 60 PHE CB C 38 43.107 41.397 1.710 1 1 422 . 12 1 1 A 60 60 PHE N N 38 124.144 125.962 -1.818 1 1 423 . 12 1 1 A 61 61 ILE H H 39 8.618 8.288 0.330 1 1 424 . 12 1 1 A 61 61 ILE HA H 39 4.226 4.896 -0.670 1 1 434 . 12 1 1 A 61 61 ILE C C 39 172.950 173.945 -0.995 1 1 435 . 12 1 1 A 61 61 ILE CA C 39 60.357 60.481 -0.124 1 1 436 . 12 1 1 A 61 61 ILE CB C 39 41.488 39.790 1.698 1 1 440 . 12 1 1 A 61 61 ILE N N 39 126.753 127.288 -0.535 1 1 441 . 12 1 1 A 62 62 ASP H H 40 8.192 8.034 0.158 1 1 442 . 12 1 1 A 62 62 ASP HA H 40 4.464 5.289 -0.825 1 1 445 . 12 1 1 A 62 62 ASP C C 40 176.240 176.489 -0.249 1 1 446 . 12 1 1 A 62 62 ASP CA C 40 52.208 52.355 -0.147 1 1 447 . 12 1 1 A 62 62 ASP CB C 40 41.489 42.557 -1.068 1 1 448 . 12 1 1 A 62 62 ASP N N 40 124.314 127.924 -3.610 1 1 449 . 12 1 1 A 63 63 PHE H H 41 8.165 8.694 -0.529 1 1 450 . 12 1 1 A 63 63 PHE HA H 41 4.007 4.809 -0.802 1 1 454 . 12 1 1 A 63 63 PHE C C 41 175.640 175.810 -0.170 1 1 455 . 12 1 1 A 63 63 PHE CA C 41 58.407 58.022 0.385 1 1 456 . 12 1 1 A 63 63 PHE CB C 41 38.486 39.357 -0.871 1 1 457 . 12 1 1 A 63 63 PHE N N 41 123.395 121.353 2.042 1 1 458 . 12 1 1 A 64 64 GLY H H 42 9.003 7.819 1.184 1 1 459 . 12 1 1 A 64 64 GLY HA2 H 42 4.675 4.024 0.651 1 1 460 . 12 1 1 A 64 64 GLY HA3 H 42 3.484 4.036 -0.552 1 1 461 . 12 1 1 A 64 64 GLY CA C 42 45.938 46.128 -0.190 1 1 462 . 12 1 1 A 64 64 GLY N N 42 112.196 107.541 4.655 1 1 463 . 12 1 1 A 65 65 ASP HA H 43 4.675 4.746 -0.071 1 1 466 . 12 1 1 A 65 65 ASP C C 43 176.170 174.655 1.515 1 1 467 . 12 1 1 A 65 65 ASP CA C 43 55.415 53.261 2.154 1 1 468 . 12 1 1 A 65 65 ASP CB C 43 41.379 38.940 2.439 1 1 469 . 12 1 1 A 66 66 SER H H 44 7.743 7.633 0.110 1 1 470 . 12 1 1 A 66 66 SER HA H 44 5.292 5.021 0.271 1 1 473 . 12 1 1 A 66 66 SER C C 44 172.190 172.224 -0.034 1 1 474 . 12 1 1 A 66 66 SER CA C 44 57.890 57.662 0.228 1 1 475 . 12 1 1 A 66 66 SER CB C 44 66.054 65.841 0.213 1 1 476 . 12 1 1 A 66 66 SER N N 44 112.796 113.453 -0.657 1 1 477 . 12 1 1 A 67 67 ASN H H 45 9.075 8.853 0.222 1 1 478 . 12 1 1 A 67 67 ASN HA H 45 5.126 5.101 0.025 1 1 481 . 12 1 1 A 67 67 ASN C C 45 172.300 173.041 -0.741 1 1 482 . 12 1 1 A 67 67 ASN CA C 45 52.997 51.867 1.130 1 1 483 . 12 1 1 A 67 67 ASN CB C 45 42.047 43.498 -1.451 1 1 484 . 12 1 1 A 67 67 ASN N N 45 114.955 117.231 -2.276 1 1 485 . 12 1 1 A 68 68 CYS H H 46 8.757 8.279 0.478 1 1 486 . 12 1 1 A 68 68 CYS HA H 46 5.652 5.094 0.558 1 1 489 . 12 1 1 A 68 68 CYS C C 46 170.650 172.590 -1.940 1 1 490 . 12 1 1 A 68 68 CYS CA C 46 56.668 58.068 -1.400 1 1 491 . 12 1 1 A 68 68 CYS CB C 46 31.195 29.640 1.555 1 1 492 . 12 1 1 A 68 68 CYS N N 46 119.184 117.653 1.531 1 1 493 . 12 1 1 A 69 69 GLU H H 47 9.587 9.321 0.266 1 1 494 . 12 1 1 A 69 69 GLU HA H 47 5.283 5.473 -0.190 1 1 499 . 12 1 1 A 69 69 GLU C C 47 174.190 174.865 -0.675 1 1 500 . 12 1 1 A 69 69 GLU CA C 47 54.401 55.368 -0.967 1 1 501 . 12 1 1 A 69 69 GLU CB C 47 33.607 32.371 1.236 1 1 503 . 12 1 1 A 69 69 GLU N N 47 131.612 127.452 4.160 1 1 504 . 12 1 1 A 70 70 LEU H H 48 9.523 8.359 1.164 1 1 505 . 12 1 1 A 70 70 LEU HA H 48 5.314 4.921 0.393 1 1 515 . 12 1 1 A 70 70 LEU C C 48 174.730 173.880 0.850 1 1 516 . 12 1 1 A 70 70 LEU CA C 48 53.570 54.479 -0.909 1 1 517 . 12 1 1 A 70 70 LEU CB C 48 46.109 45.651 0.458 1 1 521 . 12 1 1 A 70 70 LEU N N 48 125.069 124.802 0.267 1 1 522 . 12 1 1 A 71 71 LEU H H 49 9.493 9.458 0.035 1 1 523 . 12 1 1 A 71 71 LEU HA H 49 5.001 5.160 -0.159 1 1 533 . 12 1 1 A 71 71 LEU C C 49 175.310 175.121 0.189 1 1 534 . 12 1 1 A 71 71 LEU CA C 49 53.809 53.802 0.007 1 1 535 . 12 1 1 A 71 71 LEU CB C 49 42.880 44.178 -1.298 1 1 539 . 12 1 1 A 71 71 LEU N N 49 123.714 128.655 -4.941 1 1 540 . 12 1 1 A 72 72 ALA H H 50 8.255 8.317 -0.062 1 1 541 . 12 1 1 A 72 72 ALA HA H 50 4.307 5.137 -0.830 1 1 545 . 12 1 1 A 72 72 ALA C C 50 174.800 175.294 -0.494 1 1 546 . 12 1 1 A 72 72 ALA CA C 50 51.618 51.358 0.260 1 1 547 . 12 1 1 A 72 72 ALA CB C 50 18.634 21.427 -2.793 1 1 548 . 12 1 1 A 72 72 ALA N N 50 125.398 128.265 -2.867 1 1 549 . 12 1 1 A 73 73 HIS H H 51 8.053 9.441 -1.388 1 1 550 . 12 1 1 A 73 73 HIS HA H 51 4.953 4.912 0.041 1 1 554 . 12 1 1 A 73 73 HIS CA C 51 54.682 53.891 0.791 1 1 555 . 12 1 1 A 73 73 HIS CB C 51 31.150 32.333 -1.183 1 1 556 . 12 1 1 A 73 73 HIS N N 51 123.172 123.838 -0.666 1 1 557 . 12 1 1 A 74 74 PRO HA H 52 4.385 4.077 0.308 1 1 564 . 12 1 1 A 74 74 PRO C C 52 176.370 176.662 -0.292 1 1 565 . 12 1 1 A 74 74 PRO CA C 52 65.625 64.976 0.649 1 1 566 . 12 1 1 A 74 74 PRO CB C 52 32.014 31.809 0.205 1 1 569 . 12 1 1 A 75 75 ASP H H 53 8.303 8.205 0.098 1 1 570 . 12 1 1 A 75 75 ASP HA H 53 4.955 5.220 -0.265 1 1 573 . 12 1 1 A 75 75 ASP C C 53 177.380 175.308 2.072 1 1 574 . 12 1 1 A 75 75 ASP CA C 53 52.034 54.123 -2.089 1 1 575 . 12 1 1 A 75 75 ASP CB C 53 41.826 42.518 -0.692 1 1 576 . 12 1 1 A 75 75 ASP N N 53 109.961 115.729 -5.768 1 1 577 . 12 1 1 A 76 76 HIS H H 54 7.379 7.553 -0.174 1 1 578 . 12 1 1 A 76 76 HIS HA H 54 5.421 5.425 -0.004 1 1 582 . 12 1 1 A 76 76 HIS C C 54 172.470 172.769 -0.299 1 1 583 . 12 1 1 A 76 76 HIS CA C 54 56.943 54.248 2.695 1 1 584 . 12 1 1 A 76 76 HIS CB C 54 29.909 33.985 -4.076 1 1 585 . 12 1 1 A 76 76 HIS N N 54 114.752 116.653 -1.901 1 1 586 . 12 1 1 A 77 77 VAL H H 55 8.933 8.503 0.430 1 1 587 . 12 1 1 A 77 77 VAL HA H 55 4.837 5.105 -0.268 1 1 595 . 12 1 1 A 77 77 VAL C C 55 173.420 173.897 -0.477 1 1 596 . 12 1 1 A 77 77 VAL CA C 55 59.429 59.861 -0.432 1 1 597 . 12 1 1 A 77 77 VAL CB C 55 35.121 35.551 -0.430 1 1 600 . 12 1 1 A 77 77 VAL N N 55 117.287 119.754 -2.467 1 1 601 . 12 1 1 A 78 78 LEU H H 56 9.004 9.584 -0.580 1 1 602 . 12 1 1 A 78 78 LEU HA H 56 5.466 5.339 0.127 1 1 612 . 12 1 1 A 78 78 LEU C C 56 175.140 175.733 -0.593 1 1 613 . 12 1 1 A 78 78 LEU CA C 56 53.084 53.755 -0.671 1 1 614 . 12 1 1 A 78 78 LEU CB C 56 44.499 45.556 -1.057 1 1 618 . 12 1 1 A 78 78 LEU N N 56 130.334 128.115 2.219 1 1 619 . 12 1 1 A 79 79 MET H H 57 9.381 8.835 0.546 1 1 620 . 12 1 1 A 79 79 MET HA H 57 5.678 5.226 0.452 1 1 625 . 12 1 1 A 79 79 MET C C 57 175.160 174.693 0.467 1 1 626 . 12 1 1 A 79 79 MET CA C 57 54.216 54.367 -0.151 1 1 627 . 12 1 1 A 79 79 MET CB C 57 37.309 35.077 2.232 1 1 629 . 12 1 1 A 79 79 MET N N 57 124.304 122.348 1.956 1 1 630 . 12 1 1 A 80 80 ILE H H 58 9.552 8.708 0.844 1 1 631 . 12 1 1 A 80 80 ILE HA H 58 4.957 5.099 -0.142 1 1 641 . 12 1 1 A 80 80 ILE C C 58 175.160 175.424 -0.264 1 1 642 . 12 1 1 A 80 80 ILE CA C 58 61.338 60.008 1.330 1 1 643 . 12 1 1 A 80 80 ILE CB C 58 41.092 41.415 -0.323 1 1 647 . 12 1 1 A 80 80 ILE N N 58 122.359 124.636 -2.277 1 1 648 . 12 1 1 A 81 81 LEU H H 59 9.549 9.104 0.445 1 1 649 . 12 1 1 A 81 81 LEU HA H 59 5.274 5.191 0.083 1 1 659 . 12 1 1 A 81 81 LEU C C 59 174.280 175.349 -1.069 1 1 660 . 12 1 1 A 81 81 LEU CA C 59 53.621 52.540 1.081 1 1 661 . 12 1 1 A 81 81 LEU CB C 59 46.837 45.533 1.304 1 1 665 . 12 1 1 A 81 81 LEU N N 59 131.901 124.585 7.316 1 1 666 . 12 1 1 A 82 82 ASN H H 60 8.516 8.349 0.167 1 1 667 . 12 1 1 A 82 82 ASN HA H 60 5.851 5.474 0.377 1 1 670 . 12 1 1 A 82 82 ASN C C 60 174.840 173.993 0.847 1 1 671 . 12 1 1 A 82 82 ASN CA C 60 52.549 52.012 0.537 1 1 672 . 12 1 1 A 82 82 ASN CB C 60 43.188 39.714 3.474 1 1 673 . 12 1 1 A 82 82 ASN N N 60 120.142 119.129 1.013 1 1 674 . 12 1 1 A 83 83 SER H H 61 9.176 8.364 0.812 1 1 675 . 12 1 1 A 83 83 SER HA H 61 5.295 4.855 0.440 1 1 678 . 12 1 1 A 83 83 SER CA C 61 57.388 55.660 1.728 1 1 679 . 12 1 1 A 83 83 SER CB C 61 68.052 66.202 1.850 1 1 680 . 12 1 1 A 83 83 SER N N 61 116.871 119.338 -2.467 1 1 681 . 12 1 1 A 84 84 PRO HA H 62 4.907 4.031 0.876 1 1 688 . 12 1 1 A 84 84 PRO C C 62 175.210 175.082 0.128 1 1 689 . 12 1 1 A 84 84 PRO CA C 62 64.539 63.693 0.846 1 1 690 . 12 1 1 A 84 84 PRO CB C 62 32.726 31.657 1.069 1 1 693 . 12 1 1 A 85 85 ASP H H 63 7.228 7.695 -0.467 1 1 694 . 12 1 1 A 85 85 ASP HA H 63 4.630 5.210 -0.580 1 1 697 . 12 1 1 A 85 85 ASP C C 63 174.540 176.313 -1.773 1 1 698 . 12 1 1 A 85 85 ASP CA C 63 53.119 53.362 -0.243 1 1 699 . 12 1 1 A 85 85 ASP CB C 63 42.880 43.362 -0.482 1 1 700 . 12 1 1 A 85 85 ASP N N 63 112.313 118.243 -5.930 1 1 701 . 12 1 1 A 86 86 GLU H H 64 8.761 9.282 -0.521 1 1 702 . 12 1 1 A 86 86 GLU HA H 64 3.321 4.110 -0.789 1 1 707 . 12 1 1 A 86 86 GLU C C 64 178.440 177.555 0.885 1 1 708 . 12 1 1 A 86 86 GLU CA C 64 59.937 59.839 0.098 1 1 709 . 12 1 1 A 86 86 GLU CB C 64 29.707 29.854 -0.147 1 1 711 . 12 1 1 A 86 86 GLU N N 64 120.055 125.447 -5.392 1 1 712 . 12 1 1 A 87 87 ASP H H 65 8.332 8.139 0.193 1 1 713 . 12 1 1 A 87 87 ASP HA H 65 4.414 4.322 0.092 1 1 716 . 12 1 1 A 87 87 ASP C C 65 179.400 178.578 0.822 1 1 717 . 12 1 1 A 87 87 ASP CA C 65 57.203 57.647 -0.444 1 1 718 . 12 1 1 A 87 87 ASP CB C 65 40.323 41.293 -0.970 1 1 719 . 12 1 1 A 87 87 ASP N N 65 121.933 120.079 1.854 1 1 720 . 12 1 1 A 88 88 SER H H 66 8.949 8.156 0.793 1 1 721 . 12 1 1 A 88 88 SER HA H 66 4.169 4.199 -0.030 1 1 724 . 12 1 1 A 88 88 SER C C 66 176.110 176.189 -0.079 1 1 725 . 12 1 1 A 88 88 SER CA C 66 62.032 62.396 -0.364 1 1 726 . 12 1 1 A 88 88 SER CB C 66 62.178 63.034 -0.856 1 1 727 . 12 1 1 A 88 88 SER N N 66 119.726 116.424 3.302 1 1 728 . 12 1 1 A 89 89 LEU H H 67 7.737 8.752 -1.015 1 1 729 . 12 1 1 A 89 89 LEU HA H 67 4.017 4.356 -0.339 1 1 739 . 12 1 1 A 89 89 LEU C C 67 177.790 178.121 -0.331 1 1 740 . 12 1 1 A 89 89 LEU CA C 67 57.958 58.362 -0.404 1 1 741 . 12 1 1 A 89 89 LEU CB C 67 42.394 42.257 0.137 1 1 745 . 12 1 1 A 89 89 LEU N N 67 122.942 122.736 0.206 1 1 746 . 12 1 1 A 90 90 ALA H H 68 7.483 9.275 -1.792 1 1 747 . 12 1 1 A 90 90 ALA HA H 68 3.780 3.973 -0.193 1 1 751 . 12 1 1 A 90 90 ALA C C 68 180.410 179.390 1.020 1 1 752 . 12 1 1 A 90 90 ALA CA C 68 54.782 54.656 0.126 1 1 753 . 12 1 1 A 90 90 ALA CB C 68 17.857 18.432 -0.575 1 1 754 . 12 1 1 A 90 90 ALA N N 68 119.446 120.470 -1.024 1 1 755 . 12 1 1 A 91 91 HIS H H 69 7.707 8.265 -0.558 1 1 756 . 12 1 1 A 91 91 HIS HA H 69 4.377 3.990 0.387 1 1 760 . 12 1 1 A 91 91 HIS C C 69 177.865 177.070 0.795 1 1 761 . 12 1 1 A 91 91 HIS CA C 69 59.518 59.519 -0.001 1 1 762 . 12 1 1 A 91 91 HIS CB C 69 30.954 29.584 1.370 1 1 763 . 12 1 1 A 91 91 HIS N N 69 116.881 117.959 -1.078 1 1 764 . 12 1 1 A 92 92 MET H H 70 8.467 8.275 0.192 1 1 765 . 12 1 1 A 92 92 MET HA H 70 4.087 3.837 0.250 1 1 770 . 12 1 1 A 92 92 MET C C 70 178.390 178.044 0.346 1 1 771 . 12 1 1 A 92 92 MET CA C 70 55.584 58.517 -2.933 1 1 772 . 12 1 1 A 92 92 MET CB C 70 29.773 33.335 -3.562 1 1 774 . 12 1 1 A 92 92 MET N N 70 116.968 116.758 0.210 1 1 775 . 12 1 1 A 93 93 GLN H H 71 8.309 8.188 0.121 1 1 776 . 12 1 1 A 93 93 GLN HA H 71 2.874 3.960 -1.086 1 1 781 . 12 1 1 A 93 93 GLN C C 71 178.420 177.945 0.475 1 1 782 . 12 1 1 A 93 93 GLN CA C 71 58.852 58.481 0.371 1 1 783 . 12 1 1 A 93 93 GLN CB C 71 27.658 27.831 -0.173 1 1 785 . 12 1 1 A 93 93 GLN N N 71 120.665 117.143 3.522 1 1 786 . 12 1 1 A 94 94 ASN H H 72 6.899 8.162 -1.263 1 1 787 . 12 1 1 A 94 94 ASN HA H 72 4.596 4.403 0.193 1 1 790 . 12 1 1 A 94 94 ASN C C 72 177.380 177.469 -0.089 1 1 791 . 12 1 1 A 94 94 ASN CA C 72 56.037 56.074 -0.037 1 1 792 . 12 1 1 A 94 94 ASN CB C 72 38.219 38.511 -0.292 1 1 793 . 12 1 1 A 94 94 ASN N N 72 116.271 118.899 -2.628 1 1 794 . 12 1 1 A 95 95 VAL H H 73 8.050 7.594 0.456 1 1 795 . 12 1 1 A 95 95 VAL HA H 73 3.983 3.457 0.526 1 1 803 . 12 1 1 A 95 95 VAL C C 73 180.050 178.150 1.900 1 1 804 . 12 1 1 A 95 95 VAL CA C 73 66.515 65.962 0.553 1 1 805 . 12 1 1 A 95 95 VAL CB C 73 32.587 31.192 1.395 1 1 808 . 12 1 1 A 95 95 VAL N N 73 121.798 119.450 2.348 1 1 809 . 12 1 1 A 96 96 VAL H H 74 9.082 7.575 1.507 1 1 810 . 12 1 1 A 96 96 VAL HA H 74 3.986 2.735 1.251 1 1 818 . 12 1 1 A 96 96 VAL C C 74 177.490 177.883 -0.393 1 1 819 . 12 1 1 A 96 96 VAL CA C 74 67.947 65.988 1.959 1 1 820 . 12 1 1 A 96 96 VAL CB C 74 31.966 31.224 0.742 1 1 823 . 12 1 1 A 96 96 VAL N N 74 120.549 120.505 0.044 1 1 824 . 12 1 1 A 97 97 ALA H H 75 8.285 7.659 0.626 1 1 825 . 12 1 1 A 97 97 ALA HA H 75 4.108 3.947 0.161 1 1 829 . 12 1 1 A 97 97 ALA C C 75 179.320 179.315 0.005 1 1 830 . 12 1 1 A 97 97 ALA CA C 75 56.117 54.869 1.248 1 1 831 . 12 1 1 A 97 97 ALA CB C 75 19.867 18.420 1.447 1 1 832 . 12 1 1 A 97 97 ALA N N 75 120.375 121.664 -1.289 1 1 833 . 12 1 1 A 98 98 ASP H H 76 8.522 7.650 0.872 1 1 834 . 12 1 1 A 98 98 ASP HA H 76 4.356 4.360 -0.004 1 1 837 . 12 1 1 A 98 98 ASP C C 76 179.100 178.518 0.582 1 1 838 . 12 1 1 A 98 98 ASP CA C 76 57.252 57.273 -0.021 1 1 839 . 12 1 1 A 98 98 ASP CB C 76 41.335 41.065 0.270 1 1 840 . 12 1 1 A 98 98 ASP N N 76 116.871 118.501 -1.630 1 1 841 . 12 1 1 A 99 99 HIS H H 77 8.162 7.679 0.483 1 1 842 . 12 1 1 A 99 99 HIS HA H 77 3.847 4.334 -0.487 1 1 846 . 12 1 1 A 99 99 HIS C C 77 177.440 178.238 -0.798 1 1 847 . 12 1 1 A 99 99 HIS CA C 77 61.636 59.375 2.261 1 1 848 . 12 1 1 A 99 99 HIS CB C 77 29.328 29.695 -0.367 1 1 849 . 12 1 1 A 99 99 HIS N N 77 116.758 118.658 -1.900 1 1 850 . 12 1 1 A 100 100 LEU H H 78 8.718 8.174 0.544 1 1 851 . 12 1 1 A 100 100 LEU HA H 78 3.862 3.933 -0.071 1 1 861 . 12 1 1 A 100 100 LEU C C 78 177.720 179.658 -1.938 1 1 862 . 12 1 1 A 100 100 LEU CA C 78 58.746 57.300 1.446 1 1 863 . 12 1 1 A 100 100 LEU CB C 78 40.324 41.168 -0.844 1 1 867 . 12 1 1 A 100 100 LEU N N 78 120.332 119.207 1.125 1 1 868 . 12 1 1 A 101 101 GLN H H 79 8.167 8.031 0.136 1 1 869 . 12 1 1 A 101 101 GLN HA H 79 3.973 4.040 -0.067 1 1 874 . 12 1 1 A 101 101 GLN C C 79 178.990 178.646 0.344 1 1 875 . 12 1 1 A 101 101 GLN CA C 79 58.359 58.831 -0.472 1 1 876 . 12 1 1 A 101 101 GLN CB C 79 29.575 28.633 0.942 1 1 878 . 12 1 1 A 101 101 GLN N N 79 115.715 120.050 -4.335 1 1 879 . 12 1 1 A 102 102 ARG H H 80 7.835 7.827 0.008 1 1 880 . 12 1 1 A 102 102 ARG HA H 80 3.990 4.062 -0.072 1 1 887 . 12 1 1 A 102 102 ARG C C 80 178.540 177.504 1.036 1 1 888 . 12 1 1 A 102 102 ARG CA C 80 58.789 58.998 -0.209 1 1 889 . 12 1 1 A 102 102 ARG CB C 80 30.218 30.059 0.159 1 1 892 . 12 1 1 A 102 102 ARG N N 80 118.207 118.447 -0.240 1 1 893 . 12 1 1 A 103 103 MET H H 81 7.645 7.861 -0.216 1 1 894 . 12 1 1 A 103 103 MET HA H 81 4.353 4.242 0.111 1 1 899 . 12 1 1 A 103 103 MET C C 81 176.300 176.485 -0.185 1 1 900 . 12 1 1 A 103 103 MET CA C 81 55.646 56.802 -1.156 1 1 901 . 12 1 1 A 103 103 MET CB C 81 32.620 31.906 0.714 1 1 903 . 12 1 1 A 103 103 MET N N 81 116.250 116.120 0.130 1 1 904 . 12 1 1 A 104 104 ALA H H 82 7.324 8.074 -0.750 1 1 905 . 12 1 1 A 104 104 ALA HA H 82 4.386 4.557 -0.171 1 1 909 . 12 1 1 A 104 104 ALA CA C 82 51.004 50.613 0.391 1 1 910 . 12 1 1 A 104 104 ALA CB C 82 17.678 19.094 -1.416 1 1 911 . 12 1 1 A 104 104 ALA N N 82 123.602 121.643 1.959 1 1 912 . 12 1 1 A 106 106 SER HA H 84 4.610 4.636 -0.026 1 1 915 . 12 1 1 A 106 106 SER C C 84 173.480 173.111 0.369 1 1 916 . 12 1 1 A 106 106 SER CA C 84 58.041 58.769 -0.728 1 1 917 . 12 1 1 A 106 106 SER CB C 84 64.139 64.379 -0.240 1 1 918 . 12 1 1 A 107 107 GLU H H 85 7.443 8.194 -0.751 1 1 919 . 12 1 1 A 107 107 GLU HA H 85 4.640 4.961 -0.321 1 1 924 . 12 1 1 A 107 107 GLU CA C 85 55.058 54.338 0.720 1 1 925 . 12 1 1 A 107 107 GLU CB C 85 32.203 32.864 -0.661 1 1 927 . 12 1 1 A 107 107 GLU N N 85 119.316 119.021 0.295 1 1 928 . 12 1 1 A 108 108 SER HA H 86 4.549 4.903 -0.354 1 1 931 . 12 1 1 A 108 108 SER C C 86 174.220 173.783 0.437 1 1 932 . 12 1 1 A 108 108 SER CA C 86 57.291 56.951 0.340 1 1 933 . 12 1 1 A 108 108 SER CB C 86 62.819 61.642 1.177 1 1 934 . 12 1 1 A 109 109 LEU H H 87 9.011 8.571 0.440 1 1 935 . 12 1 1 A 109 109 LEU HA H 87 4.606 3.944 0.662 1 1 945 . 12 1 1 A 109 109 LEU C C 87 176.720 176.238 0.482 1 1 946 . 12 1 1 A 109 109 LEU CA C 87 54.024 55.538 -1.514 1 1 947 . 12 1 1 A 109 109 LEU CB C 87 43.358 40.779 2.579 1 1 951 . 12 1 1 A 109 109 LEU N N 87 126.582 124.655 1.927 1 1 952 . 12 1 1 A 110 110 GLU H H 88 8.530 8.891 -0.361 1 1 953 . 12 1 1 A 110 110 GLU HA H 88 4.541 4.548 -0.007 1 1 958 . 12 1 1 A 110 110 GLU C C 88 175.340 175.999 -0.659 1 1 959 . 12 1 1 A 110 110 GLU CA C 88 55.555 56.534 -0.979 1 1 960 . 12 1 1 A 110 110 GLU CB C 88 29.970 29.974 -0.004 1 1 962 . 12 1 1 A 110 110 GLU N N 88 123.263 125.668 -2.405 1 1 963 . 12 1 1 A 111 111 ILE H H 89 8.842 8.501 0.341 1 1 964 . 12 1 1 A 111 111 ILE HA H 89 3.911 4.969 -1.058 1 1 974 . 12 1 1 A 111 111 ILE C C 89 173.250 174.074 -0.824 1 1 975 . 12 1 1 A 111 111 ILE CA C 89 61.207 59.281 1.926 1 1 976 . 12 1 1 A 111 111 ILE CB C 89 38.989 41.215 -2.226 1 1 980 . 12 1 1 A 111 111 ILE N N 89 128.558 121.843 6.715 1 1 981 . 12 1 1 A 112 112 ALA H H 90 8.651 8.906 -0.255 1 1 982 . 12 1 1 A 112 112 ALA HA H 90 4.733 4.819 -0.086 1 1 986 . 12 1 1 A 112 112 ALA C C 90 177.040 176.754 0.286 1 1 987 . 12 1 1 A 112 112 ALA CA C 90 50.598 50.226 0.372 1 1 988 . 12 1 1 A 112 112 ALA CB C 90 21.517 19.956 1.561 1 1 989 . 12 1 1 A 112 112 ALA N N 90 131.215 128.305 2.910 1 1 990 . 12 1 1 A 113 113 TRP H H 91 9.084 8.445 0.639 1 1 991 . 12 1 1 A 113 113 TRP HA H 91 5.129 5.258 -0.129 1 1 996 . 12 1 1 A 113 113 TRP C C 91 176.725 176.229 0.496 1 1 997 . 12 1 1 A 113 113 TRP CA C 91 56.263 55.386 0.877 1 1 998 . 12 1 1 A 113 113 TRP CB C 91 31.282 31.136 0.146 1 1 999 . 12 1 1 A 113 113 TRP N N 91 125.391 124.536 0.855 1 1 1001 . 12 1 1 A 114 114 GLN H H 92 9.712 9.230 0.482 1 1 1002 . 12 1 1 A 114 114 GLN HA H 92 5.078 4.562 0.516 1 1 1007 . 12 1 1 A 114 114 GLN CA C 92 52.872 54.266 -1.394 1 1 1008 . 12 1 1 A 114 114 GLN CB C 92 30.288 28.298 1.990 1 1 1010 . 12 1 1 A 114 114 GLN N N 92 122.696 121.337 1.359 1 1 1011 . 12 1 1 A 115 115 PRO HA H 93 4.689 4.613 0.076 1 1 1018 . 12 1 1 A 115 115 PRO C C 93 176.690 177.141 -0.451 1 1 1019 . 12 1 1 A 115 115 PRO CA C 93 63.246 65.345 -2.099 1 1 1020 . 12 1 1 A 115 115 PRO CB C 93 32.152 31.873 0.279 1 1 1023 . 12 1 1 A 116 116 ALA H H 94 8.429 8.046 0.383 1 1 1024 . 12 1 1 A 116 116 ALA HA H 94 4.615 4.547 0.068 1 1 1028 . 12 1 1 A 116 116 ALA C C 94 177.230 175.979 1.251 1 1 1029 . 12 1 1 A 116 116 ALA CA C 94 51.966 53.715 -1.749 1 1 1030 . 12 1 1 A 116 116 ALA CB C 94 20.497 17.762 2.735 1 1 1031 . 12 1 1 A 116 116 ALA N N 94 125.566 119.386 6.180 1 1 1032 . 12 1 1 A 117 117 GLU H H 95 8.754 7.737 1.017 1 1 1033 . 12 1 1 A 117 117 GLU HA H 95 4.479 5.029 -0.550 1 1 1038 . 12 1 1 A 117 117 GLU CA C 95 56.146 55.523 0.623 1 1 1039 . 12 1 1 A 117 117 GLU CB C 95 30.856 32.971 -2.115 1 1 11 . 13 1 1 A 24 24 PHE H H 2 8.940 8.213 0.727 1 1 12 . 13 1 1 A 24 24 PHE HA H 2 4.540 4.997 -0.457 1 1 17 . 13 1 1 A 24 24 PHE C C 2 173.640 175.357 -1.717 1 1 18 . 13 1 1 A 24 24 PHE CA C 2 58.262 57.642 0.620 1 1 19 . 13 1 1 A 24 24 PHE CB C 2 40.639 41.041 -0.402 1 1 20 . 13 1 1 A 24 24 PHE N N 2 121.410 124.414 -3.004 1 1 21 . 13 1 1 A 25 25 ARG H H 3 8.559 8.904 -0.345 1 1 22 . 13 1 1 A 25 25 ARG HA H 3 5.932 5.064 0.868 1 1 29 . 13 1 1 A 25 25 ARG C C 3 175.870 174.218 1.652 1 1 30 . 13 1 1 A 25 25 ARG CA C 3 53.965 55.135 -1.170 1 1 31 . 13 1 1 A 25 25 ARG CB C 3 34.959 33.600 1.359 1 1 34 . 13 1 1 A 25 25 ARG N N 3 123.288 121.013 2.275 1 1 35 . 13 1 1 A 26 26 SER H H 4 9.096 8.928 0.168 1 1 36 . 13 1 1 A 26 26 SER HA H 4 5.306 5.488 -0.182 1 1 39 . 13 1 1 A 26 26 SER C C 4 173.230 172.772 0.458 1 1 40 . 13 1 1 A 26 26 SER CA C 4 56.908 56.319 0.589 1 1 41 . 13 1 1 A 26 26 SER CB C 4 66.846 66.639 0.207 1 1 42 . 13 1 1 A 26 26 SER N N 4 120.152 119.649 0.503 1 1 43 . 13 1 1 A 27 27 THR H H 5 8.889 8.890 -0.001 1 1 44 . 13 1 1 A 27 27 THR HA H 5 6.172 5.558 0.614 1 1 49 . 13 1 1 A 27 27 THR C C 5 173.740 172.300 1.440 1 1 50 . 13 1 1 A 27 27 THR CA C 5 59.621 60.707 -1.086 1 1 51 . 13 1 1 A 27 27 THR CB C 5 75.444 71.442 4.002 1 1 53 . 13 1 1 A 27 27 THR N N 5 112.196 114.730 -2.534 1 1 54 . 13 1 1 A 28 28 SER H H 6 8.945 9.060 -0.115 1 1 55 . 13 1 1 A 28 28 SER HA H 6 4.643 5.608 -0.965 1 1 58 . 13 1 1 A 28 28 SER C C 6 173.400 172.758 0.642 1 1 59 . 13 1 1 A 28 28 SER CA C 6 57.727 56.899 0.828 1 1 60 . 13 1 1 A 28 28 SER CB C 6 65.115 64.446 0.669 1 1 61 . 13 1 1 A 28 28 SER N N 6 115.468 122.128 -6.660 1 1 62 . 13 1 1 A 29 29 HIS H H 7 8.713 8.996 -0.283 1 1 63 . 13 1 1 A 29 29 HIS HA H 7 5.046 5.445 -0.399 1 1 67 . 13 1 1 A 29 29 HIS C C 7 175.330 173.648 1.682 1 1 68 . 13 1 1 A 29 29 HIS CA C 7 55.507 54.082 1.425 1 1 69 . 13 1 1 A 29 29 HIS CB C 7 31.214 32.862 -1.648 1 1 70 . 13 1 1 A 29 29 HIS N N 7 130.131 127.932 2.199 1 1 71 . 13 1 1 A 30 30 VAL H H 8 9.318 8.662 0.656 1 1 72 . 13 1 1 A 30 30 VAL HA H 8 4.431 4.823 -0.392 1 1 80 . 13 1 1 A 30 30 VAL C C 8 175.620 174.757 0.863 1 1 81 . 13 1 1 A 30 30 VAL CA C 8 61.142 60.290 0.852 1 1 82 . 13 1 1 A 30 30 VAL CB C 8 33.063 35.715 -2.652 1 1 85 . 13 1 1 A 30 30 VAL N N 8 128.679 126.341 2.338 1 1 86 . 13 1 1 A 31 31 ARG H H 9 9.212 8.676 0.536 1 1 87 . 13 1 1 A 31 31 ARG HA H 9 4.517 5.026 -0.509 1 1 94 . 13 1 1 A 31 31 ARG C C 9 176.520 175.782 0.738 1 1 95 . 13 1 1 A 31 31 ARG CA C 9 57.458 55.218 2.240 1 1 96 . 13 1 1 A 31 31 ARG CB C 9 29.842 31.054 -1.212 1 1 99 . 13 1 1 A 31 31 ARG N N 9 128.640 125.669 2.971 1 1 100 . 13 1 1 A 32 32 THR H H 10 7.941 8.896 -0.955 1 1 101 . 13 1 1 A 32 32 THR HA H 10 4.627 5.071 -0.444 1 1 105 . 13 1 1 A 32 32 THR C C 10 172.560 172.788 -0.228 1 1 106 . 13 1 1 A 32 32 THR CA C 10 61.473 59.853 1.620 1 1 107 . 13 1 1 A 32 32 THR CB C 10 66.191 73.068 -6.877 1 1 109 . 13 1 1 A 32 32 THR N N 10 120.036 118.829 1.207 1 1 110 . 13 1 1 A 33 33 GLU H H 11 9.022 8.967 0.055 1 1 111 . 13 1 1 A 33 33 GLU HA H 11 4.731 5.039 -0.308 1 1 116 . 13 1 1 A 33 33 GLU C C 11 177.810 176.840 0.970 1 1 117 . 13 1 1 A 33 33 GLU CA C 11 57.466 55.381 2.085 1 1 118 . 13 1 1 A 33 33 GLU CB C 11 30.044 31.800 -1.756 1 1 120 . 13 1 1 A 33 33 GLU N N 11 126.859 123.184 3.675 1 1 121 . 13 1 1 A 34 34 SER H H 12 8.930 9.591 -0.661 1 1 122 . 13 1 1 A 34 34 SER HA H 12 4.795 4.123 0.672 1 1 125 . 13 1 1 A 34 34 SER C C 12 173.360 174.467 -1.107 1 1 126 . 13 1 1 A 34 34 SER CA C 12 56.842 59.000 -2.158 1 1 127 . 13 1 1 A 34 34 SER CB C 12 63.756 62.573 1.183 1 1 128 . 13 1 1 A 34 34 SER N N 12 119.717 118.603 1.114 1 1 129 . 13 1 1 A 35 35 ALA H H 13 8.756 7.799 0.957 1 1 130 . 13 1 1 A 35 35 ALA HA H 13 3.542 3.797 -0.255 1 1 134 . 13 1 1 A 35 35 ALA C C 13 178.560 179.250 -0.690 1 1 135 . 13 1 1 A 35 35 ALA CA C 13 56.288 55.074 1.214 1 1 136 . 13 1 1 A 35 35 ALA CB C 13 21.558 18.653 2.905 1 1 137 . 13 1 1 A 35 35 ALA N N 13 121.856 122.622 -0.766 1 1 138 . 13 1 1 A 36 36 ALA H H 14 8.442 8.117 0.325 1 1 139 . 13 1 1 A 36 36 ALA HA H 14 3.691 3.974 -0.283 1 1 143 . 13 1 1 A 36 36 ALA C C 14 179.900 179.600 0.300 1 1 144 . 13 1 1 A 36 36 ALA CA C 14 55.754 54.701 1.053 1 1 145 . 13 1 1 A 36 36 ALA CB C 14 17.368 18.255 -0.887 1 1 146 . 13 1 1 A 36 36 ALA N N 14 117.191 119.293 -2.102 1 1 147 . 13 1 1 A 37 37 ARG H H 15 7.513 7.197 0.316 1 1 148 . 13 1 1 A 37 37 ARG HA H 15 4.097 4.059 0.038 1 1 155 . 13 1 1 A 37 37 ARG C C 15 178.720 178.588 0.132 1 1 156 . 13 1 1 A 37 37 ARG CA C 15 58.699 58.569 0.130 1 1 157 . 13 1 1 A 37 37 ARG CB C 15 30.024 29.836 0.188 1 1 160 . 13 1 1 A 37 37 ARG N N 15 118.952 118.895 0.057 1 1 161 . 13 1 1 A 38 38 TYR H H 16 7.632 7.937 -0.305 1 1 162 . 13 1 1 A 38 38 TYR HA H 16 4.433 4.330 0.103 1 1 166 . 13 1 1 A 38 38 TYR C C 16 178.110 178.402 -0.292 1 1 167 . 13 1 1 A 38 38 TYR CA C 16 58.473 61.194 -2.721 1 1 168 . 13 1 1 A 38 38 TYR CB C 16 36.286 37.763 -1.477 1 1 169 . 13 1 1 A 38 38 TYR N N 16 118.516 119.290 -0.774 1 1 170 . 13 1 1 A 39 39 VAL H H 17 8.680 7.400 1.280 1 1 171 . 13 1 1 A 39 39 VAL HA H 17 3.491 3.848 -0.357 1 1 179 . 13 1 1 A 39 39 VAL C C 17 177.450 178.147 -0.697 1 1 180 . 13 1 1 A 39 39 VAL CA C 17 68.093 65.944 2.149 1 1 181 . 13 1 1 A 39 39 VAL CB C 17 31.943 31.955 -0.012 1 1 184 . 13 1 1 A 39 39 VAL N N 17 119.126 120.587 -1.461 1 1 185 . 13 1 1 A 40 40 ASN H H 18 7.813 7.931 -0.118 1 1 186 . 13 1 1 A 40 40 ASN HA H 18 4.280 4.502 -0.222 1 1 189 . 13 1 1 A 40 40 ASN C C 18 177.190 178.094 -0.904 1 1 190 . 13 1 1 A 40 40 ASN CA C 18 57.525 56.483 1.042 1 1 191 . 13 1 1 A 40 40 ASN CB C 18 39.474 37.823 1.651 1 1 192 . 13 1 1 A 40 40 ASN N N 18 118.013 117.675 0.338 1 1 193 . 13 1 1 A 41 41 ARG H H 19 8.425 8.130 0.295 1 1 194 . 13 1 1 A 41 41 ARG HA H 19 4.010 4.124 -0.114 1 1 201 . 13 1 1 A 41 41 ARG C C 19 180.050 179.198 0.852 1 1 202 . 13 1 1 A 41 41 ARG CA C 19 59.734 58.832 0.902 1 1 203 . 13 1 1 A 41 41 ARG CB C 19 30.877 29.797 1.080 1 1 206 . 13 1 1 A 41 41 ARG N N 19 116.687 120.872 -4.185 1 1 207 . 13 1 1 A 42 42 LEU H H 20 8.731 8.001 0.730 1 1 208 . 13 1 1 A 42 42 LEU HA H 20 3.904 4.075 -0.171 1 1 218 . 13 1 1 A 42 42 LEU C C 20 178.690 178.577 0.113 1 1 219 . 13 1 1 A 42 42 LEU CA C 20 58.238 57.809 0.429 1 1 220 . 13 1 1 A 42 42 LEU CB C 20 41.659 41.830 -0.171 1 1 224 . 13 1 1 A 42 42 LEU N N 20 120.849 120.087 0.762 1 1 225 . 13 1 1 A 43 43 CYS H H 21 8.241 8.686 -0.445 1 1 226 . 13 1 1 A 43 43 CYS HA H 21 4.268 4.191 0.077 1 1 229 . 13 1 1 A 43 43 CYS C C 21 177.530 176.872 0.658 1 1 230 . 13 1 1 A 43 43 CYS CA C 21 65.374 62.571 2.803 1 1 231 . 13 1 1 A 43 43 CYS CB C 21 27.962 27.235 0.727 1 1 232 . 13 1 1 A 43 43 CYS N N 21 115.952 117.651 -1.699 1 1 233 . 13 1 1 A 44 44 LYS H H 22 8.364 8.006 0.358 1 1 234 . 13 1 1 A 44 44 LYS HA H 22 4.091 4.253 -0.162 1 1 243 . 13 1 1 A 44 44 LYS C C 22 179.020 178.707 0.313 1 1 244 . 13 1 1 A 44 44 LYS CA C 22 59.004 57.964 1.040 1 1 245 . 13 1 1 A 44 44 LYS CB C 22 31.921 32.583 -0.662 1 1 249 . 13 1 1 A 44 44 LYS N N 22 119.823 120.375 -0.552 1 1 250 . 13 1 1 A 45 45 HIS H H 23 8.036 8.268 -0.232 1 1 251 . 13 1 1 A 45 45 HIS HA H 23 4.408 4.086 0.322 1 1 255 . 13 1 1 A 45 45 HIS C C 23 177.870 176.699 1.171 1 1 256 . 13 1 1 A 45 45 HIS CA C 23 60.404 59.183 1.221 1 1 257 . 13 1 1 A 45 45 HIS CB C 23 30.954 30.396 0.558 1 1 258 . 13 1 1 A 45 45 HIS N N 23 118.729 120.966 -2.237 1 1 259 . 13 1 1 A 46 46 TRP H H 24 8.426 8.542 -0.116 1 1 260 . 13 1 1 A 46 46 TRP HA H 24 4.903 4.637 0.266 1 1 265 . 13 1 1 A 46 46 TRP C C 24 177.900 177.781 0.119 1 1 266 . 13 1 1 A 46 46 TRP CA C 24 58.973 59.372 -0.399 1 1 267 . 13 1 1 A 46 46 TRP CB C 24 29.328 29.150 0.178 1 1 268 . 13 1 1 A 46 46 TRP N N 24 117.297 116.678 0.619 1 1 270 . 13 1 1 A 47 47 GLY H H 25 8.254 8.279 -0.025 1 1 271 . 13 1 1 A 47 47 GLY HA2 H 25 4.362 4.090 0.272 1 1 272 . 13 1 1 A 47 47 GLY HA3 H 25 3.936 4.151 -0.215 1 1 273 . 13 1 1 A 47 47 GLY CA C 25 46.812 47.473 -0.661 1 1 274 . 13 1 1 A 47 47 GLY N N 25 108.683 108.583 0.100 1 1 275 . 13 1 1 A 48 48 HIS C C 26 176.030 175.203 0.827 1 1 276 . 13 1 1 A 48 48 HIS CA C 26 58.358 57.228 1.130 1 1 277 . 13 1 1 A 48 48 HIS CB C 26 30.438 32.261 -1.823 1 1 278 . 13 1 1 A 49 49 LYS H H 27 7.544 7.983 -0.439 1 1 279 . 13 1 1 A 49 49 LYS HA H 27 4.236 4.377 -0.141 1 1 288 . 13 1 1 A 49 49 LYS C C 27 174.880 174.422 0.458 1 1 289 . 13 1 1 A 49 49 LYS CA C 27 56.572 55.288 1.284 1 1 290 . 13 1 1 A 49 49 LYS CB C 27 35.793 33.891 1.902 1 1 294 . 13 1 1 A 49 49 LYS N N 27 117.278 120.185 -2.907 1 1 295 . 13 1 1 A 50 50 PHE H H 28 8.178 7.695 0.483 1 1 296 . 13 1 1 A 50 50 PHE HA H 28 5.016 5.084 -0.068 1 1 301 . 13 1 1 A 50 50 PHE C C 28 174.190 175.047 -0.857 1 1 302 . 13 1 1 A 50 50 PHE CA C 28 55.756 56.204 -0.448 1 1 303 . 13 1 1 A 50 50 PHE CB C 28 41.140 43.219 -2.079 1 1 304 . 13 1 1 A 50 50 PHE N N 28 118.846 119.110 -0.264 1 1 305 . 13 1 1 A 51 51 GLU H H 29 7.812 8.574 -0.762 1 1 306 . 13 1 1 A 51 51 GLU HA H 29 4.449 4.573 -0.124 1 1 311 . 13 1 1 A 51 51 GLU C C 29 175.570 176.156 -0.586 1 1 312 . 13 1 1 A 51 51 GLU CA C 29 56.852 56.351 0.501 1 1 313 . 13 1 1 A 51 51 GLU CB C 29 30.207 29.845 0.362 1 1 315 . 13 1 1 A 51 51 GLU N N 29 120.355 121.222 -0.867 1 1 316 . 13 1 1 A 52 52 VAL H H 30 8.395 8.996 -0.601 1 1 317 . 13 1 1 A 52 52 VAL HA H 30 5.383 5.511 -0.128 1 1 325 . 13 1 1 A 52 52 VAL C C 30 175.850 174.429 1.421 1 1 326 . 13 1 1 A 52 52 VAL CA C 30 59.969 60.621 -0.652 1 1 327 . 13 1 1 A 52 52 VAL CB C 30 36.173 34.260 1.913 1 1 330 . 13 1 1 A 52 52 VAL N N 30 124.120 120.854 3.266 1 1 331 . 13 1 1 A 53 53 GLU H H 31 9.289 9.377 -0.088 1 1 332 . 13 1 1 A 53 53 GLU HA H 31 4.717 5.009 -0.292 1 1 337 . 13 1 1 A 53 53 GLU C C 31 174.370 175.357 -0.987 1 1 338 . 13 1 1 A 53 53 GLU CA C 31 55.415 56.155 -0.740 1 1 339 . 13 1 1 A 53 53 GLU CB C 31 33.211 31.881 1.330 1 1 341 . 13 1 1 A 53 53 GLU N N 31 126.346 127.034 -0.688 1 1 342 . 13 1 1 A 54 54 LEU H H 32 8.763 8.662 0.101 1 1 343 . 13 1 1 A 54 54 LEU HA H 32 5.375 4.998 0.377 1 1 353 . 13 1 1 A 54 54 LEU C C 32 175.100 175.152 -0.052 1 1 354 . 13 1 1 A 54 54 LEU CA C 32 55.010 54.419 0.591 1 1 355 . 13 1 1 A 54 54 LEU CB C 32 45.485 45.455 0.030 1 1 359 . 13 1 1 A 54 54 LEU N N 32 126.898 123.866 3.032 1 1 360 . 13 1 1 A 55 55 THR H H 33 9.159 8.400 0.759 1 1 361 . 13 1 1 A 55 55 THR HA H 33 4.886 5.054 -0.168 1 1 366 . 13 1 1 A 55 55 THR CA C 33 59.489 58.416 1.073 1 1 367 . 13 1 1 A 55 55 THR CB C 33 69.241 70.048 -0.807 1 1 369 . 13 1 1 A 55 55 THR N N 33 121.246 117.136 4.110 1 1 370 . 13 1 1 A 56 56 PRO HA H 34 4.269 4.567 -0.298 1 1 377 . 13 1 1 A 56 56 PRO C C 34 177.750 175.444 2.306 1 1 378 . 13 1 1 A 56 56 PRO CA C 34 65.968 62.760 3.208 1 1 379 . 13 1 1 A 56 56 PRO CB C 34 31.786 29.489 2.297 1 1 382 . 13 1 1 A 57 57 GLU H H 35 8.148 8.741 -0.593 1 1 383 . 13 1 1 A 57 57 GLU HA H 35 4.351 4.485 -0.134 1 1 388 . 13 1 1 A 57 57 GLU C C 35 175.720 175.779 -0.059 1 1 389 . 13 1 1 A 57 57 GLU CA C 35 57.085 56.848 0.237 1 1 390 . 13 1 1 A 57 57 GLU CB C 35 30.299 32.264 -1.965 1 1 392 . 13 1 1 A 57 57 GLU N N 35 112.303 120.471 -8.168 1 1 393 . 13 1 1 A 58 58 ARG H H 36 7.777 7.468 0.309 1 1 394 . 13 1 1 A 58 58 ARG HA H 36 5.418 5.261 0.157 1 1 401 . 13 1 1 A 58 58 ARG C C 36 173.610 173.807 -0.197 1 1 402 . 13 1 1 A 58 58 ARG CA C 36 55.576 55.002 0.574 1 1 403 . 13 1 1 A 58 58 ARG CB C 36 33.324 32.622 0.702 1 1 406 . 13 1 1 A 58 58 ARG N N 36 122.018 114.976 7.042 1 1 407 . 13 1 1 A 59 59 GLY H H 37 9.650 8.562 1.088 1 1 408 . 13 1 1 A 59 59 GLY HA2 H 37 5.484 4.337 1.147 1 1 409 . 13 1 1 A 59 59 GLY HA3 H 37 3.554 4.343 -0.789 1 1 410 . 13 1 1 A 59 59 GLY C C 37 171.630 172.053 -0.423 1 1 411 . 13 1 1 A 59 59 GLY CA C 37 44.563 44.146 0.417 1 1 412 . 13 1 1 A 59 59 GLY N N 37 113.745 106.874 6.871 1 1 413 . 13 1 1 A 60 60 PHE H H 38 9.138 8.603 0.535 1 1 414 . 13 1 1 A 60 60 PHE HA H 38 5.472 5.261 0.211 1 1 419 . 13 1 1 A 60 60 PHE C C 38 173.180 173.862 -0.682 1 1 420 . 13 1 1 A 60 60 PHE CA C 38 57.234 56.164 1.070 1 1 421 . 13 1 1 A 60 60 PHE CB C 38 43.107 42.395 0.712 1 1 422 . 13 1 1 A 60 60 PHE N N 38 124.144 122.897 1.247 1 1 423 . 13 1 1 A 61 61 ILE H H 39 8.618 8.427 0.191 1 1 424 . 13 1 1 A 61 61 ILE HA H 39 4.226 4.883 -0.657 1 1 434 . 13 1 1 A 61 61 ILE C C 39 172.950 173.989 -1.039 1 1 435 . 13 1 1 A 61 61 ILE CA C 39 60.357 60.529 -0.172 1 1 436 . 13 1 1 A 61 61 ILE CB C 39 41.488 39.870 1.618 1 1 440 . 13 1 1 A 61 61 ILE N N 39 126.753 127.271 -0.518 1 1 441 . 13 1 1 A 62 62 ASP H H 40 8.192 8.102 0.090 1 1 442 . 13 1 1 A 62 62 ASP HA H 40 4.464 5.331 -0.867 1 1 445 . 13 1 1 A 62 62 ASP C C 40 176.240 176.567 -0.327 1 1 446 . 13 1 1 A 62 62 ASP CA C 40 52.208 52.181 0.027 1 1 447 . 13 1 1 A 62 62 ASP CB C 40 41.489 42.620 -1.131 1 1 448 . 13 1 1 A 62 62 ASP N N 40 124.314 128.245 -3.931 1 1 449 . 13 1 1 A 63 63 PHE H H 41 8.165 8.774 -0.609 1 1 450 . 13 1 1 A 63 63 PHE HA H 41 4.007 4.759 -0.752 1 1 454 . 13 1 1 A 63 63 PHE C C 41 175.640 175.799 -0.159 1 1 455 . 13 1 1 A 63 63 PHE CA C 41 58.407 57.895 0.512 1 1 456 . 13 1 1 A 63 63 PHE CB C 41 38.486 39.333 -0.847 1 1 457 . 13 1 1 A 63 63 PHE N N 41 123.395 121.206 2.189 1 1 458 . 13 1 1 A 64 64 GLY H H 42 9.003 7.966 1.037 1 1 459 . 13 1 1 A 64 64 GLY HA2 H 42 4.675 4.004 0.671 1 1 460 . 13 1 1 A 64 64 GLY HA3 H 42 3.484 4.014 -0.530 1 1 461 . 13 1 1 A 64 64 GLY CA C 42 45.938 46.443 -0.505 1 1 462 . 13 1 1 A 64 64 GLY N N 42 112.196 107.863 4.333 1 1 463 . 13 1 1 A 65 65 ASP HA H 43 4.675 4.736 -0.061 1 1 466 . 13 1 1 A 65 65 ASP C C 43 176.170 174.703 1.467 1 1 467 . 13 1 1 A 65 65 ASP CA C 43 55.415 53.277 2.138 1 1 468 . 13 1 1 A 65 65 ASP CB C 43 41.379 38.925 2.454 1 1 469 . 13 1 1 A 66 66 SER H H 44 7.743 7.629 0.114 1 1 470 . 13 1 1 A 66 66 SER HA H 44 5.292 5.080 0.212 1 1 473 . 13 1 1 A 66 66 SER C C 44 172.190 172.315 -0.125 1 1 474 . 13 1 1 A 66 66 SER CA C 44 57.890 57.678 0.212 1 1 475 . 13 1 1 A 66 66 SER CB C 44 66.054 65.783 0.271 1 1 476 . 13 1 1 A 66 66 SER N N 44 112.796 113.419 -0.623 1 1 477 . 13 1 1 A 67 67 ASN H H 45 9.075 9.019 0.056 1 1 478 . 13 1 1 A 67 67 ASN HA H 45 5.126 5.185 -0.059 1 1 481 . 13 1 1 A 67 67 ASN C C 45 172.300 173.773 -1.473 1 1 482 . 13 1 1 A 67 67 ASN CA C 45 52.997 51.718 1.279 1 1 483 . 13 1 1 A 67 67 ASN CB C 45 42.047 43.539 -1.492 1 1 484 . 13 1 1 A 67 67 ASN N N 45 114.955 117.213 -2.258 1 1 485 . 13 1 1 A 68 68 CYS H H 46 8.757 8.273 0.484 1 1 486 . 13 1 1 A 68 68 CYS HA H 46 5.652 4.900 0.752 1 1 489 . 13 1 1 A 68 68 CYS C C 46 170.650 172.921 -2.271 1 1 490 . 13 1 1 A 68 68 CYS CA C 46 56.668 58.279 -1.611 1 1 491 . 13 1 1 A 68 68 CYS CB C 46 31.195 29.239 1.956 1 1 492 . 13 1 1 A 68 68 CYS N N 46 119.184 118.522 0.662 1 1 493 . 13 1 1 A 69 69 GLU H H 47 9.587 9.368 0.219 1 1 494 . 13 1 1 A 69 69 GLU HA H 47 5.283 5.652 -0.369 1 1 499 . 13 1 1 A 69 69 GLU C C 47 174.190 175.143 -0.953 1 1 500 . 13 1 1 A 69 69 GLU CA C 47 54.401 55.428 -1.027 1 1 501 . 13 1 1 A 69 69 GLU CB C 47 33.607 32.732 0.875 1 1 503 . 13 1 1 A 69 69 GLU N N 47 131.612 128.592 3.020 1 1 504 . 13 1 1 A 70 70 LEU H H 48 9.523 8.587 0.936 1 1 505 . 13 1 1 A 70 70 LEU HA H 48 5.314 5.273 0.041 1 1 515 . 13 1 1 A 70 70 LEU C C 48 174.730 175.052 -0.322 1 1 516 . 13 1 1 A 70 70 LEU CA C 48 53.570 53.200 0.370 1 1 517 . 13 1 1 A 70 70 LEU CB C 48 46.109 45.086 1.023 1 1 521 . 13 1 1 A 70 70 LEU N N 48 125.069 121.950 3.119 1 1 522 . 13 1 1 A 71 71 LEU H H 49 9.493 9.380 0.113 1 1 523 . 13 1 1 A 71 71 LEU HA H 49 5.001 5.289 -0.288 1 1 533 . 13 1 1 A 71 71 LEU C C 49 175.310 174.985 0.325 1 1 534 . 13 1 1 A 71 71 LEU CA C 49 53.809 53.916 -0.107 1 1 535 . 13 1 1 A 71 71 LEU CB C 49 42.880 44.095 -1.215 1 1 539 . 13 1 1 A 71 71 LEU N N 49 123.714 126.011 -2.297 1 1 540 . 13 1 1 A 72 72 ALA H H 50 8.255 8.889 -0.634 1 1 541 . 13 1 1 A 72 72 ALA HA H 50 4.307 4.958 -0.651 1 1 545 . 13 1 1 A 72 72 ALA C C 50 174.800 175.486 -0.686 1 1 546 . 13 1 1 A 72 72 ALA CA C 50 51.618 50.846 0.772 1 1 547 . 13 1 1 A 72 72 ALA CB C 50 18.634 21.100 -2.466 1 1 548 . 13 1 1 A 72 72 ALA N N 50 125.398 129.366 -3.968 1 1 549 . 13 1 1 A 73 73 HIS H H 51 8.053 9.594 -1.541 1 1 550 . 13 1 1 A 73 73 HIS HA H 51 4.953 4.894 0.059 1 1 554 . 13 1 1 A 73 73 HIS CA C 51 54.682 53.757 0.925 1 1 555 . 13 1 1 A 73 73 HIS CB C 51 31.150 31.977 -0.827 1 1 556 . 13 1 1 A 73 73 HIS N N 51 123.172 124.603 -1.431 1 1 557 . 13 1 1 A 74 74 PRO HA H 52 4.385 4.086 0.299 1 1 564 . 13 1 1 A 74 74 PRO C C 52 176.370 177.408 -1.038 1 1 565 . 13 1 1 A 74 74 PRO CA C 52 65.625 65.282 0.343 1 1 566 . 13 1 1 A 74 74 PRO CB C 52 32.014 31.939 0.075 1 1 569 . 13 1 1 A 75 75 ASP H H 53 8.303 8.498 -0.195 1 1 570 . 13 1 1 A 75 75 ASP HA H 53 4.955 5.403 -0.448 1 1 573 . 13 1 1 A 75 75 ASP C C 53 177.380 175.216 2.164 1 1 574 . 13 1 1 A 75 75 ASP CA C 53 52.034 53.570 -1.536 1 1 575 . 13 1 1 A 75 75 ASP CB C 53 41.826 42.965 -1.139 1 1 576 . 13 1 1 A 75 75 ASP N N 53 109.961 115.800 -5.839 1 1 577 . 13 1 1 A 76 76 HIS H H 54 7.379 7.978 -0.599 1 1 578 . 13 1 1 A 76 76 HIS HA H 54 5.421 5.420 0.001 1 1 582 . 13 1 1 A 76 76 HIS C C 54 172.470 172.836 -0.366 1 1 583 . 13 1 1 A 76 76 HIS CA C 54 56.943 54.142 2.801 1 1 584 . 13 1 1 A 76 76 HIS CB C 54 29.909 33.835 -3.926 1 1 585 . 13 1 1 A 76 76 HIS N N 54 114.752 115.760 -1.008 1 1 586 . 13 1 1 A 77 77 VAL H H 55 8.933 8.430 0.503 1 1 587 . 13 1 1 A 77 77 VAL HA H 55 4.837 5.008 -0.171 1 1 595 . 13 1 1 A 77 77 VAL C C 55 173.420 173.722 -0.302 1 1 596 . 13 1 1 A 77 77 VAL CA C 55 59.429 59.815 -0.386 1 1 597 . 13 1 1 A 77 77 VAL CB C 55 35.121 35.526 -0.405 1 1 600 . 13 1 1 A 77 77 VAL N N 55 117.287 119.571 -2.284 1 1 601 . 13 1 1 A 78 78 LEU H H 56 9.004 9.583 -0.579 1 1 602 . 13 1 1 A 78 78 LEU HA H 56 5.466 5.319 0.147 1 1 612 . 13 1 1 A 78 78 LEU C C 56 175.140 175.590 -0.450 1 1 613 . 13 1 1 A 78 78 LEU CA C 56 53.084 53.913 -0.829 1 1 614 . 13 1 1 A 78 78 LEU CB C 56 44.499 45.594 -1.095 1 1 618 . 13 1 1 A 78 78 LEU N N 56 130.334 128.188 2.146 1 1 619 . 13 1 1 A 79 79 MET H H 57 9.381 8.833 0.548 1 1 620 . 13 1 1 A 79 79 MET HA H 57 5.678 5.264 0.414 1 1 625 . 13 1 1 A 79 79 MET C C 57 175.160 174.620 0.540 1 1 626 . 13 1 1 A 79 79 MET CA C 57 54.216 54.379 -0.163 1 1 627 . 13 1 1 A 79 79 MET CB C 57 37.309 35.122 2.187 1 1 629 . 13 1 1 A 79 79 MET N N 57 124.304 122.403 1.901 1 1 630 . 13 1 1 A 80 80 ILE H H 58 9.552 8.912 0.640 1 1 631 . 13 1 1 A 80 80 ILE HA H 58 4.957 5.123 -0.166 1 1 641 . 13 1 1 A 80 80 ILE C C 58 175.160 175.439 -0.279 1 1 642 . 13 1 1 A 80 80 ILE CA C 58 61.338 60.101 1.237 1 1 643 . 13 1 1 A 80 80 ILE CB C 58 41.092 41.377 -0.285 1 1 647 . 13 1 1 A 80 80 ILE N N 58 122.359 124.422 -2.063 1 1 648 . 13 1 1 A 81 81 LEU H H 59 9.549 9.131 0.418 1 1 649 . 13 1 1 A 81 81 LEU HA H 59 5.274 5.193 0.081 1 1 659 . 13 1 1 A 81 81 LEU C C 59 174.280 175.302 -1.022 1 1 660 . 13 1 1 A 81 81 LEU CA C 59 53.621 52.569 1.052 1 1 661 . 13 1 1 A 81 81 LEU CB C 59 46.837 45.177 1.660 1 1 665 . 13 1 1 A 81 81 LEU N N 59 131.901 124.600 7.301 1 1 666 . 13 1 1 A 82 82 ASN H H 60 8.516 8.496 0.020 1 1 667 . 13 1 1 A 82 82 ASN HA H 60 5.851 5.480 0.371 1 1 670 . 13 1 1 A 82 82 ASN C C 60 174.840 174.023 0.817 1 1 671 . 13 1 1 A 82 82 ASN CA C 60 52.549 52.047 0.502 1 1 672 . 13 1 1 A 82 82 ASN CB C 60 43.188 39.707 3.481 1 1 673 . 13 1 1 A 82 82 ASN N N 60 120.142 119.185 0.957 1 1 674 . 13 1 1 A 83 83 SER H H 61 9.176 8.357 0.819 1 1 675 . 13 1 1 A 83 83 SER HA H 61 5.295 4.843 0.452 1 1 678 . 13 1 1 A 83 83 SER CA C 61 57.388 55.674 1.714 1 1 679 . 13 1 1 A 83 83 SER CB C 61 68.052 66.236 1.816 1 1 680 . 13 1 1 A 83 83 SER N N 61 116.871 119.349 -2.478 1 1 681 . 13 1 1 A 84 84 PRO HA H 62 4.907 4.025 0.882 1 1 688 . 13 1 1 A 84 84 PRO C C 62 175.210 175.030 0.180 1 1 689 . 13 1 1 A 84 84 PRO CA C 62 64.539 63.685 0.854 1 1 690 . 13 1 1 A 84 84 PRO CB C 62 32.726 31.665 1.061 1 1 693 . 13 1 1 A 85 85 ASP H H 63 7.228 7.657 -0.429 1 1 694 . 13 1 1 A 85 85 ASP HA H 63 4.630 5.255 -0.625 1 1 697 . 13 1 1 A 85 85 ASP C C 63 174.540 176.025 -1.485 1 1 698 . 13 1 1 A 85 85 ASP CA C 63 53.119 53.501 -0.382 1 1 699 . 13 1 1 A 85 85 ASP CB C 63 42.880 43.130 -0.250 1 1 700 . 13 1 1 A 85 85 ASP N N 63 112.313 118.139 -5.826 1 1 701 . 13 1 1 A 86 86 GLU H H 64 8.761 9.461 -0.700 1 1 702 . 13 1 1 A 86 86 GLU HA H 64 3.321 4.115 -0.794 1 1 707 . 13 1 1 A 86 86 GLU C C 64 178.440 178.615 -0.175 1 1 708 . 13 1 1 A 86 86 GLU CA C 64 59.937 59.645 0.292 1 1 709 . 13 1 1 A 86 86 GLU CB C 64 29.707 29.503 0.204 1 1 711 . 13 1 1 A 86 86 GLU N N 64 120.055 124.972 -4.917 1 1 712 . 13 1 1 A 87 87 ASP H H 65 8.332 8.627 -0.295 1 1 713 . 13 1 1 A 87 87 ASP HA H 65 4.414 4.379 0.035 1 1 716 . 13 1 1 A 87 87 ASP C C 65 179.400 178.625 0.775 1 1 717 . 13 1 1 A 87 87 ASP CA C 65 57.203 57.688 -0.485 1 1 718 . 13 1 1 A 87 87 ASP CB C 65 40.323 41.380 -1.057 1 1 719 . 13 1 1 A 87 87 ASP N N 65 121.933 120.246 1.687 1 1 720 . 13 1 1 A 88 88 SER H H 66 8.949 7.751 1.198 1 1 721 . 13 1 1 A 88 88 SER HA H 66 4.169 4.231 -0.062 1 1 724 . 13 1 1 A 88 88 SER C C 66 176.110 176.223 -0.113 1 1 725 . 13 1 1 A 88 88 SER CA C 66 62.032 62.422 -0.390 1 1 726 . 13 1 1 A 88 88 SER CB C 66 62.178 63.025 -0.847 1 1 727 . 13 1 1 A 88 88 SER N N 66 119.726 116.635 3.091 1 1 728 . 13 1 1 A 89 89 LEU H H 67 7.737 8.807 -1.070 1 1 729 . 13 1 1 A 89 89 LEU HA H 67 4.017 4.405 -0.388 1 1 739 . 13 1 1 A 89 89 LEU C C 67 177.790 178.238 -0.448 1 1 740 . 13 1 1 A 89 89 LEU CA C 67 57.958 58.399 -0.441 1 1 741 . 13 1 1 A 89 89 LEU CB C 67 42.394 42.280 0.114 1 1 745 . 13 1 1 A 89 89 LEU N N 67 122.942 122.765 0.177 1 1 746 . 13 1 1 A 90 90 ALA H H 68 7.483 9.504 -2.021 1 1 747 . 13 1 1 A 90 90 ALA HA H 68 3.780 4.170 -0.390 1 1 751 . 13 1 1 A 90 90 ALA C C 68 180.410 179.599 0.811 1 1 752 . 13 1 1 A 90 90 ALA CA C 68 54.782 54.883 -0.101 1 1 753 . 13 1 1 A 90 90 ALA CB C 68 17.857 18.588 -0.731 1 1 754 . 13 1 1 A 90 90 ALA N N 68 119.446 120.574 -1.128 1 1 755 . 13 1 1 A 91 91 HIS H H 69 7.707 8.347 -0.640 1 1 756 . 13 1 1 A 91 91 HIS HA H 69 4.377 4.064 0.313 1 1 760 . 13 1 1 A 91 91 HIS C C 69 177.865 177.120 0.745 1 1 761 . 13 1 1 A 91 91 HIS CA C 69 59.518 59.581 -0.063 1 1 762 . 13 1 1 A 91 91 HIS CB C 69 30.954 29.787 1.167 1 1 763 . 13 1 1 A 91 91 HIS N N 69 116.881 117.942 -1.061 1 1 764 . 13 1 1 A 92 92 MET H H 70 8.467 8.372 0.095 1 1 765 . 13 1 1 A 92 92 MET HA H 70 4.087 3.873 0.214 1 1 770 . 13 1 1 A 92 92 MET C C 70 178.390 178.111 0.279 1 1 771 . 13 1 1 A 92 92 MET CA C 70 55.584 58.563 -2.979 1 1 772 . 13 1 1 A 92 92 MET CB C 70 29.773 33.382 -3.609 1 1 774 . 13 1 1 A 92 92 MET N N 70 116.968 116.820 0.148 1 1 775 . 13 1 1 A 93 93 GLN H H 71 8.309 8.311 -0.002 1 1 776 . 13 1 1 A 93 93 GLN HA H 71 2.874 4.016 -1.142 1 1 781 . 13 1 1 A 93 93 GLN C C 71 178.420 178.046 0.374 1 1 782 . 13 1 1 A 93 93 GLN CA C 71 58.852 58.582 0.270 1 1 783 . 13 1 1 A 93 93 GLN CB C 71 27.658 27.947 -0.289 1 1 785 . 13 1 1 A 93 93 GLN N N 71 120.665 117.226 3.439 1 1 786 . 13 1 1 A 94 94 ASN H H 72 6.899 8.266 -1.367 1 1 787 . 13 1 1 A 94 94 ASN HA H 72 4.596 4.471 0.125 1 1 790 . 13 1 1 A 94 94 ASN C C 72 177.380 177.486 -0.106 1 1 791 . 13 1 1 A 94 94 ASN CA C 72 56.037 56.170 -0.133 1 1 792 . 13 1 1 A 94 94 ASN CB C 72 38.219 38.527 -0.308 1 1 793 . 13 1 1 A 94 94 ASN N N 72 116.271 119.014 -2.743 1 1 794 . 13 1 1 A 95 95 VAL H H 73 8.050 7.680 0.370 1 1 795 . 13 1 1 A 95 95 VAL HA H 73 3.983 3.488 0.495 1 1 803 . 13 1 1 A 95 95 VAL C C 73 180.050 178.250 1.800 1 1 804 . 13 1 1 A 95 95 VAL CA C 73 66.515 65.998 0.517 1 1 805 . 13 1 1 A 95 95 VAL CB C 73 32.587 31.262 1.325 1 1 808 . 13 1 1 A 95 95 VAL N N 73 121.798 119.681 2.117 1 1 809 . 13 1 1 A 96 96 VAL H H 74 9.082 7.649 1.433 1 1 810 . 13 1 1 A 96 96 VAL HA H 74 3.986 2.867 1.119 1 1 818 . 13 1 1 A 96 96 VAL C C 74 177.490 177.911 -0.421 1 1 819 . 13 1 1 A 96 96 VAL CA C 74 67.947 66.099 1.848 1 1 820 . 13 1 1 A 96 96 VAL CB C 74 31.966 31.311 0.655 1 1 823 . 13 1 1 A 96 96 VAL N N 74 120.549 120.606 -0.057 1 1 824 . 13 1 1 A 97 97 ALA H H 75 8.285 7.721 0.564 1 1 825 . 13 1 1 A 97 97 ALA HA H 75 4.108 3.908 0.200 1 1 829 . 13 1 1 A 97 97 ALA C C 75 179.320 179.567 -0.247 1 1 830 . 13 1 1 A 97 97 ALA CA C 75 56.117 55.118 0.999 1 1 831 . 13 1 1 A 97 97 ALA CB C 75 19.867 18.306 1.561 1 1 832 . 13 1 1 A 97 97 ALA N N 75 120.375 121.723 -1.348 1 1 833 . 13 1 1 A 98 98 ASP H H 76 8.522 7.684 0.838 1 1 834 . 13 1 1 A 98 98 ASP HA H 76 4.356 4.338 0.018 1 1 837 . 13 1 1 A 98 98 ASP C C 76 179.100 178.543 0.557 1 1 838 . 13 1 1 A 98 98 ASP CA C 76 57.252 57.269 -0.017 1 1 839 . 13 1 1 A 98 98 ASP CB C 76 41.335 40.957 0.378 1 1 840 . 13 1 1 A 98 98 ASP N N 76 116.871 118.823 -1.952 1 1 841 . 13 1 1 A 99 99 HIS H H 77 8.162 7.784 0.378 1 1 842 . 13 1 1 A 99 99 HIS HA H 77 3.847 4.333 -0.486 1 1 846 . 13 1 1 A 99 99 HIS C C 77 177.440 178.074 -0.634 1 1 847 . 13 1 1 A 99 99 HIS CA C 77 61.636 59.425 2.211 1 1 848 . 13 1 1 A 99 99 HIS CB C 77 29.328 29.837 -0.509 1 1 849 . 13 1 1 A 99 99 HIS N N 77 116.758 118.551 -1.793 1 1 850 . 13 1 1 A 100 100 LEU H H 78 8.718 8.185 0.533 1 1 851 . 13 1 1 A 100 100 LEU HA H 78 3.862 3.849 0.013 1 1 861 . 13 1 1 A 100 100 LEU C C 78 177.720 179.238 -1.518 1 1 862 . 13 1 1 A 100 100 LEU CA C 78 58.746 57.649 1.097 1 1 863 . 13 1 1 A 100 100 LEU CB C 78 40.324 41.073 -0.749 1 1 867 . 13 1 1 A 100 100 LEU N N 78 120.332 119.200 1.132 1 1 868 . 13 1 1 A 101 101 GLN H H 79 8.167 7.962 0.205 1 1 869 . 13 1 1 A 101 101 GLN HA H 79 3.973 4.007 -0.034 1 1 874 . 13 1 1 A 101 101 GLN C C 79 178.990 178.676 0.314 1 1 875 . 13 1 1 A 101 101 GLN CA C 79 58.359 58.921 -0.562 1 1 876 . 13 1 1 A 101 101 GLN CB C 79 29.575 28.535 1.040 1 1 878 . 13 1 1 A 101 101 GLN N N 79 115.715 119.602 -3.887 1 1 879 . 13 1 1 A 102 102 ARG H H 80 7.835 8.247 -0.412 1 1 880 . 13 1 1 A 102 102 ARG HA H 80 3.990 4.009 -0.019 1 1 887 . 13 1 1 A 102 102 ARG C C 80 178.540 178.462 0.078 1 1 888 . 13 1 1 A 102 102 ARG CA C 80 58.789 58.991 -0.202 1 1 889 . 13 1 1 A 102 102 ARG CB C 80 30.218 29.913 0.305 1 1 892 . 13 1 1 A 102 102 ARG N N 80 118.207 120.660 -2.453 1 1 893 . 13 1 1 A 103 103 MET H H 81 7.645 8.017 -0.372 1 1 894 . 13 1 1 A 103 103 MET HA H 81 4.353 4.188 0.165 1 1 899 . 13 1 1 A 103 103 MET C C 81 176.300 176.013 0.287 1 1 900 . 13 1 1 A 103 103 MET CA C 81 55.646 56.679 -1.033 1 1 901 . 13 1 1 A 103 103 MET CB C 81 32.620 31.783 0.837 1 1 903 . 13 1 1 A 103 103 MET N N 81 116.250 115.293 0.957 1 1 904 . 13 1 1 A 104 104 ALA H H 82 7.324 7.720 -0.396 1 1 905 . 13 1 1 A 104 104 ALA HA H 82 4.386 4.664 -0.278 1 1 909 . 13 1 1 A 104 104 ALA CA C 82 51.004 50.529 0.475 1 1 910 . 13 1 1 A 104 104 ALA CB C 82 17.678 19.352 -1.674 1 1 911 . 13 1 1 A 104 104 ALA N N 82 123.602 122.637 0.965 1 1 912 . 13 1 1 A 106 106 SER HA H 84 4.610 4.588 0.022 1 1 915 . 13 1 1 A 106 106 SER C C 84 173.480 173.234 0.246 1 1 916 . 13 1 1 A 106 106 SER CA C 84 58.041 58.755 -0.714 1 1 917 . 13 1 1 A 106 106 SER CB C 84 64.139 64.428 -0.289 1 1 918 . 13 1 1 A 107 107 GLU H H 85 7.443 8.164 -0.721 1 1 919 . 13 1 1 A 107 107 GLU HA H 85 4.640 4.904 -0.264 1 1 924 . 13 1 1 A 107 107 GLU CA C 85 55.058 54.837 0.221 1 1 925 . 13 1 1 A 107 107 GLU CB C 85 32.203 32.671 -0.468 1 1 927 . 13 1 1 A 107 107 GLU N N 85 119.316 119.049 0.267 1 1 928 . 13 1 1 A 108 108 SER HA H 86 4.549 4.864 -0.315 1 1 931 . 13 1 1 A 108 108 SER C C 86 174.220 174.061 0.159 1 1 932 . 13 1 1 A 108 108 SER CA C 86 57.291 57.899 -0.608 1 1 933 . 13 1 1 A 108 108 SER CB C 86 62.819 61.226 1.593 1 1 934 . 13 1 1 A 109 109 LEU H H 87 9.011 8.516 0.495 1 1 935 . 13 1 1 A 109 109 LEU HA H 87 4.606 3.917 0.689 1 1 945 . 13 1 1 A 109 109 LEU C C 87 176.720 176.179 0.541 1 1 946 . 13 1 1 A 109 109 LEU CA C 87 54.024 55.501 -1.477 1 1 947 . 13 1 1 A 109 109 LEU CB C 87 43.358 40.736 2.622 1 1 951 . 13 1 1 A 109 109 LEU N N 87 126.582 121.220 5.362 1 1 952 . 13 1 1 A 110 110 GLU H H 88 8.530 8.879 -0.349 1 1 953 . 13 1 1 A 110 110 GLU HA H 88 4.541 4.526 0.015 1 1 958 . 13 1 1 A 110 110 GLU C C 88 175.340 176.059 -0.719 1 1 959 . 13 1 1 A 110 110 GLU CA C 88 55.555 56.309 -0.754 1 1 960 . 13 1 1 A 110 110 GLU CB C 88 29.970 30.010 -0.040 1 1 962 . 13 1 1 A 110 110 GLU N N 88 123.263 125.840 -2.577 1 1 963 . 13 1 1 A 111 111 ILE H H 89 8.842 8.417 0.425 1 1 964 . 13 1 1 A 111 111 ILE HA H 89 3.911 4.958 -1.047 1 1 974 . 13 1 1 A 111 111 ILE C C 89 173.250 174.065 -0.815 1 1 975 . 13 1 1 A 111 111 ILE CA C 89 61.207 59.273 1.934 1 1 976 . 13 1 1 A 111 111 ILE CB C 89 38.989 41.088 -2.099 1 1 980 . 13 1 1 A 111 111 ILE N N 89 128.558 121.825 6.733 1 1 981 . 13 1 1 A 112 112 ALA H H 90 8.651 8.989 -0.338 1 1 982 . 13 1 1 A 112 112 ALA HA H 90 4.733 5.025 -0.292 1 1 986 . 13 1 1 A 112 112 ALA C C 90 177.040 176.867 0.173 1 1 987 . 13 1 1 A 112 112 ALA CA C 90 50.598 50.415 0.183 1 1 988 . 13 1 1 A 112 112 ALA CB C 90 21.517 20.100 1.417 1 1 989 . 13 1 1 A 112 112 ALA N N 90 131.215 128.083 3.132 1 1 990 . 13 1 1 A 113 113 TRP H H 91 9.084 9.096 -0.012 1 1 991 . 13 1 1 A 113 113 TRP HA H 91 5.129 5.440 -0.311 1 1 996 . 13 1 1 A 113 113 TRP C C 91 176.725 176.217 0.508 1 1 997 . 13 1 1 A 113 113 TRP CA C 91 56.263 55.247 1.016 1 1 998 . 13 1 1 A 113 113 TRP CB C 91 31.282 31.241 0.041 1 1 999 . 13 1 1 A 113 113 TRP N N 91 125.391 124.532 0.859 1 1 1001 . 13 1 1 A 114 114 GLN H H 92 9.712 9.126 0.586 1 1 1002 . 13 1 1 A 114 114 GLN HA H 92 5.078 4.536 0.542 1 1 1007 . 13 1 1 A 114 114 GLN CA C 92 52.872 53.870 -0.998 1 1 1008 . 13 1 1 A 114 114 GLN CB C 92 30.288 28.247 2.041 1 1 1010 . 13 1 1 A 114 114 GLN N N 92 122.696 121.263 1.433 1 1 1011 . 13 1 1 A 115 115 PRO HA H 93 4.689 4.002 0.687 1 1 1018 . 13 1 1 A 115 115 PRO C C 93 176.690 177.012 -0.322 1 1 1019 . 13 1 1 A 115 115 PRO CA C 93 63.246 65.394 -2.148 1 1 1020 . 13 1 1 A 115 115 PRO CB C 93 32.152 31.639 0.513 1 1 1023 . 13 1 1 A 116 116 ALA H H 94 8.429 7.879 0.550 1 1 1024 . 13 1 1 A 116 116 ALA HA H 94 4.615 4.464 0.151 1 1 1028 . 13 1 1 A 116 116 ALA C C 94 177.230 175.927 1.303 1 1 1029 . 13 1 1 A 116 116 ALA CA C 94 51.966 54.381 -2.415 1 1 1030 . 13 1 1 A 116 116 ALA CB C 94 20.497 17.060 3.437 1 1 1031 . 13 1 1 A 116 116 ALA N N 94 125.566 118.988 6.578 1 1 1032 . 13 1 1 A 117 117 GLU H H 95 8.754 7.691 1.063 1 1 1033 . 13 1 1 A 117 117 GLU HA H 95 4.479 4.838 -0.359 1 1 1038 . 13 1 1 A 117 117 GLU CA C 95 56.146 54.724 1.422 1 1 1039 . 13 1 1 A 117 117 GLU CB C 95 30.856 32.684 -1.828 1 1 11 . 14 1 1 A 24 24 PHE H H 2 8.940 8.157 0.783 1 1 12 . 14 1 1 A 24 24 PHE HA H 2 4.540 5.019 -0.479 1 1 17 . 14 1 1 A 24 24 PHE C C 2 173.640 175.382 -1.742 1 1 18 . 14 1 1 A 24 24 PHE CA C 2 58.262 57.690 0.572 1 1 19 . 14 1 1 A 24 24 PHE CB C 2 40.639 41.067 -0.428 1 1 20 . 14 1 1 A 24 24 PHE N N 2 121.410 124.432 -3.022 1 1 21 . 14 1 1 A 25 25 ARG H H 3 8.559 8.832 -0.273 1 1 22 . 14 1 1 A 25 25 ARG HA H 3 5.932 5.116 0.816 1 1 29 . 14 1 1 A 25 25 ARG C C 3 175.870 174.268 1.602 1 1 30 . 14 1 1 A 25 25 ARG CA C 3 53.965 55.143 -1.178 1 1 31 . 14 1 1 A 25 25 ARG CB C 3 34.959 33.571 1.388 1 1 34 . 14 1 1 A 25 25 ARG N N 3 123.288 121.047 2.241 1 1 35 . 14 1 1 A 26 26 SER H H 4 9.096 8.966 0.130 1 1 36 . 14 1 1 A 26 26 SER HA H 4 5.306 5.556 -0.250 1 1 39 . 14 1 1 A 26 26 SER C C 4 173.230 172.820 0.410 1 1 40 . 14 1 1 A 26 26 SER CA C 4 56.908 56.465 0.443 1 1 41 . 14 1 1 A 26 26 SER CB C 4 66.846 66.742 0.104 1 1 42 . 14 1 1 A 26 26 SER N N 4 120.152 119.816 0.336 1 1 43 . 14 1 1 A 27 27 THR H H 5 8.889 8.921 -0.032 1 1 44 . 14 1 1 A 27 27 THR HA H 5 6.172 5.606 0.566 1 1 49 . 14 1 1 A 27 27 THR C C 5 173.740 172.320 1.420 1 1 50 . 14 1 1 A 27 27 THR CA C 5 59.621 60.779 -1.158 1 1 51 . 14 1 1 A 27 27 THR CB C 5 75.444 71.501 3.943 1 1 53 . 14 1 1 A 27 27 THR N N 5 112.196 114.733 -2.537 1 1 54 . 14 1 1 A 28 28 SER H H 6 8.945 9.124 -0.179 1 1 55 . 14 1 1 A 28 28 SER HA H 6 4.643 5.472 -0.829 1 1 58 . 14 1 1 A 28 28 SER C C 6 173.400 172.732 0.668 1 1 59 . 14 1 1 A 28 28 SER CA C 6 57.727 56.946 0.781 1 1 60 . 14 1 1 A 28 28 SER CB C 6 65.115 64.693 0.422 1 1 61 . 14 1 1 A 28 28 SER N N 6 115.468 121.487 -6.019 1 1 62 . 14 1 1 A 29 29 HIS H H 7 8.713 9.005 -0.292 1 1 63 . 14 1 1 A 29 29 HIS HA H 7 5.046 5.483 -0.437 1 1 67 . 14 1 1 A 29 29 HIS C C 7 175.330 173.646 1.684 1 1 68 . 14 1 1 A 29 29 HIS CA C 7 55.507 53.815 1.692 1 1 69 . 14 1 1 A 29 29 HIS CB C 7 31.214 32.729 -1.515 1 1 70 . 14 1 1 A 29 29 HIS N N 7 130.131 127.924 2.207 1 1 71 . 14 1 1 A 30 30 VAL H H 8 9.318 8.942 0.376 1 1 72 . 14 1 1 A 30 30 VAL HA H 8 4.431 4.779 -0.348 1 1 80 . 14 1 1 A 30 30 VAL C C 8 175.620 174.841 0.779 1 1 81 . 14 1 1 A 30 30 VAL CA C 8 61.142 60.303 0.839 1 1 82 . 14 1 1 A 30 30 VAL CB C 8 33.063 35.780 -2.717 1 1 85 . 14 1 1 A 30 30 VAL N N 8 128.679 126.586 2.093 1 1 86 . 14 1 1 A 31 31 ARG H H 9 9.212 8.618 0.594 1 1 87 . 14 1 1 A 31 31 ARG HA H 9 4.517 5.041 -0.524 1 1 94 . 14 1 1 A 31 31 ARG C C 9 176.520 175.866 0.654 1 1 95 . 14 1 1 A 31 31 ARG CA C 9 57.458 55.371 2.087 1 1 96 . 14 1 1 A 31 31 ARG CB C 9 29.842 30.845 -1.003 1 1 99 . 14 1 1 A 31 31 ARG N N 9 128.640 125.840 2.800 1 1 100 . 14 1 1 A 32 32 THR H H 10 7.941 8.936 -0.995 1 1 101 . 14 1 1 A 32 32 THR HA H 10 4.627 5.040 -0.413 1 1 105 . 14 1 1 A 32 32 THR C C 10 172.560 172.797 -0.237 1 1 106 . 14 1 1 A 32 32 THR CA C 10 61.473 60.235 1.238 1 1 107 . 14 1 1 A 32 32 THR CB C 10 66.191 73.255 -7.064 1 1 109 . 14 1 1 A 32 32 THR N N 10 120.036 118.635 1.401 1 1 110 . 14 1 1 A 33 33 GLU H H 11 9.022 8.977 0.045 1 1 111 . 14 1 1 A 33 33 GLU HA H 11 4.731 4.788 -0.057 1 1 116 . 14 1 1 A 33 33 GLU C C 11 177.810 176.836 0.974 1 1 117 . 14 1 1 A 33 33 GLU CA C 11 57.466 55.382 2.084 1 1 118 . 14 1 1 A 33 33 GLU CB C 11 30.044 31.767 -1.723 1 1 120 . 14 1 1 A 33 33 GLU N N 11 126.859 124.362 2.497 1 1 121 . 14 1 1 A 34 34 SER H H 12 8.930 9.202 -0.272 1 1 122 . 14 1 1 A 34 34 SER HA H 12 4.795 4.093 0.702 1 1 125 . 14 1 1 A 34 34 SER C C 12 173.360 174.455 -1.095 1 1 126 . 14 1 1 A 34 34 SER CA C 12 56.842 58.978 -2.136 1 1 127 . 14 1 1 A 34 34 SER CB C 12 63.756 62.522 1.234 1 1 128 . 14 1 1 A 34 34 SER N N 12 119.717 118.682 1.035 1 1 129 . 14 1 1 A 35 35 ALA H H 13 8.756 7.759 0.997 1 1 130 . 14 1 1 A 35 35 ALA HA H 13 3.542 3.861 -0.319 1 1 134 . 14 1 1 A 35 35 ALA C C 13 178.560 179.160 -0.600 1 1 135 . 14 1 1 A 35 35 ALA CA C 13 56.288 55.066 1.222 1 1 136 . 14 1 1 A 35 35 ALA CB C 13 21.558 18.647 2.911 1 1 137 . 14 1 1 A 35 35 ALA N N 13 121.856 122.487 -0.631 1 1 138 . 14 1 1 A 36 36 ALA H H 14 8.442 8.106 0.336 1 1 139 . 14 1 1 A 36 36 ALA HA H 14 3.691 4.357 -0.666 1 1 143 . 14 1 1 A 36 36 ALA C C 14 179.900 179.524 0.376 1 1 144 . 14 1 1 A 36 36 ALA CA C 14 55.754 54.788 0.966 1 1 145 . 14 1 1 A 36 36 ALA CB C 14 17.368 18.254 -0.886 1 1 146 . 14 1 1 A 36 36 ALA N N 14 117.191 119.558 -2.367 1 1 147 . 14 1 1 A 37 37 ARG H H 15 7.513 7.226 0.287 1 1 148 . 14 1 1 A 37 37 ARG HA H 15 4.097 4.073 0.024 1 1 155 . 14 1 1 A 37 37 ARG C C 15 178.720 178.560 0.160 1 1 156 . 14 1 1 A 37 37 ARG CA C 15 58.699 58.706 -0.007 1 1 157 . 14 1 1 A 37 37 ARG CB C 15 30.024 29.893 0.131 1 1 160 . 14 1 1 A 37 37 ARG N N 15 118.952 118.752 0.200 1 1 161 . 14 1 1 A 38 38 TYR H H 16 7.632 7.932 -0.300 1 1 162 . 14 1 1 A 38 38 TYR HA H 16 4.433 4.376 0.057 1 1 166 . 14 1 1 A 38 38 TYR C C 16 178.110 178.449 -0.339 1 1 167 . 14 1 1 A 38 38 TYR CA C 16 58.473 61.015 -2.542 1 1 168 . 14 1 1 A 38 38 TYR CB C 16 36.286 37.819 -1.533 1 1 169 . 14 1 1 A 38 38 TYR N N 16 118.516 119.462 -0.946 1 1 170 . 14 1 1 A 39 39 VAL H H 17 8.680 7.562 1.118 1 1 171 . 14 1 1 A 39 39 VAL HA H 17 3.491 3.807 -0.316 1 1 179 . 14 1 1 A 39 39 VAL C C 17 177.450 178.176 -0.726 1 1 180 . 14 1 1 A 39 39 VAL CA C 17 68.093 66.097 1.996 1 1 181 . 14 1 1 A 39 39 VAL CB C 17 31.943 31.798 0.145 1 1 184 . 14 1 1 A 39 39 VAL N N 17 119.126 120.633 -1.507 1 1 185 . 14 1 1 A 40 40 ASN H H 18 7.813 7.932 -0.119 1 1 186 . 14 1 1 A 40 40 ASN HA H 18 4.280 4.542 -0.262 1 1 189 . 14 1 1 A 40 40 ASN C C 18 177.190 178.105 -0.915 1 1 190 . 14 1 1 A 40 40 ASN CA C 18 57.525 56.459 1.066 1 1 191 . 14 1 1 A 40 40 ASN CB C 18 39.474 37.800 1.674 1 1 192 . 14 1 1 A 40 40 ASN N N 18 118.013 118.294 -0.281 1 1 193 . 14 1 1 A 41 41 ARG H H 19 8.425 8.328 0.097 1 1 194 . 14 1 1 A 41 41 ARG HA H 19 4.010 4.159 -0.149 1 1 201 . 14 1 1 A 41 41 ARG C C 19 180.050 179.215 0.835 1 1 202 . 14 1 1 A 41 41 ARG CA C 19 59.734 58.868 0.866 1 1 203 . 14 1 1 A 41 41 ARG CB C 19 30.877 29.845 1.032 1 1 206 . 14 1 1 A 41 41 ARG N N 19 116.687 120.490 -3.803 1 1 207 . 14 1 1 A 42 42 LEU H H 20 8.731 8.014 0.717 1 1 208 . 14 1 1 A 42 42 LEU HA H 20 3.904 4.164 -0.260 1 1 218 . 14 1 1 A 42 42 LEU C C 20 178.690 178.963 -0.273 1 1 219 . 14 1 1 A 42 42 LEU CA C 20 58.238 57.936 0.302 1 1 220 . 14 1 1 A 42 42 LEU CB C 20 41.659 41.841 -0.182 1 1 224 . 14 1 1 A 42 42 LEU N N 20 120.849 119.872 0.977 1 1 225 . 14 1 1 A 43 43 CYS H H 21 8.241 8.360 -0.119 1 1 226 . 14 1 1 A 43 43 CYS HA H 21 4.268 4.111 0.157 1 1 229 . 14 1 1 A 43 43 CYS C C 21 177.530 176.795 0.735 1 1 230 . 14 1 1 A 43 43 CYS CA C 21 65.374 63.413 1.961 1 1 231 . 14 1 1 A 43 43 CYS CB C 21 27.962 27.163 0.799 1 1 232 . 14 1 1 A 43 43 CYS N N 21 115.952 116.775 -0.823 1 1 233 . 14 1 1 A 44 44 LYS H H 22 8.364 7.796 0.568 1 1 234 . 14 1 1 A 44 44 LYS HA H 22 4.091 4.281 -0.190 1 1 243 . 14 1 1 A 44 44 LYS C C 22 179.020 178.710 0.310 1 1 244 . 14 1 1 A 44 44 LYS CA C 22 59.004 57.618 1.386 1 1 245 . 14 1 1 A 44 44 LYS CB C 22 31.921 32.597 -0.676 1 1 249 . 14 1 1 A 44 44 LYS N N 22 119.823 119.545 0.278 1 1 250 . 14 1 1 A 45 45 HIS H H 23 8.036 8.189 -0.153 1 1 251 . 14 1 1 A 45 45 HIS HA H 23 4.408 4.103 0.305 1 1 255 . 14 1 1 A 45 45 HIS C C 23 177.870 176.830 1.040 1 1 256 . 14 1 1 A 45 45 HIS CA C 23 60.404 59.309 1.095 1 1 257 . 14 1 1 A 45 45 HIS CB C 23 30.954 30.522 0.432 1 1 258 . 14 1 1 A 45 45 HIS N N 23 118.729 120.866 -2.137 1 1 259 . 14 1 1 A 46 46 TRP H H 24 8.426 8.543 -0.117 1 1 260 . 14 1 1 A 46 46 TRP HA H 24 4.903 4.575 0.328 1 1 265 . 14 1 1 A 46 46 TRP C C 24 177.900 177.671 0.229 1 1 266 . 14 1 1 A 46 46 TRP CA C 24 58.973 59.328 -0.355 1 1 267 . 14 1 1 A 46 46 TRP CB C 24 29.328 29.543 -0.215 1 1 268 . 14 1 1 A 46 46 TRP N N 24 117.297 116.368 0.929 1 1 270 . 14 1 1 A 47 47 GLY H H 25 8.254 8.456 -0.202 1 1 271 . 14 1 1 A 47 47 GLY HA2 H 25 4.362 4.034 0.328 1 1 272 . 14 1 1 A 47 47 GLY HA3 H 25 3.936 4.090 -0.154 1 1 273 . 14 1 1 A 47 47 GLY CA C 25 46.812 47.414 -0.602 1 1 274 . 14 1 1 A 47 47 GLY N N 25 108.683 108.518 0.165 1 1 275 . 14 1 1 A 48 48 HIS C C 26 176.030 175.101 0.929 1 1 276 . 14 1 1 A 48 48 HIS CA C 26 58.358 55.664 2.694 1 1 277 . 14 1 1 A 48 48 HIS CB C 26 30.438 31.232 -0.794 1 1 278 . 14 1 1 A 49 49 LYS H H 27 7.544 7.874 -0.330 1 1 279 . 14 1 1 A 49 49 LYS HA H 27 4.236 4.168 0.068 1 1 288 . 14 1 1 A 49 49 LYS C C 27 174.880 174.184 0.696 1 1 289 . 14 1 1 A 49 49 LYS CA C 27 56.572 55.007 1.565 1 1 290 . 14 1 1 A 49 49 LYS CB C 27 35.793 33.459 2.334 1 1 294 . 14 1 1 A 49 49 LYS N N 27 117.278 119.410 -2.132 1 1 295 . 14 1 1 A 50 50 PHE H H 28 8.178 7.605 0.573 1 1 296 . 14 1 1 A 50 50 PHE HA H 28 5.016 4.991 0.025 1 1 301 . 14 1 1 A 50 50 PHE C C 28 174.190 174.659 -0.469 1 1 302 . 14 1 1 A 50 50 PHE CA C 28 55.756 56.405 -0.649 1 1 303 . 14 1 1 A 50 50 PHE CB C 28 41.140 43.021 -1.881 1 1 304 . 14 1 1 A 50 50 PHE N N 28 118.846 118.970 -0.124 1 1 305 . 14 1 1 A 51 51 GLU H H 29 7.812 8.399 -0.587 1 1 306 . 14 1 1 A 51 51 GLU HA H 29 4.449 4.588 -0.139 1 1 311 . 14 1 1 A 51 51 GLU C C 29 175.570 175.990 -0.420 1 1 312 . 14 1 1 A 51 51 GLU CA C 29 56.852 56.046 0.806 1 1 313 . 14 1 1 A 51 51 GLU CB C 29 30.207 29.951 0.256 1 1 315 . 14 1 1 A 51 51 GLU N N 29 120.355 120.826 -0.471 1 1 316 . 14 1 1 A 52 52 VAL H H 30 8.395 8.962 -0.567 1 1 317 . 14 1 1 A 52 52 VAL HA H 30 5.383 5.456 -0.073 1 1 325 . 14 1 1 A 52 52 VAL C C 30 175.850 174.401 1.449 1 1 326 . 14 1 1 A 52 52 VAL CA C 30 59.969 60.445 -0.476 1 1 327 . 14 1 1 A 52 52 VAL CB C 30 36.173 33.933 2.240 1 1 330 . 14 1 1 A 52 52 VAL N N 30 124.120 120.792 3.328 1 1 331 . 14 1 1 A 53 53 GLU H H 31 9.289 9.493 -0.204 1 1 332 . 14 1 1 A 53 53 GLU HA H 31 4.717 4.885 -0.168 1 1 337 . 14 1 1 A 53 53 GLU C C 31 174.370 174.987 -0.617 1 1 338 . 14 1 1 A 53 53 GLU CA C 31 55.415 55.670 -0.255 1 1 339 . 14 1 1 A 53 53 GLU CB C 31 33.211 31.540 1.671 1 1 341 . 14 1 1 A 53 53 GLU N N 31 126.346 128.050 -1.704 1 1 342 . 14 1 1 A 54 54 LEU H H 32 8.763 8.983 -0.220 1 1 343 . 14 1 1 A 54 54 LEU HA H 32 5.375 5.185 0.190 1 1 353 . 14 1 1 A 54 54 LEU C C 32 175.100 175.727 -0.627 1 1 354 . 14 1 1 A 54 54 LEU CA C 32 55.010 53.623 1.387 1 1 355 . 14 1 1 A 54 54 LEU CB C 32 45.485 44.460 1.025 1 1 359 . 14 1 1 A 54 54 LEU N N 32 126.898 127.735 -0.837 1 1 360 . 14 1 1 A 55 55 THR H H 33 9.159 8.213 0.946 1 1 361 . 14 1 1 A 55 55 THR HA H 33 4.886 5.032 -0.146 1 1 366 . 14 1 1 A 55 55 THR CA C 33 59.489 58.834 0.655 1 1 367 . 14 1 1 A 55 55 THR CB C 33 69.241 70.224 -0.983 1 1 369 . 14 1 1 A 55 55 THR N N 33 121.246 116.544 4.702 1 1 370 . 14 1 1 A 56 56 PRO HA H 34 4.269 4.595 -0.326 1 1 377 . 14 1 1 A 56 56 PRO C C 34 177.750 175.659 2.091 1 1 378 . 14 1 1 A 56 56 PRO CA C 34 65.968 62.855 3.113 1 1 379 . 14 1 1 A 56 56 PRO CB C 34 31.786 29.760 2.026 1 1 382 . 14 1 1 A 57 57 GLU H H 35 8.148 8.399 -0.251 1 1 383 . 14 1 1 A 57 57 GLU HA H 35 4.351 4.525 -0.174 1 1 388 . 14 1 1 A 57 57 GLU C C 35 175.720 175.893 -0.173 1 1 389 . 14 1 1 A 57 57 GLU CA C 35 57.085 56.882 0.203 1 1 390 . 14 1 1 A 57 57 GLU CB C 35 30.299 32.403 -2.104 1 1 392 . 14 1 1 A 57 57 GLU N N 35 112.303 120.472 -8.169 1 1 393 . 14 1 1 A 58 58 ARG H H 36 7.777 7.839 -0.062 1 1 394 . 14 1 1 A 58 58 ARG HA H 36 5.418 5.114 0.304 1 1 401 . 14 1 1 A 58 58 ARG C C 36 173.610 173.950 -0.340 1 1 402 . 14 1 1 A 58 58 ARG CA C 36 55.576 55.005 0.571 1 1 403 . 14 1 1 A 58 58 ARG CB C 36 33.324 32.607 0.717 1 1 406 . 14 1 1 A 58 58 ARG N N 36 122.018 115.516 6.502 1 1 407 . 14 1 1 A 59 59 GLY H H 37 9.650 8.688 0.962 1 1 408 . 14 1 1 A 59 59 GLY HA2 H 37 5.484 4.266 1.218 1 1 409 . 14 1 1 A 59 59 GLY HA3 H 37 3.554 4.271 -0.717 1 1 410 . 14 1 1 A 59 59 GLY C C 37 171.630 172.015 -0.385 1 1 411 . 14 1 1 A 59 59 GLY CA C 37 44.563 44.517 0.046 1 1 412 . 14 1 1 A 59 59 GLY N N 37 113.745 106.788 6.957 1 1 413 . 14 1 1 A 60 60 PHE H H 38 9.138 8.997 0.141 1 1 414 . 14 1 1 A 60 60 PHE HA H 38 5.472 5.032 0.440 1 1 419 . 14 1 1 A 60 60 PHE C C 38 173.180 174.013 -0.833 1 1 420 . 14 1 1 A 60 60 PHE CA C 38 57.234 56.283 0.951 1 1 421 . 14 1 1 A 60 60 PHE CB C 38 43.107 40.941 2.166 1 1 422 . 14 1 1 A 60 60 PHE N N 38 124.144 125.772 -1.628 1 1 423 . 14 1 1 A 61 61 ILE H H 39 8.618 8.813 -0.195 1 1 424 . 14 1 1 A 61 61 ILE HA H 39 4.226 4.815 -0.589 1 1 434 . 14 1 1 A 61 61 ILE C C 39 172.950 173.491 -0.541 1 1 435 . 14 1 1 A 61 61 ILE CA C 39 60.357 60.367 -0.010 1 1 436 . 14 1 1 A 61 61 ILE CB C 39 41.488 39.820 1.668 1 1 440 . 14 1 1 A 61 61 ILE N N 39 126.753 128.207 -1.454 1 1 441 . 14 1 1 A 62 62 ASP H H 40 8.192 8.232 -0.040 1 1 442 . 14 1 1 A 62 62 ASP HA H 40 4.464 4.977 -0.513 1 1 445 . 14 1 1 A 62 62 ASP C C 40 176.240 175.799 0.441 1 1 446 . 14 1 1 A 62 62 ASP CA C 40 52.208 52.542 -0.334 1 1 447 . 14 1 1 A 62 62 ASP CB C 40 41.489 44.068 -2.579 1 1 448 . 14 1 1 A 62 62 ASP N N 40 124.314 128.738 -4.424 1 1 449 . 14 1 1 A 63 63 PHE H H 41 8.165 8.682 -0.517 1 1 450 . 14 1 1 A 63 63 PHE HA H 41 4.007 4.550 -0.543 1 1 454 . 14 1 1 A 63 63 PHE C C 41 175.640 175.815 -0.175 1 1 455 . 14 1 1 A 63 63 PHE CA C 41 58.407 57.898 0.509 1 1 456 . 14 1 1 A 63 63 PHE CB C 41 38.486 39.222 -0.736 1 1 457 . 14 1 1 A 63 63 PHE N N 41 123.395 124.163 -0.768 1 1 458 . 14 1 1 A 64 64 GLY H H 42 9.003 7.641 1.362 1 1 459 . 14 1 1 A 64 64 GLY HA2 H 42 4.675 4.041 0.634 1 1 460 . 14 1 1 A 64 64 GLY HA3 H 42 3.484 4.068 -0.584 1 1 461 . 14 1 1 A 64 64 GLY CA C 42 45.938 45.840 0.098 1 1 462 . 14 1 1 A 64 64 GLY N N 42 112.196 107.529 4.667 1 1 463 . 14 1 1 A 65 65 ASP HA H 43 4.675 4.713 -0.038 1 1 466 . 14 1 1 A 65 65 ASP C C 43 176.170 174.338 1.832 1 1 467 . 14 1 1 A 65 65 ASP CA C 43 55.415 53.441 1.974 1 1 468 . 14 1 1 A 65 65 ASP CB C 43 41.379 39.060 2.319 1 1 469 . 14 1 1 A 66 66 SER H H 44 7.743 7.702 0.041 1 1 470 . 14 1 1 A 66 66 SER HA H 44 5.292 5.007 0.285 1 1 473 . 14 1 1 A 66 66 SER C C 44 172.190 172.179 0.011 1 1 474 . 14 1 1 A 66 66 SER CA C 44 57.890 57.630 0.260 1 1 475 . 14 1 1 A 66 66 SER CB C 44 66.054 65.900 0.154 1 1 476 . 14 1 1 A 66 66 SER N N 44 112.796 110.804 1.992 1 1 477 . 14 1 1 A 67 67 ASN H H 45 9.075 9.206 -0.131 1 1 478 . 14 1 1 A 67 67 ASN HA H 45 5.126 5.371 -0.245 1 1 481 . 14 1 1 A 67 67 ASN C C 45 172.300 173.248 -0.948 1 1 482 . 14 1 1 A 67 67 ASN CA C 45 52.997 51.734 1.263 1 1 483 . 14 1 1 A 67 67 ASN CB C 45 42.047 43.501 -1.454 1 1 484 . 14 1 1 A 67 67 ASN N N 45 114.955 117.460 -2.505 1 1 485 . 14 1 1 A 68 68 CYS H H 46 8.757 8.539 0.218 1 1 486 . 14 1 1 A 68 68 CYS HA H 46 5.652 5.160 0.492 1 1 489 . 14 1 1 A 68 68 CYS C C 46 170.650 172.519 -1.869 1 1 490 . 14 1 1 A 68 68 CYS CA C 46 56.668 58.266 -1.598 1 1 491 . 14 1 1 A 68 68 CYS CB C 46 31.195 29.825 1.370 1 1 492 . 14 1 1 A 68 68 CYS N N 46 119.184 117.628 1.556 1 1 493 . 14 1 1 A 69 69 GLU H H 47 9.587 9.344 0.243 1 1 494 . 14 1 1 A 69 69 GLU HA H 47 5.283 5.516 -0.233 1 1 499 . 14 1 1 A 69 69 GLU C C 47 174.190 174.960 -0.770 1 1 500 . 14 1 1 A 69 69 GLU CA C 47 54.401 55.523 -1.122 1 1 501 . 14 1 1 A 69 69 GLU CB C 47 33.607 32.132 1.475 1 1 503 . 14 1 1 A 69 69 GLU N N 47 131.612 127.114 4.498 1 1 504 . 14 1 1 A 70 70 LEU H H 48 9.523 8.407 1.116 1 1 505 . 14 1 1 A 70 70 LEU HA H 48 5.314 4.977 0.337 1 1 515 . 14 1 1 A 70 70 LEU C C 48 174.730 174.040 0.690 1 1 516 . 14 1 1 A 70 70 LEU CA C 48 53.570 54.371 -0.801 1 1 517 . 14 1 1 A 70 70 LEU CB C 48 46.109 45.554 0.555 1 1 521 . 14 1 1 A 70 70 LEU N N 48 125.069 124.884 0.185 1 1 522 . 14 1 1 A 71 71 LEU H H 49 9.493 9.449 0.044 1 1 523 . 14 1 1 A 71 71 LEU HA H 49 5.001 5.236 -0.235 1 1 533 . 14 1 1 A 71 71 LEU C C 49 175.310 175.243 0.067 1 1 534 . 14 1 1 A 71 71 LEU CA C 49 53.809 54.177 -0.368 1 1 535 . 14 1 1 A 71 71 LEU CB C 49 42.880 44.119 -1.239 1 1 539 . 14 1 1 A 71 71 LEU N N 49 123.714 128.563 -4.849 1 1 540 . 14 1 1 A 72 72 ALA H H 50 8.255 8.346 -0.091 1 1 541 . 14 1 1 A 72 72 ALA HA H 50 4.307 5.128 -0.821 1 1 545 . 14 1 1 A 72 72 ALA C C 50 174.800 175.300 -0.500 1 1 546 . 14 1 1 A 72 72 ALA CA C 50 51.618 51.367 0.251 1 1 547 . 14 1 1 A 72 72 ALA CB C 50 18.634 21.432 -2.798 1 1 548 . 14 1 1 A 72 72 ALA N N 50 125.398 128.284 -2.886 1 1 549 . 14 1 1 A 73 73 HIS H H 51 8.053 9.477 -1.424 1 1 550 . 14 1 1 A 73 73 HIS HA H 51 4.953 4.934 0.019 1 1 554 . 14 1 1 A 73 73 HIS CA C 51 54.682 53.951 0.731 1 1 555 . 14 1 1 A 73 73 HIS CB C 51 31.150 32.109 -0.959 1 1 556 . 14 1 1 A 73 73 HIS N N 51 123.172 124.094 -0.922 1 1 557 . 14 1 1 A 74 74 PRO HA H 52 4.385 4.124 0.261 1 1 564 . 14 1 1 A 74 74 PRO C C 52 176.370 176.649 -0.279 1 1 565 . 14 1 1 A 74 74 PRO CA C 52 65.625 64.994 0.631 1 1 566 . 14 1 1 A 74 74 PRO CB C 52 32.014 31.891 0.123 1 1 569 . 14 1 1 A 75 75 ASP H H 53 8.303 8.465 -0.162 1 1 570 . 14 1 1 A 75 75 ASP HA H 53 4.955 5.255 -0.300 1 1 573 . 14 1 1 A 75 75 ASP C C 53 177.380 175.286 2.094 1 1 574 . 14 1 1 A 75 75 ASP CA C 53 52.034 53.482 -1.448 1 1 575 . 14 1 1 A 75 75 ASP CB C 53 41.826 42.655 -0.829 1 1 576 . 14 1 1 A 75 75 ASP N N 53 109.961 115.725 -5.764 1 1 577 . 14 1 1 A 76 76 HIS H H 54 7.379 7.623 -0.244 1 1 578 . 14 1 1 A 76 76 HIS HA H 54 5.421 5.508 -0.087 1 1 582 . 14 1 1 A 76 76 HIS C C 54 172.470 172.938 -0.468 1 1 583 . 14 1 1 A 76 76 HIS CA C 54 56.943 54.261 2.682 1 1 584 . 14 1 1 A 76 76 HIS CB C 54 29.909 33.971 -4.062 1 1 585 . 14 1 1 A 76 76 HIS N N 54 114.752 114.780 -0.028 1 1 586 . 14 1 1 A 77 77 VAL H H 55 8.933 8.609 0.324 1 1 587 . 14 1 1 A 77 77 VAL HA H 55 4.837 5.087 -0.250 1 1 595 . 14 1 1 A 77 77 VAL C C 55 173.420 173.948 -0.528 1 1 596 . 14 1 1 A 77 77 VAL CA C 55 59.429 59.882 -0.453 1 1 597 . 14 1 1 A 77 77 VAL CB C 55 35.121 35.626 -0.505 1 1 600 . 14 1 1 A 77 77 VAL N N 55 117.287 119.701 -2.414 1 1 601 . 14 1 1 A 78 78 LEU H H 56 9.004 9.625 -0.621 1 1 602 . 14 1 1 A 78 78 LEU HA H 56 5.466 5.268 0.198 1 1 612 . 14 1 1 A 78 78 LEU C C 56 175.140 175.759 -0.619 1 1 613 . 14 1 1 A 78 78 LEU CA C 56 53.084 53.757 -0.673 1 1 614 . 14 1 1 A 78 78 LEU CB C 56 44.499 45.615 -1.116 1 1 618 . 14 1 1 A 78 78 LEU N N 56 130.334 128.041 2.293 1 1 619 . 14 1 1 A 79 79 MET H H 57 9.381 8.827 0.554 1 1 620 . 14 1 1 A 79 79 MET HA H 57 5.678 5.256 0.422 1 1 625 . 14 1 1 A 79 79 MET C C 57 175.160 174.639 0.521 1 1 626 . 14 1 1 A 79 79 MET CA C 57 54.216 54.392 -0.176 1 1 627 . 14 1 1 A 79 79 MET CB C 57 37.309 35.111 2.198 1 1 629 . 14 1 1 A 79 79 MET N N 57 124.304 122.343 1.961 1 1 630 . 14 1 1 A 80 80 ILE H H 58 9.552 8.734 0.818 1 1 631 . 14 1 1 A 80 80 ILE HA H 58 4.957 5.121 -0.164 1 1 641 . 14 1 1 A 80 80 ILE C C 58 175.160 175.457 -0.297 1 1 642 . 14 1 1 A 80 80 ILE CA C 58 61.338 60.041 1.297 1 1 643 . 14 1 1 A 80 80 ILE CB C 58 41.092 41.433 -0.341 1 1 647 . 14 1 1 A 80 80 ILE N N 58 122.359 124.609 -2.250 1 1 648 . 14 1 1 A 81 81 LEU H H 59 9.549 9.143 0.406 1 1 649 . 14 1 1 A 81 81 LEU HA H 59 5.274 5.227 0.047 1 1 659 . 14 1 1 A 81 81 LEU C C 59 174.280 175.332 -1.052 1 1 660 . 14 1 1 A 81 81 LEU CA C 59 53.621 52.744 0.877 1 1 661 . 14 1 1 A 81 81 LEU CB C 59 46.837 45.224 1.613 1 1 665 . 14 1 1 A 81 81 LEU N N 59 131.901 124.811 7.090 1 1 666 . 14 1 1 A 82 82 ASN H H 60 8.516 8.427 0.089 1 1 667 . 14 1 1 A 82 82 ASN HA H 60 5.851 5.500 0.351 1 1 670 . 14 1 1 A 82 82 ASN C C 60 174.840 174.110 0.730 1 1 671 . 14 1 1 A 82 82 ASN CA C 60 52.549 52.032 0.517 1 1 672 . 14 1 1 A 82 82 ASN CB C 60 43.188 39.665 3.523 1 1 673 . 14 1 1 A 82 82 ASN N N 60 120.142 119.343 0.799 1 1 674 . 14 1 1 A 83 83 SER H H 61 9.176 8.378 0.798 1 1 675 . 14 1 1 A 83 83 SER HA H 61 5.295 4.888 0.407 1 1 678 . 14 1 1 A 83 83 SER CA C 61 57.388 55.739 1.649 1 1 679 . 14 1 1 A 83 83 SER CB C 61 68.052 66.213 1.839 1 1 680 . 14 1 1 A 83 83 SER N N 61 116.871 119.366 -2.495 1 1 681 . 14 1 1 A 84 84 PRO HA H 62 4.907 4.042 0.865 1 1 688 . 14 1 1 A 84 84 PRO C C 62 175.210 174.776 0.434 1 1 689 . 14 1 1 A 84 84 PRO CA C 62 64.539 63.818 0.721 1 1 690 . 14 1 1 A 84 84 PRO CB C 62 32.726 31.758 0.968 1 1 693 . 14 1 1 A 85 85 ASP H H 63 7.228 7.258 -0.030 1 1 694 . 14 1 1 A 85 85 ASP HA H 63 4.630 5.199 -0.569 1 1 697 . 14 1 1 A 85 85 ASP C C 63 174.540 176.252 -1.712 1 1 698 . 14 1 1 A 85 85 ASP CA C 63 53.119 52.672 0.447 1 1 699 . 14 1 1 A 85 85 ASP CB C 63 42.880 43.597 -0.717 1 1 700 . 14 1 1 A 85 85 ASP N N 63 112.313 113.188 -0.875 1 1 701 . 14 1 1 A 86 86 GLU H H 64 8.761 9.234 -0.473 1 1 702 . 14 1 1 A 86 86 GLU HA H 64 3.321 4.096 -0.775 1 1 707 . 14 1 1 A 86 86 GLU C C 64 178.440 177.753 0.687 1 1 708 . 14 1 1 A 86 86 GLU CA C 64 59.937 59.898 0.039 1 1 709 . 14 1 1 A 86 86 GLU CB C 64 29.707 29.667 0.040 1 1 711 . 14 1 1 A 86 86 GLU N N 64 120.055 121.439 -1.384 1 1 712 . 14 1 1 A 87 87 ASP H H 65 8.332 8.416 -0.084 1 1 713 . 14 1 1 A 87 87 ASP HA H 65 4.414 4.306 0.108 1 1 716 . 14 1 1 A 87 87 ASP C C 65 179.400 177.992 1.408 1 1 717 . 14 1 1 A 87 87 ASP CA C 65 57.203 57.642 -0.439 1 1 718 . 14 1 1 A 87 87 ASP CB C 65 40.323 41.285 -0.962 1 1 719 . 14 1 1 A 87 87 ASP N N 65 121.933 119.835 2.098 1 1 720 . 14 1 1 A 88 88 SER H H 66 8.949 8.490 0.459 1 1 721 . 14 1 1 A 88 88 SER HA H 66 4.169 4.162 0.007 1 1 724 . 14 1 1 A 88 88 SER C C 66 176.110 177.050 -0.940 1 1 725 . 14 1 1 A 88 88 SER CA C 66 62.032 61.614 0.418 1 1 726 . 14 1 1 A 88 88 SER CB C 66 62.178 63.082 -0.904 1 1 727 . 14 1 1 A 88 88 SER N N 66 119.726 113.806 5.920 1 1 728 . 14 1 1 A 89 89 LEU H H 67 7.737 8.850 -1.113 1 1 729 . 14 1 1 A 89 89 LEU HA H 67 4.017 4.372 -0.355 1 1 739 . 14 1 1 A 89 89 LEU C C 67 177.790 178.146 -0.356 1 1 740 . 14 1 1 A 89 89 LEU CA C 67 57.958 58.384 -0.426 1 1 741 . 14 1 1 A 89 89 LEU CB C 67 42.394 42.276 0.118 1 1 745 . 14 1 1 A 89 89 LEU N N 67 122.942 122.267 0.675 1 1 746 . 14 1 1 A 90 90 ALA H H 68 7.483 9.310 -1.827 1 1 747 . 14 1 1 A 90 90 ALA HA H 68 3.780 3.990 -0.210 1 1 751 . 14 1 1 A 90 90 ALA C C 68 180.410 179.309 1.101 1 1 752 . 14 1 1 A 90 90 ALA CA C 68 54.782 54.678 0.104 1 1 753 . 14 1 1 A 90 90 ALA CB C 68 17.857 18.290 -0.433 1 1 754 . 14 1 1 A 90 90 ALA N N 68 119.446 120.241 -0.795 1 1 755 . 14 1 1 A 91 91 HIS H H 69 7.707 8.132 -0.425 1 1 756 . 14 1 1 A 91 91 HIS HA H 69 4.377 3.960 0.417 1 1 760 . 14 1 1 A 91 91 HIS C C 69 177.865 177.176 0.689 1 1 761 . 14 1 1 A 91 91 HIS CA C 69 59.518 59.492 0.026 1 1 762 . 14 1 1 A 91 91 HIS CB C 69 30.954 29.521 1.433 1 1 763 . 14 1 1 A 91 91 HIS N N 69 116.881 117.571 -0.690 1 1 764 . 14 1 1 A 92 92 MET H H 70 8.467 8.099 0.368 1 1 765 . 14 1 1 A 92 92 MET HA H 70 4.087 4.106 -0.019 1 1 770 . 14 1 1 A 92 92 MET C C 70 178.390 177.868 0.522 1 1 771 . 14 1 1 A 92 92 MET CA C 70 55.584 58.027 -2.443 1 1 772 . 14 1 1 A 92 92 MET CB C 70 29.773 32.378 -2.605 1 1 774 . 14 1 1 A 92 92 MET N N 70 116.968 117.397 -0.429 1 1 775 . 14 1 1 A 93 93 GLN H H 71 8.309 8.251 0.058 1 1 776 . 14 1 1 A 93 93 GLN HA H 71 2.874 3.993 -1.119 1 1 781 . 14 1 1 A 93 93 GLN C C 71 178.420 178.132 0.288 1 1 782 . 14 1 1 A 93 93 GLN CA C 71 58.852 58.435 0.417 1 1 783 . 14 1 1 A 93 93 GLN CB C 71 27.658 27.906 -0.248 1 1 785 . 14 1 1 A 93 93 GLN N N 71 120.665 117.137 3.528 1 1 786 . 14 1 1 A 94 94 ASN H H 72 6.899 8.273 -1.374 1 1 787 . 14 1 1 A 94 94 ASN HA H 72 4.596 4.383 0.213 1 1 790 . 14 1 1 A 94 94 ASN C C 72 177.380 177.414 -0.034 1 1 791 . 14 1 1 A 94 94 ASN CA C 72 56.037 55.756 0.281 1 1 792 . 14 1 1 A 94 94 ASN CB C 72 38.219 38.583 -0.364 1 1 793 . 14 1 1 A 94 94 ASN N N 72 116.271 118.948 -2.677 1 1 794 . 14 1 1 A 95 95 VAL H H 73 8.050 7.587 0.463 1 1 795 . 14 1 1 A 95 95 VAL HA H 73 3.983 3.461 0.522 1 1 803 . 14 1 1 A 95 95 VAL C C 73 180.050 178.139 1.911 1 1 804 . 14 1 1 A 95 95 VAL CA C 73 66.515 65.957 0.558 1 1 805 . 14 1 1 A 95 95 VAL CB C 73 32.587 31.393 1.194 1 1 808 . 14 1 1 A 95 95 VAL N N 73 121.798 119.099 2.699 1 1 809 . 14 1 1 A 96 96 VAL H H 74 9.082 7.615 1.467 1 1 810 . 14 1 1 A 96 96 VAL HA H 74 3.986 2.847 1.139 1 1 818 . 14 1 1 A 96 96 VAL C C 74 177.490 177.930 -0.440 1 1 819 . 14 1 1 A 96 96 VAL CA C 74 67.947 66.016 1.931 1 1 820 . 14 1 1 A 96 96 VAL CB C 74 31.966 31.277 0.689 1 1 823 . 14 1 1 A 96 96 VAL N N 74 120.549 120.591 -0.042 1 1 824 . 14 1 1 A 97 97 ALA H H 75 8.285 8.174 0.111 1 1 825 . 14 1 1 A 97 97 ALA HA H 75 4.108 3.968 0.140 1 1 829 . 14 1 1 A 97 97 ALA C C 75 179.320 179.282 0.038 1 1 830 . 14 1 1 A 97 97 ALA CA C 75 56.117 54.849 1.268 1 1 831 . 14 1 1 A 97 97 ALA CB C 75 19.867 18.457 1.410 1 1 832 . 14 1 1 A 97 97 ALA N N 75 120.375 121.689 -1.314 1 1 833 . 14 1 1 A 98 98 ASP H H 76 8.522 7.503 1.019 1 1 834 . 14 1 1 A 98 98 ASP HA H 76 4.356 4.367 -0.011 1 1 837 . 14 1 1 A 98 98 ASP C C 76 179.100 178.648 0.452 1 1 838 . 14 1 1 A 98 98 ASP CA C 76 57.252 57.194 0.058 1 1 839 . 14 1 1 A 98 98 ASP CB C 76 41.335 41.044 0.291 1 1 840 . 14 1 1 A 98 98 ASP N N 76 116.871 118.740 -1.869 1 1 841 . 14 1 1 A 99 99 HIS H H 77 8.162 7.800 0.362 1 1 842 . 14 1 1 A 99 99 HIS HA H 77 3.847 4.354 -0.507 1 1 846 . 14 1 1 A 99 99 HIS C C 77 177.440 178.018 -0.578 1 1 847 . 14 1 1 A 99 99 HIS CA C 77 61.636 59.471 2.165 1 1 848 . 14 1 1 A 99 99 HIS CB C 77 29.328 29.947 -0.619 1 1 849 . 14 1 1 A 99 99 HIS N N 77 116.758 118.828 -2.070 1 1 850 . 14 1 1 A 100 100 LEU H H 78 8.718 8.426 0.292 1 1 851 . 14 1 1 A 100 100 LEU HA H 78 3.862 3.975 -0.113 1 1 861 . 14 1 1 A 100 100 LEU C C 78 177.720 179.558 -1.838 1 1 862 . 14 1 1 A 100 100 LEU CA C 78 58.746 57.446 1.300 1 1 863 . 14 1 1 A 100 100 LEU CB C 78 40.324 41.020 -0.696 1 1 867 . 14 1 1 A 100 100 LEU N N 78 120.332 119.460 0.872 1 1 868 . 14 1 1 A 101 101 GLN H H 79 8.167 8.197 -0.030 1 1 869 . 14 1 1 A 101 101 GLN HA H 79 3.973 4.053 -0.080 1 1 874 . 14 1 1 A 101 101 GLN C C 79 178.990 178.502 0.488 1 1 875 . 14 1 1 A 101 101 GLN CA C 79 58.359 58.759 -0.400 1 1 876 . 14 1 1 A 101 101 GLN CB C 79 29.575 28.645 0.930 1 1 878 . 14 1 1 A 101 101 GLN N N 79 115.715 120.057 -4.342 1 1 879 . 14 1 1 A 102 102 ARG H H 80 7.835 7.879 -0.044 1 1 880 . 14 1 1 A 102 102 ARG HA H 80 3.990 4.029 -0.039 1 1 887 . 14 1 1 A 102 102 ARG C C 80 178.540 178.413 0.127 1 1 888 . 14 1 1 A 102 102 ARG CA C 80 58.789 59.039 -0.250 1 1 889 . 14 1 1 A 102 102 ARG CB C 80 30.218 29.771 0.447 1 1 892 . 14 1 1 A 102 102 ARG N N 80 118.207 120.555 -2.348 1 1 893 . 14 1 1 A 103 103 MET H H 81 7.645 8.127 -0.482 1 1 894 . 14 1 1 A 103 103 MET HA H 81 4.353 4.060 0.293 1 1 899 . 14 1 1 A 103 103 MET C C 81 176.300 176.351 -0.051 1 1 900 . 14 1 1 A 103 103 MET CA C 81 55.646 56.866 -1.220 1 1 901 . 14 1 1 A 103 103 MET CB C 81 32.620 31.740 0.880 1 1 903 . 14 1 1 A 103 103 MET N N 81 116.250 116.583 -0.333 1 1 904 . 14 1 1 A 104 104 ALA H H 82 7.324 7.685 -0.361 1 1 905 . 14 1 1 A 104 104 ALA HA H 82 4.386 4.466 -0.080 1 1 909 . 14 1 1 A 104 104 ALA CA C 82 51.004 53.303 -2.299 1 1 910 . 14 1 1 A 104 104 ALA CB C 82 17.678 20.768 -3.090 1 1 911 . 14 1 1 A 104 104 ALA N N 82 123.602 121.763 1.839 1 1 912 . 14 1 1 A 106 106 SER HA H 84 4.610 4.624 -0.014 1 1 915 . 14 1 1 A 106 106 SER C C 84 173.480 173.610 -0.130 1 1 916 . 14 1 1 A 106 106 SER CA C 84 58.041 59.247 -1.206 1 1 917 . 14 1 1 A 106 106 SER CB C 84 64.139 65.701 -1.562 1 1 918 . 14 1 1 A 107 107 GLU H H 85 7.443 7.802 -0.359 1 1 919 . 14 1 1 A 107 107 GLU HA H 85 4.640 4.648 -0.008 1 1 924 . 14 1 1 A 107 107 GLU CA C 85 55.058 55.351 -0.293 1 1 925 . 14 1 1 A 107 107 GLU CB C 85 32.203 31.325 0.878 1 1 927 . 14 1 1 A 107 107 GLU N N 85 119.316 117.469 1.847 1 1 928 . 14 1 1 A 108 108 SER HA H 86 4.549 4.943 -0.394 1 1 931 . 14 1 1 A 108 108 SER C C 86 174.220 174.411 -0.191 1 1 932 . 14 1 1 A 108 108 SER CA C 86 57.291 57.813 -0.522 1 1 933 . 14 1 1 A 108 108 SER CB C 86 62.819 62.171 0.648 1 1 934 . 14 1 1 A 109 109 LEU H H 87 9.011 8.563 0.448 1 1 935 . 14 1 1 A 109 109 LEU HA H 87 4.606 3.957 0.649 1 1 945 . 14 1 1 A 109 109 LEU C C 87 176.720 176.908 -0.188 1 1 946 . 14 1 1 A 109 109 LEU CA C 87 54.024 55.723 -1.699 1 1 947 . 14 1 1 A 109 109 LEU CB C 87 43.358 41.083 2.275 1 1 951 . 14 1 1 A 109 109 LEU N N 87 126.582 118.960 7.622 1 1 952 . 14 1 1 A 110 110 GLU H H 88 8.530 8.948 -0.418 1 1 953 . 14 1 1 A 110 110 GLU HA H 88 4.541 4.561 -0.020 1 1 958 . 14 1 1 A 110 110 GLU C C 88 175.340 176.093 -0.753 1 1 959 . 14 1 1 A 110 110 GLU CA C 88 55.555 56.574 -1.019 1 1 960 . 14 1 1 A 110 110 GLU CB C 88 29.970 29.916 0.054 1 1 962 . 14 1 1 A 110 110 GLU N N 88 123.263 125.593 -2.330 1 1 963 . 14 1 1 A 111 111 ILE H H 89 8.842 8.494 0.348 1 1 964 . 14 1 1 A 111 111 ILE HA H 89 3.911 4.979 -1.068 1 1 974 . 14 1 1 A 111 111 ILE C C 89 173.250 174.015 -0.765 1 1 975 . 14 1 1 A 111 111 ILE CA C 89 61.207 59.275 1.932 1 1 976 . 14 1 1 A 111 111 ILE CB C 89 38.989 41.252 -2.263 1 1 980 . 14 1 1 A 111 111 ILE N N 89 128.558 121.837 6.721 1 1 981 . 14 1 1 A 112 112 ALA H H 90 8.651 8.922 -0.271 1 1 982 . 14 1 1 A 112 112 ALA HA H 90 4.733 4.879 -0.146 1 1 986 . 14 1 1 A 112 112 ALA C C 90 177.040 176.793 0.247 1 1 987 . 14 1 1 A 112 112 ALA CA C 90 50.598 50.314 0.284 1 1 988 . 14 1 1 A 112 112 ALA CB C 90 21.517 19.983 1.534 1 1 989 . 14 1 1 A 112 112 ALA N N 90 131.215 128.206 3.009 1 1 990 . 14 1 1 A 113 113 TRP H H 91 9.084 8.584 0.500 1 1 991 . 14 1 1 A 113 113 TRP HA H 91 5.129 5.314 -0.185 1 1 996 . 14 1 1 A 113 113 TRP C C 91 176.725 176.235 0.490 1 1 997 . 14 1 1 A 113 113 TRP CA C 91 56.263 55.391 0.872 1 1 998 . 14 1 1 A 113 113 TRP CB C 91 31.282 31.127 0.155 1 1 999 . 14 1 1 A 113 113 TRP N N 91 125.391 124.541 0.850 1 1 1001 . 14 1 1 A 114 114 GLN H H 92 9.712 9.218 0.494 1 1 1002 . 14 1 1 A 114 114 GLN HA H 92 5.078 4.501 0.577 1 1 1007 . 14 1 1 A 114 114 GLN CA C 92 52.872 54.214 -1.342 1 1 1008 . 14 1 1 A 114 114 GLN CB C 92 30.288 28.279 2.009 1 1 1010 . 14 1 1 A 114 114 GLN N N 92 122.696 121.293 1.403 1 1 1011 . 14 1 1 A 115 115 PRO HA H 93 4.689 4.589 0.100 1 1 1018 . 14 1 1 A 115 115 PRO C C 93 176.690 177.148 -0.458 1 1 1019 . 14 1 1 A 115 115 PRO CA C 93 63.246 65.317 -2.071 1 1 1020 . 14 1 1 A 115 115 PRO CB C 93 32.152 31.852 0.300 1 1 1023 . 14 1 1 A 116 116 ALA H H 94 8.429 8.008 0.421 1 1 1024 . 14 1 1 A 116 116 ALA HA H 94 4.615 4.573 0.042 1 1 1028 . 14 1 1 A 116 116 ALA C C 94 177.230 176.873 0.357 1 1 1029 . 14 1 1 A 116 116 ALA CA C 94 51.966 53.645 -1.679 1 1 1030 . 14 1 1 A 116 116 ALA CB C 94 20.497 17.553 2.944 1 1 1031 . 14 1 1 A 116 116 ALA N N 94 125.566 119.044 6.522 1 1 1032 . 14 1 1 A 117 117 GLU H H 95 8.754 7.890 0.864 1 1 1033 . 14 1 1 A 117 117 GLU HA H 95 4.479 4.721 -0.242 1 1 1038 . 14 1 1 A 117 117 GLU CA C 95 56.146 58.145 -1.999 1 1 1039 . 14 1 1 A 117 117 GLU CB C 95 30.856 31.873 -1.017 1 1 11 . 15 1 1 A 24 24 PHE H H 2 8.940 8.207 0.733 1 1 12 . 15 1 1 A 24 24 PHE HA H 2 4.540 5.017 -0.477 1 1 17 . 15 1 1 A 24 24 PHE C C 2 173.640 175.382 -1.742 1 1 18 . 15 1 1 A 24 24 PHE CA C 2 58.262 57.670 0.592 1 1 19 . 15 1 1 A 24 24 PHE CB C 2 40.639 41.084 -0.445 1 1 20 . 15 1 1 A 24 24 PHE N N 2 121.410 124.004 -2.594 1 1 21 . 15 1 1 A 25 25 ARG H H 3 8.559 9.063 -0.504 1 1 22 . 15 1 1 A 25 25 ARG HA H 3 5.932 5.089 0.843 1 1 29 . 15 1 1 A 25 25 ARG C C 3 175.870 174.274 1.596 1 1 30 . 15 1 1 A 25 25 ARG CA C 3 53.965 55.159 -1.194 1 1 31 . 15 1 1 A 25 25 ARG CB C 3 34.959 33.625 1.334 1 1 34 . 15 1 1 A 25 25 ARG N N 3 123.288 121.111 2.177 1 1 35 . 15 1 1 A 26 26 SER H H 4 9.096 8.968 0.128 1 1 36 . 15 1 1 A 26 26 SER HA H 4 5.306 5.578 -0.272 1 1 39 . 15 1 1 A 26 26 SER C C 4 173.230 172.816 0.414 1 1 40 . 15 1 1 A 26 26 SER CA C 4 56.908 56.437 0.471 1 1 41 . 15 1 1 A 26 26 SER CB C 4 66.846 66.747 0.099 1 1 42 . 15 1 1 A 26 26 SER N N 4 120.152 119.810 0.342 1 1 43 . 15 1 1 A 27 27 THR H H 5 8.889 8.920 -0.031 1 1 44 . 15 1 1 A 27 27 THR HA H 5 6.172 5.560 0.612 1 1 49 . 15 1 1 A 27 27 THR C C 5 173.740 172.406 1.334 1 1 50 . 15 1 1 A 27 27 THR CA C 5 59.621 60.804 -1.183 1 1 51 . 15 1 1 A 27 27 THR CB C 5 75.444 71.509 3.935 1 1 53 . 15 1 1 A 27 27 THR N N 5 112.196 114.735 -2.539 1 1 54 . 15 1 1 A 28 28 SER H H 6 8.945 9.070 -0.125 1 1 55 . 15 1 1 A 28 28 SER HA H 6 4.643 5.473 -0.830 1 1 58 . 15 1 1 A 28 28 SER C C 6 173.400 172.729 0.671 1 1 59 . 15 1 1 A 28 28 SER CA C 6 57.727 56.917 0.810 1 1 60 . 15 1 1 A 28 28 SER CB C 6 65.115 64.637 0.478 1 1 61 . 15 1 1 A 28 28 SER N N 6 115.468 121.545 -6.077 1 1 62 . 15 1 1 A 29 29 HIS H H 7 8.713 9.002 -0.289 1 1 63 . 15 1 1 A 29 29 HIS HA H 7 5.046 5.437 -0.391 1 1 67 . 15 1 1 A 29 29 HIS C C 7 175.330 173.646 1.684 1 1 68 . 15 1 1 A 29 29 HIS CA C 7 55.507 53.860 1.647 1 1 69 . 15 1 1 A 29 29 HIS CB C 7 31.214 32.831 -1.617 1 1 70 . 15 1 1 A 29 29 HIS N N 7 130.131 127.930 2.201 1 1 71 . 15 1 1 A 30 30 VAL H H 8 9.318 8.981 0.337 1 1 72 . 15 1 1 A 30 30 VAL HA H 8 4.431 4.775 -0.344 1 1 80 . 15 1 1 A 30 30 VAL C C 8 175.620 174.812 0.808 1 1 81 . 15 1 1 A 30 30 VAL CA C 8 61.142 60.299 0.843 1 1 82 . 15 1 1 A 30 30 VAL CB C 8 33.063 35.772 -2.709 1 1 85 . 15 1 1 A 30 30 VAL N N 8 128.679 126.581 2.098 1 1 86 . 15 1 1 A 31 31 ARG H H 9 9.212 8.647 0.565 1 1 87 . 15 1 1 A 31 31 ARG HA H 9 4.517 5.044 -0.527 1 1 94 . 15 1 1 A 31 31 ARG C C 9 176.520 176.125 0.395 1 1 95 . 15 1 1 A 31 31 ARG CA C 9 57.458 55.240 2.218 1 1 96 . 15 1 1 A 31 31 ARG CB C 9 29.842 30.906 -1.064 1 1 99 . 15 1 1 A 31 31 ARG N N 9 128.640 125.827 2.813 1 1 100 . 15 1 1 A 32 32 THR H H 10 7.941 9.096 -1.155 1 1 101 . 15 1 1 A 32 32 THR HA H 10 4.627 5.068 -0.441 1 1 105 . 15 1 1 A 32 32 THR C C 10 172.560 173.104 -0.544 1 1 106 . 15 1 1 A 32 32 THR CA C 10 61.473 60.377 1.096 1 1 107 . 15 1 1 A 32 32 THR CB C 10 66.191 73.197 -7.006 1 1 109 . 15 1 1 A 32 32 THR N N 10 120.036 118.601 1.435 1 1 110 . 15 1 1 A 33 33 GLU H H 11 9.022 8.938 0.084 1 1 111 . 15 1 1 A 33 33 GLU HA H 11 4.731 4.768 -0.037 1 1 116 . 15 1 1 A 33 33 GLU C C 11 177.810 176.832 0.978 1 1 117 . 15 1 1 A 33 33 GLU CA C 11 57.466 55.360 2.106 1 1 118 . 15 1 1 A 33 33 GLU CB C 11 30.044 31.835 -1.791 1 1 120 . 15 1 1 A 33 33 GLU N N 11 126.859 124.056 2.803 1 1 121 . 15 1 1 A 34 34 SER H H 12 8.930 9.322 -0.392 1 1 122 . 15 1 1 A 34 34 SER HA H 12 4.795 4.098 0.697 1 1 125 . 15 1 1 A 34 34 SER C C 12 173.360 174.474 -1.114 1 1 126 . 15 1 1 A 34 34 SER CA C 12 56.842 58.998 -2.156 1 1 127 . 15 1 1 A 34 34 SER CB C 12 63.756 62.560 1.196 1 1 128 . 15 1 1 A 34 34 SER N N 12 119.717 118.524 1.193 1 1 129 . 15 1 1 A 35 35 ALA H H 13 8.756 7.737 1.019 1 1 130 . 15 1 1 A 35 35 ALA HA H 13 3.542 3.807 -0.265 1 1 134 . 15 1 1 A 35 35 ALA C C 13 178.560 179.114 -0.554 1 1 135 . 15 1 1 A 35 35 ALA CA C 13 56.288 55.086 1.202 1 1 136 . 15 1 1 A 35 35 ALA CB C 13 21.558 18.739 2.819 1 1 137 . 15 1 1 A 35 35 ALA N N 13 121.856 122.639 -0.783 1 1 138 . 15 1 1 A 36 36 ALA H H 14 8.442 8.101 0.341 1 1 139 . 15 1 1 A 36 36 ALA HA H 14 3.691 4.281 -0.590 1 1 143 . 15 1 1 A 36 36 ALA C C 14 179.900 179.629 0.271 1 1 144 . 15 1 1 A 36 36 ALA CA C 14 55.754 54.782 0.972 1 1 145 . 15 1 1 A 36 36 ALA CB C 14 17.368 18.298 -0.930 1 1 146 . 15 1 1 A 36 36 ALA N N 14 117.191 119.311 -2.120 1 1 147 . 15 1 1 A 37 37 ARG H H 15 7.513 7.288 0.225 1 1 148 . 15 1 1 A 37 37 ARG HA H 15 4.097 4.100 -0.003 1 1 155 . 15 1 1 A 37 37 ARG C C 15 178.720 178.652 0.068 1 1 156 . 15 1 1 A 37 37 ARG CA C 15 58.699 58.738 -0.039 1 1 157 . 15 1 1 A 37 37 ARG CB C 15 30.024 29.921 0.103 1 1 160 . 15 1 1 A 37 37 ARG N N 15 118.952 118.914 0.038 1 1 161 . 15 1 1 A 38 38 TYR H H 16 7.632 7.960 -0.328 1 1 162 . 15 1 1 A 38 38 TYR HA H 16 4.433 4.330 0.103 1 1 166 . 15 1 1 A 38 38 TYR C C 16 178.110 178.346 -0.236 1 1 167 . 15 1 1 A 38 38 TYR CA C 16 58.473 60.981 -2.508 1 1 168 . 15 1 1 A 38 38 TYR CB C 16 36.286 37.556 -1.270 1 1 169 . 15 1 1 A 38 38 TYR N N 16 118.516 119.393 -0.877 1 1 170 . 15 1 1 A 39 39 VAL H H 17 8.680 7.597 1.083 1 1 171 . 15 1 1 A 39 39 VAL HA H 17 3.491 3.713 -0.222 1 1 179 . 15 1 1 A 39 39 VAL C C 17 177.450 178.151 -0.701 1 1 180 . 15 1 1 A 39 39 VAL CA C 17 68.093 66.292 1.801 1 1 181 . 15 1 1 A 39 39 VAL CB C 17 31.943 31.806 0.137 1 1 184 . 15 1 1 A 39 39 VAL N N 17 119.126 120.600 -1.474 1 1 185 . 15 1 1 A 40 40 ASN H H 18 7.813 8.011 -0.198 1 1 186 . 15 1 1 A 40 40 ASN HA H 18 4.280 4.514 -0.234 1 1 189 . 15 1 1 A 40 40 ASN C C 18 177.190 178.177 -0.987 1 1 190 . 15 1 1 A 40 40 ASN CA C 18 57.525 56.496 1.029 1 1 191 . 15 1 1 A 40 40 ASN CB C 18 39.474 37.798 1.676 1 1 192 . 15 1 1 A 40 40 ASN N N 18 118.013 117.730 0.283 1 1 193 . 15 1 1 A 41 41 ARG H H 19 8.425 8.211 0.214 1 1 194 . 15 1 1 A 41 41 ARG HA H 19 4.010 4.164 -0.154 1 1 201 . 15 1 1 A 41 41 ARG C C 19 180.050 179.233 0.817 1 1 202 . 15 1 1 A 41 41 ARG CA C 19 59.734 58.876 0.858 1 1 203 . 15 1 1 A 41 41 ARG CB C 19 30.877 29.841 1.036 1 1 206 . 15 1 1 A 41 41 ARG N N 19 116.687 120.928 -4.241 1 1 207 . 15 1 1 A 42 42 LEU H H 20 8.731 8.035 0.696 1 1 208 . 15 1 1 A 42 42 LEU HA H 20 3.904 4.112 -0.208 1 1 218 . 15 1 1 A 42 42 LEU C C 20 178.690 178.929 -0.239 1 1 219 . 15 1 1 A 42 42 LEU CA C 20 58.238 57.846 0.392 1 1 220 . 15 1 1 A 42 42 LEU CB C 20 41.659 41.718 -0.059 1 1 224 . 15 1 1 A 42 42 LEU N N 20 120.849 120.016 0.833 1 1 225 . 15 1 1 A 43 43 CYS H H 21 8.241 8.310 -0.069 1 1 226 . 15 1 1 A 43 43 CYS HA H 21 4.268 4.091 0.177 1 1 229 . 15 1 1 A 43 43 CYS C C 21 177.530 176.759 0.771 1 1 230 . 15 1 1 A 43 43 CYS CA C 21 65.374 63.417 1.957 1 1 231 . 15 1 1 A 43 43 CYS CB C 21 27.962 27.128 0.834 1 1 232 . 15 1 1 A 43 43 CYS N N 21 115.952 116.905 -0.953 1 1 233 . 15 1 1 A 44 44 LYS H H 22 8.364 7.743 0.621 1 1 234 . 15 1 1 A 44 44 LYS HA H 22 4.091 4.296 -0.205 1 1 243 . 15 1 1 A 44 44 LYS C C 22 179.020 178.757 0.263 1 1 244 . 15 1 1 A 44 44 LYS CA C 22 59.004 57.641 1.363 1 1 245 . 15 1 1 A 44 44 LYS CB C 22 31.921 32.702 -0.781 1 1 249 . 15 1 1 A 44 44 LYS N N 22 119.823 119.549 0.274 1 1 250 . 15 1 1 A 45 45 HIS H H 23 8.036 8.155 -0.119 1 1 251 . 15 1 1 A 45 45 HIS HA H 23 4.408 4.257 0.151 1 1 255 . 15 1 1 A 45 45 HIS C C 23 177.870 177.624 0.246 1 1 256 . 15 1 1 A 45 45 HIS CA C 23 60.404 59.465 0.939 1 1 257 . 15 1 1 A 45 45 HIS CB C 23 30.954 30.732 0.222 1 1 258 . 15 1 1 A 45 45 HIS N N 23 118.729 120.980 -2.251 1 1 259 . 15 1 1 A 46 46 TRP H H 24 8.426 8.491 -0.065 1 1 260 . 15 1 1 A 46 46 TRP HA H 24 4.903 4.453 0.450 1 1 265 . 15 1 1 A 46 46 TRP C C 24 177.900 177.791 0.109 1 1 266 . 15 1 1 A 46 46 TRP CA C 24 58.973 59.452 -0.479 1 1 267 . 15 1 1 A 46 46 TRP CB C 24 29.328 30.183 -0.855 1 1 268 . 15 1 1 A 46 46 TRP N N 24 117.297 120.819 -3.522 1 1 270 . 15 1 1 A 47 47 GLY H H 25 8.254 8.415 -0.161 1 1 271 . 15 1 1 A 47 47 GLY HA2 H 25 4.362 3.908 0.454 1 1 272 . 15 1 1 A 47 47 GLY HA3 H 25 3.936 3.964 -0.028 1 1 273 . 15 1 1 A 47 47 GLY CA C 25 46.812 47.265 -0.453 1 1 274 . 15 1 1 A 47 47 GLY N N 25 108.683 106.432 2.251 1 1 275 . 15 1 1 A 48 48 HIS C C 26 176.030 174.841 1.189 1 1 276 . 15 1 1 A 48 48 HIS CA C 26 58.358 57.206 1.152 1 1 277 . 15 1 1 A 48 48 HIS CB C 26 30.438 31.421 -0.983 1 1 278 . 15 1 1 A 49 49 LYS H H 27 7.544 7.504 0.040 1 1 279 . 15 1 1 A 49 49 LYS HA H 27 4.236 4.158 0.078 1 1 288 . 15 1 1 A 49 49 LYS C C 27 174.880 174.116 0.764 1 1 289 . 15 1 1 A 49 49 LYS CA C 27 56.572 55.024 1.548 1 1 290 . 15 1 1 A 49 49 LYS CB C 27 35.793 33.651 2.142 1 1 294 . 15 1 1 A 49 49 LYS N N 27 117.278 119.729 -2.451 1 1 295 . 15 1 1 A 50 50 PHE H H 28 8.178 7.417 0.761 1 1 296 . 15 1 1 A 50 50 PHE HA H 28 5.016 4.982 0.034 1 1 301 . 15 1 1 A 50 50 PHE C C 28 174.190 174.467 -0.277 1 1 302 . 15 1 1 A 50 50 PHE CA C 28 55.756 56.363 -0.607 1 1 303 . 15 1 1 A 50 50 PHE CB C 28 41.140 43.160 -2.020 1 1 304 . 15 1 1 A 50 50 PHE N N 28 118.846 118.849 -0.003 1 1 305 . 15 1 1 A 51 51 GLU H H 29 7.812 8.478 -0.666 1 1 306 . 15 1 1 A 51 51 GLU HA H 29 4.449 4.602 -0.153 1 1 311 . 15 1 1 A 51 51 GLU C C 29 175.570 175.616 -0.046 1 1 312 . 15 1 1 A 51 51 GLU CA C 29 56.852 55.960 0.892 1 1 313 . 15 1 1 A 51 51 GLU CB C 29 30.207 29.634 0.573 1 1 315 . 15 1 1 A 51 51 GLU N N 29 120.355 120.946 -0.591 1 1 316 . 15 1 1 A 52 52 VAL H H 30 8.395 8.890 -0.495 1 1 317 . 15 1 1 A 52 52 VAL HA H 30 5.383 5.547 -0.164 1 1 325 . 15 1 1 A 52 52 VAL C C 30 175.850 174.679 1.171 1 1 326 . 15 1 1 A 52 52 VAL CA C 30 59.969 60.544 -0.575 1 1 327 . 15 1 1 A 52 52 VAL CB C 30 36.173 33.739 2.434 1 1 330 . 15 1 1 A 52 52 VAL N N 30 124.120 121.000 3.120 1 1 331 . 15 1 1 A 53 53 GLU H H 31 9.289 9.219 0.070 1 1 332 . 15 1 1 A 53 53 GLU HA H 31 4.717 4.905 -0.188 1 1 337 . 15 1 1 A 53 53 GLU C C 31 174.370 175.038 -0.668 1 1 338 . 15 1 1 A 53 53 GLU CA C 31 55.415 55.923 -0.508 1 1 339 . 15 1 1 A 53 53 GLU CB C 31 33.211 31.522 1.689 1 1 341 . 15 1 1 A 53 53 GLU N N 31 126.346 127.367 -1.021 1 1 342 . 15 1 1 A 54 54 LEU H H 32 8.763 8.950 -0.187 1 1 343 . 15 1 1 A 54 54 LEU HA H 32 5.375 5.083 0.292 1 1 353 . 15 1 1 A 54 54 LEU C C 32 175.100 175.530 -0.430 1 1 354 . 15 1 1 A 54 54 LEU CA C 32 55.010 53.777 1.233 1 1 355 . 15 1 1 A 54 54 LEU CB C 32 45.485 44.587 0.898 1 1 359 . 15 1 1 A 54 54 LEU N N 32 126.898 126.429 0.469 1 1 360 . 15 1 1 A 55 55 THR H H 33 9.159 8.200 0.959 1 1 361 . 15 1 1 A 55 55 THR HA H 33 4.886 5.073 -0.187 1 1 366 . 15 1 1 A 55 55 THR CA C 33 59.489 58.722 0.767 1 1 367 . 15 1 1 A 55 55 THR CB C 33 69.241 70.160 -0.919 1 1 369 . 15 1 1 A 55 55 THR N N 33 121.246 116.671 4.575 1 1 370 . 15 1 1 A 56 56 PRO HA H 34 4.269 4.611 -0.342 1 1 377 . 15 1 1 A 56 56 PRO C C 34 177.750 175.649 2.101 1 1 378 . 15 1 1 A 56 56 PRO CA C 34 65.968 62.827 3.141 1 1 379 . 15 1 1 A 56 56 PRO CB C 34 31.786 29.696 2.090 1 1 382 . 15 1 1 A 57 57 GLU H H 35 8.148 8.364 -0.216 1 1 383 . 15 1 1 A 57 57 GLU HA H 35 4.351 4.534 -0.183 1 1 388 . 15 1 1 A 57 57 GLU C C 35 175.720 175.893 -0.173 1 1 389 . 15 1 1 A 57 57 GLU CA C 35 57.085 56.862 0.223 1 1 390 . 15 1 1 A 57 57 GLU CB C 35 30.299 32.401 -2.102 1 1 392 . 15 1 1 A 57 57 GLU N N 35 112.303 120.410 -8.107 1 1 393 . 15 1 1 A 58 58 ARG H H 36 7.777 7.839 -0.062 1 1 394 . 15 1 1 A 58 58 ARG HA H 36 5.418 5.127 0.291 1 1 401 . 15 1 1 A 58 58 ARG C C 36 173.610 173.965 -0.355 1 1 402 . 15 1 1 A 58 58 ARG CA C 36 55.576 55.006 0.570 1 1 403 . 15 1 1 A 58 58 ARG CB C 36 33.324 32.608 0.716 1 1 406 . 15 1 1 A 58 58 ARG N N 36 122.018 115.515 6.503 1 1 407 . 15 1 1 A 59 59 GLY H H 37 9.650 8.714 0.936 1 1 408 . 15 1 1 A 59 59 GLY HA2 H 37 5.484 4.277 1.207 1 1 409 . 15 1 1 A 59 59 GLY HA3 H 37 3.554 4.286 -0.732 1 1 410 . 15 1 1 A 59 59 GLY C C 37 171.630 172.008 -0.378 1 1 411 . 15 1 1 A 59 59 GLY CA C 37 44.563 44.529 0.034 1 1 412 . 15 1 1 A 59 59 GLY N N 37 113.745 106.896 6.849 1 1 413 . 15 1 1 A 60 60 PHE H H 38 9.138 8.894 0.244 1 1 414 . 15 1 1 A 60 60 PHE HA H 38 5.472 5.043 0.429 1 1 419 . 15 1 1 A 60 60 PHE C C 38 173.180 174.042 -0.862 1 1 420 . 15 1 1 A 60 60 PHE CA C 38 57.234 56.253 0.981 1 1 421 . 15 1 1 A 60 60 PHE CB C 38 43.107 40.960 2.147 1 1 422 . 15 1 1 A 60 60 PHE N N 38 124.144 125.771 -1.627 1 1 423 . 15 1 1 A 61 61 ILE H H 39 8.618 8.723 -0.105 1 1 424 . 15 1 1 A 61 61 ILE HA H 39 4.226 4.808 -0.582 1 1 434 . 15 1 1 A 61 61 ILE C C 39 172.950 173.725 -0.775 1 1 435 . 15 1 1 A 61 61 ILE CA C 39 60.357 60.416 -0.059 1 1 436 . 15 1 1 A 61 61 ILE CB C 39 41.488 39.895 1.593 1 1 440 . 15 1 1 A 61 61 ILE N N 39 126.753 128.077 -1.324 1 1 441 . 15 1 1 A 62 62 ASP H H 40 8.192 8.334 -0.142 1 1 442 . 15 1 1 A 62 62 ASP HA H 40 4.464 4.876 -0.412 1 1 445 . 15 1 1 A 62 62 ASP C C 40 176.240 175.881 0.359 1 1 446 . 15 1 1 A 62 62 ASP CA C 40 52.208 52.424 -0.216 1 1 447 . 15 1 1 A 62 62 ASP CB C 40 41.489 43.548 -2.059 1 1 448 . 15 1 1 A 62 62 ASP N N 40 124.314 128.890 -4.576 1 1 449 . 15 1 1 A 63 63 PHE H H 41 8.165 8.649 -0.484 1 1 450 . 15 1 1 A 63 63 PHE HA H 41 4.007 4.702 -0.695 1 1 454 . 15 1 1 A 63 63 PHE C C 41 175.640 175.677 -0.037 1 1 455 . 15 1 1 A 63 63 PHE CA C 41 58.407 58.079 0.328 1 1 456 . 15 1 1 A 63 63 PHE CB C 41 38.486 39.319 -0.833 1 1 457 . 15 1 1 A 63 63 PHE N N 41 123.395 124.093 -0.698 1 1 458 . 15 1 1 A 64 64 GLY H H 42 9.003 7.567 1.436 1 1 459 . 15 1 1 A 64 64 GLY HA2 H 42 4.675 4.137 0.538 1 1 460 . 15 1 1 A 64 64 GLY HA3 H 42 3.484 4.168 -0.684 1 1 461 . 15 1 1 A 64 64 GLY CA C 42 45.938 45.151 0.787 1 1 462 . 15 1 1 A 64 64 GLY N N 42 112.196 107.073 5.123 1 1 463 . 15 1 1 A 65 65 ASP HA H 43 4.675 4.784 -0.109 1 1 466 . 15 1 1 A 65 65 ASP C C 43 176.170 174.389 1.781 1 1 467 . 15 1 1 A 65 65 ASP CA C 43 55.415 53.366 2.049 1 1 468 . 15 1 1 A 65 65 ASP CB C 43 41.379 38.968 2.411 1 1 469 . 15 1 1 A 66 66 SER H H 44 7.743 7.728 0.015 1 1 470 . 15 1 1 A 66 66 SER HA H 44 5.292 5.039 0.253 1 1 473 . 15 1 1 A 66 66 SER C C 44 172.190 172.373 -0.183 1 1 474 . 15 1 1 A 66 66 SER CA C 44 57.890 57.712 0.178 1 1 475 . 15 1 1 A 66 66 SER CB C 44 66.054 66.053 0.001 1 1 476 . 15 1 1 A 66 66 SER N N 44 112.796 111.176 1.620 1 1 477 . 15 1 1 A 67 67 ASN H H 45 9.075 9.145 -0.070 1 1 478 . 15 1 1 A 67 67 ASN HA H 45 5.126 5.325 -0.199 1 1 481 . 15 1 1 A 67 67 ASN C C 45 172.300 173.799 -1.499 1 1 482 . 15 1 1 A 67 67 ASN CA C 45 52.997 51.789 1.208 1 1 483 . 15 1 1 A 67 67 ASN CB C 45 42.047 43.600 -1.553 1 1 484 . 15 1 1 A 67 67 ASN N N 45 114.955 117.267 -2.312 1 1 485 . 15 1 1 A 68 68 CYS H H 46 8.757 8.458 0.299 1 1 486 . 15 1 1 A 68 68 CYS HA H 46 5.652 4.940 0.712 1 1 489 . 15 1 1 A 68 68 CYS C C 46 170.650 172.950 -2.300 1 1 490 . 15 1 1 A 68 68 CYS CA C 46 56.668 58.479 -1.811 1 1 491 . 15 1 1 A 68 68 CYS CB C 46 31.195 29.485 1.710 1 1 492 . 15 1 1 A 68 68 CYS N N 46 119.184 118.372 0.812 1 1 493 . 15 1 1 A 69 69 GLU H H 47 9.587 9.431 0.156 1 1 494 . 15 1 1 A 69 69 GLU HA H 47 5.283 5.432 -0.149 1 1 499 . 15 1 1 A 69 69 GLU C C 47 174.190 175.115 -0.925 1 1 500 . 15 1 1 A 69 69 GLU CA C 47 54.401 55.818 -1.417 1 1 501 . 15 1 1 A 69 69 GLU CB C 47 33.607 31.654 1.953 1 1 503 . 15 1 1 A 69 69 GLU N N 47 131.612 128.790 2.822 1 1 504 . 15 1 1 A 70 70 LEU H H 48 9.523 8.466 1.057 1 1 505 . 15 1 1 A 70 70 LEU HA H 48 5.314 4.985 0.329 1 1 515 . 15 1 1 A 70 70 LEU C C 48 174.730 174.034 0.696 1 1 516 . 15 1 1 A 70 70 LEU CA C 48 53.570 54.287 -0.717 1 1 517 . 15 1 1 A 70 70 LEU CB C 48 46.109 45.568 0.541 1 1 521 . 15 1 1 A 70 70 LEU N N 48 125.069 125.234 -0.165 1 1 522 . 15 1 1 A 71 71 LEU H H 49 9.493 9.421 0.072 1 1 523 . 15 1 1 A 71 71 LEU HA H 49 5.001 5.230 -0.229 1 1 533 . 15 1 1 A 71 71 LEU C C 49 175.310 175.285 0.025 1 1 534 . 15 1 1 A 71 71 LEU CA C 49 53.809 54.055 -0.246 1 1 535 . 15 1 1 A 71 71 LEU CB C 49 42.880 44.167 -1.287 1 1 539 . 15 1 1 A 71 71 LEU N N 49 123.714 128.651 -4.937 1 1 540 . 15 1 1 A 72 72 ALA H H 50 8.255 8.310 -0.055 1 1 541 . 15 1 1 A 72 72 ALA HA H 50 4.307 5.168 -0.861 1 1 545 . 15 1 1 A 72 72 ALA C C 50 174.800 175.307 -0.507 1 1 546 . 15 1 1 A 72 72 ALA CA C 50 51.618 51.477 0.141 1 1 547 . 15 1 1 A 72 72 ALA CB C 50 18.634 21.450 -2.816 1 1 548 . 15 1 1 A 72 72 ALA N N 50 125.398 128.271 -2.873 1 1 549 . 15 1 1 A 73 73 HIS H H 51 8.053 9.514 -1.461 1 1 550 . 15 1 1 A 73 73 HIS HA H 51 4.953 4.955 -0.002 1 1 554 . 15 1 1 A 73 73 HIS CA C 51 54.682 53.904 0.778 1 1 555 . 15 1 1 A 73 73 HIS CB C 51 31.150 32.100 -0.950 1 1 556 . 15 1 1 A 73 73 HIS N N 51 123.172 123.856 -0.684 1 1 557 . 15 1 1 A 74 74 PRO HA H 52 4.385 4.083 0.302 1 1 564 . 15 1 1 A 74 74 PRO C C 52 176.370 177.229 -0.859 1 1 565 . 15 1 1 A 74 74 PRO CA C 52 65.625 64.983 0.642 1 1 566 . 15 1 1 A 74 74 PRO CB C 52 32.014 31.813 0.201 1 1 569 . 15 1 1 A 75 75 ASP H H 53 8.303 8.174 0.129 1 1 570 . 15 1 1 A 75 75 ASP HA H 53 4.955 5.370 -0.415 1 1 573 . 15 1 1 A 75 75 ASP C C 53 177.380 175.201 2.179 1 1 574 . 15 1 1 A 75 75 ASP CA C 53 52.034 53.358 -1.324 1 1 575 . 15 1 1 A 75 75 ASP CB C 53 41.826 43.092 -1.266 1 1 576 . 15 1 1 A 75 75 ASP N N 53 109.961 115.630 -5.669 1 1 577 . 15 1 1 A 76 76 HIS H H 54 7.379 7.574 -0.195 1 1 578 . 15 1 1 A 76 76 HIS HA H 54 5.421 5.494 -0.073 1 1 582 . 15 1 1 A 76 76 HIS C C 54 172.470 172.844 -0.374 1 1 583 . 15 1 1 A 76 76 HIS CA C 54 56.943 54.328 2.615 1 1 584 . 15 1 1 A 76 76 HIS CB C 54 29.909 34.061 -4.152 1 1 585 . 15 1 1 A 76 76 HIS N N 54 114.752 116.312 -1.560 1 1 586 . 15 1 1 A 77 77 VAL H H 55 8.933 8.650 0.283 1 1 587 . 15 1 1 A 77 77 VAL HA H 55 4.837 5.176 -0.339 1 1 595 . 15 1 1 A 77 77 VAL C C 55 173.420 173.918 -0.498 1 1 596 . 15 1 1 A 77 77 VAL CA C 55 59.429 59.886 -0.457 1 1 597 . 15 1 1 A 77 77 VAL CB C 55 35.121 35.600 -0.479 1 1 600 . 15 1 1 A 77 77 VAL N N 55 117.287 119.707 -2.420 1 1 601 . 15 1 1 A 78 78 LEU H H 56 9.004 9.566 -0.562 1 1 602 . 15 1 1 A 78 78 LEU HA H 56 5.466 5.281 0.185 1 1 612 . 15 1 1 A 78 78 LEU C C 56 175.140 175.944 -0.804 1 1 613 . 15 1 1 A 78 78 LEU CA C 56 53.084 53.807 -0.723 1 1 614 . 15 1 1 A 78 78 LEU CB C 56 44.499 45.501 -1.002 1 1 618 . 15 1 1 A 78 78 LEU N N 56 130.334 128.046 2.288 1 1 619 . 15 1 1 A 79 79 MET H H 57 9.381 8.813 0.568 1 1 620 . 15 1 1 A 79 79 MET HA H 57 5.678 5.257 0.421 1 1 625 . 15 1 1 A 79 79 MET C C 57 175.160 174.713 0.447 1 1 626 . 15 1 1 A 79 79 MET CA C 57 54.216 54.390 -0.174 1 1 627 . 15 1 1 A 79 79 MET CB C 57 37.309 35.118 2.191 1 1 629 . 15 1 1 A 79 79 MET N N 57 124.304 122.063 2.241 1 1 630 . 15 1 1 A 80 80 ILE H H 58 9.552 8.745 0.807 1 1 631 . 15 1 1 A 80 80 ILE HA H 58 4.957 5.138 -0.181 1 1 641 . 15 1 1 A 80 80 ILE C C 58 175.160 175.478 -0.318 1 1 642 . 15 1 1 A 80 80 ILE CA C 58 61.338 60.085 1.253 1 1 643 . 15 1 1 A 80 80 ILE CB C 58 41.092 41.334 -0.242 1 1 647 . 15 1 1 A 80 80 ILE N N 58 122.359 124.658 -2.299 1 1 648 . 15 1 1 A 81 81 LEU H H 59 9.549 9.148 0.401 1 1 649 . 15 1 1 A 81 81 LEU HA H 59 5.274 5.249 0.025 1 1 659 . 15 1 1 A 81 81 LEU C C 59 174.280 175.326 -1.046 1 1 660 . 15 1 1 A 81 81 LEU CA C 59 53.621 52.672 0.949 1 1 661 . 15 1 1 A 81 81 LEU CB C 59 46.837 45.196 1.641 1 1 665 . 15 1 1 A 81 81 LEU N N 59 131.901 124.610 7.291 1 1 666 . 15 1 1 A 82 82 ASN H H 60 8.516 8.455 0.061 1 1 667 . 15 1 1 A 82 82 ASN HA H 60 5.851 5.506 0.345 1 1 670 . 15 1 1 A 82 82 ASN C C 60 174.840 174.101 0.739 1 1 671 . 15 1 1 A 82 82 ASN CA C 60 52.549 52.049 0.500 1 1 672 . 15 1 1 A 82 82 ASN CB C 60 43.188 39.739 3.449 1 1 673 . 15 1 1 A 82 82 ASN N N 60 120.142 118.909 1.233 1 1 674 . 15 1 1 A 83 83 SER H H 61 9.176 8.388 0.788 1 1 675 . 15 1 1 A 83 83 SER HA H 61 5.295 4.895 0.400 1 1 678 . 15 1 1 A 83 83 SER CA C 61 57.388 55.718 1.670 1 1 679 . 15 1 1 A 83 83 SER CB C 61 68.052 65.948 2.104 1 1 680 . 15 1 1 A 83 83 SER N N 61 116.871 119.376 -2.505 1 1 681 . 15 1 1 A 84 84 PRO HA H 62 4.907 4.055 0.852 1 1 688 . 15 1 1 A 84 84 PRO C C 62 175.210 175.777 -0.567 1 1 689 . 15 1 1 A 84 84 PRO CA C 62 64.539 63.693 0.846 1 1 690 . 15 1 1 A 84 84 PRO CB C 62 32.726 31.754 0.972 1 1 693 . 15 1 1 A 85 85 ASP H H 63 7.228 7.620 -0.392 1 1 694 . 15 1 1 A 85 85 ASP HA H 63 4.630 5.454 -0.824 1 1 697 . 15 1 1 A 85 85 ASP C C 63 174.540 176.144 -1.604 1 1 698 . 15 1 1 A 85 85 ASP CA C 63 53.119 52.626 0.493 1 1 699 . 15 1 1 A 85 85 ASP CB C 63 42.880 44.333 -1.453 1 1 700 . 15 1 1 A 85 85 ASP N N 63 112.313 118.720 -6.407 1 1 701 . 15 1 1 A 86 86 GLU H H 64 8.761 9.455 -0.694 1 1 702 . 15 1 1 A 86 86 GLU HA H 64 3.321 4.118 -0.797 1 1 707 . 15 1 1 A 86 86 GLU C C 64 178.440 178.590 -0.150 1 1 708 . 15 1 1 A 86 86 GLU CA C 64 59.937 59.720 0.217 1 1 709 . 15 1 1 A 86 86 GLU CB C 64 29.707 29.706 0.001 1 1 711 . 15 1 1 A 86 86 GLU N N 64 120.055 122.817 -2.762 1 1 712 . 15 1 1 A 87 87 ASP H H 65 8.332 8.380 -0.048 1 1 713 . 15 1 1 A 87 87 ASP HA H 65 4.414 4.311 0.103 1 1 716 . 15 1 1 A 87 87 ASP C C 65 179.400 178.102 1.298 1 1 717 . 15 1 1 A 87 87 ASP CA C 65 57.203 57.699 -0.496 1 1 718 . 15 1 1 A 87 87 ASP CB C 65 40.323 41.184 -0.861 1 1 719 . 15 1 1 A 87 87 ASP N N 65 121.933 120.472 1.461 1 1 720 . 15 1 1 A 88 88 SER H H 66 8.949 7.947 1.002 1 1 721 . 15 1 1 A 88 88 SER HA H 66 4.169 4.211 -0.042 1 1 724 . 15 1 1 A 88 88 SER C C 66 176.110 177.063 -0.953 1 1 725 . 15 1 1 A 88 88 SER CA C 66 62.032 61.590 0.442 1 1 726 . 15 1 1 A 88 88 SER CB C 66 62.178 63.074 -0.896 1 1 727 . 15 1 1 A 88 88 SER N N 66 119.726 113.805 5.921 1 1 728 . 15 1 1 A 89 89 LEU H H 67 7.737 8.757 -1.020 1 1 729 . 15 1 1 A 89 89 LEU HA H 67 4.017 4.409 -0.392 1 1 739 . 15 1 1 A 89 89 LEU C C 67 177.790 178.140 -0.350 1 1 740 . 15 1 1 A 89 89 LEU CA C 67 57.958 58.386 -0.428 1 1 741 . 15 1 1 A 89 89 LEU CB C 67 42.394 42.282 0.112 1 1 745 . 15 1 1 A 89 89 LEU N N 67 122.942 122.268 0.674 1 1 746 . 15 1 1 A 90 90 ALA H H 68 7.483 9.492 -2.009 1 1 747 . 15 1 1 A 90 90 ALA HA H 68 3.780 3.985 -0.205 1 1 751 . 15 1 1 A 90 90 ALA C C 68 180.410 179.477 0.933 1 1 752 . 15 1 1 A 90 90 ALA CA C 68 54.782 54.690 0.092 1 1 753 . 15 1 1 A 90 90 ALA CB C 68 17.857 18.407 -0.550 1 1 754 . 15 1 1 A 90 90 ALA N N 68 119.446 120.495 -1.049 1 1 755 . 15 1 1 A 91 91 HIS H H 69 7.707 8.226 -0.519 1 1 756 . 15 1 1 A 91 91 HIS HA H 69 4.377 3.991 0.386 1 1 760 . 15 1 1 A 91 91 HIS C C 69 177.865 177.071 0.794 1 1 761 . 15 1 1 A 91 91 HIS CA C 69 59.518 59.499 0.019 1 1 762 . 15 1 1 A 91 91 HIS CB C 69 30.954 29.537 1.417 1 1 763 . 15 1 1 A 91 91 HIS N N 69 116.881 117.849 -0.968 1 1 764 . 15 1 1 A 92 92 MET H H 70 8.467 8.333 0.134 1 1 765 . 15 1 1 A 92 92 MET HA H 70 4.087 3.912 0.175 1 1 770 . 15 1 1 A 92 92 MET C C 70 178.390 178.044 0.346 1 1 771 . 15 1 1 A 92 92 MET CA C 70 55.584 58.576 -2.992 1 1 772 . 15 1 1 A 92 92 MET CB C 70 29.773 33.294 -3.521 1 1 774 . 15 1 1 A 92 92 MET N N 70 116.968 116.799 0.169 1 1 775 . 15 1 1 A 93 93 GLN H H 71 8.309 8.264 0.045 1 1 776 . 15 1 1 A 93 93 GLN HA H 71 2.874 4.014 -1.140 1 1 781 . 15 1 1 A 93 93 GLN C C 71 178.420 177.968 0.452 1 1 782 . 15 1 1 A 93 93 GLN CA C 71 58.852 58.464 0.388 1 1 783 . 15 1 1 A 93 93 GLN CB C 71 27.658 28.072 -0.414 1 1 785 . 15 1 1 A 93 93 GLN N N 71 120.665 117.211 3.454 1 1 786 . 15 1 1 A 94 94 ASN H H 72 6.899 8.018 -1.119 1 1 787 . 15 1 1 A 94 94 ASN HA H 72 4.596 4.391 0.205 1 1 790 . 15 1 1 A 94 94 ASN C C 72 177.380 177.564 -0.184 1 1 791 . 15 1 1 A 94 94 ASN CA C 72 56.037 56.015 0.022 1 1 792 . 15 1 1 A 94 94 ASN CB C 72 38.219 38.348 -0.129 1 1 793 . 15 1 1 A 94 94 ASN N N 72 116.271 118.885 -2.614 1 1 794 . 15 1 1 A 95 95 VAL H H 73 8.050 7.607 0.443 1 1 795 . 15 1 1 A 95 95 VAL HA H 73 3.983 3.426 0.557 1 1 803 . 15 1 1 A 95 95 VAL C C 73 180.050 178.132 1.918 1 1 804 . 15 1 1 A 95 95 VAL CA C 73 66.515 66.341 0.174 1 1 805 . 15 1 1 A 95 95 VAL CB C 73 32.587 31.378 1.209 1 1 808 . 15 1 1 A 95 95 VAL N N 73 121.798 119.737 2.061 1 1 809 . 15 1 1 A 96 96 VAL H H 74 9.082 7.593 1.489 1 1 810 . 15 1 1 A 96 96 VAL HA H 74 3.986 2.790 1.196 1 1 818 . 15 1 1 A 96 96 VAL C C 74 177.490 177.902 -0.412 1 1 819 . 15 1 1 A 96 96 VAL CA C 74 67.947 66.000 1.947 1 1 820 . 15 1 1 A 96 96 VAL CB C 74 31.966 31.265 0.701 1 1 823 . 15 1 1 A 96 96 VAL N N 74 120.549 120.524 0.025 1 1 824 . 15 1 1 A 97 97 ALA H H 75 8.285 7.680 0.605 1 1 825 . 15 1 1 A 97 97 ALA HA H 75 4.108 3.936 0.172 1 1 829 . 15 1 1 A 97 97 ALA C C 75 179.320 179.315 0.005 1 1 830 . 15 1 1 A 97 97 ALA CA C 75 56.117 54.873 1.244 1 1 831 . 15 1 1 A 97 97 ALA CB C 75 19.867 18.444 1.423 1 1 832 . 15 1 1 A 97 97 ALA N N 75 120.375 121.680 -1.305 1 1 833 . 15 1 1 A 98 98 ASP H H 76 8.522 7.583 0.939 1 1 834 . 15 1 1 A 98 98 ASP HA H 76 4.356 4.363 -0.007 1 1 837 . 15 1 1 A 98 98 ASP C C 76 179.100 178.735 0.365 1 1 838 . 15 1 1 A 98 98 ASP CA C 76 57.252 57.406 -0.154 1 1 839 . 15 1 1 A 98 98 ASP CB C 76 41.335 40.858 0.477 1 1 840 . 15 1 1 A 98 98 ASP N N 76 116.871 118.665 -1.794 1 1 841 . 15 1 1 A 99 99 HIS H H 77 8.162 7.723 0.439 1 1 842 . 15 1 1 A 99 99 HIS HA H 77 3.847 4.279 -0.432 1 1 846 . 15 1 1 A 99 99 HIS C C 77 177.440 178.235 -0.795 1 1 847 . 15 1 1 A 99 99 HIS CA C 77 61.636 59.346 2.290 1 1 848 . 15 1 1 A 99 99 HIS CB C 77 29.328 29.692 -0.364 1 1 849 . 15 1 1 A 99 99 HIS N N 77 116.758 118.472 -1.714 1 1 850 . 15 1 1 A 100 100 LEU H H 78 8.718 8.227 0.491 1 1 851 . 15 1 1 A 100 100 LEU HA H 78 3.862 3.935 -0.073 1 1 861 . 15 1 1 A 100 100 LEU C C 78 177.720 179.706 -1.986 1 1 862 . 15 1 1 A 100 100 LEU CA C 78 58.746 57.321 1.425 1 1 863 . 15 1 1 A 100 100 LEU CB C 78 40.324 41.122 -0.798 1 1 867 . 15 1 1 A 100 100 LEU N N 78 120.332 119.379 0.953 1 1 868 . 15 1 1 A 101 101 GLN H H 79 8.167 8.062 0.105 1 1 869 . 15 1 1 A 101 101 GLN HA H 79 3.973 4.030 -0.057 1 1 874 . 15 1 1 A 101 101 GLN C C 79 178.990 178.662 0.328 1 1 875 . 15 1 1 A 101 101 GLN CA C 79 58.359 58.818 -0.459 1 1 876 . 15 1 1 A 101 101 GLN CB C 79 29.575 28.624 0.951 1 1 878 . 15 1 1 A 101 101 GLN N N 79 115.715 120.039 -4.324 1 1 879 . 15 1 1 A 102 102 ARG H H 80 7.835 7.775 0.060 1 1 880 . 15 1 1 A 102 102 ARG HA H 80 3.990 4.043 -0.053 1 1 887 . 15 1 1 A 102 102 ARG C C 80 178.540 177.481 1.059 1 1 888 . 15 1 1 A 102 102 ARG CA C 80 58.789 58.983 -0.194 1 1 889 . 15 1 1 A 102 102 ARG CB C 80 30.218 30.051 0.167 1 1 892 . 15 1 1 A 102 102 ARG N N 80 118.207 118.528 -0.321 1 1 893 . 15 1 1 A 103 103 MET H H 81 7.645 7.900 -0.255 1 1 894 . 15 1 1 A 103 103 MET HA H 81 4.353 4.185 0.168 1 1 899 . 15 1 1 A 103 103 MET C C 81 176.300 175.997 0.303 1 1 900 . 15 1 1 A 103 103 MET CA C 81 55.646 56.813 -1.167 1 1 901 . 15 1 1 A 103 103 MET CB C 81 32.620 31.770 0.850 1 1 903 . 15 1 1 A 103 103 MET N N 81 116.250 116.153 0.097 1 1 904 . 15 1 1 A 104 104 ALA H H 82 7.324 7.917 -0.593 1 1 905 . 15 1 1 A 104 104 ALA HA H 82 4.386 4.643 -0.257 1 1 909 . 15 1 1 A 104 104 ALA CA C 82 51.004 50.695 0.309 1 1 910 . 15 1 1 A 104 104 ALA CB C 82 17.678 19.617 -1.939 1 1 911 . 15 1 1 A 104 104 ALA N N 82 123.602 122.423 1.179 1 1 912 . 15 1 1 A 106 106 SER HA H 84 4.610 4.639 -0.029 1 1 915 . 15 1 1 A 106 106 SER C C 84 173.480 173.394 0.086 1 1 916 . 15 1 1 A 106 106 SER CA C 84 58.041 59.274 -1.233 1 1 917 . 15 1 1 A 106 106 SER CB C 84 64.139 65.936 -1.797 1 1 918 . 15 1 1 A 107 107 GLU H H 85 7.443 7.825 -0.382 1 1 919 . 15 1 1 A 107 107 GLU HA H 85 4.640 4.687 -0.047 1 1 924 . 15 1 1 A 107 107 GLU CA C 85 55.058 55.156 -0.098 1 1 925 . 15 1 1 A 107 107 GLU CB C 85 32.203 31.775 0.428 1 1 927 . 15 1 1 A 107 107 GLU N N 85 119.316 117.159 2.157 1 1 928 . 15 1 1 A 108 108 SER HA H 86 4.549 4.902 -0.353 1 1 931 . 15 1 1 A 108 108 SER C C 86 174.220 173.728 0.492 1 1 932 . 15 1 1 A 108 108 SER CA C 86 57.291 56.934 0.357 1 1 933 . 15 1 1 A 108 108 SER CB C 86 62.819 61.774 1.045 1 1 934 . 15 1 1 A 109 109 LEU H H 87 9.011 8.095 0.916 1 1 935 . 15 1 1 A 109 109 LEU HA H 87 4.606 3.943 0.663 1 1 945 . 15 1 1 A 109 109 LEU C C 87 176.720 176.243 0.477 1 1 946 . 15 1 1 A 109 109 LEU CA C 87 54.024 55.525 -1.501 1 1 947 . 15 1 1 A 109 109 LEU CB C 87 43.358 40.792 2.566 1 1 951 . 15 1 1 A 109 109 LEU N N 87 126.582 124.694 1.888 1 1 952 . 15 1 1 A 110 110 GLU H H 88 8.530 8.912 -0.382 1 1 953 . 15 1 1 A 110 110 GLU HA H 88 4.541 4.574 -0.033 1 1 958 . 15 1 1 A 110 110 GLU C C 88 175.340 176.114 -0.774 1 1 959 . 15 1 1 A 110 110 GLU CA C 88 55.555 56.318 -0.763 1 1 960 . 15 1 1 A 110 110 GLU CB C 88 29.970 29.942 0.028 1 1 962 . 15 1 1 A 110 110 GLU N N 88 123.263 125.876 -2.613 1 1 963 . 15 1 1 A 111 111 ILE H H 89 8.842 8.479 0.363 1 1 964 . 15 1 1 A 111 111 ILE HA H 89 3.911 4.978 -1.067 1 1 974 . 15 1 1 A 111 111 ILE C C 89 173.250 174.188 -0.938 1 1 975 . 15 1 1 A 111 111 ILE CA C 89 61.207 59.288 1.919 1 1 976 . 15 1 1 A 111 111 ILE CB C 89 38.989 41.140 -2.151 1 1 980 . 15 1 1 A 111 111 ILE N N 89 128.558 122.071 6.487 1 1 981 . 15 1 1 A 112 112 ALA H H 90 8.651 8.968 -0.317 1 1 982 . 15 1 1 A 112 112 ALA HA H 90 4.733 4.935 -0.202 1 1 986 . 15 1 1 A 112 112 ALA C C 90 177.040 176.611 0.429 1 1 987 . 15 1 1 A 112 112 ALA CA C 90 50.598 50.281 0.317 1 1 988 . 15 1 1 A 112 112 ALA CB C 90 21.517 20.000 1.517 1 1 989 . 15 1 1 A 112 112 ALA N N 90 131.215 128.383 2.832 1 1 990 . 15 1 1 A 113 113 TRP H H 91 9.084 8.634 0.450 1 1 991 . 15 1 1 A 113 113 TRP HA H 91 5.129 5.347 -0.218 1 1 996 . 15 1 1 A 113 113 TRP C C 91 176.725 176.240 0.485 1 1 997 . 15 1 1 A 113 113 TRP CA C 91 56.263 55.382 0.881 1 1 998 . 15 1 1 A 113 113 TRP CB C 91 31.282 31.225 0.057 1 1 999 . 15 1 1 A 113 113 TRP N N 91 125.391 124.539 0.852 1 1 1001 . 15 1 1 A 114 114 GLN H H 92 9.712 9.253 0.459 1 1 1002 . 15 1 1 A 114 114 GLN HA H 92 5.078 4.480 0.598 1 1 1007 . 15 1 1 A 114 114 GLN CA C 92 52.872 54.185 -1.313 1 1 1008 . 15 1 1 A 114 114 GLN CB C 92 30.288 28.310 1.978 1 1 1010 . 15 1 1 A 114 114 GLN N N 92 122.696 121.516 1.180 1 1 1011 . 15 1 1 A 115 115 PRO HA H 93 4.689 4.572 0.117 1 1 1018 . 15 1 1 A 115 115 PRO C C 93 176.690 177.169 -0.479 1 1 1019 . 15 1 1 A 115 115 PRO CA C 93 63.246 65.245 -1.999 1 1 1020 . 15 1 1 A 115 115 PRO CB C 93 32.152 31.848 0.304 1 1 1023 . 15 1 1 A 116 116 ALA H H 94 8.429 7.971 0.458 1 1 1024 . 15 1 1 A 116 116 ALA HA H 94 4.615 4.420 0.195 1 1 1028 . 15 1 1 A 116 116 ALA C C 94 177.230 177.122 0.108 1 1 1029 . 15 1 1 A 116 116 ALA CA C 94 51.966 53.605 -1.639 1 1 1030 . 15 1 1 A 116 116 ALA CB C 94 20.497 17.673 2.824 1 1 1031 . 15 1 1 A 116 116 ALA N N 94 125.566 119.861 5.705 1 1 1032 . 15 1 1 A 117 117 GLU H H 95 8.754 8.580 0.174 1 1 1033 . 15 1 1 A 117 117 GLU HA H 95 4.479 4.091 0.388 1 1 1038 . 15 1 1 A 117 117 GLU CA C 95 56.146 57.315 -1.169 1 1 1039 . 15 1 1 A 117 117 GLU CB C 95 30.856 28.832 2.024 1 1 11 . 16 1 1 A 24 24 PHE H H 2 8.940 8.184 0.756 1 1 12 . 16 1 1 A 24 24 PHE HA H 2 4.540 4.955 -0.415 1 1 17 . 16 1 1 A 24 24 PHE C C 2 173.640 175.473 -1.833 1 1 18 . 16 1 1 A 24 24 PHE CA C 2 58.262 57.715 0.547 1 1 19 . 16 1 1 A 24 24 PHE CB C 2 40.639 40.830 -0.191 1 1 20 . 16 1 1 A 24 24 PHE N N 2 121.410 123.998 -2.588 1 1 21 . 16 1 1 A 25 25 ARG H H 3 8.559 8.869 -0.310 1 1 22 . 16 1 1 A 25 25 ARG HA H 3 5.932 5.078 0.854 1 1 29 . 16 1 1 A 25 25 ARG C C 3 175.870 174.180 1.690 1 1 30 . 16 1 1 A 25 25 ARG CA C 3 53.965 55.161 -1.196 1 1 31 . 16 1 1 A 25 25 ARG CB C 3 34.959 33.771 1.188 1 1 34 . 16 1 1 A 25 25 ARG N N 3 123.288 121.048 2.240 1 1 35 . 16 1 1 A 26 26 SER H H 4 9.096 8.944 0.152 1 1 36 . 16 1 1 A 26 26 SER HA H 4 5.306 5.545 -0.239 1 1 39 . 16 1 1 A 26 26 SER C C 4 173.230 172.799 0.431 1 1 40 . 16 1 1 A 26 26 SER CA C 4 56.908 56.456 0.452 1 1 41 . 16 1 1 A 26 26 SER CB C 4 66.846 66.713 0.133 1 1 42 . 16 1 1 A 26 26 SER N N 4 120.152 119.432 0.720 1 1 43 . 16 1 1 A 27 27 THR H H 5 8.889 8.928 -0.039 1 1 44 . 16 1 1 A 27 27 THR HA H 5 6.172 5.557 0.615 1 1 49 . 16 1 1 A 27 27 THR C C 5 173.740 172.069 1.671 1 1 50 . 16 1 1 A 27 27 THR CA C 5 59.621 60.608 -0.987 1 1 51 . 16 1 1 A 27 27 THR CB C 5 75.444 71.523 3.921 1 1 53 . 16 1 1 A 27 27 THR N N 5 112.196 114.752 -2.556 1 1 54 . 16 1 1 A 28 28 SER H H 6 8.945 9.015 -0.070 1 1 55 . 16 1 1 A 28 28 SER HA H 6 4.643 5.462 -0.819 1 1 58 . 16 1 1 A 28 28 SER C C 6 173.400 173.221 0.179 1 1 59 . 16 1 1 A 28 28 SER CA C 6 57.727 57.081 0.646 1 1 60 . 16 1 1 A 28 28 SER CB C 6 65.115 64.362 0.753 1 1 61 . 16 1 1 A 28 28 SER N N 6 115.468 121.958 -6.490 1 1 62 . 16 1 1 A 29 29 HIS H H 7 8.713 8.909 -0.196 1 1 63 . 16 1 1 A 29 29 HIS HA H 7 5.046 5.919 -0.873 1 1 67 . 16 1 1 A 29 29 HIS C C 7 175.330 173.952 1.378 1 1 68 . 16 1 1 A 29 29 HIS CA C 7 55.507 53.786 1.721 1 1 69 . 16 1 1 A 29 29 HIS CB C 7 31.214 32.467 -1.253 1 1 70 . 16 1 1 A 29 29 HIS N N 7 130.131 122.091 8.040 1 1 71 . 16 1 1 A 30 30 VAL H H 8 9.318 8.693 0.625 1 1 72 . 16 1 1 A 30 30 VAL HA H 8 4.431 4.655 -0.224 1 1 80 . 16 1 1 A 30 30 VAL C C 8 175.620 174.741 0.879 1 1 81 . 16 1 1 A 30 30 VAL CA C 8 61.142 60.192 0.950 1 1 82 . 16 1 1 A 30 30 VAL CB C 8 33.063 35.595 -2.532 1 1 85 . 16 1 1 A 30 30 VAL N N 8 128.679 121.853 6.826 1 1 86 . 16 1 1 A 31 31 ARG H H 9 9.212 8.632 0.580 1 1 87 . 16 1 1 A 31 31 ARG HA H 9 4.517 5.035 -0.518 1 1 94 . 16 1 1 A 31 31 ARG C C 9 176.520 175.791 0.729 1 1 95 . 16 1 1 A 31 31 ARG CA C 9 57.458 55.249 2.209 1 1 96 . 16 1 1 A 31 31 ARG CB C 9 29.842 30.947 -1.105 1 1 99 . 16 1 1 A 31 31 ARG N N 9 128.640 125.640 3.000 1 1 100 . 16 1 1 A 32 32 THR H H 10 7.941 8.908 -0.967 1 1 101 . 16 1 1 A 32 32 THR HA H 10 4.627 5.025 -0.398 1 1 105 . 16 1 1 A 32 32 THR C C 10 172.560 172.779 -0.219 1 1 106 . 16 1 1 A 32 32 THR CA C 10 61.473 59.942 1.531 1 1 107 . 16 1 1 A 32 32 THR CB C 10 66.191 73.120 -6.929 1 1 109 . 16 1 1 A 32 32 THR N N 10 120.036 118.577 1.459 1 1 110 . 16 1 1 A 33 33 GLU H H 11 9.022 8.963 0.059 1 1 111 . 16 1 1 A 33 33 GLU HA H 11 4.731 4.927 -0.196 1 1 116 . 16 1 1 A 33 33 GLU C C 11 177.810 176.830 0.980 1 1 117 . 16 1 1 A 33 33 GLU CA C 11 57.466 55.372 2.094 1 1 118 . 16 1 1 A 33 33 GLU CB C 11 30.044 31.762 -1.718 1 1 120 . 16 1 1 A 33 33 GLU N N 11 126.859 123.425 3.434 1 1 121 . 16 1 1 A 34 34 SER H H 12 8.930 9.279 -0.349 1 1 122 . 16 1 1 A 34 34 SER HA H 12 4.795 4.102 0.693 1 1 125 . 16 1 1 A 34 34 SER C C 12 173.360 174.467 -1.107 1 1 126 . 16 1 1 A 34 34 SER CA C 12 56.842 58.988 -2.146 1 1 127 . 16 1 1 A 34 34 SER CB C 12 63.756 62.572 1.184 1 1 128 . 16 1 1 A 34 34 SER N N 12 119.717 118.689 1.028 1 1 129 . 16 1 1 A 35 35 ALA H H 13 8.756 7.726 1.030 1 1 130 . 16 1 1 A 35 35 ALA HA H 13 3.542 3.775 -0.233 1 1 134 . 16 1 1 A 35 35 ALA C C 13 178.560 179.023 -0.463 1 1 135 . 16 1 1 A 35 35 ALA CA C 13 56.288 55.057 1.231 1 1 136 . 16 1 1 A 35 35 ALA CB C 13 21.558 18.603 2.955 1 1 137 . 16 1 1 A 35 35 ALA N N 13 121.856 122.617 -0.761 1 1 138 . 16 1 1 A 36 36 ALA H H 14 8.442 8.193 0.249 1 1 139 . 16 1 1 A 36 36 ALA HA H 14 3.691 3.991 -0.300 1 1 143 . 16 1 1 A 36 36 ALA C C 14 179.900 179.748 0.152 1 1 144 . 16 1 1 A 36 36 ALA CA C 14 55.754 54.724 1.030 1 1 145 . 16 1 1 A 36 36 ALA CB C 14 17.368 18.352 -0.984 1 1 146 . 16 1 1 A 36 36 ALA N N 14 117.191 119.305 -2.114 1 1 147 . 16 1 1 A 37 37 ARG H H 15 7.513 7.411 0.102 1 1 148 . 16 1 1 A 37 37 ARG HA H 15 4.097 4.098 -0.001 1 1 155 . 16 1 1 A 37 37 ARG C C 15 178.720 178.512 0.208 1 1 156 . 16 1 1 A 37 37 ARG CA C 15 58.699 58.609 0.090 1 1 157 . 16 1 1 A 37 37 ARG CB C 15 30.024 29.681 0.343 1 1 160 . 16 1 1 A 37 37 ARG N N 15 118.952 118.951 0.001 1 1 161 . 16 1 1 A 38 38 TYR H H 16 7.632 7.876 -0.244 1 1 162 . 16 1 1 A 38 38 TYR HA H 16 4.433 4.362 0.071 1 1 166 . 16 1 1 A 38 38 TYR C C 16 178.110 178.396 -0.286 1 1 167 . 16 1 1 A 38 38 TYR CA C 16 58.473 60.977 -2.504 1 1 168 . 16 1 1 A 38 38 TYR CB C 16 36.286 38.046 -1.760 1 1 169 . 16 1 1 A 38 38 TYR N N 16 118.516 119.047 -0.531 1 1 170 . 16 1 1 A 39 39 VAL H H 17 8.680 7.479 1.201 1 1 171 . 16 1 1 A 39 39 VAL HA H 17 3.491 3.848 -0.357 1 1 179 . 16 1 1 A 39 39 VAL C C 17 177.450 178.102 -0.652 1 1 180 . 16 1 1 A 39 39 VAL CA C 17 68.093 66.022 2.071 1 1 181 . 16 1 1 A 39 39 VAL CB C 17 31.943 31.952 -0.009 1 1 184 . 16 1 1 A 39 39 VAL N N 17 119.126 120.664 -1.538 1 1 185 . 16 1 1 A 40 40 ASN H H 18 7.813 7.945 -0.132 1 1 186 . 16 1 1 A 40 40 ASN HA H 18 4.280 4.524 -0.244 1 1 189 . 16 1 1 A 40 40 ASN C C 18 177.190 178.012 -0.822 1 1 190 . 16 1 1 A 40 40 ASN CA C 18 57.525 56.489 1.036 1 1 191 . 16 1 1 A 40 40 ASN CB C 18 39.474 37.870 1.604 1 1 192 . 16 1 1 A 40 40 ASN N N 18 118.013 117.749 0.264 1 1 193 . 16 1 1 A 41 41 ARG H H 19 8.425 7.670 0.755 1 1 194 . 16 1 1 A 41 41 ARG HA H 19 4.010 4.242 -0.232 1 1 201 . 16 1 1 A 41 41 ARG C C 19 180.050 179.250 0.800 1 1 202 . 16 1 1 A 41 41 ARG CA C 19 59.734 58.492 1.242 1 1 203 . 16 1 1 A 41 41 ARG CB C 19 30.877 30.310 0.567 1 1 206 . 16 1 1 A 41 41 ARG N N 19 116.687 120.327 -3.640 1 1 207 . 16 1 1 A 42 42 LEU H H 20 8.731 8.012 0.719 1 1 208 . 16 1 1 A 42 42 LEU HA H 20 3.904 4.181 -0.277 1 1 218 . 16 1 1 A 42 42 LEU C C 20 178.690 178.814 -0.124 1 1 219 . 16 1 1 A 42 42 LEU CA C 20 58.238 57.973 0.265 1 1 220 . 16 1 1 A 42 42 LEU CB C 20 41.659 41.780 -0.121 1 1 224 . 16 1 1 A 42 42 LEU N N 20 120.849 120.020 0.829 1 1 225 . 16 1 1 A 43 43 CYS H H 21 8.241 8.609 -0.368 1 1 226 . 16 1 1 A 43 43 CYS HA H 21 4.268 4.195 0.073 1 1 229 . 16 1 1 A 43 43 CYS C C 21 177.530 177.212 0.318 1 1 230 . 16 1 1 A 43 43 CYS CA C 21 65.374 62.606 2.768 1 1 231 . 16 1 1 A 43 43 CYS CB C 21 27.962 27.497 0.465 1 1 232 . 16 1 1 A 43 43 CYS N N 21 115.952 117.546 -1.594 1 1 233 . 16 1 1 A 44 44 LYS H H 22 8.364 8.091 0.273 1 1 234 . 16 1 1 A 44 44 LYS HA H 22 4.091 4.274 -0.183 1 1 243 . 16 1 1 A 44 44 LYS C C 22 179.020 178.788 0.232 1 1 244 . 16 1 1 A 44 44 LYS CA C 22 59.004 57.910 1.094 1 1 245 . 16 1 1 A 44 44 LYS CB C 22 31.921 32.583 -0.662 1 1 249 . 16 1 1 A 44 44 LYS N N 22 119.823 120.318 -0.495 1 1 250 . 16 1 1 A 45 45 HIS H H 23 8.036 8.483 -0.447 1 1 251 . 16 1 1 A 45 45 HIS HA H 23 4.408 4.170 0.238 1 1 255 . 16 1 1 A 45 45 HIS C C 23 177.870 176.926 0.944 1 1 256 . 16 1 1 A 45 45 HIS CA C 23 60.404 59.396 1.008 1 1 257 . 16 1 1 A 45 45 HIS CB C 23 30.954 30.736 0.218 1 1 258 . 16 1 1 A 45 45 HIS N N 23 118.729 120.960 -2.231 1 1 259 . 16 1 1 A 46 46 TRP H H 24 8.426 8.821 -0.395 1 1 260 . 16 1 1 A 46 46 TRP HA H 24 4.903 4.604 0.299 1 1 265 . 16 1 1 A 46 46 TRP C C 24 177.900 177.783 0.117 1 1 266 . 16 1 1 A 46 46 TRP CA C 24 58.973 59.230 -0.257 1 1 267 . 16 1 1 A 46 46 TRP CB C 24 29.328 29.416 -0.088 1 1 268 . 16 1 1 A 46 46 TRP N N 24 117.297 116.340 0.957 1 1 270 . 16 1 1 A 47 47 GLY H H 25 8.254 8.200 0.054 1 1 271 . 16 1 1 A 47 47 GLY HA2 H 25 4.362 4.089 0.273 1 1 272 . 16 1 1 A 47 47 GLY HA3 H 25 3.936 4.148 -0.212 1 1 273 . 16 1 1 A 47 47 GLY CA C 25 46.812 47.456 -0.644 1 1 274 . 16 1 1 A 47 47 GLY N N 25 108.683 108.612 0.071 1 1 275 . 16 1 1 A 48 48 HIS C C 26 176.030 175.304 0.726 1 1 276 . 16 1 1 A 48 48 HIS CA C 26 58.358 57.319 1.039 1 1 277 . 16 1 1 A 48 48 HIS CB C 26 30.438 32.063 -1.625 1 1 278 . 16 1 1 A 49 49 LYS H H 27 7.544 7.968 -0.424 1 1 279 . 16 1 1 A 49 49 LYS HA H 27 4.236 4.343 -0.107 1 1 288 . 16 1 1 A 49 49 LYS C C 27 174.880 174.437 0.443 1 1 289 . 16 1 1 A 49 49 LYS CA C 27 56.572 55.278 1.294 1 1 290 . 16 1 1 A 49 49 LYS CB C 27 35.793 33.864 1.929 1 1 294 . 16 1 1 A 49 49 LYS N N 27 117.278 119.883 -2.605 1 1 295 . 16 1 1 A 50 50 PHE H H 28 8.178 7.692 0.486 1 1 296 . 16 1 1 A 50 50 PHE HA H 28 5.016 5.114 -0.098 1 1 301 . 16 1 1 A 50 50 PHE C C 28 174.190 175.169 -0.979 1 1 302 . 16 1 1 A 50 50 PHE CA C 28 55.756 56.247 -0.491 1 1 303 . 16 1 1 A 50 50 PHE CB C 28 41.140 43.294 -2.154 1 1 304 . 16 1 1 A 50 50 PHE N N 28 118.846 119.109 -0.263 1 1 305 . 16 1 1 A 51 51 GLU H H 29 7.812 8.520 -0.708 1 1 306 . 16 1 1 A 51 51 GLU HA H 29 4.449 4.478 -0.029 1 1 311 . 16 1 1 A 51 51 GLU C C 29 175.570 176.206 -0.636 1 1 312 . 16 1 1 A 51 51 GLU CA C 29 56.852 56.532 0.320 1 1 313 . 16 1 1 A 51 51 GLU CB C 29 30.207 29.879 0.328 1 1 315 . 16 1 1 A 51 51 GLU N N 29 120.355 121.208 -0.853 1 1 316 . 16 1 1 A 52 52 VAL H H 30 8.395 9.015 -0.620 1 1 317 . 16 1 1 A 52 52 VAL HA H 30 5.383 5.507 -0.124 1 1 325 . 16 1 1 A 52 52 VAL C C 30 175.850 174.375 1.475 1 1 326 . 16 1 1 A 52 52 VAL CA C 30 59.969 60.272 -0.303 1 1 327 . 16 1 1 A 52 52 VAL CB C 30 36.173 34.414 1.759 1 1 330 . 16 1 1 A 52 52 VAL N N 30 124.120 121.040 3.080 1 1 331 . 16 1 1 A 53 53 GLU H H 31 9.289 9.531 -0.242 1 1 332 . 16 1 1 A 53 53 GLU HA H 31 4.717 4.861 -0.144 1 1 337 . 16 1 1 A 53 53 GLU C C 31 174.370 175.255 -0.885 1 1 338 . 16 1 1 A 53 53 GLU CA C 31 55.415 56.103 -0.688 1 1 339 . 16 1 1 A 53 53 GLU CB C 31 33.211 31.784 1.427 1 1 341 . 16 1 1 A 53 53 GLU N N 31 126.346 127.805 -1.459 1 1 342 . 16 1 1 A 54 54 LEU H H 32 8.763 8.663 0.100 1 1 343 . 16 1 1 A 54 54 LEU HA H 32 5.375 4.998 0.377 1 1 353 . 16 1 1 A 54 54 LEU C C 32 175.100 175.154 -0.054 1 1 354 . 16 1 1 A 54 54 LEU CA C 32 55.010 54.453 0.557 1 1 355 . 16 1 1 A 54 54 LEU CB C 32 45.485 45.489 -0.004 1 1 359 . 16 1 1 A 54 54 LEU N N 32 126.898 123.742 3.156 1 1 360 . 16 1 1 A 55 55 THR H H 33 9.159 8.391 0.768 1 1 361 . 16 1 1 A 55 55 THR HA H 33 4.886 5.067 -0.181 1 1 366 . 16 1 1 A 55 55 THR CA C 33 59.489 58.408 1.081 1 1 367 . 16 1 1 A 55 55 THR CB C 33 69.241 70.080 -0.839 1 1 369 . 16 1 1 A 55 55 THR N N 33 121.246 117.147 4.099 1 1 370 . 16 1 1 A 56 56 PRO HA H 34 4.269 4.616 -0.347 1 1 377 . 16 1 1 A 56 56 PRO C C 34 177.750 175.498 2.252 1 1 378 . 16 1 1 A 56 56 PRO CA C 34 65.968 62.794 3.174 1 1 379 . 16 1 1 A 56 56 PRO CB C 34 31.786 29.519 2.267 1 1 382 . 16 1 1 A 57 57 GLU H H 35 8.148 8.799 -0.651 1 1 383 . 16 1 1 A 57 57 GLU HA H 35 4.351 4.527 -0.176 1 1 388 . 16 1 1 A 57 57 GLU C C 35 175.720 175.785 -0.065 1 1 389 . 16 1 1 A 57 57 GLU CA C 35 57.085 56.775 0.310 1 1 390 . 16 1 1 A 57 57 GLU CB C 35 30.299 32.255 -1.956 1 1 392 . 16 1 1 A 57 57 GLU N N 35 112.303 120.426 -8.123 1 1 393 . 16 1 1 A 58 58 ARG H H 36 7.777 7.517 0.260 1 1 394 . 16 1 1 A 58 58 ARG HA H 36 5.418 5.287 0.131 1 1 401 . 16 1 1 A 58 58 ARG C C 36 173.610 173.692 -0.082 1 1 402 . 16 1 1 A 58 58 ARG CA C 36 55.576 55.000 0.576 1 1 403 . 16 1 1 A 58 58 ARG CB C 36 33.324 32.614 0.710 1 1 406 . 16 1 1 A 58 58 ARG N N 36 122.018 114.691 7.327 1 1 407 . 16 1 1 A 59 59 GLY H H 37 9.650 8.535 1.115 1 1 408 . 16 1 1 A 59 59 GLY HA2 H 37 5.484 4.323 1.161 1 1 409 . 16 1 1 A 59 59 GLY HA3 H 37 3.554 4.343 -0.789 1 1 410 . 16 1 1 A 59 59 GLY C C 37 171.630 172.032 -0.402 1 1 411 . 16 1 1 A 59 59 GLY CA C 37 44.563 44.109 0.454 1 1 412 . 16 1 1 A 59 59 GLY N N 37 113.745 106.853 6.892 1 1 413 . 16 1 1 A 60 60 PHE H H 38 9.138 8.573 0.565 1 1 414 . 16 1 1 A 60 60 PHE HA H 38 5.472 5.241 0.231 1 1 419 . 16 1 1 A 60 60 PHE C C 38 173.180 173.833 -0.653 1 1 420 . 16 1 1 A 60 60 PHE CA C 38 57.234 56.129 1.105 1 1 421 . 16 1 1 A 60 60 PHE CB C 38 43.107 42.370 0.737 1 1 422 . 16 1 1 A 60 60 PHE N N 38 124.144 122.865 1.279 1 1 423 . 16 1 1 A 61 61 ILE H H 39 8.618 8.446 0.172 1 1 424 . 16 1 1 A 61 61 ILE HA H 39 4.226 4.881 -0.655 1 1 434 . 16 1 1 A 61 61 ILE C C 39 172.950 173.957 -1.007 1 1 435 . 16 1 1 A 61 61 ILE CA C 39 60.357 60.486 -0.129 1 1 436 . 16 1 1 A 61 61 ILE CB C 39 41.488 39.797 1.691 1 1 440 . 16 1 1 A 61 61 ILE N N 39 126.753 127.308 -0.555 1 1 441 . 16 1 1 A 62 62 ASP H H 40 8.192 8.100 0.092 1 1 442 . 16 1 1 A 62 62 ASP HA H 40 4.464 5.287 -0.823 1 1 445 . 16 1 1 A 62 62 ASP C C 40 176.240 176.502 -0.262 1 1 446 . 16 1 1 A 62 62 ASP CA C 40 52.208 52.216 -0.008 1 1 447 . 16 1 1 A 62 62 ASP CB C 40 41.489 42.655 -1.166 1 1 448 . 16 1 1 A 62 62 ASP N N 40 124.314 128.230 -3.916 1 1 449 . 16 1 1 A 63 63 PHE H H 41 8.165 8.799 -0.634 1 1 450 . 16 1 1 A 63 63 PHE HA H 41 4.007 4.783 -0.776 1 1 454 . 16 1 1 A 63 63 PHE C C 41 175.640 175.810 -0.170 1 1 455 . 16 1 1 A 63 63 PHE CA C 41 58.407 57.885 0.522 1 1 456 . 16 1 1 A 63 63 PHE CB C 41 38.486 39.331 -0.845 1 1 457 . 16 1 1 A 63 63 PHE N N 41 123.395 121.337 2.058 1 1 458 . 16 1 1 A 64 64 GLY H H 42 9.003 8.063 0.940 1 1 459 . 16 1 1 A 64 64 GLY HA2 H 42 4.675 4.035 0.640 1 1 460 . 16 1 1 A 64 64 GLY HA3 H 42 3.484 4.049 -0.565 1 1 461 . 16 1 1 A 64 64 GLY CA C 42 45.938 46.545 -0.607 1 1 462 . 16 1 1 A 64 64 GLY N N 42 112.196 107.870 4.326 1 1 463 . 16 1 1 A 65 65 ASP HA H 43 4.675 4.754 -0.079 1 1 466 . 16 1 1 A 65 65 ASP C C 43 176.170 174.735 1.435 1 1 467 . 16 1 1 A 65 65 ASP CA C 43 55.415 53.268 2.147 1 1 468 . 16 1 1 A 65 65 ASP CB C 43 41.379 38.963 2.416 1 1 469 . 16 1 1 A 66 66 SER H H 44 7.743 7.646 0.097 1 1 470 . 16 1 1 A 66 66 SER HA H 44 5.292 5.096 0.196 1 1 473 . 16 1 1 A 66 66 SER C C 44 172.190 172.304 -0.114 1 1 474 . 16 1 1 A 66 66 SER CA C 44 57.890 57.532 0.358 1 1 475 . 16 1 1 A 66 66 SER CB C 44 66.054 65.557 0.497 1 1 476 . 16 1 1 A 66 66 SER N N 44 112.796 113.806 -1.010 1 1 477 . 16 1 1 A 67 67 ASN H H 45 9.075 8.913 0.162 1 1 478 . 16 1 1 A 67 67 ASN HA H 45 5.126 5.159 -0.033 1 1 481 . 16 1 1 A 67 67 ASN C C 45 172.300 173.735 -1.435 1 1 482 . 16 1 1 A 67 67 ASN CA C 45 52.997 51.863 1.134 1 1 483 . 16 1 1 A 67 67 ASN CB C 45 42.047 43.643 -1.596 1 1 484 . 16 1 1 A 67 67 ASN N N 45 114.955 117.074 -2.119 1 1 485 . 16 1 1 A 68 68 CYS H H 46 8.757 8.238 0.519 1 1 486 . 16 1 1 A 68 68 CYS HA H 46 5.652 4.871 0.781 1 1 489 . 16 1 1 A 68 68 CYS C C 46 170.650 172.804 -2.154 1 1 490 . 16 1 1 A 68 68 CYS CA C 46 56.668 58.257 -1.589 1 1 491 . 16 1 1 A 68 68 CYS CB C 46 31.195 29.181 2.014 1 1 492 . 16 1 1 A 68 68 CYS N N 46 119.184 118.419 0.765 1 1 493 . 16 1 1 A 69 69 GLU H H 47 9.587 9.335 0.252 1 1 494 . 16 1 1 A 69 69 GLU HA H 47 5.283 5.609 -0.326 1 1 499 . 16 1 1 A 69 69 GLU C C 47 174.190 175.183 -0.993 1 1 500 . 16 1 1 A 69 69 GLU CA C 47 54.401 55.362 -0.961 1 1 501 . 16 1 1 A 69 69 GLU CB C 47 33.607 32.581 1.026 1 1 503 . 16 1 1 A 69 69 GLU N N 47 131.612 128.809 2.803 1 1 504 . 16 1 1 A 70 70 LEU H H 48 9.523 8.629 0.894 1 1 505 . 16 1 1 A 70 70 LEU HA H 48 5.314 5.293 0.021 1 1 515 . 16 1 1 A 70 70 LEU C C 48 174.730 175.042 -0.312 1 1 516 . 16 1 1 A 70 70 LEU CA C 48 53.570 53.230 0.340 1 1 517 . 16 1 1 A 70 70 LEU CB C 48 46.109 45.043 1.066 1 1 521 . 16 1 1 A 70 70 LEU N N 48 125.069 121.802 3.267 1 1 522 . 16 1 1 A 71 71 LEU H H 49 9.493 9.498 -0.005 1 1 523 . 16 1 1 A 71 71 LEU HA H 49 5.001 5.289 -0.288 1 1 533 . 16 1 1 A 71 71 LEU C C 49 175.310 174.936 0.374 1 1 534 . 16 1 1 A 71 71 LEU CA C 49 53.809 53.943 -0.134 1 1 535 . 16 1 1 A 71 71 LEU CB C 49 42.880 44.136 -1.256 1 1 539 . 16 1 1 A 71 71 LEU N N 49 123.714 126.157 -2.443 1 1 540 . 16 1 1 A 72 72 ALA H H 50 8.255 8.884 -0.629 1 1 541 . 16 1 1 A 72 72 ALA HA H 50 4.307 5.037 -0.730 1 1 545 . 16 1 1 A 72 72 ALA C C 50 174.800 175.443 -0.643 1 1 546 . 16 1 1 A 72 72 ALA CA C 50 51.618 51.102 0.516 1 1 547 . 16 1 1 A 72 72 ALA CB C 50 18.634 21.230 -2.596 1 1 548 . 16 1 1 A 72 72 ALA N N 50 125.398 129.252 -3.854 1 1 549 . 16 1 1 A 73 73 HIS H H 51 8.053 9.461 -1.408 1 1 550 . 16 1 1 A 73 73 HIS HA H 51 4.953 4.966 -0.013 1 1 554 . 16 1 1 A 73 73 HIS CA C 51 54.682 53.950 0.732 1 1 555 . 16 1 1 A 73 73 HIS CB C 51 31.150 32.545 -1.395 1 1 556 . 16 1 1 A 73 73 HIS N N 51 123.172 123.864 -0.692 1 1 557 . 16 1 1 A 74 74 PRO HA H 52 4.385 4.068 0.317 1 1 564 . 16 1 1 A 74 74 PRO C C 52 176.370 176.868 -0.498 1 1 565 . 16 1 1 A 74 74 PRO CA C 52 65.625 65.092 0.533 1 1 566 . 16 1 1 A 74 74 PRO CB C 52 32.014 31.774 0.240 1 1 569 . 16 1 1 A 75 75 ASP H H 53 8.303 8.356 -0.053 1 1 570 . 16 1 1 A 75 75 ASP HA H 53 4.955 5.228 -0.273 1 1 573 . 16 1 1 A 75 75 ASP C C 53 177.380 175.222 2.158 1 1 574 . 16 1 1 A 75 75 ASP CA C 53 52.034 53.512 -1.478 1 1 575 . 16 1 1 A 75 75 ASP CB C 53 41.826 42.651 -0.825 1 1 576 . 16 1 1 A 75 75 ASP N N 53 109.961 114.329 -4.368 1 1 577 . 16 1 1 A 76 76 HIS H H 54 7.379 7.515 -0.136 1 1 578 . 16 1 1 A 76 76 HIS HA H 54 5.421 5.432 -0.011 1 1 582 . 16 1 1 A 76 76 HIS C C 54 172.470 172.922 -0.452 1 1 583 . 16 1 1 A 76 76 HIS CA C 54 56.943 54.253 2.690 1 1 584 . 16 1 1 A 76 76 HIS CB C 54 29.909 33.697 -3.788 1 1 585 . 16 1 1 A 76 76 HIS N N 54 114.752 114.720 0.032 1 1 586 . 16 1 1 A 77 77 VAL H H 55 8.933 8.538 0.395 1 1 587 . 16 1 1 A 77 77 VAL HA H 55 4.837 5.117 -0.280 1 1 595 . 16 1 1 A 77 77 VAL C C 55 173.420 173.959 -0.539 1 1 596 . 16 1 1 A 77 77 VAL CA C 55 59.429 59.896 -0.467 1 1 597 . 16 1 1 A 77 77 VAL CB C 55 35.121 35.602 -0.481 1 1 600 . 16 1 1 A 77 77 VAL N N 55 117.287 119.839 -2.552 1 1 601 . 16 1 1 A 78 78 LEU H H 56 9.004 9.611 -0.607 1 1 602 . 16 1 1 A 78 78 LEU HA H 56 5.466 5.435 0.031 1 1 612 . 16 1 1 A 78 78 LEU C C 56 175.140 175.519 -0.379 1 1 613 . 16 1 1 A 78 78 LEU CA C 56 53.084 53.988 -0.904 1 1 614 . 16 1 1 A 78 78 LEU CB C 56 44.499 45.303 -0.804 1 1 618 . 16 1 1 A 78 78 LEU N N 56 130.334 128.361 1.973 1 1 619 . 16 1 1 A 79 79 MET H H 57 9.381 8.755 0.626 1 1 620 . 16 1 1 A 79 79 MET HA H 57 5.678 5.248 0.430 1 1 625 . 16 1 1 A 79 79 MET C C 57 175.160 174.603 0.557 1 1 626 . 16 1 1 A 79 79 MET CA C 57 54.216 54.390 -0.174 1 1 627 . 16 1 1 A 79 79 MET CB C 57 37.309 35.125 2.184 1 1 629 . 16 1 1 A 79 79 MET N N 57 124.304 122.265 2.039 1 1 630 . 16 1 1 A 80 80 ILE H H 58 9.552 8.884 0.668 1 1 631 . 16 1 1 A 80 80 ILE HA H 58 4.957 5.126 -0.169 1 1 641 . 16 1 1 A 80 80 ILE C C 58 175.160 175.514 -0.354 1 1 642 . 16 1 1 A 80 80 ILE CA C 58 61.338 60.018 1.320 1 1 643 . 16 1 1 A 80 80 ILE CB C 58 41.092 41.597 -0.505 1 1 647 . 16 1 1 A 80 80 ILE N N 58 122.359 124.415 -2.056 1 1 648 . 16 1 1 A 81 81 LEU H H 59 9.549 9.108 0.441 1 1 649 . 16 1 1 A 81 81 LEU HA H 59 5.274 5.168 0.106 1 1 659 . 16 1 1 A 81 81 LEU C C 59 174.280 175.342 -1.062 1 1 660 . 16 1 1 A 81 81 LEU CA C 59 53.621 52.608 1.013 1 1 661 . 16 1 1 A 81 81 LEU CB C 59 46.837 45.199 1.638 1 1 665 . 16 1 1 A 81 81 LEU N N 59 131.901 124.664 7.237 1 1 666 . 16 1 1 A 82 82 ASN H H 60 8.516 8.416 0.100 1 1 667 . 16 1 1 A 82 82 ASN HA H 60 5.851 5.445 0.406 1 1 670 . 16 1 1 A 82 82 ASN C C 60 174.840 174.081 0.759 1 1 671 . 16 1 1 A 82 82 ASN CA C 60 52.549 51.977 0.572 1 1 672 . 16 1 1 A 82 82 ASN CB C 60 43.188 39.640 3.548 1 1 673 . 16 1 1 A 82 82 ASN N N 60 120.142 118.968 1.174 1 1 674 . 16 1 1 A 83 83 SER H H 61 9.176 8.367 0.809 1 1 675 . 16 1 1 A 83 83 SER HA H 61 5.295 4.855 0.440 1 1 678 . 16 1 1 A 83 83 SER CA C 61 57.388 55.665 1.723 1 1 679 . 16 1 1 A 83 83 SER CB C 61 68.052 66.206 1.846 1 1 680 . 16 1 1 A 83 83 SER N N 61 116.871 119.451 -2.580 1 1 681 . 16 1 1 A 84 84 PRO HA H 62 4.907 4.021 0.886 1 1 688 . 16 1 1 A 84 84 PRO C C 62 175.210 175.771 -0.561 1 1 689 . 16 1 1 A 84 84 PRO CA C 62 64.539 63.664 0.875 1 1 690 . 16 1 1 A 84 84 PRO CB C 62 32.726 31.746 0.980 1 1 693 . 16 1 1 A 85 85 ASP H H 63 7.228 7.654 -0.426 1 1 694 . 16 1 1 A 85 85 ASP HA H 63 4.630 5.430 -0.800 1 1 697 . 16 1 1 A 85 85 ASP C C 63 174.540 176.127 -1.587 1 1 698 . 16 1 1 A 85 85 ASP CA C 63 53.119 52.714 0.405 1 1 699 . 16 1 1 A 85 85 ASP CB C 63 42.880 44.627 -1.747 1 1 700 . 16 1 1 A 85 85 ASP N N 63 112.313 118.445 -6.132 1 1 701 . 16 1 1 A 86 86 GLU H H 64 8.761 9.470 -0.709 1 1 702 . 16 1 1 A 86 86 GLU HA H 64 3.321 4.118 -0.797 1 1 707 . 16 1 1 A 86 86 GLU C C 64 178.440 178.593 -0.153 1 1 708 . 16 1 1 A 86 86 GLU CA C 64 59.937 59.726 0.211 1 1 709 . 16 1 1 A 86 86 GLU CB C 64 29.707 29.663 0.044 1 1 711 . 16 1 1 A 86 86 GLU N N 64 120.055 122.818 -2.763 1 1 712 . 16 1 1 A 87 87 ASP H H 65 8.332 8.386 -0.054 1 1 713 . 16 1 1 A 87 87 ASP HA H 65 4.414 4.324 0.090 1 1 716 . 16 1 1 A 87 87 ASP C C 65 179.400 178.534 0.866 1 1 717 . 16 1 1 A 87 87 ASP CA C 65 57.203 57.712 -0.509 1 1 718 . 16 1 1 A 87 87 ASP CB C 65 40.323 41.198 -0.875 1 1 719 . 16 1 1 A 87 87 ASP N N 65 121.933 120.477 1.456 1 1 720 . 16 1 1 A 88 88 SER H H 66 8.949 8.141 0.808 1 1 721 . 16 1 1 A 88 88 SER HA H 66 4.169 4.224 -0.055 1 1 724 . 16 1 1 A 88 88 SER C C 66 176.110 176.198 -0.088 1 1 725 . 16 1 1 A 88 88 SER CA C 66 62.032 62.401 -0.369 1 1 726 . 16 1 1 A 88 88 SER CB C 66 62.178 63.086 -0.908 1 1 727 . 16 1 1 A 88 88 SER N N 66 119.726 116.603 3.123 1 1 728 . 16 1 1 A 89 89 LEU H H 67 7.737 8.733 -0.996 1 1 729 . 16 1 1 A 89 89 LEU HA H 67 4.017 4.397 -0.380 1 1 739 . 16 1 1 A 89 89 LEU C C 67 177.790 178.127 -0.337 1 1 740 . 16 1 1 A 89 89 LEU CA C 67 57.958 58.369 -0.411 1 1 741 . 16 1 1 A 89 89 LEU CB C 67 42.394 42.267 0.127 1 1 745 . 16 1 1 A 89 89 LEU N N 67 122.942 122.741 0.201 1 1 746 . 16 1 1 A 90 90 ALA H H 68 7.483 9.472 -1.989 1 1 747 . 16 1 1 A 90 90 ALA HA H 68 3.780 4.008 -0.228 1 1 751 . 16 1 1 A 90 90 ALA C C 68 180.410 179.418 0.992 1 1 752 . 16 1 1 A 90 90 ALA CA C 68 54.782 54.673 0.109 1 1 753 . 16 1 1 A 90 90 ALA CB C 68 17.857 18.387 -0.530 1 1 754 . 16 1 1 A 90 90 ALA N N 68 119.446 120.252 -0.806 1 1 755 . 16 1 1 A 91 91 HIS H H 69 7.707 8.136 -0.429 1 1 756 . 16 1 1 A 91 91 HIS HA H 69 4.377 4.004 0.373 1 1 760 . 16 1 1 A 91 91 HIS C C 69 177.865 176.933 0.932 1 1 761 . 16 1 1 A 91 91 HIS CA C 69 59.518 59.520 -0.002 1 1 762 . 16 1 1 A 91 91 HIS CB C 69 30.954 29.596 1.358 1 1 763 . 16 1 1 A 91 91 HIS N N 69 116.881 117.523 -0.642 1 1 764 . 16 1 1 A 92 92 MET H H 70 8.467 7.892 0.575 1 1 765 . 16 1 1 A 92 92 MET HA H 70 4.087 3.837 0.250 1 1 770 . 16 1 1 A 92 92 MET C C 70 178.390 177.964 0.426 1 1 771 . 16 1 1 A 92 92 MET CA C 70 55.584 58.599 -3.015 1 1 772 . 16 1 1 A 92 92 MET CB C 70 29.773 33.386 -3.613 1 1 774 . 16 1 1 A 92 92 MET N N 70 116.968 117.512 -0.544 1 1 775 . 16 1 1 A 93 93 GLN H H 71 8.309 8.055 0.254 1 1 776 . 16 1 1 A 93 93 GLN HA H 71 2.874 3.961 -1.087 1 1 781 . 16 1 1 A 93 93 GLN C C 71 178.420 178.136 0.284 1 1 782 . 16 1 1 A 93 93 GLN CA C 71 58.852 58.483 0.369 1 1 783 . 16 1 1 A 93 93 GLN CB C 71 27.658 27.968 -0.310 1 1 785 . 16 1 1 A 93 93 GLN N N 71 120.665 117.251 3.414 1 1 786 . 16 1 1 A 94 94 ASN H H 72 6.899 8.071 -1.172 1 1 787 . 16 1 1 A 94 94 ASN HA H 72 4.596 4.373 0.223 1 1 790 . 16 1 1 A 94 94 ASN C C 72 177.380 177.407 -0.027 1 1 791 . 16 1 1 A 94 94 ASN CA C 72 56.037 55.788 0.249 1 1 792 . 16 1 1 A 94 94 ASN CB C 72 38.219 38.701 -0.482 1 1 793 . 16 1 1 A 94 94 ASN N N 72 116.271 118.759 -2.488 1 1 794 . 16 1 1 A 95 95 VAL H H 73 8.050 7.574 0.476 1 1 795 . 16 1 1 A 95 95 VAL HA H 73 3.983 3.456 0.527 1 1 803 . 16 1 1 A 95 95 VAL C C 73 180.050 178.131 1.919 1 1 804 . 16 1 1 A 95 95 VAL CA C 73 66.515 65.928 0.587 1 1 805 . 16 1 1 A 95 95 VAL CB C 73 32.587 31.230 1.357 1 1 808 . 16 1 1 A 95 95 VAL N N 73 121.798 119.069 2.729 1 1 809 . 16 1 1 A 96 96 VAL H H 74 9.082 7.645 1.437 1 1 810 . 16 1 1 A 96 96 VAL HA H 74 3.986 2.797 1.189 1 1 818 . 16 1 1 A 96 96 VAL C C 74 177.490 177.883 -0.393 1 1 819 . 16 1 1 A 96 96 VAL CA C 74 67.947 65.965 1.982 1 1 820 . 16 1 1 A 96 96 VAL CB C 74 31.966 31.265 0.701 1 1 823 . 16 1 1 A 96 96 VAL N N 74 120.549 120.522 0.027 1 1 824 . 16 1 1 A 97 97 ALA H H 75 8.285 7.715 0.570 1 1 825 . 16 1 1 A 97 97 ALA HA H 75 4.108 3.921 0.187 1 1 829 . 16 1 1 A 97 97 ALA C C 75 179.320 179.229 0.091 1 1 830 . 16 1 1 A 97 97 ALA CA C 75 56.117 54.881 1.236 1 1 831 . 16 1 1 A 97 97 ALA CB C 75 19.867 18.442 1.425 1 1 832 . 16 1 1 A 97 97 ALA N N 75 120.375 121.624 -1.249 1 1 833 . 16 1 1 A 98 98 ASP H H 76 8.522 7.606 0.916 1 1 834 . 16 1 1 A 98 98 ASP HA H 76 4.356 4.368 -0.012 1 1 837 . 16 1 1 A 98 98 ASP C C 76 179.100 178.733 0.367 1 1 838 . 16 1 1 A 98 98 ASP CA C 76 57.252 57.445 -0.193 1 1 839 . 16 1 1 A 98 98 ASP CB C 76 41.335 41.096 0.239 1 1 840 . 16 1 1 A 98 98 ASP N N 76 116.871 118.712 -1.841 1 1 841 . 16 1 1 A 99 99 HIS H H 77 8.162 7.699 0.463 1 1 842 . 16 1 1 A 99 99 HIS HA H 77 3.847 4.332 -0.485 1 1 846 . 16 1 1 A 99 99 HIS C C 77 177.440 178.045 -0.605 1 1 847 . 16 1 1 A 99 99 HIS CA C 77 61.636 59.201 2.435 1 1 848 . 16 1 1 A 99 99 HIS CB C 77 29.328 29.755 -0.427 1 1 849 . 16 1 1 A 99 99 HIS N N 77 116.758 118.574 -1.816 1 1 850 . 16 1 1 A 100 100 LEU H H 78 8.718 8.214 0.504 1 1 851 . 16 1 1 A 100 100 LEU HA H 78 3.862 3.935 -0.073 1 1 861 . 16 1 1 A 100 100 LEU C C 78 177.720 179.314 -1.594 1 1 862 . 16 1 1 A 100 100 LEU CA C 78 58.746 57.420 1.326 1 1 863 . 16 1 1 A 100 100 LEU CB C 78 40.324 41.164 -0.840 1 1 867 . 16 1 1 A 100 100 LEU N N 78 120.332 119.001 1.331 1 1 868 . 16 1 1 A 101 101 GLN H H 79 8.167 8.048 0.119 1 1 869 . 16 1 1 A 101 101 GLN HA H 79 3.973 3.941 0.032 1 1 874 . 16 1 1 A 101 101 GLN C C 79 178.990 178.693 0.297 1 1 875 . 16 1 1 A 101 101 GLN CA C 79 58.359 59.135 -0.776 1 1 876 . 16 1 1 A 101 101 GLN CB C 79 29.575 28.730 0.845 1 1 878 . 16 1 1 A 101 101 GLN N N 79 115.715 119.612 -3.897 1 1 879 . 16 1 1 A 102 102 ARG H H 80 7.835 7.717 0.118 1 1 880 . 16 1 1 A 102 102 ARG HA H 80 3.990 4.094 -0.104 1 1 887 . 16 1 1 A 102 102 ARG C C 80 178.540 178.238 0.302 1 1 888 . 16 1 1 A 102 102 ARG CA C 80 58.789 59.242 -0.453 1 1 889 . 16 1 1 A 102 102 ARG CB C 80 30.218 29.898 0.320 1 1 892 . 16 1 1 A 102 102 ARG N N 80 118.207 119.298 -1.091 1 1 893 . 16 1 1 A 103 103 MET H H 81 7.645 7.949 -0.304 1 1 894 . 16 1 1 A 103 103 MET HA H 81 4.353 4.190 0.163 1 1 899 . 16 1 1 A 103 103 MET C C 81 176.300 176.088 0.212 1 1 900 . 16 1 1 A 103 103 MET CA C 81 55.646 56.676 -1.030 1 1 901 . 16 1 1 A 103 103 MET CB C 81 32.620 31.992 0.628 1 1 903 . 16 1 1 A 103 103 MET N N 81 116.250 116.145 0.105 1 1 904 . 16 1 1 A 104 104 ALA H H 82 7.324 7.742 -0.418 1 1 905 . 16 1 1 A 104 104 ALA HA H 82 4.386 4.596 -0.210 1 1 909 . 16 1 1 A 104 104 ALA CA C 82 51.004 50.770 0.234 1 1 910 . 16 1 1 A 104 104 ALA CB C 82 17.678 19.399 -1.721 1 1 911 . 16 1 1 A 104 104 ALA N N 82 123.602 122.291 1.311 1 1 912 . 16 1 1 A 106 106 SER HA H 84 4.610 4.686 -0.076 1 1 915 . 16 1 1 A 106 106 SER C C 84 173.480 173.669 -0.189 1 1 916 . 16 1 1 A 106 106 SER CA C 84 58.041 58.623 -0.582 1 1 917 . 16 1 1 A 106 106 SER CB C 84 64.139 65.991 -1.852 1 1 918 . 16 1 1 A 107 107 GLU H H 85 7.443 7.755 -0.312 1 1 919 . 16 1 1 A 107 107 GLU HA H 85 4.640 4.667 -0.027 1 1 924 . 16 1 1 A 107 107 GLU CA C 85 55.058 55.197 -0.139 1 1 925 . 16 1 1 A 107 107 GLU CB C 85 32.203 31.828 0.375 1 1 927 . 16 1 1 A 107 107 GLU N N 85 119.316 116.929 2.387 1 1 928 . 16 1 1 A 108 108 SER HA H 86 4.549 4.531 0.018 1 1 931 . 16 1 1 A 108 108 SER C C 86 174.220 174.084 0.136 1 1 932 . 16 1 1 A 108 108 SER CA C 86 57.291 57.823 -0.532 1 1 933 . 16 1 1 A 108 108 SER CB C 86 62.819 61.346 1.473 1 1 934 . 16 1 1 A 109 109 LEU H H 87 9.011 8.594 0.417 1 1 935 . 16 1 1 A 109 109 LEU HA H 87 4.606 3.926 0.680 1 1 945 . 16 1 1 A 109 109 LEU C C 87 176.720 176.306 0.414 1 1 946 . 16 1 1 A 109 109 LEU CA C 87 54.024 55.513 -1.489 1 1 947 . 16 1 1 A 109 109 LEU CB C 87 43.358 40.770 2.588 1 1 951 . 16 1 1 A 109 109 LEU N N 87 126.582 120.849 5.733 1 1 952 . 16 1 1 A 110 110 GLU H H 88 8.530 8.866 -0.336 1 1 953 . 16 1 1 A 110 110 GLU HA H 88 4.541 4.532 0.009 1 1 958 . 16 1 1 A 110 110 GLU C C 88 175.340 175.941 -0.601 1 1 959 . 16 1 1 A 110 110 GLU CA C 88 55.555 56.477 -0.922 1 1 960 . 16 1 1 A 110 110 GLU CB C 88 29.970 29.941 0.029 1 1 962 . 16 1 1 A 110 110 GLU N N 88 123.263 125.526 -2.263 1 1 963 . 16 1 1 A 111 111 ILE H H 89 8.842 8.441 0.401 1 1 964 . 16 1 1 A 111 111 ILE HA H 89 3.911 4.830 -0.919 1 1 974 . 16 1 1 A 111 111 ILE C C 89 173.250 173.982 -0.732 1 1 975 . 16 1 1 A 111 111 ILE CA C 89 61.207 59.176 2.031 1 1 976 . 16 1 1 A 111 111 ILE CB C 89 38.989 41.205 -2.216 1 1 980 . 16 1 1 A 111 111 ILE N N 89 128.558 121.782 6.776 1 1 981 . 16 1 1 A 112 112 ALA H H 90 8.651 8.717 -0.066 1 1 982 . 16 1 1 A 112 112 ALA HA H 90 4.733 4.675 0.058 1 1 986 . 16 1 1 A 112 112 ALA C C 90 177.040 176.652 0.388 1 1 987 . 16 1 1 A 112 112 ALA CA C 90 50.598 50.173 0.425 1 1 988 . 16 1 1 A 112 112 ALA CB C 90 21.517 19.688 1.829 1 1 989 . 16 1 1 A 112 112 ALA N N 90 131.215 128.006 3.209 1 1 990 . 16 1 1 A 113 113 TRP H H 91 9.084 8.306 0.778 1 1 991 . 16 1 1 A 113 113 TRP HA H 91 5.129 5.447 -0.318 1 1 996 . 16 1 1 A 113 113 TRP C C 91 176.725 176.209 0.516 1 1 997 . 16 1 1 A 113 113 TRP CA C 91 56.263 55.214 1.049 1 1 998 . 16 1 1 A 113 113 TRP CB C 91 31.282 31.224 0.058 1 1 999 . 16 1 1 A 113 113 TRP N N 91 125.391 124.489 0.902 1 1 1001 . 16 1 1 A 114 114 GLN H H 92 9.712 9.198 0.514 1 1 1002 . 16 1 1 A 114 114 GLN HA H 92 5.078 4.576 0.502 1 1 1007 . 16 1 1 A 114 114 GLN CA C 92 52.872 54.272 -1.400 1 1 1008 . 16 1 1 A 114 114 GLN CB C 92 30.288 28.427 1.861 1 1 1010 . 16 1 1 A 114 114 GLN N N 92 122.696 121.511 1.185 1 1 1011 . 16 1 1 A 115 115 PRO HA H 93 4.689 4.503 0.186 1 1 1018 . 16 1 1 A 115 115 PRO C C 93 176.690 177.116 -0.426 1 1 1019 . 16 1 1 A 115 115 PRO CA C 93 63.246 65.251 -2.005 1 1 1020 . 16 1 1 A 115 115 PRO CB C 93 32.152 31.855 0.297 1 1 1023 . 16 1 1 A 116 116 ALA H H 94 8.429 8.029 0.400 1 1 1024 . 16 1 1 A 116 116 ALA HA H 94 4.615 4.543 0.072 1 1 1028 . 16 1 1 A 116 116 ALA C C 94 177.230 176.124 1.106 1 1 1029 . 16 1 1 A 116 116 ALA CA C 94 51.966 53.524 -1.558 1 1 1030 . 16 1 1 A 116 116 ALA CB C 94 20.497 17.689 2.808 1 1 1031 . 16 1 1 A 116 116 ALA N N 94 125.566 119.473 6.093 1 1 1032 . 16 1 1 A 117 117 GLU H H 95 8.754 7.744 1.010 1 1 1033 . 16 1 1 A 117 117 GLU HA H 95 4.479 4.870 -0.391 1 1 1038 . 16 1 1 A 117 117 GLU CA C 95 56.146 55.524 0.622 1 1 1039 . 16 1 1 A 117 117 GLU CB C 95 30.856 33.774 -2.918 1 1 11 . 17 1 1 A 24 24 PHE H H 2 8.940 8.380 0.560 1 1 12 . 17 1 1 A 24 24 PHE HA H 2 4.540 5.077 -0.537 1 1 17 . 17 1 1 A 24 24 PHE C C 2 173.640 175.379 -1.739 1 1 18 . 17 1 1 A 24 24 PHE CA C 2 58.262 57.462 0.800 1 1 19 . 17 1 1 A 24 24 PHE CB C 2 40.639 41.384 -0.745 1 1 20 . 17 1 1 A 24 24 PHE N N 2 121.410 123.957 -2.547 1 1 21 . 17 1 1 A 25 25 ARG H H 3 8.559 8.818 -0.259 1 1 22 . 17 1 1 A 25 25 ARG HA H 3 5.932 5.096 0.836 1 1 29 . 17 1 1 A 25 25 ARG C C 3 175.870 174.265 1.605 1 1 30 . 17 1 1 A 25 25 ARG CA C 3 53.965 55.168 -1.203 1 1 31 . 17 1 1 A 25 25 ARG CB C 3 34.959 33.623 1.336 1 1 34 . 17 1 1 A 25 25 ARG N N 3 123.288 121.111 2.177 1 1 35 . 17 1 1 A 26 26 SER H H 4 9.096 8.970 0.126 1 1 36 . 17 1 1 A 26 26 SER HA H 4 5.306 5.554 -0.248 1 1 39 . 17 1 1 A 26 26 SER C C 4 173.230 172.818 0.412 1 1 40 . 17 1 1 A 26 26 SER CA C 4 56.908 56.387 0.521 1 1 41 . 17 1 1 A 26 26 SER CB C 4 66.846 66.692 0.154 1 1 42 . 17 1 1 A 26 26 SER N N 4 120.152 119.817 0.335 1 1 43 . 17 1 1 A 27 27 THR H H 5 8.889 8.918 -0.029 1 1 44 . 17 1 1 A 27 27 THR HA H 5 6.172 5.574 0.598 1 1 49 . 17 1 1 A 27 27 THR C C 5 173.740 172.317 1.423 1 1 50 . 17 1 1 A 27 27 THR CA C 5 59.621 60.811 -1.190 1 1 51 . 17 1 1 A 27 27 THR CB C 5 75.444 71.517 3.927 1 1 53 . 17 1 1 A 27 27 THR N N 5 112.196 114.744 -2.548 1 1 54 . 17 1 1 A 28 28 SER H H 6 8.945 9.147 -0.202 1 1 55 . 17 1 1 A 28 28 SER HA H 6 4.643 5.486 -0.843 1 1 58 . 17 1 1 A 28 28 SER C C 6 173.400 172.585 0.815 1 1 59 . 17 1 1 A 28 28 SER CA C 6 57.727 56.792 0.935 1 1 60 . 17 1 1 A 28 28 SER CB C 6 65.115 64.662 0.453 1 1 61 . 17 1 1 A 28 28 SER N N 6 115.468 121.855 -6.387 1 1 62 . 17 1 1 A 29 29 HIS H H 7 8.713 8.992 -0.279 1 1 63 . 17 1 1 A 29 29 HIS HA H 7 5.046 5.442 -0.396 1 1 67 . 17 1 1 A 29 29 HIS C C 7 175.330 173.742 1.588 1 1 68 . 17 1 1 A 29 29 HIS CA C 7 55.507 54.050 1.457 1 1 69 . 17 1 1 A 29 29 HIS CB C 7 31.214 32.738 -1.524 1 1 70 . 17 1 1 A 29 29 HIS N N 7 130.131 127.969 2.162 1 1 71 . 17 1 1 A 30 30 VAL H H 8 9.318 8.629 0.689 1 1 72 . 17 1 1 A 30 30 VAL HA H 8 4.431 4.830 -0.399 1 1 80 . 17 1 1 A 30 30 VAL C C 8 175.620 174.799 0.821 1 1 81 . 17 1 1 A 30 30 VAL CA C 8 61.142 60.293 0.849 1 1 82 . 17 1 1 A 30 30 VAL CB C 8 33.063 35.759 -2.696 1 1 85 . 17 1 1 A 30 30 VAL N N 8 128.679 126.409 2.270 1 1 86 . 17 1 1 A 31 31 ARG H H 9 9.212 8.648 0.564 1 1 87 . 17 1 1 A 31 31 ARG HA H 9 4.517 5.028 -0.511 1 1 94 . 17 1 1 A 31 31 ARG C C 9 176.520 175.969 0.551 1 1 95 . 17 1 1 A 31 31 ARG CA C 9 57.458 55.381 2.077 1 1 96 . 17 1 1 A 31 31 ARG CB C 9 29.842 30.872 -1.030 1 1 99 . 17 1 1 A 31 31 ARG N N 9 128.640 125.856 2.784 1 1 100 . 17 1 1 A 32 32 THR H H 10 7.941 8.892 -0.951 1 1 101 . 17 1 1 A 32 32 THR HA H 10 4.627 5.067 -0.440 1 1 105 . 17 1 1 A 32 32 THR C C 10 172.560 172.777 -0.217 1 1 106 . 17 1 1 A 32 32 THR CA C 10 61.473 60.154 1.319 1 1 107 . 17 1 1 A 32 32 THR CB C 10 66.191 73.182 -6.991 1 1 109 . 17 1 1 A 32 32 THR N N 10 120.036 118.773 1.263 1 1 110 . 17 1 1 A 33 33 GLU H H 11 9.022 8.943 0.079 1 1 111 . 17 1 1 A 33 33 GLU HA H 11 4.731 4.820 -0.089 1 1 116 . 17 1 1 A 33 33 GLU C C 11 177.810 176.828 0.982 1 1 117 . 17 1 1 A 33 33 GLU CA C 11 57.466 55.359 2.107 1 1 118 . 17 1 1 A 33 33 GLU CB C 11 30.044 31.843 -1.799 1 1 120 . 17 1 1 A 33 33 GLU N N 11 126.859 123.843 3.016 1 1 121 . 17 1 1 A 34 34 SER H H 12 8.930 9.278 -0.348 1 1 122 . 17 1 1 A 34 34 SER HA H 12 4.795 4.080 0.715 1 1 125 . 17 1 1 A 34 34 SER C C 12 173.360 174.428 -1.068 1 1 126 . 17 1 1 A 34 34 SER CA C 12 56.842 58.974 -2.132 1 1 127 . 17 1 1 A 34 34 SER CB C 12 63.756 62.549 1.207 1 1 128 . 17 1 1 A 34 34 SER N N 12 119.717 118.500 1.217 1 1 129 . 17 1 1 A 35 35 ALA H H 13 8.756 7.725 1.031 1 1 130 . 17 1 1 A 35 35 ALA HA H 13 3.542 3.789 -0.247 1 1 134 . 17 1 1 A 35 35 ALA C C 13 178.560 179.069 -0.509 1 1 135 . 17 1 1 A 35 35 ALA CA C 13 56.288 55.043 1.245 1 1 136 . 17 1 1 A 35 35 ALA CB C 13 21.558 18.619 2.939 1 1 137 . 17 1 1 A 35 35 ALA N N 13 121.856 122.612 -0.756 1 1 138 . 17 1 1 A 36 36 ALA H H 14 8.442 8.102 0.340 1 1 139 . 17 1 1 A 36 36 ALA HA H 14 3.691 4.192 -0.501 1 1 143 . 17 1 1 A 36 36 ALA C C 14 179.900 179.591 0.309 1 1 144 . 17 1 1 A 36 36 ALA CA C 14 55.754 54.749 1.005 1 1 145 . 17 1 1 A 36 36 ALA CB C 14 17.368 18.258 -0.890 1 1 146 . 17 1 1 A 36 36 ALA N N 14 117.191 119.297 -2.106 1 1 147 . 17 1 1 A 37 37 ARG H H 15 7.513 7.231 0.282 1 1 148 . 17 1 1 A 37 37 ARG HA H 15 4.097 4.062 0.035 1 1 155 . 17 1 1 A 37 37 ARG C C 15 178.720 178.510 0.210 1 1 156 . 17 1 1 A 37 37 ARG CA C 15 58.699 58.545 0.154 1 1 157 . 17 1 1 A 37 37 ARG CB C 15 30.024 29.811 0.213 1 1 160 . 17 1 1 A 37 37 ARG N N 15 118.952 118.690 0.262 1 1 161 . 17 1 1 A 38 38 TYR H H 16 7.632 7.853 -0.221 1 1 162 . 17 1 1 A 38 38 TYR HA H 16 4.433 4.316 0.117 1 1 166 . 17 1 1 A 38 38 TYR C C 16 178.110 178.332 -0.222 1 1 167 . 17 1 1 A 38 38 TYR CA C 16 58.473 61.006 -2.533 1 1 168 . 17 1 1 A 38 38 TYR CB C 16 36.286 37.781 -1.495 1 1 169 . 17 1 1 A 38 38 TYR N N 16 118.516 119.249 -0.733 1 1 170 . 17 1 1 A 39 39 VAL H H 17 8.680 7.507 1.173 1 1 171 . 17 1 1 A 39 39 VAL HA H 17 3.491 3.711 -0.220 1 1 179 . 17 1 1 A 39 39 VAL C C 17 177.450 178.352 -0.902 1 1 180 . 17 1 1 A 39 39 VAL CA C 17 68.093 66.249 1.844 1 1 181 . 17 1 1 A 39 39 VAL CB C 17 31.943 31.806 0.137 1 1 184 . 17 1 1 A 39 39 VAL N N 17 119.126 120.532 -1.406 1 1 185 . 17 1 1 A 40 40 ASN H H 18 7.813 7.970 -0.157 1 1 186 . 17 1 1 A 40 40 ASN HA H 18 4.280 4.480 -0.200 1 1 189 . 17 1 1 A 40 40 ASN C C 18 177.190 178.005 -0.815 1 1 190 . 17 1 1 A 40 40 ASN CA C 18 57.525 56.516 1.009 1 1 191 . 17 1 1 A 40 40 ASN CB C 18 39.474 37.854 1.620 1 1 192 . 17 1 1 A 40 40 ASN N N 18 118.013 117.261 0.752 1 1 193 . 17 1 1 A 41 41 ARG H H 19 8.425 8.073 0.352 1 1 194 . 17 1 1 A 41 41 ARG HA H 19 4.010 4.124 -0.114 1 1 201 . 17 1 1 A 41 41 ARG C C 19 180.050 178.989 1.061 1 1 202 . 17 1 1 A 41 41 ARG CA C 19 59.734 58.728 1.006 1 1 203 . 17 1 1 A 41 41 ARG CB C 19 30.877 29.577 1.300 1 1 206 . 17 1 1 A 41 41 ARG N N 19 116.687 120.417 -3.730 1 1 207 . 17 1 1 A 42 42 LEU H H 20 8.731 7.944 0.787 1 1 208 . 17 1 1 A 42 42 LEU HA H 20 3.904 4.097 -0.193 1 1 218 . 17 1 1 A 42 42 LEU C C 20 178.690 178.576 0.114 1 1 219 . 17 1 1 A 42 42 LEU CA C 20 58.238 57.808 0.430 1 1 220 . 17 1 1 A 42 42 LEU CB C 20 41.659 41.710 -0.051 1 1 224 . 17 1 1 A 42 42 LEU N N 20 120.849 119.651 1.198 1 1 225 . 17 1 1 A 43 43 CYS H H 21 8.241 8.638 -0.397 1 1 226 . 17 1 1 A 43 43 CYS HA H 21 4.268 4.122 0.146 1 1 229 . 17 1 1 A 43 43 CYS C C 21 177.530 176.861 0.669 1 1 230 . 17 1 1 A 43 43 CYS CA C 21 65.374 62.389 2.985 1 1 231 . 17 1 1 A 43 43 CYS CB C 21 27.962 27.235 0.727 1 1 232 . 17 1 1 A 43 43 CYS N N 21 115.952 117.789 -1.837 1 1 233 . 17 1 1 A 44 44 LYS H H 22 8.364 8.020 0.344 1 1 234 . 17 1 1 A 44 44 LYS HA H 22 4.091 4.306 -0.215 1 1 243 . 17 1 1 A 44 44 LYS C C 22 179.020 178.742 0.278 1 1 244 . 17 1 1 A 44 44 LYS CA C 22 59.004 58.017 0.987 1 1 245 . 17 1 1 A 44 44 LYS CB C 22 31.921 32.638 -0.717 1 1 249 . 17 1 1 A 44 44 LYS N N 22 119.823 120.408 -0.585 1 1 250 . 17 1 1 A 45 45 HIS H H 23 8.036 7.853 0.183 1 1 251 . 17 1 1 A 45 45 HIS HA H 23 4.408 4.359 0.049 1 1 255 . 17 1 1 A 45 45 HIS C C 23 177.870 177.042 0.828 1 1 256 . 17 1 1 A 45 45 HIS CA C 23 60.404 59.102 1.302 1 1 257 . 17 1 1 A 45 45 HIS CB C 23 30.954 30.857 0.097 1 1 258 . 17 1 1 A 45 45 HIS N N 23 118.729 117.385 1.344 1 1 259 . 17 1 1 A 46 46 TRP H H 24 8.426 8.764 -0.338 1 1 260 . 17 1 1 A 46 46 TRP HA H 24 4.903 4.479 0.424 1 1 265 . 17 1 1 A 46 46 TRP C C 24 177.900 177.618 0.282 1 1 266 . 17 1 1 A 46 46 TRP CA C 24 58.973 59.049 -0.076 1 1 267 . 17 1 1 A 46 46 TRP CB C 24 29.328 29.128 0.200 1 1 268 . 17 1 1 A 46 46 TRP N N 24 117.297 117.516 -0.219 1 1 270 . 17 1 1 A 47 47 GLY H H 25 8.254 8.075 0.179 1 1 271 . 17 1 1 A 47 47 GLY HA2 H 25 4.362 4.044 0.318 1 1 272 . 17 1 1 A 47 47 GLY HA3 H 25 3.936 4.065 -0.129 1 1 273 . 17 1 1 A 47 47 GLY CA C 25 46.812 47.426 -0.614 1 1 274 . 17 1 1 A 47 47 GLY N N 25 108.683 108.183 0.500 1 1 275 . 17 1 1 A 48 48 HIS C C 26 176.030 175.252 0.778 1 1 276 . 17 1 1 A 48 48 HIS CA C 26 58.358 57.125 1.233 1 1 277 . 17 1 1 A 48 48 HIS CB C 26 30.438 32.201 -1.763 1 1 278 . 17 1 1 A 49 49 LYS H H 27 7.544 7.849 -0.305 1 1 279 . 17 1 1 A 49 49 LYS HA H 27 4.236 4.315 -0.079 1 1 288 . 17 1 1 A 49 49 LYS C C 27 174.880 174.314 0.566 1 1 289 . 17 1 1 A 49 49 LYS CA C 27 56.572 55.220 1.352 1 1 290 . 17 1 1 A 49 49 LYS CB C 27 35.793 33.931 1.862 1 1 294 . 17 1 1 A 49 49 LYS N N 27 117.278 120.233 -2.955 1 1 295 . 17 1 1 A 50 50 PHE H H 28 8.178 7.668 0.510 1 1 296 . 17 1 1 A 50 50 PHE HA H 28 5.016 5.090 -0.074 1 1 301 . 17 1 1 A 50 50 PHE C C 28 174.190 174.604 -0.414 1 1 302 . 17 1 1 A 50 50 PHE CA C 28 55.756 56.498 -0.742 1 1 303 . 17 1 1 A 50 50 PHE CB C 28 41.140 43.423 -2.283 1 1 304 . 17 1 1 A 50 50 PHE N N 28 118.846 118.873 -0.027 1 1 305 . 17 1 1 A 51 51 GLU H H 29 7.812 8.483 -0.671 1 1 306 . 17 1 1 A 51 51 GLU HA H 29 4.449 4.594 -0.145 1 1 311 . 17 1 1 A 51 51 GLU C C 29 175.570 175.859 -0.289 1 1 312 . 17 1 1 A 51 51 GLU CA C 29 56.852 55.984 0.868 1 1 313 . 17 1 1 A 51 51 GLU CB C 29 30.207 29.959 0.248 1 1 315 . 17 1 1 A 51 51 GLU N N 29 120.355 120.799 -0.444 1 1 316 . 17 1 1 A 52 52 VAL H H 30 8.395 8.962 -0.567 1 1 317 . 17 1 1 A 52 52 VAL HA H 30 5.383 5.452 -0.069 1 1 325 . 17 1 1 A 52 52 VAL C C 30 175.850 174.368 1.482 1 1 326 . 17 1 1 A 52 52 VAL CA C 30 59.969 60.601 -0.632 1 1 327 . 17 1 1 A 52 52 VAL CB C 30 36.173 33.767 2.406 1 1 330 . 17 1 1 A 52 52 VAL N N 30 124.120 120.567 3.553 1 1 331 . 17 1 1 A 53 53 GLU H H 31 9.289 9.364 -0.075 1 1 332 . 17 1 1 A 53 53 GLU HA H 31 4.717 4.970 -0.253 1 1 337 . 17 1 1 A 53 53 GLU C C 31 174.370 175.240 -0.870 1 1 338 . 17 1 1 A 53 53 GLU CA C 31 55.415 56.023 -0.608 1 1 339 . 17 1 1 A 53 53 GLU CB C 31 33.211 31.841 1.370 1 1 341 . 17 1 1 A 53 53 GLU N N 31 126.346 127.141 -0.795 1 1 342 . 17 1 1 A 54 54 LEU H H 32 8.763 8.663 0.100 1 1 343 . 17 1 1 A 54 54 LEU HA H 32 5.375 4.999 0.376 1 1 353 . 17 1 1 A 54 54 LEU C C 32 175.100 175.168 -0.068 1 1 354 . 17 1 1 A 54 54 LEU CA C 32 55.010 54.368 0.642 1 1 355 . 17 1 1 A 54 54 LEU CB C 32 45.485 45.463 0.022 1 1 359 . 17 1 1 A 54 54 LEU N N 32 126.898 123.875 3.023 1 1 360 . 17 1 1 A 55 55 THR H H 33 9.159 8.374 0.785 1 1 361 . 17 1 1 A 55 55 THR HA H 33 4.886 5.045 -0.159 1 1 366 . 17 1 1 A 55 55 THR CA C 33 59.489 58.391 1.098 1 1 367 . 17 1 1 A 55 55 THR CB C 33 69.241 69.907 -0.666 1 1 369 . 17 1 1 A 55 55 THR N N 33 121.246 117.361 3.885 1 1 370 . 17 1 1 A 56 56 PRO HA H 34 4.269 4.565 -0.296 1 1 377 . 17 1 1 A 56 56 PRO C C 34 177.750 175.757 1.993 1 1 378 . 17 1 1 A 56 56 PRO CA C 34 65.968 62.836 3.132 1 1 379 . 17 1 1 A 56 56 PRO CB C 34 31.786 29.703 2.083 1 1 382 . 17 1 1 A 57 57 GLU H H 35 8.148 8.750 -0.602 1 1 383 . 17 1 1 A 57 57 GLU HA H 35 4.351 4.522 -0.171 1 1 388 . 17 1 1 A 57 57 GLU C C 35 175.720 175.767 -0.047 1 1 389 . 17 1 1 A 57 57 GLU CA C 35 57.085 56.740 0.345 1 1 390 . 17 1 1 A 57 57 GLU CB C 35 30.299 32.381 -2.082 1 1 392 . 17 1 1 A 57 57 GLU N N 35 112.303 120.450 -8.147 1 1 393 . 17 1 1 A 58 58 ARG H H 36 7.777 7.471 0.306 1 1 394 . 17 1 1 A 58 58 ARG HA H 36 5.418 5.214 0.204 1 1 401 . 17 1 1 A 58 58 ARG C C 36 173.610 173.856 -0.246 1 1 402 . 17 1 1 A 58 58 ARG CA C 36 55.576 54.975 0.601 1 1 403 . 17 1 1 A 58 58 ARG CB C 36 33.324 32.591 0.733 1 1 406 . 17 1 1 A 58 58 ARG N N 36 122.018 114.665 7.353 1 1 407 . 17 1 1 A 59 59 GLY H H 37 9.650 8.552 1.098 1 1 408 . 17 1 1 A 59 59 GLY HA2 H 37 5.484 4.277 1.207 1 1 409 . 17 1 1 A 59 59 GLY HA3 H 37 3.554 4.300 -0.746 1 1 410 . 17 1 1 A 59 59 GLY C C 37 171.630 171.979 -0.349 1 1 411 . 17 1 1 A 59 59 GLY CA C 37 44.563 44.101 0.462 1 1 412 . 17 1 1 A 59 59 GLY N N 37 113.745 106.835 6.910 1 1 413 . 17 1 1 A 60 60 PHE H H 38 9.138 8.554 0.584 1 1 414 . 17 1 1 A 60 60 PHE HA H 38 5.472 5.201 0.271 1 1 419 . 17 1 1 A 60 60 PHE C C 38 173.180 173.830 -0.650 1 1 420 . 17 1 1 A 60 60 PHE CA C 38 57.234 56.033 1.201 1 1 421 . 17 1 1 A 60 60 PHE CB C 38 43.107 42.256 0.851 1 1 422 . 17 1 1 A 60 60 PHE N N 38 124.144 122.856 1.288 1 1 423 . 17 1 1 A 61 61 ILE H H 39 8.618 8.495 0.123 1 1 424 . 17 1 1 A 61 61 ILE HA H 39 4.226 4.793 -0.567 1 1 434 . 17 1 1 A 61 61 ILE C C 39 172.950 173.405 -0.455 1 1 435 . 17 1 1 A 61 61 ILE CA C 39 60.357 60.304 0.053 1 1 436 . 17 1 1 A 61 61 ILE CB C 39 41.488 39.736 1.752 1 1 440 . 17 1 1 A 61 61 ILE N N 39 126.753 127.484 -0.731 1 1 441 . 17 1 1 A 62 62 ASP H H 40 8.192 8.197 -0.005 1 1 442 . 17 1 1 A 62 62 ASP HA H 40 4.464 4.712 -0.248 1 1 445 . 17 1 1 A 62 62 ASP C C 40 176.240 175.725 0.515 1 1 446 . 17 1 1 A 62 62 ASP CA C 40 52.208 52.450 -0.242 1 1 447 . 17 1 1 A 62 62 ASP CB C 40 41.489 43.370 -1.881 1 1 448 . 17 1 1 A 62 62 ASP N N 40 124.314 128.462 -4.148 1 1 449 . 17 1 1 A 63 63 PHE H H 41 8.165 8.919 -0.754 1 1 450 . 17 1 1 A 63 63 PHE HA H 41 4.007 4.566 -0.559 1 1 454 . 17 1 1 A 63 63 PHE C C 41 175.640 175.737 -0.097 1 1 455 . 17 1 1 A 63 63 PHE CA C 41 58.407 57.911 0.496 1 1 456 . 17 1 1 A 63 63 PHE CB C 41 38.486 39.201 -0.715 1 1 457 . 17 1 1 A 63 63 PHE N N 41 123.395 124.553 -1.158 1 1 458 . 17 1 1 A 64 64 GLY H H 42 9.003 7.780 1.223 1 1 459 . 17 1 1 A 64 64 GLY HA2 H 42 4.675 4.043 0.632 1 1 460 . 17 1 1 A 64 64 GLY HA3 H 42 3.484 4.076 -0.592 1 1 461 . 17 1 1 A 64 64 GLY CA C 42 45.938 46.062 -0.124 1 1 462 . 17 1 1 A 64 64 GLY N N 42 112.196 107.350 4.846 1 1 463 . 17 1 1 A 65 65 ASP HA H 43 4.675 4.753 -0.078 1 1 466 . 17 1 1 A 65 65 ASP C C 43 176.170 174.572 1.598 1 1 467 . 17 1 1 A 65 65 ASP CA C 43 55.415 53.222 2.193 1 1 468 . 17 1 1 A 65 65 ASP CB C 43 41.379 39.023 2.356 1 1 469 . 17 1 1 A 66 66 SER H H 44 7.743 7.783 -0.040 1 1 470 . 17 1 1 A 66 66 SER HA H 44 5.292 5.004 0.288 1 1 473 . 17 1 1 A 66 66 SER C C 44 172.190 172.284 -0.094 1 1 474 . 17 1 1 A 66 66 SER CA C 44 57.890 57.547 0.343 1 1 475 . 17 1 1 A 66 66 SER CB C 44 66.054 65.609 0.445 1 1 476 . 17 1 1 A 66 66 SER N N 44 112.796 113.118 -0.322 1 1 477 . 17 1 1 A 67 67 ASN H H 45 9.075 8.877 0.198 1 1 478 . 17 1 1 A 67 67 ASN HA H 45 5.126 5.233 -0.107 1 1 481 . 17 1 1 A 67 67 ASN C C 45 172.300 173.478 -1.178 1 1 482 . 17 1 1 A 67 67 ASN CA C 45 52.997 52.126 0.871 1 1 483 . 17 1 1 A 67 67 ASN CB C 45 42.047 43.299 -1.252 1 1 484 . 17 1 1 A 67 67 ASN N N 45 114.955 117.398 -2.443 1 1 485 . 17 1 1 A 68 68 CYS H H 46 8.757 8.292 0.465 1 1 486 . 17 1 1 A 68 68 CYS HA H 46 5.652 4.930 0.722 1 1 489 . 17 1 1 A 68 68 CYS C C 46 170.650 172.917 -2.267 1 1 490 . 17 1 1 A 68 68 CYS CA C 46 56.668 58.415 -1.747 1 1 491 . 17 1 1 A 68 68 CYS CB C 46 31.195 29.299 1.896 1 1 492 . 17 1 1 A 68 68 CYS N N 46 119.184 118.528 0.656 1 1 493 . 17 1 1 A 69 69 GLU H H 47 9.587 9.399 0.188 1 1 494 . 17 1 1 A 69 69 GLU HA H 47 5.283 5.633 -0.350 1 1 499 . 17 1 1 A 69 69 GLU C C 47 174.190 175.197 -1.007 1 1 500 . 17 1 1 A 69 69 GLU CA C 47 54.401 55.478 -1.077 1 1 501 . 17 1 1 A 69 69 GLU CB C 47 33.607 32.548 1.059 1 1 503 . 17 1 1 A 69 69 GLU N N 47 131.612 128.588 3.024 1 1 504 . 17 1 1 A 70 70 LEU H H 48 9.523 8.582 0.941 1 1 505 . 17 1 1 A 70 70 LEU HA H 48 5.314 5.247 0.067 1 1 515 . 17 1 1 A 70 70 LEU C C 48 174.730 175.018 -0.288 1 1 516 . 17 1 1 A 70 70 LEU CA C 48 53.570 53.218 0.352 1 1 517 . 17 1 1 A 70 70 LEU CB C 48 46.109 44.991 1.118 1 1 521 . 17 1 1 A 70 70 LEU N N 48 125.069 122.206 2.863 1 1 522 . 17 1 1 A 71 71 LEU H H 49 9.493 9.367 0.126 1 1 523 . 17 1 1 A 71 71 LEU HA H 49 5.001 5.218 -0.217 1 1 533 . 17 1 1 A 71 71 LEU C C 49 175.310 175.220 0.090 1 1 534 . 17 1 1 A 71 71 LEU CA C 49 53.809 53.879 -0.070 1 1 535 . 17 1 1 A 71 71 LEU CB C 49 42.880 44.159 -1.279 1 1 539 . 17 1 1 A 71 71 LEU N N 49 123.714 126.297 -2.583 1 1 540 . 17 1 1 A 72 72 ALA H H 50 8.255 8.702 -0.447 1 1 541 . 17 1 1 A 72 72 ALA HA H 50 4.307 5.099 -0.792 1 1 545 . 17 1 1 A 72 72 ALA C C 50 174.800 175.255 -0.455 1 1 546 . 17 1 1 A 72 72 ALA CA C 50 51.618 51.282 0.336 1 1 547 . 17 1 1 A 72 72 ALA CB C 50 18.634 21.393 -2.759 1 1 548 . 17 1 1 A 72 72 ALA N N 50 125.398 128.304 -2.906 1 1 549 . 17 1 1 A 73 73 HIS H H 51 8.053 9.331 -1.278 1 1 550 . 17 1 1 A 73 73 HIS HA H 51 4.953 4.907 0.046 1 1 554 . 17 1 1 A 73 73 HIS CA C 51 54.682 53.849 0.833 1 1 555 . 17 1 1 A 73 73 HIS CB C 51 31.150 32.074 -0.924 1 1 556 . 17 1 1 A 73 73 HIS N N 51 123.172 124.053 -0.881 1 1 557 . 17 1 1 A 74 74 PRO HA H 52 4.385 4.119 0.266 1 1 564 . 17 1 1 A 74 74 PRO C C 52 176.370 176.867 -0.497 1 1 565 . 17 1 1 A 74 74 PRO CA C 52 65.625 64.973 0.652 1 1 566 . 17 1 1 A 74 74 PRO CB C 52 32.014 31.916 0.098 1 1 569 . 17 1 1 A 75 75 ASP H H 53 8.303 8.207 0.096 1 1 570 . 17 1 1 A 75 75 ASP HA H 53 4.955 5.390 -0.435 1 1 573 . 17 1 1 A 75 75 ASP C C 53 177.380 175.198 2.182 1 1 574 . 17 1 1 A 75 75 ASP CA C 53 52.034 53.360 -1.326 1 1 575 . 17 1 1 A 75 75 ASP CB C 53 41.826 43.025 -1.199 1 1 576 . 17 1 1 A 75 75 ASP N N 53 109.961 117.001 -7.040 1 1 577 . 17 1 1 A 76 76 HIS H H 54 7.379 7.236 0.143 1 1 578 . 17 1 1 A 76 76 HIS HA H 54 5.421 5.386 0.035 1 1 582 . 17 1 1 A 76 76 HIS C C 54 172.470 172.763 -0.293 1 1 583 . 17 1 1 A 76 76 HIS CA C 54 56.943 54.096 2.847 1 1 584 . 17 1 1 A 76 76 HIS CB C 54 29.909 33.743 -3.834 1 1 585 . 17 1 1 A 76 76 HIS N N 54 114.752 116.312 -1.560 1 1 586 . 17 1 1 A 77 77 VAL H H 55 8.933 8.388 0.545 1 1 587 . 17 1 1 A 77 77 VAL HA H 55 4.837 5.046 -0.209 1 1 595 . 17 1 1 A 77 77 VAL C C 55 173.420 173.746 -0.326 1 1 596 . 17 1 1 A 77 77 VAL CA C 55 59.429 59.799 -0.370 1 1 597 . 17 1 1 A 77 77 VAL CB C 55 35.121 35.578 -0.457 1 1 600 . 17 1 1 A 77 77 VAL N N 55 117.287 119.559 -2.272 1 1 601 . 17 1 1 A 78 78 LEU H H 56 9.004 9.700 -0.696 1 1 602 . 17 1 1 A 78 78 LEU HA H 56 5.466 5.357 0.109 1 1 612 . 17 1 1 A 78 78 LEU C C 56 175.140 175.564 -0.424 1 1 613 . 17 1 1 A 78 78 LEU CA C 56 53.084 53.920 -0.836 1 1 614 . 17 1 1 A 78 78 LEU CB C 56 44.499 45.639 -1.140 1 1 618 . 17 1 1 A 78 78 LEU N N 56 130.334 128.060 2.274 1 1 619 . 17 1 1 A 79 79 MET H H 57 9.381 8.833 0.548 1 1 620 . 17 1 1 A 79 79 MET HA H 57 5.678 5.244 0.434 1 1 625 . 17 1 1 A 79 79 MET C C 57 175.160 174.690 0.470 1 1 626 . 17 1 1 A 79 79 MET CA C 57 54.216 54.400 -0.184 1 1 627 . 17 1 1 A 79 79 MET CB C 57 37.309 35.164 2.145 1 1 629 . 17 1 1 A 79 79 MET N N 57 124.304 122.361 1.943 1 1 630 . 17 1 1 A 80 80 ILE H H 58 9.552 8.911 0.641 1 1 631 . 17 1 1 A 80 80 ILE HA H 58 4.957 5.141 -0.184 1 1 641 . 17 1 1 A 80 80 ILE C C 58 175.160 175.547 -0.387 1 1 642 . 17 1 1 A 80 80 ILE CA C 58 61.338 59.927 1.411 1 1 643 . 17 1 1 A 80 80 ILE CB C 58 41.092 41.412 -0.320 1 1 647 . 17 1 1 A 80 80 ILE N N 58 122.359 124.603 -2.244 1 1 648 . 17 1 1 A 81 81 LEU H H 59 9.549 9.135 0.414 1 1 649 . 17 1 1 A 81 81 LEU HA H 59 5.274 5.253 0.021 1 1 659 . 17 1 1 A 81 81 LEU C C 59 174.280 175.424 -1.144 1 1 660 . 17 1 1 A 81 81 LEU CA C 59 53.621 52.588 1.033 1 1 661 . 17 1 1 A 81 81 LEU CB C 59 46.837 45.620 1.217 1 1 665 . 17 1 1 A 81 81 LEU N N 59 131.901 124.712 7.189 1 1 666 . 17 1 1 A 82 82 ASN H H 60 8.516 8.536 -0.020 1 1 667 . 17 1 1 A 82 82 ASN HA H 60 5.851 5.520 0.331 1 1 670 . 17 1 1 A 82 82 ASN C C 60 174.840 174.092 0.748 1 1 671 . 17 1 1 A 82 82 ASN CA C 60 52.549 52.108 0.441 1 1 672 . 17 1 1 A 82 82 ASN CB C 60 43.188 39.740 3.448 1 1 673 . 17 1 1 A 82 82 ASN N N 60 120.142 119.054 1.088 1 1 674 . 17 1 1 A 83 83 SER H H 61 9.176 8.409 0.767 1 1 675 . 17 1 1 A 83 83 SER HA H 61 5.295 4.839 0.456 1 1 678 . 17 1 1 A 83 83 SER CA C 61 57.388 55.598 1.790 1 1 679 . 17 1 1 A 83 83 SER CB C 61 68.052 66.183 1.869 1 1 680 . 17 1 1 A 83 83 SER N N 61 116.871 119.372 -2.501 1 1 681 . 17 1 1 A 84 84 PRO HA H 62 4.907 4.067 0.840 1 1 688 . 17 1 1 A 84 84 PRO C C 62 175.210 175.122 0.088 1 1 689 . 17 1 1 A 84 84 PRO CA C 62 64.539 63.671 0.868 1 1 690 . 17 1 1 A 84 84 PRO CB C 62 32.726 31.693 1.033 1 1 693 . 17 1 1 A 85 85 ASP H H 63 7.228 7.677 -0.449 1 1 694 . 17 1 1 A 85 85 ASP HA H 63 4.630 5.268 -0.638 1 1 697 . 17 1 1 A 85 85 ASP C C 63 174.540 175.913 -1.373 1 1 698 . 17 1 1 A 85 85 ASP CA C 63 53.119 53.535 -0.416 1 1 699 . 17 1 1 A 85 85 ASP CB C 63 42.880 43.260 -0.380 1 1 700 . 17 1 1 A 85 85 ASP N N 63 112.313 118.346 -6.033 1 1 701 . 17 1 1 A 86 86 GLU H H 64 8.761 9.497 -0.736 1 1 702 . 17 1 1 A 86 86 GLU HA H 64 3.321 4.168 -0.847 1 1 707 . 17 1 1 A 86 86 GLU C C 64 178.440 178.624 -0.184 1 1 708 . 17 1 1 A 86 86 GLU CA C 64 59.937 59.653 0.284 1 1 709 . 17 1 1 A 86 86 GLU CB C 64 29.707 29.560 0.147 1 1 711 . 17 1 1 A 86 86 GLU N N 64 120.055 125.175 -5.120 1 1 712 . 17 1 1 A 87 87 ASP H H 65 8.332 8.170 0.162 1 1 713 . 17 1 1 A 87 87 ASP HA H 65 4.414 4.322 0.092 1 1 716 . 17 1 1 A 87 87 ASP C C 65 179.400 178.594 0.806 1 1 717 . 17 1 1 A 87 87 ASP CA C 65 57.203 57.641 -0.438 1 1 718 . 17 1 1 A 87 87 ASP CB C 65 40.323 41.309 -0.986 1 1 719 . 17 1 1 A 87 87 ASP N N 65 121.933 120.417 1.516 1 1 720 . 17 1 1 A 88 88 SER H H 66 8.949 8.171 0.778 1 1 721 . 17 1 1 A 88 88 SER HA H 66 4.169 4.189 -0.020 1 1 724 . 17 1 1 A 88 88 SER C C 66 176.110 176.217 -0.107 1 1 725 . 17 1 1 A 88 88 SER CA C 66 62.032 62.404 -0.372 1 1 726 . 17 1 1 A 88 88 SER CB C 66 62.178 63.085 -0.907 1 1 727 . 17 1 1 A 88 88 SER N N 66 119.726 116.603 3.123 1 1 728 . 17 1 1 A 89 89 LEU H H 67 7.737 8.815 -1.078 1 1 729 . 17 1 1 A 89 89 LEU HA H 67 4.017 4.432 -0.415 1 1 739 . 17 1 1 A 89 89 LEU C C 67 177.790 178.164 -0.374 1 1 740 . 17 1 1 A 89 89 LEU CA C 67 57.958 58.407 -0.449 1 1 741 . 17 1 1 A 89 89 LEU CB C 67 42.394 42.298 0.096 1 1 745 . 17 1 1 A 89 89 LEU N N 67 122.942 122.769 0.173 1 1 746 . 17 1 1 A 90 90 ALA H H 68 7.483 9.411 -1.928 1 1 747 . 17 1 1 A 90 90 ALA HA H 68 3.780 4.013 -0.233 1 1 751 . 17 1 1 A 90 90 ALA C C 68 180.410 179.404 1.006 1 1 752 . 17 1 1 A 90 90 ALA CA C 68 54.782 54.719 0.063 1 1 753 . 17 1 1 A 90 90 ALA CB C 68 17.857 18.491 -0.634 1 1 754 . 17 1 1 A 90 90 ALA N N 68 119.446 120.514 -1.068 1 1 755 . 17 1 1 A 91 91 HIS H H 69 7.707 8.233 -0.526 1 1 756 . 17 1 1 A 91 91 HIS HA H 69 4.377 3.987 0.390 1 1 760 . 17 1 1 A 91 91 HIS C C 69 177.865 177.109 0.756 1 1 761 . 17 1 1 A 91 91 HIS CA C 69 59.518 59.528 -0.010 1 1 762 . 17 1 1 A 91 91 HIS CB C 69 30.954 29.567 1.387 1 1 763 . 17 1 1 A 91 91 HIS N N 69 116.881 117.975 -1.094 1 1 764 . 17 1 1 A 92 92 MET H H 70 8.467 8.408 0.059 1 1 765 . 17 1 1 A 92 92 MET HA H 70 4.087 3.976 0.111 1 1 770 . 17 1 1 A 92 92 MET C C 70 178.390 178.132 0.258 1 1 771 . 17 1 1 A 92 92 MET CA C 70 55.584 58.636 -3.052 1 1 772 . 17 1 1 A 92 92 MET CB C 70 29.773 33.337 -3.564 1 1 774 . 17 1 1 A 92 92 MET N N 70 116.968 116.706 0.262 1 1 775 . 17 1 1 A 93 93 GLN H H 71 8.309 8.298 0.011 1 1 776 . 17 1 1 A 93 93 GLN HA H 71 2.874 3.991 -1.117 1 1 781 . 17 1 1 A 93 93 GLN C C 71 178.420 178.135 0.285 1 1 782 . 17 1 1 A 93 93 GLN CA C 71 58.852 58.512 0.340 1 1 783 . 17 1 1 A 93 93 GLN CB C 71 27.658 27.906 -0.248 1 1 785 . 17 1 1 A 93 93 GLN N N 71 120.665 117.187 3.478 1 1 786 . 17 1 1 A 94 94 ASN H H 72 6.899 8.224 -1.325 1 1 787 . 17 1 1 A 94 94 ASN HA H 72 4.596 4.385 0.211 1 1 790 . 17 1 1 A 94 94 ASN C C 72 177.380 177.422 -0.042 1 1 791 . 17 1 1 A 94 94 ASN CA C 72 56.037 55.773 0.264 1 1 792 . 17 1 1 A 94 94 ASN CB C 72 38.219 38.617 -0.398 1 1 793 . 17 1 1 A 94 94 ASN N N 72 116.271 118.966 -2.695 1 1 794 . 17 1 1 A 95 95 VAL H H 73 8.050 7.691 0.359 1 1 795 . 17 1 1 A 95 95 VAL HA H 73 3.983 3.511 0.472 1 1 803 . 17 1 1 A 95 95 VAL C C 73 180.050 178.176 1.874 1 1 804 . 17 1 1 A 95 95 VAL CA C 73 66.515 66.023 0.492 1 1 805 . 17 1 1 A 95 95 VAL CB C 73 32.587 31.400 1.187 1 1 808 . 17 1 1 A 95 95 VAL N N 73 121.798 119.131 2.667 1 1 809 . 17 1 1 A 96 96 VAL H H 74 9.082 7.597 1.485 1 1 810 . 17 1 1 A 96 96 VAL HA H 74 3.986 2.815 1.171 1 1 818 . 17 1 1 A 96 96 VAL C C 74 177.490 177.919 -0.429 1 1 819 . 17 1 1 A 96 96 VAL CA C 74 67.947 65.912 2.035 1 1 820 . 17 1 1 A 96 96 VAL CB C 74 31.966 31.239 0.727 1 1 823 . 17 1 1 A 96 96 VAL N N 74 120.549 120.583 -0.034 1 1 824 . 17 1 1 A 97 97 ALA H H 75 8.285 7.755 0.530 1 1 825 . 17 1 1 A 97 97 ALA HA H 75 4.108 3.939 0.169 1 1 829 . 17 1 1 A 97 97 ALA C C 75 179.320 179.316 0.004 1 1 830 . 17 1 1 A 97 97 ALA CA C 75 56.117 54.901 1.216 1 1 831 . 17 1 1 A 97 97 ALA CB C 75 19.867 18.475 1.392 1 1 832 . 17 1 1 A 97 97 ALA N N 75 120.375 121.604 -1.229 1 1 833 . 17 1 1 A 98 98 ASP H H 76 8.522 7.575 0.947 1 1 834 . 17 1 1 A 98 98 ASP HA H 76 4.356 4.388 -0.032 1 1 837 . 17 1 1 A 98 98 ASP C C 76 179.100 178.780 0.320 1 1 838 . 17 1 1 A 98 98 ASP CA C 76 57.252 57.414 -0.162 1 1 839 . 17 1 1 A 98 98 ASP CB C 76 41.335 40.915 0.420 1 1 840 . 17 1 1 A 98 98 ASP N N 76 116.871 118.612 -1.741 1 1 841 . 17 1 1 A 99 99 HIS H H 77 8.162 7.802 0.360 1 1 842 . 17 1 1 A 99 99 HIS HA H 77 3.847 4.364 -0.517 1 1 846 . 17 1 1 A 99 99 HIS C C 77 177.440 178.182 -0.742 1 1 847 . 17 1 1 A 99 99 HIS CA C 77 61.636 59.218 2.418 1 1 848 . 17 1 1 A 99 99 HIS CB C 77 29.328 29.704 -0.376 1 1 849 . 17 1 1 A 99 99 HIS N N 77 116.758 118.593 -1.835 1 1 850 . 17 1 1 A 100 100 LEU H H 78 8.718 8.220 0.498 1 1 851 . 17 1 1 A 100 100 LEU HA H 78 3.862 3.947 -0.085 1 1 861 . 17 1 1 A 100 100 LEU C C 78 177.720 179.376 -1.656 1 1 862 . 17 1 1 A 100 100 LEU CA C 78 58.746 57.322 1.424 1 1 863 . 17 1 1 A 100 100 LEU CB C 78 40.324 41.229 -0.905 1 1 867 . 17 1 1 A 100 100 LEU N N 78 120.332 118.997 1.335 1 1 868 . 17 1 1 A 101 101 GLN H H 79 8.167 8.038 0.129 1 1 869 . 17 1 1 A 101 101 GLN HA H 79 3.973 3.976 -0.003 1 1 874 . 17 1 1 A 101 101 GLN C C 79 178.990 178.479 0.511 1 1 875 . 17 1 1 A 101 101 GLN CA C 79 58.359 59.186 -0.827 1 1 876 . 17 1 1 A 101 101 GLN CB C 79 29.575 28.759 0.816 1 1 878 . 17 1 1 A 101 101 GLN N N 79 115.715 119.624 -3.909 1 1 879 . 17 1 1 A 102 102 ARG H H 80 7.835 7.882 -0.047 1 1 880 . 17 1 1 A 102 102 ARG HA H 80 3.990 4.079 -0.089 1 1 887 . 17 1 1 A 102 102 ARG C C 80 178.540 177.510 1.030 1 1 888 . 17 1 1 A 102 102 ARG CA C 80 58.789 58.874 -0.085 1 1 889 . 17 1 1 A 102 102 ARG CB C 80 30.218 29.959 0.259 1 1 892 . 17 1 1 A 102 102 ARG N N 80 118.207 118.418 -0.211 1 1 893 . 17 1 1 A 103 103 MET H H 81 7.645 7.790 -0.145 1 1 894 . 17 1 1 A 103 103 MET HA H 81 4.353 4.097 0.256 1 1 899 . 17 1 1 A 103 103 MET C C 81 176.300 177.120 -0.820 1 1 900 . 17 1 1 A 103 103 MET CA C 81 55.646 57.079 -1.433 1 1 901 . 17 1 1 A 103 103 MET CB C 81 32.620 31.534 1.086 1 1 903 . 17 1 1 A 103 103 MET N N 81 116.250 116.526 -0.276 1 1 904 . 17 1 1 A 104 104 ALA H H 82 7.324 7.587 -0.263 1 1 905 . 17 1 1 A 104 104 ALA HA H 82 4.386 4.424 -0.038 1 1 909 . 17 1 1 A 104 104 ALA CA C 82 51.004 53.006 -2.002 1 1 910 . 17 1 1 A 104 104 ALA CB C 82 17.678 20.633 -2.955 1 1 911 . 17 1 1 A 104 104 ALA N N 82 123.602 121.775 1.827 1 1 912 . 17 1 1 A 106 106 SER HA H 84 4.610 4.662 -0.052 1 1 915 . 17 1 1 A 106 106 SER C C 84 173.480 173.010 0.470 1 1 916 . 17 1 1 A 106 106 SER CA C 84 58.041 59.366 -1.325 1 1 917 . 17 1 1 A 106 106 SER CB C 84 64.139 64.333 -0.194 1 1 918 . 17 1 1 A 107 107 GLU H H 85 7.443 8.257 -0.814 1 1 919 . 17 1 1 A 107 107 GLU HA H 85 4.640 4.885 -0.245 1 1 924 . 17 1 1 A 107 107 GLU CA C 85 55.058 54.189 0.869 1 1 925 . 17 1 1 A 107 107 GLU CB C 85 32.203 32.335 -0.132 1 1 927 . 17 1 1 A 107 107 GLU N N 85 119.316 117.643 1.673 1 1 928 . 17 1 1 A 108 108 SER HA H 86 4.549 4.540 0.009 1 1 931 . 17 1 1 A 108 108 SER C C 86 174.220 174.037 0.183 1 1 932 . 17 1 1 A 108 108 SER CA C 86 57.291 57.939 -0.648 1 1 933 . 17 1 1 A 108 108 SER CB C 86 62.819 61.276 1.543 1 1 934 . 17 1 1 A 109 109 LEU H H 87 9.011 8.578 0.433 1 1 935 . 17 1 1 A 109 109 LEU HA H 87 4.606 3.947 0.659 1 1 945 . 17 1 1 A 109 109 LEU C C 87 176.720 176.495 0.225 1 1 946 . 17 1 1 A 109 109 LEU CA C 87 54.024 55.646 -1.622 1 1 947 . 17 1 1 A 109 109 LEU CB C 87 43.358 40.818 2.540 1 1 951 . 17 1 1 A 109 109 LEU N N 87 126.582 121.747 4.835 1 1 952 . 17 1 1 A 110 110 GLU H H 88 8.530 8.905 -0.375 1 1 953 . 17 1 1 A 110 110 GLU HA H 88 4.541 4.570 -0.029 1 1 958 . 17 1 1 A 110 110 GLU C C 88 175.340 176.019 -0.679 1 1 959 . 17 1 1 A 110 110 GLU CA C 88 55.555 56.535 -0.980 1 1 960 . 17 1 1 A 110 110 GLU CB C 88 29.970 29.988 -0.018 1 1 962 . 17 1 1 A 110 110 GLU N N 88 123.263 125.582 -2.319 1 1 963 . 17 1 1 A 111 111 ILE H H 89 8.842 8.497 0.345 1 1 964 . 17 1 1 A 111 111 ILE HA H 89 3.911 4.988 -1.077 1 1 974 . 17 1 1 A 111 111 ILE C C 89 173.250 174.156 -0.906 1 1 975 . 17 1 1 A 111 111 ILE CA C 89 61.207 59.286 1.921 1 1 976 . 17 1 1 A 111 111 ILE CB C 89 38.989 41.275 -2.286 1 1 980 . 17 1 1 A 111 111 ILE N N 89 128.558 121.851 6.707 1 1 981 . 17 1 1 A 112 112 ALA H H 90 8.651 8.949 -0.298 1 1 982 . 17 1 1 A 112 112 ALA HA H 90 4.733 4.875 -0.142 1 1 986 . 17 1 1 A 112 112 ALA C C 90 177.040 176.773 0.267 1 1 987 . 17 1 1 A 112 112 ALA CA C 90 50.598 50.342 0.256 1 1 988 . 17 1 1 A 112 112 ALA CB C 90 21.517 19.963 1.554 1 1 989 . 17 1 1 A 112 112 ALA N N 90 131.215 128.185 3.030 1 1 990 . 17 1 1 A 113 113 TRP H H 91 9.084 8.714 0.370 1 1 991 . 17 1 1 A 113 113 TRP HA H 91 5.129 5.410 -0.281 1 1 996 . 17 1 1 A 113 113 TRP C C 91 176.725 176.215 0.510 1 1 997 . 17 1 1 A 113 113 TRP CA C 91 56.263 55.255 1.008 1 1 998 . 17 1 1 A 113 113 TRP CB C 91 31.282 31.235 0.047 1 1 999 . 17 1 1 A 113 113 TRP N N 91 125.391 124.535 0.856 1 1 1001 . 17 1 1 A 114 114 GLN H H 92 9.712 9.190 0.522 1 1 1002 . 17 1 1 A 114 114 GLN HA H 92 5.078 4.458 0.620 1 1 1007 . 17 1 1 A 114 114 GLN CA C 92 52.872 54.166 -1.294 1 1 1008 . 17 1 1 A 114 114 GLN CB C 92 30.288 28.258 2.030 1 1 1010 . 17 1 1 A 114 114 GLN N N 92 122.696 121.246 1.450 1 1 1011 . 17 1 1 A 115 115 PRO HA H 93 4.689 4.466 0.223 1 1 1018 . 17 1 1 A 115 115 PRO C C 93 176.690 177.132 -0.442 1 1 1019 . 17 1 1 A 115 115 PRO CA C 93 63.246 65.200 -1.954 1 1 1020 . 17 1 1 A 115 115 PRO CB C 93 32.152 31.845 0.307 1 1 1023 . 17 1 1 A 116 116 ALA H H 94 8.429 7.914 0.515 1 1 1024 . 17 1 1 A 116 116 ALA HA H 94 4.615 4.585 0.030 1 1 1028 . 17 1 1 A 116 116 ALA C C 94 177.230 177.522 -0.292 1 1 1029 . 17 1 1 A 116 116 ALA CA C 94 51.966 53.624 -1.658 1 1 1030 . 17 1 1 A 116 116 ALA CB C 94 20.497 17.653 2.844 1 1 1031 . 17 1 1 A 116 116 ALA N N 94 125.566 119.728 5.838 1 1 1032 . 17 1 1 A 117 117 GLU H H 95 8.754 7.993 0.761 1 1 1033 . 17 1 1 A 117 117 GLU HA H 95 4.479 4.640 -0.161 1 1 1038 . 17 1 1 A 117 117 GLU CA C 95 56.146 55.692 0.454 1 1 1039 . 17 1 1 A 117 117 GLU CB C 95 30.856 30.382 0.474 1 1 11 . 18 1 1 A 24 24 PHE H H 2 8.940 7.978 0.962 1 1 12 . 18 1 1 A 24 24 PHE HA H 2 4.540 4.763 -0.223 1 1 17 . 18 1 1 A 24 24 PHE C C 2 173.640 175.644 -2.004 1 1 18 . 18 1 1 A 24 24 PHE CA C 2 58.262 57.959 0.303 1 1 19 . 18 1 1 A 24 24 PHE CB C 2 40.639 39.910 0.729 1 1 20 . 18 1 1 A 24 24 PHE N N 2 121.410 124.311 -2.901 1 1 21 . 18 1 1 A 25 25 ARG H H 3 8.559 8.862 -0.303 1 1 22 . 18 1 1 A 25 25 ARG HA H 3 5.932 5.104 0.828 1 1 29 . 18 1 1 A 25 25 ARG C C 3 175.870 174.257 1.613 1 1 30 . 18 1 1 A 25 25 ARG CA C 3 53.965 55.116 -1.151 1 1 31 . 18 1 1 A 25 25 ARG CB C 3 34.959 33.537 1.422 1 1 34 . 18 1 1 A 25 25 ARG N N 3 123.288 121.190 2.098 1 1 35 . 18 1 1 A 26 26 SER H H 4 9.096 8.945 0.151 1 1 36 . 18 1 1 A 26 26 SER HA H 4 5.306 5.511 -0.205 1 1 39 . 18 1 1 A 26 26 SER C C 4 173.230 172.784 0.446 1 1 40 . 18 1 1 A 26 26 SER CA C 4 56.908 56.355 0.553 1 1 41 . 18 1 1 A 26 26 SER CB C 4 66.846 66.552 0.294 1 1 42 . 18 1 1 A 26 26 SER N N 4 120.152 119.854 0.298 1 1 43 . 18 1 1 A 27 27 THR H H 5 8.889 8.894 -0.005 1 1 44 . 18 1 1 A 27 27 THR HA H 5 6.172 5.607 0.565 1 1 49 . 18 1 1 A 27 27 THR C C 5 173.740 172.182 1.558 1 1 50 . 18 1 1 A 27 27 THR CA C 5 59.621 60.716 -1.095 1 1 51 . 18 1 1 A 27 27 THR CB C 5 75.444 71.507 3.937 1 1 53 . 18 1 1 A 27 27 THR N N 5 112.196 114.696 -2.500 1 1 54 . 18 1 1 A 28 28 SER H H 6 8.945 9.119 -0.174 1 1 55 . 18 1 1 A 28 28 SER HA H 6 4.643 5.438 -0.795 1 1 58 . 18 1 1 A 28 28 SER C C 6 173.400 172.664 0.736 1 1 59 . 18 1 1 A 28 28 SER CA C 6 57.727 57.041 0.686 1 1 60 . 18 1 1 A 28 28 SER CB C 6 65.115 64.766 0.349 1 1 61 . 18 1 1 A 28 28 SER N N 6 115.468 121.984 -6.516 1 1 62 . 18 1 1 A 29 29 HIS H H 7 8.713 9.027 -0.314 1 1 63 . 18 1 1 A 29 29 HIS HA H 7 5.046 5.493 -0.447 1 1 67 . 18 1 1 A 29 29 HIS C C 7 175.330 173.647 1.683 1 1 68 . 18 1 1 A 29 29 HIS CA C 7 55.507 53.873 1.634 1 1 69 . 18 1 1 A 29 29 HIS CB C 7 31.214 32.743 -1.529 1 1 70 . 18 1 1 A 29 29 HIS N N 7 130.131 127.974 2.157 1 1 71 . 18 1 1 A 30 30 VAL H H 8 9.318 8.989 0.329 1 1 72 . 18 1 1 A 30 30 VAL HA H 8 4.431 4.760 -0.329 1 1 80 . 18 1 1 A 30 30 VAL C C 8 175.620 174.762 0.858 1 1 81 . 18 1 1 A 30 30 VAL CA C 8 61.142 60.287 0.855 1 1 82 . 18 1 1 A 30 30 VAL CB C 8 33.063 35.763 -2.700 1 1 85 . 18 1 1 A 30 30 VAL N N 8 128.679 126.650 2.029 1 1 86 . 18 1 1 A 31 31 ARG H H 9 9.212 8.601 0.611 1 1 87 . 18 1 1 A 31 31 ARG HA H 9 4.517 5.012 -0.495 1 1 94 . 18 1 1 A 31 31 ARG C C 9 176.520 175.867 0.653 1 1 95 . 18 1 1 A 31 31 ARG CA C 9 57.458 55.364 2.094 1 1 96 . 18 1 1 A 31 31 ARG CB C 9 29.842 30.774 -0.932 1 1 99 . 18 1 1 A 31 31 ARG N N 9 128.640 125.811 2.829 1 1 100 . 18 1 1 A 32 32 THR H H 10 7.941 8.960 -1.019 1 1 101 . 18 1 1 A 32 32 THR HA H 10 4.627 5.050 -0.423 1 1 105 . 18 1 1 A 32 32 THR C C 10 172.560 172.916 -0.356 1 1 106 . 18 1 1 A 32 32 THR CA C 10 61.473 60.268 1.205 1 1 107 . 18 1 1 A 32 32 THR CB C 10 66.191 73.044 -6.853 1 1 109 . 18 1 1 A 32 32 THR N N 10 120.036 118.868 1.168 1 1 110 . 18 1 1 A 33 33 GLU H H 11 9.022 8.956 0.066 1 1 111 . 18 1 1 A 33 33 GLU HA H 11 4.731 4.811 -0.080 1 1 116 . 18 1 1 A 33 33 GLU C C 11 177.810 176.859 0.951 1 1 117 . 18 1 1 A 33 33 GLU CA C 11 57.466 55.372 2.094 1 1 118 . 18 1 1 A 33 33 GLU CB C 11 30.044 31.814 -1.770 1 1 120 . 18 1 1 A 33 33 GLU N N 11 126.859 124.257 2.602 1 1 121 . 18 1 1 A 34 34 SER H H 12 8.930 9.328 -0.398 1 1 122 . 18 1 1 A 34 34 SER HA H 12 4.795 4.102 0.693 1 1 125 . 18 1 1 A 34 34 SER C C 12 173.360 174.483 -1.123 1 1 126 . 18 1 1 A 34 34 SER CA C 12 56.842 59.009 -2.167 1 1 127 . 18 1 1 A 34 34 SER CB C 12 63.756 62.794 0.962 1 1 128 . 18 1 1 A 34 34 SER N N 12 119.717 118.531 1.186 1 1 129 . 18 1 1 A 35 35 ALA H H 13 8.756 7.763 0.993 1 1 130 . 18 1 1 A 35 35 ALA HA H 13 3.542 3.807 -0.265 1 1 134 . 18 1 1 A 35 35 ALA C C 13 178.560 179.109 -0.549 1 1 135 . 18 1 1 A 35 35 ALA CA C 13 56.288 55.047 1.241 1 1 136 . 18 1 1 A 35 35 ALA CB C 13 21.558 18.645 2.913 1 1 137 . 18 1 1 A 35 35 ALA N N 13 121.856 122.690 -0.834 1 1 138 . 18 1 1 A 36 36 ALA H H 14 8.442 8.097 0.345 1 1 139 . 18 1 1 A 36 36 ALA HA H 14 3.691 4.278 -0.587 1 1 143 . 18 1 1 A 36 36 ALA C C 14 179.900 179.568 0.332 1 1 144 . 18 1 1 A 36 36 ALA CA C 14 55.754 54.721 1.033 1 1 145 . 18 1 1 A 36 36 ALA CB C 14 17.368 18.290 -0.922 1 1 146 . 18 1 1 A 36 36 ALA N N 14 117.191 119.444 -2.253 1 1 147 . 18 1 1 A 37 37 ARG H H 15 7.513 7.357 0.156 1 1 148 . 18 1 1 A 37 37 ARG HA H 15 4.097 4.059 0.038 1 1 155 . 18 1 1 A 37 37 ARG C C 15 178.720 178.742 -0.022 1 1 156 . 18 1 1 A 37 37 ARG CA C 15 58.699 58.794 -0.095 1 1 157 . 18 1 1 A 37 37 ARG CB C 15 30.024 29.826 0.198 1 1 160 . 18 1 1 A 37 37 ARG N N 15 118.952 118.853 0.099 1 1 161 . 18 1 1 A 38 38 TYR H H 16 7.632 7.752 -0.120 1 1 162 . 18 1 1 A 38 38 TYR HA H 16 4.433 4.357 0.076 1 1 166 . 18 1 1 A 38 38 TYR C C 16 178.110 178.504 -0.394 1 1 167 . 18 1 1 A 38 38 TYR CA C 16 58.473 60.753 -2.280 1 1 168 . 18 1 1 A 38 38 TYR CB C 16 36.286 37.620 -1.334 1 1 169 . 18 1 1 A 38 38 TYR N N 16 118.516 119.604 -1.088 1 1 170 . 18 1 1 A 39 39 VAL H H 17 8.680 8.248 0.432 1 1 171 . 18 1 1 A 39 39 VAL HA H 17 3.491 3.742 -0.251 1 1 179 . 18 1 1 A 39 39 VAL C C 17 177.450 177.950 -0.500 1 1 180 . 18 1 1 A 39 39 VAL CA C 17 68.093 66.715 1.378 1 1 181 . 18 1 1 A 39 39 VAL CB C 17 31.943 31.274 0.669 1 1 184 . 18 1 1 A 39 39 VAL N N 17 119.126 120.195 -1.069 1 1 185 . 18 1 1 A 40 40 ASN H H 18 7.813 7.781 0.032 1 1 186 . 18 1 1 A 40 40 ASN HA H 18 4.280 4.484 -0.204 1 1 189 . 18 1 1 A 40 40 ASN C C 18 177.190 177.640 -0.450 1 1 190 . 18 1 1 A 40 40 ASN CA C 18 57.525 56.453 1.072 1 1 191 . 18 1 1 A 40 40 ASN CB C 18 39.474 37.944 1.530 1 1 192 . 18 1 1 A 40 40 ASN N N 18 118.013 117.047 0.966 1 1 193 . 18 1 1 A 41 41 ARG H H 19 8.425 8.500 -0.075 1 1 194 . 18 1 1 A 41 41 ARG HA H 19 4.010 4.093 -0.083 1 1 201 . 18 1 1 A 41 41 ARG C C 19 180.050 179.127 0.923 1 1 202 . 18 1 1 A 41 41 ARG CA C 19 59.734 58.841 0.893 1 1 203 . 18 1 1 A 41 41 ARG CB C 19 30.877 29.606 1.271 1 1 206 . 18 1 1 A 41 41 ARG N N 19 116.687 120.090 -3.403 1 1 207 . 18 1 1 A 42 42 LEU H H 20 8.731 8.393 0.338 1 1 208 . 18 1 1 A 42 42 LEU HA H 20 3.904 3.926 -0.022 1 1 218 . 18 1 1 A 42 42 LEU C C 20 178.690 178.607 0.083 1 1 219 . 18 1 1 A 42 42 LEU CA C 20 58.238 57.783 0.455 1 1 220 . 18 1 1 A 42 42 LEU CB C 20 41.659 41.765 -0.106 1 1 224 . 18 1 1 A 42 42 LEU N N 20 120.849 119.784 1.065 1 1 225 . 18 1 1 A 43 43 CYS H H 21 8.241 8.160 0.081 1 1 226 . 18 1 1 A 43 43 CYS HA H 21 4.268 4.121 0.147 1 1 229 . 18 1 1 A 43 43 CYS C C 21 177.530 176.865 0.665 1 1 230 . 18 1 1 A 43 43 CYS CA C 21 65.374 62.333 3.041 1 1 231 . 18 1 1 A 43 43 CYS CB C 21 27.962 27.291 0.671 1 1 232 . 18 1 1 A 43 43 CYS N N 21 115.952 117.679 -1.727 1 1 233 . 18 1 1 A 44 44 LYS H H 22 8.364 7.945 0.419 1 1 234 . 18 1 1 A 44 44 LYS HA H 22 4.091 4.181 -0.090 1 1 243 . 18 1 1 A 44 44 LYS C C 22 179.020 178.613 0.407 1 1 244 . 18 1 1 A 44 44 LYS CA C 22 59.004 57.921 1.083 1 1 245 . 18 1 1 A 44 44 LYS CB C 22 31.921 32.499 -0.578 1 1 249 . 18 1 1 A 44 44 LYS N N 22 119.823 120.580 -0.757 1 1 250 . 18 1 1 A 45 45 HIS H H 23 8.036 8.023 0.013 1 1 251 . 18 1 1 A 45 45 HIS HA H 23 4.408 4.040 0.368 1 1 255 . 18 1 1 A 45 45 HIS C C 23 177.870 176.686 1.184 1 1 256 . 18 1 1 A 45 45 HIS CA C 23 60.404 59.125 1.279 1 1 257 . 18 1 1 A 45 45 HIS CB C 23 30.954 30.321 0.633 1 1 258 . 18 1 1 A 45 45 HIS N N 23 118.729 120.893 -2.164 1 1 259 . 18 1 1 A 46 46 TRP H H 24 8.426 8.528 -0.102 1 1 260 . 18 1 1 A 46 46 TRP HA H 24 4.903 4.643 0.260 1 1 265 . 18 1 1 A 46 46 TRP C C 24 177.900 177.661 0.239 1 1 266 . 18 1 1 A 46 46 TRP CA C 24 58.973 59.163 -0.190 1 1 267 . 18 1 1 A 46 46 TRP CB C 24 29.328 29.118 0.210 1 1 268 . 18 1 1 A 46 46 TRP N N 24 117.297 116.655 0.642 1 1 270 . 18 1 1 A 47 47 GLY H H 25 8.254 8.134 0.120 1 1 271 . 18 1 1 A 47 47 GLY HA2 H 25 4.362 3.987 0.375 1 1 272 . 18 1 1 A 47 47 GLY HA3 H 25 3.936 4.057 -0.121 1 1 273 . 18 1 1 A 47 47 GLY CA C 25 46.812 47.353 -0.541 1 1 274 . 18 1 1 A 47 47 GLY N N 25 108.683 108.463 0.220 1 1 275 . 18 1 1 A 48 48 HIS C C 26 176.030 175.196 0.834 1 1 276 . 18 1 1 A 48 48 HIS CA C 26 58.358 57.567 0.791 1 1 277 . 18 1 1 A 48 48 HIS CB C 26 30.438 31.175 -0.737 1 1 278 . 18 1 1 A 49 49 LYS H H 27 7.544 7.975 -0.431 1 1 279 . 18 1 1 A 49 49 LYS HA H 27 4.236 4.445 -0.209 1 1 288 . 18 1 1 A 49 49 LYS C C 27 174.880 174.579 0.301 1 1 289 . 18 1 1 A 49 49 LYS CA C 27 56.572 55.556 1.016 1 1 290 . 18 1 1 A 49 49 LYS CB C 27 35.793 33.592 2.201 1 1 294 . 18 1 1 A 49 49 LYS N N 27 117.278 119.126 -1.848 1 1 295 . 18 1 1 A 50 50 PHE H H 28 8.178 7.741 0.437 1 1 296 . 18 1 1 A 50 50 PHE HA H 28 5.016 5.149 -0.133 1 1 301 . 18 1 1 A 50 50 PHE C C 28 174.190 174.751 -0.561 1 1 302 . 18 1 1 A 50 50 PHE CA C 28 55.756 56.178 -0.422 1 1 303 . 18 1 1 A 50 50 PHE CB C 28 41.140 43.158 -2.018 1 1 304 . 18 1 1 A 50 50 PHE N N 28 118.846 119.585 -0.739 1 1 305 . 18 1 1 A 51 51 GLU H H 29 7.812 8.504 -0.692 1 1 306 . 18 1 1 A 51 51 GLU HA H 29 4.449 4.580 -0.131 1 1 311 . 18 1 1 A 51 51 GLU C C 29 175.570 176.027 -0.457 1 1 312 . 18 1 1 A 51 51 GLU CA C 29 56.852 56.166 0.686 1 1 313 . 18 1 1 A 51 51 GLU CB C 29 30.207 28.890 1.317 1 1 315 . 18 1 1 A 51 51 GLU N N 29 120.355 122.008 -1.653 1 1 316 . 18 1 1 A 52 52 VAL H H 30 8.395 8.486 -0.091 1 1 317 . 18 1 1 A 52 52 VAL HA H 30 5.383 5.515 -0.132 1 1 325 . 18 1 1 A 52 52 VAL C C 30 175.850 174.604 1.246 1 1 326 . 18 1 1 A 52 52 VAL CA C 30 59.969 60.831 -0.862 1 1 327 . 18 1 1 A 52 52 VAL CB C 30 36.173 33.743 2.430 1 1 330 . 18 1 1 A 52 52 VAL N N 30 124.120 121.227 2.893 1 1 331 . 18 1 1 A 53 53 GLU H H 31 9.289 9.198 0.091 1 1 332 . 18 1 1 A 53 53 GLU HA H 31 4.717 4.999 -0.282 1 1 337 . 18 1 1 A 53 53 GLU C C 31 174.370 175.295 -0.925 1 1 338 . 18 1 1 A 53 53 GLU CA C 31 55.415 55.986 -0.571 1 1 339 . 18 1 1 A 53 53 GLU CB C 31 33.211 32.177 1.034 1 1 341 . 18 1 1 A 53 53 GLU N N 31 126.346 126.943 -0.597 1 1 342 . 18 1 1 A 54 54 LEU H H 32 8.763 8.673 0.090 1 1 343 . 18 1 1 A 54 54 LEU HA H 32 5.375 5.035 0.340 1 1 353 . 18 1 1 A 54 54 LEU C C 32 175.100 175.320 -0.220 1 1 354 . 18 1 1 A 54 54 LEU CA C 32 55.010 54.278 0.732 1 1 355 . 18 1 1 A 54 54 LEU CB C 32 45.485 45.348 0.137 1 1 359 . 18 1 1 A 54 54 LEU N N 32 126.898 124.426 2.472 1 1 360 . 18 1 1 A 55 55 THR H H 33 9.159 8.359 0.800 1 1 361 . 18 1 1 A 55 55 THR HA H 33 4.886 5.044 -0.158 1 1 366 . 18 1 1 A 55 55 THR CA C 33 59.489 58.426 1.063 1 1 367 . 18 1 1 A 55 55 THR CB C 33 69.241 69.853 -0.612 1 1 369 . 18 1 1 A 55 55 THR N N 33 121.246 117.218 4.028 1 1 370 . 18 1 1 A 56 56 PRO HA H 34 4.269 4.600 -0.331 1 1 377 . 18 1 1 A 56 56 PRO C C 34 177.750 175.702 2.048 1 1 378 . 18 1 1 A 56 56 PRO CA C 34 65.968 62.835 3.133 1 1 379 . 18 1 1 A 56 56 PRO CB C 34 31.786 29.596 2.190 1 1 382 . 18 1 1 A 57 57 GLU H H 35 8.148 8.757 -0.609 1 1 383 . 18 1 1 A 57 57 GLU HA H 35 4.351 4.533 -0.182 1 1 388 . 18 1 1 A 57 57 GLU C C 35 175.720 175.799 -0.079 1 1 389 . 18 1 1 A 57 57 GLU CA C 35 57.085 56.870 0.215 1 1 390 . 18 1 1 A 57 57 GLU CB C 35 30.299 32.277 -1.978 1 1 392 . 18 1 1 A 57 57 GLU N N 35 112.303 120.421 -8.118 1 1 393 . 18 1 1 A 58 58 ARG H H 36 7.777 7.474 0.303 1 1 394 . 18 1 1 A 58 58 ARG HA H 36 5.418 5.095 0.323 1 1 401 . 18 1 1 A 58 58 ARG C C 36 173.610 173.897 -0.287 1 1 402 . 18 1 1 A 58 58 ARG CA C 36 55.576 55.008 0.568 1 1 403 . 18 1 1 A 58 58 ARG CB C 36 33.324 32.623 0.701 1 1 406 . 18 1 1 A 58 58 ARG N N 36 122.018 115.371 6.647 1 1 407 . 18 1 1 A 59 59 GLY H H 37 9.650 8.766 0.884 1 1 408 . 18 1 1 A 59 59 GLY HA2 H 37 5.484 4.329 1.155 1 1 409 . 18 1 1 A 59 59 GLY HA3 H 37 3.554 4.336 -0.782 1 1 410 . 18 1 1 A 59 59 GLY C C 37 171.630 171.949 -0.319 1 1 411 . 18 1 1 A 59 59 GLY CA C 37 44.563 44.155 0.408 1 1 412 . 18 1 1 A 59 59 GLY N N 37 113.745 106.999 6.746 1 1 413 . 18 1 1 A 60 60 PHE H H 38 9.138 8.574 0.564 1 1 414 . 18 1 1 A 60 60 PHE HA H 38 5.472 5.260 0.212 1 1 419 . 18 1 1 A 60 60 PHE C C 38 173.180 174.049 -0.869 1 1 420 . 18 1 1 A 60 60 PHE CA C 38 57.234 56.252 0.982 1 1 421 . 18 1 1 A 60 60 PHE CB C 38 43.107 41.682 1.425 1 1 422 . 18 1 1 A 60 60 PHE N N 38 124.144 123.235 0.909 1 1 423 . 18 1 1 A 61 61 ILE H H 39 8.618 8.899 -0.281 1 1 424 . 18 1 1 A 61 61 ILE HA H 39 4.226 4.721 -0.495 1 1 434 . 18 1 1 A 61 61 ILE C C 39 172.950 174.085 -1.135 1 1 435 . 18 1 1 A 61 61 ILE CA C 39 60.357 60.586 -0.229 1 1 436 . 18 1 1 A 61 61 ILE CB C 39 41.488 39.560 1.928 1 1 440 . 18 1 1 A 61 61 ILE N N 39 126.753 127.906 -1.153 1 1 441 . 18 1 1 A 62 62 ASP H H 40 8.192 8.001 0.191 1 1 442 . 18 1 1 A 62 62 ASP HA H 40 4.464 5.210 -0.746 1 1 445 . 18 1 1 A 62 62 ASP C C 40 176.240 176.388 -0.148 1 1 446 . 18 1 1 A 62 62 ASP CA C 40 52.208 52.166 0.042 1 1 447 . 18 1 1 A 62 62 ASP CB C 40 41.489 43.342 -1.853 1 1 448 . 18 1 1 A 62 62 ASP N N 40 124.314 128.242 -3.928 1 1 449 . 18 1 1 A 63 63 PHE H H 41 8.165 9.163 -0.998 1 1 450 . 18 1 1 A 63 63 PHE HA H 41 4.007 4.578 -0.571 1 1 454 . 18 1 1 A 63 63 PHE C C 41 175.640 175.826 -0.186 1 1 455 . 18 1 1 A 63 63 PHE CA C 41 58.407 59.745 -1.338 1 1 456 . 18 1 1 A 63 63 PHE CB C 41 38.486 39.734 -1.248 1 1 457 . 18 1 1 A 63 63 PHE N N 41 123.395 122.138 1.257 1 1 458 . 18 1 1 A 64 64 GLY H H 42 9.003 7.134 1.869 1 1 459 . 18 1 1 A 64 64 GLY HA2 H 42 4.675 4.104 0.571 1 1 460 . 18 1 1 A 64 64 GLY HA3 H 42 3.484 4.118 -0.634 1 1 461 . 18 1 1 A 64 64 GLY CA C 42 45.938 45.277 0.661 1 1 462 . 18 1 1 A 64 64 GLY N N 42 112.196 107.080 5.116 1 1 463 . 18 1 1 A 65 65 ASP HA H 43 4.675 4.452 0.223 1 1 466 . 18 1 1 A 65 65 ASP C C 43 176.170 175.618 0.552 1 1 467 . 18 1 1 A 65 65 ASP CA C 43 55.415 56.249 -0.834 1 1 468 . 18 1 1 A 65 65 ASP CB C 43 41.379 41.359 0.020 1 1 469 . 18 1 1 A 66 66 SER H H 44 7.743 7.837 -0.094 1 1 470 . 18 1 1 A 66 66 SER HA H 44 5.292 5.094 0.198 1 1 473 . 18 1 1 A 66 66 SER C C 44 172.190 173.074 -0.884 1 1 474 . 18 1 1 A 66 66 SER CA C 44 57.890 56.066 1.824 1 1 475 . 18 1 1 A 66 66 SER CB C 44 66.054 66.035 0.019 1 1 476 . 18 1 1 A 66 66 SER N N 44 112.796 111.338 1.458 1 1 477 . 18 1 1 A 67 67 ASN H H 45 9.075 8.781 0.294 1 1 478 . 18 1 1 A 67 67 ASN HA H 45 5.126 5.273 -0.147 1 1 481 . 18 1 1 A 67 67 ASN C C 45 172.300 173.395 -1.095 1 1 482 . 18 1 1 A 67 67 ASN CA C 45 52.997 51.759 1.238 1 1 483 . 18 1 1 A 67 67 ASN CB C 45 42.047 43.579 -1.532 1 1 484 . 18 1 1 A 67 67 ASN N N 45 114.955 118.152 -3.197 1 1 485 . 18 1 1 A 68 68 CYS H H 46 8.757 8.335 0.422 1 1 486 . 18 1 1 A 68 68 CYS HA H 46 5.652 5.184 0.468 1 1 489 . 18 1 1 A 68 68 CYS C C 46 170.650 172.848 -2.198 1 1 490 . 18 1 1 A 68 68 CYS CA C 46 56.668 58.300 -1.632 1 1 491 . 18 1 1 A 68 68 CYS CB C 46 31.195 29.660 1.535 1 1 492 . 18 1 1 A 68 68 CYS N N 46 119.184 118.267 0.917 1 1 493 . 18 1 1 A 69 69 GLU H H 47 9.587 9.225 0.362 1 1 494 . 18 1 1 A 69 69 GLU HA H 47 5.283 5.589 -0.306 1 1 499 . 18 1 1 A 69 69 GLU C C 47 174.190 175.077 -0.887 1 1 500 . 18 1 1 A 69 69 GLU CA C 47 54.401 55.444 -1.043 1 1 501 . 18 1 1 A 69 69 GLU CB C 47 33.607 32.156 1.451 1 1 503 . 18 1 1 A 69 69 GLU N N 47 131.612 127.455 4.157 1 1 504 . 18 1 1 A 70 70 LEU H H 48 9.523 8.691 0.832 1 1 505 . 18 1 1 A 70 70 LEU HA H 48 5.314 4.949 0.365 1 1 515 . 18 1 1 A 70 70 LEU C C 48 174.730 173.750 0.980 1 1 516 . 18 1 1 A 70 70 LEU CA C 48 53.570 54.433 -0.863 1 1 517 . 18 1 1 A 70 70 LEU CB C 48 46.109 45.993 0.116 1 1 521 . 18 1 1 A 70 70 LEU N N 48 125.069 124.800 0.269 1 1 522 . 18 1 1 A 71 71 LEU H H 49 9.493 9.558 -0.065 1 1 523 . 18 1 1 A 71 71 LEU HA H 49 5.001 5.127 -0.126 1 1 533 . 18 1 1 A 71 71 LEU C C 49 175.310 175.061 0.249 1 1 534 . 18 1 1 A 71 71 LEU CA C 49 53.809 53.803 0.006 1 1 535 . 18 1 1 A 71 71 LEU CB C 49 42.880 44.194 -1.314 1 1 539 . 18 1 1 A 71 71 LEU N N 49 123.714 128.989 -5.275 1 1 540 . 18 1 1 A 72 72 ALA H H 50 8.255 8.420 -0.165 1 1 541 . 18 1 1 A 72 72 ALA HA H 50 4.307 5.163 -0.856 1 1 545 . 18 1 1 A 72 72 ALA C C 50 174.800 175.312 -0.512 1 1 546 . 18 1 1 A 72 72 ALA CA C 50 51.618 51.488 0.130 1 1 547 . 18 1 1 A 72 72 ALA CB C 50 18.634 21.451 -2.817 1 1 548 . 18 1 1 A 72 72 ALA N N 50 125.398 128.117 -2.719 1 1 549 . 18 1 1 A 73 73 HIS H H 51 8.053 9.551 -1.498 1 1 550 . 18 1 1 A 73 73 HIS HA H 51 4.953 4.924 0.029 1 1 554 . 18 1 1 A 73 73 HIS CA C 51 54.682 53.906 0.776 1 1 555 . 18 1 1 A 73 73 HIS CB C 51 31.150 32.257 -1.107 1 1 556 . 18 1 1 A 73 73 HIS N N 51 123.172 123.865 -0.693 1 1 557 . 18 1 1 A 74 74 PRO HA H 52 4.385 4.080 0.305 1 1 564 . 18 1 1 A 74 74 PRO C C 52 176.370 176.666 -0.296 1 1 565 . 18 1 1 A 74 74 PRO CA C 52 65.625 64.981 0.644 1 1 566 . 18 1 1 A 74 74 PRO CB C 52 32.014 31.806 0.208 1 1 569 . 18 1 1 A 75 75 ASP H H 53 8.303 8.143 0.160 1 1 570 . 18 1 1 A 75 75 ASP HA H 53 4.955 5.251 -0.296 1 1 573 . 18 1 1 A 75 75 ASP C C 53 177.380 175.310 2.070 1 1 574 . 18 1 1 A 75 75 ASP CA C 53 52.034 54.141 -2.107 1 1 575 . 18 1 1 A 75 75 ASP CB C 53 41.826 42.531 -0.705 1 1 576 . 18 1 1 A 75 75 ASP N N 53 109.961 115.736 -5.775 1 1 577 . 18 1 1 A 76 76 HIS H H 54 7.379 7.288 0.091 1 1 578 . 18 1 1 A 76 76 HIS HA H 54 5.421 5.500 -0.079 1 1 582 . 18 1 1 A 76 76 HIS C C 54 172.470 172.856 -0.386 1 1 583 . 18 1 1 A 76 76 HIS CA C 54 56.943 54.338 2.605 1 1 584 . 18 1 1 A 76 76 HIS CB C 54 29.909 33.927 -4.018 1 1 585 . 18 1 1 A 76 76 HIS N N 54 114.752 116.484 -1.732 1 1 586 . 18 1 1 A 77 77 VAL H H 55 8.933 8.653 0.280 1 1 587 . 18 1 1 A 77 77 VAL HA H 55 4.837 5.113 -0.276 1 1 595 . 18 1 1 A 77 77 VAL C C 55 173.420 173.957 -0.537 1 1 596 . 18 1 1 A 77 77 VAL CA C 55 59.429 59.949 -0.520 1 1 597 . 18 1 1 A 77 77 VAL CB C 55 35.121 35.609 -0.488 1 1 600 . 18 1 1 A 77 77 VAL N N 55 117.287 119.730 -2.443 1 1 601 . 18 1 1 A 78 78 LEU H H 56 9.004 9.551 -0.547 1 1 602 . 18 1 1 A 78 78 LEU HA H 56 5.466 5.294 0.172 1 1 612 . 18 1 1 A 78 78 LEU C C 56 175.140 175.992 -0.852 1 1 613 . 18 1 1 A 78 78 LEU CA C 56 53.084 53.749 -0.665 1 1 614 . 18 1 1 A 78 78 LEU CB C 56 44.499 45.344 -0.845 1 1 618 . 18 1 1 A 78 78 LEU N N 56 130.334 128.131 2.203 1 1 619 . 18 1 1 A 79 79 MET H H 57 9.381 8.893 0.488 1 1 620 . 18 1 1 A 79 79 MET HA H 57 5.678 5.328 0.350 1 1 625 . 18 1 1 A 79 79 MET C C 57 175.160 174.688 0.472 1 1 626 . 18 1 1 A 79 79 MET CA C 57 54.216 54.347 -0.131 1 1 627 . 18 1 1 A 79 79 MET CB C 57 37.309 35.166 2.143 1 1 629 . 18 1 1 A 79 79 MET N N 57 124.304 121.957 2.347 1 1 630 . 18 1 1 A 80 80 ILE H H 58 9.552 8.740 0.812 1 1 631 . 18 1 1 A 80 80 ILE HA H 58 4.957 5.140 -0.183 1 1 641 . 18 1 1 A 80 80 ILE C C 58 175.160 175.493 -0.333 1 1 642 . 18 1 1 A 80 80 ILE CA C 58 61.338 60.049 1.289 1 1 643 . 18 1 1 A 80 80 ILE CB C 58 41.092 41.422 -0.330 1 1 647 . 18 1 1 A 80 80 ILE N N 58 122.359 124.682 -2.323 1 1 648 . 18 1 1 A 81 81 LEU H H 59 9.549 9.145 0.404 1 1 649 . 18 1 1 A 81 81 LEU HA H 59 5.274 5.268 0.006 1 1 659 . 18 1 1 A 81 81 LEU C C 59 174.280 174.968 -0.688 1 1 660 . 18 1 1 A 81 81 LEU CA C 59 53.621 52.621 1.000 1 1 661 . 18 1 1 A 81 81 LEU CB C 59 46.837 45.635 1.202 1 1 665 . 18 1 1 A 81 81 LEU N N 59 131.901 124.624 7.277 1 1 666 . 18 1 1 A 82 82 ASN H H 60 8.516 8.497 0.019 1 1 667 . 18 1 1 A 82 82 ASN HA H 60 5.851 5.332 0.519 1 1 670 . 18 1 1 A 82 82 ASN C C 60 174.840 174.006 0.834 1 1 671 . 18 1 1 A 82 82 ASN CA C 60 52.549 51.867 0.682 1 1 672 . 18 1 1 A 82 82 ASN CB C 60 43.188 40.158 3.030 1 1 673 . 18 1 1 A 82 82 ASN N N 60 120.142 120.855 -0.713 1 1 674 . 18 1 1 A 83 83 SER H H 61 9.176 8.407 0.769 1 1 675 . 18 1 1 A 83 83 SER HA H 61 5.295 4.909 0.386 1 1 678 . 18 1 1 A 83 83 SER CA C 61 57.388 55.622 1.766 1 1 679 . 18 1 1 A 83 83 SER CB C 61 68.052 66.004 2.048 1 1 680 . 18 1 1 A 83 83 SER N N 61 116.871 121.125 -4.254 1 1 681 . 18 1 1 A 84 84 PRO HA H 62 4.907 4.011 0.896 1 1 688 . 18 1 1 A 84 84 PRO C C 62 175.210 175.018 0.192 1 1 689 . 18 1 1 A 84 84 PRO CA C 62 64.539 63.679 0.860 1 1 690 . 18 1 1 A 84 84 PRO CB C 62 32.726 31.649 1.077 1 1 693 . 18 1 1 A 85 85 ASP H H 63 7.228 7.642 -0.414 1 1 694 . 18 1 1 A 85 85 ASP HA H 63 4.630 5.222 -0.592 1 1 697 . 18 1 1 A 85 85 ASP C C 63 174.540 175.881 -1.341 1 1 698 . 18 1 1 A 85 85 ASP CA C 63 53.119 53.480 -0.361 1 1 699 . 18 1 1 A 85 85 ASP CB C 63 42.880 43.235 -0.355 1 1 700 . 18 1 1 A 85 85 ASP N N 63 112.313 118.129 -5.816 1 1 701 . 18 1 1 A 86 86 GLU H H 64 8.761 9.507 -0.746 1 1 702 . 18 1 1 A 86 86 GLU HA H 64 3.321 4.133 -0.812 1 1 707 . 18 1 1 A 86 86 GLU C C 64 178.440 178.636 -0.196 1 1 708 . 18 1 1 A 86 86 GLU CA C 64 59.937 59.632 0.305 1 1 709 . 18 1 1 A 86 86 GLU CB C 64 29.707 29.550 0.157 1 1 711 . 18 1 1 A 86 86 GLU N N 64 120.055 125.166 -5.111 1 1 712 . 18 1 1 A 87 87 ASP H H 65 8.332 8.162 0.170 1 1 713 . 18 1 1 A 87 87 ASP HA H 65 4.414 4.366 0.048 1 1 716 . 18 1 1 A 87 87 ASP C C 65 179.400 178.643 0.757 1 1 717 . 18 1 1 A 87 87 ASP CA C 65 57.203 57.681 -0.478 1 1 718 . 18 1 1 A 87 87 ASP CB C 65 40.323 41.346 -1.023 1 1 719 . 18 1 1 A 87 87 ASP N N 65 121.933 120.283 1.650 1 1 720 . 18 1 1 A 88 88 SER H H 66 8.949 8.194 0.755 1 1 721 . 18 1 1 A 88 88 SER HA H 66 4.169 4.271 -0.102 1 1 724 . 18 1 1 A 88 88 SER C C 66 176.110 176.271 -0.161 1 1 725 . 18 1 1 A 88 88 SER CA C 66 62.032 62.454 -0.422 1 1 726 . 18 1 1 A 88 88 SER CB C 66 62.178 63.042 -0.864 1 1 727 . 18 1 1 A 88 88 SER N N 66 119.726 116.643 3.083 1 1 728 . 18 1 1 A 89 89 LEU H H 67 7.737 8.839 -1.102 1 1 729 . 18 1 1 A 89 89 LEU HA H 67 4.017 4.469 -0.452 1 1 739 . 18 1 1 A 89 89 LEU C C 67 177.790 178.217 -0.427 1 1 740 . 18 1 1 A 89 89 LEU CA C 67 57.958 58.423 -0.465 1 1 741 . 18 1 1 A 89 89 LEU CB C 67 42.394 42.237 0.157 1 1 745 . 18 1 1 A 89 89 LEU N N 67 122.942 122.796 0.146 1 1 746 . 18 1 1 A 90 90 ALA H H 68 7.483 9.408 -1.925 1 1 747 . 18 1 1 A 90 90 ALA HA H 68 3.780 4.179 -0.399 1 1 751 . 18 1 1 A 90 90 ALA C C 68 180.410 179.631 0.779 1 1 752 . 18 1 1 A 90 90 ALA CA C 68 54.782 54.831 -0.049 1 1 753 . 18 1 1 A 90 90 ALA CB C 68 17.857 18.576 -0.719 1 1 754 . 18 1 1 A 90 90 ALA N N 68 119.446 120.344 -0.898 1 1 755 . 18 1 1 A 91 91 HIS H H 69 7.707 8.210 -0.503 1 1 756 . 18 1 1 A 91 91 HIS HA H 69 4.377 4.189 0.188 1 1 760 . 18 1 1 A 91 91 HIS C C 69 177.865 177.136 0.729 1 1 761 . 18 1 1 A 91 91 HIS CA C 69 59.518 59.749 -0.231 1 1 762 . 18 1 1 A 91 91 HIS CB C 69 30.954 29.558 1.396 1 1 763 . 18 1 1 A 91 91 HIS N N 69 116.881 117.890 -1.009 1 1 764 . 18 1 1 A 92 92 MET H H 70 8.467 8.356 0.111 1 1 765 . 18 1 1 A 92 92 MET HA H 70 4.087 4.065 0.022 1 1 770 . 18 1 1 A 92 92 MET C C 70 178.390 178.153 0.237 1 1 771 . 18 1 1 A 92 92 MET CA C 70 55.584 58.663 -3.079 1 1 772 . 18 1 1 A 92 92 MET CB C 70 29.773 33.458 -3.685 1 1 774 . 18 1 1 A 92 92 MET N N 70 116.968 116.984 -0.016 1 1 775 . 18 1 1 A 93 93 GLN H H 71 8.309 8.333 -0.024 1 1 776 . 18 1 1 A 93 93 GLN HA H 71 2.874 4.079 -1.205 1 1 781 . 18 1 1 A 93 93 GLN C C 71 178.420 178.202 0.218 1 1 782 . 18 1 1 A 93 93 GLN CA C 71 58.852 58.647 0.205 1 1 783 . 18 1 1 A 93 93 GLN CB C 71 27.658 28.016 -0.358 1 1 785 . 18 1 1 A 93 93 GLN N N 71 120.665 117.159 3.506 1 1 786 . 18 1 1 A 94 94 ASN H H 72 6.899 8.386 -1.487 1 1 787 . 18 1 1 A 94 94 ASN HA H 72 4.596 4.510 0.086 1 1 790 . 18 1 1 A 94 94 ASN C C 72 177.380 177.694 -0.314 1 1 791 . 18 1 1 A 94 94 ASN CA C 72 56.037 56.232 -0.195 1 1 792 . 18 1 1 A 94 94 ASN CB C 72 38.219 38.561 -0.342 1 1 793 . 18 1 1 A 94 94 ASN N N 72 116.271 119.093 -2.822 1 1 794 . 18 1 1 A 95 95 VAL H H 73 8.050 7.673 0.377 1 1 795 . 18 1 1 A 95 95 VAL HA H 73 3.983 3.511 0.472 1 1 803 . 18 1 1 A 95 95 VAL C C 73 180.050 178.190 1.860 1 1 804 . 18 1 1 A 95 95 VAL CA C 73 66.515 66.185 0.330 1 1 805 . 18 1 1 A 95 95 VAL CB C 73 32.587 31.506 1.081 1 1 808 . 18 1 1 A 95 95 VAL N N 73 121.798 119.756 2.042 1 1 809 . 18 1 1 A 96 96 VAL H H 74 9.082 7.683 1.399 1 1 810 . 18 1 1 A 96 96 VAL HA H 74 3.986 2.880 1.106 1 1 818 . 18 1 1 A 96 96 VAL C C 74 177.490 178.011 -0.521 1 1 819 . 18 1 1 A 96 96 VAL CA C 74 67.947 66.095 1.852 1 1 820 . 18 1 1 A 96 96 VAL CB C 74 31.966 31.331 0.635 1 1 823 . 18 1 1 A 96 96 VAL N N 74 120.549 120.604 -0.055 1 1 824 . 18 1 1 A 97 97 ALA H H 75 8.285 7.741 0.544 1 1 825 . 18 1 1 A 97 97 ALA HA H 75 4.108 3.929 0.179 1 1 829 . 18 1 1 A 97 97 ALA C C 75 179.320 179.268 0.052 1 1 830 . 18 1 1 A 97 97 ALA CA C 75 56.117 54.863 1.254 1 1 831 . 18 1 1 A 97 97 ALA CB C 75 19.867 18.422 1.445 1 1 832 . 18 1 1 A 97 97 ALA N N 75 120.375 121.593 -1.218 1 1 833 . 18 1 1 A 98 98 ASP H H 76 8.522 7.581 0.941 1 1 834 . 18 1 1 A 98 98 ASP HA H 76 4.356 4.349 0.007 1 1 837 . 18 1 1 A 98 98 ASP C C 76 179.100 178.537 0.563 1 1 838 . 18 1 1 A 98 98 ASP CA C 76 57.252 57.239 0.013 1 1 839 . 18 1 1 A 98 98 ASP CB C 76 41.335 41.132 0.203 1 1 840 . 18 1 1 A 98 98 ASP N N 76 116.871 118.438 -1.567 1 1 841 . 18 1 1 A 99 99 HIS H H 77 8.162 7.764 0.398 1 1 842 . 18 1 1 A 99 99 HIS HA H 77 3.847 4.353 -0.506 1 1 846 . 18 1 1 A 99 99 HIS C C 77 177.440 177.988 -0.548 1 1 847 . 18 1 1 A 99 99 HIS CA C 77 61.636 59.458 2.178 1 1 848 . 18 1 1 A 99 99 HIS CB C 77 29.328 29.937 -0.609 1 1 849 . 18 1 1 A 99 99 HIS N N 77 116.758 118.833 -2.075 1 1 850 . 18 1 1 A 100 100 LEU H H 78 8.718 8.349 0.369 1 1 851 . 18 1 1 A 100 100 LEU HA H 78 3.862 3.933 -0.071 1 1 861 . 18 1 1 A 100 100 LEU C C 78 177.720 179.467 -1.747 1 1 862 . 18 1 1 A 100 100 LEU CA C 78 58.746 57.431 1.315 1 1 863 . 18 1 1 A 100 100 LEU CB C 78 40.324 41.048 -0.724 1 1 867 . 18 1 1 A 100 100 LEU N N 78 120.332 119.281 1.051 1 1 868 . 18 1 1 A 101 101 GLN H H 79 8.167 8.191 -0.024 1 1 869 . 18 1 1 A 101 101 GLN HA H 79 3.973 4.009 -0.036 1 1 874 . 18 1 1 A 101 101 GLN C C 79 178.990 178.600 0.390 1 1 875 . 18 1 1 A 101 101 GLN CA C 79 58.359 58.863 -0.504 1 1 876 . 18 1 1 A 101 101 GLN CB C 79 29.575 28.591 0.984 1 1 878 . 18 1 1 A 101 101 GLN N N 79 115.715 120.077 -4.362 1 1 879 . 18 1 1 A 102 102 ARG H H 80 7.835 7.771 0.064 1 1 880 . 18 1 1 A 102 102 ARG HA H 80 3.990 3.983 0.007 1 1 887 . 18 1 1 A 102 102 ARG C C 80 178.540 178.548 -0.008 1 1 888 . 18 1 1 A 102 102 ARG CA C 80 58.789 58.977 -0.188 1 1 889 . 18 1 1 A 102 102 ARG CB C 80 30.218 30.006 0.212 1 1 892 . 18 1 1 A 102 102 ARG N N 80 118.207 120.748 -2.541 1 1 893 . 18 1 1 A 103 103 MET H H 81 7.645 8.056 -0.411 1 1 894 . 18 1 1 A 103 103 MET HA H 81 4.353 4.203 0.150 1 1 899 . 18 1 1 A 103 103 MET C C 81 176.300 175.851 0.449 1 1 900 . 18 1 1 A 103 103 MET CA C 81 55.646 56.669 -1.023 1 1 901 . 18 1 1 A 103 103 MET CB C 81 32.620 32.081 0.539 1 1 903 . 18 1 1 A 103 103 MET N N 81 116.250 115.322 0.928 1 1 904 . 18 1 1 A 104 104 ALA H H 82 7.324 7.834 -0.510 1 1 905 . 18 1 1 A 104 104 ALA HA H 82 4.386 4.726 -0.340 1 1 909 . 18 1 1 A 104 104 ALA CA C 82 51.004 50.885 0.119 1 1 910 . 18 1 1 A 104 104 ALA CB C 82 17.678 20.485 -2.807 1 1 911 . 18 1 1 A 104 104 ALA N N 82 123.602 122.348 1.254 1 1 912 . 18 1 1 A 106 106 SER HA H 84 4.610 4.606 0.004 1 1 915 . 18 1 1 A 106 106 SER C C 84 173.480 173.480 0.000 1 1 916 . 18 1 1 A 106 106 SER CA C 84 58.041 59.284 -1.243 1 1 917 . 18 1 1 A 106 106 SER CB C 84 64.139 65.788 -1.649 1 1 918 . 18 1 1 A 107 107 GLU H H 85 7.443 7.795 -0.352 1 1 919 . 18 1 1 A 107 107 GLU HA H 85 4.640 4.684 -0.044 1 1 924 . 18 1 1 A 107 107 GLU CA C 85 55.058 55.055 0.003 1 1 925 . 18 1 1 A 107 107 GLU CB C 85 32.203 32.275 -0.072 1 1 927 . 18 1 1 A 107 107 GLU N N 85 119.316 117.469 1.847 1 1 928 . 18 1 1 A 108 108 SER HA H 86 4.549 4.851 -0.302 1 1 931 . 18 1 1 A 108 108 SER C C 86 174.220 173.906 0.314 1 1 932 . 18 1 1 A 108 108 SER CA C 86 57.291 57.896 -0.605 1 1 933 . 18 1 1 A 108 108 SER CB C 86 62.819 61.331 1.488 1 1 934 . 18 1 1 A 109 109 LEU H H 87 9.011 8.482 0.529 1 1 935 . 18 1 1 A 109 109 LEU HA H 87 4.606 3.909 0.697 1 1 945 . 18 1 1 A 109 109 LEU C C 87 176.720 176.192 0.528 1 1 946 . 18 1 1 A 109 109 LEU CA C 87 54.024 55.603 -1.579 1 1 947 . 18 1 1 A 109 109 LEU CB C 87 43.358 40.742 2.616 1 1 951 . 18 1 1 A 109 109 LEU N N 87 126.582 121.849 4.733 1 1 952 . 18 1 1 A 110 110 GLU H H 88 8.530 8.847 -0.317 1 1 953 . 18 1 1 A 110 110 GLU HA H 88 4.541 4.492 0.049 1 1 958 . 18 1 1 A 110 110 GLU C C 88 175.340 175.954 -0.614 1 1 959 . 18 1 1 A 110 110 GLU CA C 88 55.555 56.470 -0.915 1 1 960 . 18 1 1 A 110 110 GLU CB C 88 29.970 29.943 0.027 1 1 962 . 18 1 1 A 110 110 GLU N N 88 123.263 125.899 -2.636 1 1 963 . 18 1 1 A 111 111 ILE H H 89 8.842 8.403 0.439 1 1 964 . 18 1 1 A 111 111 ILE HA H 89 3.911 4.935 -1.024 1 1 974 . 18 1 1 A 111 111 ILE C C 89 173.250 174.013 -0.763 1 1 975 . 18 1 1 A 111 111 ILE CA C 89 61.207 59.212 1.995 1 1 976 . 18 1 1 A 111 111 ILE CB C 89 38.989 41.137 -2.148 1 1 980 . 18 1 1 A 111 111 ILE N N 89 128.558 121.769 6.789 1 1 981 . 18 1 1 A 112 112 ALA H H 90 8.651 8.923 -0.272 1 1 982 . 18 1 1 A 112 112 ALA HA H 90 4.733 5.005 -0.272 1 1 986 . 18 1 1 A 112 112 ALA C C 90 177.040 176.799 0.241 1 1 987 . 18 1 1 A 112 112 ALA CA C 90 50.598 50.360 0.238 1 1 988 . 18 1 1 A 112 112 ALA CB C 90 21.517 20.100 1.417 1 1 989 . 18 1 1 A 112 112 ALA N N 90 131.215 128.297 2.918 1 1 990 . 18 1 1 A 113 113 TRP H H 91 9.084 8.985 0.099 1 1 991 . 18 1 1 A 113 113 TRP HA H 91 5.129 5.211 -0.082 1 1 996 . 18 1 1 A 113 113 TRP C C 91 176.725 176.321 0.404 1 1 997 . 18 1 1 A 113 113 TRP CA C 91 56.263 55.494 0.769 1 1 998 . 18 1 1 A 113 113 TRP CB C 91 31.282 31.128 0.154 1 1 999 . 18 1 1 A 113 113 TRP N N 91 125.391 124.557 0.834 1 1 1001 . 18 1 1 A 114 114 GLN H H 92 9.712 9.183 0.529 1 1 1002 . 18 1 1 A 114 114 GLN HA H 92 5.078 4.584 0.494 1 1 1007 . 18 1 1 A 114 114 GLN CA C 92 52.872 54.190 -1.318 1 1 1008 . 18 1 1 A 114 114 GLN CB C 92 30.288 28.400 1.888 1 1 1010 . 18 1 1 A 114 114 GLN N N 92 122.696 121.207 1.489 1 1 1011 . 18 1 1 A 115 115 PRO HA H 93 4.689 4.129 0.560 1 1 1018 . 18 1 1 A 115 115 PRO C C 93 176.690 176.912 -0.222 1 1 1019 . 18 1 1 A 115 115 PRO CA C 93 63.246 65.071 -1.825 1 1 1020 . 18 1 1 A 115 115 PRO CB C 93 32.152 31.627 0.525 1 1 1023 . 18 1 1 A 116 116 ALA H H 94 8.429 7.866 0.563 1 1 1024 . 18 1 1 A 116 116 ALA HA H 94 4.615 4.459 0.156 1 1 1028 . 18 1 1 A 116 116 ALA C C 94 177.230 176.751 0.479 1 1 1029 . 18 1 1 A 116 116 ALA CA C 94 51.966 53.726 -1.760 1 1 1030 . 18 1 1 A 116 116 ALA CB C 94 20.497 17.685 2.812 1 1 1031 . 18 1 1 A 116 116 ALA N N 94 125.566 119.156 6.410 1 1 1032 . 18 1 1 A 117 117 GLU H H 95 8.754 8.444 0.310 1 1 1033 . 18 1 1 A 117 117 GLU HA H 95 4.479 4.202 0.277 1 1 1038 . 18 1 1 A 117 117 GLU CA C 95 56.146 58.277 -2.131 1 1 1039 . 18 1 1 A 117 117 GLU CB C 95 30.856 29.118 1.738 1 1 11 . 19 1 1 A 24 24 PHE H H 2 8.940 8.175 0.765 1 1 12 . 19 1 1 A 24 24 PHE HA H 2 4.540 5.017 -0.477 1 1 17 . 19 1 1 A 24 24 PHE C C 2 173.640 175.399 -1.759 1 1 18 . 19 1 1 A 24 24 PHE CA C 2 58.262 57.663 0.599 1 1 19 . 19 1 1 A 24 24 PHE CB C 2 40.639 41.067 -0.428 1 1 20 . 19 1 1 A 24 24 PHE N N 2 121.410 123.968 -2.558 1 1 21 . 19 1 1 A 25 25 ARG H H 3 8.559 9.047 -0.488 1 1 22 . 19 1 1 A 25 25 ARG HA H 3 5.932 5.088 0.844 1 1 29 . 19 1 1 A 25 25 ARG C C 3 175.870 174.263 1.607 1 1 30 . 19 1 1 A 25 25 ARG CA C 3 53.965 55.140 -1.175 1 1 31 . 19 1 1 A 25 25 ARG CB C 3 34.959 33.526 1.433 1 1 34 . 19 1 1 A 25 25 ARG N N 3 123.288 121.115 2.173 1 1 35 . 19 1 1 A 26 26 SER H H 4 9.096 8.960 0.136 1 1 36 . 19 1 1 A 26 26 SER HA H 4 5.306 5.511 -0.205 1 1 39 . 19 1 1 A 26 26 SER C C 4 173.230 172.819 0.411 1 1 40 . 19 1 1 A 26 26 SER CA C 4 56.908 56.381 0.527 1 1 41 . 19 1 1 A 26 26 SER CB C 4 66.846 66.651 0.195 1 1 42 . 19 1 1 A 26 26 SER N N 4 120.152 119.668 0.484 1 1 43 . 19 1 1 A 27 27 THR H H 5 8.889 8.921 -0.032 1 1 44 . 19 1 1 A 27 27 THR HA H 5 6.172 5.537 0.635 1 1 49 . 19 1 1 A 27 27 THR C C 5 173.740 172.321 1.419 1 1 50 . 19 1 1 A 27 27 THR CA C 5 59.621 60.786 -1.165 1 1 51 . 19 1 1 A 27 27 THR CB C 5 75.444 71.536 3.908 1 1 53 . 19 1 1 A 27 27 THR N N 5 112.196 114.744 -2.548 1 1 54 . 19 1 1 A 28 28 SER H H 6 8.945 9.116 -0.171 1 1 55 . 19 1 1 A 28 28 SER HA H 6 4.643 5.441 -0.798 1 1 58 . 19 1 1 A 28 28 SER C C 6 173.400 172.736 0.664 1 1 59 . 19 1 1 A 28 28 SER CA C 6 57.727 56.940 0.787 1 1 60 . 19 1 1 A 28 28 SER CB C 6 65.115 64.678 0.437 1 1 61 . 19 1 1 A 28 28 SER N N 6 115.468 121.212 -5.744 1 1 62 . 19 1 1 A 29 29 HIS H H 7 8.713 8.997 -0.284 1 1 63 . 19 1 1 A 29 29 HIS HA H 7 5.046 5.489 -0.443 1 1 67 . 19 1 1 A 29 29 HIS C C 7 175.330 173.632 1.698 1 1 68 . 19 1 1 A 29 29 HIS CA C 7 55.507 53.811 1.696 1 1 69 . 19 1 1 A 29 29 HIS CB C 7 31.214 32.738 -1.524 1 1 70 . 19 1 1 A 29 29 HIS N N 7 130.131 127.934 2.197 1 1 71 . 19 1 1 A 30 30 VAL H H 8 9.318 8.913 0.405 1 1 72 . 19 1 1 A 30 30 VAL HA H 8 4.431 4.734 -0.303 1 1 80 . 19 1 1 A 30 30 VAL C C 8 175.620 174.829 0.791 1 1 81 . 19 1 1 A 30 30 VAL CA C 8 61.142 60.287 0.855 1 1 82 . 19 1 1 A 30 30 VAL CB C 8 33.063 35.764 -2.701 1 1 85 . 19 1 1 A 30 30 VAL N N 8 128.679 126.569 2.110 1 1 86 . 19 1 1 A 31 31 ARG H H 9 9.212 8.601 0.611 1 1 87 . 19 1 1 A 31 31 ARG HA H 9 4.517 5.030 -0.513 1 1 94 . 19 1 1 A 31 31 ARG C C 9 176.520 175.965 0.555 1 1 95 . 19 1 1 A 31 31 ARG CA C 9 57.458 55.360 2.098 1 1 96 . 19 1 1 A 31 31 ARG CB C 9 29.842 30.829 -0.987 1 1 99 . 19 1 1 A 31 31 ARG N N 9 128.640 125.825 2.815 1 1 100 . 19 1 1 A 32 32 THR H H 10 7.941 8.930 -0.989 1 1 101 . 19 1 1 A 32 32 THR HA H 10 4.627 5.071 -0.444 1 1 105 . 19 1 1 A 32 32 THR C C 10 172.560 172.592 -0.032 1 1 106 . 19 1 1 A 32 32 THR CA C 10 61.473 59.977 1.496 1 1 107 . 19 1 1 A 32 32 THR CB C 10 66.191 73.126 -6.935 1 1 109 . 19 1 1 A 32 32 THR N N 10 120.036 118.620 1.416 1 1 110 . 19 1 1 A 33 33 GLU H H 11 9.022 8.964 0.058 1 1 111 . 19 1 1 A 33 33 GLU HA H 11 4.731 4.771 -0.040 1 1 116 . 19 1 1 A 33 33 GLU C C 11 177.810 176.388 1.422 1 1 117 . 19 1 1 A 33 33 GLU CA C 11 57.466 55.289 2.177 1 1 118 . 19 1 1 A 33 33 GLU CB C 11 30.044 31.876 -1.832 1 1 120 . 19 1 1 A 33 33 GLU N N 11 126.859 123.520 3.339 1 1 121 . 19 1 1 A 34 34 SER H H 12 8.930 9.243 -0.313 1 1 122 . 19 1 1 A 34 34 SER HA H 12 4.795 4.081 0.714 1 1 125 . 19 1 1 A 34 34 SER C C 12 173.360 174.452 -1.092 1 1 126 . 19 1 1 A 34 34 SER CA C 12 56.842 58.937 -2.095 1 1 127 . 19 1 1 A 34 34 SER CB C 12 63.756 62.517 1.239 1 1 128 . 19 1 1 A 34 34 SER N N 12 119.717 119.353 0.364 1 1 129 . 19 1 1 A 35 35 ALA H H 13 8.756 7.734 1.022 1 1 130 . 19 1 1 A 35 35 ALA HA H 13 3.542 3.818 -0.276 1 1 134 . 19 1 1 A 35 35 ALA C C 13 178.560 179.139 -0.579 1 1 135 . 19 1 1 A 35 35 ALA CA C 13 56.288 55.035 1.253 1 1 136 . 19 1 1 A 35 35 ALA CB C 13 21.558 18.630 2.928 1 1 137 . 19 1 1 A 35 35 ALA N N 13 121.856 122.481 -0.625 1 1 138 . 19 1 1 A 36 36 ALA H H 14 8.442 8.090 0.352 1 1 139 . 19 1 1 A 36 36 ALA HA H 14 3.691 4.275 -0.584 1 1 143 . 19 1 1 A 36 36 ALA C C 14 179.900 179.606 0.294 1 1 144 . 19 1 1 A 36 36 ALA CA C 14 55.754 54.761 0.993 1 1 145 . 19 1 1 A 36 36 ALA CB C 14 17.368 18.291 -0.923 1 1 146 . 19 1 1 A 36 36 ALA N N 14 117.191 119.430 -2.239 1 1 147 . 19 1 1 A 37 37 ARG H H 15 7.513 7.260 0.253 1 1 148 . 19 1 1 A 37 37 ARG HA H 15 4.097 4.045 0.052 1 1 155 . 19 1 1 A 37 37 ARG C C 15 178.720 178.647 0.073 1 1 156 . 19 1 1 A 37 37 ARG CA C 15 58.699 58.614 0.085 1 1 157 . 19 1 1 A 37 37 ARG CB C 15 30.024 29.909 0.115 1 1 160 . 19 1 1 A 37 37 ARG N N 15 118.952 118.764 0.188 1 1 161 . 19 1 1 A 38 38 TYR H H 16 7.632 7.934 -0.302 1 1 162 . 19 1 1 A 38 38 TYR HA H 16 4.433 4.322 0.111 1 1 166 . 19 1 1 A 38 38 TYR C C 16 178.110 178.301 -0.191 1 1 167 . 19 1 1 A 38 38 TYR CA C 16 58.473 60.854 -2.381 1 1 168 . 19 1 1 A 38 38 TYR CB C 16 36.286 37.422 -1.136 1 1 169 . 19 1 1 A 38 38 TYR N N 16 118.516 119.394 -0.878 1 1 170 . 19 1 1 A 39 39 VAL H H 17 8.680 7.728 0.952 1 1 171 . 19 1 1 A 39 39 VAL HA H 17 3.491 3.639 -0.148 1 1 179 . 19 1 1 A 39 39 VAL C C 17 177.450 178.237 -0.787 1 1 180 . 19 1 1 A 39 39 VAL CA C 17 68.093 66.466 1.627 1 1 181 . 19 1 1 A 39 39 VAL CB C 17 31.943 31.610 0.333 1 1 184 . 19 1 1 A 39 39 VAL N N 17 119.126 120.583 -1.457 1 1 185 . 19 1 1 A 40 40 ASN H H 18 7.813 8.018 -0.205 1 1 186 . 19 1 1 A 40 40 ASN HA H 18 4.280 4.476 -0.196 1 1 189 . 19 1 1 A 40 40 ASN C C 18 177.190 177.981 -0.791 1 1 190 . 19 1 1 A 40 40 ASN CA C 18 57.525 56.473 1.052 1 1 191 . 19 1 1 A 40 40 ASN CB C 18 39.474 37.799 1.675 1 1 192 . 19 1 1 A 40 40 ASN N N 18 118.013 117.100 0.913 1 1 193 . 19 1 1 A 41 41 ARG H H 19 8.425 8.234 0.191 1 1 194 . 19 1 1 A 41 41 ARG HA H 19 4.010 4.107 -0.097 1 1 201 . 19 1 1 A 41 41 ARG C C 19 180.050 179.043 1.007 1 1 202 . 19 1 1 A 41 41 ARG CA C 19 59.734 58.575 1.159 1 1 203 . 19 1 1 A 41 41 ARG CB C 19 30.877 29.827 1.050 1 1 206 . 19 1 1 A 41 41 ARG N N 19 116.687 120.759 -4.072 1 1 207 . 19 1 1 A 42 42 LEU H H 20 8.731 7.962 0.769 1 1 208 . 19 1 1 A 42 42 LEU HA H 20 3.904 3.969 -0.065 1 1 218 . 19 1 1 A 42 42 LEU C C 20 178.690 178.606 0.084 1 1 219 . 19 1 1 A 42 42 LEU CA C 20 58.238 57.743 0.495 1 1 220 . 19 1 1 A 42 42 LEU CB C 20 41.659 41.672 -0.013 1 1 224 . 19 1 1 A 42 42 LEU N N 20 120.849 119.850 0.999 1 1 225 . 19 1 1 A 43 43 CYS H H 21 8.241 8.578 -0.337 1 1 226 . 19 1 1 A 43 43 CYS HA H 21 4.268 4.106 0.162 1 1 229 . 19 1 1 A 43 43 CYS C C 21 177.530 176.522 1.008 1 1 230 . 19 1 1 A 43 43 CYS CA C 21 65.374 62.268 3.106 1 1 231 . 19 1 1 A 43 43 CYS CB C 21 27.962 27.438 0.524 1 1 232 . 19 1 1 A 43 43 CYS N N 21 115.952 117.472 -1.520 1 1 233 . 19 1 1 A 44 44 LYS H H 22 8.364 7.776 0.588 1 1 234 . 19 1 1 A 44 44 LYS HA H 22 4.091 4.162 -0.071 1 1 243 . 19 1 1 A 44 44 LYS C C 22 179.020 178.536 0.484 1 1 244 . 19 1 1 A 44 44 LYS CA C 22 59.004 57.664 1.340 1 1 245 . 19 1 1 A 44 44 LYS CB C 22 31.921 32.542 -0.621 1 1 249 . 19 1 1 A 44 44 LYS N N 22 119.823 119.660 0.163 1 1 250 . 19 1 1 A 45 45 HIS H H 23 8.036 7.947 0.089 1 1 251 . 19 1 1 A 45 45 HIS HA H 23 4.408 3.952 0.456 1 1 255 . 19 1 1 A 45 45 HIS C C 23 177.870 176.736 1.134 1 1 256 . 19 1 1 A 45 45 HIS CA C 23 60.404 59.111 1.293 1 1 257 . 19 1 1 A 45 45 HIS CB C 23 30.954 30.315 0.639 1 1 258 . 19 1 1 A 45 45 HIS N N 23 118.729 120.816 -2.087 1 1 259 . 19 1 1 A 46 46 TRP H H 24 8.426 8.548 -0.122 1 1 260 . 19 1 1 A 46 46 TRP HA H 24 4.903 4.579 0.324 1 1 265 . 19 1 1 A 46 46 TRP C C 24 177.900 177.397 0.503 1 1 266 . 19 1 1 A 46 46 TRP CA C 24 58.973 58.891 0.082 1 1 267 . 19 1 1 A 46 46 TRP CB C 24 29.328 29.444 -0.116 1 1 268 . 19 1 1 A 46 46 TRP N N 24 117.297 116.292 1.005 1 1 270 . 19 1 1 A 47 47 GLY H H 25 8.254 8.090 0.164 1 1 271 . 19 1 1 A 47 47 GLY HA2 H 25 4.362 3.953 0.409 1 1 272 . 19 1 1 A 47 47 GLY HA3 H 25 3.936 4.037 -0.101 1 1 273 . 19 1 1 A 47 47 GLY CA C 25 46.812 47.289 -0.477 1 1 274 . 19 1 1 A 47 47 GLY N N 25 108.683 108.385 0.298 1 1 275 . 19 1 1 A 48 48 HIS C C 26 176.030 175.353 0.677 1 1 276 . 19 1 1 A 48 48 HIS CA C 26 58.358 57.230 1.128 1 1 277 . 19 1 1 A 48 48 HIS CB C 26 30.438 32.238 -1.800 1 1 278 . 19 1 1 A 49 49 LYS H H 27 7.544 7.950 -0.406 1 1 279 . 19 1 1 A 49 49 LYS HA H 27 4.236 4.424 -0.188 1 1 288 . 19 1 1 A 49 49 LYS C C 27 174.880 174.616 0.264 1 1 289 . 19 1 1 A 49 49 LYS CA C 27 56.572 55.331 1.241 1 1 290 . 19 1 1 A 49 49 LYS CB C 27 35.793 33.610 2.183 1 1 294 . 19 1 1 A 49 49 LYS N N 27 117.278 120.390 -3.112 1 1 295 . 19 1 1 A 50 50 PHE H H 28 8.178 7.772 0.406 1 1 296 . 19 1 1 A 50 50 PHE HA H 28 5.016 5.150 -0.134 1 1 301 . 19 1 1 A 50 50 PHE C C 28 174.190 174.613 -0.423 1 1 302 . 19 1 1 A 50 50 PHE CA C 28 55.756 56.169 -0.413 1 1 303 . 19 1 1 A 50 50 PHE CB C 28 41.140 43.038 -1.898 1 1 304 . 19 1 1 A 50 50 PHE N N 28 118.846 119.478 -0.632 1 1 305 . 19 1 1 A 51 51 GLU H H 29 7.812 8.500 -0.688 1 1 306 . 19 1 1 A 51 51 GLU HA H 29 4.449 4.623 -0.174 1 1 311 . 19 1 1 A 51 51 GLU C C 29 175.570 175.934 -0.364 1 1 312 . 19 1 1 A 51 51 GLU CA C 29 56.852 56.109 0.743 1 1 313 . 19 1 1 A 51 51 GLU CB C 29 30.207 28.826 1.381 1 1 315 . 19 1 1 A 51 51 GLU N N 29 120.355 122.079 -1.724 1 1 316 . 19 1 1 A 52 52 VAL H H 30 8.395 8.524 -0.129 1 1 317 . 19 1 1 A 52 52 VAL HA H 30 5.383 5.848 -0.465 1 1 325 . 19 1 1 A 52 52 VAL C C 30 175.850 174.801 1.049 1 1 326 . 19 1 1 A 52 52 VAL CA C 30 59.969 60.667 -0.698 1 1 327 . 19 1 1 A 52 52 VAL CB C 30 36.173 34.114 2.059 1 1 330 . 19 1 1 A 52 52 VAL N N 30 124.120 121.169 2.951 1 1 331 . 19 1 1 A 53 53 GLU H H 31 9.289 8.936 0.353 1 1 332 . 19 1 1 A 53 53 GLU HA H 31 4.717 5.198 -0.481 1 1 337 . 19 1 1 A 53 53 GLU C C 31 174.370 175.208 -0.838 1 1 338 . 19 1 1 A 53 53 GLU CA C 31 55.415 55.543 -0.128 1 1 339 . 19 1 1 A 53 53 GLU CB C 31 33.211 32.348 0.863 1 1 341 . 19 1 1 A 53 53 GLU N N 31 126.346 125.688 0.658 1 1 342 . 19 1 1 A 54 54 LEU H H 32 8.763 8.740 0.023 1 1 343 . 19 1 1 A 54 54 LEU HA H 32 5.375 5.069 0.306 1 1 353 . 19 1 1 A 54 54 LEU C C 32 175.100 175.369 -0.269 1 1 354 . 19 1 1 A 54 54 LEU CA C 32 55.010 54.151 0.859 1 1 355 . 19 1 1 A 54 54 LEU CB C 32 45.485 45.293 0.192 1 1 359 . 19 1 1 A 54 54 LEU N N 32 126.898 124.468 2.430 1 1 360 . 19 1 1 A 55 55 THR H H 33 9.159 8.217 0.942 1 1 361 . 19 1 1 A 55 55 THR HA H 33 4.886 5.071 -0.185 1 1 366 . 19 1 1 A 55 55 THR CA C 33 59.489 58.710 0.779 1 1 367 . 19 1 1 A 55 55 THR CB C 33 69.241 70.206 -0.965 1 1 369 . 19 1 1 A 55 55 THR N N 33 121.246 116.920 4.326 1 1 370 . 19 1 1 A 56 56 PRO HA H 34 4.269 4.583 -0.314 1 1 377 . 19 1 1 A 56 56 PRO C C 34 177.750 175.672 2.078 1 1 378 . 19 1 1 A 56 56 PRO CA C 34 65.968 62.859 3.109 1 1 379 . 19 1 1 A 56 56 PRO CB C 34 31.786 29.790 1.996 1 1 382 . 19 1 1 A 57 57 GLU H H 35 8.148 8.278 -0.130 1 1 383 . 19 1 1 A 57 57 GLU HA H 35 4.351 4.520 -0.169 1 1 388 . 19 1 1 A 57 57 GLU C C 35 175.720 175.885 -0.165 1 1 389 . 19 1 1 A 57 57 GLU CA C 35 57.085 56.775 0.310 1 1 390 . 19 1 1 A 57 57 GLU CB C 35 30.299 32.405 -2.106 1 1 392 . 19 1 1 A 57 57 GLU N N 35 112.303 120.466 -8.163 1 1 393 . 19 1 1 A 58 58 ARG H H 36 7.777 7.832 -0.055 1 1 394 . 19 1 1 A 58 58 ARG HA H 36 5.418 5.150 0.268 1 1 401 . 19 1 1 A 58 58 ARG C C 36 173.610 173.961 -0.351 1 1 402 . 19 1 1 A 58 58 ARG CA C 36 55.576 54.998 0.578 1 1 403 . 19 1 1 A 58 58 ARG CB C 36 33.324 32.604 0.720 1 1 406 . 19 1 1 A 58 58 ARG N N 36 122.018 115.258 6.760 1 1 407 . 19 1 1 A 59 59 GLY H H 37 9.650 8.673 0.977 1 1 408 . 19 1 1 A 59 59 GLY HA2 H 37 5.484 4.259 1.225 1 1 409 . 19 1 1 A 59 59 GLY HA3 H 37 3.554 4.272 -0.718 1 1 410 . 19 1 1 A 59 59 GLY C C 37 171.630 171.963 -0.333 1 1 411 . 19 1 1 A 59 59 GLY CA C 37 44.563 44.540 0.023 1 1 412 . 19 1 1 A 59 59 GLY N N 37 113.745 106.882 6.863 1 1 413 . 19 1 1 A 60 60 PHE H H 38 9.138 8.747 0.391 1 1 414 . 19 1 1 A 60 60 PHE HA H 38 5.472 5.053 0.419 1 1 419 . 19 1 1 A 60 60 PHE C C 38 173.180 174.126 -0.946 1 1 420 . 19 1 1 A 60 60 PHE CA C 38 57.234 56.279 0.955 1 1 421 . 19 1 1 A 60 60 PHE CB C 38 43.107 41.057 2.050 1 1 422 . 19 1 1 A 60 60 PHE N N 38 124.144 125.675 -1.531 1 1 423 . 19 1 1 A 61 61 ILE H H 39 8.618 8.623 -0.005 1 1 424 . 19 1 1 A 61 61 ILE HA H 39 4.226 4.561 -0.335 1 1 434 . 19 1 1 A 61 61 ILE C C 39 172.950 174.105 -1.155 1 1 435 . 19 1 1 A 61 61 ILE CA C 39 60.357 60.472 -0.115 1 1 436 . 19 1 1 A 61 61 ILE CB C 39 41.488 39.635 1.853 1 1 440 . 19 1 1 A 61 61 ILE N N 39 126.753 127.957 -1.204 1 1 441 . 19 1 1 A 62 62 ASP H H 40 8.192 8.019 0.173 1 1 442 . 19 1 1 A 62 62 ASP HA H 40 4.464 5.390 -0.926 1 1 445 . 19 1 1 A 62 62 ASP C C 40 176.240 176.118 0.122 1 1 446 . 19 1 1 A 62 62 ASP CA C 40 52.208 52.147 0.061 1 1 447 . 19 1 1 A 62 62 ASP CB C 40 41.489 42.856 -1.367 1 1 448 . 19 1 1 A 62 62 ASP N N 40 124.314 127.965 -3.651 1 1 449 . 19 1 1 A 63 63 PHE H H 41 8.165 8.900 -0.735 1 1 450 . 19 1 1 A 63 63 PHE HA H 41 4.007 4.573 -0.566 1 1 454 . 19 1 1 A 63 63 PHE C C 41 175.640 175.952 -0.312 1 1 455 . 19 1 1 A 63 63 PHE CA C 41 58.407 59.159 -0.752 1 1 456 . 19 1 1 A 63 63 PHE CB C 41 38.486 39.552 -1.066 1 1 457 . 19 1 1 A 63 63 PHE N N 41 123.395 123.233 0.162 1 1 458 . 19 1 1 A 64 64 GLY H H 42 9.003 8.169 0.834 1 1 459 . 19 1 1 A 64 64 GLY HA2 H 42 4.675 4.051 0.624 1 1 460 . 19 1 1 A 64 64 GLY HA3 H 42 3.484 4.053 -0.569 1 1 461 . 19 1 1 A 64 64 GLY CA C 42 45.938 46.268 -0.330 1 1 462 . 19 1 1 A 64 64 GLY N N 42 112.196 107.592 4.604 1 1 463 . 19 1 1 A 65 65 ASP HA H 43 4.675 4.655 0.020 1 1 466 . 19 1 1 A 65 65 ASP C C 43 176.170 175.406 0.764 1 1 467 . 19 1 1 A 65 65 ASP CA C 43 55.415 53.666 1.749 1 1 468 . 19 1 1 A 65 65 ASP CB C 43 41.379 40.034 1.345 1 1 469 . 19 1 1 A 66 66 SER H H 44 7.743 7.651 0.092 1 1 470 . 19 1 1 A 66 66 SER HA H 44 5.292 5.058 0.234 1 1 473 . 19 1 1 A 66 66 SER C C 44 172.190 172.282 -0.092 1 1 474 . 19 1 1 A 66 66 SER CA C 44 57.890 57.670 0.220 1 1 475 . 19 1 1 A 66 66 SER CB C 44 66.054 65.841 0.213 1 1 476 . 19 1 1 A 66 66 SER N N 44 112.796 111.298 1.498 1 1 477 . 19 1 1 A 67 67 ASN H H 45 9.075 9.071 0.004 1 1 478 . 19 1 1 A 67 67 ASN HA H 45 5.126 5.314 -0.188 1 1 481 . 19 1 1 A 67 67 ASN C C 45 172.300 173.969 -1.669 1 1 482 . 19 1 1 A 67 67 ASN CA C 45 52.997 51.747 1.250 1 1 483 . 19 1 1 A 67 67 ASN CB C 45 42.047 43.599 -1.552 1 1 484 . 19 1 1 A 67 67 ASN N N 45 114.955 117.307 -2.352 1 1 485 . 19 1 1 A 68 68 CYS H H 46 8.757 8.320 0.437 1 1 486 . 19 1 1 A 68 68 CYS HA H 46 5.652 4.927 0.725 1 1 489 . 19 1 1 A 68 68 CYS C C 46 170.650 172.912 -2.262 1 1 490 . 19 1 1 A 68 68 CYS CA C 46 56.668 58.466 -1.798 1 1 491 . 19 1 1 A 68 68 CYS CB C 46 31.195 29.456 1.739 1 1 492 . 19 1 1 A 68 68 CYS N N 46 119.184 118.246 0.938 1 1 493 . 19 1 1 A 69 69 GLU H H 47 9.587 9.382 0.205 1 1 494 . 19 1 1 A 69 69 GLU HA H 47 5.283 5.413 -0.130 1 1 499 . 19 1 1 A 69 69 GLU C C 47 174.190 174.976 -0.786 1 1 500 . 19 1 1 A 69 69 GLU CA C 47 54.401 55.800 -1.399 1 1 501 . 19 1 1 A 69 69 GLU CB C 47 33.607 31.781 1.826 1 1 503 . 19 1 1 A 69 69 GLU N N 47 131.612 128.773 2.839 1 1 504 . 19 1 1 A 70 70 LEU H H 48 9.523 8.534 0.989 1 1 505 . 19 1 1 A 70 70 LEU HA H 48 5.314 5.003 0.311 1 1 515 . 19 1 1 A 70 70 LEU C C 48 174.730 174.050 0.680 1 1 516 . 19 1 1 A 70 70 LEU CA C 48 53.570 54.203 -0.633 1 1 517 . 19 1 1 A 70 70 LEU CB C 48 46.109 45.312 0.797 1 1 521 . 19 1 1 A 70 70 LEU N N 48 125.069 125.256 -0.187 1 1 522 . 19 1 1 A 71 71 LEU H H 49 9.493 9.372 0.121 1 1 523 . 19 1 1 A 71 71 LEU HA H 49 5.001 5.205 -0.204 1 1 533 . 19 1 1 A 71 71 LEU C C 49 175.310 175.350 -0.040 1 1 534 . 19 1 1 A 71 71 LEU CA C 49 53.809 54.430 -0.621 1 1 535 . 19 1 1 A 71 71 LEU CB C 49 42.880 44.025 -1.145 1 1 539 . 19 1 1 A 71 71 LEU N N 49 123.714 128.487 -4.773 1 1 540 . 19 1 1 A 72 72 ALA H H 50 8.255 8.289 -0.034 1 1 541 . 19 1 1 A 72 72 ALA HA H 50 4.307 5.148 -0.841 1 1 545 . 19 1 1 A 72 72 ALA C C 50 174.800 175.274 -0.474 1 1 546 . 19 1 1 A 72 72 ALA CA C 50 51.618 51.351 0.267 1 1 547 . 19 1 1 A 72 72 ALA CB C 50 18.634 21.438 -2.804 1 1 548 . 19 1 1 A 72 72 ALA N N 50 125.398 128.260 -2.862 1 1 549 . 19 1 1 A 73 73 HIS H H 51 8.053 9.472 -1.419 1 1 550 . 19 1 1 A 73 73 HIS HA H 51 4.953 4.936 0.017 1 1 554 . 19 1 1 A 73 73 HIS CA C 51 54.682 53.870 0.812 1 1 555 . 19 1 1 A 73 73 HIS CB C 51 31.150 32.090 -0.940 1 1 556 . 19 1 1 A 73 73 HIS N N 51 123.172 123.812 -0.640 1 1 557 . 19 1 1 A 74 74 PRO HA H 52 4.385 4.129 0.256 1 1 564 . 19 1 1 A 74 74 PRO C C 52 176.370 176.655 -0.285 1 1 565 . 19 1 1 A 74 74 PRO CA C 52 65.625 64.982 0.643 1 1 566 . 19 1 1 A 74 74 PRO CB C 52 32.014 31.926 0.088 1 1 569 . 19 1 1 A 75 75 ASP H H 53 8.303 8.282 0.021 1 1 570 . 19 1 1 A 75 75 ASP HA H 53 4.955 5.268 -0.313 1 1 573 . 19 1 1 A 75 75 ASP C C 53 177.380 175.323 2.057 1 1 574 . 19 1 1 A 75 75 ASP CA C 53 52.034 54.139 -2.105 1 1 575 . 19 1 1 A 75 75 ASP CB C 53 41.826 42.580 -0.754 1 1 576 . 19 1 1 A 75 75 ASP N N 53 109.961 116.195 -6.234 1 1 577 . 19 1 1 A 76 76 HIS H H 54 7.379 7.303 0.076 1 1 578 . 19 1 1 A 76 76 HIS HA H 54 5.421 5.478 -0.057 1 1 582 . 19 1 1 A 76 76 HIS C C 54 172.470 172.859 -0.389 1 1 583 . 19 1 1 A 76 76 HIS CA C 54 56.943 54.287 2.656 1 1 584 . 19 1 1 A 76 76 HIS CB C 54 29.909 33.738 -3.829 1 1 585 . 19 1 1 A 76 76 HIS N N 54 114.752 116.422 -1.670 1 1 586 . 19 1 1 A 77 77 VAL H H 55 8.933 8.589 0.344 1 1 587 . 19 1 1 A 77 77 VAL HA H 55 4.837 5.139 -0.302 1 1 595 . 19 1 1 A 77 77 VAL C C 55 173.420 173.977 -0.557 1 1 596 . 19 1 1 A 77 77 VAL CA C 55 59.429 59.888 -0.459 1 1 597 . 19 1 1 A 77 77 VAL CB C 55 35.121 35.637 -0.516 1 1 600 . 19 1 1 A 77 77 VAL N N 55 117.287 119.687 -2.400 1 1 601 . 19 1 1 A 78 78 LEU H H 56 9.004 9.660 -0.656 1 1 602 . 19 1 1 A 78 78 LEU HA H 56 5.466 5.304 0.162 1 1 612 . 19 1 1 A 78 78 LEU C C 56 175.140 175.701 -0.561 1 1 613 . 19 1 1 A 78 78 LEU CA C 56 53.084 53.711 -0.627 1 1 614 . 19 1 1 A 78 78 LEU CB C 56 44.499 45.505 -1.006 1 1 618 . 19 1 1 A 78 78 LEU N N 56 130.334 127.936 2.398 1 1 619 . 19 1 1 A 79 79 MET H H 57 9.381 8.817 0.564 1 1 620 . 19 1 1 A 79 79 MET HA H 57 5.678 5.269 0.409 1 1 625 . 19 1 1 A 79 79 MET C C 57 175.160 174.729 0.431 1 1 626 . 19 1 1 A 79 79 MET CA C 57 54.216 54.413 -0.197 1 1 627 . 19 1 1 A 79 79 MET CB C 57 37.309 35.185 2.124 1 1 629 . 19 1 1 A 79 79 MET N N 57 124.304 122.386 1.918 1 1 630 . 19 1 1 A 80 80 ILE H H 58 9.552 8.751 0.801 1 1 631 . 19 1 1 A 80 80 ILE HA H 58 4.957 5.079 -0.122 1 1 641 . 19 1 1 A 80 80 ILE C C 58 175.160 175.527 -0.367 1 1 642 . 19 1 1 A 80 80 ILE CA C 58 61.338 60.110 1.228 1 1 643 . 19 1 1 A 80 80 ILE CB C 58 41.092 41.371 -0.279 1 1 647 . 19 1 1 A 80 80 ILE N N 58 122.359 124.619 -2.260 1 1 648 . 19 1 1 A 81 81 LEU H H 59 9.549 9.184 0.365 1 1 649 . 19 1 1 A 81 81 LEU HA H 59 5.274 5.236 0.038 1 1 659 . 19 1 1 A 81 81 LEU C C 59 174.280 175.331 -1.051 1 1 660 . 19 1 1 A 81 81 LEU CA C 59 53.621 52.712 0.909 1 1 661 . 19 1 1 A 81 81 LEU CB C 59 46.837 45.079 1.758 1 1 665 . 19 1 1 A 81 81 LEU N N 59 131.901 125.099 6.802 1 1 666 . 19 1 1 A 82 82 ASN H H 60 8.516 8.509 0.007 1 1 667 . 19 1 1 A 82 82 ASN HA H 60 5.851 5.504 0.347 1 1 670 . 19 1 1 A 82 82 ASN C C 60 174.840 174.127 0.713 1 1 671 . 19 1 1 A 82 82 ASN CA C 60 52.549 52.102 0.447 1 1 672 . 19 1 1 A 82 82 ASN CB C 60 43.188 39.627 3.561 1 1 673 . 19 1 1 A 82 82 ASN N N 60 120.142 119.345 0.797 1 1 674 . 19 1 1 A 83 83 SER H H 61 9.176 8.374 0.802 1 1 675 . 19 1 1 A 83 83 SER HA H 61 5.295 4.896 0.399 1 1 678 . 19 1 1 A 83 83 SER CA C 61 57.388 55.751 1.637 1 1 679 . 19 1 1 A 83 83 SER CB C 61 68.052 66.237 1.815 1 1 680 . 19 1 1 A 83 83 SER N N 61 116.871 119.376 -2.505 1 1 681 . 19 1 1 A 84 84 PRO HA H 62 4.907 4.015 0.892 1 1 688 . 19 1 1 A 84 84 PRO C C 62 175.210 174.772 0.438 1 1 689 . 19 1 1 A 84 84 PRO CA C 62 64.539 63.900 0.639 1 1 690 . 19 1 1 A 84 84 PRO CB C 62 32.726 31.757 0.969 1 1 693 . 19 1 1 A 85 85 ASP H H 63 7.228 7.262 -0.034 1 1 694 . 19 1 1 A 85 85 ASP HA H 63 4.630 5.187 -0.557 1 1 697 . 19 1 1 A 85 85 ASP C C 63 174.540 176.254 -1.714 1 1 698 . 19 1 1 A 85 85 ASP CA C 63 53.119 52.670 0.449 1 1 699 . 19 1 1 A 85 85 ASP CB C 63 42.880 43.542 -0.662 1 1 700 . 19 1 1 A 85 85 ASP N N 63 112.313 113.198 -0.885 1 1 701 . 19 1 1 A 86 86 GLU H H 64 8.761 9.232 -0.471 1 1 702 . 19 1 1 A 86 86 GLU HA H 64 3.321 4.095 -0.774 1 1 707 . 19 1 1 A 86 86 GLU C C 64 178.440 177.760 0.680 1 1 708 . 19 1 1 A 86 86 GLU CA C 64 59.937 59.900 0.037 1 1 709 . 19 1 1 A 86 86 GLU CB C 64 29.707 29.656 0.051 1 1 711 . 19 1 1 A 86 86 GLU N N 64 120.055 121.480 -1.425 1 1 712 . 19 1 1 A 87 87 ASP H H 65 8.332 8.415 -0.083 1 1 713 . 19 1 1 A 87 87 ASP HA H 65 4.414 4.309 0.105 1 1 716 . 19 1 1 A 87 87 ASP C C 65 179.400 178.007 1.393 1 1 717 . 19 1 1 A 87 87 ASP CA C 65 57.203 57.645 -0.442 1 1 718 . 19 1 1 A 87 87 ASP CB C 65 40.323 41.279 -0.956 1 1 719 . 19 1 1 A 87 87 ASP N N 65 121.933 119.845 2.088 1 1 720 . 19 1 1 A 88 88 SER H H 66 8.949 8.500 0.449 1 1 721 . 19 1 1 A 88 88 SER HA H 66 4.169 4.250 -0.081 1 1 724 . 19 1 1 A 88 88 SER C C 66 176.110 177.098 -0.988 1 1 725 . 19 1 1 A 88 88 SER CA C 66 62.032 61.667 0.365 1 1 726 . 19 1 1 A 88 88 SER CB C 66 62.178 63.124 -0.946 1 1 727 . 19 1 1 A 88 88 SER N N 66 119.726 113.832 5.894 1 1 728 . 19 1 1 A 89 89 LEU H H 67 7.737 8.879 -1.142 1 1 729 . 19 1 1 A 89 89 LEU HA H 67 4.017 4.387 -0.370 1 1 739 . 19 1 1 A 89 89 LEU C C 67 177.790 178.171 -0.381 1 1 740 . 19 1 1 A 89 89 LEU CA C 67 57.958 58.404 -0.446 1 1 741 . 19 1 1 A 89 89 LEU CB C 67 42.394 42.285 0.109 1 1 745 . 19 1 1 A 89 89 LEU N N 67 122.942 122.295 0.647 1 1 746 . 19 1 1 A 90 90 ALA H H 68 7.483 9.336 -1.853 1 1 747 . 19 1 1 A 90 90 ALA HA H 68 3.780 4.030 -0.250 1 1 751 . 19 1 1 A 90 90 ALA C C 68 180.410 179.372 1.038 1 1 752 . 19 1 1 A 90 90 ALA CA C 68 54.782 54.711 0.071 1 1 753 . 19 1 1 A 90 90 ALA CB C 68 17.857 18.356 -0.499 1 1 754 . 19 1 1 A 90 90 ALA N N 68 119.446 120.270 -0.824 1 1 755 . 19 1 1 A 91 91 HIS H H 69 7.707 8.185 -0.478 1 1 756 . 19 1 1 A 91 91 HIS HA H 69 4.377 4.056 0.321 1 1 760 . 19 1 1 A 91 91 HIS C C 69 177.865 177.039 0.826 1 1 761 . 19 1 1 A 91 91 HIS CA C 69 59.518 59.569 -0.051 1 1 762 . 19 1 1 A 91 91 HIS CB C 69 30.954 29.631 1.323 1 1 763 . 19 1 1 A 91 91 HIS N N 69 116.881 117.869 -0.988 1 1 764 . 19 1 1 A 92 92 MET H H 70 8.467 7.983 0.484 1 1 765 . 19 1 1 A 92 92 MET HA H 70 4.087 4.005 0.082 1 1 770 . 19 1 1 A 92 92 MET C C 70 178.390 178.048 0.342 1 1 771 . 19 1 1 A 92 92 MET CA C 70 55.584 58.634 -3.050 1 1 772 . 19 1 1 A 92 92 MET CB C 70 29.773 33.287 -3.514 1 1 774 . 19 1 1 A 92 92 MET N N 70 116.968 117.555 -0.587 1 1 775 . 19 1 1 A 93 93 GLN H H 71 8.309 8.136 0.173 1 1 776 . 19 1 1 A 93 93 GLN HA H 71 2.874 4.062 -1.188 1 1 781 . 19 1 1 A 93 93 GLN C C 71 178.420 178.060 0.360 1 1 782 . 19 1 1 A 93 93 GLN CA C 71 58.852 58.567 0.285 1 1 783 . 19 1 1 A 93 93 GLN CB C 71 27.658 28.129 -0.471 1 1 785 . 19 1 1 A 93 93 GLN N N 71 120.665 117.338 3.327 1 1 786 . 19 1 1 A 94 94 ASN H H 72 6.899 8.180 -1.281 1 1 787 . 19 1 1 A 94 94 ASN HA H 72 4.596 4.453 0.143 1 1 790 . 19 1 1 A 94 94 ASN C C 72 177.380 177.539 -0.159 1 1 791 . 19 1 1 A 94 94 ASN CA C 72 56.037 56.112 -0.075 1 1 792 . 19 1 1 A 94 94 ASN CB C 72 38.219 38.520 -0.301 1 1 793 . 19 1 1 A 94 94 ASN N N 72 116.271 118.992 -2.721 1 1 794 . 19 1 1 A 95 95 VAL H H 73 8.050 7.678 0.372 1 1 795 . 19 1 1 A 95 95 VAL HA H 73 3.983 3.445 0.538 1 1 803 . 19 1 1 A 95 95 VAL C C 73 180.050 178.328 1.722 1 1 804 . 19 1 1 A 95 95 VAL CA C 73 66.515 66.025 0.490 1 1 805 . 19 1 1 A 95 95 VAL CB C 73 32.587 31.365 1.222 1 1 808 . 19 1 1 A 95 95 VAL N N 73 121.798 119.405 2.393 1 1 809 . 19 1 1 A 96 96 VAL H H 74 9.082 7.748 1.334 1 1 810 . 19 1 1 A 96 96 VAL HA H 74 3.986 3.354 0.632 1 1 818 . 19 1 1 A 96 96 VAL C C 74 177.490 178.077 -0.587 1 1 819 . 19 1 1 A 96 96 VAL CA C 74 67.947 66.214 1.733 1 1 820 . 19 1 1 A 96 96 VAL CB C 74 31.966 31.351 0.615 1 1 823 . 19 1 1 A 96 96 VAL N N 74 120.549 120.772 -0.223 1 1 824 . 19 1 1 A 97 97 ALA H H 75 8.285 7.841 0.444 1 1 825 . 19 1 1 A 97 97 ALA HA H 75 4.108 4.052 0.056 1 1 829 . 19 1 1 A 97 97 ALA C C 75 179.320 179.411 -0.091 1 1 830 . 19 1 1 A 97 97 ALA CA C 75 56.117 54.923 1.194 1 1 831 . 19 1 1 A 97 97 ALA CB C 75 19.867 18.565 1.302 1 1 832 . 19 1 1 A 97 97 ALA N N 75 120.375 121.842 -1.467 1 1 833 . 19 1 1 A 98 98 ASP H H 76 8.522 7.600 0.922 1 1 834 . 19 1 1 A 98 98 ASP HA H 76 4.356 4.390 -0.034 1 1 837 . 19 1 1 A 98 98 ASP C C 76 179.100 178.675 0.425 1 1 838 . 19 1 1 A 98 98 ASP CA C 76 57.252 57.409 -0.157 1 1 839 . 19 1 1 A 98 98 ASP CB C 76 41.335 40.857 0.478 1 1 840 . 19 1 1 A 98 98 ASP N N 76 116.871 118.639 -1.768 1 1 841 . 19 1 1 A 99 99 HIS H H 77 8.162 7.737 0.425 1 1 842 . 19 1 1 A 99 99 HIS HA H 77 3.847 4.331 -0.484 1 1 846 . 19 1 1 A 99 99 HIS C C 77 177.440 178.098 -0.658 1 1 847 . 19 1 1 A 99 99 HIS CA C 77 61.636 59.590 2.046 1 1 848 . 19 1 1 A 99 99 HIS CB C 77 29.328 29.915 -0.587 1 1 849 . 19 1 1 A 99 99 HIS N N 77 116.758 118.468 -1.710 1 1 850 . 19 1 1 A 100 100 LEU H H 78 8.718 8.417 0.301 1 1 851 . 19 1 1 A 100 100 LEU HA H 78 3.862 3.962 -0.100 1 1 861 . 19 1 1 A 100 100 LEU C C 78 177.720 179.785 -2.065 1 1 862 . 19 1 1 A 100 100 LEU CA C 78 58.746 57.370 1.376 1 1 863 . 19 1 1 A 100 100 LEU CB C 78 40.324 41.218 -0.894 1 1 867 . 19 1 1 A 100 100 LEU N N 78 120.332 119.301 1.031 1 1 868 . 19 1 1 A 101 101 GLN H H 79 8.167 8.267 -0.100 1 1 869 . 19 1 1 A 101 101 GLN HA H 79 3.973 4.048 -0.075 1 1 874 . 19 1 1 A 101 101 GLN C C 79 178.990 178.798 0.192 1 1 875 . 19 1 1 A 101 101 GLN CA C 79 58.359 58.846 -0.487 1 1 876 . 19 1 1 A 101 101 GLN CB C 79 29.575 28.622 0.953 1 1 878 . 19 1 1 A 101 101 GLN N N 79 115.715 120.069 -4.354 1 1 879 . 19 1 1 A 102 102 ARG H H 80 7.835 7.766 0.069 1 1 880 . 19 1 1 A 102 102 ARG HA H 80 3.990 4.422 -0.432 1 1 887 . 19 1 1 A 102 102 ARG C C 80 178.540 177.283 1.257 1 1 888 . 19 1 1 A 102 102 ARG CA C 80 58.789 58.787 0.002 1 1 889 . 19 1 1 A 102 102 ARG CB C 80 30.218 29.872 0.346 1 1 892 . 19 1 1 A 102 102 ARG N N 80 118.207 118.682 -0.475 1 1 893 . 19 1 1 A 103 103 MET H H 81 7.645 7.809 -0.164 1 1 894 . 19 1 1 A 103 103 MET HA H 81 4.353 4.024 0.329 1 1 899 . 19 1 1 A 103 103 MET C C 81 176.300 177.011 -0.711 1 1 900 . 19 1 1 A 103 103 MET CA C 81 55.646 57.173 -1.527 1 1 901 . 19 1 1 A 103 103 MET CB C 81 32.620 31.561 1.059 1 1 903 . 19 1 1 A 103 103 MET N N 81 116.250 116.446 -0.196 1 1 904 . 19 1 1 A 104 104 ALA H H 82 7.324 7.601 -0.277 1 1 905 . 19 1 1 A 104 104 ALA HA H 82 4.386 4.443 -0.057 1 1 909 . 19 1 1 A 104 104 ALA CA C 82 51.004 53.563 -2.559 1 1 910 . 19 1 1 A 104 104 ALA CB C 82 17.678 20.651 -2.973 1 1 911 . 19 1 1 A 104 104 ALA N N 82 123.602 121.995 1.607 1 1 912 . 19 1 1 A 106 106 SER HA H 84 4.610 4.652 -0.042 1 1 915 . 19 1 1 A 106 106 SER C C 84 173.480 173.655 -0.175 1 1 916 . 19 1 1 A 106 106 SER CA C 84 58.041 59.247 -1.206 1 1 917 . 19 1 1 A 106 106 SER CB C 84 64.139 65.695 -1.556 1 1 918 . 19 1 1 A 107 107 GLU H H 85 7.443 7.799 -0.356 1 1 919 . 19 1 1 A 107 107 GLU HA H 85 4.640 4.662 -0.022 1 1 924 . 19 1 1 A 107 107 GLU CA C 85 55.058 55.278 -0.220 1 1 925 . 19 1 1 A 107 107 GLU CB C 85 32.203 31.525 0.678 1 1 927 . 19 1 1 A 107 107 GLU N N 85 119.316 117.465 1.851 1 1 928 . 19 1 1 A 108 108 SER HA H 86 4.549 4.910 -0.361 1 1 931 . 19 1 1 A 108 108 SER C C 86 174.220 173.783 0.437 1 1 932 . 19 1 1 A 108 108 SER CA C 86 57.291 56.957 0.334 1 1 933 . 19 1 1 A 108 108 SER CB C 86 62.819 61.727 1.092 1 1 934 . 19 1 1 A 109 109 LEU H H 87 9.011 8.568 0.443 1 1 935 . 19 1 1 A 109 109 LEU HA H 87 4.606 3.938 0.668 1 1 945 . 19 1 1 A 109 109 LEU C C 87 176.720 176.566 0.154 1 1 946 . 19 1 1 A 109 109 LEU CA C 87 54.024 55.640 -1.616 1 1 947 . 19 1 1 A 109 109 LEU CB C 87 43.358 40.834 2.524 1 1 951 . 19 1 1 A 109 109 LEU N N 87 126.582 125.563 1.019 1 1 952 . 19 1 1 A 110 110 GLU H H 88 8.530 8.900 -0.370 1 1 953 . 19 1 1 A 110 110 GLU HA H 88 4.541 4.476 0.065 1 1 958 . 19 1 1 A 110 110 GLU C C 88 175.340 175.925 -0.585 1 1 959 . 19 1 1 A 110 110 GLU CA C 88 55.555 56.458 -0.903 1 1 960 . 19 1 1 A 110 110 GLU CB C 88 29.970 29.866 0.104 1 1 962 . 19 1 1 A 110 110 GLU N N 88 123.263 125.649 -2.386 1 1 963 . 19 1 1 A 111 111 ILE H H 89 8.842 8.356 0.486 1 1 964 . 19 1 1 A 111 111 ILE HA H 89 3.911 4.885 -0.974 1 1 974 . 19 1 1 A 111 111 ILE C C 89 173.250 173.744 -0.494 1 1 975 . 19 1 1 A 111 111 ILE CA C 89 61.207 59.135 2.072 1 1 976 . 19 1 1 A 111 111 ILE CB C 89 38.989 41.187 -2.198 1 1 980 . 19 1 1 A 111 111 ILE N N 89 128.558 121.704 6.854 1 1 981 . 19 1 1 A 112 112 ALA H H 90 8.651 8.800 -0.149 1 1 982 . 19 1 1 A 112 112 ALA HA H 90 4.733 4.549 0.184 1 1 986 . 19 1 1 A 112 112 ALA C C 90 177.040 176.531 0.509 1 1 987 . 19 1 1 A 112 112 ALA CA C 90 50.598 50.077 0.521 1 1 988 . 19 1 1 A 112 112 ALA CB C 90 21.517 19.913 1.604 1 1 989 . 19 1 1 A 112 112 ALA N N 90 131.215 127.942 3.273 1 1 990 . 19 1 1 A 113 113 TRP H H 91 9.084 8.000 1.084 1 1 991 . 19 1 1 A 113 113 TRP HA H 91 5.129 5.131 -0.002 1 1 996 . 19 1 1 A 113 113 TRP C C 91 176.725 176.321 0.404 1 1 997 . 19 1 1 A 113 113 TRP CA C 91 56.263 55.811 0.452 1 1 998 . 19 1 1 A 113 113 TRP CB C 91 31.282 30.997 0.285 1 1 999 . 19 1 1 A 113 113 TRP N N 91 125.391 124.560 0.831 1 1 1001 . 19 1 1 A 114 114 GLN H H 92 9.712 9.233 0.479 1 1 1002 . 19 1 1 A 114 114 GLN HA H 92 5.078 4.693 0.385 1 1 1007 . 19 1 1 A 114 114 GLN CA C 92 52.872 54.304 -1.432 1 1 1008 . 19 1 1 A 114 114 GLN CB C 92 30.288 28.320 1.968 1 1 1010 . 19 1 1 A 114 114 GLN N N 92 122.696 121.295 1.401 1 1 1011 . 19 1 1 A 115 115 PRO HA H 93 4.689 4.397 0.292 1 1 1018 . 19 1 1 A 115 115 PRO C C 93 176.690 177.078 -0.388 1 1 1019 . 19 1 1 A 115 115 PRO CA C 93 63.246 65.175 -1.929 1 1 1020 . 19 1 1 A 115 115 PRO CB C 93 32.152 31.840 0.312 1 1 1023 . 19 1 1 A 116 116 ALA H H 94 8.429 8.026 0.403 1 1 1024 . 19 1 1 A 116 116 ALA HA H 94 4.615 4.555 0.060 1 1 1028 . 19 1 1 A 116 116 ALA C C 94 177.230 175.958 1.272 1 1 1029 . 19 1 1 A 116 116 ALA CA C 94 51.966 53.403 -1.437 1 1 1030 . 19 1 1 A 116 116 ALA CB C 94 20.497 17.550 2.947 1 1 1031 . 19 1 1 A 116 116 ALA N N 94 125.566 119.493 6.073 1 1 1032 . 19 1 1 A 117 117 GLU H H 95 8.754 7.999 0.755 1 1 1033 . 19 1 1 A 117 117 GLU HA H 95 4.479 4.595 -0.116 1 1 1038 . 19 1 1 A 117 117 GLU CA C 95 56.146 56.233 -0.087 1 1 1039 . 19 1 1 A 117 117 GLU CB C 95 30.856 32.164 -1.308 1 1 11 . 20 1 1 A 24 24 PHE H H 2 8.940 8.132 0.808 1 1 12 . 20 1 1 A 24 24 PHE HA H 2 4.540 4.774 -0.234 1 1 17 . 20 1 1 A 24 24 PHE C C 2 173.640 175.625 -1.985 1 1 18 . 20 1 1 A 24 24 PHE CA C 2 58.262 58.018 0.244 1 1 19 . 20 1 1 A 24 24 PHE CB C 2 40.639 39.960 0.679 1 1 20 . 20 1 1 A 24 24 PHE N N 2 121.410 124.402 -2.992 1 1 21 . 20 1 1 A 25 25 ARG H H 3 8.559 8.816 -0.257 1 1 22 . 20 1 1 A 25 25 ARG HA H 3 5.932 5.142 0.790 1 1 29 . 20 1 1 A 25 25 ARG C C 3 175.870 174.288 1.582 1 1 30 . 20 1 1 A 25 25 ARG CA C 3 53.965 55.064 -1.099 1 1 31 . 20 1 1 A 25 25 ARG CB C 3 34.959 33.579 1.380 1 1 34 . 20 1 1 A 25 25 ARG N N 3 123.288 121.215 2.073 1 1 35 . 20 1 1 A 26 26 SER H H 4 9.096 8.968 0.128 1 1 36 . 20 1 1 A 26 26 SER HA H 4 5.306 5.576 -0.270 1 1 39 . 20 1 1 A 26 26 SER C C 4 173.230 172.814 0.416 1 1 40 . 20 1 1 A 26 26 SER CA C 4 56.908 56.379 0.529 1 1 41 . 20 1 1 A 26 26 SER CB C 4 66.846 66.695 0.151 1 1 42 . 20 1 1 A 26 26 SER N N 4 120.152 119.830 0.322 1 1 43 . 20 1 1 A 27 27 THR H H 5 8.889 8.880 0.009 1 1 44 . 20 1 1 A 27 27 THR HA H 5 6.172 5.517 0.655 1 1 49 . 20 1 1 A 27 27 THR C C 5 173.740 172.316 1.424 1 1 50 . 20 1 1 A 27 27 THR CA C 5 59.621 60.792 -1.171 1 1 51 . 20 1 1 A 27 27 THR CB C 5 75.444 71.506 3.938 1 1 53 . 20 1 1 A 27 27 THR N N 5 112.196 114.722 -2.526 1 1 54 . 20 1 1 A 28 28 SER H H 6 8.945 9.069 -0.124 1 1 55 . 20 1 1 A 28 28 SER HA H 6 4.643 5.486 -0.843 1 1 58 . 20 1 1 A 28 28 SER C C 6 173.400 172.715 0.685 1 1 59 . 20 1 1 A 28 28 SER CA C 6 57.727 56.797 0.930 1 1 60 . 20 1 1 A 28 28 SER CB C 6 65.115 64.708 0.407 1 1 61 . 20 1 1 A 28 28 SER N N 6 115.468 121.454 -5.986 1 1 62 . 20 1 1 A 29 29 HIS H H 7 8.713 9.004 -0.291 1 1 63 . 20 1 1 A 29 29 HIS HA H 7 5.046 5.436 -0.390 1 1 67 . 20 1 1 A 29 29 HIS C C 7 175.330 173.650 1.680 1 1 68 . 20 1 1 A 29 29 HIS CA C 7 55.507 53.933 1.574 1 1 69 . 20 1 1 A 29 29 HIS CB C 7 31.214 32.913 -1.699 1 1 70 . 20 1 1 A 29 29 HIS N N 7 130.131 128.087 2.044 1 1 71 . 20 1 1 A 30 30 VAL H H 8 9.318 8.605 0.713 1 1 72 . 20 1 1 A 30 30 VAL HA H 8 4.431 4.827 -0.396 1 1 80 . 20 1 1 A 30 30 VAL C C 8 175.620 174.758 0.862 1 1 81 . 20 1 1 A 30 30 VAL CA C 8 61.142 60.280 0.862 1 1 82 . 20 1 1 A 30 30 VAL CB C 8 33.063 35.709 -2.646 1 1 85 . 20 1 1 A 30 30 VAL N N 8 128.679 126.424 2.255 1 1 86 . 20 1 1 A 31 31 ARG H H 9 9.212 8.678 0.534 1 1 87 . 20 1 1 A 31 31 ARG HA H 9 4.517 5.031 -0.514 1 1 94 . 20 1 1 A 31 31 ARG C C 9 176.520 175.737 0.783 1 1 95 . 20 1 1 A 31 31 ARG CA C 9 57.458 55.248 2.210 1 1 96 . 20 1 1 A 31 31 ARG CB C 9 29.842 30.941 -1.099 1 1 99 . 20 1 1 A 31 31 ARG N N 9 128.640 125.841 2.799 1 1 100 . 20 1 1 A 32 32 THR H H 10 7.941 8.908 -0.967 1 1 101 . 20 1 1 A 32 32 THR HA H 10 4.627 5.046 -0.419 1 1 105 . 20 1 1 A 32 32 THR C C 10 172.560 172.793 -0.233 1 1 106 . 20 1 1 A 32 32 THR CA C 10 61.473 60.356 1.117 1 1 107 . 20 1 1 A 32 32 THR CB C 10 66.191 73.002 -6.811 1 1 109 . 20 1 1 A 32 32 THR N N 10 120.036 118.663 1.373 1 1 110 . 20 1 1 A 33 33 GLU H H 11 9.022 8.962 0.060 1 1 111 . 20 1 1 A 33 33 GLU HA H 11 4.731 4.854 -0.123 1 1 116 . 20 1 1 A 33 33 GLU C C 11 177.810 176.425 1.385 1 1 117 . 20 1 1 A 33 33 GLU CA C 11 57.466 55.257 2.209 1 1 118 . 20 1 1 A 33 33 GLU CB C 11 30.044 31.995 -1.951 1 1 120 . 20 1 1 A 33 33 GLU N N 11 126.859 123.814 3.045 1 1 121 . 20 1 1 A 34 34 SER H H 12 8.930 9.276 -0.346 1 1 122 . 20 1 1 A 34 34 SER HA H 12 4.795 4.095 0.700 1 1 125 . 20 1 1 A 34 34 SER C C 12 173.360 174.482 -1.122 1 1 126 . 20 1 1 A 34 34 SER CA C 12 56.842 59.057 -2.215 1 1 127 . 20 1 1 A 34 34 SER CB C 12 63.756 62.831 0.925 1 1 128 . 20 1 1 A 34 34 SER N N 12 119.717 119.484 0.233 1 1 129 . 20 1 1 A 35 35 ALA H H 13 8.756 7.761 0.995 1 1 130 . 20 1 1 A 35 35 ALA HA H 13 3.542 3.774 -0.232 1 1 134 . 20 1 1 A 35 35 ALA C C 13 178.560 179.115 -0.555 1 1 135 . 20 1 1 A 35 35 ALA CA C 13 56.288 55.126 1.162 1 1 136 . 20 1 1 A 35 35 ALA CB C 13 21.558 18.637 2.921 1 1 137 . 20 1 1 A 35 35 ALA N N 13 121.856 122.561 -0.705 1 1 138 . 20 1 1 A 36 36 ALA H H 14 8.442 8.082 0.360 1 1 139 . 20 1 1 A 36 36 ALA HA H 14 3.691 4.221 -0.530 1 1 143 . 20 1 1 A 36 36 ALA C C 14 179.900 179.513 0.387 1 1 144 . 20 1 1 A 36 36 ALA CA C 14 55.754 54.697 1.057 1 1 145 . 20 1 1 A 36 36 ALA CB C 14 17.368 18.345 -0.977 1 1 146 . 20 1 1 A 36 36 ALA N N 14 117.191 119.494 -2.303 1 1 147 . 20 1 1 A 37 37 ARG H H 15 7.513 7.374 0.139 1 1 148 . 20 1 1 A 37 37 ARG HA H 15 4.097 4.045 0.052 1 1 155 . 20 1 1 A 37 37 ARG C C 15 178.720 178.706 0.014 1 1 156 . 20 1 1 A 37 37 ARG CA C 15 58.699 58.737 -0.038 1 1 157 . 20 1 1 A 37 37 ARG CB C 15 30.024 29.816 0.208 1 1 160 . 20 1 1 A 37 37 ARG N N 15 118.952 118.851 0.101 1 1 161 . 20 1 1 A 38 38 TYR H H 16 7.632 7.764 -0.132 1 1 162 . 20 1 1 A 38 38 TYR HA H 16 4.433 4.258 0.175 1 1 166 . 20 1 1 A 38 38 TYR C C 16 178.110 178.421 -0.311 1 1 167 . 20 1 1 A 38 38 TYR CA C 16 58.473 60.681 -2.208 1 1 168 . 20 1 1 A 38 38 TYR CB C 16 36.286 37.819 -1.533 1 1 169 . 20 1 1 A 38 38 TYR N N 16 118.516 119.470 -0.954 1 1 170 . 20 1 1 A 39 39 VAL H H 17 8.680 8.237 0.443 1 1 171 . 20 1 1 A 39 39 VAL HA H 17 3.491 3.711 -0.220 1 1 179 . 20 1 1 A 39 39 VAL C C 17 177.450 178.409 -0.959 1 1 180 . 20 1 1 A 39 39 VAL CA C 17 68.093 66.644 1.449 1 1 181 . 20 1 1 A 39 39 VAL CB C 17 31.943 31.487 0.456 1 1 184 . 20 1 1 A 39 39 VAL N N 17 119.126 120.086 -0.960 1 1 185 . 20 1 1 A 40 40 ASN H H 18 7.813 7.730 0.083 1 1 186 . 20 1 1 A 40 40 ASN HA H 18 4.280 4.497 -0.217 1 1 189 . 20 1 1 A 40 40 ASN C C 18 177.190 177.809 -0.619 1 1 190 . 20 1 1 A 40 40 ASN CA C 18 57.525 56.093 1.432 1 1 191 . 20 1 1 A 40 40 ASN CB C 18 39.474 38.331 1.143 1 1 192 . 20 1 1 A 40 40 ASN N N 18 118.013 118.319 -0.306 1 1 193 . 20 1 1 A 41 41 ARG H H 19 8.425 8.275 0.150 1 1 194 . 20 1 1 A 41 41 ARG HA H 19 4.010 4.153 -0.143 1 1 201 . 20 1 1 A 41 41 ARG C C 19 180.050 178.316 1.734 1 1 202 . 20 1 1 A 41 41 ARG CA C 19 59.734 58.471 1.263 1 1 203 . 20 1 1 A 41 41 ARG CB C 19 30.877 29.921 0.956 1 1 206 . 20 1 1 A 41 41 ARG N N 19 116.687 119.657 -2.970 1 1 207 . 20 1 1 A 42 42 LEU H H 20 8.731 8.835 -0.104 1 1 208 . 20 1 1 A 42 42 LEU HA H 20 3.904 3.688 0.216 1 1 218 . 20 1 1 A 42 42 LEU C C 20 178.690 178.588 0.102 1 1 219 . 20 1 1 A 42 42 LEU CA C 20 58.238 57.757 0.481 1 1 220 . 20 1 1 A 42 42 LEU CB C 20 41.659 41.512 0.147 1 1 224 . 20 1 1 A 42 42 LEU N N 20 120.849 119.629 1.220 1 1 225 . 20 1 1 A 43 43 CYS H H 21 8.241 8.568 -0.327 1 1 226 . 20 1 1 A 43 43 CYS HA H 21 4.268 4.153 0.115 1 1 229 . 20 1 1 A 43 43 CYS C C 21 177.530 176.646 0.884 1 1 230 . 20 1 1 A 43 43 CYS CA C 21 65.374 62.380 2.994 1 1 231 . 20 1 1 A 43 43 CYS CB C 21 27.962 27.287 0.675 1 1 232 . 20 1 1 A 43 43 CYS N N 21 115.952 117.576 -1.624 1 1 233 . 20 1 1 A 44 44 LYS H H 22 8.364 8.010 0.354 1 1 234 . 20 1 1 A 44 44 LYS HA H 22 4.091 4.217 -0.126 1 1 243 . 20 1 1 A 44 44 LYS C C 22 179.020 178.681 0.339 1 1 244 . 20 1 1 A 44 44 LYS CA C 22 59.004 57.953 1.051 1 1 245 . 20 1 1 A 44 44 LYS CB C 22 31.921 32.546 -0.625 1 1 249 . 20 1 1 A 44 44 LYS N N 22 119.823 120.333 -0.510 1 1 250 . 20 1 1 A 45 45 HIS H H 23 8.036 7.769 0.267 1 1 251 . 20 1 1 A 45 45 HIS HA H 23 4.408 4.169 0.239 1 1 255 . 20 1 1 A 45 45 HIS C C 23 177.870 177.798 0.072 1 1 256 . 20 1 1 A 45 45 HIS CA C 23 60.404 58.673 1.731 1 1 257 . 20 1 1 A 45 45 HIS CB C 23 30.954 30.103 0.851 1 1 258 . 20 1 1 A 45 45 HIS N N 23 118.729 117.116 1.613 1 1 259 . 20 1 1 A 46 46 TRP H H 24 8.426 8.299 0.127 1 1 260 . 20 1 1 A 46 46 TRP HA H 24 4.903 4.540 0.363 1 1 265 . 20 1 1 A 46 46 TRP C C 24 177.900 177.939 -0.039 1 1 266 . 20 1 1 A 46 46 TRP CA C 24 58.973 59.713 -0.740 1 1 267 . 20 1 1 A 46 46 TRP CB C 24 29.328 28.668 0.660 1 1 268 . 20 1 1 A 46 46 TRP N N 24 117.297 118.616 -1.319 1 1 270 . 20 1 1 A 47 47 GLY H H 25 8.254 8.041 0.213 1 1 271 . 20 1 1 A 47 47 GLY HA2 H 25 4.362 4.006 0.356 1 1 272 . 20 1 1 A 47 47 GLY HA3 H 25 3.936 4.069 -0.133 1 1 273 . 20 1 1 A 47 47 GLY CA C 25 46.812 47.366 -0.554 1 1 274 . 20 1 1 A 47 47 GLY N N 25 108.683 108.196 0.487 1 1 275 . 20 1 1 A 48 48 HIS C C 26 176.030 175.167 0.863 1 1 276 . 20 1 1 A 48 48 HIS CA C 26 58.358 57.342 1.016 1 1 277 . 20 1 1 A 48 48 HIS CB C 26 30.438 32.004 -1.566 1 1 278 . 20 1 1 A 49 49 LYS H H 27 7.544 7.977 -0.433 1 1 279 . 20 1 1 A 49 49 LYS HA H 27 4.236 4.370 -0.134 1 1 288 . 20 1 1 A 49 49 LYS C C 27 174.880 174.394 0.486 1 1 289 . 20 1 1 A 49 49 LYS CA C 27 56.572 55.335 1.237 1 1 290 . 20 1 1 A 49 49 LYS CB C 27 35.793 34.030 1.763 1 1 294 . 20 1 1 A 49 49 LYS N N 27 117.278 119.871 -2.593 1 1 295 . 20 1 1 A 50 50 PHE H H 28 8.178 7.630 0.548 1 1 296 . 20 1 1 A 50 50 PHE HA H 28 5.016 5.036 -0.020 1 1 301 . 20 1 1 A 50 50 PHE C C 28 174.190 174.988 -0.798 1 1 302 . 20 1 1 A 50 50 PHE CA C 28 55.756 56.585 -0.829 1 1 303 . 20 1 1 A 50 50 PHE CB C 28 41.140 43.156 -2.016 1 1 304 . 20 1 1 A 50 50 PHE N N 28 118.846 118.968 -0.122 1 1 305 . 20 1 1 A 51 51 GLU H H 29 7.812 8.444 -0.632 1 1 306 . 20 1 1 A 51 51 GLU HA H 29 4.449 4.436 0.013 1 1 311 . 20 1 1 A 51 51 GLU C C 29 175.570 176.029 -0.459 1 1 312 . 20 1 1 A 51 51 GLU CA C 29 56.852 56.379 0.473 1 1 313 . 20 1 1 A 51 51 GLU CB C 29 30.207 29.787 0.420 1 1 315 . 20 1 1 A 51 51 GLU N N 29 120.355 121.262 -0.907 1 1 316 . 20 1 1 A 52 52 VAL H H 30 8.395 8.939 -0.544 1 1 317 . 20 1 1 A 52 52 VAL HA H 30 5.383 5.502 -0.119 1 1 325 . 20 1 1 A 52 52 VAL C C 30 175.850 174.425 1.425 1 1 326 . 20 1 1 A 52 52 VAL CA C 30 59.969 60.411 -0.442 1 1 327 . 20 1 1 A 52 52 VAL CB C 30 36.173 34.016 2.157 1 1 330 . 20 1 1 A 52 52 VAL N N 30 124.120 121.030 3.090 1 1 331 . 20 1 1 A 53 53 GLU H H 31 9.289 9.502 -0.213 1 1 332 . 20 1 1 A 53 53 GLU HA H 31 4.717 4.894 -0.177 1 1 337 . 20 1 1 A 53 53 GLU C C 31 174.370 175.025 -0.655 1 1 338 . 20 1 1 A 53 53 GLU CA C 31 55.415 55.969 -0.554 1 1 339 . 20 1 1 A 53 53 GLU CB C 31 33.211 31.920 1.291 1 1 341 . 20 1 1 A 53 53 GLU N N 31 126.346 128.039 -1.693 1 1 342 . 20 1 1 A 54 54 LEU H H 32 8.763 8.648 0.115 1 1 343 . 20 1 1 A 54 54 LEU HA H 32 5.375 4.969 0.406 1 1 353 . 20 1 1 A 54 54 LEU C C 32 175.100 175.167 -0.067 1 1 354 . 20 1 1 A 54 54 LEU CA C 32 55.010 54.434 0.576 1 1 355 . 20 1 1 A 54 54 LEU CB C 32 45.485 45.348 0.137 1 1 359 . 20 1 1 A 54 54 LEU N N 32 126.898 123.824 3.074 1 1 360 . 20 1 1 A 55 55 THR H H 33 9.159 8.365 0.794 1 1 361 . 20 1 1 A 55 55 THR HA H 33 4.886 5.098 -0.212 1 1 366 . 20 1 1 A 55 55 THR CA C 33 59.489 58.578 0.911 1 1 367 . 20 1 1 A 55 55 THR CB C 33 69.241 70.218 -0.977 1 1 369 . 20 1 1 A 55 55 THR N N 33 121.246 117.037 4.209 1 1 370 . 20 1 1 A 56 56 PRO HA H 34 4.269 4.596 -0.327 1 1 377 . 20 1 1 A 56 56 PRO C C 34 177.750 175.486 2.264 1 1 378 . 20 1 1 A 56 56 PRO CA C 34 65.968 62.821 3.147 1 1 379 . 20 1 1 A 56 56 PRO CB C 34 31.786 29.671 2.115 1 1 382 . 20 1 1 A 57 57 GLU H H 35 8.148 8.705 -0.557 1 1 383 . 20 1 1 A 57 57 GLU HA H 35 4.351 4.495 -0.144 1 1 388 . 20 1 1 A 57 57 GLU C C 35 175.720 175.883 -0.163 1 1 389 . 20 1 1 A 57 57 GLU CA C 35 57.085 56.838 0.247 1 1 390 . 20 1 1 A 57 57 GLU CB C 35 30.299 32.387 -2.088 1 1 392 . 20 1 1 A 57 57 GLU N N 35 112.303 120.370 -8.067 1 1 393 . 20 1 1 A 58 58 ARG H H 36 7.777 7.841 -0.064 1 1 394 . 20 1 1 A 58 58 ARG HA H 36 5.418 4.997 0.421 1 1 401 . 20 1 1 A 58 58 ARG C C 36 173.610 173.931 -0.321 1 1 402 . 20 1 1 A 58 58 ARG CA C 36 55.576 54.969 0.607 1 1 403 . 20 1 1 A 58 58 ARG CB C 36 33.324 32.588 0.736 1 1 406 . 20 1 1 A 58 58 ARG N N 36 122.018 115.327 6.691 1 1 407 . 20 1 1 A 59 59 GLY H H 37 9.650 9.102 0.548 1 1 408 . 20 1 1 A 59 59 GLY HA2 H 37 5.484 4.320 1.164 1 1 409 . 20 1 1 A 59 59 GLY HA3 H 37 3.554 4.342 -0.788 1 1 410 . 20 1 1 A 59 59 GLY C C 37 171.630 172.038 -0.408 1 1 411 . 20 1 1 A 59 59 GLY CA C 37 44.563 44.105 0.458 1 1 412 . 20 1 1 A 59 59 GLY N N 37 113.745 106.801 6.944 1 1 413 . 20 1 1 A 60 60 PHE H H 38 9.138 8.476 0.662 1 1 414 . 20 1 1 A 60 60 PHE HA H 38 5.472 5.175 0.297 1 1 419 . 20 1 1 A 60 60 PHE C C 38 173.180 174.259 -1.079 1 1 420 . 20 1 1 A 60 60 PHE CA C 38 57.234 56.427 0.807 1 1 421 . 20 1 1 A 60 60 PHE CB C 38 43.107 42.237 0.870 1 1 422 . 20 1 1 A 60 60 PHE N N 38 124.144 121.593 2.551 1 1 423 . 20 1 1 A 61 61 ILE H H 39 8.618 9.154 -0.536 1 1 424 . 20 1 1 A 61 61 ILE HA H 39 4.226 5.222 -0.996 1 1 434 . 20 1 1 A 61 61 ILE C C 39 172.950 174.026 -1.076 1 1 435 . 20 1 1 A 61 61 ILE CA C 39 60.357 60.690 -0.333 1 1 436 . 20 1 1 A 61 61 ILE CB C 39 41.488 39.810 1.678 1 1 440 . 20 1 1 A 61 61 ILE N N 39 126.753 126.460 0.293 1 1 441 . 20 1 1 A 62 62 ASP H H 40 8.192 8.521 -0.329 1 1 442 . 20 1 1 A 62 62 ASP HA H 40 4.464 5.248 -0.784 1 1 445 . 20 1 1 A 62 62 ASP C C 40 176.240 176.244 -0.004 1 1 446 . 20 1 1 A 62 62 ASP CA C 40 52.208 52.828 -0.620 1 1 447 . 20 1 1 A 62 62 ASP CB C 40 41.489 43.386 -1.897 1 1 448 . 20 1 1 A 62 62 ASP N N 40 124.314 128.789 -4.475 1 1 449 . 20 1 1 A 63 63 PHE H H 41 8.165 9.024 -0.859 1 1 450 . 20 1 1 A 63 63 PHE HA H 41 4.007 4.526 -0.519 1 1 454 . 20 1 1 A 63 63 PHE C C 41 175.640 175.754 -0.114 1 1 455 . 20 1 1 A 63 63 PHE CA C 41 58.407 57.963 0.444 1 1 456 . 20 1 1 A 63 63 PHE CB C 41 38.486 39.536 -1.050 1 1 457 . 20 1 1 A 63 63 PHE N N 41 123.395 122.917 0.478 1 1 458 . 20 1 1 A 64 64 GLY H H 42 9.003 7.785 1.218 1 1 459 . 20 1 1 A 64 64 GLY HA2 H 42 4.675 4.102 0.573 1 1 460 . 20 1 1 A 64 64 GLY HA3 H 42 3.484 4.134 -0.650 1 1 461 . 20 1 1 A 64 64 GLY CA C 42 45.938 46.033 -0.095 1 1 462 . 20 1 1 A 64 64 GLY N N 42 112.196 107.010 5.186 1 1 463 . 20 1 1 A 65 65 ASP HA H 43 4.675 4.654 0.021 1 1 466 . 20 1 1 A 65 65 ASP C C 43 176.170 175.468 0.702 1 1 467 . 20 1 1 A 65 65 ASP CA C 43 55.415 53.775 1.640 1 1 468 . 20 1 1 A 65 65 ASP CB C 43 41.379 40.039 1.340 1 1 469 . 20 1 1 A 66 66 SER H H 44 7.743 7.669 0.074 1 1 470 . 20 1 1 A 66 66 SER HA H 44 5.292 5.074 0.218 1 1 473 . 20 1 1 A 66 66 SER C C 44 172.190 172.429 -0.239 1 1 474 . 20 1 1 A 66 66 SER CA C 44 57.890 57.566 0.324 1 1 475 . 20 1 1 A 66 66 SER CB C 44 66.054 65.418 0.636 1 1 476 . 20 1 1 A 66 66 SER N N 44 112.796 111.441 1.355 1 1 477 . 20 1 1 A 67 67 ASN H H 45 9.075 8.811 0.264 1 1 478 . 20 1 1 A 67 67 ASN HA H 45 5.126 5.305 -0.179 1 1 481 . 20 1 1 A 67 67 ASN C C 45 172.300 173.524 -1.224 1 1 482 . 20 1 1 A 67 67 ASN CA C 45 52.997 52.578 0.419 1 1 483 . 20 1 1 A 67 67 ASN CB C 45 42.047 42.630 -0.583 1 1 484 . 20 1 1 A 67 67 ASN N N 45 114.955 116.686 -1.731 1 1 485 . 20 1 1 A 68 68 CYS H H 46 8.757 8.363 0.394 1 1 486 . 20 1 1 A 68 68 CYS HA H 46 5.652 4.938 0.714 1 1 489 . 20 1 1 A 68 68 CYS C C 46 170.650 172.977 -2.327 1 1 490 . 20 1 1 A 68 68 CYS CA C 46 56.668 58.749 -2.081 1 1 491 . 20 1 1 A 68 68 CYS CB C 46 31.195 29.460 1.735 1 1 492 . 20 1 1 A 68 68 CYS N N 46 119.184 119.675 -0.491 1 1 493 . 20 1 1 A 69 69 GLU H H 47 9.587 9.089 0.498 1 1 494 . 20 1 1 A 69 69 GLU HA H 47 5.283 5.038 0.245 1 1 499 . 20 1 1 A 69 69 GLU C C 47 174.190 174.933 -0.743 1 1 500 . 20 1 1 A 69 69 GLU CA C 47 54.401 55.473 -1.072 1 1 501 . 20 1 1 A 69 69 GLU CB C 47 33.607 31.024 2.583 1 1 503 . 20 1 1 A 69 69 GLU N N 47 131.612 128.334 3.278 1 1 504 . 20 1 1 A 70 70 LEU H H 48 9.523 8.945 0.578 1 1 505 . 20 1 1 A 70 70 LEU HA H 48 5.314 4.911 0.403 1 1 515 . 20 1 1 A 70 70 LEU C C 48 174.730 173.899 0.831 1 1 516 . 20 1 1 A 70 70 LEU CA C 48 53.570 54.028 -0.458 1 1 517 . 20 1 1 A 70 70 LEU CB C 48 46.109 45.638 0.471 1 1 521 . 20 1 1 A 70 70 LEU N N 48 125.069 125.227 -0.158 1 1 522 . 20 1 1 A 71 71 LEU H H 49 9.493 9.274 0.219 1 1 523 . 20 1 1 A 71 71 LEU HA H 49 5.001 4.952 0.049 1 1 533 . 20 1 1 A 71 71 LEU C C 49 175.310 174.968 0.342 1 1 534 . 20 1 1 A 71 71 LEU CA C 49 53.809 53.749 0.060 1 1 535 . 20 1 1 A 71 71 LEU CB C 49 42.880 43.963 -1.083 1 1 539 . 20 1 1 A 71 71 LEU N N 49 123.714 128.694 -4.980 1 1 540 . 20 1 1 A 72 72 ALA H H 50 8.255 8.299 -0.044 1 1 541 . 20 1 1 A 72 72 ALA HA H 50 4.307 5.120 -0.813 1 1 545 . 20 1 1 A 72 72 ALA C C 50 174.800 175.238 -0.438 1 1 546 . 20 1 1 A 72 72 ALA CA C 50 51.618 51.423 0.195 1 1 547 . 20 1 1 A 72 72 ALA CB C 50 18.634 21.460 -2.826 1 1 548 . 20 1 1 A 72 72 ALA N N 50 125.398 127.761 -2.363 1 1 549 . 20 1 1 A 73 73 HIS H H 51 8.053 9.446 -1.393 1 1 550 . 20 1 1 A 73 73 HIS HA H 51 4.953 4.959 -0.006 1 1 554 . 20 1 1 A 73 73 HIS CA C 51 54.682 53.781 0.901 1 1 555 . 20 1 1 A 73 73 HIS CB C 51 31.150 32.637 -1.487 1 1 556 . 20 1 1 A 73 73 HIS N N 51 123.172 124.419 -1.247 1 1 557 . 20 1 1 A 74 74 PRO HA H 52 4.385 4.122 0.263 1 1 564 . 20 1 1 A 74 74 PRO C C 52 176.370 176.862 -0.492 1 1 565 . 20 1 1 A 74 74 PRO CA C 52 65.625 64.976 0.649 1 1 566 . 20 1 1 A 74 74 PRO CB C 52 32.014 31.930 0.084 1 1 569 . 20 1 1 A 75 75 ASP H H 53 8.303 8.156 0.147 1 1 570 . 20 1 1 A 75 75 ASP HA H 53 4.955 5.416 -0.461 1 1 573 . 20 1 1 A 75 75 ASP C C 53 177.380 175.201 2.179 1 1 574 . 20 1 1 A 75 75 ASP CA C 53 52.034 53.357 -1.323 1 1 575 . 20 1 1 A 75 75 ASP CB C 53 41.826 42.971 -1.145 1 1 576 . 20 1 1 A 75 75 ASP N N 53 109.961 117.009 -7.048 1 1 577 . 20 1 1 A 76 76 HIS H H 54 7.379 7.284 0.095 1 1 578 . 20 1 1 A 76 76 HIS HA H 54 5.421 5.385 0.036 1 1 582 . 20 1 1 A 76 76 HIS C C 54 172.470 172.812 -0.342 1 1 583 . 20 1 1 A 76 76 HIS CA C 54 56.943 54.233 2.710 1 1 584 . 20 1 1 A 76 76 HIS CB C 54 29.909 33.749 -3.840 1 1 585 . 20 1 1 A 76 76 HIS N N 54 114.752 116.311 -1.559 1 1 586 . 20 1 1 A 77 77 VAL H H 55 8.933 8.396 0.537 1 1 587 . 20 1 1 A 77 77 VAL HA H 55 4.837 5.076 -0.239 1 1 595 . 20 1 1 A 77 77 VAL C C 55 173.420 173.772 -0.352 1 1 596 . 20 1 1 A 77 77 VAL CA C 55 59.429 59.887 -0.458 1 1 597 . 20 1 1 A 77 77 VAL CB C 55 35.121 35.588 -0.467 1 1 600 . 20 1 1 A 77 77 VAL N N 55 117.287 119.544 -2.257 1 1 601 . 20 1 1 A 78 78 LEU H H 56 9.004 9.629 -0.625 1 1 602 . 20 1 1 A 78 78 LEU HA H 56 5.466 5.344 0.122 1 1 612 . 20 1 1 A 78 78 LEU C C 56 175.140 175.641 -0.501 1 1 613 . 20 1 1 A 78 78 LEU CA C 56 53.084 53.792 -0.708 1 1 614 . 20 1 1 A 78 78 LEU CB C 56 44.499 45.709 -1.210 1 1 618 . 20 1 1 A 78 78 LEU N N 56 130.334 128.098 2.236 1 1 619 . 20 1 1 A 79 79 MET H H 57 9.381 8.789 0.592 1 1 620 . 20 1 1 A 79 79 MET HA H 57 5.678 5.229 0.449 1 1 625 . 20 1 1 A 79 79 MET C C 57 175.160 174.680 0.480 1 1 626 . 20 1 1 A 79 79 MET CA C 57 54.216 54.349 -0.133 1 1 627 . 20 1 1 A 79 79 MET CB C 57 37.309 35.106 2.203 1 1 629 . 20 1 1 A 79 79 MET N N 57 124.304 122.422 1.882 1 1 630 . 20 1 1 A 80 80 ILE H H 58 9.552 8.582 0.970 1 1 631 . 20 1 1 A 80 80 ILE HA H 58 4.957 5.102 -0.145 1 1 641 . 20 1 1 A 80 80 ILE C C 58 175.160 175.491 -0.331 1 1 642 . 20 1 1 A 80 80 ILE CA C 58 61.338 60.001 1.337 1 1 643 . 20 1 1 A 80 80 ILE CB C 58 41.092 41.143 -0.051 1 1 647 . 20 1 1 A 80 80 ILE N N 58 122.359 124.610 -2.251 1 1 648 . 20 1 1 A 81 81 LEU H H 59 9.549 8.595 0.954 1 1 649 . 20 1 1 A 81 81 LEU HA H 59 5.274 5.233 0.041 1 1 659 . 20 1 1 A 81 81 LEU C C 59 174.280 174.883 -0.603 1 1 660 . 20 1 1 A 81 81 LEU CA C 59 53.621 52.595 1.026 1 1 661 . 20 1 1 A 81 81 LEU CB C 59 46.837 45.467 1.370 1 1 665 . 20 1 1 A 81 81 LEU N N 59 131.901 124.871 7.030 1 1 666 . 20 1 1 A 82 82 ASN H H 60 8.516 8.651 -0.135 1 1 667 . 20 1 1 A 82 82 ASN HA H 60 5.851 5.330 0.521 1 1 670 . 20 1 1 A 82 82 ASN C C 60 174.840 173.875 0.965 1 1 671 . 20 1 1 A 82 82 ASN CA C 60 52.549 51.874 0.675 1 1 672 . 20 1 1 A 82 82 ASN CB C 60 43.188 40.218 2.970 1 1 673 . 20 1 1 A 82 82 ASN N N 60 120.142 121.045 -0.903 1 1 674 . 20 1 1 A 83 83 SER H H 61 9.176 8.442 0.734 1 1 675 . 20 1 1 A 83 83 SER HA H 61 5.295 4.873 0.422 1 1 678 . 20 1 1 A 83 83 SER CA C 61 57.388 55.583 1.805 1 1 679 . 20 1 1 A 83 83 SER CB C 61 68.052 66.111 1.941 1 1 680 . 20 1 1 A 83 83 SER N N 61 116.871 121.136 -4.265 1 1 681 . 20 1 1 A 84 84 PRO HA H 62 4.907 4.034 0.873 1 1 688 . 20 1 1 A 84 84 PRO C C 62 175.210 174.767 0.443 1 1 689 . 20 1 1 A 84 84 PRO CA C 62 64.539 63.657 0.882 1 1 690 . 20 1 1 A 84 84 PRO CB C 62 32.726 31.681 1.045 1 1 693 . 20 1 1 A 85 85 ASP H H 63 7.228 7.240 -0.012 1 1 694 . 20 1 1 A 85 85 ASP HA H 63 4.630 5.217 -0.587 1 1 697 . 20 1 1 A 85 85 ASP C C 63 174.540 176.456 -1.916 1 1 698 . 20 1 1 A 85 85 ASP CA C 63 53.119 52.792 0.327 1 1 699 . 20 1 1 A 85 85 ASP CB C 63 42.880 43.639 -0.759 1 1 700 . 20 1 1 A 85 85 ASP N N 63 112.313 112.943 -0.630 1 1 701 . 20 1 1 A 86 86 GLU H H 64 8.761 9.508 -0.747 1 1 702 . 20 1 1 A 86 86 GLU HA H 64 3.321 4.149 -0.828 1 1 707 . 20 1 1 A 86 86 GLU C C 64 178.440 178.620 -0.180 1 1 708 . 20 1 1 A 86 86 GLU CA C 64 59.937 59.663 0.274 1 1 709 . 20 1 1 A 86 86 GLU CB C 64 29.707 29.649 0.058 1 1 711 . 20 1 1 A 86 86 GLU N N 64 120.055 121.558 -1.503 1 1 712 . 20 1 1 A 87 87 ASP H H 65 8.332 8.391 -0.059 1 1 713 . 20 1 1 A 87 87 ASP HA H 65 4.414 4.312 0.102 1 1 716 . 20 1 1 A 87 87 ASP C C 65 179.400 178.039 1.361 1 1 717 . 20 1 1 A 87 87 ASP CA C 65 57.203 57.656 -0.453 1 1 718 . 20 1 1 A 87 87 ASP CB C 65 40.323 41.253 -0.930 1 1 719 . 20 1 1 A 87 87 ASP N N 65 121.933 120.430 1.503 1 1 720 . 20 1 1 A 88 88 SER H H 66 8.949 7.967 0.982 1 1 721 . 20 1 1 A 88 88 SER HA H 66 4.169 4.188 -0.019 1 1 724 . 20 1 1 A 88 88 SER C C 66 176.110 177.072 -0.962 1 1 725 . 20 1 1 A 88 88 SER CA C 66 62.032 61.622 0.410 1 1 726 . 20 1 1 A 88 88 SER CB C 66 62.178 63.087 -0.909 1 1 727 . 20 1 1 A 88 88 SER N N 66 119.726 113.805 5.921 1 1 728 . 20 1 1 A 89 89 LEU H H 67 7.737 8.798 -1.061 1 1 729 . 20 1 1 A 89 89 LEU HA H 67 4.017 4.413 -0.396 1 1 739 . 20 1 1 A 89 89 LEU C C 67 177.790 178.155 -0.365 1 1 740 . 20 1 1 A 89 89 LEU CA C 67 57.958 58.399 -0.441 1 1 741 . 20 1 1 A 89 89 LEU CB C 67 42.394 42.290 0.104 1 1 745 . 20 1 1 A 89 89 LEU N N 67 122.942 122.281 0.661 1 1 746 . 20 1 1 A 90 90 ALA H H 68 7.483 9.450 -1.967 1 1 747 . 20 1 1 A 90 90 ALA HA H 68 3.780 4.005 -0.225 1 1 751 . 20 1 1 A 90 90 ALA C C 68 180.410 179.399 1.011 1 1 752 . 20 1 1 A 90 90 ALA CA C 68 54.782 54.682 0.100 1 1 753 . 20 1 1 A 90 90 ALA CB C 68 17.857 18.421 -0.564 1 1 754 . 20 1 1 A 90 90 ALA N N 68 119.446 120.509 -1.063 1 1 755 . 20 1 1 A 91 91 HIS H H 69 7.707 8.265 -0.558 1 1 756 . 20 1 1 A 91 91 HIS HA H 69 4.377 3.971 0.406 1 1 760 . 20 1 1 A 91 91 HIS C C 69 177.865 177.081 0.784 1 1 761 . 20 1 1 A 91 91 HIS CA C 69 59.518 59.502 0.016 1 1 762 . 20 1 1 A 91 91 HIS CB C 69 30.954 29.541 1.413 1 1 763 . 20 1 1 A 91 91 HIS N N 69 116.881 117.860 -0.979 1 1 764 . 20 1 1 A 92 92 MET H H 70 8.467 8.344 0.123 1 1 765 . 20 1 1 A 92 92 MET HA H 70 4.087 3.977 0.110 1 1 770 . 20 1 1 A 92 92 MET C C 70 178.390 178.088 0.302 1 1 771 . 20 1 1 A 92 92 MET CA C 70 55.584 58.629 -3.045 1 1 772 . 20 1 1 A 92 92 MET CB C 70 29.773 33.342 -3.569 1 1 774 . 20 1 1 A 92 92 MET N N 70 116.968 116.819 0.149 1 1 775 . 20 1 1 A 93 93 GLN H H 71 8.309 8.249 0.060 1 1 776 . 20 1 1 A 93 93 GLN HA H 71 2.874 4.031 -1.157 1 1 781 . 20 1 1 A 93 93 GLN C C 71 178.420 177.998 0.422 1 1 782 . 20 1 1 A 93 93 GLN CA C 71 58.852 58.489 0.363 1 1 783 . 20 1 1 A 93 93 GLN CB C 71 27.658 28.004 -0.346 1 1 785 . 20 1 1 A 93 93 GLN N N 71 120.665 117.236 3.429 1 1 786 . 20 1 1 A 94 94 ASN H H 72 6.899 8.099 -1.200 1 1 787 . 20 1 1 A 94 94 ASN HA H 72 4.596 4.415 0.181 1 1 790 . 20 1 1 A 94 94 ASN C C 72 177.380 177.512 -0.132 1 1 791 . 20 1 1 A 94 94 ASN CA C 72 56.037 56.100 -0.063 1 1 792 . 20 1 1 A 94 94 ASN CB C 72 38.219 38.429 -0.210 1 1 793 . 20 1 1 A 94 94 ASN N N 72 116.271 118.910 -2.639 1 1 794 . 20 1 1 A 95 95 VAL H H 73 8.050 7.675 0.375 1 1 795 . 20 1 1 A 95 95 VAL HA H 73 3.983 3.392 0.591 1 1 803 . 20 1 1 A 95 95 VAL C C 73 180.050 178.344 1.706 1 1 804 . 20 1 1 A 95 95 VAL CA C 73 66.515 66.414 0.101 1 1 805 . 20 1 1 A 95 95 VAL CB C 73 32.587 31.408 1.179 1 1 808 . 20 1 1 A 95 95 VAL N N 73 121.798 119.678 2.120 1 1 809 . 20 1 1 A 96 96 VAL H H 74 9.082 7.714 1.368 1 1 810 . 20 1 1 A 96 96 VAL HA H 74 3.986 3.322 0.664 1 1 818 . 20 1 1 A 96 96 VAL C C 74 177.490 178.076 -0.586 1 1 819 . 20 1 1 A 96 96 VAL CA C 74 67.947 66.293 1.654 1 1 820 . 20 1 1 A 96 96 VAL CB C 74 31.966 31.415 0.551 1 1 823 . 20 1 1 A 96 96 VAL N N 74 120.549 120.617 -0.068 1 1 824 . 20 1 1 A 97 97 ALA H H 75 8.285 7.749 0.536 1 1 825 . 20 1 1 A 97 97 ALA HA H 75 4.108 3.979 0.129 1 1 829 . 20 1 1 A 97 97 ALA C C 75 179.320 179.244 0.076 1 1 830 . 20 1 1 A 97 97 ALA CA C 75 56.117 54.748 1.369 1 1 831 . 20 1 1 A 97 97 ALA CB C 75 19.867 18.440 1.427 1 1 832 . 20 1 1 A 97 97 ALA N N 75 120.375 121.721 -1.346 1 1 833 . 20 1 1 A 98 98 ASP H H 76 8.522 7.638 0.884 1 1 834 . 20 1 1 A 98 98 ASP HA H 76 4.356 4.362 -0.006 1 1 837 . 20 1 1 A 98 98 ASP C C 76 179.100 178.719 0.381 1 1 838 . 20 1 1 A 98 98 ASP CA C 76 57.252 57.096 0.156 1 1 839 . 20 1 1 A 98 98 ASP CB C 76 41.335 40.779 0.556 1 1 840 . 20 1 1 A 98 98 ASP N N 76 116.871 118.776 -1.905 1 1 841 . 20 1 1 A 99 99 HIS H H 77 8.162 7.713 0.449 1 1 842 . 20 1 1 A 99 99 HIS HA H 77 3.847 4.375 -0.528 1 1 846 . 20 1 1 A 99 99 HIS C C 77 177.440 178.004 -0.564 1 1 847 . 20 1 1 A 99 99 HIS CA C 77 61.636 59.614 2.022 1 1 848 . 20 1 1 A 99 99 HIS CB C 77 29.328 30.126 -0.798 1 1 849 . 20 1 1 A 99 99 HIS N N 77 116.758 118.508 -1.750 1 1 850 . 20 1 1 A 100 100 LEU H H 78 8.718 8.441 0.277 1 1 851 . 20 1 1 A 100 100 LEU HA H 78 3.862 3.965 -0.103 1 1 861 . 20 1 1 A 100 100 LEU C C 78 177.720 179.570 -1.850 1 1 862 . 20 1 1 A 100 100 LEU CA C 78 58.746 57.449 1.297 1 1 863 . 20 1 1 A 100 100 LEU CB C 78 40.324 41.181 -0.857 1 1 867 . 20 1 1 A 100 100 LEU N N 78 120.332 119.332 1.000 1 1 868 . 20 1 1 A 101 101 GLN H H 79 8.167 8.304 -0.137 1 1 869 . 20 1 1 A 101 101 GLN HA H 79 3.973 4.011 -0.038 1 1 874 . 20 1 1 A 101 101 GLN C C 79 178.990 179.176 -0.186 1 1 875 . 20 1 1 A 101 101 GLN CA C 79 58.359 59.066 -0.707 1 1 876 . 20 1 1 A 101 101 GLN CB C 79 29.575 28.415 1.160 1 1 878 . 20 1 1 A 101 101 GLN N N 79 115.715 120.088 -4.373 1 1 879 . 20 1 1 A 102 102 ARG H H 80 7.835 7.735 0.100 1 1 880 . 20 1 1 A 102 102 ARG HA H 80 3.990 4.039 -0.049 1 1 887 . 20 1 1 A 102 102 ARG C C 80 178.540 178.664 -0.124 1 1 888 . 20 1 1 A 102 102 ARG CA C 80 58.789 59.231 -0.442 1 1 889 . 20 1 1 A 102 102 ARG CB C 80 30.218 30.155 0.063 1 1 892 . 20 1 1 A 102 102 ARG N N 80 118.207 119.657 -1.450 1 1 893 . 20 1 1 A 103 103 MET H H 81 7.645 8.059 -0.414 1 1 894 . 20 1 1 A 103 103 MET HA H 81 4.353 4.223 0.130 1 1 899 . 20 1 1 A 103 103 MET C C 81 176.300 175.668 0.632 1 1 900 . 20 1 1 A 103 103 MET CA C 81 55.646 56.649 -1.003 1 1 901 . 20 1 1 A 103 103 MET CB C 81 32.620 32.229 0.391 1 1 903 . 20 1 1 A 103 103 MET N N 81 116.250 116.481 -0.231 1 1 904 . 20 1 1 A 104 104 ALA H H 82 7.324 7.715 -0.391 1 1 905 . 20 1 1 A 104 104 ALA HA H 82 4.386 4.743 -0.357 1 1 909 . 20 1 1 A 104 104 ALA CA C 82 51.004 50.588 0.416 1 1 910 . 20 1 1 A 104 104 ALA CB C 82 17.678 20.643 -2.965 1 1 911 . 20 1 1 A 104 104 ALA N N 82 123.602 122.380 1.222 1 1 912 . 20 1 1 A 106 106 SER HA H 84 4.610 4.688 -0.078 1 1 915 . 20 1 1 A 106 106 SER C C 84 173.480 173.529 -0.049 1 1 916 . 20 1 1 A 106 106 SER CA C 84 58.041 58.429 -0.388 1 1 917 . 20 1 1 A 106 106 SER CB C 84 64.139 65.183 -1.044 1 1 918 . 20 1 1 A 107 107 GLU H H 85 7.443 7.788 -0.345 1 1 919 . 20 1 1 A 107 107 GLU HA H 85 4.640 4.740 -0.100 1 1 924 . 20 1 1 A 107 107 GLU CA C 85 55.058 55.007 0.051 1 1 925 . 20 1 1 A 107 107 GLU CB C 85 32.203 32.184 0.019 1 1 927 . 20 1 1 A 107 107 GLU N N 85 119.316 117.944 1.372 1 1 928 . 20 1 1 A 108 108 SER HA H 86 4.549 4.928 -0.379 1 1 931 . 20 1 1 A 108 108 SER C C 86 174.220 174.428 -0.208 1 1 932 . 20 1 1 A 108 108 SER CA C 86 57.291 57.903 -0.612 1 1 933 . 20 1 1 A 108 108 SER CB C 86 62.819 62.181 0.638 1 1 934 . 20 1 1 A 109 109 LEU H H 87 9.011 8.409 0.602 1 1 935 . 20 1 1 A 109 109 LEU HA H 87 4.606 3.948 0.658 1 1 945 . 20 1 1 A 109 109 LEU C C 87 176.720 176.175 0.545 1 1 946 . 20 1 1 A 109 109 LEU CA C 87 54.024 55.541 -1.517 1 1 947 . 20 1 1 A 109 109 LEU CB C 87 43.358 40.780 2.578 1 1 951 . 20 1 1 A 109 109 LEU N N 87 126.582 118.334 8.248 1 1 952 . 20 1 1 A 110 110 GLU H H 88 8.530 8.902 -0.372 1 1 953 . 20 1 1 A 110 110 GLU HA H 88 4.541 4.575 -0.034 1 1 958 . 20 1 1 A 110 110 GLU C C 88 175.340 176.099 -0.759 1 1 959 . 20 1 1 A 110 110 GLU CA C 88 55.555 56.477 -0.922 1 1 960 . 20 1 1 A 110 110 GLU CB C 88 29.970 29.966 0.004 1 1 962 . 20 1 1 A 110 110 GLU N N 88 123.263 125.875 -2.612 1 1 963 . 20 1 1 A 111 111 ILE H H 89 8.842 8.508 0.334 1 1 964 . 20 1 1 A 111 111 ILE HA H 89 3.911 4.991 -1.080 1 1 974 . 20 1 1 A 111 111 ILE C C 89 173.250 174.163 -0.913 1 1 975 . 20 1 1 A 111 111 ILE CA C 89 61.207 59.339 1.868 1 1 976 . 20 1 1 A 111 111 ILE CB C 89 38.989 41.157 -2.168 1 1 980 . 20 1 1 A 111 111 ILE N N 89 128.558 121.886 6.672 1 1 981 . 20 1 1 A 112 112 ALA H H 90 8.651 8.962 -0.311 1 1 982 . 20 1 1 A 112 112 ALA HA H 90 4.733 4.989 -0.256 1 1 986 . 20 1 1 A 112 112 ALA C C 90 177.040 176.597 0.443 1 1 987 . 20 1 1 A 112 112 ALA CA C 90 50.598 50.305 0.293 1 1 988 . 20 1 1 A 112 112 ALA CB C 90 21.517 20.092 1.425 1 1 989 . 20 1 1 A 112 112 ALA N N 90 131.215 128.420 2.795 1 1 990 . 20 1 1 A 113 113 TRP H H 91 9.084 8.697 0.387 1 1 991 . 20 1 1 A 113 113 TRP HA H 91 5.129 5.364 -0.235 1 1 996 . 20 1 1 A 113 113 TRP C C 91 176.725 176.239 0.486 1 1 997 . 20 1 1 A 113 113 TRP CA C 91 56.263 55.393 0.870 1 1 998 . 20 1 1 A 113 113 TRP CB C 91 31.282 31.209 0.073 1 1 999 . 20 1 1 A 113 113 TRP N N 91 125.391 124.545 0.846 1 1 1001 . 20 1 1 A 114 114 GLN H H 92 9.712 9.201 0.511 1 1 1002 . 20 1 1 A 114 114 GLN HA H 92 5.078 4.464 0.614 1 1 1007 . 20 1 1 A 114 114 GLN CA C 92 52.872 54.182 -1.310 1 1 1008 . 20 1 1 A 114 114 GLN CB C 92 30.288 28.262 2.026 1 1 1010 . 20 1 1 A 114 114 GLN N N 92 122.696 121.348 1.348 1 1 1011 . 20 1 1 A 115 115 PRO HA H 93 4.689 4.516 0.173 1 1 1018 . 20 1 1 A 115 115 PRO C C 93 176.690 177.161 -0.471 1 1 1019 . 20 1 1 A 115 115 PRO CA C 93 63.246 65.269 -2.023 1 1 1020 . 20 1 1 A 115 115 PRO CB C 93 32.152 31.825 0.327 1 1 1023 . 20 1 1 A 116 116 ALA H H 94 8.429 8.025 0.404 1 1 1024 . 20 1 1 A 116 116 ALA HA H 94 4.615 4.560 0.055 1 1 1028 . 20 1 1 A 116 116 ALA C C 94 177.230 175.942 1.288 1 1 1029 . 20 1 1 A 116 116 ALA CA C 94 51.966 53.642 -1.676 1 1 1030 . 20 1 1 A 116 116 ALA CB C 94 20.497 17.877 2.620 1 1 1031 . 20 1 1 A 116 116 ALA N N 94 125.566 119.381 6.185 1 1 1032 . 20 1 1 A 117 117 GLU H H 95 8.754 7.603 1.151 1 1 1033 . 20 1 1 A 117 117 GLU HA H 95 4.479 4.900 -0.421 1 1 1038 . 20 1 1 A 117 117 GLU CA C 95 56.146 54.796 1.350 1 1 1039 . 20 1 1 A 117 117 GLU CB C 95 30.856 33.471 -2.615 1 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Assigned_chem_shift_list_ID _SPARTA_output.Conformer_ID _SPARTA_output.Entity_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Entity_delta_chem_shifts_ID 1 1 1 1 "RMS(OBS, PRED)" C 84 0.879 1 2 1 1 1 "RMS(OBS, PRED)" CA 93 1.202 1 3 1 1 1 "RMS(OBS, PRED)" CB 90 1.661 1 4 1 1 1 "RMS(OBS, PRED)" H 85 0.609 1 5 1 1 1 "RMS(OBS, PRED)" HA 95 0.439 1 6 1 1 1 "RMS(OBS, PRED)" N 84 3.214 1 7 1 2 1 "RMS(OBS, PRED)" C 84 0.863 1 8 1 2 1 "RMS(OBS, PRED)" CA 93 1.256 1 9 1 2 1 "RMS(OBS, PRED)" CB 90 1.674 1 10 1 2 1 "RMS(OBS, PRED)" H 85 0.634 1 11 1 2 1 "RMS(OBS, PRED)" HA 95 0.437 1 12 1 2 1 "RMS(OBS, PRED)" N 84 3.264 1 13 1 3 1 "RMS(OBS, PRED)" C 84 0.894 1 14 1 3 1 "RMS(OBS, PRED)" CA 93 1.205 1 15 1 3 1 "RMS(OBS, PRED)" CB 90 1.704 1 16 1 3 1 "RMS(OBS, PRED)" H 85 0.612 1 17 1 3 1 "RMS(OBS, PRED)" HA 95 0.446 1 18 1 3 1 "RMS(OBS, PRED)" N 84 3.220 1 19 1 4 1 "RMS(OBS, PRED)" C 84 0.883 1 20 1 4 1 "RMS(OBS, PRED)" CA 93 1.295 1 21 1 4 1 "RMS(OBS, PRED)" CB 90 1.754 1 22 1 4 1 "RMS(OBS, PRED)" H 85 0.614 1 23 1 4 1 "RMS(OBS, PRED)" HA 95 0.437 1 24 1 4 1 "RMS(OBS, PRED)" N 84 3.386 1 25 1 5 1 "RMS(OBS, PRED)" C 84 0.884 1 26 1 5 1 "RMS(OBS, PRED)" CA 93 1.293 1 27 1 5 1 "RMS(OBS, PRED)" CB 90 1.728 1 28 1 5 1 "RMS(OBS, PRED)" H 85 0.641 1 29 1 5 1 "RMS(OBS, PRED)" HA 95 0.453 1 30 1 5 1 "RMS(OBS, PRED)" N 84 3.281 1 31 1 6 1 "RMS(OBS, PRED)" C 84 0.878 1 32 1 6 1 "RMS(OBS, PRED)" CA 93 1.235 1 33 1 6 1 "RMS(OBS, PRED)" CB 90 1.751 1 34 1 6 1 "RMS(OBS, PRED)" H 85 0.629 1 35 1 6 1 "RMS(OBS, PRED)" HA 95 0.448 1 36 1 6 1 "RMS(OBS, PRED)" N 84 3.305 1 37 1 7 1 "RMS(OBS, PRED)" C 84 0.876 1 38 1 7 1 "RMS(OBS, PRED)" CA 93 1.221 1 39 1 7 1 "RMS(OBS, PRED)" CB 90 1.692 1 40 1 7 1 "RMS(OBS, PRED)" H 85 0.601 1 41 1 7 1 "RMS(OBS, PRED)" HA 95 0.435 1 42 1 7 1 "RMS(OBS, PRED)" N 84 3.150 1 43 1 8 1 "RMS(OBS, PRED)" C 84 0.895 1 44 1 8 1 "RMS(OBS, PRED)" CA 93 1.242 1 45 1 8 1 "RMS(OBS, PRED)" CB 90 1.715 1 46 1 8 1 "RMS(OBS, PRED)" H 85 0.606 1 47 1 8 1 "RMS(OBS, PRED)" HA 95 0.451 1 48 1 8 1 "RMS(OBS, PRED)" N 84 3.072 1 49 1 9 1 "RMS(OBS, PRED)" C 84 0.860 1 50 1 9 1 "RMS(OBS, PRED)" CA 93 1.224 1 51 1 9 1 "RMS(OBS, PRED)" CB 90 1.695 1 52 1 9 1 "RMS(OBS, PRED)" H 85 0.621 1 53 1 9 1 "RMS(OBS, PRED)" HA 95 0.441 1 54 1 9 1 "RMS(OBS, PRED)" N 84 3.079 1 55 1 10 1 "RMS(OBS, PRED)" C 84 0.915 1 56 1 10 1 "RMS(OBS, PRED)" CA 93 1.252 1 57 1 10 1 "RMS(OBS, PRED)" CB 90 1.748 1 58 1 10 1 "RMS(OBS, PRED)" H 85 0.611 1 59 1 10 1 "RMS(OBS, PRED)" HA 95 0.453 1 60 1 10 1 "RMS(OBS, PRED)" N 84 3.022 1 61 1 11 1 "RMS(OBS, PRED)" C 84 0.877 1 62 1 11 1 "RMS(OBS, PRED)" CA 93 1.262 1 63 1 11 1 "RMS(OBS, PRED)" CB 90 1.753 1 64 1 11 1 "RMS(OBS, PRED)" H 85 0.634 1 65 1 11 1 "RMS(OBS, PRED)" HA 95 0.445 1 66 1 11 1 "RMS(OBS, PRED)" N 84 3.068 1 67 1 12 1 "RMS(OBS, PRED)" C 84 0.887 1 68 1 12 1 "RMS(OBS, PRED)" CA 93 1.206 1 69 1 12 1 "RMS(OBS, PRED)" CB 90 1.702 1 70 1 12 1 "RMS(OBS, PRED)" H 85 0.625 1 71 1 12 1 "RMS(OBS, PRED)" HA 95 0.454 1 72 1 12 1 "RMS(OBS, PRED)" N 84 3.056 1 73 1 13 1 "RMS(OBS, PRED)" C 84 0.890 1 74 1 13 1 "RMS(OBS, PRED)" CA 93 1.246 1 75 1 13 1 "RMS(OBS, PRED)" CB 90 1.702 1 76 1 13 1 "RMS(OBS, PRED)" H 85 0.649 1 77 1 13 1 "RMS(OBS, PRED)" HA 95 0.456 1 78 1 13 1 "RMS(OBS, PRED)" N 84 3.131 1 79 1 14 1 "RMS(OBS, PRED)" C 84 0.880 1 80 1 14 1 "RMS(OBS, PRED)" CA 93 1.258 1 81 1 14 1 "RMS(OBS, PRED)" CB 90 1.729 1 82 1 14 1 "RMS(OBS, PRED)" H 85 0.600 1 83 1 14 1 "RMS(OBS, PRED)" HA 95 0.437 1 84 1 14 1 "RMS(OBS, PRED)" N 84 3.126 1 85 1 15 1 "RMS(OBS, PRED)" C 84 0.909 1 86 1 15 1 "RMS(OBS, PRED)" CA 93 1.209 1 87 1 15 1 "RMS(OBS, PRED)" CB 90 1.756 1 88 1 15 1 "RMS(OBS, PRED)" H 85 0.620 1 89 1 15 1 "RMS(OBS, PRED)" HA 95 0.453 1 90 1 15 1 "RMS(OBS, PRED)" N 84 3.077 1 91 1 16 1 "RMS(OBS, PRED)" C 84 0.876 1 92 1 16 1 "RMS(OBS, PRED)" CA 93 1.228 1 93 1 16 1 "RMS(OBS, PRED)" CB 90 1.721 1 94 1 16 1 "RMS(OBS, PRED)" H 85 0.627 1 95 1 16 1 "RMS(OBS, PRED)" HA 95 0.450 1 96 1 16 1 "RMS(OBS, PRED)" N 84 3.247 1 97 1 17 1 "RMS(OBS, PRED)" C 84 0.860 1 98 1 17 1 "RMS(OBS, PRED)" CA 93 1.269 1 99 1 17 1 "RMS(OBS, PRED)" CB 90 1.716 1 100 1 17 1 "RMS(OBS, PRED)" H 85 0.618 1 101 1 17 1 "RMS(OBS, PRED)" HA 95 0.438 1 102 1 17 1 "RMS(OBS, PRED)" N 84 3.107 1 103 1 18 1 "RMS(OBS, PRED)" C 84 0.851 1 104 1 18 1 "RMS(OBS, PRED)" CA 93 1.236 1 105 1 18 1 "RMS(OBS, PRED)" CB 90 1.697 1 106 1 18 1 "RMS(OBS, PRED)" H 85 0.616 1 107 1 18 1 "RMS(OBS, PRED)" HA 95 0.441 1 108 1 18 1 "RMS(OBS, PRED)" N 84 3.143 1 109 1 19 1 "RMS(OBS, PRED)" C 84 0.914 1 110 1 19 1 "RMS(OBS, PRED)" CA 93 1.254 1 111 1 19 1 "RMS(OBS, PRED)" CB 90 1.722 1 112 1 19 1 "RMS(OBS, PRED)" H 85 0.590 1 113 1 19 1 "RMS(OBS, PRED)" HA 95 0.437 1 114 1 19 1 "RMS(OBS, PRED)" N 84 2.967 1 115 1 20 1 "RMS(OBS, PRED)" C 84 0.924 1 116 1 20 1 "RMS(OBS, PRED)" CA 93 1.212 1 117 1 20 1 "RMS(OBS, PRED)" CB 90 1.707 1 118 1 20 1 "RMS(OBS, PRED)" H 85 0.607 1 119 1 20 1 "RMS(OBS, PRED)" HA 95 0.448 1 120 1 20 1 "RMS(OBS, PRED)" N 84 3.149 1 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Conformer_type "average" _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 11 . 1 1 A 24 24 PHE H H 2 8.940 8.274 0.666 2 1 12 . 1 1 A 24 24 PHE HA H 2 4.540 4.988 -0.448 2 1 17 . 1 1 A 24 24 PHE C C 2 173.640 175.417 -1.777 2 1 18 . 1 1 A 24 24 PHE CA C 2 58.262 57.596 0.666 2 1 19 . 1 1 A 24 24 PHE CB C 2 40.639 41.075 -0.436 2 1 20 . 1 1 A 24 24 PHE N N 2 121.410 124.063 -2.653 2 1 21 . 1 1 A 25 25 ARG H H 3 8.559 8.893 -0.334 2 1 22 . 1 1 A 25 25 ARG HA H 3 5.932 5.103 0.829 2 1 29 . 1 1 A 25 25 ARG C C 3 175.870 174.252 1.618 2 1 30 . 1 1 A 25 25 ARG CA C 3 53.965 55.140 -1.175 2 1 31 . 1 1 A 25 25 ARG CB C 3 34.959 33.612 1.347 2 1 34 . 1 1 A 25 25 ARG N N 3 123.288 121.100 2.188 2 1 35 . 1 1 A 26 26 SER H H 4 9.096 8.945 0.151 2 1 36 . 1 1 A 26 26 SER HA H 4 5.306 5.539 -0.233 2 1 39 . 1 1 A 26 26 SER C C 4 173.230 172.809 0.421 2 1 40 . 1 1 A 26 26 SER CA C 4 56.908 56.395 0.513 2 1 41 . 1 1 A 26 26 SER CB C 4 66.846 66.656 0.190 2 1 42 . 1 1 A 26 26 SER N N 4 120.152 119.718 0.434 2 1 43 . 1 1 A 27 27 THR H H 5 8.889 8.907 -0.018 2 1 44 . 1 1 A 27 27 THR HA H 5 6.172 5.580 0.592 2 1 49 . 1 1 A 27 27 THR C C 5 173.740 172.292 1.448 2 1 50 . 1 1 A 27 27 THR CA C 5 59.621 60.774 -1.153 2 1 51 . 1 1 A 27 27 THR CB C 5 75.444 71.512 3.932 2 1 53 . 1 1 A 27 27 THR N N 5 112.196 114.733 -2.537 2 1 54 . 1 1 A 28 28 SER H H 6 8.945 9.093 -0.148 2 1 55 . 1 1 A 28 28 SER HA H 6 4.643 5.460 -0.817 2 1 58 . 1 1 A 28 28 SER C C 6 173.400 172.781 0.619 2 1 59 . 1 1 A 28 28 SER CA C 6 57.727 56.979 0.748 2 1 60 . 1 1 A 28 28 SER CB C 6 65.115 64.651 0.464 2 1 61 . 1 1 A 28 28 SER N N 6 115.468 121.718 -6.250 2 1 62 . 1 1 A 29 29 HIS H H 7 8.713 8.992 -0.279 2 1 63 . 1 1 A 29 29 HIS HA H 7 5.046 5.523 -0.477 2 1 67 . 1 1 A 29 29 HIS C C 7 175.330 173.745 1.585 2 1 68 . 1 1 A 29 29 HIS CA C 7 55.507 53.895 1.612 2 1 69 . 1 1 A 29 29 HIS CB C 7 31.214 32.680 -1.466 2 1 70 . 1 1 A 29 29 HIS N N 7 130.131 127.103 3.028 2 1 71 . 1 1 A 30 30 VAL H H 8 9.318 8.818 0.500 2 1 72 . 1 1 A 30 30 VAL HA H 8 4.431 4.764 -0.333 2 1 80 . 1 1 A 30 30 VAL C C 8 175.620 174.776 0.844 2 1 81 . 1 1 A 30 30 VAL CA C 8 61.142 60.276 0.866 2 1 82 . 1 1 A 30 30 VAL CB C 8 33.063 35.740 -2.677 2 1 85 . 1 1 A 30 30 VAL N N 8 128.679 125.835 2.844 2 1 86 . 1 1 A 31 31 ARG H H 9 9.212 8.634 0.578 2 1 87 . 1 1 A 31 31 ARG HA H 9 4.517 5.027 -0.510 2 1 94 . 1 1 A 31 31 ARG C C 9 176.520 175.897 0.623 2 1 95 . 1 1 A 31 31 ARG CA C 9 57.458 55.313 2.145 2 1 96 . 1 1 A 31 31 ARG CB C 9 29.842 30.863 -1.021 2 1 99 . 1 1 A 31 31 ARG N N 9 128.640 125.758 2.882 2 1 100 . 1 1 A 32 32 THR H H 10 7.941 8.963 -1.022 2 1 101 . 1 1 A 32 32 THR HA H 10 4.627 5.060 -0.433 2 1 105 . 1 1 A 32 32 THR C C 10 172.560 172.855 -0.295 2 1 106 . 1 1 A 32 32 THR CA C 10 61.473 60.173 1.300 2 1 107 . 1 1 A 32 32 THR CB C 10 66.191 73.129 -6.938 2 1 109 . 1 1 A 32 32 THR N N 10 120.036 118.676 1.360 2 1 110 . 1 1 A 33 33 GLU H H 11 9.022 8.955 0.067 2 1 111 . 1 1 A 33 33 GLU HA H 11 4.731 4.817 -0.086 2 1 116 . 1 1 A 33 33 GLU C C 11 177.810 176.780 1.030 2 1 117 . 1 1 A 33 33 GLU CA C 11 57.466 55.361 2.105 2 1 118 . 1 1 A 33 33 GLU CB C 11 30.044 31.815 -1.771 2 1 120 . 1 1 A 33 33 GLU N N 11 126.859 123.851 3.008 2 1 121 . 1 1 A 34 34 SER H H 12 8.930 9.306 -0.376 2 1 122 . 1 1 A 34 34 SER HA H 12 4.795 4.105 0.690 2 1 125 . 1 1 A 34 34 SER C C 12 173.360 174.488 -1.128 2 1 126 . 1 1 A 34 34 SER CA C 12 56.842 59.000 -2.158 2 1 127 . 1 1 A 34 34 SER CB C 12 63.756 62.592 1.164 2 1 128 . 1 1 A 34 34 SER N N 12 119.717 118.707 1.010 2 1 129 . 1 1 A 35 35 ALA H H 13 8.756 7.759 0.997 2 1 130 . 1 1 A 35 35 ALA HA H 13 3.542 3.833 -0.291 2 1 134 . 1 1 A 35 35 ALA C C 13 178.560 179.146 -0.586 2 1 135 . 1 1 A 35 35 ALA CA C 13 56.288 55.087 1.201 2 1 136 . 1 1 A 35 35 ALA CB C 13 21.558 18.672 2.886 2 1 137 . 1 1 A 35 35 ALA N N 13 121.856 122.624 -0.768 2 1 138 . 1 1 A 36 36 ALA H H 14 8.442 8.110 0.332 2 1 139 . 1 1 A 36 36 ALA HA H 14 3.691 4.218 -0.527 2 1 143 . 1 1 A 36 36 ALA C C 14 179.900 179.605 0.295 2 1 144 . 1 1 A 36 36 ALA CA C 14 55.754 54.769 0.985 2 1 145 . 1 1 A 36 36 ALA CB C 14 17.368 18.314 -0.946 2 1 146 . 1 1 A 36 36 ALA N N 14 117.191 119.367 -2.175 2 1 147 . 1 1 A 37 37 ARG H H 15 7.513 7.300 0.213 2 1 148 . 1 1 A 37 37 ARG HA H 15 4.097 4.071 0.026 2 1 155 . 1 1 A 37 37 ARG C C 15 178.720 178.610 0.110 2 1 156 . 1 1 A 37 37 ARG CA C 15 58.699 58.657 0.042 2 1 157 . 1 1 A 37 37 ARG CB C 15 30.024 29.850 0.174 2 1 160 . 1 1 A 37 37 ARG N N 15 118.952 118.835 0.117 2 1 161 . 1 1 A 38 38 TYR H H 16 7.632 7.896 -0.264 2 1 162 . 1 1 A 38 38 TYR HA H 16 4.433 4.340 0.093 2 1 166 . 1 1 A 38 38 TYR C C 16 178.110 178.371 -0.261 2 1 167 . 1 1 A 38 38 TYR CA C 16 58.473 60.945 -2.472 2 1 168 . 1 1 A 38 38 TYR CB C 16 36.286 37.733 -1.447 2 1 169 . 1 1 A 38 38 TYR N N 16 118.516 119.366 -0.850 2 1 170 . 1 1 A 39 39 VAL H H 17 8.680 7.687 0.993 2 1 171 . 1 1 A 39 39 VAL HA H 17 3.491 3.753 -0.262 2 1 179 . 1 1 A 39 39 VAL C C 17 177.450 178.171 -0.721 2 1 180 . 1 1 A 39 39 VAL CA C 17 68.093 66.333 1.760 2 1 181 . 1 1 A 39 39 VAL CB C 17 31.943 31.730 0.213 2 1 184 . 1 1 A 39 39 VAL N N 17 119.126 120.492 -1.366 2 1 185 . 1 1 A 40 40 ASN H H 18 7.813 7.936 -0.123 2 1 186 . 1 1 A 40 40 ASN HA H 18 4.280 4.507 -0.227 2 1 189 . 1 1 A 40 40 ASN C C 18 177.190 178.043 -0.853 2 1 190 . 1 1 A 40 40 ASN CA C 18 57.525 56.463 1.062 2 1 191 . 1 1 A 40 40 ASN CB C 18 39.474 37.866 1.608 2 1 192 . 1 1 A 40 40 ASN N N 18 118.013 117.595 0.418 2 1 193 . 1 1 A 41 41 ARG H H 19 8.425 8.214 0.211 2 1 194 . 1 1 A 41 41 ARG HA H 19 4.010 4.152 -0.142 2 1 201 . 1 1 A 41 41 ARG C C 19 180.050 179.082 0.968 2 1 202 . 1 1 A 41 41 ARG CA C 19 59.734 58.712 1.022 2 1 203 . 1 1 A 41 41 ARG CB C 19 30.877 29.837 1.040 2 1 206 . 1 1 A 41 41 ARG N N 19 116.687 120.617 -3.930 2 1 207 . 1 1 A 42 42 LEU H H 20 8.731 8.079 0.652 2 1 208 . 1 1 A 42 42 LEU HA H 20 3.904 4.074 -0.170 2 1 218 . 1 1 A 42 42 LEU C C 20 178.690 178.766 -0.076 2 1 219 . 1 1 A 42 42 LEU CA C 20 58.238 57.846 0.392 2 1 220 . 1 1 A 42 42 LEU CB C 20 41.659 41.763 -0.104 2 1 224 . 1 1 A 42 42 LEU N N 20 120.849 119.899 0.950 2 1 225 . 1 1 A 43 43 CYS H H 21 8.241 8.464 -0.223 2 1 226 . 1 1 A 43 43 CYS HA H 21 4.268 4.133 0.135 2 1 229 . 1 1 A 43 43 CYS C C 21 177.530 176.783 0.747 2 1 230 . 1 1 A 43 43 CYS CA C 21 65.374 62.815 2.559 2 1 231 . 1 1 A 43 43 CYS CB C 21 27.962 27.299 0.663 2 1 232 . 1 1 A 43 43 CYS N N 21 115.952 117.364 -1.412 2 1 233 . 1 1 A 44 44 LYS H H 22 8.364 7.866 0.498 2 1 234 . 1 1 A 44 44 LYS HA H 22 4.091 4.262 -0.171 2 1 243 . 1 1 A 44 44 LYS C C 22 179.020 178.712 0.308 2 1 244 . 1 1 A 44 44 LYS CA C 22 59.004 57.789 1.215 2 1 245 . 1 1 A 44 44 LYS CB C 22 31.921 32.606 -0.685 2 1 249 . 1 1 A 44 44 LYS N N 22 119.823 119.923 -0.100 2 1 250 . 1 1 A 45 45 HIS H H 23 8.036 8.142 -0.106 2 1 251 . 1 1 A 45 45 HIS HA H 23 4.408 4.133 0.275 2 1 255 . 1 1 A 45 45 HIS C C 23 177.870 176.986 0.884 2 1 256 . 1 1 A 45 45 HIS CA C 23 60.404 59.257 1.147 2 1 257 . 1 1 A 45 45 HIS CB C 23 30.954 30.501 0.453 2 1 258 . 1 1 A 45 45 HIS N N 23 118.729 120.551 -1.822 2 1 259 . 1 1 A 46 46 TRP H H 24 8.426 8.608 -0.182 2 1 260 . 1 1 A 46 46 TRP HA H 24 4.903 4.614 0.289 2 1 265 . 1 1 A 46 46 TRP C C 24 177.900 177.661 0.239 2 1 266 . 1 1 A 46 46 TRP CA C 24 58.973 59.256 -0.283 2 1 267 . 1 1 A 46 46 TRP CB C 24 29.328 29.411 -0.083 2 1 268 . 1 1 A 46 46 TRP N N 24 117.297 117.049 0.248 2 1 270 . 1 1 A 47 47 GLY H H 25 8.254 8.281 -0.027 2 1 271 . 1 1 A 47 47 GLY HA2 H 25 4.362 4.022 0.340 2 1 272 . 1 1 A 47 47 GLY HA3 H 25 3.936 4.085 -0.149 2 1 273 . 1 1 A 47 47 GLY CA C 25 46.812 47.399 -0.587 2 1 274 . 1 1 A 47 47 GLY N N 25 108.683 108.267 0.415 2 1 275 . 1 1 A 48 48 HIS C C 26 176.030 175.222 0.808 2 1 276 . 1 1 A 48 48 HIS CA C 26 58.358 57.212 1.146 2 1 277 . 1 1 A 48 48 HIS CB C 26 30.438 31.749 -1.311 2 1 278 . 1 1 A 49 49 LYS H H 27 7.544 7.898 -0.354 2 1 279 . 1 1 A 49 49 LYS HA H 27 4.236 4.340 -0.104 2 1 288 . 1 1 A 49 49 LYS C C 27 174.880 174.391 0.489 2 1 289 . 1 1 A 49 49 LYS CA C 27 56.572 55.258 1.314 2 1 290 . 1 1 A 49 49 LYS CB C 27 35.793 33.833 1.960 2 1 294 . 1 1 A 49 49 LYS N N 27 117.278 119.778 -2.500 2 1 295 . 1 1 A 50 50 PHE H H 28 8.178 7.660 0.518 2 1 296 . 1 1 A 50 50 PHE HA H 28 5.016 5.070 -0.054 2 1 301 . 1 1 A 50 50 PHE C C 28 174.190 174.785 -0.595 2 1 302 . 1 1 A 50 50 PHE CA C 28 55.756 56.282 -0.526 2 1 303 . 1 1 A 50 50 PHE CB C 28 41.140 43.180 -2.040 2 1 304 . 1 1 A 50 50 PHE N N 28 118.846 119.113 -0.267 2 1 305 . 1 1 A 51 51 GLU H H 29 7.812 8.498 -0.686 2 1 306 . 1 1 A 51 51 GLU HA H 29 4.449 4.580 -0.131 2 1 311 . 1 1 A 51 51 GLU C C 29 175.570 175.971 -0.401 2 1 312 . 1 1 A 51 51 GLU CA C 29 56.852 56.175 0.677 2 1 313 . 1 1 A 51 51 GLU CB C 29 30.207 29.672 0.535 2 1 315 . 1 1 A 51 51 GLU N N 29 120.355 121.267 -0.912 2 1 316 . 1 1 A 52 52 VAL H H 30 8.395 8.870 -0.475 2 1 317 . 1 1 A 52 52 VAL HA H 30 5.383 5.530 -0.147 2 1 325 . 1 1 A 52 52 VAL C C 30 175.850 174.517 1.333 2 1 326 . 1 1 A 52 52 VAL CA C 30 59.969 60.508 -0.539 2 1 327 . 1 1 A 52 52 VAL CB C 30 36.173 34.095 2.078 2 1 330 . 1 1 A 52 52 VAL N N 30 124.120 121.068 3.052 2 1 331 . 1 1 A 53 53 GLU H H 31 9.289 9.294 -0.005 2 1 332 . 1 1 A 53 53 GLU HA H 31 4.717 4.994 -0.277 2 1 337 . 1 1 A 53 53 GLU C C 31 174.370 175.212 -0.842 2 1 338 . 1 1 A 53 53 GLU CA C 31 55.415 55.899 -0.484 2 1 339 . 1 1 A 53 53 GLU CB C 31 33.211 31.886 1.325 2 1 341 . 1 1 A 53 53 GLU N N 31 126.346 127.092 -0.746 2 1 342 . 1 1 A 54 54 LEU H H 32 8.763 8.783 -0.020 2 1 343 . 1 1 A 54 54 LEU HA H 32 5.375 5.061 0.314 2 1 353 . 1 1 A 54 54 LEU C C 32 175.100 175.350 -0.250 2 1 354 . 1 1 A 54 54 LEU CA C 32 55.010 54.118 0.892 2 1 355 . 1 1 A 54 54 LEU CB C 32 45.485 45.092 0.394 2 1 359 . 1 1 A 54 54 LEU N N 32 126.898 124.991 1.907 2 1 360 . 1 1 A 55 55 THR H H 33 9.159 8.288 0.871 2 1 361 . 1 1 A 55 55 THR HA H 33 4.886 5.054 -0.169 2 1 366 . 1 1 A 55 55 THR CA C 33 59.489 58.600 0.889 2 1 367 . 1 1 A 55 55 THR CB C 33 69.241 70.108 -0.867 2 1 369 . 1 1 A 55 55 THR N N 33 121.246 117.021 4.225 2 1 370 . 1 1 A 56 56 PRO HA H 34 4.269 4.597 -0.328 2 1 377 . 1 1 A 56 56 PRO C C 34 177.750 175.621 2.129 2 1 378 . 1 1 A 56 56 PRO CA C 34 65.968 62.840 3.128 2 1 379 . 1 1 A 56 56 PRO CB C 34 31.786 29.696 2.090 2 1 382 . 1 1 A 57 57 GLU H H 35 8.148 8.525 -0.377 2 1 383 . 1 1 A 57 57 GLU HA H 35 4.351 4.525 -0.174 2 1 388 . 1 1 A 57 57 GLU C C 35 175.720 175.857 -0.137 2 1 389 . 1 1 A 57 57 GLU CA C 35 57.085 56.828 0.257 2 1 390 . 1 1 A 57 57 GLU CB C 35 30.299 32.371 -2.072 2 1 392 . 1 1 A 57 57 GLU N N 35 112.303 120.437 -8.134 2 1 393 . 1 1 A 58 58 ARG H H 36 7.777 7.720 0.057 2 1 394 . 1 1 A 58 58 ARG HA H 36 5.418 5.159 0.259 2 1 401 . 1 1 A 58 58 ARG C C 36 173.610 173.915 -0.305 2 1 402 . 1 1 A 58 58 ARG CA C 36 55.576 55.005 0.571 2 1 403 . 1 1 A 58 58 ARG CB C 36 33.324 32.608 0.716 2 1 406 . 1 1 A 58 58 ARG N N 36 122.018 115.133 6.885 2 1 407 . 1 1 A 59 59 GLY H H 37 9.650 8.680 0.970 2 1 408 . 1 1 A 59 59 GLY HA2 H 37 5.484 4.290 1.194 2 1 409 . 1 1 A 59 59 GLY HA3 H 37 3.554 4.302 -0.748 2 1 410 . 1 1 A 59 59 GLY C C 37 171.630 171.984 -0.355 2 1 411 . 1 1 A 59 59 GLY CA C 37 44.563 44.356 0.207 2 1 412 . 1 1 A 59 59 GLY N N 37 113.745 106.878 6.867 2 1 413 . 1 1 A 60 60 PHE H H 38 9.138 8.753 0.385 2 1 414 . 1 1 A 60 60 PHE HA H 38 5.472 5.156 0.316 2 1 419 . 1 1 A 60 60 PHE C C 38 173.180 174.039 -0.859 2 1 420 . 1 1 A 60 60 PHE CA C 38 57.234 56.237 0.997 2 1 421 . 1 1 A 60 60 PHE CB C 38 43.107 41.673 1.434 2 1 422 . 1 1 A 60 60 PHE N N 38 124.144 124.456 -0.312 2 1 423 . 1 1 A 61 61 ILE H H 39 8.618 8.562 0.056 2 1 424 . 1 1 A 61 61 ILE HA H 39 4.226 4.834 -0.608 2 1 434 . 1 1 A 61 61 ILE C C 39 172.950 173.853 -0.903 2 1 435 . 1 1 A 61 61 ILE CA C 39 60.357 60.460 -0.103 2 1 436 . 1 1 A 61 61 ILE CB C 39 41.488 39.844 1.644 2 1 440 . 1 1 A 61 61 ILE N N 39 126.753 127.454 -0.701 2 1 441 . 1 1 A 62 62 ASP H H 40 8.192 8.114 0.078 2 1 442 . 1 1 A 62 62 ASP HA H 40 4.464 5.144 -0.679 2 1 445 . 1 1 A 62 62 ASP C C 40 176.240 176.246 -0.006 2 1 446 . 1 1 A 62 62 ASP CA C 40 52.208 52.333 -0.125 2 1 447 . 1 1 A 62 62 ASP CB C 40 41.489 42.781 -1.292 2 1 448 . 1 1 A 62 62 ASP N N 40 124.314 128.272 -3.958 2 1 449 . 1 1 A 63 63 PHE H H 41 8.165 8.862 -0.697 2 1 450 . 1 1 A 63 63 PHE HA H 41 4.007 4.625 -0.618 2 1 454 . 1 1 A 63 63 PHE C C 41 175.640 175.795 -0.155 2 1 455 . 1 1 A 63 63 PHE CA C 41 58.407 58.548 -0.141 2 1 456 . 1 1 A 63 63 PHE CB C 41 38.486 39.459 -0.973 2 1 457 . 1 1 A 63 63 PHE N N 41 123.395 122.896 0.499 2 1 458 . 1 1 A 64 64 GLY H H 42 9.003 7.802 1.201 2 1 459 . 1 1 A 64 64 GLY HA2 H 42 4.675 4.064 0.611 2 1 460 . 1 1 A 64 64 GLY HA3 H 42 3.484 4.086 -0.602 2 1 461 . 1 1 A 64 64 GLY CA C 42 45.938 46.042 -0.104 2 1 462 . 1 1 A 64 64 GLY N N 42 112.196 107.381 4.815 2 1 463 . 1 1 A 65 65 ASP HA H 43 4.675 4.715 -0.040 2 1 466 . 1 1 A 65 65 ASP C C 43 176.170 174.815 1.355 2 1 467 . 1 1 A 65 65 ASP CA C 43 55.415 53.662 1.753 2 1 468 . 1 1 A 65 65 ASP CB C 43 41.379 39.456 1.923 2 1 469 . 1 1 A 66 66 SER H H 44 7.743 7.702 0.041 2 1 470 . 1 1 A 66 66 SER HA H 44 5.292 5.043 0.249 2 1 473 . 1 1 A 66 66 SER C C 44 172.190 172.346 -0.156 2 1 474 . 1 1 A 66 66 SER CA C 44 57.890 57.329 0.561 2 1 475 . 1 1 A 66 66 SER CB C 44 66.054 65.603 0.451 2 1 476 . 1 1 A 66 66 SER N N 44 112.796 112.914 -0.118 2 1 477 . 1 1 A 67 67 ASN H H 45 9.075 8.919 0.156 2 1 478 . 1 1 A 67 67 ASN HA H 45 5.126 5.213 -0.087 2 1 481 . 1 1 A 67 67 ASN C C 45 172.300 173.470 -1.170 2 1 482 . 1 1 A 67 67 ASN CA C 45 52.997 52.029 0.969 2 1 483 . 1 1 A 67 67 ASN CB C 45 42.047 43.261 -1.214 2 1 484 . 1 1 A 67 67 ASN N N 45 114.955 117.634 -2.679 2 1 485 . 1 1 A 68 68 CYS H H 46 8.757 8.320 0.437 2 1 486 . 1 1 A 68 68 CYS HA H 46 5.652 4.999 0.653 2 1 489 . 1 1 A 68 68 CYS C C 46 170.650 172.797 -2.147 2 1 490 . 1 1 A 68 68 CYS CA C 46 56.668 58.334 -1.666 2 1 491 . 1 1 A 68 68 CYS CB C 46 31.195 29.472 1.723 2 1 492 . 1 1 A 68 68 CYS N N 46 119.184 118.518 0.666 2 1 493 . 1 1 A 69 69 GLU H H 47 9.587 9.360 0.227 2 1 494 . 1 1 A 69 69 GLU HA H 47 5.283 5.530 -0.247 2 1 499 . 1 1 A 69 69 GLU C C 47 174.190 175.024 -0.834 2 1 500 . 1 1 A 69 69 GLU CA C 47 54.401 55.493 -1.092 2 1 501 . 1 1 A 69 69 GLU CB C 47 33.607 32.291 1.316 2 1 503 . 1 1 A 69 69 GLU N N 47 131.612 128.220 3.392 2 1 504 . 1 1 A 70 70 LEU H H 48 9.523 8.550 0.973 2 1 505 . 1 1 A 70 70 LEU HA H 48 5.314 5.062 0.252 2 1 515 . 1 1 A 70 70 LEU C C 48 174.730 174.300 0.430 2 1 516 . 1 1 A 70 70 LEU CA C 48 53.570 53.988 -0.418 2 1 517 . 1 1 A 70 70 LEU CB C 48 46.109 45.435 0.674 2 1 521 . 1 1 A 70 70 LEU N N 48 125.069 124.095 0.974 2 1 522 . 1 1 A 71 71 LEU H H 49 9.493 9.448 0.045 2 1 523 . 1 1 A 71 71 LEU HA H 49 5.001 5.194 -0.193 2 1 533 . 1 1 A 71 71 LEU C C 49 175.310 175.140 0.170 2 1 534 . 1 1 A 71 71 LEU CA C 49 53.809 54.005 -0.196 2 1 535 . 1 1 A 71 71 LEU CB C 49 42.880 44.139 -1.259 2 1 539 . 1 1 A 71 71 LEU N N 49 123.714 127.895 -4.181 2 1 540 . 1 1 A 72 72 ALA H H 50 8.255 8.479 -0.224 2 1 541 . 1 1 A 72 72 ALA HA H 50 4.307 5.121 -0.814 2 1 545 . 1 1 A 72 72 ALA C C 50 174.800 175.321 -0.521 2 1 546 . 1 1 A 72 72 ALA CA C 50 51.618 51.324 0.294 2 1 547 . 1 1 A 72 72 ALA CB C 50 18.634 21.419 -2.785 2 1 548 . 1 1 A 72 72 ALA N N 50 125.398 128.374 -2.976 2 1 549 . 1 1 A 73 73 HIS H H 51 8.053 9.446 -1.393 2 1 550 . 1 1 A 73 73 HIS HA H 51 4.953 4.931 0.022 2 1 554 . 1 1 A 73 73 HIS CA C 51 54.682 53.887 0.795 2 1 555 . 1 1 A 73 73 HIS CB C 51 31.150 32.244 -1.094 2 1 556 . 1 1 A 73 73 HIS N N 51 123.172 123.971 -0.799 2 1 557 . 1 1 A 74 74 PRO HA H 52 4.385 4.117 0.268 2 1 564 . 1 1 A 74 74 PRO C C 52 176.370 176.833 -0.463 2 1 565 . 1 1 A 74 74 PRO CA C 52 65.625 64.998 0.627 2 1 566 . 1 1 A 74 74 PRO CB C 52 32.014 31.892 0.122 2 1 569 . 1 1 A 75 75 ASP H H 53 8.303 8.238 0.065 2 1 570 . 1 1 A 75 75 ASP HA H 53 4.955 5.326 -0.371 2 1 573 . 1 1 A 75 75 ASP C C 53 177.380 175.250 2.130 2 1 574 . 1 1 A 75 75 ASP CA C 53 52.034 53.657 -1.623 2 1 575 . 1 1 A 75 75 ASP CB C 53 41.826 42.818 -0.992 2 1 576 . 1 1 A 75 75 ASP N N 53 109.961 116.302 -6.341 2 1 577 . 1 1 A 76 76 HIS H H 54 7.379 7.497 -0.118 2 1 578 . 1 1 A 76 76 HIS HA H 54 5.421 5.445 -0.024 2 1 582 . 1 1 A 76 76 HIS C C 54 172.470 172.825 -0.355 2 1 583 . 1 1 A 76 76 HIS CA C 54 56.943 54.271 2.672 2 1 584 . 1 1 A 76 76 HIS CB C 54 29.909 33.792 -3.883 2 1 585 . 1 1 A 76 76 HIS N N 54 114.752 116.212 -1.460 2 1 586 . 1 1 A 77 77 VAL H H 55 8.933 8.549 0.384 2 1 587 . 1 1 A 77 77 VAL HA H 55 4.837 5.109 -0.272 2 1 595 . 1 1 A 77 77 VAL C C 55 173.420 173.919 -0.499 2 1 596 . 1 1 A 77 77 VAL CA C 55 59.429 59.880 -0.451 2 1 597 . 1 1 A 77 77 VAL CB C 55 35.121 35.599 -0.478 2 1 600 . 1 1 A 77 77 VAL N N 55 117.287 119.692 -2.405 2 1 601 . 1 1 A 78 78 LEU H H 56 9.004 9.605 -0.601 2 1 602 . 1 1 A 78 78 LEU HA H 56 5.466 5.319 0.147 2 1 612 . 1 1 A 78 78 LEU C C 56 175.140 175.736 -0.596 2 1 613 . 1 1 A 78 78 LEU CA C 56 53.084 53.821 -0.737 2 1 614 . 1 1 A 78 78 LEU CB C 56 44.499 45.514 -1.015 2 1 618 . 1 1 A 78 78 LEU N N 56 130.334 128.098 2.236 2 1 619 . 1 1 A 79 79 MET H H 57 9.381 8.822 0.559 2 1 620 . 1 1 A 79 79 MET HA H 57 5.678 5.263 0.415 2 1 625 . 1 1 A 79 79 MET C C 57 175.160 174.665 0.495 2 1 626 . 1 1 A 79 79 MET CA C 57 54.216 54.375 -0.159 2 1 627 . 1 1 A 79 79 MET CB C 57 37.309 35.144 2.165 2 1 629 . 1 1 A 79 79 MET N N 57 124.304 122.275 2.029 2 1 630 . 1 1 A 80 80 ILE H H 58 9.552 8.779 0.773 2 1 631 . 1 1 A 80 80 ILE HA H 58 4.957 5.129 -0.172 2 1 641 . 1 1 A 80 80 ILE C C 58 175.160 175.484 -0.324 2 1 642 . 1 1 A 80 80 ILE CA C 58 61.338 60.030 1.308 2 1 643 . 1 1 A 80 80 ILE CB C 58 41.092 41.412 -0.320 2 1 647 . 1 1 A 80 80 ILE N N 58 122.359 124.633 -2.274 2 1 648 . 1 1 A 81 81 LEU H H 59 9.549 8.951 0.598 2 1 649 . 1 1 A 81 81 LEU HA H 59 5.274 5.222 0.052 2 1 659 . 1 1 A 81 81 LEU C C 59 174.280 175.284 -1.004 2 1 660 . 1 1 A 81 81 LEU CA C 59 53.621 52.630 0.991 2 1 661 . 1 1 A 81 81 LEU CB C 59 46.837 45.409 1.428 2 1 665 . 1 1 A 81 81 LEU N N 59 131.901 124.742 7.159 2 1 666 . 1 1 A 82 82 ASN H H 60 8.516 8.476 0.040 2 1 667 . 1 1 A 82 82 ASN HA H 60 5.851 5.457 0.394 2 1 670 . 1 1 A 82 82 ASN C C 60 174.840 174.024 0.816 2 1 671 . 1 1 A 82 82 ASN CA C 60 52.549 52.047 0.503 2 1 672 . 1 1 A 82 82 ASN CB C 60 43.188 39.811 3.377 2 1 673 . 1 1 A 82 82 ASN N N 60 120.142 119.390 0.752 2 1 674 . 1 1 A 83 83 SER H H 61 9.176 8.391 0.785 2 1 675 . 1 1 A 83 83 SER HA H 61 5.295 4.869 0.426 2 1 678 . 1 1 A 83 83 SER CA C 61 57.388 55.654 1.734 2 1 679 . 1 1 A 83 83 SER CB C 61 68.052 66.124 1.928 2 1 680 . 1 1 A 83 83 SER N N 61 116.871 119.685 -2.814 2 1 681 . 1 1 A 84 84 PRO HA H 62 4.907 4.036 0.871 2 1 688 . 1 1 A 84 84 PRO C C 62 175.210 175.126 0.084 2 1 689 . 1 1 A 84 84 PRO CA C 62 64.539 63.682 0.857 2 1 690 . 1 1 A 84 84 PRO CB C 62 32.726 31.705 1.021 2 1 693 . 1 1 A 85 85 ASP H H 63 7.228 7.520 -0.292 2 1 694 . 1 1 A 85 85 ASP HA H 63 4.630 5.260 -0.630 2 1 697 . 1 1 A 85 85 ASP C C 63 174.540 176.112 -1.572 2 1 698 . 1 1 A 85 85 ASP CA C 63 53.119 53.097 0.022 2 1 699 . 1 1 A 85 85 ASP CB C 63 42.880 43.585 -0.705 2 1 700 . 1 1 A 85 85 ASP N N 63 112.313 116.731 -4.418 2 1 701 . 1 1 A 86 86 GLU H H 64 8.761 9.428 -0.667 2 1 702 . 1 1 A 86 86 GLU HA H 64 3.321 4.124 -0.803 2 1 707 . 1 1 A 86 86 GLU C C 64 178.440 178.429 0.011 2 1 708 . 1 1 A 86 86 GLU CA C 64 59.937 59.692 0.245 2 1 709 . 1 1 A 86 86 GLU CB C 64 29.707 29.615 0.092 2 1 711 . 1 1 A 86 86 GLU N N 64 120.055 123.627 -3.572 2 1 712 . 1 1 A 87 87 ASP H H 65 8.332 8.337 -0.005 2 1 713 . 1 1 A 87 87 ASP HA H 65 4.414 4.320 0.094 2 1 716 . 1 1 A 87 87 ASP C C 65 179.400 178.367 1.033 2 1 717 . 1 1 A 87 87 ASP CA C 65 57.203 57.662 -0.459 2 1 718 . 1 1 A 87 87 ASP CB C 65 40.323 41.271 -0.948 2 1 719 . 1 1 A 87 87 ASP N N 65 121.933 120.288 1.645 2 1 720 . 1 1 A 88 88 SER H H 66 8.949 8.084 0.865 2 1 721 . 1 1 A 88 88 SER HA H 66 4.169 4.206 -0.037 2 1 724 . 1 1 A 88 88 SER C C 66 176.110 176.554 -0.444 2 1 725 . 1 1 A 88 88 SER CA C 66 62.032 62.090 -0.058 2 1 726 . 1 1 A 88 88 SER CB C 66 62.178 63.069 -0.890 2 1 727 . 1 1 A 88 88 SER N N 66 119.726 115.478 4.248 2 1 728 . 1 1 A 89 89 LEU H H 67 7.737 8.801 -1.064 2 1 729 . 1 1 A 89 89 LEU HA H 67 4.017 4.422 -0.405 2 1 739 . 1 1 A 89 89 LEU C C 67 177.790 178.156 -0.366 2 1 740 . 1 1 A 89 89 LEU CA C 67 57.958 58.388 -0.430 2 1 741 . 1 1 A 89 89 LEU CB C 67 42.394 42.271 0.123 2 1 745 . 1 1 A 89 89 LEU N N 67 122.942 122.563 0.379 2 1 746 . 1 1 A 90 90 ALA H H 68 7.483 9.392 -1.909 2 1 747 . 1 1 A 90 90 ALA HA H 68 3.780 4.022 -0.242 2 1 751 . 1 1 A 90 90 ALA C C 68 180.410 179.418 0.992 2 1 752 . 1 1 A 90 90 ALA CA C 68 54.782 54.711 0.071 2 1 753 . 1 1 A 90 90 ALA CB C 68 17.857 18.438 -0.581 2 1 754 . 1 1 A 90 90 ALA N N 68 119.446 120.420 -0.974 2 1 755 . 1 1 A 91 91 HIS H H 69 7.707 8.203 -0.496 2 1 756 . 1 1 A 91 91 HIS HA H 69 4.377 4.034 0.343 2 1 760 . 1 1 A 91 91 HIS C C 69 177.865 177.086 0.779 2 1 761 . 1 1 A 91 91 HIS CA C 69 59.518 59.553 -0.035 2 1 762 . 1 1 A 91 91 HIS CB C 69 30.954 29.576 1.378 2 1 763 . 1 1 A 91 91 HIS N N 69 116.881 117.876 -0.995 2 1 764 . 1 1 A 92 92 MET H H 70 8.467 8.257 0.210 2 1 765 . 1 1 A 92 92 MET HA H 70 4.087 3.936 0.151 2 1 770 . 1 1 A 92 92 MET C C 70 178.390 178.052 0.338 2 1 771 . 1 1 A 92 92 MET CA C 70 55.584 58.587 -3.003 2 1 772 . 1 1 A 92 92 MET CB C 70 29.773 33.299 -3.526 2 1 774 . 1 1 A 92 92 MET N N 70 116.968 116.931 0.037 2 1 775 . 1 1 A 93 93 GLN H H 71 8.309 8.233 0.076 2 1 776 . 1 1 A 93 93 GLN HA H 71 2.874 4.002 -1.128 2 1 781 . 1 1 A 93 93 GLN C C 71 178.420 178.057 0.363 2 1 782 . 1 1 A 93 93 GLN CA C 71 58.852 58.502 0.350 2 1 783 . 1 1 A 93 93 GLN CB C 71 27.658 27.938 -0.280 2 1 785 . 1 1 A 93 93 GLN N N 71 120.665 117.258 3.407 2 1 786 . 1 1 A 94 94 ASN H H 72 6.899 8.220 -1.321 2 1 787 . 1 1 A 94 94 ASN HA H 72 4.596 4.420 0.176 2 1 790 . 1 1 A 94 94 ASN C C 72 177.380 177.489 -0.109 2 1 791 . 1 1 A 94 94 ASN CA C 72 56.037 55.971 0.066 2 1 792 . 1 1 A 94 94 ASN CB C 72 38.219 38.502 -0.283 2 1 793 . 1 1 A 94 94 ASN N N 72 116.271 118.891 -2.620 2 1 794 . 1 1 A 95 95 VAL H H 73 8.050 7.640 0.410 2 1 795 . 1 1 A 95 95 VAL HA H 73 3.983 3.474 0.509 2 1 803 . 1 1 A 95 95 VAL C C 73 180.050 178.190 1.860 2 1 804 . 1 1 A 95 95 VAL CA C 73 66.515 66.081 0.434 2 1 805 . 1 1 A 95 95 VAL CB C 73 32.587 31.338 1.249 2 1 808 . 1 1 A 95 95 VAL N N 73 121.798 119.454 2.344 2 1 809 . 1 1 A 96 96 VAL H H 74 9.082 7.639 1.443 2 1 810 . 1 1 A 96 96 VAL HA H 74 3.986 2.882 1.104 2 1 818 . 1 1 A 96 96 VAL C C 74 177.490 177.945 -0.454 2 1 819 . 1 1 A 96 96 VAL CA C 74 67.947 66.052 1.895 2 1 820 . 1 1 A 96 96 VAL CB C 74 31.966 31.286 0.680 2 1 823 . 1 1 A 96 96 VAL N N 74 120.549 120.576 -0.027 2 1 824 . 1 1 A 97 97 ALA H H 75 8.285 7.769 0.516 2 1 825 . 1 1 A 97 97 ALA HA H 75 4.108 3.951 0.157 2 1 829 . 1 1 A 97 97 ALA C C 75 179.320 179.310 0.010 2 1 830 . 1 1 A 97 97 ALA CA C 75 56.117 54.900 1.217 2 1 831 . 1 1 A 97 97 ALA CB C 75 19.867 18.458 1.409 2 1 832 . 1 1 A 97 97 ALA N N 75 120.375 121.663 -1.288 2 1 833 . 1 1 A 98 98 ASP H H 76 8.522 7.604 0.918 2 1 834 . 1 1 A 98 98 ASP HA H 76 4.356 4.372 -0.017 2 1 837 . 1 1 A 98 98 ASP C C 76 179.100 178.668 0.432 2 1 838 . 1 1 A 98 98 ASP CA C 76 57.252 57.321 -0.069 2 1 839 . 1 1 A 98 98 ASP CB C 76 41.335 41.000 0.335 2 1 840 . 1 1 A 98 98 ASP N N 76 116.871 118.670 -1.799 2 1 841 . 1 1 A 99 99 HIS H H 77 8.162 7.756 0.406 2 1 842 . 1 1 A 99 99 HIS HA H 77 3.847 4.346 -0.499 2 1 846 . 1 1 A 99 99 HIS C C 77 177.440 178.095 -0.655 2 1 847 . 1 1 A 99 99 HIS CA C 77 61.636 59.350 2.286 2 1 848 . 1 1 A 99 99 HIS CB C 77 29.328 29.837 -0.509 2 1 849 . 1 1 A 99 99 HIS N N 77 116.758 118.642 -1.884 2 1 850 . 1 1 A 100 100 LEU H H 78 8.718 8.282 0.436 2 1 851 . 1 1 A 100 100 LEU HA H 78 3.862 3.935 -0.073 2 1 861 . 1 1 A 100 100 LEU C C 78 177.720 179.496 -1.776 2 1 862 . 1 1 A 100 100 LEU CA C 78 58.746 57.412 1.334 2 1 863 . 1 1 A 100 100 LEU CB C 78 40.324 41.144 -0.820 2 1 867 . 1 1 A 100 100 LEU N N 78 120.332 119.205 1.127 2 1 868 . 1 1 A 101 101 GLN H H 79 8.167 8.119 0.048 2 1 869 . 1 1 A 101 101 GLN HA H 79 3.973 4.000 -0.027 2 1 874 . 1 1 A 101 101 GLN C C 79 178.990 178.608 0.382 2 1 875 . 1 1 A 101 101 GLN CA C 79 58.359 58.991 -0.632 2 1 876 . 1 1 A 101 101 GLN CB C 79 29.575 28.616 0.959 2 1 878 . 1 1 A 101 101 GLN N N 79 115.715 119.792 -4.077 2 1 879 . 1 1 A 102 102 ARG H H 80 7.835 7.863 -0.028 2 1 880 . 1 1 A 102 102 ARG HA H 80 3.990 4.062 -0.072 2 1 887 . 1 1 A 102 102 ARG C C 80 178.540 178.067 0.473 2 1 888 . 1 1 A 102 102 ARG CA C 80 58.789 58.991 -0.202 2 1 889 . 1 1 A 102 102 ARG CB C 80 30.218 29.982 0.236 2 1 892 . 1 1 A 102 102 ARG N N 80 118.207 119.391 -1.184 2 1 893 . 1 1 A 103 103 MET H H 81 7.645 7.937 -0.292 2 1 894 . 1 1 A 103 103 MET HA H 81 4.353 4.175 0.178 2 1 899 . 1 1 A 103 103 MET C C 81 176.300 176.157 0.143 2 1 900 . 1 1 A 103 103 MET CA C 81 55.646 56.764 -1.119 2 1 901 . 1 1 A 103 103 MET CB C 81 32.620 31.939 0.681 2 1 903 . 1 1 A 103 103 MET N N 81 116.250 116.017 0.233 2 1 904 . 1 1 A 104 104 ALA H H 82 7.324 7.674 -0.350 2 1 905 . 1 1 A 104 104 ALA HA H 82 4.386 4.600 -0.214 2 1 909 . 1 1 A 104 104 ALA CA C 82 51.004 51.430 -0.426 2 1 910 . 1 1 A 104 104 ALA CB C 82 17.678 20.338 -2.660 2 1 911 . 1 1 A 104 104 ALA N N 82 123.602 121.963 1.639 2 1 912 . 1 1 A 106 106 SER HA H 84 4.610 4.523 0.087 2 1 915 . 1 1 A 106 106 SER C C 84 173.480 173.511 -0.031 2 1 916 . 1 1 A 106 106 SER CA C 84 58.041 59.383 -1.342 2 1 917 . 1 1 A 106 106 SER CB C 84 64.139 64.485 -0.346 2 1 918 . 1 1 A 107 107 GLU H H 85 7.443 7.868 -0.425 2 1 919 . 1 1 A 107 107 GLU HA H 85 4.640 4.696 -0.056 2 1 924 . 1 1 A 107 107 GLU CA C 85 55.058 55.188 -0.130 2 1 925 . 1 1 A 107 107 GLU CB C 85 32.203 31.820 0.383 2 1 927 . 1 1 A 107 107 GLU N N 85 119.316 117.957 1.359 2 1 928 . 1 1 A 108 108 SER HA H 86 4.549 4.744 -0.195 2 1 931 . 1 1 A 108 108 SER C C 86 174.220 174.078 0.142 2 1 932 . 1 1 A 108 108 SER CA C 86 57.291 57.581 -0.290 2 1 933 . 1 1 A 108 108 SER CB C 86 62.819 61.624 1.195 2 1 934 . 1 1 A 109 109 LEU H H 87 9.011 8.389 0.622 2 1 935 . 1 1 A 109 109 LEU HA H 87 4.606 3.943 0.663 2 1 945 . 1 1 A 109 109 LEU C C 87 176.720 176.312 0.408 2 1 946 . 1 1 A 109 109 LEU CA C 87 54.024 55.564 -1.540 2 1 947 . 1 1 A 109 109 LEU CB C 87 43.358 40.804 2.554 2 1 951 . 1 1 A 109 109 LEU N N 87 126.582 121.854 4.728 2 1 952 . 1 1 A 110 110 GLU H H 88 8.530 8.881 -0.351 2 1 953 . 1 1 A 110 110 GLU HA H 88 4.541 4.546 -0.005 2 1 958 . 1 1 A 110 110 GLU C C 88 175.340 176.017 -0.677 2 1 959 . 1 1 A 110 110 GLU CA C 88 55.555 56.446 -0.891 2 1 960 . 1 1 A 110 110 GLU CB C 88 29.970 29.899 0.071 2 1 962 . 1 1 A 110 110 GLU N N 88 123.263 125.615 -2.352 2 1 963 . 1 1 A 111 111 ILE H H 89 8.842 8.459 0.383 2 1 964 . 1 1 A 111 111 ILE HA H 89 3.911 4.942 -1.031 2 1 974 . 1 1 A 111 111 ILE C C 89 173.250 174.049 -0.799 2 1 975 . 1 1 A 111 111 ILE CA C 89 61.207 59.248 1.959 2 1 976 . 1 1 A 111 111 ILE CB C 89 38.989 41.199 -2.210 2 1 980 . 1 1 A 111 111 ILE N N 89 128.558 121.486 7.072 2 1 981 . 1 1 A 112 112 ALA H H 90 8.651 8.879 -0.228 2 1 982 . 1 1 A 112 112 ALA HA H 90 4.733 4.837 -0.104 2 1 986 . 1 1 A 112 112 ALA C C 90 177.040 176.693 0.347 2 1 987 . 1 1 A 112 112 ALA CA C 90 50.598 50.290 0.308 2 1 988 . 1 1 A 112 112 ALA CB C 90 21.517 19.971 1.546 2 1 989 . 1 1 A 112 112 ALA N N 90 131.215 128.134 3.081 2 1 990 . 1 1 A 113 113 TRP H H 91 9.084 8.539 0.545 2 1 991 . 1 1 A 113 113 TRP HA H 91 5.129 5.313 -0.184 2 1 996 . 1 1 A 113 113 TRP C C 91 176.725 176.231 0.494 2 1 997 . 1 1 A 113 113 TRP CA C 91 56.263 55.394 0.869 2 1 998 . 1 1 A 113 113 TRP CB C 91 31.282 31.155 0.127 2 1 999 . 1 1 A 113 113 TRP N N 91 125.391 124.542 0.849 2 1 1001 . 1 1 A 114 114 GLN H H 92 9.712 9.212 0.500 2 1 1002 . 1 1 A 114 114 GLN HA H 92 5.078 4.556 0.522 2 1 1007 . 1 1 A 114 114 GLN CA C 92 52.872 54.151 -1.279 2 1 1008 . 1 1 A 114 114 GLN CB C 92 30.288 28.310 1.978 2 1 1010 . 1 1 A 114 114 GLN N N 92 122.696 121.328 1.368 2 1 1011 . 1 1 A 115 115 PRO HA H 93 4.689 4.461 0.228 2 1 1018 . 1 1 A 115 115 PRO C C 93 176.690 177.126 -0.436 2 1 1019 . 1 1 A 115 115 PRO CA C 93 63.246 65.284 -2.038 2 1 1020 . 1 1 A 115 115 PRO CB C 93 32.152 31.822 0.330 2 1 1023 . 1 1 A 116 116 ALA H H 94 8.429 7.986 0.443 2 1 1024 . 1 1 A 116 116 ALA HA H 94 4.615 4.536 0.079 2 1 1028 . 1 1 A 116 116 ALA C C 94 177.230 176.355 0.875 2 1 1029 . 1 1 A 116 116 ALA CA C 94 51.966 53.865 -1.899 2 1 1030 . 1 1 A 116 116 ALA CB C 94 20.497 17.633 2.864 2 1 1031 . 1 1 A 116 116 ALA N N 94 125.566 119.314 6.252 2 1 1032 . 1 1 A 117 117 GLU H H 95 8.754 7.983 0.771 2 1 1033 . 1 1 A 117 117 GLU HA H 95 4.479 4.674 -0.195 2 1 1038 . 1 1 A 117 117 GLU CA C 95 56.146 56.237 -0.091 2 1 1039 . 1 1 A 117 117 GLU CB C 95 30.856 31.900 -1.044 2 stop_ save_