data_15370_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15370
_Entry.PDB_ID 2JSN
_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 1 . 1 1 1 A 2 2 GLY H H 2 8.575 8.694 -0.119 1
1 2 . 1 1 1 A 2 2 GLY HA3 H 2 3.941 3.693 0.248 1
1 3 . 1 1 1 A 2 2 GLY CA C 2 45.109 45.054 0.055 1
1 4 . 1 1 1 A 2 2 GLY N N 2 110.363 110.182 0.181 1
1 5 . 1 1 1 A 3 3 HIS H H 3 8.398 7.759 0.639 1
1 7 . 1 1 1 A 3 3 HIS CA C 3 55.958 56.491 -0.533 1
1 8 . 1 1 1 A 3 3 HIS CB C 3 29.588 27.208 2.380 1
1 9 . 1 1 1 A 3 3 HIS N N 3 118.248 114.907 3.341 1
1 10 . 1 1 1 A 6 6 HIS HA H 6 4.637 4.931 -0.294 1
1 12 . 1 1 1 A 6 6 HIS CA C 6 55.805 55.265 0.540 1
1 13 . 1 1 1 A 6 6 HIS CB C 6 29.866 33.439 -3.573 1
1 14 . 1 1 1 A 7 7 HIS H H 7 8.775 7.818 0.957 1
1 15 . 1 1 1 A 7 7 HIS HA H 7 4.639 4.732 -0.093 1
1 18 . 1 1 1 A 7 7 HIS CA C 7 55.959 54.106 1.853 1
1 19 . 1 1 1 A 7 7 HIS CB C 7 29.834 31.990 -2.156 1
1 20 . 1 1 1 A 7 7 HIS N N 7 120.965 117.700 3.265 1
1 21 . 1 1 1 A 8 8 HIS H H 8 8.591 8.635 -0.044 1
1 22 . 1 1 1 A 8 8 HIS HA H 8 4.447 4.482 -0.035 1
1 25 . 1 1 1 A 8 8 HIS CA C 8 56.009 57.282 -1.273 1
1 26 . 1 1 1 A 8 8 HIS CB C 8 32.890 30.387 2.503 1
1 27 . 1 1 1 A 8 8 HIS N N 8 122.251 119.695 2.556 1
1 28 . 1 1 1 A 9 9 LEU H H 9 8.430 7.135 1.295 1
1 29 . 1 1 1 A 9 9 LEU HA H 9 4.359 4.040 0.319 1
1 39 . 1 1 1 A 9 9 LEU C C 9 177.241 177.794 -0.553 1
1 40 . 1 1 1 A 9 9 LEU CA C 9 55.395 56.166 -0.771 1
1 41 . 1 1 1 A 9 9 LEU CB C 9 42.317 43.150 -0.833 1
1 45 . 1 1 1 A 9 9 LEU N N 9 123.074 124.031 -0.957 1
1 46 . 1 1 1 A 10 10 ASP H H 10 8.358 9.254 -0.896 1
1 47 . 1 1 1 A 10 10 ASP HA H 10 4.606 4.296 0.310 1
1 50 . 1 1 1 A 10 10 ASP C C 10 176.490 178.229 -1.739 1
1 51 . 1 1 1 A 10 10 ASP CA C 10 54.541 57.414 -2.873 1
1 52 . 1 1 1 A 10 10 ASP CB C 10 41.244 40.459 0.785 1
1 53 . 1 1 1 A 10 10 ASP N N 10 121.299 129.401 -8.102 1
1 54 . 1 1 1 A 11 11 SER H H 11 8.212 8.077 0.135 1
1 55 . 1 1 1 A 11 11 SER HA H 11 4.367 4.425 -0.058 1
1 58 . 1 1 1 A 11 11 SER C C 11 174.210 174.334 -0.124 1
1 59 . 1 1 1 A 11 11 SER CA C 11 58.750 61.766 -3.016 1
1 60 . 1 1 1 A 11 11 SER CB C 11 63.743 63.435 0.308 1
1 61 . 1 1 1 A 11 11 SER N N 11 115.863 114.087 1.776 1
1 62 . 1 1 1 A 12 12 TYR H H 12 8.207 8.059 0.148 1
1 63 . 1 1 1 A 12 12 TYR HA H 12 4.562 4.814 -0.252 1
1 70 . 1 1 1 A 12 12 TYR C C 12 175.105 175.387 -0.282 1
1 71 . 1 1 1 A 12 12 TYR CA C 12 57.994 58.229 -0.235 1
1 72 . 1 1 1 A 12 12 TYR CB C 12 38.821 40.398 -1.577 1
1 77 . 1 1 1 A 12 12 TYR N N 12 121.901 121.897 0.004 1
1 78 . 1 1 1 A 13 13 ALA H H 13 8.033 8.280 -0.247 1
1 79 . 1 1 1 A 13 13 ALA HA H 13 4.552 4.762 -0.210 1
1 83 . 1 1 1 A 13 13 ALA C C 13 174.997 173.998 0.999 1
1 84 . 1 1 1 A 13 13 ALA CA C 13 50.585 50.156 0.429 1
1 85 . 1 1 1 A 13 13 ALA CB C 13 18.488 21.887 -3.399 1
1 86 . 1 1 1 A 13 13 ALA N N 13 126.839 124.161 2.678 1
1 87 . 1 1 1 A 14 14 PRO HA H 14 4.390 4.575 -0.185 1
1 94 . 1 1 1 A 14 14 PRO C C 14 176.894 177.023 -0.129 1
1 95 . 1 1 1 A 14 14 PRO CA C 14 63.199 62.671 0.528 1
1 96 . 1 1 1 A 14 14 PRO CB C 14 32.210 32.073 0.137 1
1 99 . 1 1 1 A 15 15 ARG H H 15 8.492 8.377 0.115 1
1 100 . 1 1 1 A 15 15 ARG HA H 15 4.357 4.226 0.131 1
1 104 . 1 1 1 A 15 15 ARG C C 15 176.040 175.606 0.434 1
1 105 . 1 1 1 A 15 15 ARG CA C 15 56.029 56.179 -0.150 1
1 106 . 1 1 1 A 15 15 ARG CB C 15 31.097 30.429 0.668 1
1 108 . 1 1 1 A 15 15 ARG N N 15 121.148 119.507 1.641 1
1 109 . 1 1 1 A 16 16 ALA H H 16 8.511 8.227 0.284 1
1 110 . 1 1 1 A 16 16 ALA HA H 16 4.352 4.219 0.133 1
1 114 . 1 1 1 A 16 16 ALA C C 16 177.569 177.839 -0.270 1
1 115 . 1 1 1 A 16 16 ALA CA C 16 52.771 52.388 0.383 1
1 116 . 1 1 1 A 16 16 ALA CB C 16 19.291 18.847 0.444 1
1 117 . 1 1 1 A 16 16 ALA N N 16 125.410 123.242 2.168 1
1 118 . 1 1 1 A 17 17 GLU H H 17 8.513 8.517 -0.004 1
1 119 . 1 1 1 A 17 17 GLU HA H 17 4.681 4.412 0.269 1
1 124 . 1 1 1 A 17 17 GLU C C 17 176.040 176.498 -0.458 1
1 125 . 1 1 1 A 17 17 GLU CA C 17 56.240 55.516 0.724 1
1 126 . 1 1 1 A 17 17 GLU CB C 17 31.430 30.657 0.773 1
1 128 . 1 1 1 A 17 17 GLU N N 17 120.135 119.807 0.328 1
1 129 . 1 1 1 A 20 20 LYS HA H 20 4.642 4.844 -0.202 1
1 132 . 1 1 1 A 20 20 LYS C C 20 174.395 175.076 -0.681 1
1 133 . 1 1 1 A 20 20 LYS CA C 20 55.041 55.192 -0.151 1
1 134 . 1 1 1 A 20 20 LYS CB C 20 36.603 36.221 0.382 1
1 135 . 1 1 1 A 21 21 THR H H 21 8.278 8.477 -0.199 1
1 136 . 1 1 1 A 21 21 THR HA H 21 5.185 4.671 0.514 1
1 141 . 1 1 1 A 21 21 THR C C 21 174.123 174.120 0.003 1
1 142 . 1 1 1 A 21 21 THR CA C 21 62.206 61.892 0.314 1
1 143 . 1 1 1 A 21 21 THR CB C 21 69.740 69.915 -0.175 1
1 145 . 1 1 1 A 21 21 THR N N 21 118.285 116.039 2.246 1
1 146 . 1 1 1 A 22 22 PHE H H 22 9.552 9.205 0.347 1
1 147 . 1 1 1 A 22 22 PHE HA H 22 4.934 4.987 -0.053 1
1 155 . 1 1 1 A 22 22 PHE CA C 22 57.809 55.702 2.107 1
1 156 . 1 1 1 A 22 22 PHE CB C 22 43.018 43.989 -0.971 1
1 162 . 1 1 1 A 22 22 PHE N N 22 125.884 120.959 4.925 1
1 163 . 1 1 1 A 23 23 SER H H 23 8.489 8.438 0.051 1
1 164 . 1 1 1 A 23 23 SER HA H 23 4.874 4.834 0.040 1
1 167 . 1 1 1 A 23 23 SER CA C 23 57.308 57.093 0.215 1
1 168 . 1 1 1 A 23 23 SER CB C 23 65.134 67.467 -2.333 1
1 169 . 1 1 1 A 23 23 SER N N 23 116.064 114.511 1.553 1
1 170 . 1 1 1 A 24 24 TYR H H 24 8.561 8.519 0.042 1
1 171 . 1 1 1 A 24 24 TYR HA H 24 3.787 4.824 -1.037 1
1 178 . 1 1 1 A 24 24 TYR CA C 24 55.942 55.395 0.547 1
1 179 . 1 1 1 A 24 24 TYR CB C 24 39.190 41.262 -2.072 1
1 184 . 1 1 1 A 24 24 TYR N N 24 120.614 118.504 2.110 1
1 185 . 1 1 1 A 25 25 PRO HA H 25 3.195 4.602 -1.407 1
1 192 . 1 1 1 A 25 25 PRO CA C 25 61.641 62.968 -1.327 1
1 193 . 1 1 1 A 25 25 PRO CB C 25 33.950 32.977 0.973 1
1 196 . 1 1 1 A 29 29 LEU HA H 29 4.651 5.066 -0.415 1
1 199 . 1 1 1 A 29 29 LEU C C 29 175.676 173.963 1.713 1
1 200 . 1 1 1 A 29 29 LEU CA C 29 54.443 53.758 0.685 1
1 201 . 1 1 1 A 29 29 LEU CB C 29 43.096 46.394 -3.298 1
1 204 . 1 1 1 A 30 30 LEU H H 30 8.665 8.798 -0.133 1
1 205 . 1 1 1 A 30 30 LEU HA H 30 5.369 5.397 -0.028 1
1 212 . 1 1 1 A 30 30 LEU C C 30 176.370 175.056 1.314 1
1 213 . 1 1 1 A 30 30 LEU CA C 30 53.005 53.769 -0.764 1
1 214 . 1 1 1 A 30 30 LEU CB C 30 43.867 46.075 -2.208 1
1 217 . 1 1 1 A 30 30 LEU N N 30 126.293 126.129 0.164 1
1 218 . 1 1 1 A 31 31 LYS H H 31 9.288 9.138 0.150 1
1 219 . 1 1 1 A 31 31 LYS HA H 31 4.664 4.937 -0.273 1
1 228 . 1 1 1 A 31 31 LYS C C 31 173.995 174.428 -0.433 1
1 229 . 1 1 1 A 31 31 LYS CA C 31 54.758 54.206 0.552 1
1 230 . 1 1 1 A 31 31 LYS CB C 31 37.173 36.111 1.062 1
1 234 . 1 1 1 A 31 31 LYS N N 31 119.484 119.264 0.220 1
1 235 . 1 1 1 A 32 32 LEU H H 32 8.724 8.681 0.043 1
1 236 . 1 1 1 A 32 32 LEU HA H 32 4.972 4.990 -0.018 1
1 246 . 1 1 1 A 32 32 LEU C C 32 177.274 174.865 2.409 1
1 247 . 1 1 1 A 32 32 LEU CA C 32 54.494 53.672 0.822 1
1 248 . 1 1 1 A 32 32 LEU CB C 32 43.119 44.177 -1.058 1
1 252 . 1 1 1 A 32 32 LEU N N 32 124.082 123.307 0.775 1
1 253 . 1 1 1 A 33 33 HIS H H 33 9.361 9.017 0.344 1
1 254 . 1 1 1 A 33 33 HIS HA H 33 4.698 4.902 -0.204 1
1 257 . 1 1 1 A 33 33 HIS C C 33 174.092 175.269 -1.177 1
1 258 . 1 1 1 A 33 33 HIS CA C 33 56.497 54.373 2.124 1
1 259 . 1 1 1 A 33 33 HIS CB C 33 32.274 33.069 -0.795 1
1 260 . 1 1 1 A 33 33 HIS N N 33 125.743 124.557 1.186 1
1 261 . 1 1 1 A 34 34 ASP H H 34 9.134 9.573 -0.439 1
1 262 . 1 1 1 A 34 34 ASP HA H 34 4.146 4.163 -0.017 1
1 265 . 1 1 1 A 34 34 ASP C C 34 174.644 175.137 -0.493 1
1 266 . 1 1 1 A 34 34 ASP CA C 34 55.976 55.135 0.841 1
1 267 . 1 1 1 A 34 34 ASP CB C 34 39.179 39.561 -0.382 1
1 268 . 1 1 1 A 34 34 ASP N N 34 128.890 124.559 4.331 1
1 269 . 1 1 1 A 35 35 GLU H H 35 8.648 8.607 0.041 1
1 270 . 1 1 1 A 35 35 GLU HA H 35 3.681 3.836 -0.155 1
1 275 . 1 1 1 A 35 35 GLU C C 35 174.234 174.703 -0.469 1
1 276 . 1 1 1 A 35 35 GLU CA C 35 57.346 57.898 -0.552 1
1 277 . 1 1 1 A 35 35 GLU CB C 35 27.735 27.562 0.173 1
1 279 . 1 1 1 A 35 35 GLU N N 35 109.734 110.340 -0.606 1
1 280 . 1 1 1 A 36 36 ARG H H 36 7.710 7.688 0.022 1
1 281 . 1 1 1 A 36 36 ARG HA H 36 4.515 5.094 -0.579 1
1 285 . 1 1 1 A 36 36 ARG C C 36 174.063 174.686 -0.623 1
1 286 . 1 1 1 A 36 36 ARG CA C 36 54.212 53.968 0.244 1
1 287 . 1 1 1 A 36 36 ARG CB C 36 33.371 33.993 -0.622 1
1 289 . 1 1 1 A 36 36 ARG N N 36 116.091 118.373 -2.282 1
1 290 . 1 1 1 A 37 37 VAL H H 37 8.803 8.589 0.214 1
1 291 . 1 1 1 A 37 37 VAL HA H 37 4.375 4.727 -0.352 1
1 299 . 1 1 1 A 37 37 VAL C C 37 174.388 175.210 -0.822 1
1 300 . 1 1 1 A 37 37 VAL CA C 37 62.620 62.054 0.566 1
1 301 . 1 1 1 A 37 37 VAL CB C 37 31.484 31.932 -0.448 1
1 304 . 1 1 1 A 37 37 VAL N N 37 122.430 122.055 0.375 1
1 305 . 1 1 1 A 38 38 LEU H H 38 8.966 9.044 -0.078 1
1 306 . 1 1 1 A 38 38 LEU HA H 38 5.495 5.298 0.197 1
1 316 . 1 1 1 A 38 38 LEU C C 38 177.365 176.285 1.080 1
1 317 . 1 1 1 A 38 38 LEU CA C 38 52.624 53.391 -0.767 1
1 318 . 1 1 1 A 38 38 LEU CB C 38 46.189 45.468 0.721 1
1 322 . 1 1 1 A 38 38 LEU N N 38 125.739 127.710 -1.971 1
1 323 . 1 1 1 A 39 39 VAL H H 39 8.899 9.284 -0.385 1
1 324 . 1 1 1 A 39 39 VAL HA H 39 4.006 3.984 0.022 1
1 332 . 1 1 1 A 39 39 VAL C C 39 176.380 176.329 0.051 1
1 333 . 1 1 1 A 39 39 VAL CA C 39 63.763 63.316 0.447 1
1 334 . 1 1 1 A 39 39 VAL CB C 39 31.629 31.329 0.300 1
1 337 . 1 1 1 A 39 39 VAL N N 39 119.125 122.844 -3.719 1
1 338 . 1 1 1 A 40 40 ALA H H 40 9.755 8.979 0.776 1
1 339 . 1 1 1 A 40 40 ALA HA H 40 4.533 4.347 0.186 1
1 343 . 1 1 1 A 40 40 ALA C C 40 176.636 177.274 -0.638 1
1 344 . 1 1 1 A 40 40 ALA CA C 40 52.536 54.011 -1.475 1
1 345 . 1 1 1 A 40 40 ALA CB C 40 20.860 20.334 0.526 1
1 346 . 1 1 1 A 40 40 ALA N N 40 133.618 129.561 4.057 1
1 347 . 1 1 1 A 41 41 PHE H H 41 7.761 7.520 0.241 1
1 348 . 1 1 1 A 41 41 PHE HA H 41 4.299 4.838 -0.539 1
1 353 . 1 1 1 A 41 41 PHE C C 41 172.990 174.597 -1.607 1
1 354 . 1 1 1 A 41 41 PHE CA C 41 59.306 57.574 1.732 1
1 355 . 1 1 1 A 41 41 PHE CB C 41 42.621 42.704 -0.083 1
1 358 . 1 1 1 A 41 41 PHE N N 41 117.497 116.510 0.987 1
1 359 . 1 1 1 A 42 42 GLY H H 42 7.709 7.677 0.032 1
1 360 . 1 1 1 A 42 42 GLY HA2 H 42 4.190 3.951 0.239 1
1 361 . 1 1 1 A 42 42 GLY HA3 H 42 3.327 3.966 -0.639 1
1 362 . 1 1 1 A 42 42 GLY C C 42 171.542 174.674 -3.132 1
1 363 . 1 1 1 A 42 42 GLY CA C 42 44.310 45.117 -0.807 1
1 364 . 1 1 1 A 42 42 GLY N N 42 114.790 112.811 1.979 1
1 365 . 1 1 1 A 43 43 GLN HA H 43 4.366 4.228 0.138 1
1 372 . 1 1 1 A 43 43 GLN CA C 43 55.207 56.085 -0.878 1
1 373 . 1 1 1 A 43 43 GLN CB C 43 30.347 29.165 1.182 1
1 376 . 1 1 1 A 49 49 VAL HA H 49 3.386 4.088 -0.702 1
1 384 . 1 1 1 A 49 49 VAL C C 49 177.680 176.480 1.200 1
1 385 . 1 1 1 A 49 49 VAL CA C 49 64.730 63.301 1.429 1
1 386 . 1 1 1 A 49 49 VAL CB C 49 31.489 31.610 -0.121 1
1 389 . 1 1 1 A 50 50 GLY H H 50 9.040 8.828 0.212 1
1 390 . 1 1 1 A 50 50 GLY HA2 H 50 4.505 3.979 0.526 1
1 391 . 1 1 1 A 50 50 GLY HA3 H 50 3.562 3.987 -0.425 1
1 392 . 1 1 1 A 50 50 GLY C C 50 175.034 174.313 0.721 1
1 393 . 1 1 1 A 50 50 GLY CA C 50 44.901 45.270 -0.369 1
1 394 . 1 1 1 A 50 50 GLY N N 50 115.994 114.581 1.413 1
1 395 . 1 1 1 A 51 51 HIS H H 51 8.228 7.934 0.294 1
1 396 . 1 1 1 A 51 51 HIS HA H 51 4.614 4.456 0.158 1
1 400 . 1 1 1 A 51 51 HIS C C 51 174.681 174.861 -0.180 1
1 401 . 1 1 1 A 51 51 HIS CA C 51 57.434 56.623 0.811 1
1 402 . 1 1 1 A 51 51 HIS CB C 51 32.934 31.207 1.727 1
1 404 . 1 1 1 A 51 51 HIS N N 51 120.280 119.726 0.554 1
1 405 . 1 1 1 A 52 52 ALA H H 52 9.229 9.182 0.047 1
1 406 . 1 1 1 A 52 52 ALA HA H 52 5.587 5.230 0.357 1
1 410 . 1 1 1 A 52 52 ALA C C 52 177.988 176.330 1.658 1
1 411 . 1 1 1 A 52 52 ALA CA C 52 50.053 50.341 -0.288 1
1 412 . 1 1 1 A 52 52 ALA CB C 52 22.023 22.540 -0.517 1
1 413 . 1 1 1 A 52 52 ALA N N 52 121.598 123.474 -1.876 1
1 414 . 1 1 1 A 53 53 VAL HA H 53 3.473 4.180 -0.707 1
1 422 . 1 1 1 A 53 53 VAL C C 53 175.227 175.886 -0.659 1
1 423 . 1 1 1 A 53 53 VAL CA C 53 63.914 63.321 0.593 1
1 424 . 1 1 1 A 53 53 VAL CB C 53 32.339 32.327 0.012 1
1 427 . 1 1 1 A 54 54 LEU H H 54 9.067 9.303 -0.236 1
1 428 . 1 1 1 A 54 54 LEU HA H 54 4.599 4.616 -0.017 1
1 434 . 1 1 1 A 54 54 LEU C C 54 178.208 176.779 1.429 1
1 435 . 1 1 1 A 54 54 LEU CA C 54 55.084 55.664 -0.580 1
1 436 . 1 1 1 A 54 54 LEU CB C 54 43.490 44.017 -0.527 1
1 439 . 1 1 1 A 54 54 LEU N N 54 126.184 125.997 0.187 1
1 440 . 1 1 1 A 55 55 ALA H H 55 7.665 7.667 -0.002 1
1 441 . 1 1 1 A 55 55 ALA HA H 55 4.889 4.960 -0.071 1
1 445 . 1 1 1 A 55 55 ALA C C 55 175.085 175.203 -0.118 1
1 446 . 1 1 1 A 55 55 ALA CA C 55 52.600 51.580 1.020 1
1 447 . 1 1 1 A 55 55 ALA CB C 55 21.847 22.878 -1.031 1
1 448 . 1 1 1 A 55 55 ALA N N 55 119.807 117.158 2.649 1
1 449 . 1 1 1 A 56 56 ILE H H 56 8.209 8.720 -0.511 1
1 450 . 1 1 1 A 56 56 ILE HA H 56 4.643 4.728 -0.085 1
1 460 . 1 1 1 A 56 56 ILE C C 56 176.001 176.333 -0.332 1
1 461 . 1 1 1 A 56 56 ILE CA C 56 59.817 60.123 -0.306 1
1 462 . 1 1 1 A 56 56 ILE CB C 56 41.035 40.608 0.427 1
1 466 . 1 1 1 A 56 56 ILE N N 56 119.114 118.708 0.406 1
1 467 . 1 1 1 A 57 57 ASN H H 57 10.090 9.548 0.542 1
1 468 . 1 1 1 A 57 57 ASN HA H 57 4.523 4.510 0.013 1
1 473 . 1 1 1 A 57 57 ASN C C 57 175.371 175.645 -0.274 1
1 474 . 1 1 1 A 57 57 ASN CA C 57 54.161 54.082 0.079 1
1 475 . 1 1 1 A 57 57 ASN CB C 57 36.953 36.452 0.501 1
1 476 . 1 1 1 A 57 57 ASN N N 57 128.487 126.060 2.427 1
1 478 . 1 1 1 A 58 58 GLY H H 58 9.200 8.346 0.854 1
1 479 . 1 1 1 A 58 58 GLY HA2 H 58 4.080 3.946 0.134 1
1 480 . 1 1 1 A 58 58 GLY HA3 H 58 3.513 3.948 -0.435 1
1 481 . 1 1 1 A 58 58 GLY C C 58 174.149 174.317 -0.168 1
1 482 . 1 1 1 A 58 58 GLY CA C 58 45.464 45.068 0.396 1
1 483 . 1 1 1 A 58 58 GLY N N 58 103.720 108.880 -5.160 1
1 484 . 1 1 1 A 59 59 MET H H 59 7.852 8.189 -0.337 1
1 485 . 1 1 1 A 59 59 MET HA H 59 4.801 4.309 0.492 1
1 490 . 1 1 1 A 59 59 MET C C 59 175.661 175.322 0.339 1
1 491 . 1 1 1 A 59 59 MET CA C 59 53.528 54.442 -0.914 1
1 492 . 1 1 1 A 59 59 MET CB C 59 33.623 31.719 1.904 1
1 494 . 1 1 1 A 59 59 MET N N 59 120.479 121.157 -0.678 1
1 495 . 1 1 1 A 60 60 ASP H H 60 8.931 8.596 0.335 1
1 496 . 1 1 1 A 60 60 ASP HA H 60 4.696 4.701 -0.005 1
1 499 . 1 1 1 A 60 60 ASP C C 60 176.608 175.609 0.999 1
1 500 . 1 1 1 A 60 60 ASP CA C 60 55.789 54.801 0.988 1
1 501 . 1 1 1 A 60 60 ASP CB C 60 40.793 41.308 -0.515 1
1 502 . 1 1 1 A 60 60 ASP N N 60 127.746 126.344 1.402 1
1 503 . 1 1 1 A 61 61 VAL H H 61 7.734 8.478 -0.744 1
1 504 . 1 1 1 A 61 61 VAL HA H 61 4.216 4.273 -0.057 1
1 512 . 1 1 1 A 61 61 VAL C C 61 174.993 175.041 -0.048 1
1 513 . 1 1 1 A 61 61 VAL CA C 61 60.816 61.698 -0.882 1
1 514 . 1 1 1 A 61 61 VAL CB C 61 32.006 32.759 -0.753 1
1 517 . 1 1 1 A 61 61 VAL N N 61 117.791 123.548 -5.757 1
1 518 . 1 1 1 A 62 62 ASN H H 62 9.011 9.060 -0.049 1
1 519 . 1 1 1 A 62 62 ASN HA H 62 5.044 4.898 0.146 1
1 524 . 1 1 1 A 62 62 ASN C C 62 175.375 175.848 -0.473 1
1 525 . 1 1 1 A 62 62 ASN CA C 62 51.604 52.219 -0.615 1
1 526 . 1 1 1 A 62 62 ASN CB C 62 39.209 37.353 1.856 1
1 527 . 1 1 1 A 62 62 ASN N N 62 124.361 124.520 -0.159 1
1 529 . 1 1 1 A 63 63 GLY H H 63 8.699 8.833 -0.134 1
1 530 . 1 1 1 A 63 63 GLY HA2 H 63 4.267 3.874 0.393 1
1 531 . 1 1 1 A 63 63 GLY HA3 H 63 3.760 3.897 -0.137 1
1 532 . 1 1 1 A 63 63 GLY C C 63 173.666 174.402 -0.736 1
1 533 . 1 1 1 A 63 63 GLY CA C 63 47.919 47.208 0.711 1
1 534 . 1 1 1 A 63 63 GLY N N 63 113.974 114.790 -0.816 1
1 535 . 1 1 1 A 64 64 ARG H H 64 8.595 8.474 0.121 1
1 536 . 1 1 1 A 64 64 ARG HA H 64 4.144 4.397 -0.253 1
1 544 . 1 1 1 A 64 64 ARG C C 64 175.001 174.958 0.043 1
1 545 . 1 1 1 A 64 64 ARG CA C 64 55.449 55.386 0.063 1
1 546 . 1 1 1 A 64 64 ARG CB C 64 31.649 31.166 0.483 1
1 549 . 1 1 1 A 64 64 ARG N N 64 124.516 120.942 3.574 1
1 551 . 1 1 1 A 65 65 TYR H H 65 7.959 7.635 0.324 1
1 552 . 1 1 1 A 65 65 TYR HA H 65 5.515 5.347 0.168 1
1 559 . 1 1 1 A 65 65 TYR C C 65 176.353 175.857 0.496 1
1 560 . 1 1 1 A 65 65 TYR CA C 65 57.143 56.657 0.486 1
1 561 . 1 1 1 A 65 65 TYR CB C 65 42.338 41.804 0.534 1
1 566 . 1 1 1 A 65 65 TYR N N 65 119.872 118.938 0.934 1
1 567 . 1 1 1 A 66 66 THR H H 66 9.651 9.005 0.646 1
1 568 . 1 1 1 A 66 66 THR HA H 66 4.418 4.435 -0.017 1
1 573 . 1 1 1 A 66 66 THR C C 66 177.773 175.923 1.850 1
1 574 . 1 1 1 A 66 66 THR CA C 66 61.270 61.106 0.164 1
1 575 . 1 1 1 A 66 66 THR CB C 66 71.305 70.573 0.732 1
1 577 . 1 1 1 A 66 66 THR N N 66 111.062 114.596 -3.534 1
1 578 . 1 1 1 A 67 67 ALA H H 67 9.388 8.978 0.410 1
1 579 . 1 1 1 A 67 67 ALA HA H 67 4.109 3.990 0.119 1
1 583 . 1 1 1 A 67 67 ALA C C 67 177.993 179.458 -1.465 1
1 584 . 1 1 1 A 67 67 ALA CA C 67 55.247 55.345 -0.098 1
1 585 . 1 1 1 A 67 67 ALA CB C 67 18.955 18.261 0.694 1
1 586 . 1 1 1 A 67 67 ALA N N 67 125.051 124.385 0.666 1
1 587 . 1 1 1 A 68 68 ASP H H 68 7.980 7.857 0.123 1
1 588 . 1 1 1 A 68 68 ASP HA H 68 4.674 4.581 0.093 1
1 591 . 1 1 1 A 68 68 ASP C C 68 176.691 176.129 0.562 1
1 592 . 1 1 1 A 68 68 ASP CA C 68 52.824 54.624 -1.800 1
1 593 . 1 1 1 A 68 68 ASP CB C 68 39.776 41.213 -1.437 1
1 594 . 1 1 1 A 68 68 ASP N N 68 111.027 116.393 -5.366 1
1 595 . 1 1 1 A 69 69 GLY H H 69 8.052 7.769 0.283 1
1 596 . 1 1 1 A 69 69 GLY HA2 H 69 4.154 4.038 0.116 1
1 597 . 1 1 1 A 69 69 GLY HA3 H 69 3.569 4.073 -0.504 1
1 598 . 1 1 1 A 69 69 GLY C C 69 174.525 174.607 -0.082 1
1 599 . 1 1 1 A 69 69 GLY CA C 69 46.273 44.878 1.395 1
1 600 . 1 1 1 A 69 69 GLY N N 69 107.666 107.465 0.201 1
1 601 . 1 1 1 A 70 70 LYS H H 70 7.816 7.548 0.268 1
1 602 . 1 1 1 A 70 70 LYS HA H 70 4.639 4.357 0.282 1
1 611 . 1 1 1 A 70 70 LYS C C 70 176.713 176.456 0.257 1
1 612 . 1 1 1 A 70 70 LYS CA C 70 54.753 56.391 -1.638 1
1 613 . 1 1 1 A 70 70 LYS CB C 70 32.589 33.433 -0.844 1
1 617 . 1 1 1 A 70 70 LYS N N 70 120.047 120.437 -0.390 1
1 618 . 1 1 1 A 71 71 GLU H H 71 9.375 8.588 0.787 1
1 619 . 1 1 1 A 71 71 GLU HA H 71 4.366 4.108 0.258 1
1 624 . 1 1 1 A 71 71 GLU C C 71 177.910 177.882 0.028 1
1 625 . 1 1 1 A 71 71 GLU CA C 71 58.297 56.950 1.347 1
1 626 . 1 1 1 A 71 71 GLU CB C 71 29.572 31.060 -1.488 1
1 628 . 1 1 1 A 71 71 GLU N N 71 124.416 125.144 -0.728 1
1 629 . 1 1 1 A 72 72 VAL H H 72 9.028 8.720 0.308 1
1 630 . 1 1 1 A 72 72 VAL HA H 72 3.258 3.696 -0.438 1
1 638 . 1 1 1 A 72 72 VAL C C 72 177.159 177.171 -0.012 1
1 639 . 1 1 1 A 72 72 VAL CA C 72 67.561 66.737 0.824 1
1 640 . 1 1 1 A 72 72 VAL CB C 72 31.962 31.437 0.525 1
1 643 . 1 1 1 A 72 72 VAL N N 72 128.216 125.658 2.558 1
1 644 . 1 1 1 A 73 73 LEU H H 73 9.223 8.089 1.134 1
1 645 . 1 1 1 A 73 73 LEU HA H 73 3.972 3.875 0.097 1
1 655 . 1 1 1 A 73 73 LEU C C 73 180.513 179.388 1.125 1
1 656 . 1 1 1 A 73 73 LEU CA C 73 58.658 58.084 0.574 1
1 657 . 1 1 1 A 73 73 LEU CB C 73 40.458 40.883 -0.425 1
1 661 . 1 1 1 A 73 73 LEU N N 73 117.712 119.905 -2.193 1
1 662 . 1 1 1 A 74 74 GLU H H 74 7.456 8.081 -0.625 1
1 663 . 1 1 1 A 74 74 GLU HA H 74 4.133 3.975 0.158 1
1 668 . 1 1 1 A 74 74 GLU C C 74 179.695 178.616 1.079 1
1 669 . 1 1 1 A 74 74 GLU CA C 74 59.092 59.534 -0.442 1
1 670 . 1 1 1 A 74 74 GLU CB C 74 29.845 29.320 0.525 1
1 672 . 1 1 1 A 74 74 GLU N N 74 119.823 119.212 0.611 1
1 673 . 1 1 1 A 75 75 TYR H H 75 8.706 8.332 0.374 1
1 674 . 1 1 1 A 75 75 TYR HA H 75 4.047 4.215 -0.168 1
1 681 . 1 1 1 A 75 75 TYR C C 75 179.408 176.746 2.662 1
1 682 . 1 1 1 A 75 75 TYR CA C 75 62.106 61.612 0.494 1
1 683 . 1 1 1 A 75 75 TYR CB C 75 39.275 38.875 0.400 1
1 688 . 1 1 1 A 75 75 TYR N N 75 123.223 122.248 0.975 1
1 689 . 1 1 1 A 76 76 LEU H H 76 8.586 8.687 -0.101 1
1 690 . 1 1 1 A 76 76 LEU HA H 76 4.458 3.910 0.548 1
1 700 . 1 1 1 A 76 76 LEU C C 76 178.328 179.410 -1.082 1
1 701 . 1 1 1 A 76 76 LEU CA C 76 55.395 57.839 -2.444 1
1 702 . 1 1 1 A 76 76 LEU CB C 76 41.315 41.653 -0.338 1
1 706 . 1 1 1 A 76 76 LEU N N 76 113.641 119.004 -5.363 1
1 707 . 1 1 1 A 77 77 GLY H H 77 7.868 7.989 -0.121 1
1 708 . 1 1 1 A 77 77 GLY HA2 H 77 4.541 3.854 0.687 1
1 709 . 1 1 1 A 77 77 GLY HA3 H 77 3.946 3.874 0.072 1
1 710 . 1 1 1 A 77 77 GLY C C 77 172.507 174.625 -2.118 1
1 711 . 1 1 1 A 77 77 GLY CA C 77 45.274 46.547 -1.273 1
1 712 . 1 1 1 A 77 77 GLY N N 77 108.897 106.507 2.390 1
1 713 . 1 1 1 A 78 78 ASN H H 78 7.108 7.668 -0.560 1
1 714 . 1 1 1 A 78 78 ASN HA H 78 5.208 4.803 0.405 1
1 719 . 1 1 1 A 78 78 ASN C C 78 174.475 175.275 -0.800 1
1 720 . 1 1 1 A 78 78 ASN CA C 78 49.514 51.036 -1.522 1
1 721 . 1 1 1 A 78 78 ASN CB C 78 39.531 39.570 -0.039 1
1 722 . 1 1 1 A 78 78 ASN N N 78 119.451 119.603 -0.152 1
1 724 . 1 1 1 A 79 79 PRO HA H 79 3.589 3.521 0.068 1
1 731 . 1 1 1 A 79 79 PRO C C 79 177.877 177.025 0.852 1
1 732 . 1 1 1 A 79 79 PRO CA C 79 64.697 63.663 1.034 1
1 733 . 1 1 1 A 79 79 PRO CB C 79 30.935 31.171 -0.236 1
1 736 . 1 1 1 A 80 80 ALA H H 80 7.842 8.027 -0.185 1
1 737 . 1 1 1 A 80 80 ALA HA H 80 4.197 4.092 0.105 1
1 741 . 1 1 1 A 80 80 ALA C C 80 178.566 177.534 1.032 1
1 742 . 1 1 1 A 80 80 ALA CA C 80 53.801 53.940 -0.139 1
1 743 . 1 1 1 A 80 80 ALA CB C 80 18.366 18.294 0.072 1
1 744 . 1 1 1 A 80 80 ALA N N 80 119.231 119.890 -0.659 1
1 745 . 1 1 1 A 81 81 ASN H H 81 7.714 7.994 -0.280 1
1 746 . 1 1 1 A 81 81 ASN HA H 81 4.662 5.015 -0.353 1
1 751 . 1 1 1 A 81 81 ASN C C 81 172.714 175.552 -2.838 1
1 752 . 1 1 1 A 81 81 ASN CA C 81 52.960 51.867 1.093 1
1 753 . 1 1 1 A 81 81 ASN CB C 81 37.946 39.168 -1.222 1
1 754 . 1 1 1 A 81 81 ASN N N 81 113.680 116.415 -2.735 1
1 756 . 1 1 1 A 82 82 TYR H H 82 7.299 7.747 -0.448 1
1 757 . 1 1 1 A 82 82 TYR HA H 82 4.283 4.592 -0.309 1
1 763 . 1 1 1 A 82 82 TYR C C 82 174.383 176.374 -1.991 1
1 764 . 1 1 1 A 82 82 TYR CA C 82 57.061 60.839 -3.778 1
1 765 . 1 1 1 A 82 82 TYR CB C 82 39.447 37.867 1.580 1
1 770 . 1 1 1 A 82 82 TYR N N 82 118.625 119.978 -1.353 1
1 771 . 1 1 1 A 83 83 PRO HA H 83 4.381 4.790 -0.409 1
1 778 . 1 1 1 A 83 83 PRO CA C 83 62.946 62.877 0.069 1
1 779 . 1 1 1 A 83 83 PRO CB C 83 32.088 31.736 0.352 1
1 782 . 1 1 1 A 84 84 VAL HA H 84 4.956 5.020 -0.064 1
1 790 . 1 1 1 A 84 84 VAL CA C 84 59.200 59.452 -0.252 1
1 791 . 1 1 1 A 84 84 VAL CB C 84 35.235 36.472 -1.237 1
1 794 . 1 1 1 A 85 85 SER H H 85 8.491 8.710 -0.219 1
1 795 . 1 1 1 A 85 85 SER HA H 85 5.655 5.622 0.033 1
1 798 . 1 1 1 A 85 85 SER C C 85 174.729 173.261 1.468 1
1 799 . 1 1 1 A 85 85 SER CA C 85 56.679 57.167 -0.488 1
1 800 . 1 1 1 A 85 85 SER CB C 85 64.021 65.791 -1.770 1
1 801 . 1 1 1 A 85 85 SER N N 85 121.531 117.074 4.457 1
1 802 . 1 1 1 A 86 86 ILE H H 86 9.318 9.376 -0.058 1
1 803 . 1 1 1 A 86 86 ILE HA H 86 4.803 5.145 -0.342 1
1 813 . 1 1 1 A 86 86 ILE C C 86 173.918 175.062 -1.144 1
1 814 . 1 1 1 A 86 86 ILE CA C 86 60.802 59.623 1.179 1
1 815 . 1 1 1 A 86 86 ILE CB C 86 41.352 41.802 -0.450 1
1 819 . 1 1 1 A 86 86 ILE N N 86 126.689 124.008 2.681 1
1 820 . 1 1 1 A 88 88 PHE HA H 88 5.866 5.465 0.401 1
1 826 . 1 1 1 A 88 88 PHE C C 88 175.891 173.779 2.112 1
1 827 . 1 1 1 A 88 88 PHE CA C 88 56.349 55.706 0.643 1
1 828 . 1 1 1 A 88 88 PHE CB C 88 44.020 42.801 1.219 1
1 832 . 1 1 1 A 89 89 GLY H H 89 8.913 8.700 0.213 1
1 833 . 1 1 1 A 89 89 GLY HA2 H 89 4.090 4.132 -0.042 1
1 834 . 1 1 1 A 89 89 GLY HA3 H 89 4.090 4.152 -0.062 1
1 835 . 1 1 1 A 89 89 GLY C C 89 171.617 171.915 -0.298 1
1 836 . 1 1 1 A 89 89 GLY CA C 89 45.684 46.019 -0.335 1
1 837 . 1 1 1 A 89 89 GLY N N 89 105.946 105.663 0.283 1
1 838 . 1 1 1 A 90 90 ARG H H 90 8.880 8.382 0.498 1
1 839 . 1 1 1 A 90 90 ARG HA H 90 4.628 4.306 0.322 1
1 846 . 1 1 1 A 90 90 ARG CA C 90 54.341 54.458 -0.117 1
1 847 . 1 1 1 A 90 90 ARG CB C 90 30.326 29.635 0.691 1
1 850 . 1 1 1 A 90 90 ARG N N 90 123.099 121.194 1.905 1
1 851 . 1 1 1 A 91 91 PRO HA H 91 4.390 4.365 0.025 1
1 858 . 1 1 1 A 91 91 PRO CA C 91 62.994 63.017 -0.023 1
1 859 . 1 1 1 A 91 91 PRO CB C 91 32.136 32.362 -0.226 1
1 862 . 1 1 1 A 92 92 ARG H H 92 8.506 8.924 -0.418 1
1 863 . 1 1 1 A 92 92 ARG HA H 92 4.321 3.997 0.324 1
1 867 . 1 1 1 A 92 92 ARG C C 92 176.279 176.583 -0.304 1
1 868 . 1 1 1 A 92 92 ARG CA C 92 56.320 57.014 -0.694 1
1 869 . 1 1 1 A 92 92 ARG CB C 92 30.937 29.157 1.780 1
1 871 . 1 1 1 A 92 92 ARG N N 92 121.873 121.524 0.349 1
1 872 . 1 1 1 A 93 93 LEU H H 93 8.537 7.661 0.876 1
1 873 . 1 1 1 A 93 93 LEU HA H 93 4.479 3.893 0.586 1
1 876 . 1 1 1 A 93 93 LEU C C 93 177.444 175.781 1.663 1
1 877 . 1 1 1 A 93 93 LEU CA C 93 55.187 57.624 -2.437 1
1 878 . 1 1 1 A 93 93 LEU CB C 93 42.551 42.506 0.045 1
1 879 . 1 1 1 A 93 93 LEU N N 93 124.440 121.670 2.770 1
1 880 . 1 1 1 A 94 94 THR H H 94 8.183 7.698 0.485 1
1 881 . 1 1 1 A 94 94 THR HA H 94 4.444 4.925 -0.481 1
1 886 . 1 1 1 A 94 94 THR C C 94 174.383 174.221 0.162 1
1 887 . 1 1 1 A 94 94 THR CA C 94 61.515 60.933 0.582 1
1 888 . 1 1 1 A 94 94 THR CB C 94 70.080 72.677 -2.597 1
1 890 . 1 1 1 A 94 94 THR N N 94 114.261 110.651 3.610 1
1 891 . 1 1 1 A 95 95 SER H H 95 8.394 8.823 -0.429 1
1 892 . 1 1 1 A 95 95 SER HA H 95 4.502 4.322 0.180 1
1 895 . 1 1 1 A 95 95 SER C C 95 173.465 174.445 -0.980 1
1 896 . 1 1 1 A 95 95 SER CA C 95 58.383 61.188 -2.805 1
1 897 . 1 1 1 A 95 95 SER CB C 95 64.103 63.233 0.870 1
1 898 . 1 1 1 A 95 95 SER N N 95 117.878 117.968 -0.090 1
1 1 . 2 1 1 A 2 2 GLY H H 2 8.575 7.442 1.133 1
1 2 . 2 1 1 A 2 2 GLY HA3 H 2 3.941 4.076 -0.135 1
1 3 . 2 1 1 A 2 2 GLY CA C 2 45.109 44.447 0.662 1
1 4 . 2 1 1 A 2 2 GLY N N 2 110.363 107.809 2.554 1
1 5 . 2 1 1 A 3 3 HIS H H 3 8.398 8.723 -0.325 1
1 7 . 2 1 1 A 3 3 HIS CA C 3 55.958 58.537 -2.579 1
1 8 . 2 1 1 A 3 3 HIS CB C 3 29.588 29.410 0.178 1
1 9 . 2 1 1 A 3 3 HIS N N 3 118.248 118.435 -0.187 1
1 10 . 2 1 1 A 6 6 HIS HA H 6 4.637 5.048 -0.411 1
1 12 . 2 1 1 A 6 6 HIS CA C 6 55.805 54.643 1.162 1
1 13 . 2 1 1 A 6 6 HIS CB C 6 29.866 34.096 -4.230 1
1 14 . 2 1 1 A 7 7 HIS H H 7 8.775 8.637 0.138 1
1 15 . 2 1 1 A 7 7 HIS HA H 7 4.639 5.015 -0.376 1
1 18 . 2 1 1 A 7 7 HIS CA C 7 55.959 53.972 1.987 1
1 19 . 2 1 1 A 7 7 HIS CB C 7 29.834 32.188 -2.354 1
1 20 . 2 1 1 A 7 7 HIS N N 7 120.965 117.072 3.893 1
1 21 . 2 1 1 A 8 8 HIS H H 8 8.591 8.281 0.310 1
1 22 . 2 1 1 A 8 8 HIS HA H 8 4.447 4.614 -0.167 1
1 25 . 2 1 1 A 8 8 HIS CA C 8 56.009 55.985 0.024 1
1 26 . 2 1 1 A 8 8 HIS CB C 8 32.890 30.442 2.448 1
1 27 . 2 1 1 A 8 8 HIS N N 8 122.251 117.832 4.419 1
1 28 . 2 1 1 A 9 9 LEU H H 9 8.430 9.302 -0.872 1
1 29 . 2 1 1 A 9 9 LEU HA H 9 4.359 4.448 -0.089 1
1 39 . 2 1 1 A 9 9 LEU C C 9 177.241 175.002 2.239 1
1 40 . 2 1 1 A 9 9 LEU CA C 9 55.395 54.193 1.202 1
1 41 . 2 1 1 A 9 9 LEU CB C 9 42.317 39.992 2.325 1
1 45 . 2 1 1 A 9 9 LEU N N 9 123.074 124.413 -1.339 1
1 46 . 2 1 1 A 10 10 ASP H H 10 8.358 8.965 -0.607 1
1 47 . 2 1 1 A 10 10 ASP HA H 10 4.606 4.728 -0.122 1
1 50 . 2 1 1 A 10 10 ASP C C 10 176.490 174.635 1.855 1
1 51 . 2 1 1 A 10 10 ASP CA C 10 54.541 53.246 1.295 1
1 52 . 2 1 1 A 10 10 ASP CB C 10 41.244 39.236 2.008 1
1 53 . 2 1 1 A 10 10 ASP N N 10 121.299 125.421 -4.122 1
1 54 . 2 1 1 A 11 11 SER H H 11 8.212 8.188 0.024 1
1 55 . 2 1 1 A 11 11 SER HA H 11 4.367 4.655 -0.288 1
1 58 . 2 1 1 A 11 11 SER C C 11 174.210 174.140 0.070 1
1 59 . 2 1 1 A 11 11 SER CA C 11 58.750 56.973 1.777 1
1 60 . 2 1 1 A 11 11 SER CB C 11 63.743 65.479 -1.736 1
1 61 . 2 1 1 A 11 11 SER N N 11 115.863 114.217 1.646 1
1 62 . 2 1 1 A 12 12 TYR H H 12 8.207 8.365 -0.158 1
1 63 . 2 1 1 A 12 12 TYR HA H 12 4.562 4.567 -0.005 1
1 70 . 2 1 1 A 12 12 TYR C C 12 175.105 176.002 -0.897 1
1 71 . 2 1 1 A 12 12 TYR CA C 12 57.994 58.121 -0.127 1
1 72 . 2 1 1 A 12 12 TYR CB C 12 38.821 38.484 0.337 1
1 77 . 2 1 1 A 12 12 TYR N N 12 121.901 119.502 2.399 1
1 78 . 2 1 1 A 13 13 ALA H H 13 8.033 7.152 0.881 1
1 79 . 2 1 1 A 13 13 ALA HA H 13 4.552 4.301 0.251 1
1 83 . 2 1 1 A 13 13 ALA C C 13 174.997 177.670 -2.673 1
1 84 . 2 1 1 A 13 13 ALA CA C 13 50.585 50.603 -0.018 1
1 85 . 2 1 1 A 13 13 ALA CB C 13 18.488 18.225 0.263 1
1 86 . 2 1 1 A 13 13 ALA N N 13 126.839 124.710 2.129 1
1 87 . 2 1 1 A 14 14 PRO HA H 14 4.390 4.421 -0.031 1
1 94 . 2 1 1 A 14 14 PRO C C 14 176.894 177.030 -0.136 1
1 95 . 2 1 1 A 14 14 PRO CA C 14 63.199 64.106 -0.907 1
1 96 . 2 1 1 A 14 14 PRO CB C 14 32.210 31.656 0.554 1
1 99 . 2 1 1 A 15 15 ARG H H 15 8.492 8.760 -0.268 1
1 100 . 2 1 1 A 15 15 ARG HA H 15 4.357 4.087 0.270 1
1 104 . 2 1 1 A 15 15 ARG C C 15 176.040 177.070 -1.030 1
1 105 . 2 1 1 A 15 15 ARG CA C 15 56.029 58.249 -2.220 1
1 106 . 2 1 1 A 15 15 ARG CB C 15 31.097 29.080 2.017 1
1 108 . 2 1 1 A 15 15 ARG N N 15 121.148 116.992 4.156 1
1 109 . 2 1 1 A 16 16 ALA H H 16 8.511 7.545 0.966 1
1 110 . 2 1 1 A 16 16 ALA HA H 16 4.352 4.171 0.181 1
1 114 . 2 1 1 A 16 16 ALA C C 16 177.569 176.859 0.710 1
1 115 . 2 1 1 A 16 16 ALA CA C 16 52.771 53.785 -1.014 1
1 116 . 2 1 1 A 16 16 ALA CB C 16 19.291 18.512 0.779 1
1 117 . 2 1 1 A 16 16 ALA N N 16 125.410 121.784 3.626 1
1 118 . 2 1 1 A 17 17 GLU H H 17 8.513 7.828 0.685 1
1 119 . 2 1 1 A 17 17 GLU HA H 17 4.681 4.754 -0.073 1
1 124 . 2 1 1 A 17 17 GLU C C 17 176.040 174.531 1.509 1
1 125 . 2 1 1 A 17 17 GLU CA C 17 56.240 54.628 1.612 1
1 126 . 2 1 1 A 17 17 GLU CB C 17 31.430 34.382 -2.952 1
1 128 . 2 1 1 A 17 17 GLU N N 17 120.135 116.503 3.632 1
1 129 . 2 1 1 A 20 20 LYS HA H 20 4.642 4.578 0.064 1
1 132 . 2 1 1 A 20 20 LYS C C 20 174.395 174.326 0.069 1
1 133 . 2 1 1 A 20 20 LYS CA C 20 55.041 55.406 -0.365 1
1 134 . 2 1 1 A 20 20 LYS CB C 20 36.603 36.141 0.462 1
1 135 . 2 1 1 A 21 21 THR H H 21 8.278 8.294 -0.016 1
1 136 . 2 1 1 A 21 21 THR HA H 21 5.185 4.786 0.399 1
1 141 . 2 1 1 A 21 21 THR C C 21 174.123 173.971 0.152 1
1 142 . 2 1 1 A 21 21 THR CA C 21 62.206 61.588 0.618 1
1 143 . 2 1 1 A 21 21 THR CB C 21 69.740 70.039 -0.299 1
1 145 . 2 1 1 A 21 21 THR N N 21 118.285 115.455 2.830 1
1 146 . 2 1 1 A 22 22 PHE H H 22 9.552 9.323 0.229 1
1 147 . 2 1 1 A 22 22 PHE HA H 22 4.934 5.121 -0.187 1
1 155 . 2 1 1 A 22 22 PHE CA C 22 57.809 55.782 2.027 1
1 156 . 2 1 1 A 22 22 PHE CB C 22 43.018 44.248 -1.230 1
1 162 . 2 1 1 A 22 22 PHE N N 22 125.884 120.644 5.240 1
1 163 . 2 1 1 A 23 23 SER H H 23 8.489 8.745 -0.256 1
1 164 . 2 1 1 A 23 23 SER HA H 23 4.874 5.136 -0.262 1
1 167 . 2 1 1 A 23 23 SER CA C 23 57.308 57.269 0.039 1
1 168 . 2 1 1 A 23 23 SER CB C 23 65.134 67.446 -2.312 1
1 169 . 2 1 1 A 23 23 SER N N 23 116.064 115.552 0.512 1
1 170 . 2 1 1 A 24 24 TYR H H 24 8.561 8.305 0.256 1
1 171 . 2 1 1 A 24 24 TYR HA H 24 3.787 4.661 -0.874 1
1 178 . 2 1 1 A 24 24 TYR CA C 24 55.942 55.584 0.358 1
1 179 . 2 1 1 A 24 24 TYR CB C 24 39.190 40.241 -1.051 1
1 184 . 2 1 1 A 24 24 TYR N N 24 120.614 118.914 1.700 1
1 185 . 2 1 1 A 25 25 PRO HA H 25 3.195 4.396 -1.201 1
1 192 . 2 1 1 A 25 25 PRO CA C 25 61.641 65.589 -3.948 1
1 193 . 2 1 1 A 25 25 PRO CB C 25 33.950 31.998 1.952 1
1 196 . 2 1 1 A 29 29 LEU HA H 29 4.651 4.978 -0.327 1
1 199 . 2 1 1 A 29 29 LEU C C 29 175.676 174.233 1.443 1
1 200 . 2 1 1 A 29 29 LEU CA C 29 54.443 54.732 -0.289 1
1 201 . 2 1 1 A 29 29 LEU CB C 29 43.096 46.158 -3.062 1
1 204 . 2 1 1 A 30 30 LEU H H 30 8.665 8.910 -0.245 1
1 205 . 2 1 1 A 30 30 LEU HA H 30 5.369 5.211 0.158 1
1 212 . 2 1 1 A 30 30 LEU C C 30 176.370 174.902 1.468 1
1 213 . 2 1 1 A 30 30 LEU CA C 30 53.005 53.577 -0.572 1
1 214 . 2 1 1 A 30 30 LEU CB C 30 43.867 45.912 -2.045 1
1 217 . 2 1 1 A 30 30 LEU N N 30 126.293 128.098 -1.805 1
1 218 . 2 1 1 A 31 31 LYS H H 31 9.288 8.905 0.383 1
1 219 . 2 1 1 A 31 31 LYS HA H 31 4.664 4.967 -0.303 1
1 228 . 2 1 1 A 31 31 LYS C C 31 173.995 174.490 -0.495 1
1 229 . 2 1 1 A 31 31 LYS CA C 31 54.758 54.359 0.399 1
1 230 . 2 1 1 A 31 31 LYS CB C 31 37.173 36.251 0.922 1
1 234 . 2 1 1 A 31 31 LYS N N 31 119.484 119.472 0.012 1
1 235 . 2 1 1 A 32 32 LEU H H 32 8.724 8.682 0.042 1
1 236 . 2 1 1 A 32 32 LEU HA H 32 4.972 4.927 0.045 1
1 246 . 2 1 1 A 32 32 LEU C C 32 177.274 175.385 1.889 1
1 247 . 2 1 1 A 32 32 LEU CA C 32 54.494 53.698 0.796 1
1 248 . 2 1 1 A 32 32 LEU CB C 32 43.119 43.916 -0.797 1
1 252 . 2 1 1 A 32 32 LEU N N 32 124.082 123.503 0.579 1
1 253 . 2 1 1 A 33 33 HIS H H 33 9.361 9.200 0.161 1
1 254 . 2 1 1 A 33 33 HIS HA H 33 4.698 4.820 -0.122 1
1 257 . 2 1 1 A 33 33 HIS C C 33 174.092 173.927 0.165 1
1 258 . 2 1 1 A 33 33 HIS CA C 33 56.497 55.795 0.702 1
1 259 . 2 1 1 A 33 33 HIS CB C 33 32.274 33.738 -1.464 1
1 260 . 2 1 1 A 33 33 HIS N N 33 125.743 125.221 0.522 1
1 261 . 2 1 1 A 34 34 ASP H H 34 9.134 8.999 0.135 1
1 262 . 2 1 1 A 34 34 ASP HA H 34 4.146 3.976 0.170 1
1 265 . 2 1 1 A 34 34 ASP C C 34 174.644 174.999 -0.355 1
1 266 . 2 1 1 A 34 34 ASP CA C 34 55.976 54.908 1.068 1
1 267 . 2 1 1 A 34 34 ASP CB C 34 39.179 39.396 -0.217 1
1 268 . 2 1 1 A 34 34 ASP N N 34 128.890 126.497 2.393 1
1 269 . 2 1 1 A 35 35 GLU H H 35 8.648 8.491 0.157 1
1 270 . 2 1 1 A 35 35 GLU HA H 35 3.681 3.837 -0.156 1
1 275 . 2 1 1 A 35 35 GLU C C 35 174.234 175.095 -0.861 1
1 276 . 2 1 1 A 35 35 GLU CA C 35 57.346 58.027 -0.681 1
1 277 . 2 1 1 A 35 35 GLU CB C 35 27.735 27.818 -0.083 1
1 279 . 2 1 1 A 35 35 GLU N N 35 109.734 110.573 -0.839 1
1 280 . 2 1 1 A 36 36 ARG H H 36 7.710 7.724 -0.014 1
1 281 . 2 1 1 A 36 36 ARG HA H 36 4.515 5.026 -0.511 1
1 285 . 2 1 1 A 36 36 ARG C C 36 174.063 174.765 -0.702 1
1 286 . 2 1 1 A 36 36 ARG CA C 36 54.212 54.239 -0.027 1
1 287 . 2 1 1 A 36 36 ARG CB C 36 33.371 32.870 0.501 1
1 289 . 2 1 1 A 36 36 ARG N N 36 116.091 119.144 -3.053 1
1 290 . 2 1 1 A 37 37 VAL H H 37 8.803 8.603 0.200 1
1 291 . 2 1 1 A 37 37 VAL HA H 37 4.375 4.473 -0.098 1
1 299 . 2 1 1 A 37 37 VAL C C 37 174.388 174.591 -0.203 1
1 300 . 2 1 1 A 37 37 VAL CA C 37 62.620 62.536 0.084 1
1 301 . 2 1 1 A 37 37 VAL CB C 37 31.484 32.429 -0.945 1
1 304 . 2 1 1 A 37 37 VAL N N 37 122.430 123.778 -1.348 1
1 305 . 2 1 1 A 38 38 LEU H H 38 8.966 8.936 0.030 1
1 306 . 2 1 1 A 38 38 LEU HA H 38 5.495 5.206 0.289 1
1 316 . 2 1 1 A 38 38 LEU C C 38 177.365 176.098 1.267 1
1 317 . 2 1 1 A 38 38 LEU CA C 38 52.624 53.400 -0.776 1
1 318 . 2 1 1 A 38 38 LEU CB C 38 46.189 45.441 0.748 1
1 322 . 2 1 1 A 38 38 LEU N N 38 125.739 129.099 -3.360 1
1 323 . 2 1 1 A 39 39 VAL H H 39 8.899 9.063 -0.164 1
1 324 . 2 1 1 A 39 39 VAL HA H 39 4.006 3.904 0.102 1
1 332 . 2 1 1 A 39 39 VAL C C 39 176.380 176.064 0.316 1
1 333 . 2 1 1 A 39 39 VAL CA C 39 63.763 63.389 0.374 1
1 334 . 2 1 1 A 39 39 VAL CB C 39 31.629 31.971 -0.342 1
1 337 . 2 1 1 A 39 39 VAL N N 39 119.125 122.836 -3.711 1
1 338 . 2 1 1 A 40 40 ALA H H 40 9.755 8.840 0.915 1
1 339 . 2 1 1 A 40 40 ALA HA H 40 4.533 4.235 0.298 1
1 343 . 2 1 1 A 40 40 ALA C C 40 176.636 176.772 -0.136 1
1 344 . 2 1 1 A 40 40 ALA CA C 40 52.536 52.672 -0.136 1
1 345 . 2 1 1 A 40 40 ALA CB C 40 20.860 21.152 -0.292 1
1 346 . 2 1 1 A 40 40 ALA N N 40 133.618 127.824 5.794 1
1 347 . 2 1 1 A 41 41 PHE H H 41 7.761 7.794 -0.033 1
1 348 . 2 1 1 A 41 41 PHE HA H 41 4.299 4.929 -0.630 1
1 353 . 2 1 1 A 41 41 PHE C C 41 172.990 175.788 -2.798 1
1 354 . 2 1 1 A 41 41 PHE CA C 41 59.306 56.033 3.273 1
1 355 . 2 1 1 A 41 41 PHE CB C 41 42.621 42.626 -0.005 1
1 358 . 2 1 1 A 41 41 PHE N N 41 117.497 113.154 4.343 1
1 359 . 2 1 1 A 42 42 GLY H H 42 7.709 8.589 -0.880 1
1 360 . 2 1 1 A 42 42 GLY HA2 H 42 4.190 3.808 0.382 1
1 361 . 2 1 1 A 42 42 GLY HA3 H 42 3.327 3.961 -0.634 1
1 362 . 2 1 1 A 42 42 GLY C C 42 171.542 174.533 -2.991 1
1 363 . 2 1 1 A 42 42 GLY CA C 42 44.310 45.365 -1.055 1
1 364 . 2 1 1 A 42 42 GLY N N 42 114.790 111.031 3.759 1
1 365 . 2 1 1 A 43 43 GLN HA H 43 4.366 4.690 -0.324 1
1 372 . 2 1 1 A 43 43 GLN CA C 43 55.207 54.647 0.560 1
1 373 . 2 1 1 A 43 43 GLN CB C 43 30.347 29.663 0.684 1
1 376 . 2 1 1 A 49 49 VAL HA H 49 3.386 3.984 -0.598 1
1 384 . 2 1 1 A 49 49 VAL C C 49 177.680 176.240 1.440 1
1 385 . 2 1 1 A 49 49 VAL CA C 49 64.730 62.452 2.278 1
1 386 . 2 1 1 A 49 49 VAL CB C 49 31.489 32.720 -1.231 1
1 389 . 2 1 1 A 50 50 GLY H H 50 9.040 8.873 0.167 1
1 390 . 2 1 1 A 50 50 GLY HA2 H 50 4.505 3.819 0.686 1
1 391 . 2 1 1 A 50 50 GLY HA3 H 50 3.562 3.836 -0.274 1
1 392 . 2 1 1 A 50 50 GLY C C 50 175.034 174.494 0.540 1
1 393 . 2 1 1 A 50 50 GLY CA C 50 44.901 45.161 -0.260 1
1 394 . 2 1 1 A 50 50 GLY N N 50 115.994 112.722 3.272 1
1 395 . 2 1 1 A 51 51 HIS H H 51 8.228 7.924 0.304 1
1 396 . 2 1 1 A 51 51 HIS HA H 51 4.614 4.518 0.096 1
1 400 . 2 1 1 A 51 51 HIS C C 51 174.681 175.239 -0.558 1
1 401 . 2 1 1 A 51 51 HIS CA C 51 57.434 56.414 1.020 1
1 402 . 2 1 1 A 51 51 HIS CB C 51 32.934 30.865 2.069 1
1 404 . 2 1 1 A 51 51 HIS N N 51 120.280 118.894 1.386 1
1 405 . 2 1 1 A 52 52 ALA H H 52 9.229 8.640 0.589 1
1 406 . 2 1 1 A 52 52 ALA HA H 52 5.587 4.579 1.008 1
1 410 . 2 1 1 A 52 52 ALA C C 52 177.988 177.863 0.125 1
1 411 . 2 1 1 A 52 52 ALA CA C 52 50.053 51.488 -1.435 1
1 412 . 2 1 1 A 52 52 ALA CB C 52 22.023 19.820 2.203 1
1 413 . 2 1 1 A 52 52 ALA N N 52 121.598 124.293 -2.695 1
1 414 . 2 1 1 A 53 53 VAL HA H 53 3.473 4.216 -0.743 1
1 422 . 2 1 1 A 53 53 VAL C C 53 175.227 175.803 -0.576 1
1 423 . 2 1 1 A 53 53 VAL CA C 53 63.914 63.288 0.626 1
1 424 . 2 1 1 A 53 53 VAL CB C 53 32.339 32.375 -0.036 1
1 427 . 2 1 1 A 54 54 LEU H H 54 9.067 9.513 -0.446 1
1 428 . 2 1 1 A 54 54 LEU HA H 54 4.599 4.544 0.055 1
1 434 . 2 1 1 A 54 54 LEU C C 54 178.208 176.643 1.565 1
1 435 . 2 1 1 A 54 54 LEU CA C 54 55.084 55.809 -0.725 1
1 436 . 2 1 1 A 54 54 LEU CB C 54 43.490 43.667 -0.177 1
1 439 . 2 1 1 A 54 54 LEU N N 54 126.184 127.188 -1.004 1
1 440 . 2 1 1 A 55 55 ALA H H 55 7.665 7.596 0.069 1
1 441 . 2 1 1 A 55 55 ALA HA H 55 4.889 4.901 -0.012 1
1 445 . 2 1 1 A 55 55 ALA C C 55 175.085 175.242 -0.157 1
1 446 . 2 1 1 A 55 55 ALA CA C 55 52.600 51.644 0.956 1
1 447 . 2 1 1 A 55 55 ALA CB C 55 21.847 22.779 -0.932 1
1 448 . 2 1 1 A 55 55 ALA N N 55 119.807 116.726 3.081 1
1 449 . 2 1 1 A 56 56 ILE H H 56 8.209 8.872 -0.663 1
1 450 . 2 1 1 A 56 56 ILE HA H 56 4.643 4.805 -0.162 1
1 460 . 2 1 1 A 56 56 ILE C C 56 176.001 175.976 0.025 1
1 461 . 2 1 1 A 56 56 ILE CA C 56 59.817 60.036 -0.219 1
1 462 . 2 1 1 A 56 56 ILE CB C 56 41.035 40.726 0.309 1
1 466 . 2 1 1 A 56 56 ILE N N 56 119.114 118.725 0.389 1
1 467 . 2 1 1 A 57 57 ASN H H 57 10.090 9.900 0.190 1
1 468 . 2 1 1 A 57 57 ASN HA H 57 4.523 4.544 -0.021 1
1 473 . 2 1 1 A 57 57 ASN C C 57 175.371 175.319 0.052 1
1 474 . 2 1 1 A 57 57 ASN CA C 57 54.161 54.617 -0.456 1
1 475 . 2 1 1 A 57 57 ASN CB C 57 36.953 37.154 -0.201 1
1 476 . 2 1 1 A 57 57 ASN N N 57 128.487 127.215 1.272 1
1 478 . 2 1 1 A 58 58 GLY H H 58 9.200 8.557 0.643 1
1 479 . 2 1 1 A 58 58 GLY HA2 H 58 4.080 3.869 0.211 1
1 480 . 2 1 1 A 58 58 GLY HA3 H 58 3.513 3.871 -0.358 1
1 481 . 2 1 1 A 58 58 GLY C C 58 174.149 173.896 0.253 1
1 482 . 2 1 1 A 58 58 GLY CA C 58 45.464 45.427 0.037 1
1 483 . 2 1 1 A 58 58 GLY N N 58 103.720 104.696 -0.976 1
1 484 . 2 1 1 A 59 59 MET H H 59 7.852 8.148 -0.296 1
1 485 . 2 1 1 A 59 59 MET HA H 59 4.801 4.383 0.418 1
1 490 . 2 1 1 A 59 59 MET C C 59 175.661 175.224 0.437 1
1 491 . 2 1 1 A 59 59 MET CA C 59 53.528 54.858 -1.330 1
1 492 . 2 1 1 A 59 59 MET CB C 59 33.623 32.028 1.595 1
1 494 . 2 1 1 A 59 59 MET N N 59 120.479 120.898 -0.419 1
1 495 . 2 1 1 A 60 60 ASP H H 60 8.931 8.728 0.203 1
1 496 . 2 1 1 A 60 60 ASP HA H 60 4.696 4.700 -0.004 1
1 499 . 2 1 1 A 60 60 ASP C C 60 176.608 175.866 0.742 1
1 500 . 2 1 1 A 60 60 ASP CA C 60 55.789 54.615 1.174 1
1 501 . 2 1 1 A 60 60 ASP CB C 60 40.793 41.470 -0.677 1
1 502 . 2 1 1 A 60 60 ASP N N 60 127.746 125.768 1.978 1
1 503 . 2 1 1 A 61 61 VAL H H 61 7.734 8.991 -1.257 1
1 504 . 2 1 1 A 61 61 VAL HA H 61 4.216 5.075 -0.859 1
1 512 . 2 1 1 A 61 61 VAL C C 61 174.993 174.110 0.883 1
1 513 . 2 1 1 A 61 61 VAL CA C 61 60.816 59.564 1.252 1
1 514 . 2 1 1 A 61 61 VAL CB C 61 32.006 34.187 -2.181 1
1 517 . 2 1 1 A 61 61 VAL N N 61 117.791 119.668 -1.877 1
1 518 . 2 1 1 A 62 62 ASN H H 62 9.011 9.120 -0.109 1
1 519 . 2 1 1 A 62 62 ASN HA H 62 5.044 5.060 -0.016 1
1 524 . 2 1 1 A 62 62 ASN C C 62 175.375 175.633 -0.258 1
1 525 . 2 1 1 A 62 62 ASN CA C 62 51.604 51.706 -0.102 1
1 526 . 2 1 1 A 62 62 ASN CB C 62 39.209 39.681 -0.472 1
1 527 . 2 1 1 A 62 62 ASN N N 62 124.361 124.218 0.143 1
1 529 . 2 1 1 A 63 63 GLY H H 63 8.699 8.954 -0.255 1
1 530 . 2 1 1 A 63 63 GLY HA2 H 63 4.267 3.848 0.419 1
1 531 . 2 1 1 A 63 63 GLY HA3 H 63 3.760 3.871 -0.111 1
1 532 . 2 1 1 A 63 63 GLY C C 63 173.666 174.357 -0.691 1
1 533 . 2 1 1 A 63 63 GLY CA C 63 47.919 47.333 0.586 1
1 534 . 2 1 1 A 63 63 GLY N N 63 113.974 115.952 -1.978 1
1 535 . 2 1 1 A 64 64 ARG H H 64 8.595 7.952 0.643 1
1 536 . 2 1 1 A 64 64 ARG HA H 64 4.144 4.421 -0.277 1
1 544 . 2 1 1 A 64 64 ARG C C 64 175.001 174.846 0.155 1
1 545 . 2 1 1 A 64 64 ARG CA C 64 55.449 55.141 0.308 1
1 546 . 2 1 1 A 64 64 ARG CB C 64 31.649 30.882 0.767 1
1 549 . 2 1 1 A 64 64 ARG N N 64 124.516 121.658 2.858 1
1 551 . 2 1 1 A 65 65 TYR H H 65 7.959 7.460 0.499 1
1 552 . 2 1 1 A 65 65 TYR HA H 65 5.515 5.453 0.062 1
1 559 . 2 1 1 A 65 65 TYR C C 65 176.353 175.926 0.427 1
1 560 . 2 1 1 A 65 65 TYR CA C 65 57.143 56.628 0.515 1
1 561 . 2 1 1 A 65 65 TYR CB C 65 42.338 42.152 0.186 1
1 566 . 2 1 1 A 65 65 TYR N N 65 119.872 119.743 0.129 1
1 567 . 2 1 1 A 66 66 THR H H 66 9.651 8.869 0.782 1
1 568 . 2 1 1 A 66 66 THR HA H 66 4.418 4.491 -0.073 1
1 573 . 2 1 1 A 66 66 THR C C 66 177.773 176.036 1.737 1
1 574 . 2 1 1 A 66 66 THR CA C 66 61.270 61.216 0.054 1
1 575 . 2 1 1 A 66 66 THR CB C 66 71.305 70.691 0.614 1
1 577 . 2 1 1 A 66 66 THR N N 66 111.062 115.456 -4.394 1
1 578 . 2 1 1 A 67 67 ALA H H 67 9.388 8.879 0.509 1
1 579 . 2 1 1 A 67 67 ALA HA H 67 4.109 4.005 0.104 1
1 583 . 2 1 1 A 67 67 ALA C C 67 177.993 179.449 -1.456 1
1 584 . 2 1 1 A 67 67 ALA CA C 67 55.247 55.351 -0.104 1
1 585 . 2 1 1 A 67 67 ALA CB C 67 18.955 18.286 0.669 1
1 586 . 2 1 1 A 67 67 ALA N N 67 125.051 124.170 0.881 1
1 587 . 2 1 1 A 68 68 ASP H H 68 7.980 7.884 0.096 1
1 588 . 2 1 1 A 68 68 ASP HA H 68 4.674 4.590 0.084 1
1 591 . 2 1 1 A 68 68 ASP C C 68 176.691 176.135 0.556 1
1 592 . 2 1 1 A 68 68 ASP CA C 68 52.824 54.727 -1.903 1
1 593 . 2 1 1 A 68 68 ASP CB C 68 39.776 41.255 -1.479 1
1 594 . 2 1 1 A 68 68 ASP N N 68 111.027 116.787 -5.760 1
1 595 . 2 1 1 A 69 69 GLY H H 69 8.052 7.753 0.299 1
1 596 . 2 1 1 A 69 69 GLY HA2 H 69 4.154 4.052 0.102 1
1 597 . 2 1 1 A 69 69 GLY HA3 H 69 3.569 4.090 -0.521 1
1 598 . 2 1 1 A 69 69 GLY C C 69 174.525 174.539 -0.014 1
1 599 . 2 1 1 A 69 69 GLY CA C 69 46.273 44.885 1.388 1
1 600 . 2 1 1 A 69 69 GLY N N 69 107.666 107.493 0.173 1
1 601 . 2 1 1 A 70 70 LYS H H 70 7.816 7.653 0.163 1
1 602 . 2 1 1 A 70 70 LYS HA H 70 4.639 4.324 0.315 1
1 611 . 2 1 1 A 70 70 LYS C C 70 176.713 176.604 0.109 1
1 612 . 2 1 1 A 70 70 LYS CA C 70 54.753 56.530 -1.777 1
1 613 . 2 1 1 A 70 70 LYS CB C 70 32.589 33.225 -0.636 1
1 617 . 2 1 1 A 70 70 LYS N N 70 120.047 120.493 -0.446 1
1 618 . 2 1 1 A 71 71 GLU H H 71 9.375 8.639 0.736 1
1 619 . 2 1 1 A 71 71 GLU HA H 71 4.366 4.515 -0.149 1
1 624 . 2 1 1 A 71 71 GLU C C 71 177.910 177.657 0.253 1
1 625 . 2 1 1 A 71 71 GLU CA C 71 58.297 57.033 1.264 1
1 626 . 2 1 1 A 71 71 GLU CB C 71 29.572 31.425 -1.853 1
1 628 . 2 1 1 A 71 71 GLU N N 71 124.416 125.262 -0.846 1
1 629 . 2 1 1 A 72 72 VAL H H 72 9.028 8.767 0.261 1
1 630 . 2 1 1 A 72 72 VAL HA H 72 3.258 3.792 -0.534 1
1 638 . 2 1 1 A 72 72 VAL C C 72 177.159 177.349 -0.190 1
1 639 . 2 1 1 A 72 72 VAL CA C 72 67.561 65.624 1.937 1
1 640 . 2 1 1 A 72 72 VAL CB C 72 31.962 31.669 0.293 1
1 643 . 2 1 1 A 72 72 VAL N N 72 128.216 125.037 3.179 1
1 644 . 2 1 1 A 73 73 LEU H H 73 9.223 8.405 0.818 1
1 645 . 2 1 1 A 73 73 LEU HA H 73 3.972 3.989 -0.017 1
1 655 . 2 1 1 A 73 73 LEU C C 73 180.513 179.316 1.197 1
1 656 . 2 1 1 A 73 73 LEU CA C 73 58.658 58.079 0.579 1
1 657 . 2 1 1 A 73 73 LEU CB C 73 40.458 40.687 -0.229 1
1 661 . 2 1 1 A 73 73 LEU N N 73 117.712 122.306 -4.594 1
1 662 . 2 1 1 A 74 74 GLU H H 74 7.456 8.615 -1.159 1
1 663 . 2 1 1 A 74 74 GLU HA H 74 4.133 3.935 0.198 1
1 668 . 2 1 1 A 74 74 GLU C C 74 179.695 178.502 1.193 1
1 669 . 2 1 1 A 74 74 GLU CA C 74 59.092 59.640 -0.548 1
1 670 . 2 1 1 A 74 74 GLU CB C 74 29.845 29.511 0.334 1
1 672 . 2 1 1 A 74 74 GLU N N 74 119.823 120.124 -0.301 1
1 673 . 2 1 1 A 75 75 TYR H H 75 8.706 8.410 0.296 1
1 674 . 2 1 1 A 75 75 TYR HA H 75 4.047 4.166 -0.119 1
1 681 . 2 1 1 A 75 75 TYR C C 75 179.408 176.769 2.639 1
1 682 . 2 1 1 A 75 75 TYR CA C 75 62.106 61.686 0.420 1
1 683 . 2 1 1 A 75 75 TYR CB C 75 39.275 38.873 0.402 1
1 688 . 2 1 1 A 75 75 TYR N N 75 123.223 120.679 2.544 1
1 689 . 2 1 1 A 76 76 LEU H H 76 8.586 8.653 -0.067 1
1 690 . 2 1 1 A 76 76 LEU HA H 76 4.458 3.902 0.556 1
1 700 . 2 1 1 A 76 76 LEU C C 76 178.328 179.458 -1.130 1
1 701 . 2 1 1 A 76 76 LEU CA C 76 55.395 57.946 -2.551 1
1 702 . 2 1 1 A 76 76 LEU CB C 76 41.315 41.888 -0.573 1
1 706 . 2 1 1 A 76 76 LEU N N 76 113.641 119.294 -5.653 1
1 707 . 2 1 1 A 77 77 GLY H H 77 7.868 8.158 -0.290 1
1 708 . 2 1 1 A 77 77 GLY HA2 H 77 4.541 3.750 0.791 1
1 709 . 2 1 1 A 77 77 GLY HA3 H 77 3.946 3.837 0.109 1
1 710 . 2 1 1 A 77 77 GLY C C 77 172.507 174.574 -2.067 1
1 711 . 2 1 1 A 77 77 GLY CA C 77 45.274 46.499 -1.225 1
1 712 . 2 1 1 A 77 77 GLY N N 77 108.897 106.450 2.447 1
1 713 . 2 1 1 A 78 78 ASN H H 78 7.108 7.492 -0.384 1
1 714 . 2 1 1 A 78 78 ASN HA H 78 5.208 4.758 0.450 1
1 719 . 2 1 1 A 78 78 ASN C C 78 174.475 175.392 -0.917 1
1 720 . 2 1 1 A 78 78 ASN CA C 78 49.514 51.081 -1.567 1
1 721 . 2 1 1 A 78 78 ASN CB C 78 39.531 39.557 -0.026 1
1 722 . 2 1 1 A 78 78 ASN N N 78 119.451 119.773 -0.322 1
1 724 . 2 1 1 A 79 79 PRO HA H 79 3.589 3.839 -0.250 1
1 731 . 2 1 1 A 79 79 PRO C C 79 177.877 176.981 0.896 1
1 732 . 2 1 1 A 79 79 PRO CA C 79 64.697 63.748 0.949 1
1 733 . 2 1 1 A 79 79 PRO CB C 79 30.935 31.311 -0.376 1
1 736 . 2 1 1 A 80 80 ALA H H 80 7.842 8.118 -0.276 1
1 737 . 2 1 1 A 80 80 ALA HA H 80 4.197 4.109 0.088 1
1 741 . 2 1 1 A 80 80 ALA C C 80 178.566 177.566 1.000 1
1 742 . 2 1 1 A 80 80 ALA CA C 80 53.801 53.960 -0.159 1
1 743 . 2 1 1 A 80 80 ALA CB C 80 18.366 18.309 0.057 1
1 744 . 2 1 1 A 80 80 ALA N N 80 119.231 119.861 -0.630 1
1 745 . 2 1 1 A 81 81 ASN H H 81 7.714 8.030 -0.316 1
1 746 . 2 1 1 A 81 81 ASN HA H 81 4.662 5.038 -0.376 1
1 751 . 2 1 1 A 81 81 ASN C C 81 172.714 175.578 -2.864 1
1 752 . 2 1 1 A 81 81 ASN CA C 81 52.960 51.875 1.085 1
1 753 . 2 1 1 A 81 81 ASN CB C 81 37.946 39.287 -1.341 1
1 754 . 2 1 1 A 81 81 ASN N N 81 113.680 116.555 -2.875 1
1 756 . 2 1 1 A 82 82 TYR H H 82 7.299 7.657 -0.358 1
1 757 . 2 1 1 A 82 82 TYR HA H 82 4.283 4.597 -0.314 1
1 763 . 2 1 1 A 82 82 TYR C C 82 174.383 176.429 -2.046 1
1 764 . 2 1 1 A 82 82 TYR CA C 82 57.061 61.103 -4.042 1
1 765 . 2 1 1 A 82 82 TYR CB C 82 39.447 37.644 1.803 1
1 770 . 2 1 1 A 82 82 TYR N N 82 118.625 121.091 -2.466 1
1 771 . 2 1 1 A 83 83 PRO HA H 83 4.381 4.876 -0.495 1
1 778 . 2 1 1 A 83 83 PRO CA C 83 62.946 63.026 -0.080 1
1 779 . 2 1 1 A 83 83 PRO CB C 83 32.088 31.827 0.261 1
1 782 . 2 1 1 A 84 84 VAL HA H 84 4.956 5.179 -0.223 1
1 790 . 2 1 1 A 84 84 VAL CA C 84 59.200 59.442 -0.242 1
1 791 . 2 1 1 A 84 84 VAL CB C 84 35.235 36.521 -1.286 1
1 794 . 2 1 1 A 85 85 SER H H 85 8.491 8.512 -0.021 1
1 795 . 2 1 1 A 85 85 SER HA H 85 5.655 5.515 0.140 1
1 798 . 2 1 1 A 85 85 SER C C 85 174.729 173.362 1.367 1
1 799 . 2 1 1 A 85 85 SER CA C 85 56.679 57.217 -0.538 1
1 800 . 2 1 1 A 85 85 SER CB C 85 64.021 65.651 -1.630 1
1 801 . 2 1 1 A 85 85 SER N N 85 121.531 117.084 4.447 1
1 802 . 2 1 1 A 86 86 ILE H H 86 9.318 9.089 0.229 1
1 803 . 2 1 1 A 86 86 ILE HA H 86 4.803 5.178 -0.375 1
1 813 . 2 1 1 A 86 86 ILE C C 86 173.918 174.883 -0.965 1
1 814 . 2 1 1 A 86 86 ILE CA C 86 60.802 60.160 0.642 1
1 815 . 2 1 1 A 86 86 ILE CB C 86 41.352 42.573 -1.221 1
1 819 . 2 1 1 A 86 86 ILE N N 86 126.689 123.914 2.775 1
1 820 . 2 1 1 A 88 88 PHE HA H 88 5.866 5.575 0.291 1
1 826 . 2 1 1 A 88 88 PHE C C 88 175.891 174.099 1.792 1
1 827 . 2 1 1 A 88 88 PHE CA C 88 56.349 55.707 0.642 1
1 828 . 2 1 1 A 88 88 PHE CB C 88 44.020 42.951 1.069 1
1 832 . 2 1 1 A 89 89 GLY H H 89 8.913 8.834 0.079 1
1 833 . 2 1 1 A 89 89 GLY HA2 H 89 4.090 3.912 0.178 1
1 834 . 2 1 1 A 89 89 GLY HA3 H 89 4.090 4.102 -0.012 1
1 835 . 2 1 1 A 89 89 GLY C C 89 171.617 172.060 -0.443 1
1 836 . 2 1 1 A 89 89 GLY CA C 89 45.684 45.867 -0.183 1
1 837 . 2 1 1 A 89 89 GLY N N 89 105.946 105.892 0.054 1
1 838 . 2 1 1 A 90 90 ARG H H 90 8.880 8.409 0.471 1
1 839 . 2 1 1 A 90 90 ARG HA H 90 4.628 4.696 -0.068 1
1 846 . 2 1 1 A 90 90 ARG CA C 90 54.341 54.936 -0.595 1
1 847 . 2 1 1 A 90 90 ARG CB C 90 30.326 29.940 0.386 1
1 850 . 2 1 1 A 90 90 ARG N N 90 123.099 121.763 1.336 1
1 851 . 2 1 1 A 91 91 PRO HA H 91 4.390 4.396 -0.006 1
1 858 . 2 1 1 A 91 91 PRO CA C 91 62.994 65.172 -2.178 1
1 859 . 2 1 1 A 91 91 PRO CB C 91 32.136 31.951 0.185 1
1 862 . 2 1 1 A 92 92 ARG H H 92 8.506 7.308 1.198 1
1 863 . 2 1 1 A 92 92 ARG HA H 92 4.321 4.659 -0.338 1
1 867 . 2 1 1 A 92 92 ARG C C 92 176.279 175.803 0.476 1
1 868 . 2 1 1 A 92 92 ARG CA C 92 56.320 55.123 1.197 1
1 869 . 2 1 1 A 92 92 ARG CB C 92 30.937 33.103 -2.166 1
1 871 . 2 1 1 A 92 92 ARG N N 92 121.873 115.909 5.964 1
1 872 . 2 1 1 A 93 93 LEU H H 93 8.537 8.673 -0.136 1
1 873 . 2 1 1 A 93 93 LEU HA H 93 4.479 4.067 0.412 1
1 876 . 2 1 1 A 93 93 LEU C C 93 177.444 178.273 -0.829 1
1 877 . 2 1 1 A 93 93 LEU CA C 93 55.187 57.740 -2.553 1
1 878 . 2 1 1 A 93 93 LEU CB C 93 42.551 41.710 0.841 1
1 879 . 2 1 1 A 93 93 LEU N N 93 124.440 125.649 -1.209 1
1 880 . 2 1 1 A 94 94 THR H H 94 8.183 8.008 0.175 1
1 881 . 2 1 1 A 94 94 THR HA H 94 4.444 4.247 0.197 1
1 886 . 2 1 1 A 94 94 THR C C 94 174.383 175.604 -1.221 1
1 887 . 2 1 1 A 94 94 THR CA C 94 61.515 64.669 -3.154 1
1 888 . 2 1 1 A 94 94 THR CB C 94 70.080 68.567 1.513 1
1 890 . 2 1 1 A 94 94 THR N N 94 114.261 112.787 1.474 1
1 891 . 2 1 1 A 95 95 SER H H 95 8.394 8.092 0.302 1
1 892 . 2 1 1 A 95 95 SER HA H 95 4.502 4.615 -0.113 1
1 895 . 2 1 1 A 95 95 SER C C 95 173.465 173.782 -0.317 1
1 896 . 2 1 1 A 95 95 SER CA C 95 58.383 58.556 -0.173 1
1 897 . 2 1 1 A 95 95 SER CB C 95 64.103 62.152 1.951 1
1 898 . 2 1 1 A 95 95 SER N N 95 117.878 116.309 1.569 1
1 1 . 3 1 1 A 2 2 GLY H H 2 8.575 8.195 0.380 1
1 2 . 3 1 1 A 2 2 GLY HA3 H 2 3.941 4.028 -0.087 1
1 3 . 3 1 1 A 2 2 GLY CA C 2 45.109 45.084 0.025 1
1 4 . 3 1 1 A 2 2 GLY N N 2 110.363 111.216 -0.853 1
1 5 . 3 1 1 A 3 3 HIS H H 3 8.398 8.691 -0.293 1
1 7 . 3 1 1 A 3 3 HIS CA C 3 55.958 54.761 1.197 1
1 8 . 3 1 1 A 3 3 HIS CB C 3 29.588 32.463 -2.875 1
1 9 . 3 1 1 A 3 3 HIS N N 3 118.248 117.567 0.681 1
1 10 . 3 1 1 A 6 6 HIS HA H 6 4.637 4.377 0.260 1
1 12 . 3 1 1 A 6 6 HIS CA C 6 55.805 57.441 -1.636 1
1 13 . 3 1 1 A 6 6 HIS CB C 6 29.866 30.401 -0.535 1
1 14 . 3 1 1 A 7 7 HIS H H 7 8.775 8.598 0.177 1
1 15 . 3 1 1 A 7 7 HIS HA H 7 4.639 4.855 -0.216 1
1 18 . 3 1 1 A 7 7 HIS CA C 7 55.959 56.823 -0.864 1
1 19 . 3 1 1 A 7 7 HIS CB C 7 29.834 30.625 -0.791 1
1 20 . 3 1 1 A 7 7 HIS N N 7 120.965 121.422 -0.457 1
1 21 . 3 1 1 A 8 8 HIS H H 8 8.591 8.991 -0.400 1
1 22 . 3 1 1 A 8 8 HIS HA H 8 4.447 4.854 -0.407 1
1 25 . 3 1 1 A 8 8 HIS CA C 8 56.009 55.955 0.054 1
1 26 . 3 1 1 A 8 8 HIS CB C 8 32.890 32.822 0.068 1
1 27 . 3 1 1 A 8 8 HIS N N 8 122.251 121.452 0.799 1
1 28 . 3 1 1 A 9 9 LEU H H 9 8.430 7.799 0.631 1
1 29 . 3 1 1 A 9 9 LEU HA H 9 4.359 4.265 0.094 1
1 39 . 3 1 1 A 9 9 LEU C C 9 177.241 174.918 2.323 1
1 40 . 3 1 1 A 9 9 LEU CA C 9 55.395 56.020 -0.625 1
1 41 . 3 1 1 A 9 9 LEU CB C 9 42.317 42.527 -0.210 1
1 45 . 3 1 1 A 9 9 LEU N N 9 123.074 126.262 -3.188 1
1 46 . 3 1 1 A 10 10 ASP H H 10 8.358 8.833 -0.475 1
1 47 . 3 1 1 A 10 10 ASP HA H 10 4.606 5.305 -0.699 1
1 50 . 3 1 1 A 10 10 ASP C C 10 176.490 174.920 1.570 1
1 51 . 3 1 1 A 10 10 ASP CA C 10 54.541 52.930 1.611 1
1 52 . 3 1 1 A 10 10 ASP CB C 10 41.244 45.009 -3.765 1
1 53 . 3 1 1 A 10 10 ASP N N 10 121.299 125.272 -3.973 1
1 54 . 3 1 1 A 11 11 SER H H 11 8.212 8.491 -0.279 1
1 55 . 3 1 1 A 11 11 SER HA H 11 4.367 4.454 -0.087 1
1 58 . 3 1 1 A 11 11 SER C C 11 174.210 174.079 0.131 1
1 59 . 3 1 1 A 11 11 SER CA C 11 58.750 58.848 -0.098 1
1 60 . 3 1 1 A 11 11 SER CB C 11 63.743 63.464 0.279 1
1 61 . 3 1 1 A 11 11 SER N N 11 115.863 118.102 -2.239 1
1 62 . 3 1 1 A 12 12 TYR H H 12 8.207 8.408 -0.201 1
1 63 . 3 1 1 A 12 12 TYR HA H 12 4.562 4.644 -0.082 1
1 70 . 3 1 1 A 12 12 TYR C C 12 175.105 174.951 0.154 1
1 71 . 3 1 1 A 12 12 TYR CA C 12 57.994 57.739 0.255 1
1 72 . 3 1 1 A 12 12 TYR CB C 12 38.821 39.810 -0.989 1
1 77 . 3 1 1 A 12 12 TYR N N 12 121.901 121.484 0.417 1
1 78 . 3 1 1 A 13 13 ALA H H 13 8.033 8.859 -0.826 1
1 79 . 3 1 1 A 13 13 ALA HA H 13 4.552 4.837 -0.285 1
1 83 . 3 1 1 A 13 13 ALA C C 13 174.997 175.573 -0.576 1
1 84 . 3 1 1 A 13 13 ALA CA C 13 50.585 49.848 0.737 1
1 85 . 3 1 1 A 13 13 ALA CB C 13 18.488 19.861 -1.373 1
1 86 . 3 1 1 A 13 13 ALA N N 13 126.839 122.628 4.211 1
1 87 . 3 1 1 A 14 14 PRO HA H 14 4.390 4.608 -0.218 1
1 94 . 3 1 1 A 14 14 PRO C C 14 176.894 177.106 -0.212 1
1 95 . 3 1 1 A 14 14 PRO CA C 14 63.199 63.275 -0.076 1
1 96 . 3 1 1 A 14 14 PRO CB C 14 32.210 31.861 0.349 1
1 99 . 3 1 1 A 15 15 ARG H H 15 8.492 8.731 -0.239 1
1 100 . 3 1 1 A 15 15 ARG HA H 15 4.357 4.579 -0.222 1
1 104 . 3 1 1 A 15 15 ARG C C 15 176.040 176.239 -0.199 1
1 105 . 3 1 1 A 15 15 ARG CA C 15 56.029 56.819 -0.790 1
1 106 . 3 1 1 A 15 15 ARG CB C 15 31.097 30.928 0.169 1
1 108 . 3 1 1 A 15 15 ARG N N 15 121.148 123.560 -2.412 1
1 109 . 3 1 1 A 16 16 ALA H H 16 8.511 8.904 -0.393 1
1 110 . 3 1 1 A 16 16 ALA HA H 16 4.352 4.776 -0.424 1
1 114 . 3 1 1 A 16 16 ALA C C 16 177.569 175.899 1.670 1
1 115 . 3 1 1 A 16 16 ALA CA C 16 52.771 51.318 1.453 1
1 116 . 3 1 1 A 16 16 ALA CB C 16 19.291 23.837 -4.546 1
1 117 . 3 1 1 A 16 16 ALA N N 16 125.410 124.432 0.978 1
1 118 . 3 1 1 A 17 17 GLU H H 17 8.513 8.865 -0.352 1
1 119 . 3 1 1 A 17 17 GLU HA H 17 4.681 4.836 -0.155 1
1 124 . 3 1 1 A 17 17 GLU C C 17 176.040 175.894 0.146 1
1 125 . 3 1 1 A 17 17 GLU CA C 17 56.240 55.821 0.419 1
1 126 . 3 1 1 A 17 17 GLU CB C 17 31.430 31.104 0.326 1
1 128 . 3 1 1 A 17 17 GLU N N 17 120.135 117.909 2.226 1
1 129 . 3 1 1 A 20 20 LYS HA H 20 4.642 4.627 0.015 1
1 132 . 3 1 1 A 20 20 LYS C C 20 174.395 174.558 -0.163 1
1 133 . 3 1 1 A 20 20 LYS CA C 20 55.041 55.663 -0.622 1
1 134 . 3 1 1 A 20 20 LYS CB C 20 36.603 36.170 0.433 1
1 135 . 3 1 1 A 21 21 THR H H 21 8.278 8.369 -0.091 1
1 136 . 3 1 1 A 21 21 THR HA H 21 5.185 4.961 0.224 1
1 141 . 3 1 1 A 21 21 THR C C 21 174.123 173.278 0.845 1
1 142 . 3 1 1 A 21 21 THR CA C 21 62.206 61.770 0.436 1
1 143 . 3 1 1 A 21 21 THR CB C 21 69.740 70.526 -0.786 1
1 145 . 3 1 1 A 21 21 THR N N 21 118.285 115.861 2.424 1
1 146 . 3 1 1 A 22 22 PHE H H 22 9.552 9.276 0.276 1
1 147 . 3 1 1 A 22 22 PHE HA H 22 4.934 5.074 -0.140 1
1 155 . 3 1 1 A 22 22 PHE CA C 22 57.809 55.741 2.068 1
1 156 . 3 1 1 A 22 22 PHE CB C 22 43.018 44.188 -1.170 1
1 162 . 3 1 1 A 22 22 PHE N N 22 125.884 124.481 1.403 1
1 163 . 3 1 1 A 23 23 SER H H 23 8.489 8.621 -0.132 1
1 164 . 3 1 1 A 23 23 SER HA H 23 4.874 5.046 -0.172 1
1 167 . 3 1 1 A 23 23 SER CA C 23 57.308 57.131 0.177 1
1 168 . 3 1 1 A 23 23 SER CB C 23 65.134 66.205 -1.071 1
1 169 . 3 1 1 A 23 23 SER N N 23 116.064 114.410 1.654 1
1 170 . 3 1 1 A 24 24 TYR H H 24 8.561 8.233 0.328 1
1 171 . 3 1 1 A 24 24 TYR HA H 24 3.787 4.796 -1.009 1
1 178 . 3 1 1 A 24 24 TYR CA C 24 55.942 55.652 0.290 1
1 179 . 3 1 1 A 24 24 TYR CB C 24 39.190 41.580 -2.390 1
1 184 . 3 1 1 A 24 24 TYR N N 24 120.614 117.109 3.505 1
1 185 . 3 1 1 A 25 25 PRO HA H 25 3.195 4.405 -1.210 1
1 192 . 3 1 1 A 25 25 PRO CA C 25 61.641 64.728 -3.087 1
1 193 . 3 1 1 A 25 25 PRO CB C 25 33.950 32.119 1.831 1
1 196 . 3 1 1 A 29 29 LEU HA H 29 4.651 5.131 -0.480 1
1 199 . 3 1 1 A 29 29 LEU C C 29 175.676 175.933 -0.257 1
1 200 . 3 1 1 A 29 29 LEU CA C 29 54.443 54.002 0.441 1
1 201 . 3 1 1 A 29 29 LEU CB C 29 43.096 46.340 -3.244 1
1 204 . 3 1 1 A 30 30 LEU H H 30 8.665 8.756 -0.091 1
1 205 . 3 1 1 A 30 30 LEU HA H 30 5.369 5.566 -0.197 1
1 212 . 3 1 1 A 30 30 LEU C C 30 176.370 175.377 0.993 1
1 213 . 3 1 1 A 30 30 LEU CA C 30 53.005 53.729 -0.724 1
1 214 . 3 1 1 A 30 30 LEU CB C 30 43.867 45.920 -2.053 1
1 217 . 3 1 1 A 30 30 LEU N N 30 126.293 122.277 4.016 1
1 218 . 3 1 1 A 31 31 LYS H H 31 9.288 9.036 0.252 1
1 219 . 3 1 1 A 31 31 LYS HA H 31 4.664 4.981 -0.317 1
1 228 . 3 1 1 A 31 31 LYS C C 31 173.995 174.655 -0.660 1
1 229 . 3 1 1 A 31 31 LYS CA C 31 54.758 54.439 0.319 1
1 230 . 3 1 1 A 31 31 LYS CB C 31 37.173 36.387 0.786 1
1 234 . 3 1 1 A 31 31 LYS N N 31 119.484 119.414 0.070 1
1 235 . 3 1 1 A 32 32 LEU H H 32 8.724 8.639 0.085 1
1 236 . 3 1 1 A 32 32 LEU HA H 32 4.972 5.027 -0.055 1
1 246 . 3 1 1 A 32 32 LEU C C 32 177.274 175.551 1.723 1
1 247 . 3 1 1 A 32 32 LEU CA C 32 54.494 53.777 0.717 1
1 248 . 3 1 1 A 32 32 LEU CB C 32 43.119 44.225 -1.106 1
1 252 . 3 1 1 A 32 32 LEU N N 32 124.082 123.971 0.111 1
1 253 . 3 1 1 A 33 33 HIS H H 33 9.361 9.273 0.088 1
1 254 . 3 1 1 A 33 33 HIS HA H 33 4.698 4.853 -0.155 1
1 257 . 3 1 1 A 33 33 HIS C C 33 174.092 173.900 0.192 1
1 258 . 3 1 1 A 33 33 HIS CA C 33 56.497 55.862 0.635 1
1 259 . 3 1 1 A 33 33 HIS CB C 33 32.274 33.856 -1.582 1
1 260 . 3 1 1 A 33 33 HIS N N 33 125.743 125.240 0.503 1
1 261 . 3 1 1 A 34 34 ASP H H 34 9.134 9.103 0.031 1
1 262 . 3 1 1 A 34 34 ASP HA H 34 4.146 3.980 0.166 1
1 265 . 3 1 1 A 34 34 ASP C C 34 174.644 175.071 -0.427 1
1 266 . 3 1 1 A 34 34 ASP CA C 34 55.976 54.934 1.042 1
1 267 . 3 1 1 A 34 34 ASP CB C 34 39.179 39.388 -0.209 1
1 268 . 3 1 1 A 34 34 ASP N N 34 128.890 126.640 2.250 1
1 269 . 3 1 1 A 35 35 GLU H H 35 8.648 8.531 0.117 1
1 270 . 3 1 1 A 35 35 GLU HA H 35 3.681 3.837 -0.156 1
1 275 . 3 1 1 A 35 35 GLU C C 35 174.234 174.826 -0.592 1
1 276 . 3 1 1 A 35 35 GLU CA C 35 57.346 57.906 -0.560 1
1 277 . 3 1 1 A 35 35 GLU CB C 35 27.735 27.709 0.026 1
1 279 . 3 1 1 A 35 35 GLU N N 35 109.734 110.159 -0.425 1
1 280 . 3 1 1 A 36 36 ARG H H 36 7.710 7.636 0.074 1
1 281 . 3 1 1 A 36 36 ARG HA H 36 4.515 4.940 -0.425 1
1 285 . 3 1 1 A 36 36 ARG C C 36 174.063 174.762 -0.699 1
1 286 . 3 1 1 A 36 36 ARG CA C 36 54.212 54.100 0.112 1
1 287 . 3 1 1 A 36 36 ARG CB C 36 33.371 34.274 -0.903 1
1 289 . 3 1 1 A 36 36 ARG N N 36 116.091 118.533 -2.442 1
1 290 . 3 1 1 A 37 37 VAL H H 37 8.803 8.519 0.284 1
1 291 . 3 1 1 A 37 37 VAL HA H 37 4.375 5.179 -0.804 1
1 299 . 3 1 1 A 37 37 VAL C C 37 174.388 174.879 -0.491 1
1 300 . 3 1 1 A 37 37 VAL CA C 37 62.620 60.571 2.049 1
1 301 . 3 1 1 A 37 37 VAL CB C 37 31.484 33.703 -2.219 1
1 304 . 3 1 1 A 37 37 VAL N N 37 122.430 118.560 3.870 1
1 305 . 3 1 1 A 38 38 LEU H H 38 8.966 9.196 -0.230 1
1 306 . 3 1 1 A 38 38 LEU HA H 38 5.495 5.285 0.210 1
1 316 . 3 1 1 A 38 38 LEU C C 38 177.365 176.430 0.935 1
1 317 . 3 1 1 A 38 38 LEU CA C 38 52.624 53.415 -0.791 1
1 318 . 3 1 1 A 38 38 LEU CB C 38 46.189 45.359 0.830 1
1 322 . 3 1 1 A 38 38 LEU N N 38 125.739 126.937 -1.198 1
1 323 . 3 1 1 A 39 39 VAL H H 39 8.899 9.341 -0.442 1
1 324 . 3 1 1 A 39 39 VAL HA H 39 4.006 4.062 -0.056 1
1 332 . 3 1 1 A 39 39 VAL C C 39 176.380 175.740 0.640 1
1 333 . 3 1 1 A 39 39 VAL CA C 39 63.763 63.526 0.237 1
1 334 . 3 1 1 A 39 39 VAL CB C 39 31.629 30.803 0.826 1
1 337 . 3 1 1 A 39 39 VAL N N 39 119.125 123.010 -3.885 1
1 338 . 3 1 1 A 40 40 ALA H H 40 9.755 8.790 0.965 1
1 339 . 3 1 1 A 40 40 ALA HA H 40 4.533 4.045 0.488 1
1 343 . 3 1 1 A 40 40 ALA C C 40 176.636 176.872 -0.236 1
1 344 . 3 1 1 A 40 40 ALA CA C 40 52.536 54.315 -1.779 1
1 345 . 3 1 1 A 40 40 ALA CB C 40 20.860 19.775 1.085 1
1 346 . 3 1 1 A 40 40 ALA N N 40 133.618 130.902 2.716 1
1 347 . 3 1 1 A 41 41 PHE H H 41 7.761 7.438 0.323 1
1 348 . 3 1 1 A 41 41 PHE HA H 41 4.299 5.129 -0.830 1
1 353 . 3 1 1 A 41 41 PHE C C 41 172.990 174.909 -1.919 1
1 354 . 3 1 1 A 41 41 PHE CA C 41 59.306 56.415 2.891 1
1 355 . 3 1 1 A 41 41 PHE CB C 41 42.621 42.724 -0.103 1
1 358 . 3 1 1 A 41 41 PHE N N 41 117.497 113.173 4.324 1
1 359 . 3 1 1 A 42 42 GLY H H 42 7.709 8.467 -0.758 1
1 360 . 3 1 1 A 42 42 GLY HA2 H 42 4.190 4.091 0.099 1
1 361 . 3 1 1 A 42 42 GLY HA3 H 42 3.327 4.168 -0.841 1
1 362 . 3 1 1 A 42 42 GLY C C 42 171.542 171.776 -0.234 1
1 363 . 3 1 1 A 42 42 GLY CA C 42 44.310 45.865 -1.555 1
1 364 . 3 1 1 A 42 42 GLY N N 42 114.790 109.143 5.647 1
1 365 . 3 1 1 A 43 43 GLN HA H 43 4.366 4.863 -0.497 1
1 372 . 3 1 1 A 43 43 GLN CA C 43 55.207 53.772 1.435 1
1 373 . 3 1 1 A 43 43 GLN CB C 43 30.347 32.712 -2.365 1
1 376 . 3 1 1 A 49 49 VAL HA H 49 3.386 3.482 -0.096 1
1 384 . 3 1 1 A 49 49 VAL C C 49 177.680 177.185 0.495 1
1 385 . 3 1 1 A 49 49 VAL CA C 49 64.730 65.454 -0.724 1
1 386 . 3 1 1 A 49 49 VAL CB C 49 31.489 31.315 0.174 1
1 389 . 3 1 1 A 50 50 GLY H H 50 9.040 8.921 0.119 1
1 390 . 3 1 1 A 50 50 GLY HA2 H 50 4.505 3.970 0.535 1
1 391 . 3 1 1 A 50 50 GLY HA3 H 50 3.562 3.991 -0.429 1
1 392 . 3 1 1 A 50 50 GLY C C 50 175.034 174.534 0.500 1
1 393 . 3 1 1 A 50 50 GLY CA C 50 44.901 45.403 -0.502 1
1 394 . 3 1 1 A 50 50 GLY N N 50 115.994 114.920 1.074 1
1 395 . 3 1 1 A 51 51 HIS H H 51 8.228 7.904 0.324 1
1 396 . 3 1 1 A 51 51 HIS HA H 51 4.614 4.569 0.045 1
1 400 . 3 1 1 A 51 51 HIS C C 51 174.681 174.801 -0.120 1
1 401 . 3 1 1 A 51 51 HIS CA C 51 57.434 56.249 1.185 1
1 402 . 3 1 1 A 51 51 HIS CB C 51 32.934 30.772 2.162 1
1 404 . 3 1 1 A 51 51 HIS N N 51 120.280 119.796 0.484 1
1 405 . 3 1 1 A 52 52 ALA H H 52 9.229 9.133 0.096 1
1 406 . 3 1 1 A 52 52 ALA HA H 52 5.587 5.166 0.421 1
1 410 . 3 1 1 A 52 52 ALA C C 52 177.988 175.622 2.366 1
1 411 . 3 1 1 A 52 52 ALA CA C 52 50.053 50.319 -0.266 1
1 412 . 3 1 1 A 52 52 ALA CB C 52 22.023 22.755 -0.732 1
1 413 . 3 1 1 A 52 52 ALA N N 52 121.598 122.308 -0.710 1
1 414 . 3 1 1 A 53 53 VAL HA H 53 3.473 3.455 0.018 1
1 422 . 3 1 1 A 53 53 VAL C C 53 175.227 175.463 -0.236 1
1 423 . 3 1 1 A 53 53 VAL CA C 53 63.914 62.386 1.528 1
1 424 . 3 1 1 A 53 53 VAL CB C 53 32.339 31.858 0.481 1
1 427 . 3 1 1 A 54 54 LEU H H 54 9.067 9.174 -0.107 1
1 428 . 3 1 1 A 54 54 LEU HA H 54 4.599 4.505 0.094 1
1 434 . 3 1 1 A 54 54 LEU C C 54 178.208 176.454 1.754 1
1 435 . 3 1 1 A 54 54 LEU CA C 54 55.084 55.728 -0.644 1
1 436 . 3 1 1 A 54 54 LEU CB C 54 43.490 43.688 -0.198 1
1 439 . 3 1 1 A 54 54 LEU N N 54 126.184 129.322 -3.138 1
1 440 . 3 1 1 A 55 55 ALA H H 55 7.665 7.355 0.310 1
1 441 . 3 1 1 A 55 55 ALA HA H 55 4.889 4.765 0.124 1
1 445 . 3 1 1 A 55 55 ALA C C 55 175.085 175.068 0.017 1
1 446 . 3 1 1 A 55 55 ALA CA C 55 52.600 51.493 1.107 1
1 447 . 3 1 1 A 55 55 ALA CB C 55 21.847 22.673 -0.826 1
1 448 . 3 1 1 A 55 55 ALA N N 55 119.807 116.826 2.981 1
1 449 . 3 1 1 A 56 56 ILE H H 56 8.209 8.791 -0.582 1
1 450 . 3 1 1 A 56 56 ILE HA H 56 4.643 4.619 0.024 1
1 460 . 3 1 1 A 56 56 ILE C C 56 176.001 176.262 -0.261 1
1 461 . 3 1 1 A 56 56 ILE CA C 56 59.817 60.069 -0.252 1
1 462 . 3 1 1 A 56 56 ILE CB C 56 41.035 40.411 0.624 1
1 466 . 3 1 1 A 56 56 ILE N N 56 119.114 119.054 0.060 1
1 467 . 3 1 1 A 57 57 ASN H H 57 10.090 9.526 0.564 1
1 468 . 3 1 1 A 57 57 ASN HA H 57 4.523 4.531 -0.008 1
1 473 . 3 1 1 A 57 57 ASN C C 57 175.371 175.636 -0.265 1
1 474 . 3 1 1 A 57 57 ASN CA C 57 54.161 54.047 0.114 1
1 475 . 3 1 1 A 57 57 ASN CB C 57 36.953 36.380 0.573 1
1 476 . 3 1 1 A 57 57 ASN N N 57 128.487 126.426 2.061 1
1 478 . 3 1 1 A 58 58 GLY H H 58 9.200 8.279 0.921 1
1 479 . 3 1 1 A 58 58 GLY HA2 H 58 4.080 3.908 0.172 1
1 480 . 3 1 1 A 58 58 GLY HA3 H 58 3.513 3.910 -0.397 1
1 481 . 3 1 1 A 58 58 GLY C C 58 174.149 174.177 -0.028 1
1 482 . 3 1 1 A 58 58 GLY CA C 58 45.464 45.008 0.456 1
1 483 . 3 1 1 A 58 58 GLY N N 58 103.720 108.803 -5.083 1
1 484 . 3 1 1 A 59 59 MET H H 59 7.852 8.098 -0.246 1
1 485 . 3 1 1 A 59 59 MET HA H 59 4.801 4.262 0.539 1
1 490 . 3 1 1 A 59 59 MET C C 59 175.661 175.334 0.327 1
1 491 . 3 1 1 A 59 59 MET CA C 59 53.528 54.458 -0.930 1
1 492 . 3 1 1 A 59 59 MET CB C 59 33.623 31.808 1.815 1
1 494 . 3 1 1 A 59 59 MET N N 59 120.479 120.994 -0.515 1
1 495 . 3 1 1 A 60 60 ASP H H 60 8.931 8.716 0.215 1
1 496 . 3 1 1 A 60 60 ASP HA H 60 4.696 4.610 0.086 1
1 499 . 3 1 1 A 60 60 ASP C C 60 176.608 175.605 1.003 1
1 500 . 3 1 1 A 60 60 ASP CA C 60 55.789 54.610 1.179 1
1 501 . 3 1 1 A 60 60 ASP CB C 60 40.793 41.532 -0.739 1
1 502 . 3 1 1 A 60 60 ASP N N 60 127.746 126.586 1.160 1
1 503 . 3 1 1 A 61 61 VAL H H 61 7.734 8.833 -1.099 1
1 504 . 3 1 1 A 61 61 VAL HA H 61 4.216 4.861 -0.645 1
1 512 . 3 1 1 A 61 61 VAL C C 61 174.993 174.307 0.686 1
1 513 . 3 1 1 A 61 61 VAL CA C 61 60.816 60.697 0.119 1
1 514 . 3 1 1 A 61 61 VAL CB C 61 32.006 33.521 -1.515 1
1 517 . 3 1 1 A 61 61 VAL N N 61 117.791 119.997 -2.206 1
1 518 . 3 1 1 A 62 62 ASN H H 62 9.011 8.956 0.055 1
1 519 . 3 1 1 A 62 62 ASN HA H 62 5.044 4.874 0.170 1
1 524 . 3 1 1 A 62 62 ASN C C 62 175.375 175.791 -0.416 1
1 525 . 3 1 1 A 62 62 ASN CA C 62 51.604 52.764 -1.160 1
1 526 . 3 1 1 A 62 62 ASN CB C 62 39.209 38.600 0.609 1
1 527 . 3 1 1 A 62 62 ASN N N 62 124.361 125.174 -0.813 1
1 529 . 3 1 1 A 63 63 GLY H H 63 8.699 8.510 0.189 1
1 530 . 3 1 1 A 63 63 GLY HA2 H 63 4.267 3.852 0.415 1
1 531 . 3 1 1 A 63 63 GLY HA3 H 63 3.760 3.876 -0.116 1
1 532 . 3 1 1 A 63 63 GLY C C 63 173.666 174.507 -0.841 1
1 533 . 3 1 1 A 63 63 GLY CA C 63 47.919 47.332 0.587 1
1 534 . 3 1 1 A 63 63 GLY N N 63 113.974 115.547 -1.573 1
1 535 . 3 1 1 A 64 64 ARG H H 64 8.595 8.364 0.231 1
1 536 . 3 1 1 A 64 64 ARG HA H 64 4.144 4.411 -0.267 1
1 544 . 3 1 1 A 64 64 ARG C C 64 175.001 174.964 0.037 1
1 545 . 3 1 1 A 64 64 ARG CA C 64 55.449 55.262 0.187 1
1 546 . 3 1 1 A 64 64 ARG CB C 64 31.649 31.105 0.544 1
1 549 . 3 1 1 A 64 64 ARG N N 64 124.516 121.994 2.522 1
1 551 . 3 1 1 A 65 65 TYR H H 65 7.959 7.632 0.327 1
1 552 . 3 1 1 A 65 65 TYR HA H 65 5.515 5.431 0.084 1
1 559 . 3 1 1 A 65 65 TYR C C 65 176.353 175.932 0.421 1
1 560 . 3 1 1 A 65 65 TYR CA C 65 57.143 56.583 0.560 1
1 561 . 3 1 1 A 65 65 TYR CB C 65 42.338 42.406 -0.068 1
1 566 . 3 1 1 A 65 65 TYR N N 65 119.872 118.999 0.873 1
1 567 . 3 1 1 A 66 66 THR H H 66 9.651 8.952 0.699 1
1 568 . 3 1 1 A 66 66 THR HA H 66 4.418 4.459 -0.041 1
1 573 . 3 1 1 A 66 66 THR C C 66 177.773 176.137 1.636 1
1 574 . 3 1 1 A 66 66 THR CA C 66 61.270 61.261 0.009 1
1 575 . 3 1 1 A 66 66 THR CB C 66 71.305 70.715 0.590 1
1 577 . 3 1 1 A 66 66 THR N N 66 111.062 115.435 -4.373 1
1 578 . 3 1 1 A 67 67 ALA H H 67 9.388 8.836 0.552 1
1 579 . 3 1 1 A 67 67 ALA HA H 67 4.109 3.986 0.123 1
1 583 . 3 1 1 A 67 67 ALA C C 67 177.993 179.452 -1.459 1
1 584 . 3 1 1 A 67 67 ALA CA C 67 55.247 55.354 -0.107 1
1 585 . 3 1 1 A 67 67 ALA CB C 67 18.955 18.268 0.687 1
1 586 . 3 1 1 A 67 67 ALA N N 67 125.051 124.302 0.749 1
1 587 . 3 1 1 A 68 68 ASP H H 68 7.980 7.863 0.117 1
1 588 . 3 1 1 A 68 68 ASP HA H 68 4.674 4.588 0.086 1
1 591 . 3 1 1 A 68 68 ASP C C 68 176.691 176.149 0.542 1
1 592 . 3 1 1 A 68 68 ASP CA C 68 52.824 54.637 -1.813 1
1 593 . 3 1 1 A 68 68 ASP CB C 68 39.776 41.234 -1.458 1
1 594 . 3 1 1 A 68 68 ASP N N 68 111.027 116.422 -5.395 1
1 595 . 3 1 1 A 69 69 GLY H H 69 8.052 7.770 0.282 1
1 596 . 3 1 1 A 69 69 GLY HA2 H 69 4.154 4.070 0.084 1
1 597 . 3 1 1 A 69 69 GLY HA3 H 69 3.569 4.100 -0.531 1
1 598 . 3 1 1 A 69 69 GLY C C 69 174.525 174.610 -0.085 1
1 599 . 3 1 1 A 69 69 GLY CA C 69 46.273 44.904 1.369 1
1 600 . 3 1 1 A 69 69 GLY N N 69 107.666 107.505 0.161 1
1 601 . 3 1 1 A 70 70 LYS H H 70 7.816 7.634 0.182 1
1 602 . 3 1 1 A 70 70 LYS HA H 70 4.639 4.404 0.235 1
1 611 . 3 1 1 A 70 70 LYS C C 70 176.713 176.473 0.240 1
1 612 . 3 1 1 A 70 70 LYS CA C 70 54.753 56.417 -1.664 1
1 613 . 3 1 1 A 70 70 LYS CB C 70 32.589 33.668 -1.079 1
1 617 . 3 1 1 A 70 70 LYS N N 70 120.047 120.661 -0.614 1
1 618 . 3 1 1 A 71 71 GLU H H 71 9.375 8.607 0.768 1
1 619 . 3 1 1 A 71 71 GLU HA H 71 4.366 4.165 0.201 1
1 624 . 3 1 1 A 71 71 GLU C C 71 177.910 177.662 0.248 1
1 625 . 3 1 1 A 71 71 GLU CA C 71 58.297 56.867 1.430 1
1 626 . 3 1 1 A 71 71 GLU CB C 71 29.572 31.380 -1.808 1
1 628 . 3 1 1 A 71 71 GLU N N 71 124.416 125.081 -0.665 1
1 629 . 3 1 1 A 72 72 VAL H H 72 9.028 8.704 0.324 1
1 630 . 3 1 1 A 72 72 VAL HA H 72 3.258 3.657 -0.399 1
1 638 . 3 1 1 A 72 72 VAL C C 72 177.159 177.285 -0.126 1
1 639 . 3 1 1 A 72 72 VAL CA C 72 67.561 66.695 0.866 1
1 640 . 3 1 1 A 72 72 VAL CB C 72 31.962 31.456 0.506 1
1 643 . 3 1 1 A 72 72 VAL N N 72 128.216 125.883 2.333 1
1 644 . 3 1 1 A 73 73 LEU H H 73 9.223 8.146 1.077 1
1 645 . 3 1 1 A 73 73 LEU HA H 73 3.972 3.895 0.077 1
1 655 . 3 1 1 A 73 73 LEU C C 73 180.513 179.433 1.080 1
1 656 . 3 1 1 A 73 73 LEU CA C 73 58.658 57.971 0.687 1
1 657 . 3 1 1 A 73 73 LEU CB C 73 40.458 40.866 -0.408 1
1 661 . 3 1 1 A 73 73 LEU N N 73 117.712 120.053 -2.341 1
1 662 . 3 1 1 A 74 74 GLU H H 74 7.456 8.243 -0.787 1
1 663 . 3 1 1 A 74 74 GLU HA H 74 4.133 3.974 0.159 1
1 668 . 3 1 1 A 74 74 GLU C C 74 179.695 178.486 1.209 1
1 669 . 3 1 1 A 74 74 GLU CA C 74 59.092 59.424 -0.332 1
1 670 . 3 1 1 A 74 74 GLU CB C 74 29.845 29.348 0.497 1
1 672 . 3 1 1 A 74 74 GLU N N 74 119.823 119.488 0.335 1
1 673 . 3 1 1 A 75 75 TYR H H 75 8.706 8.309 0.397 1
1 674 . 3 1 1 A 75 75 TYR HA H 75 4.047 4.213 -0.166 1
1 681 . 3 1 1 A 75 75 TYR C C 75 179.408 176.920 2.488 1
1 682 . 3 1 1 A 75 75 TYR CA C 75 62.106 61.477 0.629 1
1 683 . 3 1 1 A 75 75 TYR CB C 75 39.275 38.844 0.431 1
1 688 . 3 1 1 A 75 75 TYR N N 75 123.223 122.440 0.783 1
1 689 . 3 1 1 A 76 76 LEU H H 76 8.586 8.867 -0.281 1
1 690 . 3 1 1 A 76 76 LEU HA H 76 4.458 3.925 0.533 1
1 700 . 3 1 1 A 76 76 LEU C C 76 178.328 179.157 -0.829 1
1 701 . 3 1 1 A 76 76 LEU CA C 76 55.395 57.793 -2.398 1
1 702 . 3 1 1 A 76 76 LEU CB C 76 41.315 41.719 -0.404 1
1 706 . 3 1 1 A 76 76 LEU N N 76 113.641 118.679 -5.038 1
1 707 . 3 1 1 A 77 77 GLY H H 77 7.868 8.175 -0.307 1
1 708 . 3 1 1 A 77 77 GLY HA2 H 77 4.541 3.905 0.636 1
1 709 . 3 1 1 A 77 77 GLY HA3 H 77 3.946 3.936 0.010 1
1 710 . 3 1 1 A 77 77 GLY C C 77 172.507 174.799 -2.292 1
1 711 . 3 1 1 A 77 77 GLY CA C 77 45.274 47.094 -1.820 1
1 712 . 3 1 1 A 77 77 GLY N N 77 108.897 106.600 2.297 1
1 713 . 3 1 1 A 78 78 ASN H H 78 7.108 7.596 -0.488 1
1 714 . 3 1 1 A 78 78 ASN HA H 78 5.208 4.791 0.417 1
1 719 . 3 1 1 A 78 78 ASN C C 78 174.475 175.233 -0.758 1
1 720 . 3 1 1 A 78 78 ASN CA C 78 49.514 51.001 -1.487 1
1 721 . 3 1 1 A 78 78 ASN CB C 78 39.531 39.579 -0.048 1
1 722 . 3 1 1 A 78 78 ASN N N 78 119.451 118.554 0.897 1
1 724 . 3 1 1 A 79 79 PRO HA H 79 3.589 3.649 -0.060 1
1 731 . 3 1 1 A 79 79 PRO C C 79 177.877 177.041 0.836 1
1 732 . 3 1 1 A 79 79 PRO CA C 79 64.697 63.661 1.036 1
1 733 . 3 1 1 A 79 79 PRO CB C 79 30.935 31.114 -0.179 1
1 736 . 3 1 1 A 80 80 ALA H H 80 7.842 8.145 -0.303 1
1 737 . 3 1 1 A 80 80 ALA HA H 80 4.197 4.058 0.139 1
1 741 . 3 1 1 A 80 80 ALA C C 80 178.566 178.090 0.476 1
1 742 . 3 1 1 A 80 80 ALA CA C 80 53.801 54.158 -0.357 1
1 743 . 3 1 1 A 80 80 ALA CB C 80 18.366 18.284 0.082 1
1 744 . 3 1 1 A 80 80 ALA N N 80 119.231 120.153 -0.922 1
1 745 . 3 1 1 A 81 81 ASN H H 81 7.714 7.790 -0.076 1
1 746 . 3 1 1 A 81 81 ASN HA H 81 4.662 5.049 -0.387 1
1 751 . 3 1 1 A 81 81 ASN C C 81 172.714 175.553 -2.839 1
1 752 . 3 1 1 A 81 81 ASN CA C 81 52.960 52.702 0.258 1
1 753 . 3 1 1 A 81 81 ASN CB C 81 37.946 39.111 -1.165 1
1 754 . 3 1 1 A 81 81 ASN N N 81 113.680 114.607 -0.927 1
1 756 . 3 1 1 A 82 82 TYR H H 82 7.299 7.912 -0.613 1
1 757 . 3 1 1 A 82 82 TYR HA H 82 4.283 4.667 -0.384 1
1 763 . 3 1 1 A 82 82 TYR C C 82 174.383 176.566 -2.183 1
1 764 . 3 1 1 A 82 82 TYR CA C 82 57.061 61.267 -4.206 1
1 765 . 3 1 1 A 82 82 TYR CB C 82 39.447 38.066 1.381 1
1 770 . 3 1 1 A 82 82 TYR N N 82 118.625 120.630 -2.005 1
1 771 . 3 1 1 A 83 83 PRO HA H 83 4.381 4.980 -0.599 1
1 778 . 3 1 1 A 83 83 PRO CA C 83 62.946 62.850 0.096 1
1 779 . 3 1 1 A 83 83 PRO CB C 83 32.088 31.755 0.333 1
1 782 . 3 1 1 A 84 84 VAL HA H 84 4.956 5.005 -0.049 1
1 790 . 3 1 1 A 84 84 VAL CA C 84 59.200 59.587 -0.387 1
1 791 . 3 1 1 A 84 84 VAL CB C 84 35.235 36.249 -1.014 1
1 794 . 3 1 1 A 85 85 SER H H 85 8.491 8.821 -0.330 1
1 795 . 3 1 1 A 85 85 SER HA H 85 5.655 5.127 0.528 1
1 798 . 3 1 1 A 85 85 SER C C 85 174.729 174.042 0.687 1
1 799 . 3 1 1 A 85 85 SER CA C 85 56.679 58.688 -2.009 1
1 800 . 3 1 1 A 85 85 SER CB C 85 64.021 63.986 0.035 1
1 801 . 3 1 1 A 85 85 SER N N 85 121.531 119.524 2.007 1
1 802 . 3 1 1 A 86 86 ILE H H 86 9.318 9.117 0.201 1
1 803 . 3 1 1 A 86 86 ILE HA H 86 4.803 4.922 -0.119 1
1 813 . 3 1 1 A 86 86 ILE C C 86 173.918 174.740 -0.822 1
1 814 . 3 1 1 A 86 86 ILE CA C 86 60.802 59.823 0.979 1
1 815 . 3 1 1 A 86 86 ILE CB C 86 41.352 42.418 -1.066 1
1 819 . 3 1 1 A 86 86 ILE N N 86 126.689 124.009 2.680 1
1 820 . 3 1 1 A 88 88 PHE HA H 88 5.866 5.395 0.471 1
1 826 . 3 1 1 A 88 88 PHE C C 88 175.891 175.814 0.077 1
1 827 . 3 1 1 A 88 88 PHE CA C 88 56.349 55.740 0.609 1
1 828 . 3 1 1 A 88 88 PHE CB C 88 44.020 43.576 0.444 1
1 832 . 3 1 1 A 89 89 GLY H H 89 8.913 8.824 0.089 1
1 833 . 3 1 1 A 89 89 GLY HA2 H 89 4.090 4.373 -0.283 1
1 834 . 3 1 1 A 89 89 GLY HA3 H 89 4.090 4.455 -0.365 1
1 835 . 3 1 1 A 89 89 GLY C C 89 171.617 172.116 -0.499 1
1 836 . 3 1 1 A 89 89 GLY CA C 89 45.684 45.872 -0.188 1
1 837 . 3 1 1 A 89 89 GLY N N 89 105.946 109.127 -3.181 1
1 838 . 3 1 1 A 90 90 ARG H H 90 8.880 8.173 0.707 1
1 839 . 3 1 1 A 90 90 ARG HA H 90 4.628 4.168 0.460 1
1 846 . 3 1 1 A 90 90 ARG CA C 90 54.341 54.569 -0.228 1
1 847 . 3 1 1 A 90 90 ARG CB C 90 30.326 29.439 0.887 1
1 850 . 3 1 1 A 90 90 ARG N N 90 123.099 120.719 2.380 1
1 851 . 3 1 1 A 91 91 PRO HA H 91 4.390 4.519 -0.129 1
1 858 . 3 1 1 A 91 91 PRO CA C 91 62.994 62.891 0.103 1
1 859 . 3 1 1 A 91 91 PRO CB C 91 32.136 32.597 -0.461 1
1 862 . 3 1 1 A 92 92 ARG H H 92 8.506 9.038 -0.532 1
1 863 . 3 1 1 A 92 92 ARG HA H 92 4.321 3.954 0.367 1
1 867 . 3 1 1 A 92 92 ARG C C 92 176.279 177.694 -1.415 1
1 868 . 3 1 1 A 92 92 ARG CA C 92 56.320 59.372 -3.052 1
1 869 . 3 1 1 A 92 92 ARG CB C 92 30.937 30.053 0.884 1
1 871 . 3 1 1 A 92 92 ARG N N 92 121.873 123.333 -1.460 1
1 872 . 3 1 1 A 93 93 LEU H H 93 8.537 7.737 0.800 1
1 873 . 3 1 1 A 93 93 LEU HA H 93 4.479 4.016 0.463 1
1 876 . 3 1 1 A 93 93 LEU C C 93 177.444 177.687 -0.243 1
1 877 . 3 1 1 A 93 93 LEU CA C 93 55.187 57.489 -2.302 1
1 878 . 3 1 1 A 93 93 LEU CB C 93 42.551 41.749 0.802 1
1 879 . 3 1 1 A 93 93 LEU N N 93 124.440 120.963 3.477 1
1 880 . 3 1 1 A 94 94 THR H H 94 8.183 8.088 0.095 1
1 881 . 3 1 1 A 94 94 THR HA H 94 4.444 4.733 -0.289 1
1 886 . 3 1 1 A 94 94 THR C C 94 174.383 173.510 0.873 1
1 887 . 3 1 1 A 94 94 THR CA C 94 61.515 61.003 0.512 1
1 888 . 3 1 1 A 94 94 THR CB C 94 70.080 69.517 0.563 1
1 890 . 3 1 1 A 94 94 THR N N 94 114.261 111.011 3.250 1
1 891 . 3 1 1 A 95 95 SER H H 95 8.394 7.723 0.671 1
1 892 . 3 1 1 A 95 95 SER HA H 95 4.502 4.809 -0.307 1
1 895 . 3 1 1 A 95 95 SER C C 95 173.465 174.032 -0.567 1
1 896 . 3 1 1 A 95 95 SER CA C 95 58.383 56.938 1.445 1
1 897 . 3 1 1 A 95 95 SER CB C 95 64.103 63.412 0.691 1
1 898 . 3 1 1 A 95 95 SER N N 95 117.878 117.580 0.298 1
1 1 . 4 1 1 A 2 2 GLY H H 2 8.575 7.952 0.623 1
1 2 . 4 1 1 A 2 2 GLY HA3 H 2 3.941 4.040 -0.099 1
1 3 . 4 1 1 A 2 2 GLY CA C 2 45.109 45.383 -0.274 1
1 4 . 4 1 1 A 2 2 GLY N N 2 110.363 112.314 -1.951 1
1 5 . 4 1 1 A 3 3 HIS H H 3 8.398 7.953 0.445 1
1 7 . 4 1 1 A 3 3 HIS CA C 3 55.958 58.414 -2.456 1
1 8 . 4 1 1 A 3 3 HIS CB C 3 29.588 29.113 0.475 1
1 9 . 4 1 1 A 3 3 HIS N N 3 118.248 120.397 -2.149 1
1 10 . 4 1 1 A 6 6 HIS HA H 6 4.637 5.010 -0.373 1
1 12 . 4 1 1 A 6 6 HIS CA C 6 55.805 55.552 0.253 1
1 13 . 4 1 1 A 6 6 HIS CB C 6 29.866 33.178 -3.312 1
1 14 . 4 1 1 A 7 7 HIS H H 7 8.775 8.149 0.626 1
1 15 . 4 1 1 A 7 7 HIS HA H 7 4.639 4.331 0.308 1
1 18 . 4 1 1 A 7 7 HIS CA C 7 55.959 57.741 -1.782 1
1 19 . 4 1 1 A 7 7 HIS CB C 7 29.834 30.474 -0.640 1
1 20 . 4 1 1 A 7 7 HIS N N 7 120.965 124.258 -3.293 1
1 21 . 4 1 1 A 8 8 HIS H H 8 8.591 7.962 0.629 1
1 22 . 4 1 1 A 8 8 HIS HA H 8 4.447 4.910 -0.463 1
1 25 . 4 1 1 A 8 8 HIS CA C 8 56.009 53.814 2.195 1
1 26 . 4 1 1 A 8 8 HIS CB C 8 32.890 31.945 0.945 1
1 27 . 4 1 1 A 8 8 HIS N N 8 122.251 118.837 3.414 1
1 28 . 4 1 1 A 9 9 LEU H H 9 8.430 8.415 0.015 1
1 29 . 4 1 1 A 9 9 LEU HA H 9 4.359 4.228 0.131 1
1 39 . 4 1 1 A 9 9 LEU C C 9 177.241 174.858 2.383 1
1 40 . 4 1 1 A 9 9 LEU CA C 9 55.395 55.987 -0.592 1
1 41 . 4 1 1 A 9 9 LEU CB C 9 42.317 42.327 -0.010 1
1 45 . 4 1 1 A 9 9 LEU N N 9 123.074 121.816 1.258 1
1 46 . 4 1 1 A 10 10 ASP H H 10 8.358 8.509 -0.151 1
1 47 . 4 1 1 A 10 10 ASP HA H 10 4.606 5.065 -0.459 1
1 50 . 4 1 1 A 10 10 ASP C C 10 176.490 175.791 0.699 1
1 51 . 4 1 1 A 10 10 ASP CA C 10 54.541 53.360 1.181 1
1 52 . 4 1 1 A 10 10 ASP CB C 10 41.244 43.866 -2.622 1
1 53 . 4 1 1 A 10 10 ASP N N 10 121.299 126.806 -5.507 1
1 54 . 4 1 1 A 11 11 SER H H 11 8.212 8.663 -0.451 1
1 55 . 4 1 1 A 11 11 SER HA H 11 4.367 4.357 0.010 1
1 58 . 4 1 1 A 11 11 SER C C 11 174.210 174.544 -0.334 1
1 59 . 4 1 1 A 11 11 SER CA C 11 58.750 61.631 -2.881 1
1 60 . 4 1 1 A 11 11 SER CB C 11 63.743 63.781 -0.038 1
1 61 . 4 1 1 A 11 11 SER N N 11 115.863 117.000 -1.137 1
1 62 . 4 1 1 A 12 12 TYR H H 12 8.207 7.394 0.813 1
1 63 . 4 1 1 A 12 12 TYR HA H 12 4.562 4.959 -0.397 1
1 70 . 4 1 1 A 12 12 TYR C C 12 175.105 173.304 1.801 1
1 71 . 4 1 1 A 12 12 TYR CA C 12 57.994 56.145 1.849 1
1 72 . 4 1 1 A 12 12 TYR CB C 12 38.821 40.409 -1.588 1
1 77 . 4 1 1 A 12 12 TYR N N 12 121.901 117.016 4.885 1
1 78 . 4 1 1 A 13 13 ALA H H 13 8.033 8.950 -0.917 1
1 79 . 4 1 1 A 13 13 ALA HA H 13 4.552 4.940 -0.388 1
1 83 . 4 1 1 A 13 13 ALA C C 13 174.997 174.487 0.510 1
1 84 . 4 1 1 A 13 13 ALA CA C 13 50.585 49.658 0.927 1
1 85 . 4 1 1 A 13 13 ALA CB C 13 18.488 22.476 -3.988 1
1 86 . 4 1 1 A 13 13 ALA N N 13 126.839 122.422 4.417 1
1 87 . 4 1 1 A 14 14 PRO HA H 14 4.390 4.637 -0.247 1
1 94 . 4 1 1 A 14 14 PRO C C 14 176.894 176.836 0.058 1
1 95 . 4 1 1 A 14 14 PRO CA C 14 63.199 62.333 0.866 1
1 96 . 4 1 1 A 14 14 PRO CB C 14 32.210 32.840 -0.630 1
1 99 . 4 1 1 A 15 15 ARG H H 15 8.492 8.537 -0.045 1
1 100 . 4 1 1 A 15 15 ARG HA H 15 4.357 4.308 0.049 1
1 104 . 4 1 1 A 15 15 ARG C C 15 176.040 176.180 -0.140 1
1 105 . 4 1 1 A 15 15 ARG CA C 15 56.029 56.881 -0.852 1
1 106 . 4 1 1 A 15 15 ARG CB C 15 31.097 30.185 0.912 1
1 108 . 4 1 1 A 15 15 ARG N N 15 121.148 120.204 0.944 1
1 109 . 4 1 1 A 16 16 ALA H H 16 8.511 7.409 1.102 1
1 110 . 4 1 1 A 16 16 ALA HA H 16 4.352 4.243 0.109 1
1 114 . 4 1 1 A 16 16 ALA C C 16 177.569 178.295 -0.726 1
1 115 . 4 1 1 A 16 16 ALA CA C 16 52.771 53.134 -0.363 1
1 116 . 4 1 1 A 16 16 ALA CB C 16 19.291 18.677 0.614 1
1 117 . 4 1 1 A 16 16 ALA N N 16 125.410 123.012 2.398 1
1 118 . 4 1 1 A 17 17 GLU H H 17 8.513 8.893 -0.380 1
1 119 . 4 1 1 A 17 17 GLU HA H 17 4.681 4.067 0.614 1
1 124 . 4 1 1 A 17 17 GLU C C 17 176.040 175.193 0.847 1
1 125 . 4 1 1 A 17 17 GLU CA C 17 56.240 57.335 -1.095 1
1 126 . 4 1 1 A 17 17 GLU CB C 17 31.430 27.361 4.069 1
1 128 . 4 1 1 A 17 17 GLU N N 17 120.135 122.914 -2.779 1
1 129 . 4 1 1 A 20 20 LYS HA H 20 4.642 4.635 0.007 1
1 132 . 4 1 1 A 20 20 LYS C C 20 174.395 174.465 -0.070 1
1 133 . 4 1 1 A 20 20 LYS CA C 20 55.041 55.329 -0.288 1
1 134 . 4 1 1 A 20 20 LYS CB C 20 36.603 36.444 0.159 1
1 135 . 4 1 1 A 21 21 THR H H 21 8.278 8.261 0.017 1
1 136 . 4 1 1 A 21 21 THR HA H 21 5.185 4.658 0.527 1
1 141 . 4 1 1 A 21 21 THR C C 21 174.123 173.953 0.170 1
1 142 . 4 1 1 A 21 21 THR CA C 21 62.206 61.712 0.494 1
1 143 . 4 1 1 A 21 21 THR CB C 21 69.740 69.904 -0.164 1
1 145 . 4 1 1 A 21 21 THR N N 21 118.285 115.226 3.059 1
1 146 . 4 1 1 A 22 22 PHE H H 22 9.552 9.261 0.291 1
1 147 . 4 1 1 A 22 22 PHE HA H 22 4.934 5.074 -0.140 1
1 155 . 4 1 1 A 22 22 PHE CA C 22 57.809 55.762 2.047 1
1 156 . 4 1 1 A 22 22 PHE CB C 22 43.018 44.160 -1.142 1
1 162 . 4 1 1 A 22 22 PHE N N 22 125.884 120.668 5.216 1
1 163 . 4 1 1 A 23 23 SER H H 23 8.489 8.507 -0.018 1
1 164 . 4 1 1 A 23 23 SER HA H 23 4.874 4.805 0.069 1
1 167 . 4 1 1 A 23 23 SER CA C 23 57.308 57.043 0.265 1
1 168 . 4 1 1 A 23 23 SER CB C 23 65.134 66.195 -1.061 1
1 169 . 4 1 1 A 23 23 SER N N 23 116.064 114.406 1.658 1
1 170 . 4 1 1 A 24 24 TYR H H 24 8.561 8.451 0.110 1
1 171 . 4 1 1 A 24 24 TYR HA H 24 3.787 4.807 -1.020 1
1 178 . 4 1 1 A 24 24 TYR CA C 24 55.942 55.455 0.487 1
1 179 . 4 1 1 A 24 24 TYR CB C 24 39.190 41.190 -2.000 1
1 184 . 4 1 1 A 24 24 TYR N N 24 120.614 118.002 2.612 1
1 185 . 4 1 1 A 25 25 PRO HA H 25 3.195 4.640 -1.445 1
1 192 . 4 1 1 A 25 25 PRO CA C 25 61.641 62.845 -1.204 1
1 193 . 4 1 1 A 25 25 PRO CB C 25 33.950 33.119 0.831 1
1 196 . 4 1 1 A 29 29 LEU HA H 29 4.651 5.181 -0.530 1
1 199 . 4 1 1 A 29 29 LEU C C 29 175.676 176.035 -0.359 1
1 200 . 4 1 1 A 29 29 LEU CA C 29 54.443 54.051 0.392 1
1 201 . 4 1 1 A 29 29 LEU CB C 29 43.096 46.213 -3.117 1
1 204 . 4 1 1 A 30 30 LEU H H 30 8.665 8.810 -0.145 1
1 205 . 4 1 1 A 30 30 LEU HA H 30 5.369 5.495 -0.126 1
1 212 . 4 1 1 A 30 30 LEU C C 30 176.370 175.039 1.331 1
1 213 . 4 1 1 A 30 30 LEU CA C 30 53.005 53.881 -0.876 1
1 214 . 4 1 1 A 30 30 LEU CB C 30 43.867 46.555 -2.688 1
1 217 . 4 1 1 A 30 30 LEU N N 30 126.293 121.813 4.480 1
1 218 . 4 1 1 A 31 31 LYS H H 31 9.288 8.958 0.330 1
1 219 . 4 1 1 A 31 31 LYS HA H 31 4.664 5.078 -0.414 1
1 228 . 4 1 1 A 31 31 LYS C C 31 173.995 174.651 -0.656 1
1 229 . 4 1 1 A 31 31 LYS CA C 31 54.758 54.501 0.257 1
1 230 . 4 1 1 A 31 31 LYS CB C 31 37.173 36.255 0.918 1
1 234 . 4 1 1 A 31 31 LYS N N 31 119.484 119.546 -0.062 1
1 235 . 4 1 1 A 32 32 LEU H H 32 8.724 8.560 0.164 1
1 236 . 4 1 1 A 32 32 LEU HA H 32 4.972 4.868 0.104 1
1 246 . 4 1 1 A 32 32 LEU C C 32 177.274 175.674 1.600 1
1 247 . 4 1 1 A 32 32 LEU CA C 32 54.494 54.980 -0.486 1
1 248 . 4 1 1 A 32 32 LEU CB C 32 43.119 43.097 0.022 1
1 252 . 4 1 1 A 32 32 LEU N N 32 124.082 124.831 -0.749 1
1 253 . 4 1 1 A 33 33 HIS H H 33 9.361 9.265 0.096 1
1 254 . 4 1 1 A 33 33 HIS HA H 33 4.698 4.861 -0.163 1
1 257 . 4 1 1 A 33 33 HIS C C 33 174.092 173.912 0.180 1
1 258 . 4 1 1 A 33 33 HIS CA C 33 56.497 55.825 0.672 1
1 259 . 4 1 1 A 33 33 HIS CB C 33 32.274 33.949 -1.675 1
1 260 . 4 1 1 A 33 33 HIS N N 33 125.743 125.272 0.471 1
1 261 . 4 1 1 A 34 34 ASP H H 34 9.134 9.173 -0.039 1
1 262 . 4 1 1 A 34 34 ASP HA H 34 4.146 3.974 0.172 1
1 265 . 4 1 1 A 34 34 ASP C C 34 174.644 175.035 -0.391 1
1 266 . 4 1 1 A 34 34 ASP CA C 34 55.976 54.907 1.069 1
1 267 . 4 1 1 A 34 34 ASP CB C 34 39.179 39.272 -0.093 1
1 268 . 4 1 1 A 34 34 ASP N N 34 128.890 126.743 2.147 1
1 269 . 4 1 1 A 35 35 GLU H H 35 8.648 8.508 0.140 1
1 270 . 4 1 1 A 35 35 GLU HA H 35 3.681 3.839 -0.158 1
1 275 . 4 1 1 A 35 35 GLU C C 35 174.234 174.885 -0.651 1
1 276 . 4 1 1 A 35 35 GLU CA C 35 57.346 57.911 -0.565 1
1 277 . 4 1 1 A 35 35 GLU CB C 35 27.735 27.686 0.049 1
1 279 . 4 1 1 A 35 35 GLU N N 35 109.734 110.335 -0.601 1
1 280 . 4 1 1 A 36 36 ARG H H 36 7.710 7.636 0.074 1
1 281 . 4 1 1 A 36 36 ARG HA H 36 4.515 4.999 -0.484 1
1 285 . 4 1 1 A 36 36 ARG C C 36 174.063 174.753 -0.690 1
1 286 . 4 1 1 A 36 36 ARG CA C 36 54.212 54.020 0.192 1
1 287 . 4 1 1 A 36 36 ARG CB C 36 33.371 34.459 -1.088 1
1 289 . 4 1 1 A 36 36 ARG N N 36 116.091 118.351 -2.260 1
1 290 . 4 1 1 A 37 37 VAL H H 37 8.803 8.505 0.298 1
1 291 . 4 1 1 A 37 37 VAL HA H 37 4.375 4.801 -0.426 1
1 299 . 4 1 1 A 37 37 VAL C C 37 174.388 174.992 -0.604 1
1 300 . 4 1 1 A 37 37 VAL CA C 37 62.620 61.516 1.104 1
1 301 . 4 1 1 A 37 37 VAL CB C 37 31.484 32.879 -1.395 1
1 304 . 4 1 1 A 37 37 VAL N N 37 122.430 120.635 1.795 1
1 305 . 4 1 1 A 38 38 LEU H H 38 8.966 9.382 -0.416 1
1 306 . 4 1 1 A 38 38 LEU HA H 38 5.495 5.308 0.187 1
1 316 . 4 1 1 A 38 38 LEU C C 38 177.365 176.635 0.730 1
1 317 . 4 1 1 A 38 38 LEU CA C 38 52.624 53.362 -0.738 1
1 318 . 4 1 1 A 38 38 LEU CB C 38 46.189 44.750 1.439 1
1 322 . 4 1 1 A 38 38 LEU N N 38 125.739 128.077 -2.338 1
1 323 . 4 1 1 A 39 39 VAL H H 39 8.899 9.363 -0.464 1
1 324 . 4 1 1 A 39 39 VAL HA H 39 4.006 4.059 -0.053 1
1 332 . 4 1 1 A 39 39 VAL C C 39 176.380 175.970 0.410 1
1 333 . 4 1 1 A 39 39 VAL CA C 39 63.763 63.515 0.248 1
1 334 . 4 1 1 A 39 39 VAL CB C 39 31.629 30.947 0.682 1
1 337 . 4 1 1 A 39 39 VAL N N 39 119.125 122.858 -3.733 1
1 338 . 4 1 1 A 40 40 ALA H H 40 9.755 8.946 0.809 1
1 339 . 4 1 1 A 40 40 ALA HA H 40 4.533 4.272 0.261 1
1 343 . 4 1 1 A 40 40 ALA C C 40 176.636 177.299 -0.663 1
1 344 . 4 1 1 A 40 40 ALA CA C 40 52.536 54.127 -1.591 1
1 345 . 4 1 1 A 40 40 ALA CB C 40 20.860 19.738 1.122 1
1 346 . 4 1 1 A 40 40 ALA N N 40 133.618 130.877 2.741 1
1 347 . 4 1 1 A 41 41 PHE H H 41 7.761 7.448 0.313 1
1 348 . 4 1 1 A 41 41 PHE HA H 41 4.299 4.841 -0.542 1
1 353 . 4 1 1 A 41 41 PHE C C 41 172.990 173.686 -0.696 1
1 354 . 4 1 1 A 41 41 PHE CA C 41 59.306 57.347 1.959 1
1 355 . 4 1 1 A 41 41 PHE CB C 41 42.621 42.684 -0.063 1
1 358 . 4 1 1 A 41 41 PHE N N 41 117.497 117.385 0.112 1
1 359 . 4 1 1 A 42 42 GLY H H 42 7.709 8.112 -0.403 1
1 360 . 4 1 1 A 42 42 GLY HA2 H 42 4.190 3.961 0.229 1
1 361 . 4 1 1 A 42 42 GLY HA3 H 42 3.327 4.060 -0.733 1
1 362 . 4 1 1 A 42 42 GLY C C 42 171.542 175.865 -4.323 1
1 363 . 4 1 1 A 42 42 GLY CA C 42 44.310 45.494 -1.184 1
1 364 . 4 1 1 A 42 42 GLY N N 42 114.790 111.663 3.127 1
1 365 . 4 1 1 A 43 43 GLN HA H 43 4.366 4.165 0.201 1
1 372 . 4 1 1 A 43 43 GLN CA C 43 55.207 57.743 -2.536 1
1 373 . 4 1 1 A 43 43 GLN CB C 43 30.347 28.372 1.975 1
1 376 . 4 1 1 A 49 49 VAL HA H 49 3.386 3.944 -0.558 1
1 384 . 4 1 1 A 49 49 VAL C C 49 177.680 176.281 1.399 1
1 385 . 4 1 1 A 49 49 VAL CA C 49 64.730 62.925 1.805 1
1 386 . 4 1 1 A 49 49 VAL CB C 49 31.489 31.947 -0.458 1
1 389 . 4 1 1 A 50 50 GLY H H 50 9.040 8.633 0.407 1
1 390 . 4 1 1 A 50 50 GLY HA2 H 50 4.505 3.899 0.606 1
1 391 . 4 1 1 A 50 50 GLY HA3 H 50 3.562 3.945 -0.383 1
1 392 . 4 1 1 A 50 50 GLY C C 50 175.034 174.854 0.180 1
1 393 . 4 1 1 A 50 50 GLY CA C 50 44.901 44.865 0.036 1
1 394 . 4 1 1 A 50 50 GLY N N 50 115.994 113.662 2.332 1
1 395 . 4 1 1 A 51 51 HIS H H 51 8.228 7.861 0.367 1
1 396 . 4 1 1 A 51 51 HIS HA H 51 4.614 4.543 0.071 1
1 400 . 4 1 1 A 51 51 HIS C C 51 174.681 174.636 0.045 1
1 401 . 4 1 1 A 51 51 HIS CA C 51 57.434 56.467 0.967 1
1 402 . 4 1 1 A 51 51 HIS CB C 51 32.934 30.768 2.166 1
1 404 . 4 1 1 A 51 51 HIS N N 51 120.280 118.974 1.306 1
1 405 . 4 1 1 A 52 52 ALA H H 52 9.229 9.069 0.160 1
1 406 . 4 1 1 A 52 52 ALA HA H 52 5.587 5.303 0.284 1
1 410 . 4 1 1 A 52 52 ALA C C 52 177.988 176.138 1.850 1
1 411 . 4 1 1 A 52 52 ALA CA C 52 50.053 50.397 -0.344 1
1 412 . 4 1 1 A 52 52 ALA CB C 52 22.023 23.462 -1.439 1
1 413 . 4 1 1 A 52 52 ALA N N 52 121.598 122.622 -1.024 1
1 414 . 4 1 1 A 53 53 VAL HA H 53 3.473 3.486 -0.013 1
1 422 . 4 1 1 A 53 53 VAL C C 53 175.227 175.704 -0.477 1
1 423 . 4 1 1 A 53 53 VAL CA C 53 63.914 63.103 0.811 1
1 424 . 4 1 1 A 53 53 VAL CB C 53 32.339 32.019 0.320 1
1 427 . 4 1 1 A 54 54 LEU H H 54 9.067 9.114 -0.047 1
1 428 . 4 1 1 A 54 54 LEU HA H 54 4.599 4.561 0.038 1
1 434 . 4 1 1 A 54 54 LEU C C 54 178.208 176.695 1.513 1
1 435 . 4 1 1 A 54 54 LEU CA C 54 55.084 55.532 -0.448 1
1 436 . 4 1 1 A 54 54 LEU CB C 54 43.490 43.941 -0.451 1
1 439 . 4 1 1 A 54 54 LEU N N 54 126.184 126.600 -0.416 1
1 440 . 4 1 1 A 55 55 ALA H H 55 7.665 7.523 0.142 1
1 441 . 4 1 1 A 55 55 ALA HA H 55 4.889 4.933 -0.044 1
1 445 . 4 1 1 A 55 55 ALA C C 55 175.085 175.190 -0.105 1
1 446 . 4 1 1 A 55 55 ALA CA C 55 52.600 51.414 1.186 1
1 447 . 4 1 1 A 55 55 ALA CB C 55 21.847 22.896 -1.049 1
1 448 . 4 1 1 A 55 55 ALA N N 55 119.807 117.460 2.347 1
1 449 . 4 1 1 A 56 56 ILE H H 56 8.209 8.746 -0.537 1
1 450 . 4 1 1 A 56 56 ILE HA H 56 4.643 4.765 -0.122 1
1 460 . 4 1 1 A 56 56 ILE C C 56 176.001 175.931 0.070 1
1 461 . 4 1 1 A 56 56 ILE CA C 56 59.817 60.024 -0.207 1
1 462 . 4 1 1 A 56 56 ILE CB C 56 41.035 40.778 0.257 1
1 466 . 4 1 1 A 56 56 ILE N N 56 119.114 118.791 0.323 1
1 467 . 4 1 1 A 57 57 ASN H H 57 10.090 9.786 0.304 1
1 468 . 4 1 1 A 57 57 ASN HA H 57 4.523 4.522 0.001 1
1 473 . 4 1 1 A 57 57 ASN C C 57 175.371 175.300 0.071 1
1 474 . 4 1 1 A 57 57 ASN CA C 57 54.161 54.595 -0.434 1
1 475 . 4 1 1 A 57 57 ASN CB C 57 36.953 37.139 -0.186 1
1 476 . 4 1 1 A 57 57 ASN N N 57 128.487 127.202 1.285 1
1 478 . 4 1 1 A 58 58 GLY H H 58 9.200 8.467 0.733 1
1 479 . 4 1 1 A 58 58 GLY HA2 H 58 4.080 3.877 0.203 1
1 480 . 4 1 1 A 58 58 GLY HA3 H 58 3.513 3.879 -0.366 1
1 481 . 4 1 1 A 58 58 GLY C C 58 174.149 173.902 0.247 1
1 482 . 4 1 1 A 58 58 GLY CA C 58 45.464 45.345 0.119 1
1 483 . 4 1 1 A 58 58 GLY N N 58 103.720 104.687 -0.967 1
1 484 . 4 1 1 A 59 59 MET H H 59 7.852 8.237 -0.385 1
1 485 . 4 1 1 A 59 59 MET HA H 59 4.801 4.330 0.471 1
1 490 . 4 1 1 A 59 59 MET C C 59 175.661 175.258 0.403 1
1 491 . 4 1 1 A 59 59 MET CA C 59 53.528 54.548 -1.020 1
1 492 . 4 1 1 A 59 59 MET CB C 59 33.623 31.864 1.759 1
1 494 . 4 1 1 A 59 59 MET N N 59 120.479 121.025 -0.546 1
1 495 . 4 1 1 A 60 60 ASP H H 60 8.931 8.708 0.223 1
1 496 . 4 1 1 A 60 60 ASP HA H 60 4.696 4.708 -0.012 1
1 499 . 4 1 1 A 60 60 ASP C C 60 176.608 175.719 0.889 1
1 500 . 4 1 1 A 60 60 ASP CA C 60 55.789 54.840 0.949 1
1 501 . 4 1 1 A 60 60 ASP CB C 60 40.793 41.447 -0.654 1
1 502 . 4 1 1 A 60 60 ASP N N 60 127.746 126.329 1.417 1
1 503 . 4 1 1 A 61 61 VAL H H 61 7.734 8.762 -1.028 1
1 504 . 4 1 1 A 61 61 VAL HA H 61 4.216 4.687 -0.471 1
1 512 . 4 1 1 A 61 61 VAL C C 61 174.993 174.788 0.205 1
1 513 . 4 1 1 A 61 61 VAL CA C 61 60.816 61.173 -0.357 1
1 514 . 4 1 1 A 61 61 VAL CB C 61 32.006 32.756 -0.750 1
1 517 . 4 1 1 A 61 61 VAL N N 61 117.791 122.001 -4.210 1
1 518 . 4 1 1 A 62 62 ASN H H 62 9.011 8.887 0.124 1
1 519 . 4 1 1 A 62 62 ASN HA H 62 5.044 4.739 0.305 1
1 524 . 4 1 1 A 62 62 ASN C C 62 175.375 175.846 -0.471 1
1 525 . 4 1 1 A 62 62 ASN CA C 62 51.604 53.535 -1.931 1
1 526 . 4 1 1 A 62 62 ASN CB C 62 39.209 38.531 0.678 1
1 527 . 4 1 1 A 62 62 ASN N N 62 124.361 125.021 -0.660 1
1 529 . 4 1 1 A 63 63 GLY H H 63 8.699 8.867 -0.168 1
1 530 . 4 1 1 A 63 63 GLY HA2 H 63 4.267 3.866 0.401 1
1 531 . 4 1 1 A 63 63 GLY HA3 H 63 3.760 3.912 -0.152 1
1 532 . 4 1 1 A 63 63 GLY C C 63 173.666 174.616 -0.950 1
1 533 . 4 1 1 A 63 63 GLY CA C 63 47.919 47.371 0.548 1
1 534 . 4 1 1 A 63 63 GLY N N 63 113.974 115.673 -1.699 1
1 535 . 4 1 1 A 64 64 ARG H H 64 8.595 8.391 0.204 1
1 536 . 4 1 1 A 64 64 ARG HA H 64 4.144 4.415 -0.271 1
1 544 . 4 1 1 A 64 64 ARG C C 64 175.001 174.984 0.017 1
1 545 . 4 1 1 A 64 64 ARG CA C 64 55.449 55.328 0.121 1
1 546 . 4 1 1 A 64 64 ARG CB C 64 31.649 30.925 0.724 1
1 549 . 4 1 1 A 64 64 ARG N N 64 124.516 124.419 0.097 1
1 551 . 4 1 1 A 65 65 TYR H H 65 7.959 7.661 0.298 1
1 552 . 4 1 1 A 65 65 TYR HA H 65 5.515 5.412 0.103 1
1 559 . 4 1 1 A 65 65 TYR C C 65 176.353 175.879 0.474 1
1 560 . 4 1 1 A 65 65 TYR CA C 65 57.143 56.558 0.585 1
1 561 . 4 1 1 A 65 65 TYR CB C 65 42.338 42.179 0.159 1
1 566 . 4 1 1 A 65 65 TYR N N 65 119.872 119.279 0.593 1
1 567 . 4 1 1 A 66 66 THR H H 66 9.651 8.942 0.709 1
1 568 . 4 1 1 A 66 66 THR HA H 66 4.418 4.456 -0.038 1
1 573 . 4 1 1 A 66 66 THR C C 66 177.773 175.988 1.785 1
1 574 . 4 1 1 A 66 66 THR CA C 66 61.270 61.178 0.092 1
1 575 . 4 1 1 A 66 66 THR CB C 66 71.305 70.614 0.691 1
1 577 . 4 1 1 A 66 66 THR N N 66 111.062 115.062 -4.000 1
1 578 . 4 1 1 A 67 67 ALA H H 67 9.388 8.949 0.439 1
1 579 . 4 1 1 A 67 67 ALA HA H 67 4.109 3.970 0.139 1
1 583 . 4 1 1 A 67 67 ALA C C 67 177.993 179.467 -1.474 1
1 584 . 4 1 1 A 67 67 ALA CA C 67 55.247 55.359 -0.112 1
1 585 . 4 1 1 A 67 67 ALA CB C 67 18.955 18.237 0.718 1
1 586 . 4 1 1 A 67 67 ALA N N 67 125.051 124.362 0.689 1
1 587 . 4 1 1 A 68 68 ASP H H 68 7.980 7.874 0.106 1
1 588 . 4 1 1 A 68 68 ASP HA H 68 4.674 4.570 0.104 1
1 591 . 4 1 1 A 68 68 ASP C C 68 176.691 176.135 0.556 1
1 592 . 4 1 1 A 68 68 ASP CA C 68 52.824 54.713 -1.889 1
1 593 . 4 1 1 A 68 68 ASP CB C 68 39.776 41.291 -1.515 1
1 594 . 4 1 1 A 68 68 ASP N N 68 111.027 116.795 -5.768 1
1 595 . 4 1 1 A 69 69 GLY H H 69 8.052 7.783 0.269 1
1 596 . 4 1 1 A 69 69 GLY HA2 H 69 4.154 4.057 0.097 1
1 597 . 4 1 1 A 69 69 GLY HA3 H 69 3.569 4.082 -0.513 1
1 598 . 4 1 1 A 69 69 GLY C C 69 174.525 174.647 -0.122 1
1 599 . 4 1 1 A 69 69 GLY CA C 69 46.273 44.900 1.373 1
1 600 . 4 1 1 A 69 69 GLY N N 69 107.666 107.501 0.165 1
1 601 . 4 1 1 A 70 70 LYS H H 70 7.816 7.553 0.263 1
1 602 . 4 1 1 A 70 70 LYS HA H 70 4.639 4.311 0.328 1
1 611 . 4 1 1 A 70 70 LYS C C 70 176.713 176.003 0.710 1
1 612 . 4 1 1 A 70 70 LYS CA C 70 54.753 56.670 -1.917 1
1 613 . 4 1 1 A 70 70 LYS CB C 70 32.589 33.467 -0.878 1
1 617 . 4 1 1 A 70 70 LYS N N 70 120.047 120.523 -0.476 1
1 618 . 4 1 1 A 71 71 GLU H H 71 9.375 8.620 0.755 1
1 619 . 4 1 1 A 71 71 GLU HA H 71 4.366 4.025 0.341 1
1 624 . 4 1 1 A 71 71 GLU C C 71 177.910 177.497 0.413 1
1 625 . 4 1 1 A 71 71 GLU CA C 71 58.297 56.896 1.401 1
1 626 . 4 1 1 A 71 71 GLU CB C 71 29.572 29.808 -0.236 1
1 628 . 4 1 1 A 71 71 GLU N N 71 124.416 121.745 2.671 1
1 629 . 4 1 1 A 72 72 VAL H H 72 9.028 8.654 0.374 1
1 630 . 4 1 1 A 72 72 VAL HA H 72 3.258 3.705 -0.447 1
1 638 . 4 1 1 A 72 72 VAL C C 72 177.159 177.167 -0.008 1
1 639 . 4 1 1 A 72 72 VAL CA C 72 67.561 66.826 0.735 1
1 640 . 4 1 1 A 72 72 VAL CB C 72 31.962 31.605 0.357 1
1 643 . 4 1 1 A 72 72 VAL N N 72 128.216 123.775 4.441 1
1 644 . 4 1 1 A 73 73 LEU H H 73 9.223 8.144 1.079 1
1 645 . 4 1 1 A 73 73 LEU HA H 73 3.972 3.893 0.079 1
1 655 . 4 1 1 A 73 73 LEU C C 73 180.513 179.424 1.089 1
1 656 . 4 1 1 A 73 73 LEU CA C 73 58.658 58.049 0.609 1
1 657 . 4 1 1 A 73 73 LEU CB C 73 40.458 40.777 -0.319 1
1 661 . 4 1 1 A 73 73 LEU N N 73 117.712 119.513 -1.801 1
1 662 . 4 1 1 A 74 74 GLU H H 74 7.456 8.201 -0.745 1
1 663 . 4 1 1 A 74 74 GLU HA H 74 4.133 3.961 0.172 1
1 668 . 4 1 1 A 74 74 GLU C C 74 179.695 178.690 1.005 1
1 669 . 4 1 1 A 74 74 GLU CA C 74 59.092 59.489 -0.397 1
1 670 . 4 1 1 A 74 74 GLU CB C 74 29.845 29.242 0.603 1
1 672 . 4 1 1 A 74 74 GLU N N 74 119.823 120.485 -0.662 1
1 673 . 4 1 1 A 75 75 TYR H H 75 8.706 8.522 0.184 1
1 674 . 4 1 1 A 75 75 TYR HA H 75 4.047 4.205 -0.158 1
1 681 . 4 1 1 A 75 75 TYR C C 75 179.408 176.816 2.592 1
1 682 . 4 1 1 A 75 75 TYR CA C 75 62.106 61.606 0.500 1
1 683 . 4 1 1 A 75 75 TYR CB C 75 39.275 38.824 0.451 1
1 688 . 4 1 1 A 75 75 TYR N N 75 123.223 121.170 2.053 1
1 689 . 4 1 1 A 76 76 LEU H H 76 8.586 8.667 -0.081 1
1 690 . 4 1 1 A 76 76 LEU HA H 76 4.458 3.930 0.528 1
1 700 . 4 1 1 A 76 76 LEU C C 76 178.328 179.406 -1.078 1
1 701 . 4 1 1 A 76 76 LEU CA C 76 55.395 57.855 -2.460 1
1 702 . 4 1 1 A 76 76 LEU CB C 76 41.315 41.599 -0.284 1
1 706 . 4 1 1 A 76 76 LEU N N 76 113.641 119.029 -5.388 1
1 707 . 4 1 1 A 77 77 GLY H H 77 7.868 8.070 -0.202 1
1 708 . 4 1 1 A 77 77 GLY HA2 H 77 4.541 3.888 0.653 1
1 709 . 4 1 1 A 77 77 GLY HA3 H 77 3.946 3.892 0.054 1
1 710 . 4 1 1 A 77 77 GLY C C 77 172.507 174.657 -2.150 1
1 711 . 4 1 1 A 77 77 GLY CA C 77 45.274 46.647 -1.373 1
1 712 . 4 1 1 A 77 77 GLY N N 77 108.897 106.542 2.355 1
1 713 . 4 1 1 A 78 78 ASN H H 78 7.108 7.673 -0.565 1
1 714 . 4 1 1 A 78 78 ASN HA H 78 5.208 4.819 0.389 1
1 719 . 4 1 1 A 78 78 ASN C C 78 174.475 175.330 -0.855 1
1 720 . 4 1 1 A 78 78 ASN CA C 78 49.514 51.058 -1.544 1
1 721 . 4 1 1 A 78 78 ASN CB C 78 39.531 39.544 -0.013 1
1 722 . 4 1 1 A 78 78 ASN N N 78 119.451 119.560 -0.109 1
1 724 . 4 1 1 A 79 79 PRO HA H 79 3.589 3.756 -0.167 1
1 731 . 4 1 1 A 79 79 PRO C C 79 177.877 176.993 0.884 1
1 732 . 4 1 1 A 79 79 PRO CA C 79 64.697 63.687 1.010 1
1 733 . 4 1 1 A 79 79 PRO CB C 79 30.935 31.242 -0.307 1
1 736 . 4 1 1 A 80 80 ALA H H 80 7.842 8.123 -0.281 1
1 737 . 4 1 1 A 80 80 ALA HA H 80 4.197 4.107 0.090 1
1 741 . 4 1 1 A 80 80 ALA C C 80 178.566 177.560 1.006 1
1 742 . 4 1 1 A 80 80 ALA CA C 80 53.801 53.964 -0.163 1
1 743 . 4 1 1 A 80 80 ALA CB C 80 18.366 18.309 0.057 1
1 744 . 4 1 1 A 80 80 ALA N N 80 119.231 119.833 -0.602 1
1 745 . 4 1 1 A 81 81 ASN H H 81 7.714 8.015 -0.301 1
1 746 . 4 1 1 A 81 81 ASN HA H 81 4.662 5.024 -0.362 1
1 751 . 4 1 1 A 81 81 ASN C C 81 172.714 175.725 -3.011 1
1 752 . 4 1 1 A 81 81 ASN CA C 81 52.960 51.897 1.063 1
1 753 . 4 1 1 A 81 81 ASN CB C 81 37.946 39.274 -1.328 1
1 754 . 4 1 1 A 81 81 ASN N N 81 113.680 116.538 -2.858 1
1 756 . 4 1 1 A 82 82 TYR H H 82 7.299 7.713 -0.414 1
1 757 . 4 1 1 A 82 82 TYR HA H 82 4.283 4.615 -0.332 1
1 763 . 4 1 1 A 82 82 TYR C C 82 174.383 176.374 -1.991 1
1 764 . 4 1 1 A 82 82 TYR CA C 82 57.061 60.956 -3.895 1
1 765 . 4 1 1 A 82 82 TYR CB C 82 39.447 37.888 1.559 1
1 770 . 4 1 1 A 82 82 TYR N N 82 118.625 121.059 -2.434 1
1 771 . 4 1 1 A 83 83 PRO HA H 83 4.381 4.818 -0.437 1
1 778 . 4 1 1 A 83 83 PRO CA C 83 62.946 62.999 -0.053 1
1 779 . 4 1 1 A 83 83 PRO CB C 83 32.088 31.792 0.296 1
1 782 . 4 1 1 A 84 84 VAL HA H 84 4.956 5.077 -0.121 1
1 790 . 4 1 1 A 84 84 VAL CA C 84 59.200 59.584 -0.384 1
1 791 . 4 1 1 A 84 84 VAL CB C 84 35.235 36.460 -1.225 1
1 794 . 4 1 1 A 85 85 SER H H 85 8.491 8.465 0.026 1
1 795 . 4 1 1 A 85 85 SER HA H 85 5.655 5.558 0.097 1
1 798 . 4 1 1 A 85 85 SER C C 85 174.729 173.318 1.411 1
1 799 . 4 1 1 A 85 85 SER CA C 85 56.679 57.360 -0.681 1
1 800 . 4 1 1 A 85 85 SER CB C 85 64.021 65.366 -1.345 1
1 801 . 4 1 1 A 85 85 SER N N 85 121.531 117.122 4.409 1
1 802 . 4 1 1 A 86 86 ILE H H 86 9.318 9.360 -0.042 1
1 803 . 4 1 1 A 86 86 ILE HA H 86 4.803 5.089 -0.286 1
1 813 . 4 1 1 A 86 86 ILE C C 86 173.918 174.040 -0.122 1
1 814 . 4 1 1 A 86 86 ILE CA C 86 60.802 60.031 0.771 1
1 815 . 4 1 1 A 86 86 ILE CB C 86 41.352 42.366 -1.014 1
1 819 . 4 1 1 A 86 86 ILE N N 86 126.689 123.987 2.702 1
1 820 . 4 1 1 A 88 88 PHE HA H 88 5.866 5.451 0.415 1
1 826 . 4 1 1 A 88 88 PHE C C 88 175.891 175.470 0.421 1
1 827 . 4 1 1 A 88 88 PHE CA C 88 56.349 56.027 0.322 1
1 828 . 4 1 1 A 88 88 PHE CB C 88 44.020 43.591 0.429 1
1 832 . 4 1 1 A 89 89 GLY H H 89 8.913 8.613 0.300 1
1 833 . 4 1 1 A 89 89 GLY HA2 H 89 4.090 4.318 -0.228 1
1 834 . 4 1 1 A 89 89 GLY HA3 H 89 4.090 4.364 -0.274 1
1 835 . 4 1 1 A 89 89 GLY C C 89 171.617 172.109 -0.492 1
1 836 . 4 1 1 A 89 89 GLY CA C 89 45.684 46.154 -0.470 1
1 837 . 4 1 1 A 89 89 GLY N N 89 105.946 108.416 -2.470 1
1 838 . 4 1 1 A 90 90 ARG H H 90 8.880 8.404 0.476 1
1 839 . 4 1 1 A 90 90 ARG HA H 90 4.628 4.792 -0.164 1
1 846 . 4 1 1 A 90 90 ARG CA C 90 54.341 54.774 -0.433 1
1 847 . 4 1 1 A 90 90 ARG CB C 90 30.326 29.702 0.624 1
1 850 . 4 1 1 A 90 90 ARG N N 90 123.099 121.574 1.525 1
1 851 . 4 1 1 A 91 91 PRO HA H 91 4.390 4.401 -0.011 1
1 858 . 4 1 1 A 91 91 PRO CA C 91 62.994 65.178 -2.184 1
1 859 . 4 1 1 A 91 91 PRO CB C 91 32.136 31.965 0.171 1
1 862 . 4 1 1 A 92 92 ARG H H 92 8.506 7.710 0.796 1
1 863 . 4 1 1 A 92 92 ARG HA H 92 4.321 4.954 -0.633 1
1 867 . 4 1 1 A 92 92 ARG C C 92 176.279 173.922 2.357 1
1 868 . 4 1 1 A 92 92 ARG CA C 92 56.320 54.785 1.535 1
1 869 . 4 1 1 A 92 92 ARG CB C 92 30.937 35.342 -4.405 1
1 871 . 4 1 1 A 92 92 ARG N N 92 121.873 117.943 3.930 1
1 872 . 4 1 1 A 93 93 LEU H H 93 8.537 8.595 -0.058 1
1 873 . 4 1 1 A 93 93 LEU HA H 93 4.479 5.040 -0.561 1
1 876 . 4 1 1 A 93 93 LEU C C 93 177.444 176.686 0.758 1
1 877 . 4 1 1 A 93 93 LEU CA C 93 55.187 53.697 1.490 1
1 878 . 4 1 1 A 93 93 LEU CB C 93 42.551 45.164 -2.613 1
1 879 . 4 1 1 A 93 93 LEU N N 93 124.440 122.269 2.171 1
1 880 . 4 1 1 A 94 94 THR H H 94 8.183 8.699 -0.516 1
1 881 . 4 1 1 A 94 94 THR HA H 94 4.444 3.997 0.447 1
1 886 . 4 1 1 A 94 94 THR C C 94 174.383 175.061 -0.678 1
1 887 . 4 1 1 A 94 94 THR CA C 94 61.515 65.533 -4.018 1
1 888 . 4 1 1 A 94 94 THR CB C 94 70.080 68.865 1.215 1
1 890 . 4 1 1 A 94 94 THR N N 94 114.261 118.147 -3.886 1
1 891 . 4 1 1 A 95 95 SER H H 95 8.394 7.987 0.407 1
1 892 . 4 1 1 A 95 95 SER HA H 95 4.502 4.223 0.279 1
1 895 . 4 1 1 A 95 95 SER C C 95 173.465 173.747 -0.282 1
1 896 . 4 1 1 A 95 95 SER CA C 95 58.383 59.132 -0.749 1
1 897 . 4 1 1 A 95 95 SER CB C 95 64.103 61.297 2.806 1
1 898 . 4 1 1 A 95 95 SER N N 95 117.878 112.879 4.999 1
1 1 . 5 1 1 A 2 2 GLY H H 2 8.575 8.219 0.356 1
1 2 . 5 1 1 A 2 2 GLY HA3 H 2 3.941 3.752 0.189 1
1 3 . 5 1 1 A 2 2 GLY CA C 2 45.109 45.222 -0.113 1
1 4 . 5 1 1 A 2 2 GLY N N 2 110.363 113.614 -3.251 1
1 5 . 5 1 1 A 3 3 HIS H H 3 8.398 7.934 0.464 1
1 7 . 5 1 1 A 3 3 HIS CA C 3 55.958 58.814 -2.856 1
1 8 . 5 1 1 A 3 3 HIS CB C 3 29.588 29.947 -0.359 1
1 9 . 5 1 1 A 3 3 HIS N N 3 118.248 121.314 -3.066 1
1 10 . 5 1 1 A 6 6 HIS HA H 6 4.637 4.710 -0.073 1
1 12 . 5 1 1 A 6 6 HIS CA C 6 55.805 53.891 1.914 1
1 13 . 5 1 1 A 6 6 HIS CB C 6 29.866 32.008 -2.142 1
1 14 . 5 1 1 A 7 7 HIS H H 7 8.775 8.127 0.648 1
1 15 . 5 1 1 A 7 7 HIS HA H 7 4.639 4.406 0.233 1
1 18 . 5 1 1 A 7 7 HIS CA C 7 55.959 55.544 0.415 1
1 19 . 5 1 1 A 7 7 HIS CB C 7 29.834 31.352 -1.518 1
1 20 . 5 1 1 A 7 7 HIS N N 7 120.965 116.550 4.415 1
1 21 . 5 1 1 A 8 8 HIS H H 8 8.591 8.216 0.375 1
1 22 . 5 1 1 A 8 8 HIS HA H 8 4.447 3.084 1.363 1
1 25 . 5 1 1 A 8 8 HIS CA C 8 56.009 58.330 -2.321 1
1 26 . 5 1 1 A 8 8 HIS CB C 8 32.890 29.323 3.567 1
1 27 . 5 1 1 A 8 8 HIS N N 8 122.251 119.328 2.923 1
1 28 . 5 1 1 A 9 9 LEU H H 9 8.430 7.719 0.711 1
1 29 . 5 1 1 A 9 9 LEU HA H 9 4.359 4.860 -0.501 1
1 39 . 5 1 1 A 9 9 LEU C C 9 177.241 175.657 1.584 1
1 40 . 5 1 1 A 9 9 LEU CA C 9 55.395 53.886 1.509 1
1 41 . 5 1 1 A 9 9 LEU CB C 9 42.317 47.458 -5.141 1
1 45 . 5 1 1 A 9 9 LEU N N 9 123.074 117.375 5.699 1
1 46 . 5 1 1 A 10 10 ASP H H 10 8.358 8.794 -0.436 1
1 47 . 5 1 1 A 10 10 ASP HA H 10 4.606 4.896 -0.290 1
1 50 . 5 1 1 A 10 10 ASP C C 10 176.490 175.975 0.515 1
1 51 . 5 1 1 A 10 10 ASP CA C 10 54.541 54.771 -0.230 1
1 52 . 5 1 1 A 10 10 ASP CB C 10 41.244 44.186 -2.942 1
1 53 . 5 1 1 A 10 10 ASP N N 10 121.299 122.718 -1.419 1
1 54 . 5 1 1 A 11 11 SER H H 11 8.212 7.747 0.465 1
1 55 . 5 1 1 A 11 11 SER HA H 11 4.367 4.462 -0.095 1
1 58 . 5 1 1 A 11 11 SER C C 11 174.210 175.407 -1.197 1
1 59 . 5 1 1 A 11 11 SER CA C 11 58.750 58.951 -0.201 1
1 60 . 5 1 1 A 11 11 SER CB C 11 63.743 64.706 -0.963 1
1 61 . 5 1 1 A 11 11 SER N N 11 115.863 115.803 0.060 1
1 62 . 5 1 1 A 12 12 TYR H H 12 8.207 8.682 -0.475 1
1 63 . 5 1 1 A 12 12 TYR HA H 12 4.562 4.348 0.214 1
1 70 . 5 1 1 A 12 12 TYR C C 12 175.105 176.245 -1.140 1
1 71 . 5 1 1 A 12 12 TYR CA C 12 57.994 59.225 -1.231 1
1 72 . 5 1 1 A 12 12 TYR CB C 12 38.821 38.023 0.798 1
1 77 . 5 1 1 A 12 12 TYR N N 12 121.901 122.369 -0.468 1
1 78 . 5 1 1 A 13 13 ALA H H 13 8.033 7.135 0.898 1
1 79 . 5 1 1 A 13 13 ALA HA H 13 4.552 4.333 0.219 1
1 83 . 5 1 1 A 13 13 ALA C C 13 174.997 176.086 -1.089 1
1 84 . 5 1 1 A 13 13 ALA CA C 13 50.585 50.916 -0.331 1
1 85 . 5 1 1 A 13 13 ALA CB C 13 18.488 18.287 0.201 1
1 86 . 5 1 1 A 13 13 ALA N N 13 126.839 125.803 1.036 1
1 87 . 5 1 1 A 14 14 PRO HA H 14 4.390 4.526 -0.136 1
1 94 . 5 1 1 A 14 14 PRO C C 14 176.894 177.139 -0.245 1
1 95 . 5 1 1 A 14 14 PRO CA C 14 63.199 63.155 0.044 1
1 96 . 5 1 1 A 14 14 PRO CB C 14 32.210 32.481 -0.271 1
1 99 . 5 1 1 A 15 15 ARG H H 15 8.492 8.879 -0.387 1
1 100 . 5 1 1 A 15 15 ARG HA H 15 4.357 4.278 0.079 1
1 104 . 5 1 1 A 15 15 ARG C C 15 176.040 176.456 -0.416 1
1 105 . 5 1 1 A 15 15 ARG CA C 15 56.029 57.506 -1.477 1
1 106 . 5 1 1 A 15 15 ARG CB C 15 31.097 30.594 0.503 1
1 108 . 5 1 1 A 15 15 ARG N N 15 121.148 120.684 0.464 1
1 109 . 5 1 1 A 16 16 ALA H H 16 8.511 7.411 1.100 1
1 110 . 5 1 1 A 16 16 ALA HA H 16 4.352 4.334 0.018 1
1 114 . 5 1 1 A 16 16 ALA C C 16 177.569 177.398 0.171 1
1 115 . 5 1 1 A 16 16 ALA CA C 16 52.771 53.006 -0.235 1
1 116 . 5 1 1 A 16 16 ALA CB C 16 19.291 19.453 -0.162 1
1 117 . 5 1 1 A 16 16 ALA N N 16 125.410 122.740 2.670 1
1 118 . 5 1 1 A 17 17 GLU H H 17 8.513 9.176 -0.663 1
1 119 . 5 1 1 A 17 17 GLU HA H 17 4.681 4.898 -0.217 1
1 124 . 5 1 1 A 17 17 GLU C C 17 176.040 176.344 -0.304 1
1 125 . 5 1 1 A 17 17 GLU CA C 17 56.240 54.663 1.577 1
1 126 . 5 1 1 A 17 17 GLU CB C 17 31.430 33.600 -2.170 1
1 128 . 5 1 1 A 17 17 GLU N N 17 120.135 118.215 1.920 1
1 129 . 5 1 1 A 20 20 LYS HA H 20 4.642 4.588 0.054 1
1 132 . 5 1 1 A 20 20 LYS C C 20 174.395 174.654 -0.259 1
1 133 . 5 1 1 A 20 20 LYS CA C 20 55.041 55.463 -0.422 1
1 134 . 5 1 1 A 20 20 LYS CB C 20 36.603 36.131 0.472 1
1 135 . 5 1 1 A 21 21 THR H H 21 8.278 8.544 -0.266 1
1 136 . 5 1 1 A 21 21 THR HA H 21 5.185 4.682 0.503 1
1 141 . 5 1 1 A 21 21 THR C C 21 174.123 173.386 0.737 1
1 142 . 5 1 1 A 21 21 THR CA C 21 62.206 62.557 -0.351 1
1 143 . 5 1 1 A 21 21 THR CB C 21 69.740 69.820 -0.080 1
1 145 . 5 1 1 A 21 21 THR N N 21 118.285 121.262 -2.977 1
1 146 . 5 1 1 A 22 22 PHE H H 22 9.552 9.231 0.321 1
1 147 . 5 1 1 A 22 22 PHE HA H 22 4.934 5.061 -0.127 1
1 155 . 5 1 1 A 22 22 PHE CA C 22 57.809 55.722 2.087 1
1 156 . 5 1 1 A 22 22 PHE CB C 22 43.018 44.190 -1.172 1
1 162 . 5 1 1 A 22 22 PHE N N 22 125.884 124.198 1.686 1
1 163 . 5 1 1 A 23 23 SER H H 23 8.489 8.493 -0.004 1
1 164 . 5 1 1 A 23 23 SER HA H 23 4.874 4.922 -0.048 1
1 167 . 5 1 1 A 23 23 SER CA C 23 57.308 57.084 0.224 1
1 168 . 5 1 1 A 23 23 SER CB C 23 65.134 66.104 -0.970 1
1 169 . 5 1 1 A 23 23 SER N N 23 116.064 114.420 1.644 1
1 170 . 5 1 1 A 24 24 TYR H H 24 8.561 8.492 0.069 1
1 171 . 5 1 1 A 24 24 TYR HA H 24 3.787 4.812 -1.025 1
1 178 . 5 1 1 A 24 24 TYR CA C 24 55.942 55.420 0.522 1
1 179 . 5 1 1 A 24 24 TYR CB C 24 39.190 41.277 -2.087 1
1 184 . 5 1 1 A 24 24 TYR N N 24 120.614 118.254 2.360 1
1 185 . 5 1 1 A 25 25 PRO HA H 25 3.195 4.592 -1.397 1
1 192 . 5 1 1 A 25 25 PRO CA C 25 61.641 63.148 -1.507 1
1 193 . 5 1 1 A 25 25 PRO CB C 25 33.950 32.681 1.269 1
1 196 . 5 1 1 A 29 29 LEU HA H 29 4.651 5.013 -0.362 1
1 199 . 5 1 1 A 29 29 LEU C C 29 175.676 174.131 1.545 1
1 200 . 5 1 1 A 29 29 LEU CA C 29 54.443 53.823 0.620 1
1 201 . 5 1 1 A 29 29 LEU CB C 29 43.096 46.549 -3.453 1
1 204 . 5 1 1 A 30 30 LEU H H 30 8.665 8.806 -0.141 1
1 205 . 5 1 1 A 30 30 LEU HA H 30 5.369 5.552 -0.183 1
1 212 . 5 1 1 A 30 30 LEU C C 30 176.370 175.750 0.620 1
1 213 . 5 1 1 A 30 30 LEU CA C 30 53.005 53.748 -0.743 1
1 214 . 5 1 1 A 30 30 LEU CB C 30 43.867 45.878 -2.011 1
1 217 . 5 1 1 A 30 30 LEU N N 30 126.293 125.512 0.781 1
1 218 . 5 1 1 A 31 31 LYS H H 31 9.288 9.082 0.206 1
1 219 . 5 1 1 A 31 31 LYS HA H 31 4.664 5.005 -0.341 1
1 228 . 5 1 1 A 31 31 LYS C C 31 173.995 174.920 -0.925 1
1 229 . 5 1 1 A 31 31 LYS CA C 31 54.758 54.416 0.342 1
1 230 . 5 1 1 A 31 31 LYS CB C 31 37.173 36.328 0.845 1
1 234 . 5 1 1 A 31 31 LYS N N 31 119.484 119.058 0.426 1
1 235 . 5 1 1 A 32 32 LEU H H 32 8.724 8.508 0.216 1
1 236 . 5 1 1 A 32 32 LEU HA H 32 4.972 4.900 0.072 1
1 246 . 5 1 1 A 32 32 LEU C C 32 177.274 175.604 1.670 1
1 247 . 5 1 1 A 32 32 LEU CA C 32 54.494 54.917 -0.423 1
1 248 . 5 1 1 A 32 32 LEU CB C 32 43.119 42.912 0.207 1
1 252 . 5 1 1 A 32 32 LEU N N 32 124.082 124.836 -0.754 1
1 253 . 5 1 1 A 33 33 HIS H H 33 9.361 9.223 0.138 1
1 254 . 5 1 1 A 33 33 HIS HA H 33 4.698 4.836 -0.138 1
1 257 . 5 1 1 A 33 33 HIS C C 33 174.092 173.923 0.169 1
1 258 . 5 1 1 A 33 33 HIS CA C 33 56.497 55.847 0.650 1
1 259 . 5 1 1 A 33 33 HIS CB C 33 32.274 33.827 -1.553 1
1 260 . 5 1 1 A 33 33 HIS N N 33 125.743 125.082 0.661 1
1 261 . 5 1 1 A 34 34 ASP H H 34 9.134 9.056 0.078 1
1 262 . 5 1 1 A 34 34 ASP HA H 34 4.146 3.982 0.164 1
1 265 . 5 1 1 A 34 34 ASP C C 34 174.644 175.048 -0.404 1
1 266 . 5 1 1 A 34 34 ASP CA C 34 55.976 54.935 1.041 1
1 267 . 5 1 1 A 34 34 ASP CB C 34 39.179 39.385 -0.206 1
1 268 . 5 1 1 A 34 34 ASP N N 34 128.890 126.488 2.402 1
1 269 . 5 1 1 A 35 35 GLU H H 35 8.648 8.480 0.168 1
1 270 . 5 1 1 A 35 35 GLU HA H 35 3.681 3.836 -0.155 1
1 275 . 5 1 1 A 35 35 GLU C C 35 174.234 174.830 -0.596 1
1 276 . 5 1 1 A 35 35 GLU CA C 35 57.346 58.068 -0.722 1
1 277 . 5 1 1 A 35 35 GLU CB C 35 27.735 28.013 -0.278 1
1 279 . 5 1 1 A 35 35 GLU N N 35 109.734 110.430 -0.696 1
1 280 . 5 1 1 A 36 36 ARG H H 36 7.710 7.762 -0.052 1
1 281 . 5 1 1 A 36 36 ARG HA H 36 4.515 5.008 -0.493 1
1 285 . 5 1 1 A 36 36 ARG C C 36 174.063 175.199 -1.136 1
1 286 . 5 1 1 A 36 36 ARG CA C 36 54.212 54.238 -0.026 1
1 287 . 5 1 1 A 36 36 ARG CB C 36 33.371 32.778 0.593 1
1 289 . 5 1 1 A 36 36 ARG N N 36 116.091 120.371 -4.280 1
1 290 . 5 1 1 A 37 37 VAL H H 37 8.803 8.619 0.184 1
1 291 . 5 1 1 A 37 37 VAL HA H 37 4.375 5.136 -0.761 1
1 299 . 5 1 1 A 37 37 VAL C C 37 174.388 174.616 -0.228 1
1 300 . 5 1 1 A 37 37 VAL CA C 37 62.620 60.174 2.446 1
1 301 . 5 1 1 A 37 37 VAL CB C 37 31.484 34.311 -2.827 1
1 304 . 5 1 1 A 37 37 VAL N N 37 122.430 118.574 3.856 1
1 305 . 5 1 1 A 38 38 LEU H H 38 8.966 8.966 0.000 1
1 306 . 5 1 1 A 38 38 LEU HA H 38 5.495 5.308 0.187 1
1 316 . 5 1 1 A 38 38 LEU C C 38 177.365 176.311 1.054 1
1 317 . 5 1 1 A 38 38 LEU CA C 38 52.624 53.468 -0.844 1
1 318 . 5 1 1 A 38 38 LEU CB C 38 46.189 45.584 0.605 1
1 322 . 5 1 1 A 38 38 LEU N N 38 125.739 126.598 -0.859 1
1 323 . 5 1 1 A 39 39 VAL H H 39 8.899 9.228 -0.329 1
1 324 . 5 1 1 A 39 39 VAL HA H 39 4.006 3.957 0.049 1
1 332 . 5 1 1 A 39 39 VAL C C 39 176.380 176.239 0.141 1
1 333 . 5 1 1 A 39 39 VAL CA C 39 63.763 63.406 0.357 1
1 334 . 5 1 1 A 39 39 VAL CB C 39 31.629 31.039 0.590 1
1 337 . 5 1 1 A 39 39 VAL N N 39 119.125 122.797 -3.672 1
1 338 . 5 1 1 A 40 40 ALA H H 40 9.755 8.959 0.796 1
1 339 . 5 1 1 A 40 40 ALA HA H 40 4.533 4.135 0.398 1
1 343 . 5 1 1 A 40 40 ALA C C 40 176.636 176.894 -0.258 1
1 344 . 5 1 1 A 40 40 ALA CA C 40 52.536 53.995 -1.459 1
1 345 . 5 1 1 A 40 40 ALA CB C 40 20.860 19.929 0.931 1
1 346 . 5 1 1 A 40 40 ALA N N 40 133.618 130.498 3.120 1
1 347 . 5 1 1 A 41 41 PHE H H 41 7.761 7.549 0.212 1
1 348 . 5 1 1 A 41 41 PHE HA H 41 4.299 5.117 -0.818 1
1 353 . 5 1 1 A 41 41 PHE C C 41 172.990 174.743 -1.753 1
1 354 . 5 1 1 A 41 41 PHE CA C 41 59.306 56.312 2.994 1
1 355 . 5 1 1 A 41 41 PHE CB C 41 42.621 42.721 -0.100 1
1 358 . 5 1 1 A 41 41 PHE N N 41 117.497 113.448 4.049 1
1 359 . 5 1 1 A 42 42 GLY H H 42 7.709 8.548 -0.839 1
1 360 . 5 1 1 A 42 42 GLY HA2 H 42 4.190 4.079 0.111 1
1 361 . 5 1 1 A 42 42 GLY HA3 H 42 3.327 4.148 -0.821 1
1 362 . 5 1 1 A 42 42 GLY C C 42 171.542 171.843 -0.301 1
1 363 . 5 1 1 A 42 42 GLY CA C 42 44.310 45.614 -1.304 1
1 364 . 5 1 1 A 42 42 GLY N N 42 114.790 109.063 5.727 1
1 365 . 5 1 1 A 43 43 GLN HA H 43 4.366 4.883 -0.517 1
1 372 . 5 1 1 A 43 43 GLN CA C 43 55.207 54.639 0.568 1
1 373 . 5 1 1 A 43 43 GLN CB C 43 30.347 31.393 -1.046 1
1 376 . 5 1 1 A 49 49 VAL HA H 49 3.386 3.968 -0.582 1
1 384 . 5 1 1 A 49 49 VAL C C 49 177.680 176.304 1.376 1
1 385 . 5 1 1 A 49 49 VAL CA C 49 64.730 63.181 1.549 1
1 386 . 5 1 1 A 49 49 VAL CB C 49 31.489 31.423 0.066 1
1 389 . 5 1 1 A 50 50 GLY H H 50 9.040 9.004 0.036 1
1 390 . 5 1 1 A 50 50 GLY HA2 H 50 4.505 3.950 0.555 1
1 391 . 5 1 1 A 50 50 GLY HA3 H 50 3.562 3.977 -0.415 1
1 392 . 5 1 1 A 50 50 GLY C C 50 175.034 174.313 0.721 1
1 393 . 5 1 1 A 50 50 GLY CA C 50 44.901 45.283 -0.382 1
1 394 . 5 1 1 A 50 50 GLY N N 50 115.994 114.537 1.457 1
1 395 . 5 1 1 A 51 51 HIS H H 51 8.228 7.937 0.291 1
1 396 . 5 1 1 A 51 51 HIS HA H 51 4.614 4.418 0.196 1
1 400 . 5 1 1 A 51 51 HIS C C 51 174.681 175.124 -0.443 1
1 401 . 5 1 1 A 51 51 HIS CA C 51 57.434 56.576 0.858 1
1 402 . 5 1 1 A 51 51 HIS CB C 51 32.934 31.148 1.786 1
1 404 . 5 1 1 A 51 51 HIS N N 51 120.280 119.951 0.329 1
1 405 . 5 1 1 A 52 52 ALA H H 52 9.229 9.184 0.045 1
1 406 . 5 1 1 A 52 52 ALA HA H 52 5.587 5.187 0.400 1
1 410 . 5 1 1 A 52 52 ALA C C 52 177.988 175.939 2.049 1
1 411 . 5 1 1 A 52 52 ALA CA C 52 50.053 50.213 -0.160 1
1 412 . 5 1 1 A 52 52 ALA CB C 52 22.023 21.852 0.171 1
1 413 . 5 1 1 A 52 52 ALA N N 52 121.598 123.835 -2.237 1
1 414 . 5 1 1 A 53 53 VAL HA H 53 3.473 3.825 -0.352 1
1 422 . 5 1 1 A 53 53 VAL C C 53 175.227 175.149 0.078 1
1 423 . 5 1 1 A 53 53 VAL CA C 53 63.914 62.211 1.703 1
1 424 . 5 1 1 A 53 53 VAL CB C 53 32.339 32.356 -0.017 1
1 427 . 5 1 1 A 54 54 LEU H H 54 9.067 9.150 -0.083 1
1 428 . 5 1 1 A 54 54 LEU HA H 54 4.599 4.475 0.124 1
1 434 . 5 1 1 A 54 54 LEU C C 54 178.208 176.507 1.701 1
1 435 . 5 1 1 A 54 54 LEU CA C 54 55.084 55.810 -0.726 1
1 436 . 5 1 1 A 54 54 LEU CB C 54 43.490 43.479 0.011 1
1 439 . 5 1 1 A 54 54 LEU N N 54 126.184 129.567 -3.383 1
1 440 . 5 1 1 A 55 55 ALA H H 55 7.665 7.479 0.186 1
1 441 . 5 1 1 A 55 55 ALA HA H 55 4.889 4.830 0.059 1
1 445 . 5 1 1 A 55 55 ALA C C 55 175.085 175.122 -0.037 1
1 446 . 5 1 1 A 55 55 ALA CA C 55 52.600 51.508 1.092 1
1 447 . 5 1 1 A 55 55 ALA CB C 55 21.847 22.891 -1.044 1
1 448 . 5 1 1 A 55 55 ALA N N 55 119.807 116.733 3.074 1
1 449 . 5 1 1 A 56 56 ILE H H 56 8.209 8.803 -0.594 1
1 450 . 5 1 1 A 56 56 ILE HA H 56 4.643 4.705 -0.062 1
1 460 . 5 1 1 A 56 56 ILE C C 56 176.001 176.296 -0.295 1
1 461 . 5 1 1 A 56 56 ILE CA C 56 59.817 60.063 -0.246 1
1 462 . 5 1 1 A 56 56 ILE CB C 56 41.035 40.674 0.361 1
1 466 . 5 1 1 A 56 56 ILE N N 56 119.114 119.044 0.070 1
1 467 . 5 1 1 A 57 57 ASN H H 57 10.090 9.602 0.488 1
1 468 . 5 1 1 A 57 57 ASN HA H 57 4.523 4.513 0.010 1
1 473 . 5 1 1 A 57 57 ASN C C 57 175.371 175.700 -0.329 1
1 474 . 5 1 1 A 57 57 ASN CA C 57 54.161 54.008 0.153 1
1 475 . 5 1 1 A 57 57 ASN CB C 57 36.953 36.385 0.568 1
1 476 . 5 1 1 A 57 57 ASN N N 57 128.487 126.165 2.322 1
1 478 . 5 1 1 A 58 58 GLY H H 58 9.200 8.286 0.914 1
1 479 . 5 1 1 A 58 58 GLY HA2 H 58 4.080 3.892 0.188 1
1 480 . 5 1 1 A 58 58 GLY HA3 H 58 3.513 3.897 -0.384 1
1 481 . 5 1 1 A 58 58 GLY C C 58 174.149 174.271 -0.122 1
1 482 . 5 1 1 A 58 58 GLY CA C 58 45.464 45.023 0.441 1
1 483 . 5 1 1 A 58 58 GLY N N 58 103.720 108.525 -4.805 1
1 484 . 5 1 1 A 59 59 MET H H 59 7.852 8.199 -0.347 1
1 485 . 5 1 1 A 59 59 MET HA H 59 4.801 4.337 0.464 1
1 490 . 5 1 1 A 59 59 MET C C 59 175.661 175.284 0.377 1
1 491 . 5 1 1 A 59 59 MET CA C 59 53.528 54.398 -0.870 1
1 492 . 5 1 1 A 59 59 MET CB C 59 33.623 31.839 1.784 1
1 494 . 5 1 1 A 59 59 MET N N 59 120.479 120.824 -0.345 1
1 495 . 5 1 1 A 60 60 ASP H H 60 8.931 8.761 0.170 1
1 496 . 5 1 1 A 60 60 ASP HA H 60 4.696 4.697 -0.001 1
1 499 . 5 1 1 A 60 60 ASP C C 60 176.608 175.605 1.003 1
1 500 . 5 1 1 A 60 60 ASP CA C 60 55.789 54.850 0.939 1
1 501 . 5 1 1 A 60 60 ASP CB C 60 40.793 41.397 -0.604 1
1 502 . 5 1 1 A 60 60 ASP N N 60 127.746 126.524 1.222 1
1 503 . 5 1 1 A 61 61 VAL H H 61 7.734 8.860 -1.126 1
1 504 . 5 1 1 A 61 61 VAL HA H 61 4.216 4.880 -0.664 1
1 512 . 5 1 1 A 61 61 VAL C C 61 174.993 174.187 0.806 1
1 513 . 5 1 1 A 61 61 VAL CA C 61 60.816 60.673 0.143 1
1 514 . 5 1 1 A 61 61 VAL CB C 61 32.006 33.319 -1.313 1
1 517 . 5 1 1 A 61 61 VAL N N 61 117.791 120.968 -3.177 1
1 518 . 5 1 1 A 62 62 ASN H H 62 9.011 9.078 -0.067 1
1 519 . 5 1 1 A 62 62 ASN HA H 62 5.044 5.002 0.042 1
1 524 . 5 1 1 A 62 62 ASN C C 62 175.375 175.611 -0.236 1
1 525 . 5 1 1 A 62 62 ASN CA C 62 51.604 52.383 -0.779 1
1 526 . 5 1 1 A 62 62 ASN CB C 62 39.209 39.451 -0.242 1
1 527 . 5 1 1 A 62 62 ASN N N 62 124.361 124.822 -0.461 1
1 529 . 5 1 1 A 63 63 GLY H H 63 8.699 8.901 -0.202 1
1 530 . 5 1 1 A 63 63 GLY HA2 H 63 4.267 3.845 0.422 1
1 531 . 5 1 1 A 63 63 GLY HA3 H 63 3.760 3.876 -0.116 1
1 532 . 5 1 1 A 63 63 GLY C C 63 173.666 174.393 -0.727 1
1 533 . 5 1 1 A 63 63 GLY CA C 63 47.919 47.334 0.585 1
1 534 . 5 1 1 A 63 63 GLY N N 63 113.974 115.912 -1.938 1
1 535 . 5 1 1 A 64 64 ARG H H 64 8.595 8.177 0.418 1
1 536 . 5 1 1 A 64 64 ARG HA H 64 4.144 4.439 -0.295 1
1 544 . 5 1 1 A 64 64 ARG C C 64 175.001 174.965 0.036 1
1 545 . 5 1 1 A 64 64 ARG CA C 64 55.449 55.201 0.248 1
1 546 . 5 1 1 A 64 64 ARG CB C 64 31.649 30.908 0.741 1
1 549 . 5 1 1 A 64 64 ARG N N 64 124.516 121.848 2.668 1
1 551 . 5 1 1 A 65 65 TYR H H 65 7.959 7.525 0.434 1
1 552 . 5 1 1 A 65 65 TYR HA H 65 5.515 5.416 0.099 1
1 559 . 5 1 1 A 65 65 TYR C C 65 176.353 175.905 0.448 1
1 560 . 5 1 1 A 65 65 TYR CA C 65 57.143 56.583 0.560 1
1 561 . 5 1 1 A 65 65 TYR CB C 65 42.338 42.222 0.116 1
1 566 . 5 1 1 A 65 65 TYR N N 65 119.872 119.354 0.518 1
1 567 . 5 1 1 A 66 66 THR H H 66 9.651 8.858 0.793 1
1 568 . 5 1 1 A 66 66 THR HA H 66 4.418 4.425 -0.007 1
1 573 . 5 1 1 A 66 66 THR C C 66 177.773 175.986 1.787 1
1 574 . 5 1 1 A 66 66 THR CA C 66 61.270 61.155 0.115 1
1 575 . 5 1 1 A 66 66 THR CB C 66 71.305 70.567 0.738 1
1 577 . 5 1 1 A 66 66 THR N N 66 111.062 115.379 -4.317 1
1 578 . 5 1 1 A 67 67 ALA H H 67 9.388 8.940 0.448 1
1 579 . 5 1 1 A 67 67 ALA HA H 67 4.109 3.973 0.136 1
1 583 . 5 1 1 A 67 67 ALA C C 67 177.993 179.480 -1.487 1
1 584 . 5 1 1 A 67 67 ALA CA C 67 55.247 55.354 -0.107 1
1 585 . 5 1 1 A 67 67 ALA CB C 67 18.955 18.234 0.721 1
1 586 . 5 1 1 A 67 67 ALA N N 67 125.051 124.355 0.696 1
1 587 . 5 1 1 A 68 68 ASP H H 68 7.980 7.869 0.111 1
1 588 . 5 1 1 A 68 68 ASP HA H 68 4.674 4.576 0.098 1
1 591 . 5 1 1 A 68 68 ASP C C 68 176.691 176.132 0.559 1
1 592 . 5 1 1 A 68 68 ASP CA C 68 52.824 54.777 -1.953 1
1 593 . 5 1 1 A 68 68 ASP CB C 68 39.776 41.217 -1.441 1
1 594 . 5 1 1 A 68 68 ASP N N 68 111.027 116.959 -5.932 1
1 595 . 5 1 1 A 69 69 GLY H H 69 8.052 7.778 0.274 1
1 596 . 5 1 1 A 69 69 GLY HA2 H 69 4.154 4.014 0.140 1
1 597 . 5 1 1 A 69 69 GLY HA3 H 69 3.569 4.042 -0.473 1
1 598 . 5 1 1 A 69 69 GLY C C 69 174.525 174.603 -0.078 1
1 599 . 5 1 1 A 69 69 GLY CA C 69 46.273 44.871 1.402 1
1 600 . 5 1 1 A 69 69 GLY N N 69 107.666 107.493 0.173 1
1 601 . 5 1 1 A 70 70 LYS H H 70 7.816 7.537 0.279 1
1 602 . 5 1 1 A 70 70 LYS HA H 70 4.639 4.341 0.298 1
1 611 . 5 1 1 A 70 70 LYS C C 70 176.713 176.549 0.164 1
1 612 . 5 1 1 A 70 70 LYS CA C 70 54.753 56.606 -1.853 1
1 613 . 5 1 1 A 70 70 LYS CB C 70 32.589 33.379 -0.790 1
1 617 . 5 1 1 A 70 70 LYS N N 70 120.047 120.688 -0.641 1
1 618 . 5 1 1 A 71 71 GLU H H 71 9.375 8.635 0.740 1
1 619 . 5 1 1 A 71 71 GLU HA H 71 4.366 4.297 0.069 1
1 624 . 5 1 1 A 71 71 GLU C C 71 177.910 177.901 0.009 1
1 625 . 5 1 1 A 71 71 GLU CA C 71 58.297 56.963 1.334 1
1 626 . 5 1 1 A 71 71 GLU CB C 71 29.572 31.125 -1.553 1
1 628 . 5 1 1 A 71 71 GLU N N 71 124.416 125.282 -0.866 1
1 629 . 5 1 1 A 72 72 VAL H H 72 9.028 8.785 0.243 1
1 630 . 5 1 1 A 72 72 VAL HA H 72 3.258 3.713 -0.455 1
1 638 . 5 1 1 A 72 72 VAL C C 72 177.159 177.201 -0.042 1
1 639 . 5 1 1 A 72 72 VAL CA C 72 67.561 66.701 0.860 1
1 640 . 5 1 1 A 72 72 VAL CB C 72 31.962 31.440 0.522 1
1 643 . 5 1 1 A 72 72 VAL N N 72 128.216 126.002 2.214 1
1 644 . 5 1 1 A 73 73 LEU H H 73 9.223 8.111 1.112 1
1 645 . 5 1 1 A 73 73 LEU HA H 73 3.972 3.918 0.054 1
1 655 . 5 1 1 A 73 73 LEU C C 73 180.513 179.223 1.290 1
1 656 . 5 1 1 A 73 73 LEU CA C 73 58.658 58.102 0.556 1
1 657 . 5 1 1 A 73 73 LEU CB C 73 40.458 40.882 -0.424 1
1 661 . 5 1 1 A 73 73 LEU N N 73 117.712 120.119 -2.407 1
1 662 . 5 1 1 A 74 74 GLU H H 74 7.456 8.047 -0.591 1
1 663 . 5 1 1 A 74 74 GLU HA H 74 4.133 3.999 0.134 1
1 668 . 5 1 1 A 74 74 GLU C C 74 179.695 178.646 1.049 1
1 669 . 5 1 1 A 74 74 GLU CA C 74 59.092 59.461 -0.369 1
1 670 . 5 1 1 A 74 74 GLU CB C 74 29.845 29.399 0.446 1
1 672 . 5 1 1 A 74 74 GLU N N 74 119.823 119.102 0.721 1
1 673 . 5 1 1 A 75 75 TYR H H 75 8.706 8.321 0.385 1
1 674 . 5 1 1 A 75 75 TYR HA H 75 4.047 4.198 -0.151 1
1 681 . 5 1 1 A 75 75 TYR C C 75 179.408 176.835 2.573 1
1 682 . 5 1 1 A 75 75 TYR CA C 75 62.106 61.596 0.510 1
1 683 . 5 1 1 A 75 75 TYR CB C 75 39.275 38.841 0.434 1
1 688 . 5 1 1 A 75 75 TYR N N 75 123.223 122.279 0.944 1
1 689 . 5 1 1 A 76 76 LEU H H 76 8.586 8.683 -0.097 1
1 690 . 5 1 1 A 76 76 LEU HA H 76 4.458 3.947 0.511 1
1 700 . 5 1 1 A 76 76 LEU C C 76 178.328 179.280 -0.952 1
1 701 . 5 1 1 A 76 76 LEU CA C 76 55.395 57.780 -2.385 1
1 702 . 5 1 1 A 76 76 LEU CB C 76 41.315 41.651 -0.336 1
1 706 . 5 1 1 A 76 76 LEU N N 76 113.641 119.147 -5.506 1
1 707 . 5 1 1 A 77 77 GLY H H 77 7.868 8.132 -0.264 1
1 708 . 5 1 1 A 77 77 GLY HA2 H 77 4.541 3.896 0.645 1
1 709 . 5 1 1 A 77 77 GLY HA3 H 77 3.946 3.911 0.035 1
1 710 . 5 1 1 A 77 77 GLY C C 77 172.507 174.782 -2.275 1
1 711 . 5 1 1 A 77 77 GLY CA C 77 45.274 46.758 -1.484 1
1 712 . 5 1 1 A 77 77 GLY N N 77 108.897 106.589 2.308 1
1 713 . 5 1 1 A 78 78 ASN H H 78 7.108 7.683 -0.575 1
1 714 . 5 1 1 A 78 78 ASN HA H 78 5.208 4.805 0.403 1
1 719 . 5 1 1 A 78 78 ASN C C 78 174.475 175.267 -0.792 1
1 720 . 5 1 1 A 78 78 ASN CA C 78 49.514 51.025 -1.511 1
1 721 . 5 1 1 A 78 78 ASN CB C 78 39.531 39.553 -0.022 1
1 722 . 5 1 1 A 78 78 ASN N N 78 119.451 119.517 -0.066 1
1 724 . 5 1 1 A 79 79 PRO HA H 79 3.589 3.278 0.311 1
1 731 . 5 1 1 A 79 79 PRO C C 79 177.877 177.184 0.693 1
1 732 . 5 1 1 A 79 79 PRO CA C 79 64.697 63.484 1.213 1
1 733 . 5 1 1 A 79 79 PRO CB C 79 30.935 31.265 -0.330 1
1 736 . 5 1 1 A 80 80 ALA H H 80 7.842 7.992 -0.150 1
1 737 . 5 1 1 A 80 80 ALA HA H 80 4.197 4.093 0.104 1
1 741 . 5 1 1 A 80 80 ALA C C 80 178.566 177.507 1.059 1
1 742 . 5 1 1 A 80 80 ALA CA C 80 53.801 53.934 -0.133 1
1 743 . 5 1 1 A 80 80 ALA CB C 80 18.366 18.315 0.051 1
1 744 . 5 1 1 A 80 80 ALA N N 80 119.231 120.526 -1.295 1
1 745 . 5 1 1 A 81 81 ASN H H 81 7.714 7.885 -0.171 1
1 746 . 5 1 1 A 81 81 ASN HA H 81 4.662 4.986 -0.324 1
1 751 . 5 1 1 A 81 81 ASN C C 81 172.714 175.556 -2.842 1
1 752 . 5 1 1 A 81 81 ASN CA C 81 52.960 51.893 1.067 1
1 753 . 5 1 1 A 81 81 ASN CB C 81 37.946 39.111 -1.165 1
1 754 . 5 1 1 A 81 81 ASN N N 81 113.680 116.121 -2.441 1
1 756 . 5 1 1 A 82 82 TYR H H 82 7.299 7.691 -0.392 1
1 757 . 5 1 1 A 82 82 TYR HA H 82 4.283 4.603 -0.320 1
1 763 . 5 1 1 A 82 82 TYR C C 82 174.383 176.415 -2.032 1
1 764 . 5 1 1 A 82 82 TYR CA C 82 57.061 60.937 -3.876 1
1 765 . 5 1 1 A 82 82 TYR CB C 82 39.447 37.471 1.976 1
1 770 . 5 1 1 A 82 82 TYR N N 82 118.625 119.573 -0.948 1
1 771 . 5 1 1 A 83 83 PRO HA H 83 4.381 4.833 -0.452 1
1 778 . 5 1 1 A 83 83 PRO CA C 83 62.946 62.778 0.168 1
1 779 . 5 1 1 A 83 83 PRO CB C 83 32.088 31.846 0.242 1
1 782 . 5 1 1 A 84 84 VAL HA H 84 4.956 4.919 0.037 1
1 790 . 5 1 1 A 84 84 VAL CA C 84 59.200 59.618 -0.418 1
1 791 . 5 1 1 A 84 84 VAL CB C 84 35.235 36.079 -0.844 1
1 794 . 5 1 1 A 85 85 SER H H 85 8.491 8.862 -0.371 1
1 795 . 5 1 1 A 85 85 SER HA H 85 5.655 4.960 0.695 1
1 798 . 5 1 1 A 85 85 SER C C 85 174.729 174.043 0.686 1
1 799 . 5 1 1 A 85 85 SER CA C 85 56.679 58.587 -1.908 1
1 800 . 5 1 1 A 85 85 SER CB C 85 64.021 63.936 0.085 1
1 801 . 5 1 1 A 85 85 SER N N 85 121.531 119.679 1.852 1
1 802 . 5 1 1 A 86 86 ILE H H 86 9.318 9.140 0.178 1
1 803 . 5 1 1 A 86 86 ILE HA H 86 4.803 4.806 -0.003 1
1 813 . 5 1 1 A 86 86 ILE C C 86 173.918 174.247 -0.329 1
1 814 . 5 1 1 A 86 86 ILE CA C 86 60.802 60.198 0.604 1
1 815 . 5 1 1 A 86 86 ILE CB C 86 41.352 42.304 -0.952 1
1 819 . 5 1 1 A 86 86 ILE N N 86 126.689 123.804 2.885 1
1 820 . 5 1 1 A 88 88 PHE HA H 88 5.866 5.541 0.325 1
1 826 . 5 1 1 A 88 88 PHE C C 88 175.891 175.737 0.154 1
1 827 . 5 1 1 A 88 88 PHE CA C 88 56.349 56.125 0.224 1
1 828 . 5 1 1 A 88 88 PHE CB C 88 44.020 42.932 1.088 1
1 832 . 5 1 1 A 89 89 GLY H H 89 8.913 8.648 0.265 1
1 833 . 5 1 1 A 89 89 GLY HA2 H 89 4.090 4.268 -0.178 1
1 834 . 5 1 1 A 89 89 GLY HA3 H 89 4.090 4.312 -0.222 1
1 835 . 5 1 1 A 89 89 GLY C C 89 171.617 171.900 -0.283 1
1 836 . 5 1 1 A 89 89 GLY CA C 89 45.684 45.782 -0.098 1
1 837 . 5 1 1 A 89 89 GLY N N 89 105.946 108.256 -2.310 1
1 838 . 5 1 1 A 90 90 ARG H H 90 8.880 8.595 0.285 1
1 839 . 5 1 1 A 90 90 ARG HA H 90 4.628 4.322 0.306 1
1 846 . 5 1 1 A 90 90 ARG CA C 90 54.341 54.284 0.057 1
1 847 . 5 1 1 A 90 90 ARG CB C 90 30.326 29.749 0.577 1
1 850 . 5 1 1 A 90 90 ARG N N 90 123.099 120.562 2.537 1
1 851 . 5 1 1 A 91 91 PRO HA H 91 4.390 4.494 -0.104 1
1 858 . 5 1 1 A 91 91 PRO CA C 91 62.994 62.874 0.120 1
1 859 . 5 1 1 A 91 91 PRO CB C 91 32.136 31.840 0.296 1
1 862 . 5 1 1 A 92 92 ARG H H 92 8.506 8.393 0.113 1
1 863 . 5 1 1 A 92 92 ARG HA H 92 4.321 4.398 -0.077 1
1 867 . 5 1 1 A 92 92 ARG C C 92 176.279 174.912 1.367 1
1 868 . 5 1 1 A 92 92 ARG CA C 92 56.320 56.285 0.035 1
1 869 . 5 1 1 A 92 92 ARG CB C 92 30.937 31.017 -0.080 1
1 871 . 5 1 1 A 92 92 ARG N N 92 121.873 122.453 -0.580 1
1 872 . 5 1 1 A 93 93 LEU H H 93 8.537 8.317 0.220 1
1 873 . 5 1 1 A 93 93 LEU HA H 93 4.479 4.735 -0.256 1
1 876 . 5 1 1 A 93 93 LEU C C 93 177.444 177.567 -0.123 1
1 877 . 5 1 1 A 93 93 LEU CA C 93 55.187 52.117 3.070 1
1 878 . 5 1 1 A 93 93 LEU CB C 93 42.551 44.232 -1.681 1
1 879 . 5 1 1 A 93 93 LEU N N 93 124.440 125.264 -0.824 1
1 880 . 5 1 1 A 94 94 THR H H 94 8.183 8.363 -0.180 1
1 881 . 5 1 1 A 94 94 THR HA H 94 4.444 3.906 0.538 1
1 886 . 5 1 1 A 94 94 THR C C 94 174.383 175.467 -1.084 1
1 887 . 5 1 1 A 94 94 THR CA C 94 61.515 65.654 -4.139 1
1 888 . 5 1 1 A 94 94 THR CB C 94 70.080 68.347 1.733 1
1 890 . 5 1 1 A 94 94 THR N N 94 114.261 115.088 -0.827 1
1 891 . 5 1 1 A 95 95 SER H H 95 8.394 7.875 0.519 1
1 892 . 5 1 1 A 95 95 SER HA H 95 4.502 4.426 0.076 1
1 895 . 5 1 1 A 95 95 SER C C 95 173.465 174.821 -1.356 1
1 896 . 5 1 1 A 95 95 SER CA C 95 58.383 59.697 -1.314 1
1 897 . 5 1 1 A 95 95 SER CB C 95 64.103 64.138 -0.035 1
1 898 . 5 1 1 A 95 95 SER N N 95 117.878 117.827 0.051 1
1 1 . 6 1 1 A 2 2 GLY H H 2 8.575 8.415 0.160 1
1 2 . 6 1 1 A 2 2 GLY HA3 H 2 3.941 4.039 -0.098 1
1 3 . 6 1 1 A 2 2 GLY CA C 2 45.109 45.789 -0.680 1
1 4 . 6 1 1 A 2 2 GLY N N 2 110.363 111.034 -0.671 1
1 5 . 6 1 1 A 3 3 HIS H H 3 8.398 7.161 1.237 1
1 7 . 6 1 1 A 3 3 HIS CA C 3 55.958 56.429 -0.471 1
1 8 . 6 1 1 A 3 3 HIS CB C 3 29.588 30.302 -0.714 1
1 9 . 6 1 1 A 3 3 HIS N N 3 118.248 118.998 -0.750 1
1 10 . 6 1 1 A 6 6 HIS HA H 6 4.637 4.465 0.172 1
1 12 . 6 1 1 A 6 6 HIS CA C 6 55.805 57.842 -2.037 1
1 13 . 6 1 1 A 6 6 HIS CB C 6 29.866 30.434 -0.568 1
1 14 . 6 1 1 A 7 7 HIS H H 7 8.775 8.364 0.411 1
1 15 . 6 1 1 A 7 7 HIS HA H 7 4.639 4.672 -0.033 1
1 18 . 6 1 1 A 7 7 HIS CA C 7 55.959 55.900 0.059 1
1 19 . 6 1 1 A 7 7 HIS CB C 7 29.834 32.317 -2.483 1
1 20 . 6 1 1 A 7 7 HIS N N 7 120.965 125.534 -4.569 1
1 21 . 6 1 1 A 8 8 HIS H H 8 8.591 7.951 0.640 1
1 22 . 6 1 1 A 8 8 HIS HA H 8 4.447 4.943 -0.496 1
1 25 . 6 1 1 A 8 8 HIS CA C 8 56.009 54.038 1.971 1
1 26 . 6 1 1 A 8 8 HIS CB C 8 32.890 31.617 1.273 1
1 27 . 6 1 1 A 8 8 HIS N N 8 122.251 116.390 5.861 1
1 28 . 6 1 1 A 9 9 LEU H H 9 8.430 8.616 -0.186 1
1 29 . 6 1 1 A 9 9 LEU HA H 9 4.359 4.060 0.299 1
1 39 . 6 1 1 A 9 9 LEU C C 9 177.241 177.636 -0.395 1
1 40 . 6 1 1 A 9 9 LEU CA C 9 55.395 55.913 -0.518 1
1 41 . 6 1 1 A 9 9 LEU CB C 9 42.317 43.711 -1.394 1
1 45 . 6 1 1 A 9 9 LEU N N 9 123.074 121.244 1.830 1
1 46 . 6 1 1 A 10 10 ASP H H 10 8.358 8.953 -0.595 1
1 47 . 6 1 1 A 10 10 ASP HA H 10 4.606 4.206 0.400 1
1 50 . 6 1 1 A 10 10 ASP C C 10 176.490 176.756 -0.266 1
1 51 . 6 1 1 A 10 10 ASP CA C 10 54.541 57.486 -2.945 1
1 52 . 6 1 1 A 10 10 ASP CB C 10 41.244 40.497 0.747 1
1 53 . 6 1 1 A 10 10 ASP N N 10 121.299 126.798 -5.499 1
1 54 . 6 1 1 A 11 11 SER H H 11 8.212 7.875 0.337 1
1 55 . 6 1 1 A 11 11 SER HA H 11 4.367 4.531 -0.164 1
1 58 . 6 1 1 A 11 11 SER C C 11 174.210 173.910 0.300 1
1 59 . 6 1 1 A 11 11 SER CA C 11 58.750 58.832 -0.082 1
1 60 . 6 1 1 A 11 11 SER CB C 11 63.743 64.153 -0.410 1
1 61 . 6 1 1 A 11 11 SER N N 11 115.863 114.650 1.213 1
1 62 . 6 1 1 A 12 12 TYR H H 12 8.207 8.404 -0.197 1
1 63 . 6 1 1 A 12 12 TYR HA H 12 4.562 4.653 -0.091 1
1 70 . 6 1 1 A 12 12 TYR C C 12 175.105 175.077 0.028 1
1 71 . 6 1 1 A 12 12 TYR CA C 12 57.994 57.776 0.218 1
1 72 . 6 1 1 A 12 12 TYR CB C 12 38.821 39.577 -0.756 1
1 77 . 6 1 1 A 12 12 TYR N N 12 121.901 121.277 0.624 1
1 78 . 6 1 1 A 13 13 ALA H H 13 8.033 8.890 -0.857 1
1 79 . 6 1 1 A 13 13 ALA HA H 13 4.552 4.593 -0.041 1
1 83 . 6 1 1 A 13 13 ALA C C 13 174.997 176.772 -1.775 1
1 84 . 6 1 1 A 13 13 ALA CA C 13 50.585 50.100 0.485 1
1 85 . 6 1 1 A 13 13 ALA CB C 13 18.488 21.554 -3.066 1
1 86 . 6 1 1 A 13 13 ALA N N 13 126.839 121.404 5.435 1
1 87 . 6 1 1 A 14 14 PRO HA H 14 4.390 4.371 0.019 1
1 94 . 6 1 1 A 14 14 PRO C C 14 176.894 177.414 -0.520 1
1 95 . 6 1 1 A 14 14 PRO CA C 14 63.199 64.794 -1.595 1
1 96 . 6 1 1 A 14 14 PRO CB C 14 32.210 32.068 0.142 1
1 99 . 6 1 1 A 15 15 ARG H H 15 8.492 8.340 0.152 1
1 100 . 6 1 1 A 15 15 ARG HA H 15 4.357 4.618 -0.261 1
1 104 . 6 1 1 A 15 15 ARG C C 15 176.040 175.314 0.726 1
1 105 . 6 1 1 A 15 15 ARG CA C 15 56.029 55.507 0.522 1
1 106 . 6 1 1 A 15 15 ARG CB C 15 31.097 31.562 -0.465 1
1 108 . 6 1 1 A 15 15 ARG N N 15 121.148 114.476 6.672 1
1 109 . 6 1 1 A 16 16 ALA H H 16 8.511 7.716 0.795 1
1 110 . 6 1 1 A 16 16 ALA HA H 16 4.352 4.769 -0.417 1
1 114 . 6 1 1 A 16 16 ALA C C 16 177.569 176.766 0.803 1
1 115 . 6 1 1 A 16 16 ALA CA C 16 52.771 50.951 1.820 1
1 116 . 6 1 1 A 16 16 ALA CB C 16 19.291 22.783 -3.492 1
1 117 . 6 1 1 A 16 16 ALA N N 16 125.410 120.915 4.495 1
1 118 . 6 1 1 A 17 17 GLU H H 17 8.513 9.516 -1.003 1
1 119 . 6 1 1 A 17 17 GLU HA H 17 4.681 4.675 0.006 1
1 124 . 6 1 1 A 17 17 GLU C C 17 176.040 176.424 -0.384 1
1 125 . 6 1 1 A 17 17 GLU CA C 17 56.240 55.889 0.351 1
1 126 . 6 1 1 A 17 17 GLU CB C 17 31.430 29.550 1.880 1
1 128 . 6 1 1 A 17 17 GLU N N 17 120.135 120.042 0.093 1
1 129 . 6 1 1 A 20 20 LYS HA H 20 4.642 4.815 -0.173 1
1 132 . 6 1 1 A 20 20 LYS C C 20 174.395 175.937 -1.542 1
1 133 . 6 1 1 A 20 20 LYS CA C 20 55.041 54.528 0.513 1
1 134 . 6 1 1 A 20 20 LYS CB C 20 36.603 36.550 0.053 1
1 135 . 6 1 1 A 21 21 THR H H 21 8.278 8.263 0.015 1
1 136 . 6 1 1 A 21 21 THR HA H 21 5.185 4.762 0.423 1
1 141 . 6 1 1 A 21 21 THR C C 21 174.123 173.950 0.173 1
1 142 . 6 1 1 A 21 21 THR CA C 21 62.206 61.586 0.620 1
1 143 . 6 1 1 A 21 21 THR CB C 21 69.740 70.057 -0.317 1
1 145 . 6 1 1 A 21 21 THR N N 21 118.285 113.141 5.144 1
1 146 . 6 1 1 A 22 22 PHE H H 22 9.552 9.271 0.281 1
1 147 . 6 1 1 A 22 22 PHE HA H 22 4.934 5.066 -0.132 1
1 155 . 6 1 1 A 22 22 PHE CA C 22 57.809 55.850 1.959 1
1 156 . 6 1 1 A 22 22 PHE CB C 22 43.018 44.076 -1.058 1
1 162 . 6 1 1 A 22 22 PHE N N 22 125.884 120.649 5.235 1
1 163 . 6 1 1 A 23 23 SER H H 23 8.489 8.523 -0.034 1
1 164 . 6 1 1 A 23 23 SER HA H 23 4.874 5.278 -0.404 1
1 167 . 6 1 1 A 23 23 SER CA C 23 57.308 57.215 0.093 1
1 168 . 6 1 1 A 23 23 SER CB C 23 65.134 67.493 -2.359 1
1 169 . 6 1 1 A 23 23 SER N N 23 116.064 114.653 1.411 1
1 170 . 6 1 1 A 24 24 TYR H H 24 8.561 8.181 0.380 1
1 171 . 6 1 1 A 24 24 TYR HA H 24 3.787 4.792 -1.005 1
1 178 . 6 1 1 A 24 24 TYR CA C 24 55.942 55.778 0.164 1
1 179 . 6 1 1 A 24 24 TYR CB C 24 39.190 40.965 -1.775 1
1 184 . 6 1 1 A 24 24 TYR N N 24 120.614 118.438 2.176 1
1 185 . 6 1 1 A 25 25 PRO HA H 25 3.195 4.299 -1.104 1
1 192 . 6 1 1 A 25 25 PRO CA C 25 61.641 65.746 -4.105 1
1 193 . 6 1 1 A 25 25 PRO CB C 25 33.950 31.806 2.144 1
1 196 . 6 1 1 A 29 29 LEU HA H 29 4.651 4.942 -0.291 1
1 199 . 6 1 1 A 29 29 LEU C C 29 175.676 174.048 1.628 1
1 200 . 6 1 1 A 29 29 LEU CA C 29 54.443 53.882 0.561 1
1 201 . 6 1 1 A 29 29 LEU CB C 29 43.096 46.375 -3.279 1
1 204 . 6 1 1 A 30 30 LEU H H 30 8.665 8.759 -0.094 1
1 205 . 6 1 1 A 30 30 LEU HA H 30 5.369 5.537 -0.168 1
1 212 . 6 1 1 A 30 30 LEU C C 30 176.370 175.256 1.114 1
1 213 . 6 1 1 A 30 30 LEU CA C 30 53.005 53.723 -0.718 1
1 214 . 6 1 1 A 30 30 LEU CB C 30 43.867 45.901 -2.034 1
1 217 . 6 1 1 A 30 30 LEU N N 30 126.293 125.246 1.047 1
1 218 . 6 1 1 A 31 31 LYS H H 31 9.288 9.004 0.284 1
1 219 . 6 1 1 A 31 31 LYS HA H 31 4.664 5.039 -0.375 1
1 228 . 6 1 1 A 31 31 LYS C C 31 173.995 174.626 -0.631 1
1 229 . 6 1 1 A 31 31 LYS CA C 31 54.758 54.450 0.308 1
1 230 . 6 1 1 A 31 31 LYS CB C 31 37.173 36.245 0.928 1
1 234 . 6 1 1 A 31 31 LYS N N 31 119.484 119.376 0.108 1
1 235 . 6 1 1 A 32 32 LEU H H 32 8.724 8.535 0.189 1
1 236 . 6 1 1 A 32 32 LEU HA H 32 4.972 4.905 0.067 1
1 246 . 6 1 1 A 32 32 LEU C C 32 177.274 175.618 1.656 1
1 247 . 6 1 1 A 32 32 LEU CA C 32 54.494 54.628 -0.134 1
1 248 . 6 1 1 A 32 32 LEU CB C 32 43.119 43.453 -0.334 1
1 252 . 6 1 1 A 32 32 LEU N N 32 124.082 124.235 -0.153 1
1 253 . 6 1 1 A 33 33 HIS H H 33 9.361 9.256 0.105 1
1 254 . 6 1 1 A 33 33 HIS HA H 33 4.698 4.845 -0.147 1
1 257 . 6 1 1 A 33 33 HIS C C 33 174.092 173.934 0.158 1
1 258 . 6 1 1 A 33 33 HIS CA C 33 56.497 55.764 0.733 1
1 259 . 6 1 1 A 33 33 HIS CB C 33 32.274 33.798 -1.524 1
1 260 . 6 1 1 A 33 33 HIS N N 33 125.743 124.849 0.894 1
1 261 . 6 1 1 A 34 34 ASP H H 34 9.134 8.987 0.147 1
1 262 . 6 1 1 A 34 34 ASP HA H 34 4.146 3.975 0.171 1
1 265 . 6 1 1 A 34 34 ASP C C 34 174.644 175.161 -0.517 1
1 266 . 6 1 1 A 34 34 ASP CA C 34 55.976 54.902 1.074 1
1 267 . 6 1 1 A 34 34 ASP CB C 34 39.179 39.342 -0.163 1
1 268 . 6 1 1 A 34 34 ASP N N 34 128.890 126.342 2.548 1
1 269 . 6 1 1 A 35 35 GLU H H 35 8.648 8.694 -0.046 1
1 270 . 6 1 1 A 35 35 GLU HA H 35 3.681 3.988 -0.307 1
1 275 . 6 1 1 A 35 35 GLU C C 35 174.234 175.155 -0.921 1
1 276 . 6 1 1 A 35 35 GLU CA C 35 57.346 57.328 0.018 1
1 277 . 6 1 1 A 35 35 GLU CB C 35 27.735 27.363 0.372 1
1 279 . 6 1 1 A 35 35 GLU N N 35 109.734 116.316 -6.582 1
1 280 . 6 1 1 A 36 36 ARG H H 36 7.710 7.616 0.094 1
1 281 . 6 1 1 A 36 36 ARG HA H 36 4.515 4.921 -0.406 1
1 285 . 6 1 1 A 36 36 ARG C C 36 174.063 175.219 -1.156 1
1 286 . 6 1 1 A 36 36 ARG CA C 36 54.212 54.081 0.131 1
1 287 . 6 1 1 A 36 36 ARG CB C 36 33.371 34.418 -1.047 1
1 289 . 6 1 1 A 36 36 ARG N N 36 116.091 120.024 -3.933 1
1 290 . 6 1 1 A 37 37 VAL H H 37 8.803 8.236 0.567 1
1 291 . 6 1 1 A 37 37 VAL HA H 37 4.375 4.653 -0.278 1
1 299 . 6 1 1 A 37 37 VAL C C 37 174.388 175.649 -1.261 1
1 300 . 6 1 1 A 37 37 VAL CA C 37 62.620 61.635 0.985 1
1 301 . 6 1 1 A 37 37 VAL CB C 37 31.484 32.867 -1.383 1
1 304 . 6 1 1 A 37 37 VAL N N 37 122.430 120.041 2.389 1
1 305 . 6 1 1 A 38 38 LEU H H 38 8.966 9.134 -0.168 1
1 306 . 6 1 1 A 38 38 LEU HA H 38 5.495 5.361 0.134 1
1 316 . 6 1 1 A 38 38 LEU C C 38 177.365 176.316 1.049 1
1 317 . 6 1 1 A 38 38 LEU CA C 38 52.624 53.431 -0.807 1
1 318 . 6 1 1 A 38 38 LEU CB C 38 46.189 45.196 0.993 1
1 322 . 6 1 1 A 38 38 LEU N N 38 125.739 126.995 -1.256 1
1 323 . 6 1 1 A 39 39 VAL H H 39 8.899 9.332 -0.433 1
1 324 . 6 1 1 A 39 39 VAL HA H 39 4.006 3.984 0.022 1
1 332 . 6 1 1 A 39 39 VAL C C 39 176.380 175.908 0.472 1
1 333 . 6 1 1 A 39 39 VAL CA C 39 63.763 63.528 0.235 1
1 334 . 6 1 1 A 39 39 VAL CB C 39 31.629 30.722 0.907 1
1 337 . 6 1 1 A 39 39 VAL N N 39 119.125 122.989 -3.864 1
1 338 . 6 1 1 A 40 40 ALA H H 40 9.755 8.822 0.933 1
1 339 . 6 1 1 A 40 40 ALA HA H 40 4.533 4.242 0.291 1
1 343 . 6 1 1 A 40 40 ALA C C 40 176.636 177.196 -0.560 1
1 344 . 6 1 1 A 40 40 ALA CA C 40 52.536 54.387 -1.851 1
1 345 . 6 1 1 A 40 40 ALA CB C 40 20.860 19.750 1.110 1
1 346 . 6 1 1 A 40 40 ALA N N 40 133.618 130.922 2.696 1
1 347 . 6 1 1 A 41 41 PHE H H 41 7.761 7.432 0.329 1
1 348 . 6 1 1 A 41 41 PHE HA H 41 4.299 4.688 -0.389 1
1 353 . 6 1 1 A 41 41 PHE C C 41 172.990 173.986 -0.996 1
1 354 . 6 1 1 A 41 41 PHE CA C 41 59.306 57.275 2.031 1
1 355 . 6 1 1 A 41 41 PHE CB C 41 42.621 42.678 -0.057 1
1 358 . 6 1 1 A 41 41 PHE N N 41 117.497 116.149 1.348 1
1 359 . 6 1 1 A 42 42 GLY H H 42 7.709 7.517 0.192 1
1 360 . 6 1 1 A 42 42 GLY HA2 H 42 4.190 3.749 0.441 1
1 361 . 6 1 1 A 42 42 GLY HA3 H 42 3.327 3.805 -0.478 1
1 362 . 6 1 1 A 42 42 GLY C C 42 171.542 174.930 -3.388 1
1 363 . 6 1 1 A 42 42 GLY CA C 42 44.310 45.164 -0.854 1
1 364 . 6 1 1 A 42 42 GLY N N 42 114.790 109.954 4.836 1
1 365 . 6 1 1 A 43 43 GLN HA H 43 4.366 3.812 0.554 1
1 372 . 6 1 1 A 43 43 GLN CA C 43 55.207 56.405 -1.198 1
1 373 . 6 1 1 A 43 43 GLN CB C 43 30.347 26.066 4.281 1
1 376 . 6 1 1 A 49 49 VAL HA H 49 3.386 3.454 -0.068 1
1 384 . 6 1 1 A 49 49 VAL C C 49 177.680 177.339 0.341 1
1 385 . 6 1 1 A 49 49 VAL CA C 49 64.730 65.650 -0.920 1
1 386 . 6 1 1 A 49 49 VAL CB C 49 31.489 31.354 0.135 1
1 389 . 6 1 1 A 50 50 GLY H H 50 9.040 8.927 0.113 1
1 390 . 6 1 1 A 50 50 GLY HA2 H 50 4.505 4.010 0.495 1
1 391 . 6 1 1 A 50 50 GLY HA3 H 50 3.562 4.020 -0.458 1
1 392 . 6 1 1 A 50 50 GLY C C 50 175.034 174.624 0.410 1
1 393 . 6 1 1 A 50 50 GLY CA C 50 44.901 45.463 -0.562 1
1 394 . 6 1 1 A 50 50 GLY N N 50 115.994 114.974 1.020 1
1 395 . 6 1 1 A 51 51 HIS H H 51 8.228 8.032 0.196 1
1 396 . 6 1 1 A 51 51 HIS HA H 51 4.614 4.440 0.174 1
1 400 . 6 1 1 A 51 51 HIS C C 51 174.681 175.129 -0.448 1
1 401 . 6 1 1 A 51 51 HIS CA C 51 57.434 56.507 0.927 1
1 402 . 6 1 1 A 51 51 HIS CB C 51 32.934 31.134 1.800 1
1 404 . 6 1 1 A 51 51 HIS N N 51 120.280 120.224 0.056 1
1 405 . 6 1 1 A 52 52 ALA H H 52 9.229 9.264 -0.035 1
1 406 . 6 1 1 A 52 52 ALA HA H 52 5.587 5.205 0.382 1
1 410 . 6 1 1 A 52 52 ALA C C 52 177.988 177.054 0.934 1
1 411 . 6 1 1 A 52 52 ALA CA C 52 50.053 50.214 -0.161 1
1 412 . 6 1 1 A 52 52 ALA CB C 52 22.023 22.391 -0.368 1
1 413 . 6 1 1 A 52 52 ALA N N 52 121.598 122.982 -1.384 1
1 414 . 6 1 1 A 53 53 VAL HA H 53 3.473 3.589 -0.116 1
1 422 . 6 1 1 A 53 53 VAL C C 53 175.227 175.684 -0.457 1
1 423 . 6 1 1 A 53 53 VAL CA C 53 63.914 63.285 0.629 1
1 424 . 6 1 1 A 53 53 VAL CB C 53 32.339 31.822 0.517 1
1 427 . 6 1 1 A 54 54 LEU H H 54 9.067 9.261 -0.194 1
1 428 . 6 1 1 A 54 54 LEU HA H 54 4.599 4.478 0.121 1
1 434 . 6 1 1 A 54 54 LEU C C 54 178.208 176.664 1.544 1
1 435 . 6 1 1 A 54 54 LEU CA C 54 55.084 55.800 -0.716 1
1 436 . 6 1 1 A 54 54 LEU CB C 54 43.490 43.465 0.025 1
1 439 . 6 1 1 A 54 54 LEU N N 54 126.184 127.241 -1.057 1
1 440 . 6 1 1 A 55 55 ALA H H 55 7.665 7.463 0.202 1
1 441 . 6 1 1 A 55 55 ALA HA H 55 4.889 4.938 -0.049 1
1 445 . 6 1 1 A 55 55 ALA C C 55 175.085 175.108 -0.023 1
1 446 . 6 1 1 A 55 55 ALA CA C 55 52.600 51.533 1.067 1
1 447 . 6 1 1 A 55 55 ALA CB C 55 21.847 22.909 -1.062 1
1 448 . 6 1 1 A 55 55 ALA N N 55 119.807 116.728 3.079 1
1 449 . 6 1 1 A 56 56 ILE H H 56 8.209 8.620 -0.411 1
1 450 . 6 1 1 A 56 56 ILE HA H 56 4.643 4.623 0.020 1
1 460 . 6 1 1 A 56 56 ILE C C 56 176.001 175.950 0.051 1
1 461 . 6 1 1 A 56 56 ILE CA C 56 59.817 59.960 -0.143 1
1 462 . 6 1 1 A 56 56 ILE CB C 56 41.035 40.392 0.643 1
1 466 . 6 1 1 A 56 56 ILE N N 56 119.114 118.993 0.121 1
1 467 . 6 1 1 A 57 57 ASN H H 57 10.090 9.884 0.206 1
1 468 . 6 1 1 A 57 57 ASN HA H 57 4.523 4.515 0.008 1
1 473 . 6 1 1 A 57 57 ASN C C 57 175.371 175.273 0.098 1
1 474 . 6 1 1 A 57 57 ASN CA C 57 54.161 54.545 -0.384 1
1 475 . 6 1 1 A 57 57 ASN CB C 57 36.953 36.959 -0.006 1
1 476 . 6 1 1 A 57 57 ASN N N 57 128.487 127.327 1.160 1
1 478 . 6 1 1 A 58 58 GLY H H 58 9.200 8.485 0.715 1
1 479 . 6 1 1 A 58 58 GLY HA2 H 58 4.080 3.972 0.108 1
1 480 . 6 1 1 A 58 58 GLY HA3 H 58 3.513 4.019 -0.506 1
1 481 . 6 1 1 A 58 58 GLY C C 58 174.149 174.055 0.094 1
1 482 . 6 1 1 A 58 58 GLY CA C 58 45.464 45.504 -0.040 1
1 483 . 6 1 1 A 58 58 GLY N N 58 103.720 104.607 -0.887 1
1 484 . 6 1 1 A 59 59 MET H H 59 7.852 8.211 -0.359 1
1 485 . 6 1 1 A 59 59 MET HA H 59 4.801 4.426 0.375 1
1 490 . 6 1 1 A 59 59 MET C C 59 175.661 175.347 0.314 1
1 491 . 6 1 1 A 59 59 MET CA C 59 53.528 54.735 -1.207 1
1 492 . 6 1 1 A 59 59 MET CB C 59 33.623 31.983 1.640 1
1 494 . 6 1 1 A 59 59 MET N N 59 120.479 121.068 -0.589 1
1 495 . 6 1 1 A 60 60 ASP H H 60 8.931 8.509 0.422 1
1 496 . 6 1 1 A 60 60 ASP HA H 60 4.696 4.803 -0.107 1
1 499 . 6 1 1 A 60 60 ASP C C 60 176.608 175.524 1.084 1
1 500 . 6 1 1 A 60 60 ASP CA C 60 55.789 55.120 0.669 1
1 501 . 6 1 1 A 60 60 ASP CB C 60 40.793 41.511 -0.718 1
1 502 . 6 1 1 A 60 60 ASP N N 60 127.746 126.289 1.457 1
1 503 . 6 1 1 A 61 61 VAL H H 61 7.734 8.463 -0.729 1
1 504 . 6 1 1 A 61 61 VAL HA H 61 4.216 4.285 -0.069 1
1 512 . 6 1 1 A 61 61 VAL C C 61 174.993 174.980 0.013 1
1 513 . 6 1 1 A 61 61 VAL CA C 61 60.816 61.341 -0.525 1
1 514 . 6 1 1 A 61 61 VAL CB C 61 32.006 32.926 -0.920 1
1 517 . 6 1 1 A 61 61 VAL N N 61 117.791 122.914 -5.123 1
1 518 . 6 1 1 A 62 62 ASN H H 62 9.011 8.756 0.255 1
1 519 . 6 1 1 A 62 62 ASN HA H 62 5.044 4.727 0.317 1
1 524 . 6 1 1 A 62 62 ASN C C 62 175.375 175.680 -0.305 1
1 525 . 6 1 1 A 62 62 ASN CA C 62 51.604 51.939 -0.335 1
1 526 . 6 1 1 A 62 62 ASN CB C 62 39.209 36.865 2.344 1
1 527 . 6 1 1 A 62 62 ASN N N 62 124.361 123.780 0.581 1
1 529 . 6 1 1 A 63 63 GLY H H 63 8.699 8.673 0.026 1
1 530 . 6 1 1 A 63 63 GLY HA2 H 63 4.267 3.875 0.392 1
1 531 . 6 1 1 A 63 63 GLY HA3 H 63 3.760 3.897 -0.137 1
1 532 . 6 1 1 A 63 63 GLY C C 63 173.666 174.260 -0.594 1
1 533 . 6 1 1 A 63 63 GLY CA C 63 47.919 46.605 1.314 1
1 534 . 6 1 1 A 63 63 GLY N N 63 113.974 114.330 -0.356 1
1 535 . 6 1 1 A 64 64 ARG H H 64 8.595 8.367 0.228 1
1 536 . 6 1 1 A 64 64 ARG HA H 64 4.144 4.398 -0.254 1
1 544 . 6 1 1 A 64 64 ARG C C 64 175.001 174.892 0.109 1
1 545 . 6 1 1 A 64 64 ARG CA C 64 55.449 55.419 0.030 1
1 546 . 6 1 1 A 64 64 ARG CB C 64 31.649 31.297 0.352 1
1 549 . 6 1 1 A 64 64 ARG N N 64 124.516 119.635 4.881 1
1 551 . 6 1 1 A 65 65 TYR H H 65 7.959 7.585 0.374 1
1 552 . 6 1 1 A 65 65 TYR HA H 65 5.515 5.311 0.204 1
1 559 . 6 1 1 A 65 65 TYR C C 65 176.353 175.806 0.547 1
1 560 . 6 1 1 A 65 65 TYR CA C 65 57.143 56.691 0.452 1
1 561 . 6 1 1 A 65 65 TYR CB C 65 42.338 41.718 0.620 1
1 566 . 6 1 1 A 65 65 TYR N N 65 119.872 119.276 0.596 1
1 567 . 6 1 1 A 66 66 THR H H 66 9.651 9.055 0.596 1
1 568 . 6 1 1 A 66 66 THR HA H 66 4.418 4.340 0.078 1
1 573 . 6 1 1 A 66 66 THR C C 66 177.773 175.951 1.822 1
1 574 . 6 1 1 A 66 66 THR CA C 66 61.270 61.238 0.032 1
1 575 . 6 1 1 A 66 66 THR CB C 66 71.305 70.698 0.607 1
1 577 . 6 1 1 A 66 66 THR N N 66 111.062 115.066 -4.004 1
1 578 . 6 1 1 A 67 67 ALA H H 67 9.388 8.778 0.610 1
1 579 . 6 1 1 A 67 67 ALA HA H 67 4.109 3.726 0.383 1
1 583 . 6 1 1 A 67 67 ALA C C 67 177.993 179.345 -1.352 1
1 584 . 6 1 1 A 67 67 ALA CA C 67 55.247 55.096 0.151 1
1 585 . 6 1 1 A 67 67 ALA CB C 67 18.955 17.701 1.254 1
1 586 . 6 1 1 A 67 67 ALA N N 67 125.051 124.191 0.860 1
1 587 . 6 1 1 A 68 68 ASP H H 68 7.980 7.828 0.152 1
1 588 . 6 1 1 A 68 68 ASP HA H 68 4.674 4.723 -0.049 1
1 591 . 6 1 1 A 68 68 ASP C C 68 176.691 176.188 0.503 1
1 592 . 6 1 1 A 68 68 ASP CA C 68 52.824 54.734 -1.910 1
1 593 . 6 1 1 A 68 68 ASP CB C 68 39.776 41.350 -1.574 1
1 594 . 6 1 1 A 68 68 ASP N N 68 111.027 116.806 -5.779 1
1 595 . 6 1 1 A 69 69 GLY H H 69 8.052 7.799 0.253 1
1 596 . 6 1 1 A 69 69 GLY HA2 H 69 4.154 4.065 0.089 1
1 597 . 6 1 1 A 69 69 GLY HA3 H 69 3.569 4.068 -0.499 1
1 598 . 6 1 1 A 69 69 GLY C C 69 174.525 174.637 -0.112 1
1 599 . 6 1 1 A 69 69 GLY CA C 69 46.273 44.908 1.365 1
1 600 . 6 1 1 A 69 69 GLY N N 69 107.666 107.525 0.141 1
1 601 . 6 1 1 A 70 70 LYS H H 70 7.816 7.583 0.233 1
1 602 . 6 1 1 A 70 70 LYS HA H 70 4.639 4.433 0.206 1
1 611 . 6 1 1 A 70 70 LYS C C 70 176.713 176.501 0.212 1
1 612 . 6 1 1 A 70 70 LYS CA C 70 54.753 56.377 -1.624 1
1 613 . 6 1 1 A 70 70 LYS CB C 70 32.589 33.820 -1.231 1
1 617 . 6 1 1 A 70 70 LYS N N 70 120.047 120.551 -0.504 1
1 618 . 6 1 1 A 71 71 GLU H H 71 9.375 8.582 0.793 1
1 619 . 6 1 1 A 71 71 GLU HA H 71 4.366 4.003 0.363 1
1 624 . 6 1 1 A 71 71 GLU C C 71 177.910 177.879 0.031 1
1 625 . 6 1 1 A 71 71 GLU CA C 71 58.297 56.890 1.407 1
1 626 . 6 1 1 A 71 71 GLU CB C 71 29.572 30.988 -1.416 1
1 628 . 6 1 1 A 71 71 GLU N N 71 124.416 124.962 -0.546 1
1 629 . 6 1 1 A 72 72 VAL H H 72 9.028 8.791 0.237 1
1 630 . 6 1 1 A 72 72 VAL HA H 72 3.258 3.671 -0.413 1
1 638 . 6 1 1 A 72 72 VAL C C 72 177.159 177.176 -0.017 1
1 639 . 6 1 1 A 72 72 VAL CA C 72 67.561 66.387 1.174 1
1 640 . 6 1 1 A 72 72 VAL CB C 72 31.962 31.428 0.534 1
1 643 . 6 1 1 A 72 72 VAL N N 72 128.216 125.277 2.939 1
1 644 . 6 1 1 A 73 73 LEU H H 73 9.223 8.116 1.107 1
1 645 . 6 1 1 A 73 73 LEU HA H 73 3.972 3.898 0.074 1
1 655 . 6 1 1 A 73 73 LEU C C 73 180.513 179.526 0.987 1
1 656 . 6 1 1 A 73 73 LEU CA C 73 58.658 58.039 0.619 1
1 657 . 6 1 1 A 73 73 LEU CB C 73 40.458 40.884 -0.426 1
1 661 . 6 1 1 A 73 73 LEU N N 73 117.712 120.237 -2.525 1
1 662 . 6 1 1 A 74 74 GLU H H 74 7.456 8.092 -0.636 1
1 663 . 6 1 1 A 74 74 GLU HA H 74 4.133 3.966 0.167 1
1 668 . 6 1 1 A 74 74 GLU C C 74 179.695 178.532 1.163 1
1 669 . 6 1 1 A 74 74 GLU CA C 74 59.092 59.415 -0.323 1
1 670 . 6 1 1 A 74 74 GLU CB C 74 29.845 29.357 0.488 1
1 672 . 6 1 1 A 74 74 GLU N N 74 119.823 119.127 0.696 1
1 673 . 6 1 1 A 75 75 TYR H H 75 8.706 8.391 0.315 1
1 674 . 6 1 1 A 75 75 TYR HA H 75 4.047 4.200 -0.153 1
1 681 . 6 1 1 A 75 75 TYR C C 75 179.408 176.984 2.424 1
1 682 . 6 1 1 A 75 75 TYR CA C 75 62.106 61.462 0.644 1
1 683 . 6 1 1 A 75 75 TYR CB C 75 39.275 38.856 0.419 1
1 688 . 6 1 1 A 75 75 TYR N N 75 123.223 122.454 0.769 1
1 689 . 6 1 1 A 76 76 LEU H H 76 8.586 8.800 -0.214 1
1 690 . 6 1 1 A 76 76 LEU HA H 76 4.458 4.037 0.421 1
1 700 . 6 1 1 A 76 76 LEU C C 76 178.328 179.207 -0.879 1
1 701 . 6 1 1 A 76 76 LEU CA C 76 55.395 57.823 -2.428 1
1 702 . 6 1 1 A 76 76 LEU CB C 76 41.315 41.750 -0.435 1
1 706 . 6 1 1 A 76 76 LEU N N 76 113.641 118.927 -5.286 1
1 707 . 6 1 1 A 77 77 GLY H H 77 7.868 8.115 -0.247 1
1 708 . 6 1 1 A 77 77 GLY HA2 H 77 4.541 3.901 0.640 1
1 709 . 6 1 1 A 77 77 GLY HA3 H 77 3.946 3.923 0.023 1
1 710 . 6 1 1 A 77 77 GLY C C 77 172.507 174.795 -2.288 1
1 711 . 6 1 1 A 77 77 GLY CA C 77 45.274 47.030 -1.756 1
1 712 . 6 1 1 A 77 77 GLY N N 77 108.897 106.606 2.291 1
1 713 . 6 1 1 A 78 78 ASN H H 78 7.108 7.582 -0.474 1
1 714 . 6 1 1 A 78 78 ASN HA H 78 5.208 4.789 0.419 1
1 719 . 6 1 1 A 78 78 ASN C C 78 174.475 175.266 -0.791 1
1 720 . 6 1 1 A 78 78 ASN CA C 78 49.514 51.009 -1.495 1
1 721 . 6 1 1 A 78 78 ASN CB C 78 39.531 39.580 -0.049 1
1 722 . 6 1 1 A 78 78 ASN N N 78 119.451 118.856 0.595 1
1 724 . 6 1 1 A 79 79 PRO HA H 79 3.589 3.675 -0.086 1
1 731 . 6 1 1 A 79 79 PRO C C 79 177.877 177.048 0.829 1
1 732 . 6 1 1 A 79 79 PRO CA C 79 64.697 63.652 1.045 1
1 733 . 6 1 1 A 79 79 PRO CB C 79 30.935 31.127 -0.192 1
1 736 . 6 1 1 A 80 80 ALA H H 80 7.842 8.115 -0.273 1
1 737 . 6 1 1 A 80 80 ALA HA H 80 4.197 4.067 0.130 1
1 741 . 6 1 1 A 80 80 ALA C C 80 178.566 178.092 0.474 1
1 742 . 6 1 1 A 80 80 ALA CA C 80 53.801 54.164 -0.363 1
1 743 . 6 1 1 A 80 80 ALA CB C 80 18.366 18.286 0.080 1
1 744 . 6 1 1 A 80 80 ALA N N 80 119.231 120.170 -0.939 1
1 745 . 6 1 1 A 81 81 ASN H H 81 7.714 7.817 -0.103 1
1 746 . 6 1 1 A 81 81 ASN HA H 81 4.662 5.076 -0.414 1
1 751 . 6 1 1 A 81 81 ASN C C 81 172.714 175.595 -2.881 1
1 752 . 6 1 1 A 81 81 ASN CA C 81 52.960 52.772 0.188 1
1 753 . 6 1 1 A 81 81 ASN CB C 81 37.946 39.265 -1.319 1
1 754 . 6 1 1 A 81 81 ASN N N 81 113.680 114.545 -0.865 1
1 756 . 6 1 1 A 82 82 TYR H H 82 7.299 7.979 -0.680 1
1 757 . 6 1 1 A 82 82 TYR HA H 82 4.283 4.676 -0.393 1
1 763 . 6 1 1 A 82 82 TYR C C 82 174.383 176.518 -2.135 1
1 764 . 6 1 1 A 82 82 TYR CA C 82 57.061 61.033 -3.972 1
1 765 . 6 1 1 A 82 82 TYR CB C 82 39.447 38.054 1.393 1
1 770 . 6 1 1 A 82 82 TYR N N 82 118.625 120.513 -1.888 1
1 771 . 6 1 1 A 83 83 PRO HA H 83 4.381 4.921 -0.540 1
1 778 . 6 1 1 A 83 83 PRO CA C 83 62.946 62.810 0.136 1
1 779 . 6 1 1 A 83 83 PRO CB C 83 32.088 31.776 0.312 1
1 782 . 6 1 1 A 84 84 VAL HA H 84 4.956 5.112 -0.156 1
1 790 . 6 1 1 A 84 84 VAL CA C 84 59.200 59.586 -0.386 1
1 791 . 6 1 1 A 84 84 VAL CB C 84 35.235 36.572 -1.337 1
1 794 . 6 1 1 A 85 85 SER H H 85 8.491 8.709 -0.218 1
1 795 . 6 1 1 A 85 85 SER HA H 85 5.655 5.429 0.226 1
1 798 . 6 1 1 A 85 85 SER C C 85 174.729 173.205 1.524 1
1 799 . 6 1 1 A 85 85 SER CA C 85 56.679 58.060 -1.381 1
1 800 . 6 1 1 A 85 85 SER CB C 85 64.021 64.881 -0.860 1
1 801 . 6 1 1 A 85 85 SER N N 85 121.531 117.858 3.673 1
1 802 . 6 1 1 A 86 86 ILE H H 86 9.318 9.270 0.048 1
1 803 . 6 1 1 A 86 86 ILE HA H 86 4.803 4.944 -0.141 1
1 813 . 6 1 1 A 86 86 ILE C C 86 173.918 174.866 -0.948 1
1 814 . 6 1 1 A 86 86 ILE CA C 86 60.802 59.822 0.980 1
1 815 . 6 1 1 A 86 86 ILE CB C 86 41.352 42.400 -1.048 1
1 819 . 6 1 1 A 86 86 ILE N N 86 126.689 123.598 3.091 1
1 820 . 6 1 1 A 88 88 PHE HA H 88 5.866 5.566 0.300 1
1 826 . 6 1 1 A 88 88 PHE C C 88 175.891 175.986 -0.095 1
1 827 . 6 1 1 A 88 88 PHE CA C 88 56.349 55.783 0.566 1
1 828 . 6 1 1 A 88 88 PHE CB C 88 44.020 43.421 0.599 1
1 832 . 6 1 1 A 89 89 GLY H H 89 8.913 8.668 0.245 1
1 833 . 6 1 1 A 89 89 GLY HA2 H 89 4.090 4.242 -0.152 1
1 834 . 6 1 1 A 89 89 GLY HA3 H 89 4.090 4.358 -0.268 1
1 835 . 6 1 1 A 89 89 GLY C C 89 171.617 171.890 -0.273 1
1 836 . 6 1 1 A 89 89 GLY CA C 89 45.684 45.914 -0.230 1
1 837 . 6 1 1 A 89 89 GLY N N 89 105.946 108.881 -2.935 1
1 838 . 6 1 1 A 90 90 ARG H H 90 8.880 8.577 0.303 1
1 839 . 6 1 1 A 90 90 ARG HA H 90 4.628 4.148 0.480 1
1 846 . 6 1 1 A 90 90 ARG CA C 90 54.341 54.359 -0.018 1
1 847 . 6 1 1 A 90 90 ARG CB C 90 30.326 29.568 0.758 1
1 850 . 6 1 1 A 90 90 ARG N N 90 123.099 120.134 2.965 1
1 851 . 6 1 1 A 91 91 PRO HA H 91 4.390 4.528 -0.138 1
1 858 . 6 1 1 A 91 91 PRO CA C 91 62.994 62.408 0.586 1
1 859 . 6 1 1 A 91 91 PRO CB C 91 32.136 33.267 -1.131 1
1 862 . 6 1 1 A 92 92 ARG H H 92 8.506 8.836 -0.330 1
1 863 . 6 1 1 A 92 92 ARG HA H 92 4.321 4.059 0.262 1
1 867 . 6 1 1 A 92 92 ARG C C 92 176.279 176.002 0.277 1
1 868 . 6 1 1 A 92 92 ARG CA C 92 56.320 59.349 -3.029 1
1 869 . 6 1 1 A 92 92 ARG CB C 92 30.937 30.091 0.846 1
1 871 . 6 1 1 A 92 92 ARG N N 92 121.873 120.754 1.119 1
1 872 . 6 1 1 A 93 93 LEU H H 93 8.537 7.973 0.564 1
1 873 . 6 1 1 A 93 93 LEU HA H 93 4.479 4.485 -0.006 1
1 876 . 6 1 1 A 93 93 LEU C C 93 177.444 177.052 0.392 1
1 877 . 6 1 1 A 93 93 LEU CA C 93 55.187 54.397 0.790 1
1 878 . 6 1 1 A 93 93 LEU CB C 93 42.551 42.454 0.097 1
1 879 . 6 1 1 A 93 93 LEU N N 93 124.440 118.997 5.443 1
1 880 . 6 1 1 A 94 94 THR H H 94 8.183 8.765 -0.582 1
1 881 . 6 1 1 A 94 94 THR HA H 94 4.444 4.260 0.184 1
1 886 . 6 1 1 A 94 94 THR C C 94 174.383 175.121 -0.738 1
1 887 . 6 1 1 A 94 94 THR CA C 94 61.515 64.547 -3.032 1
1 888 . 6 1 1 A 94 94 THR CB C 94 70.080 68.930 1.150 1
1 890 . 6 1 1 A 94 94 THR N N 94 114.261 118.701 -4.440 1
1 891 . 6 1 1 A 95 95 SER H H 95 8.394 7.601 0.793 1
1 892 . 6 1 1 A 95 95 SER HA H 95 4.502 4.280 0.222 1
1 895 . 6 1 1 A 95 95 SER C C 95 173.465 173.890 -0.425 1
1 896 . 6 1 1 A 95 95 SER CA C 95 58.383 58.977 -0.594 1
1 897 . 6 1 1 A 95 95 SER CB C 95 64.103 63.427 0.676 1
1 898 . 6 1 1 A 95 95 SER N N 95 117.878 115.664 2.214 1
1 1 . 7 1 1 A 2 2 GLY H H 2 8.575 8.071 0.504 1
1 2 . 7 1 1 A 2 2 GLY HA3 H 2 3.941 4.184 -0.243 1
1 3 . 7 1 1 A 2 2 GLY CA C 2 45.109 45.527 -0.418 1
1 4 . 7 1 1 A 2 2 GLY N N 2 110.363 111.400 -1.037 1
1 5 . 7 1 1 A 3 3 HIS H H 3 8.398 7.640 0.758 1
1 7 . 7 1 1 A 3 3 HIS CA C 3 55.958 58.245 -2.287 1
1 8 . 7 1 1 A 3 3 HIS CB C 3 29.588 29.770 -0.182 1
1 9 . 7 1 1 A 3 3 HIS N N 3 118.248 116.686 1.562 1
1 10 . 7 1 1 A 6 6 HIS HA H 6 4.637 4.898 -0.261 1
1 12 . 7 1 1 A 6 6 HIS CA C 6 55.805 54.545 1.260 1
1 13 . 7 1 1 A 6 6 HIS CB C 6 29.866 33.345 -3.479 1
1 14 . 7 1 1 A 7 7 HIS H H 7 8.775 8.781 -0.006 1
1 15 . 7 1 1 A 7 7 HIS HA H 7 4.639 4.477 0.162 1
1 18 . 7 1 1 A 7 7 HIS CA C 7 55.959 57.203 -1.244 1
1 19 . 7 1 1 A 7 7 HIS CB C 7 29.834 30.569 -0.735 1
1 20 . 7 1 1 A 7 7 HIS N N 7 120.965 123.161 -2.196 1
1 21 . 7 1 1 A 8 8 HIS H H 8 8.591 8.358 0.233 1
1 22 . 7 1 1 A 8 8 HIS HA H 8 4.447 4.478 -0.031 1
1 25 . 7 1 1 A 8 8 HIS CA C 8 56.009 56.080 -0.071 1
1 26 . 7 1 1 A 8 8 HIS CB C 8 32.890 29.940 2.950 1
1 27 . 7 1 1 A 8 8 HIS N N 8 122.251 125.194 -2.943 1
1 28 . 7 1 1 A 9 9 LEU H H 9 8.430 8.248 0.182 1
1 29 . 7 1 1 A 9 9 LEU HA H 9 4.359 4.232 0.127 1
1 39 . 7 1 1 A 9 9 LEU C C 9 177.241 175.982 1.259 1
1 40 . 7 1 1 A 9 9 LEU CA C 9 55.395 55.658 -0.263 1
1 41 . 7 1 1 A 9 9 LEU CB C 9 42.317 43.586 -1.269 1
1 45 . 7 1 1 A 9 9 LEU N N 9 123.074 126.519 -3.445 1
1 46 . 7 1 1 A 10 10 ASP H H 10 8.358 8.589 -0.231 1
1 47 . 7 1 1 A 10 10 ASP HA H 10 4.606 4.565 0.041 1
1 50 . 7 1 1 A 10 10 ASP C C 10 176.490 176.569 -0.079 1
1 51 . 7 1 1 A 10 10 ASP CA C 10 54.541 54.559 -0.018 1
1 52 . 7 1 1 A 10 10 ASP CB C 10 41.244 41.293 -0.049 1
1 53 . 7 1 1 A 10 10 ASP N N 10 121.299 124.766 -3.467 1
1 54 . 7 1 1 A 11 11 SER H H 11 8.212 8.898 -0.686 1
1 55 . 7 1 1 A 11 11 SER HA H 11 4.367 4.796 -0.429 1
1 58 . 7 1 1 A 11 11 SER C C 11 174.210 174.850 -0.640 1
1 59 . 7 1 1 A 11 11 SER CA C 11 58.750 58.261 0.489 1
1 60 . 7 1 1 A 11 11 SER CB C 11 63.743 64.748 -1.005 1
1 61 . 7 1 1 A 11 11 SER N N 11 115.863 118.932 -3.069 1
1 62 . 7 1 1 A 12 12 TYR H H 12 8.207 7.311 0.896 1
1 63 . 7 1 1 A 12 12 TYR HA H 12 4.562 4.789 -0.227 1
1 70 . 7 1 1 A 12 12 TYR C C 12 175.105 175.612 -0.507 1
1 71 . 7 1 1 A 12 12 TYR CA C 12 57.994 57.423 0.571 1
1 72 . 7 1 1 A 12 12 TYR CB C 12 38.821 40.706 -1.885 1
1 77 . 7 1 1 A 12 12 TYR N N 12 121.901 115.295 6.606 1
1 78 . 7 1 1 A 13 13 ALA H H 13 8.033 7.210 0.823 1
1 79 . 7 1 1 A 13 13 ALA HA H 13 4.552 4.149 0.403 1
1 83 . 7 1 1 A 13 13 ALA C C 13 174.997 176.015 -1.018 1
1 84 . 7 1 1 A 13 13 ALA CA C 13 50.585 50.687 -0.102 1
1 85 . 7 1 1 A 13 13 ALA CB C 13 18.488 18.340 0.148 1
1 86 . 7 1 1 A 13 13 ALA N N 13 126.839 126.181 0.658 1
1 87 . 7 1 1 A 14 14 PRO HA H 14 4.390 4.500 -0.110 1
1 94 . 7 1 1 A 14 14 PRO C C 14 176.894 176.598 0.296 1
1 95 . 7 1 1 A 14 14 PRO CA C 14 63.199 63.059 0.140 1
1 96 . 7 1 1 A 14 14 PRO CB C 14 32.210 32.541 -0.331 1
1 99 . 7 1 1 A 15 15 ARG H H 15 8.492 8.808 -0.316 1
1 100 . 7 1 1 A 15 15 ARG HA H 15 4.357 3.947 0.410 1
1 104 . 7 1 1 A 15 15 ARG C C 15 176.040 176.762 -0.722 1
1 105 . 7 1 1 A 15 15 ARG CA C 15 56.029 56.756 -0.727 1
1 106 . 7 1 1 A 15 15 ARG CB C 15 31.097 29.014 2.083 1
1 108 . 7 1 1 A 15 15 ARG N N 15 121.148 116.506 4.642 1
1 109 . 7 1 1 A 16 16 ALA H H 16 8.511 8.130 0.381 1
1 110 . 7 1 1 A 16 16 ALA HA H 16 4.352 4.157 0.195 1
1 114 . 7 1 1 A 16 16 ALA C C 16 177.569 177.206 0.363 1
1 115 . 7 1 1 A 16 16 ALA CA C 16 52.771 54.193 -1.422 1
1 116 . 7 1 1 A 16 16 ALA CB C 16 19.291 19.360 -0.069 1
1 117 . 7 1 1 A 16 16 ALA N N 16 125.410 127.775 -2.365 1
1 118 . 7 1 1 A 17 17 GLU H H 17 8.513 7.635 0.878 1
1 119 . 7 1 1 A 17 17 GLU HA H 17 4.681 4.622 0.059 1
1 124 . 7 1 1 A 17 17 GLU C C 17 176.040 174.140 1.900 1
1 125 . 7 1 1 A 17 17 GLU CA C 17 56.240 55.107 1.133 1
1 126 . 7 1 1 A 17 17 GLU CB C 17 31.430 32.863 -1.433 1
1 128 . 7 1 1 A 17 17 GLU N N 17 120.135 113.260 6.875 1
1 129 . 7 1 1 A 20 20 LYS HA H 20 4.642 4.706 -0.064 1
1 132 . 7 1 1 A 20 20 LYS C C 20 174.395 173.541 0.854 1
1 133 . 7 1 1 A 20 20 LYS CA C 20 55.041 55.555 -0.514 1
1 134 . 7 1 1 A 20 20 LYS CB C 20 36.603 36.392 0.211 1
1 135 . 7 1 1 A 21 21 THR H H 21 8.278 7.957 0.321 1
1 136 . 7 1 1 A 21 21 THR HA H 21 5.185 5.467 -0.282 1
1 141 . 7 1 1 A 21 21 THR C C 21 174.123 172.569 1.554 1
1 142 . 7 1 1 A 21 21 THR CA C 21 62.206 60.704 1.502 1
1 143 . 7 1 1 A 21 21 THR CB C 21 69.740 71.622 -1.882 1
1 145 . 7 1 1 A 21 21 THR N N 21 118.285 117.726 0.559 1
1 146 . 7 1 1 A 22 22 PHE H H 22 9.552 9.319 0.233 1
1 147 . 7 1 1 A 22 22 PHE HA H 22 4.934 5.278 -0.344 1
1 155 . 7 1 1 A 22 22 PHE CA C 22 57.809 56.084 1.725 1
1 156 . 7 1 1 A 22 22 PHE CB C 22 43.018 44.269 -1.251 1
1 162 . 7 1 1 A 22 22 PHE N N 22 125.884 124.101 1.783 1
1 163 . 7 1 1 A 23 23 SER H H 23 8.489 8.942 -0.453 1
1 164 . 7 1 1 A 23 23 SER HA H 23 4.874 5.207 -0.333 1
1 167 . 7 1 1 A 23 23 SER CA C 23 57.308 57.605 -0.297 1
1 168 . 7 1 1 A 23 23 SER CB C 23 65.134 67.115 -1.981 1
1 169 . 7 1 1 A 23 23 SER N N 23 116.064 115.698 0.366 1
1 170 . 7 1 1 A 24 24 TYR H H 24 8.561 8.250 0.311 1
1 171 . 7 1 1 A 24 24 TYR HA H 24 3.787 4.446 -0.659 1
1 178 . 7 1 1 A 24 24 TYR CA C 24 55.942 56.648 -0.706 1
1 179 . 7 1 1 A 24 24 TYR CB C 24 39.190 37.693 1.497 1
1 184 . 7 1 1 A 24 24 TYR N N 24 120.614 120.816 -0.202 1
1 185 . 7 1 1 A 25 25 PRO HA H 25 3.195 4.300 -1.105 1
1 192 . 7 1 1 A 25 25 PRO CA C 25 61.641 63.837 -2.196 1
1 193 . 7 1 1 A 25 25 PRO CB C 25 33.950 32.710 1.240 1
1 196 . 7 1 1 A 29 29 LEU HA H 29 4.651 4.409 0.242 1
1 199 . 7 1 1 A 29 29 LEU C C 29 175.676 175.350 0.326 1
1 200 . 7 1 1 A 29 29 LEU CA C 29 54.443 54.422 0.021 1
1 201 . 7 1 1 A 29 29 LEU CB C 29 43.096 39.564 3.532 1
1 204 . 7 1 1 A 30 30 LEU H H 30 8.665 8.094 0.571 1
1 205 . 7 1 1 A 30 30 LEU HA H 30 5.369 5.228 0.141 1
1 212 . 7 1 1 A 30 30 LEU C C 30 176.370 175.338 1.032 1
1 213 . 7 1 1 A 30 30 LEU CA C 30 53.005 53.701 -0.696 1
1 214 . 7 1 1 A 30 30 LEU CB C 30 43.867 46.578 -2.711 1
1 217 . 7 1 1 A 30 30 LEU N N 30 126.293 124.530 1.763 1
1 218 . 7 1 1 A 31 31 LYS H H 31 9.288 8.880 0.408 1
1 219 . 7 1 1 A 31 31 LYS HA H 31 4.664 4.936 -0.272 1
1 228 . 7 1 1 A 31 31 LYS C C 31 173.995 174.780 -0.785 1
1 229 . 7 1 1 A 31 31 LYS CA C 31 54.758 54.413 0.345 1
1 230 . 7 1 1 A 31 31 LYS CB C 31 37.173 36.260 0.913 1
1 234 . 7 1 1 A 31 31 LYS N N 31 119.484 119.322 0.162 1
1 235 . 7 1 1 A 32 32 LEU H H 32 8.724 8.525 0.199 1
1 236 . 7 1 1 A 32 32 LEU HA H 32 4.972 4.858 0.114 1
1 246 . 7 1 1 A 32 32 LEU C C 32 177.274 175.623 1.651 1
1 247 . 7 1 1 A 32 32 LEU CA C 32 54.494 54.889 -0.395 1
1 248 . 7 1 1 A 32 32 LEU CB C 32 43.119 43.017 0.102 1
1 252 . 7 1 1 A 32 32 LEU N N 32 124.082 124.859 -0.777 1
1 253 . 7 1 1 A 33 33 HIS H H 33 9.361 9.192 0.169 1
1 254 . 7 1 1 A 33 33 HIS HA H 33 4.698 4.845 -0.147 1
1 257 . 7 1 1 A 33 33 HIS C C 33 174.092 173.903 0.189 1
1 258 . 7 1 1 A 33 33 HIS CA C 33 56.497 55.812 0.685 1
1 259 . 7 1 1 A 33 33 HIS CB C 33 32.274 33.822 -1.548 1
1 260 . 7 1 1 A 33 33 HIS N N 33 125.743 125.164 0.579 1
1 261 . 7 1 1 A 34 34 ASP H H 34 9.134 9.031 0.103 1
1 262 . 7 1 1 A 34 34 ASP HA H 34 4.146 3.963 0.183 1
1 265 . 7 1 1 A 34 34 ASP C C 34 174.644 175.042 -0.398 1
1 266 . 7 1 1 A 34 34 ASP CA C 34 55.976 54.896 1.080 1
1 267 . 7 1 1 A 34 34 ASP CB C 34 39.179 39.355 -0.176 1
1 268 . 7 1 1 A 34 34 ASP N N 34 128.890 126.425 2.465 1
1 269 . 7 1 1 A 35 35 GLU H H 35 8.648 8.453 0.195 1
1 270 . 7 1 1 A 35 35 GLU HA H 35 3.681 3.744 -0.063 1
1 275 . 7 1 1 A 35 35 GLU C C 35 174.234 174.902 -0.668 1
1 276 . 7 1 1 A 35 35 GLU CA C 35 57.346 57.848 -0.502 1
1 277 . 7 1 1 A 35 35 GLU CB C 35 27.735 27.654 0.081 1
1 279 . 7 1 1 A 35 35 GLU N N 35 109.734 110.473 -0.739 1
1 280 . 7 1 1 A 36 36 ARG H H 36 7.710 7.637 0.073 1
1 281 . 7 1 1 A 36 36 ARG HA H 36 4.515 4.964 -0.449 1
1 285 . 7 1 1 A 36 36 ARG C C 36 174.063 173.932 0.131 1
1 286 . 7 1 1 A 36 36 ARG CA C 36 54.212 54.011 0.201 1
1 287 . 7 1 1 A 36 36 ARG CB C 36 33.371 34.031 -0.660 1
1 289 . 7 1 1 A 36 36 ARG N N 36 116.091 118.051 -1.960 1
1 290 . 7 1 1 A 37 37 VAL H H 37 8.803 8.828 -0.025 1
1 291 . 7 1 1 A 37 37 VAL HA H 37 4.375 5.232 -0.857 1
1 299 . 7 1 1 A 37 37 VAL C C 37 174.388 174.003 0.385 1
1 300 . 7 1 1 A 37 37 VAL CA C 37 62.620 59.678 2.942 1
1 301 . 7 1 1 A 37 37 VAL CB C 37 31.484 34.731 -3.247 1
1 304 . 7 1 1 A 37 37 VAL N N 37 122.430 121.453 0.977 1
1 305 . 7 1 1 A 38 38 LEU H H 38 8.966 9.254 -0.288 1
1 306 . 7 1 1 A 38 38 LEU HA H 38 5.495 5.319 0.176 1
1 316 . 7 1 1 A 38 38 LEU C C 38 177.365 176.466 0.899 1
1 317 . 7 1 1 A 38 38 LEU CA C 38 52.624 53.330 -0.706 1
1 318 . 7 1 1 A 38 38 LEU CB C 38 46.189 45.189 1.000 1
1 322 . 7 1 1 A 38 38 LEU N N 38 125.739 129.193 -3.454 1
1 323 . 7 1 1 A 39 39 VAL H H 39 8.899 9.089 -0.190 1
1 324 . 7 1 1 A 39 39 VAL HA H 39 4.006 3.824 0.182 1
1 332 . 7 1 1 A 39 39 VAL C C 39 176.380 176.165 0.215 1
1 333 . 7 1 1 A 39 39 VAL CA C 39 63.763 63.353 0.410 1
1 334 . 7 1 1 A 39 39 VAL CB C 39 31.629 30.880 0.749 1
1 337 . 7 1 1 A 39 39 VAL N N 39 119.125 123.158 -4.033 1
1 338 . 7 1 1 A 40 40 ALA H H 40 9.755 8.761 0.994 1
1 339 . 7 1 1 A 40 40 ALA HA H 40 4.533 4.152 0.381 1
1 343 . 7 1 1 A 40 40 ALA C C 40 176.636 177.099 -0.463 1
1 344 . 7 1 1 A 40 40 ALA CA C 40 52.536 53.829 -1.293 1
1 345 . 7 1 1 A 40 40 ALA CB C 40 20.860 19.717 1.143 1
1 346 . 7 1 1 A 40 40 ALA N N 40 133.618 130.427 3.191 1
1 347 . 7 1 1 A 41 41 PHE H H 41 7.761 7.120 0.641 1
1 348 . 7 1 1 A 41 41 PHE HA H 41 4.299 4.664 -0.365 1
1 353 . 7 1 1 A 41 41 PHE C C 41 172.990 173.584 -0.594 1
1 354 . 7 1 1 A 41 41 PHE CA C 41 59.306 57.297 2.009 1
1 355 . 7 1 1 A 41 41 PHE CB C 41 42.621 42.315 0.306 1
1 358 . 7 1 1 A 41 41 PHE N N 41 117.497 116.947 0.550 1
1 359 . 7 1 1 A 42 42 GLY H H 42 7.709 7.294 0.415 1
1 360 . 7 1 1 A 42 42 GLY HA2 H 42 4.190 3.695 0.495 1
1 361 . 7 1 1 A 42 42 GLY HA3 H 42 3.327 3.758 -0.431 1
1 362 . 7 1 1 A 42 42 GLY C C 42 171.542 175.345 -3.803 1
1 363 . 7 1 1 A 42 42 GLY CA C 42 44.310 45.255 -0.945 1
1 364 . 7 1 1 A 42 42 GLY N N 42 114.790 110.017 4.773 1
1 365 . 7 1 1 A 43 43 GLN HA H 43 4.366 3.838 0.528 1
1 372 . 7 1 1 A 43 43 GLN CA C 43 55.207 58.519 -3.312 1
1 373 . 7 1 1 A 43 43 GLN CB C 43 30.347 28.157 2.190 1
1 376 . 7 1 1 A 49 49 VAL HA H 49 3.386 3.532 -0.146 1
1 384 . 7 1 1 A 49 49 VAL C C 49 177.680 177.253 0.427 1
1 385 . 7 1 1 A 49 49 VAL CA C 49 64.730 64.743 -0.013 1
1 386 . 7 1 1 A 49 49 VAL CB C 49 31.489 31.880 -0.391 1
1 389 . 7 1 1 A 50 50 GLY H H 50 9.040 8.857 0.183 1
1 390 . 7 1 1 A 50 50 GLY HA2 H 50 4.505 3.829 0.676 1
1 391 . 7 1 1 A 50 50 GLY HA3 H 50 3.562 3.937 -0.375 1
1 392 . 7 1 1 A 50 50 GLY C C 50 175.034 174.449 0.585 1
1 393 . 7 1 1 A 50 50 GLY CA C 50 44.901 45.267 -0.366 1
1 394 . 7 1 1 A 50 50 GLY N N 50 115.994 114.661 1.333 1
1 395 . 7 1 1 A 51 51 HIS H H 51 8.228 7.878 0.350 1
1 396 . 7 1 1 A 51 51 HIS HA H 51 4.614 4.514 0.100 1
1 400 . 7 1 1 A 51 51 HIS C C 51 174.681 175.140 -0.459 1
1 401 . 7 1 1 A 51 51 HIS CA C 51 57.434 56.827 0.607 1
1 402 . 7 1 1 A 51 51 HIS CB C 51 32.934 30.577 2.357 1
1 404 . 7 1 1 A 51 51 HIS N N 51 120.280 118.647 1.633 1
1 405 . 7 1 1 A 52 52 ALA H H 52 9.229 8.788 0.441 1
1 406 . 7 1 1 A 52 52 ALA HA H 52 5.587 4.619 0.968 1
1 410 . 7 1 1 A 52 52 ALA C C 52 177.988 177.697 0.291 1
1 411 . 7 1 1 A 52 52 ALA CA C 52 50.053 51.505 -1.452 1
1 412 . 7 1 1 A 52 52 ALA CB C 52 22.023 19.834 2.189 1
1 413 . 7 1 1 A 52 52 ALA N N 52 121.598 124.928 -3.330 1
1 414 . 7 1 1 A 53 53 VAL HA H 53 3.473 4.177 -0.704 1
1 422 . 7 1 1 A 53 53 VAL C C 53 175.227 175.896 -0.669 1
1 423 . 7 1 1 A 53 53 VAL CA C 53 63.914 63.529 0.385 1
1 424 . 7 1 1 A 53 53 VAL CB C 53 32.339 32.045 0.294 1
1 427 . 7 1 1 A 54 54 LEU H H 54 9.067 9.521 -0.454 1
1 428 . 7 1 1 A 54 54 LEU HA H 54 4.599 4.482 0.117 1
1 434 . 7 1 1 A 54 54 LEU C C 54 178.208 176.789 1.419 1
1 435 . 7 1 1 A 54 54 LEU CA C 54 55.084 55.923 -0.839 1
1 436 . 7 1 1 A 54 54 LEU CB C 54 43.490 43.132 0.358 1
1 439 . 7 1 1 A 54 54 LEU N N 54 126.184 127.838 -1.654 1
1 440 . 7 1 1 A 55 55 ALA H H 55 7.665 7.656 0.009 1
1 441 . 7 1 1 A 55 55 ALA HA H 55 4.889 4.868 0.021 1
1 445 . 7 1 1 A 55 55 ALA C C 55 175.085 175.229 -0.144 1
1 446 . 7 1 1 A 55 55 ALA CA C 55 52.600 51.578 1.022 1
1 447 . 7 1 1 A 55 55 ALA CB C 55 21.847 22.936 -1.089 1
1 448 . 7 1 1 A 55 55 ALA N N 55 119.807 116.618 3.189 1
1 449 . 7 1 1 A 56 56 ILE H H 56 8.209 8.796 -0.587 1
1 450 . 7 1 1 A 56 56 ILE HA H 56 4.643 4.836 -0.193 1
1 460 . 7 1 1 A 56 56 ILE C C 56 176.001 175.889 0.112 1
1 461 . 7 1 1 A 56 56 ILE CA C 56 59.817 59.870 -0.053 1
1 462 . 7 1 1 A 56 56 ILE CB C 56 41.035 40.804 0.231 1
1 466 . 7 1 1 A 56 56 ILE N N 56 119.114 118.721 0.393 1
1 467 . 7 1 1 A 57 57 ASN H H 57 10.090 9.911 0.179 1
1 468 . 7 1 1 A 57 57 ASN HA H 57 4.523 4.527 -0.004 1
1 473 . 7 1 1 A 57 57 ASN C C 57 175.371 175.575 -0.204 1
1 474 . 7 1 1 A 57 57 ASN CA C 57 54.161 54.612 -0.451 1
1 475 . 7 1 1 A 57 57 ASN CB C 57 36.953 37.166 -0.213 1
1 476 . 7 1 1 A 57 57 ASN N N 57 128.487 126.930 1.557 1
1 478 . 7 1 1 A 58 58 GLY H H 58 9.200 8.698 0.502 1
1 479 . 7 1 1 A 58 58 GLY HA2 H 58 4.080 3.864 0.216 1
1 480 . 7 1 1 A 58 58 GLY HA3 H 58 3.513 3.868 -0.355 1
1 481 . 7 1 1 A 58 58 GLY C C 58 174.149 173.824 0.325 1
1 482 . 7 1 1 A 58 58 GLY CA C 58 45.464 45.540 -0.076 1
1 483 . 7 1 1 A 58 58 GLY N N 58 103.720 104.332 -0.612 1
1 484 . 7 1 1 A 59 59 MET H H 59 7.852 8.216 -0.364 1
1 485 . 7 1 1 A 59 59 MET HA H 59 4.801 4.648 0.153 1
1 490 . 7 1 1 A 59 59 MET C C 59 175.661 175.052 0.609 1
1 491 . 7 1 1 A 59 59 MET CA C 59 53.528 54.330 -0.802 1
1 492 . 7 1 1 A 59 59 MET CB C 59 33.623 35.015 -1.392 1
1 494 . 7 1 1 A 59 59 MET N N 59 120.479 120.639 -0.160 1
1 495 . 7 1 1 A 60 60 ASP H H 60 8.931 8.815 0.116 1
1 496 . 7 1 1 A 60 60 ASP HA H 60 4.696 4.703 -0.007 1
1 499 . 7 1 1 A 60 60 ASP C C 60 176.608 175.479 1.129 1
1 500 . 7 1 1 A 60 60 ASP CA C 60 55.789 54.701 1.088 1
1 501 . 7 1 1 A 60 60 ASP CB C 60 40.793 41.525 -0.732 1
1 502 . 7 1 1 A 60 60 ASP N N 60 127.746 125.987 1.759 1
1 503 . 7 1 1 A 61 61 VAL H H 61 7.734 8.982 -1.248 1
1 504 . 7 1 1 A 61 61 VAL HA H 61 4.216 4.768 -0.552 1
1 512 . 7 1 1 A 61 61 VAL C C 61 174.993 174.464 0.529 1
1 513 . 7 1 1 A 61 61 VAL CA C 61 60.816 60.667 0.149 1
1 514 . 7 1 1 A 61 61 VAL CB C 61 32.006 33.530 -1.524 1
1 517 . 7 1 1 A 61 61 VAL N N 61 117.791 120.409 -2.618 1
1 518 . 7 1 1 A 62 62 ASN H H 62 9.011 8.910 0.101 1
1 519 . 7 1 1 A 62 62 ASN HA H 62 5.044 4.811 0.233 1
1 524 . 7 1 1 A 62 62 ASN C C 62 175.375 175.456 -0.081 1
1 525 . 7 1 1 A 62 62 ASN CA C 62 51.604 52.754 -1.150 1
1 526 . 7 1 1 A 62 62 ASN CB C 62 39.209 38.255 0.954 1
1 527 . 7 1 1 A 62 62 ASN N N 62 124.361 124.570 -0.209 1
1 529 . 7 1 1 A 63 63 GLY H H 63 8.699 8.552 0.147 1
1 530 . 7 1 1 A 63 63 GLY HA2 H 63 4.267 3.816 0.451 1
1 531 . 7 1 1 A 63 63 GLY HA3 H 63 3.760 3.825 -0.065 1
1 532 . 7 1 1 A 63 63 GLY C C 63 173.666 174.652 -0.986 1
1 533 . 7 1 1 A 63 63 GLY CA C 63 47.919 47.297 0.622 1
1 534 . 7 1 1 A 63 63 GLY N N 63 113.974 115.439 -1.465 1
1 535 . 7 1 1 A 64 64 ARG H H 64 8.595 8.450 0.145 1
1 536 . 7 1 1 A 64 64 ARG HA H 64 4.144 4.276 -0.132 1
1 544 . 7 1 1 A 64 64 ARG C C 64 175.001 174.700 0.301 1
1 545 . 7 1 1 A 64 64 ARG CA C 64 55.449 55.634 -0.185 1
1 546 . 7 1 1 A 64 64 ARG CB C 64 31.649 30.084 1.565 1
1 549 . 7 1 1 A 64 64 ARG N N 64 124.516 125.487 -0.971 1
1 551 . 7 1 1 A 65 65 TYR H H 65 7.959 7.464 0.495 1
1 552 . 7 1 1 A 65 65 TYR HA H 65 5.515 5.418 0.097 1
1 559 . 7 1 1 A 65 65 TYR C C 65 176.353 175.960 0.393 1
1 560 . 7 1 1 A 65 65 TYR CA C 65 57.143 56.672 0.471 1
1 561 . 7 1 1 A 65 65 TYR CB C 65 42.338 42.559 -0.221 1
1 566 . 7 1 1 A 65 65 TYR N N 65 119.872 118.853 1.019 1
1 567 . 7 1 1 A 66 66 THR H H 66 9.651 8.927 0.724 1
1 568 . 7 1 1 A 66 66 THR HA H 66 4.418 4.447 -0.029 1
1 573 . 7 1 1 A 66 66 THR C C 66 177.773 175.947 1.826 1
1 574 . 7 1 1 A 66 66 THR CA C 66 61.270 61.130 0.140 1
1 575 . 7 1 1 A 66 66 THR CB C 66 71.305 70.612 0.693 1
1 577 . 7 1 1 A 66 66 THR N N 66 111.062 115.117 -4.055 1
1 578 . 7 1 1 A 67 67 ALA H H 67 9.388 8.941 0.447 1
1 579 . 7 1 1 A 67 67 ALA HA H 67 4.109 3.988 0.121 1
1 583 . 7 1 1 A 67 67 ALA C C 67 177.993 179.403 -1.410 1
1 584 . 7 1 1 A 67 67 ALA CA C 67 55.247 55.376 -0.129 1
1 585 . 7 1 1 A 67 67 ALA CB C 67 18.955 18.259 0.696 1
1 586 . 7 1 1 A 67 67 ALA N N 67 125.051 124.218 0.833 1
1 587 . 7 1 1 A 68 68 ASP H H 68 7.980 7.864 0.116 1
1 588 . 7 1 1 A 68 68 ASP HA H 68 4.674 4.581 0.093 1
1 591 . 7 1 1 A 68 68 ASP C C 68 176.691 176.140 0.551 1
1 592 . 7 1 1 A 68 68 ASP CA C 68 52.824 54.792 -1.968 1
1 593 . 7 1 1 A 68 68 ASP CB C 68 39.776 41.347 -1.571 1
1 594 . 7 1 1 A 68 68 ASP N N 68 111.027 116.878 -5.851 1
1 595 . 7 1 1 A 69 69 GLY H H 69 8.052 7.803 0.249 1
1 596 . 7 1 1 A 69 69 GLY HA2 H 69 4.154 4.018 0.136 1
1 597 . 7 1 1 A 69 69 GLY HA3 H 69 3.569 4.059 -0.490 1
1 598 . 7 1 1 A 69 69 GLY C C 69 174.525 174.591 -0.066 1
1 599 . 7 1 1 A 69 69 GLY CA C 69 46.273 44.874 1.399 1
1 600 . 7 1 1 A 69 69 GLY N N 69 107.666 107.516 0.150 1
1 601 . 7 1 1 A 70 70 LYS H H 70 7.816 7.581 0.235 1
1 602 . 7 1 1 A 70 70 LYS HA H 70 4.639 4.342 0.297 1
1 611 . 7 1 1 A 70 70 LYS C C 70 176.713 176.763 -0.050 1
1 612 . 7 1 1 A 70 70 LYS CA C 70 54.753 56.760 -2.007 1
1 613 . 7 1 1 A 70 70 LYS CB C 70 32.589 33.464 -0.875 1
1 617 . 7 1 1 A 70 70 LYS N N 70 120.047 120.767 -0.720 1
1 618 . 7 1 1 A 71 71 GLU H H 71 9.375 8.595 0.780 1
1 619 . 7 1 1 A 71 71 GLU HA H 71 4.366 4.531 -0.165 1
1 624 . 7 1 1 A 71 71 GLU C C 71 177.910 177.903 0.007 1
1 625 . 7 1 1 A 71 71 GLU CA C 71 58.297 57.072 1.225 1
1 626 . 7 1 1 A 71 71 GLU CB C 71 29.572 31.407 -1.835 1
1 628 . 7 1 1 A 71 71 GLU N N 71 124.416 125.305 -0.889 1
1 629 . 7 1 1 A 72 72 VAL H H 72 9.028 8.808 0.220 1
1 630 . 7 1 1 A 72 72 VAL HA H 72 3.258 3.772 -0.514 1
1 638 . 7 1 1 A 72 72 VAL C C 72 177.159 177.344 -0.185 1
1 639 . 7 1 1 A 72 72 VAL CA C 72 67.561 65.635 1.926 1
1 640 . 7 1 1 A 72 72 VAL CB C 72 31.962 31.626 0.336 1
1 643 . 7 1 1 A 72 72 VAL N N 72 128.216 125.638 2.578 1
1 644 . 7 1 1 A 73 73 LEU H H 73 9.223 8.139 1.084 1
1 645 . 7 1 1 A 73 73 LEU HA H 73 3.972 4.004 -0.032 1
1 655 . 7 1 1 A 73 73 LEU C C 73 180.513 179.487 1.026 1
1 656 . 7 1 1 A 73 73 LEU CA C 73 58.658 58.159 0.499 1
1 657 . 7 1 1 A 73 73 LEU CB C 73 40.458 40.794 -0.336 1
1 661 . 7 1 1 A 73 73 LEU N N 73 117.712 122.119 -4.407 1
1 662 . 7 1 1 A 74 74 GLU H H 74 7.456 8.326 -0.870 1
1 663 . 7 1 1 A 74 74 GLU HA H 74 4.133 3.971 0.162 1
1 668 . 7 1 1 A 74 74 GLU C C 74 179.695 178.556 1.139 1
1 669 . 7 1 1 A 74 74 GLU CA C 74 59.092 59.550 -0.458 1
1 670 . 7 1 1 A 74 74 GLU CB C 74 29.845 29.457 0.388 1
1 672 . 7 1 1 A 74 74 GLU N N 74 119.823 120.533 -0.710 1
1 673 . 7 1 1 A 75 75 TYR H H 75 8.706 8.545 0.161 1
1 674 . 7 1 1 A 75 75 TYR HA H 75 4.047 4.209 -0.162 1
1 681 . 7 1 1 A 75 75 TYR C C 75 179.408 176.848 2.560 1
1 682 . 7 1 1 A 75 75 TYR CA C 75 62.106 61.651 0.455 1
1 683 . 7 1 1 A 75 75 TYR CB C 75 39.275 38.894 0.381 1
1 688 . 7 1 1 A 75 75 TYR N N 75 123.223 121.071 2.152 1
1 689 . 7 1 1 A 76 76 LEU H H 76 8.586 8.558 0.028 1
1 690 . 7 1 1 A 76 76 LEU HA H 76 4.458 3.784 0.674 1
1 700 . 7 1 1 A 76 76 LEU C C 76 178.328 179.358 -1.030 1
1 701 . 7 1 1 A 76 76 LEU CA C 76 55.395 57.898 -2.503 1
1 702 . 7 1 1 A 76 76 LEU CB C 76 41.315 42.007 -0.692 1
1 706 . 7 1 1 A 76 76 LEU N N 76 113.641 119.158 -5.517 1
1 707 . 7 1 1 A 77 77 GLY H H 77 7.868 8.160 -0.292 1
1 708 . 7 1 1 A 77 77 GLY HA2 H 77 4.541 3.784 0.757 1
1 709 . 7 1 1 A 77 77 GLY HA3 H 77 3.946 3.921 0.025 1
1 710 . 7 1 1 A 77 77 GLY C C 77 172.507 174.462 -1.955 1
1 711 . 7 1 1 A 77 77 GLY CA C 77 45.274 46.287 -1.013 1
1 712 . 7 1 1 A 77 77 GLY N N 77 108.897 106.138 2.759 1
1 713 . 7 1 1 A 78 78 ASN H H 78 7.108 7.579 -0.471 1
1 714 . 7 1 1 A 78 78 ASN HA H 78 5.208 4.719 0.489 1
1 719 . 7 1 1 A 78 78 ASN C C 78 174.475 175.579 -1.104 1
1 720 . 7 1 1 A 78 78 ASN CA C 78 49.514 51.092 -1.578 1
1 721 . 7 1 1 A 78 78 ASN CB C 78 39.531 39.611 -0.080 1
1 722 . 7 1 1 A 78 78 ASN N N 78 119.451 119.894 -0.443 1
1 724 . 7 1 1 A 79 79 PRO HA H 79 3.589 4.586 -0.997 1
1 731 . 7 1 1 A 79 79 PRO C C 79 177.877 177.191 0.686 1
1 732 . 7 1 1 A 79 79 PRO CA C 79 64.697 64.176 0.521 1
1 733 . 7 1 1 A 79 79 PRO CB C 79 30.935 31.775 -0.840 1
1 736 . 7 1 1 A 80 80 ALA H H 80 7.842 8.250 -0.408 1
1 737 . 7 1 1 A 80 80 ALA HA H 80 4.197 4.150 0.047 1
1 741 . 7 1 1 A 80 80 ALA C C 80 178.566 177.568 0.998 1
1 742 . 7 1 1 A 80 80 ALA CA C 80 53.801 53.838 -0.037 1
1 743 . 7 1 1 A 80 80 ALA CB C 80 18.366 18.354 0.012 1
1 744 . 7 1 1 A 80 80 ALA N N 80 119.231 119.418 -0.187 1
1 745 . 7 1 1 A 81 81 ASN H H 81 7.714 8.013 -0.299 1
1 746 . 7 1 1 A 81 81 ASN HA H 81 4.662 4.994 -0.332 1
1 751 . 7 1 1 A 81 81 ASN C C 81 172.714 175.477 -2.763 1
1 752 . 7 1 1 A 81 81 ASN CA C 81 52.960 51.736 1.224 1
1 753 . 7 1 1 A 81 81 ASN CB C 81 37.946 39.157 -1.211 1
1 754 . 7 1 1 A 81 81 ASN N N 81 113.680 117.019 -3.339 1
1 756 . 7 1 1 A 82 82 TYR H H 82 7.299 7.763 -0.464 1
1 757 . 7 1 1 A 82 82 TYR HA H 82 4.283 4.173 0.110 1
1 763 . 7 1 1 A 82 82 TYR C C 82 174.383 175.743 -1.360 1
1 764 . 7 1 1 A 82 82 TYR CA C 82 57.061 62.184 -5.123 1
1 765 . 7 1 1 A 82 82 TYR CB C 82 39.447 37.503 1.944 1
1 770 . 7 1 1 A 82 82 TYR N N 82 118.625 122.554 -3.929 1
1 771 . 7 1 1 A 83 83 PRO HA H 83 4.381 4.801 -0.420 1
1 778 . 7 1 1 A 83 83 PRO CA C 83 62.946 62.678 0.268 1
1 779 . 7 1 1 A 83 83 PRO CB C 83 32.088 32.367 -0.279 1
1 782 . 7 1 1 A 84 84 VAL HA H 84 4.956 5.029 -0.073 1
1 790 . 7 1 1 A 84 84 VAL CA C 84 59.200 59.430 -0.230 1
1 791 . 7 1 1 A 84 84 VAL CB C 84 35.235 35.458 -0.223 1
1 794 . 7 1 1 A 85 85 SER H H 85 8.491 8.929 -0.438 1
1 795 . 7 1 1 A 85 85 SER HA H 85 5.655 5.346 0.309 1
1 798 . 7 1 1 A 85 85 SER C C 85 174.729 173.527 1.202 1
1 799 . 7 1 1 A 85 85 SER CA C 85 56.679 58.018 -1.339 1
1 800 . 7 1 1 A 85 85 SER CB C 85 64.021 64.898 -0.877 1
1 801 . 7 1 1 A 85 85 SER N N 85 121.531 121.670 -0.139 1
1 802 . 7 1 1 A 86 86 ILE H H 86 9.318 9.331 -0.013 1
1 803 . 7 1 1 A 86 86 ILE HA H 86 4.803 5.052 -0.249 1
1 813 . 7 1 1 A 86 86 ILE C C 86 173.918 174.155 -0.237 1
1 814 . 7 1 1 A 86 86 ILE CA C 86 60.802 60.411 0.391 1
1 815 . 7 1 1 A 86 86 ILE CB C 86 41.352 42.669 -1.317 1
1 819 . 7 1 1 A 86 86 ILE N N 86 126.689 123.996 2.693 1
1 820 . 7 1 1 A 88 88 PHE HA H 88 5.866 5.545 0.321 1
1 826 . 7 1 1 A 88 88 PHE C C 88 175.891 173.509 2.382 1
1 827 . 7 1 1 A 88 88 PHE CA C 88 56.349 55.638 0.711 1
1 828 . 7 1 1 A 88 88 PHE CB C 88 44.020 42.627 1.393 1
1 832 . 7 1 1 A 89 89 GLY H H 89 8.913 8.671 0.242 1
1 833 . 7 1 1 A 89 89 GLY HA2 H 89 4.090 3.646 0.444 1
1 834 . 7 1 1 A 89 89 GLY HA3 H 89 4.090 4.009 0.081 1
1 835 . 7 1 1 A 89 89 GLY C C 89 171.617 171.755 -0.138 1
1 836 . 7 1 1 A 89 89 GLY CA C 89 45.684 45.821 -0.137 1
1 837 . 7 1 1 A 89 89 GLY N N 89 105.946 105.476 0.470 1
1 838 . 7 1 1 A 90 90 ARG H H 90 8.880 8.228 0.652 1
1 839 . 7 1 1 A 90 90 ARG HA H 90 4.628 4.716 -0.088 1
1 846 . 7 1 1 A 90 90 ARG CA C 90 54.341 54.754 -0.413 1
1 847 . 7 1 1 A 90 90 ARG CB C 90 30.326 29.876 0.450 1
1 850 . 7 1 1 A 90 90 ARG N N 90 123.099 121.015 2.084 1
1 851 . 7 1 1 A 91 91 PRO HA H 91 4.390 4.486 -0.096 1
1 858 . 7 1 1 A 91 91 PRO CA C 91 62.994 64.394 -1.400 1
1 859 . 7 1 1 A 91 91 PRO CB C 91 32.136 32.306 -0.170 1
1 862 . 7 1 1 A 92 92 ARG H H 92 8.506 7.820 0.686 1
1 863 . 7 1 1 A 92 92 ARG HA H 92 4.321 4.869 -0.548 1
1 867 . 7 1 1 A 92 92 ARG C C 92 176.279 174.834 1.445 1
1 868 . 7 1 1 A 92 92 ARG CA C 92 56.320 54.367 1.953 1
1 869 . 7 1 1 A 92 92 ARG CB C 92 30.937 33.876 -2.939 1
1 871 . 7 1 1 A 92 92 ARG N N 92 121.873 118.969 2.904 1
1 872 . 7 1 1 A 93 93 LEU H H 93 8.537 8.678 -0.141 1
1 873 . 7 1 1 A 93 93 LEU HA H 93 4.479 4.453 0.026 1
1 876 . 7 1 1 A 93 93 LEU C C 93 177.444 175.269 2.175 1
1 877 . 7 1 1 A 93 93 LEU CA C 93 55.187 56.413 -1.226 1
1 878 . 7 1 1 A 93 93 LEU CB C 93 42.551 41.864 0.687 1
1 879 . 7 1 1 A 93 93 LEU N N 93 124.440 126.694 -2.254 1
1 880 . 7 1 1 A 94 94 THR H H 94 8.183 8.870 -0.687 1
1 881 . 7 1 1 A 94 94 THR HA H 94 4.444 4.807 -0.363 1
1 886 . 7 1 1 A 94 94 THR C C 94 174.383 173.352 1.031 1
1 887 . 7 1 1 A 94 94 THR CA C 94 61.515 60.974 0.541 1
1 888 . 7 1 1 A 94 94 THR CB C 94 70.080 72.755 -2.675 1
1 890 . 7 1 1 A 94 94 THR N N 94 114.261 123.994 -9.733 1
1 891 . 7 1 1 A 95 95 SER H H 95 8.394 8.755 -0.361 1
1 892 . 7 1 1 A 95 95 SER HA H 95 4.502 4.955 -0.453 1
1 895 . 7 1 1 A 95 95 SER C C 95 173.465 173.708 -0.243 1
1 896 . 7 1 1 A 95 95 SER CA C 95 58.383 57.566 0.817 1
1 897 . 7 1 1 A 95 95 SER CB C 95 64.103 64.761 -0.658 1
1 898 . 7 1 1 A 95 95 SER N N 95 117.878 116.112 1.766 1
1 1 . 8 1 1 A 2 2 GLY H H 2 8.575 7.118 1.457 1
1 2 . 8 1 1 A 2 2 GLY HA3 H 2 3.941 3.816 0.125 1
1 3 . 8 1 1 A 2 2 GLY CA C 2 45.109 45.743 -0.634 1
1 4 . 8 1 1 A 2 2 GLY N N 2 110.363 103.574 6.789 1
1 5 . 8 1 1 A 3 3 HIS H H 3 8.398 8.249 0.149 1
1 7 . 8 1 1 A 3 3 HIS CA C 3 55.958 55.675 0.283 1
1 8 . 8 1 1 A 3 3 HIS CB C 3 29.588 30.709 -1.121 1
1 9 . 8 1 1 A 3 3 HIS N N 3 118.248 116.971 1.277 1
1 10 . 8 1 1 A 6 6 HIS HA H 6 4.637 4.795 -0.158 1
1 12 . 8 1 1 A 6 6 HIS CA C 6 55.805 54.041 1.764 1
1 13 . 8 1 1 A 6 6 HIS CB C 6 29.866 32.088 -2.222 1
1 14 . 8 1 1 A 7 7 HIS H H 7 8.775 8.476 0.299 1
1 15 . 8 1 1 A 7 7 HIS HA H 7 4.639 4.513 0.126 1
1 18 . 8 1 1 A 7 7 HIS CA C 7 55.959 56.072 -0.113 1
1 19 . 8 1 1 A 7 7 HIS CB C 7 29.834 30.414 -0.580 1
1 20 . 8 1 1 A 7 7 HIS N N 7 120.965 117.780 3.185 1
1 21 . 8 1 1 A 8 8 HIS H H 8 8.591 8.925 -0.334 1
1 22 . 8 1 1 A 8 8 HIS HA H 8 4.447 4.525 -0.078 1
1 25 . 8 1 1 A 8 8 HIS CA C 8 56.009 58.295 -2.286 1
1 26 . 8 1 1 A 8 8 HIS CB C 8 32.890 29.819 3.071 1
1 27 . 8 1 1 A 8 8 HIS N N 8 122.251 120.884 1.367 1
1 28 . 8 1 1 A 9 9 LEU H H 9 8.430 7.943 0.487 1
1 29 . 8 1 1 A 9 9 LEU HA H 9 4.359 4.353 0.006 1
1 39 . 8 1 1 A 9 9 LEU C C 9 177.241 175.850 1.391 1
1 40 . 8 1 1 A 9 9 LEU CA C 9 55.395 53.646 1.749 1
1 41 . 8 1 1 A 9 9 LEU CB C 9 42.317 40.648 1.669 1
1 45 . 8 1 1 A 9 9 LEU N N 9 123.074 121.202 1.872 1
1 46 . 8 1 1 A 10 10 ASP H H 10 8.358 8.891 -0.533 1
1 47 . 8 1 1 A 10 10 ASP HA H 10 4.606 5.050 -0.444 1
1 50 . 8 1 1 A 10 10 ASP C C 10 176.490 176.230 0.260 1
1 51 . 8 1 1 A 10 10 ASP CA C 10 54.541 55.253 -0.712 1
1 52 . 8 1 1 A 10 10 ASP CB C 10 41.244 44.256 -3.012 1
1 53 . 8 1 1 A 10 10 ASP N N 10 121.299 127.319 -6.020 1
1 54 . 8 1 1 A 11 11 SER H H 11 8.212 7.461 0.751 1
1 55 . 8 1 1 A 11 11 SER HA H 11 4.367 4.381 -0.014 1
1 58 . 8 1 1 A 11 11 SER C C 11 174.210 174.471 -0.261 1
1 59 . 8 1 1 A 11 11 SER CA C 11 58.750 59.536 -0.786 1
1 60 . 8 1 1 A 11 11 SER CB C 11 63.743 63.836 -0.093 1
1 61 . 8 1 1 A 11 11 SER N N 11 115.863 115.508 0.355 1
1 62 . 8 1 1 A 12 12 TYR H H 12 8.207 8.201 0.006 1
1 63 . 8 1 1 A 12 12 TYR HA H 12 4.562 4.736 -0.174 1
1 70 . 8 1 1 A 12 12 TYR C C 12 175.105 176.629 -1.524 1
1 71 . 8 1 1 A 12 12 TYR CA C 12 57.994 57.615 0.379 1
1 72 . 8 1 1 A 12 12 TYR CB C 12 38.821 39.913 -1.092 1
1 77 . 8 1 1 A 12 12 TYR N N 12 121.901 120.014 1.887 1
1 78 . 8 1 1 A 13 13 ALA H H 13 8.033 7.429 0.604 1
1 79 . 8 1 1 A 13 13 ALA HA H 13 4.552 4.098 0.454 1
1 83 . 8 1 1 A 13 13 ALA C C 13 174.997 175.941 -0.944 1
1 84 . 8 1 1 A 13 13 ALA CA C 13 50.585 56.511 -5.926 1
1 85 . 8 1 1 A 13 13 ALA CB C 13 18.488 17.107 1.381 1
1 86 . 8 1 1 A 13 13 ALA N N 13 126.839 124.082 2.757 1
1 87 . 8 1 1 A 14 14 PRO HA H 14 4.390 4.349 0.041 1
1 94 . 8 1 1 A 14 14 PRO C C 14 176.894 176.990 -0.096 1
1 95 . 8 1 1 A 14 14 PRO CA C 14 63.199 64.678 -1.479 1
1 96 . 8 1 1 A 14 14 PRO CB C 14 32.210 31.497 0.713 1
1 99 . 8 1 1 A 15 15 ARG H H 15 8.492 7.772 0.720 1
1 100 . 8 1 1 A 15 15 ARG HA H 15 4.357 4.159 0.198 1
1 104 . 8 1 1 A 15 15 ARG C C 15 176.040 175.257 0.783 1
1 105 . 8 1 1 A 15 15 ARG CA C 15 56.029 56.831 -0.802 1
1 106 . 8 1 1 A 15 15 ARG CB C 15 31.097 30.760 0.337 1
1 108 . 8 1 1 A 15 15 ARG N N 15 121.148 118.429 2.719 1
1 109 . 8 1 1 A 16 16 ALA H H 16 8.511 8.882 -0.371 1
1 110 . 8 1 1 A 16 16 ALA HA H 16 4.352 4.945 -0.593 1
1 114 . 8 1 1 A 16 16 ALA C C 16 177.569 176.260 1.309 1
1 115 . 8 1 1 A 16 16 ALA CA C 16 52.771 50.818 1.953 1
1 116 . 8 1 1 A 16 16 ALA CB C 16 19.291 23.673 -4.382 1
1 117 . 8 1 1 A 16 16 ALA N N 16 125.410 126.875 -1.465 1
1 118 . 8 1 1 A 17 17 GLU H H 17 8.513 9.163 -0.650 1
1 119 . 8 1 1 A 17 17 GLU HA H 17 4.681 4.510 0.171 1
1 124 . 8 1 1 A 17 17 GLU C C 17 176.040 178.171 -2.131 1
1 125 . 8 1 1 A 17 17 GLU CA C 17 56.240 56.005 0.235 1
1 126 . 8 1 1 A 17 17 GLU CB C 17 31.430 30.784 0.646 1
1 128 . 8 1 1 A 17 17 GLU N N 17 120.135 119.436 0.699 1
1 129 . 8 1 1 A 20 20 LYS HA H 20 4.642 4.964 -0.322 1
1 132 . 8 1 1 A 20 20 LYS C C 20 174.395 174.852 -0.457 1
1 133 . 8 1 1 A 20 20 LYS CA C 20 55.041 54.854 0.187 1
1 134 . 8 1 1 A 20 20 LYS CB C 20 36.603 34.939 1.664 1
1 135 . 8 1 1 A 21 21 THR H H 21 8.278 8.530 -0.252 1
1 136 . 8 1 1 A 21 21 THR HA H 21 5.185 4.747 0.438 1
1 141 . 8 1 1 A 21 21 THR C C 21 174.123 174.048 0.075 1
1 142 . 8 1 1 A 21 21 THR CA C 21 62.206 62.909 -0.703 1
1 143 . 8 1 1 A 21 21 THR CB C 21 69.740 69.667 0.073 1
1 145 . 8 1 1 A 21 21 THR N N 21 118.285 116.161 2.124 1
1 146 . 8 1 1 A 22 22 PHE H H 22 9.552 9.823 -0.271 1
1 147 . 8 1 1 A 22 22 PHE HA H 22 4.934 5.383 -0.449 1
1 155 . 8 1 1 A 22 22 PHE CA C 22 57.809 56.113 1.696 1
1 156 . 8 1 1 A 22 22 PHE CB C 22 43.018 43.471 -0.453 1
1 162 . 8 1 1 A 22 22 PHE N N 22 125.884 126.037 -0.153 1
1 163 . 8 1 1 A 23 23 SER H H 23 8.489 9.075 -0.586 1
1 164 . 8 1 1 A 23 23 SER HA H 23 4.874 5.451 -0.577 1
1 167 . 8 1 1 A 23 23 SER CA C 23 57.308 57.641 -0.333 1
1 168 . 8 1 1 A 23 23 SER CB C 23 65.134 67.016 -1.882 1
1 169 . 8 1 1 A 23 23 SER N N 23 116.064 114.806 1.258 1
1 170 . 8 1 1 A 24 24 TYR H H 24 8.561 8.664 -0.103 1
1 171 . 8 1 1 A 24 24 TYR HA H 24 3.787 4.640 -0.853 1
1 178 . 8 1 1 A 24 24 TYR CA C 24 55.942 55.539 0.403 1
1 179 . 8 1 1 A 24 24 TYR CB C 24 39.190 40.233 -1.043 1
1 184 . 8 1 1 A 24 24 TYR N N 24 120.614 119.457 1.157 1
1 185 . 8 1 1 A 25 25 PRO HA H 25 3.195 4.202 -1.007 1
1 192 . 8 1 1 A 25 25 PRO CA C 25 61.641 62.625 -0.984 1
1 193 . 8 1 1 A 25 25 PRO CB C 25 33.950 32.710 1.240 1
1 196 . 8 1 1 A 29 29 LEU HA H 29 4.651 4.918 -0.267 1
1 199 . 8 1 1 A 29 29 LEU C C 29 175.676 174.672 1.004 1
1 200 . 8 1 1 A 29 29 LEU CA C 29 54.443 54.177 0.266 1
1 201 . 8 1 1 A 29 29 LEU CB C 29 43.096 46.011 -2.915 1
1 204 . 8 1 1 A 30 30 LEU H H 30 8.665 9.040 -0.375 1
1 205 . 8 1 1 A 30 30 LEU HA H 30 5.369 5.480 -0.111 1
1 212 . 8 1 1 A 30 30 LEU C C 30 176.370 176.054 0.316 1
1 213 . 8 1 1 A 30 30 LEU CA C 30 53.005 53.483 -0.478 1
1 214 . 8 1 1 A 30 30 LEU CB C 30 43.867 45.404 -1.537 1
1 217 . 8 1 1 A 30 30 LEU N N 30 126.293 127.758 -1.465 1
1 218 . 8 1 1 A 31 31 LYS H H 31 9.288 9.135 0.153 1
1 219 . 8 1 1 A 31 31 LYS HA H 31 4.664 5.005 -0.341 1
1 228 . 8 1 1 A 31 31 LYS C C 31 173.995 174.984 -0.989 1
1 229 . 8 1 1 A 31 31 LYS CA C 31 54.758 54.441 0.317 1
1 230 . 8 1 1 A 31 31 LYS CB C 31 37.173 36.301 0.872 1
1 234 . 8 1 1 A 31 31 LYS N N 31 119.484 119.077 0.407 1
1 235 . 8 1 1 A 32 32 LEU H H 32 8.724 8.567 0.157 1
1 236 . 8 1 1 A 32 32 LEU HA H 32 4.972 4.793 0.179 1
1 246 . 8 1 1 A 32 32 LEU C C 32 177.274 175.669 1.605 1
1 247 . 8 1 1 A 32 32 LEU CA C 32 54.494 55.503 -1.009 1
1 248 . 8 1 1 A 32 32 LEU CB C 32 43.119 42.735 0.384 1
1 252 . 8 1 1 A 32 32 LEU N N 32 124.082 125.055 -0.973 1
1 253 . 8 1 1 A 33 33 HIS H H 33 9.361 9.254 0.107 1
1 254 . 8 1 1 A 33 33 HIS HA H 33 4.698 4.884 -0.186 1
1 257 . 8 1 1 A 33 33 HIS C C 33 174.092 173.874 0.218 1
1 258 . 8 1 1 A 33 33 HIS CA C 33 56.497 55.837 0.660 1
1 259 . 8 1 1 A 33 33 HIS CB C 33 32.274 33.697 -1.423 1
1 260 . 8 1 1 A 33 33 HIS N N 33 125.743 125.356 0.387 1
1 261 . 8 1 1 A 34 34 ASP H H 34 9.134 9.287 -0.153 1
1 262 . 8 1 1 A 34 34 ASP HA H 34 4.146 3.993 0.153 1
1 265 . 8 1 1 A 34 34 ASP C C 34 174.644 175.048 -0.404 1
1 266 . 8 1 1 A 34 34 ASP CA C 34 55.976 54.911 1.065 1
1 267 . 8 1 1 A 34 34 ASP CB C 34 39.179 39.206 -0.027 1
1 268 . 8 1 1 A 34 34 ASP N N 34 128.890 127.060 1.830 1
1 269 . 8 1 1 A 35 35 GLU H H 35 8.648 8.512 0.136 1
1 270 . 8 1 1 A 35 35 GLU HA H 35 3.681 3.857 -0.176 1
1 275 . 8 1 1 A 35 35 GLU C C 35 174.234 175.294 -1.060 1
1 276 . 8 1 1 A 35 35 GLU CA C 35 57.346 58.010 -0.664 1
1 277 . 8 1 1 A 35 35 GLU CB C 35 27.735 27.944 -0.209 1
1 279 . 8 1 1 A 35 35 GLU N N 35 109.734 110.321 -0.587 1
1 280 . 8 1 1 A 36 36 ARG H H 36 7.710 7.806 -0.096 1
1 281 . 8 1 1 A 36 36 ARG HA H 36 4.515 4.870 -0.355 1
1 285 . 8 1 1 A 36 36 ARG C C 36 174.063 174.784 -0.721 1
1 286 . 8 1 1 A 36 36 ARG CA C 36 54.212 54.092 0.120 1
1 287 . 8 1 1 A 36 36 ARG CB C 36 33.371 33.018 0.353 1
1 289 . 8 1 1 A 36 36 ARG N N 36 116.091 119.090 -2.999 1
1 290 . 8 1 1 A 37 37 VAL H H 37 8.803 8.612 0.191 1
1 291 . 8 1 1 A 37 37 VAL HA H 37 4.375 5.127 -0.752 1
1 299 . 8 1 1 A 37 37 VAL C C 37 174.388 174.623 -0.235 1
1 300 . 8 1 1 A 37 37 VAL CA C 37 62.620 59.992 2.628 1
1 301 . 8 1 1 A 37 37 VAL CB C 37 31.484 34.399 -2.915 1
1 304 . 8 1 1 A 37 37 VAL N N 37 122.430 117.941 4.489 1
1 305 . 8 1 1 A 38 38 LEU H H 38 8.966 9.379 -0.413 1
1 306 . 8 1 1 A 38 38 LEU HA H 38 5.495 5.520 -0.025 1
1 316 . 8 1 1 A 38 38 LEU C C 38 177.365 176.549 0.816 1
1 317 . 8 1 1 A 38 38 LEU CA C 38 52.624 53.438 -0.814 1
1 318 . 8 1 1 A 38 38 LEU CB C 38 46.189 45.231 0.958 1
1 322 . 8 1 1 A 38 38 LEU N N 38 125.739 126.717 -0.978 1
1 323 . 8 1 1 A 39 39 VAL H H 39 8.899 9.530 -0.631 1
1 324 . 8 1 1 A 39 39 VAL HA H 39 4.006 4.027 -0.021 1
1 332 . 8 1 1 A 39 39 VAL C C 39 176.380 176.164 0.216 1
1 333 . 8 1 1 A 39 39 VAL CA C 39 63.763 63.493 0.270 1
1 334 . 8 1 1 A 39 39 VAL CB C 39 31.629 30.908 0.721 1
1 337 . 8 1 1 A 39 39 VAL N N 39 119.125 123.227 -4.102 1
1 338 . 8 1 1 A 40 40 ALA H H 40 9.755 8.969 0.786 1
1 339 . 8 1 1 A 40 40 ALA HA H 40 4.533 4.321 0.212 1
1 343 . 8 1 1 A 40 40 ALA C C 40 176.636 177.233 -0.597 1
1 344 . 8 1 1 A 40 40 ALA CA C 40 52.536 53.881 -1.345 1
1 345 . 8 1 1 A 40 40 ALA CB C 40 20.860 19.909 0.951 1
1 346 . 8 1 1 A 40 40 ALA N N 40 133.618 130.710 2.908 1
1 347 . 8 1 1 A 41 41 PHE H H 41 7.761 7.449 0.312 1
1 348 . 8 1 1 A 41 41 PHE HA H 41 4.299 4.728 -0.429 1
1 353 . 8 1 1 A 41 41 PHE C C 41 172.990 173.738 -0.748 1
1 354 . 8 1 1 A 41 41 PHE CA C 41 59.306 57.046 2.260 1
1 355 . 8 1 1 A 41 41 PHE CB C 41 42.621 42.667 -0.046 1
1 358 . 8 1 1 A 41 41 PHE N N 41 117.497 117.152 0.345 1
1 359 . 8 1 1 A 42 42 GLY H H 42 7.709 7.556 0.153 1
1 360 . 8 1 1 A 42 42 GLY HA2 H 42 4.190 3.967 0.223 1
1 361 . 8 1 1 A 42 42 GLY HA3 H 42 3.327 3.996 -0.669 1
1 362 . 8 1 1 A 42 42 GLY C C 42 171.542 174.567 -3.025 1
1 363 . 8 1 1 A 42 42 GLY CA C 42 44.310 45.208 -0.898 1
1 364 . 8 1 1 A 42 42 GLY N N 42 114.790 110.669 4.121 1
1 365 . 8 1 1 A 43 43 GLN HA H 43 4.366 3.966 0.400 1
1 372 . 8 1 1 A 43 43 GLN CA C 43 55.207 57.309 -2.102 1
1 373 . 8 1 1 A 43 43 GLN CB C 43 30.347 28.350 1.997 1
1 376 . 8 1 1 A 49 49 VAL HA H 49 3.386 3.916 -0.530 1
1 384 . 8 1 1 A 49 49 VAL C C 49 177.680 176.319 1.361 1
1 385 . 8 1 1 A 49 49 VAL CA C 49 64.730 62.835 1.895 1
1 386 . 8 1 1 A 49 49 VAL CB C 49 31.489 32.139 -0.650 1
1 389 . 8 1 1 A 50 50 GLY H H 50 9.040 9.079 -0.039 1
1 390 . 8 1 1 A 50 50 GLY HA2 H 50 4.505 3.976 0.529 1
1 391 . 8 1 1 A 50 50 GLY HA3 H 50 3.562 3.987 -0.425 1
1 392 . 8 1 1 A 50 50 GLY C C 50 175.034 174.682 0.352 1
1 393 . 8 1 1 A 50 50 GLY CA C 50 44.901 44.947 -0.046 1
1 394 . 8 1 1 A 50 50 GLY N N 50 115.994 113.638 2.356 1
1 395 . 8 1 1 A 51 51 HIS H H 51 8.228 8.010 0.218 1
1 396 . 8 1 1 A 51 51 HIS HA H 51 4.614 4.549 0.065 1
1 400 . 8 1 1 A 51 51 HIS C C 51 174.681 174.919 -0.238 1
1 401 . 8 1 1 A 51 51 HIS CA C 51 57.434 56.404 1.030 1
1 402 . 8 1 1 A 51 51 HIS CB C 51 32.934 30.814 2.120 1
1 404 . 8 1 1 A 51 51 HIS N N 51 120.280 119.245 1.035 1
1 405 . 8 1 1 A 52 52 ALA H H 52 9.229 9.157 0.072 1
1 406 . 8 1 1 A 52 52 ALA HA H 52 5.587 5.413 0.174 1
1 410 . 8 1 1 A 52 52 ALA C C 52 177.988 176.647 1.341 1
1 411 . 8 1 1 A 52 52 ALA CA C 52 50.053 50.187 -0.134 1
1 412 . 8 1 1 A 52 52 ALA CB C 52 22.023 23.315 -1.292 1
1 413 . 8 1 1 A 52 52 ALA N N 52 121.598 123.259 -1.661 1
1 414 . 8 1 1 A 53 53 VAL HA H 53 3.473 3.443 0.030 1
1 422 . 8 1 1 A 53 53 VAL C C 53 175.227 175.737 -0.510 1
1 423 . 8 1 1 A 53 53 VAL CA C 53 63.914 63.306 0.608 1
1 424 . 8 1 1 A 53 53 VAL CB C 53 32.339 31.920 0.419 1
1 427 . 8 1 1 A 54 54 LEU H H 54 9.067 9.187 -0.120 1
1 428 . 8 1 1 A 54 54 LEU HA H 54 4.599 4.571 0.028 1
1 434 . 8 1 1 A 54 54 LEU C C 54 178.208 176.581 1.627 1
1 435 . 8 1 1 A 54 54 LEU CA C 54 55.084 55.914 -0.830 1
1 436 . 8 1 1 A 54 54 LEU CB C 54 43.490 44.063 -0.573 1
1 439 . 8 1 1 A 54 54 LEU N N 54 126.184 127.184 -1.000 1
1 440 . 8 1 1 A 55 55 ALA H H 55 7.665 7.538 0.127 1
1 441 . 8 1 1 A 55 55 ALA HA H 55 4.889 4.904 -0.015 1
1 445 . 8 1 1 A 55 55 ALA C C 55 175.085 175.156 -0.071 1
1 446 . 8 1 1 A 55 55 ALA CA C 55 52.600 51.326 1.274 1
1 447 . 8 1 1 A 55 55 ALA CB C 55 21.847 22.982 -1.135 1
1 448 . 8 1 1 A 55 55 ALA N N 55 119.807 117.499 2.308 1
1 449 . 8 1 1 A 56 56 ILE H H 56 8.209 8.640 -0.431 1
1 450 . 8 1 1 A 56 56 ILE HA H 56 4.643 4.671 -0.028 1
1 460 . 8 1 1 A 56 56 ILE C C 56 176.001 175.804 0.197 1
1 461 . 8 1 1 A 56 56 ILE CA C 56 59.817 59.766 0.051 1
1 462 . 8 1 1 A 56 56 ILE CB C 56 41.035 40.686 0.349 1
1 466 . 8 1 1 A 56 56 ILE N N 56 119.114 119.085 0.029 1
1 467 . 8 1 1 A 57 57 ASN H H 57 10.090 9.799 0.291 1
1 468 . 8 1 1 A 57 57 ASN HA H 57 4.523 4.483 0.040 1
1 473 . 8 1 1 A 57 57 ASN C C 57 175.371 175.479 -0.108 1
1 474 . 8 1 1 A 57 57 ASN CA C 57 54.161 54.528 -0.367 1
1 475 . 8 1 1 A 57 57 ASN CB C 57 36.953 37.481 -0.528 1
1 476 . 8 1 1 A 57 57 ASN N N 57 128.487 126.879 1.608 1
1 478 . 8 1 1 A 58 58 GLY H H 58 9.200 8.577 0.623 1
1 479 . 8 1 1 A 58 58 GLY HA2 H 58 4.080 3.824 0.256 1
1 480 . 8 1 1 A 58 58 GLY HA3 H 58 3.513 3.825 -0.312 1
1 481 . 8 1 1 A 58 58 GLY C C 58 174.149 173.794 0.355 1
1 482 . 8 1 1 A 58 58 GLY CA C 58 45.464 45.465 -0.001 1
1 483 . 8 1 1 A 58 58 GLY N N 58 103.720 104.085 -0.365 1
1 484 . 8 1 1 A 59 59 MET H H 59 7.852 8.060 -0.208 1
1 485 . 8 1 1 A 59 59 MET HA H 59 4.801 4.641 0.160 1
1 490 . 8 1 1 A 59 59 MET C C 59 175.661 175.063 0.598 1
1 491 . 8 1 1 A 59 59 MET CA C 59 53.528 54.301 -0.773 1
1 492 . 8 1 1 A 59 59 MET CB C 59 33.623 35.012 -1.389 1
1 494 . 8 1 1 A 59 59 MET N N 59 120.479 120.434 0.045 1
1 495 . 8 1 1 A 60 60 ASP H H 60 8.931 8.818 0.113 1
1 496 . 8 1 1 A 60 60 ASP HA H 60 4.696 4.793 -0.097 1
1 499 . 8 1 1 A 60 60 ASP C C 60 176.608 175.647 0.961 1
1 500 . 8 1 1 A 60 60 ASP CA C 60 55.789 54.844 0.945 1
1 501 . 8 1 1 A 60 60 ASP CB C 60 40.793 41.379 -0.586 1
1 502 . 8 1 1 A 60 60 ASP N N 60 127.746 126.644 1.102 1
1 503 . 8 1 1 A 61 61 VAL H H 61 7.734 8.591 -0.857 1
1 504 . 8 1 1 A 61 61 VAL HA H 61 4.216 4.473 -0.257 1
1 512 . 8 1 1 A 61 61 VAL C C 61 174.993 174.779 0.214 1
1 513 . 8 1 1 A 61 61 VAL CA C 61 60.816 61.182 -0.366 1
1 514 . 8 1 1 A 61 61 VAL CB C 61 32.006 33.069 -1.063 1
1 517 . 8 1 1 A 61 61 VAL N N 61 117.791 122.155 -4.364 1
1 518 . 8 1 1 A 62 62 ASN H H 62 9.011 8.790 0.221 1
1 519 . 8 1 1 A 62 62 ASN HA H 62 5.044 4.850 0.194 1
1 524 . 8 1 1 A 62 62 ASN C C 62 175.375 175.453 -0.078 1
1 525 . 8 1 1 A 62 62 ASN CA C 62 51.604 51.871 -0.267 1
1 526 . 8 1 1 A 62 62 ASN CB C 62 39.209 37.113 2.096 1
1 527 . 8 1 1 A 62 62 ASN N N 62 124.361 123.190 1.171 1
1 529 . 8 1 1 A 63 63 GLY H H 63 8.699 8.840 -0.141 1
1 530 . 8 1 1 A 63 63 GLY HA2 H 63 4.267 3.832 0.435 1
1 531 . 8 1 1 A 63 63 GLY HA3 H 63 3.760 3.849 -0.089 1
1 532 . 8 1 1 A 63 63 GLY C C 63 173.666 174.861 -1.195 1
1 533 . 8 1 1 A 63 63 GLY CA C 63 47.919 47.368 0.551 1
1 534 . 8 1 1 A 63 63 GLY N N 63 113.974 114.663 -0.689 1
1 535 . 8 1 1 A 64 64 ARG H H 64 8.595 8.840 -0.245 1
1 536 . 8 1 1 A 64 64 ARG HA H 64 4.144 4.273 -0.129 1
1 544 . 8 1 1 A 64 64 ARG C C 64 175.001 174.801 0.200 1
1 545 . 8 1 1 A 64 64 ARG CA C 64 55.449 57.114 -1.665 1
1 546 . 8 1 1 A 64 64 ARG CB C 64 31.649 29.738 1.911 1
1 549 . 8 1 1 A 64 64 ARG N N 64 124.516 126.080 -1.564 1
1 551 . 8 1 1 A 65 65 TYR H H 65 7.959 7.634 0.325 1
1 552 . 8 1 1 A 65 65 TYR HA H 65 5.515 5.371 0.144 1
1 559 . 8 1 1 A 65 65 TYR C C 65 176.353 175.894 0.459 1
1 560 . 8 1 1 A 65 65 TYR CA C 65 57.143 56.574 0.569 1
1 561 . 8 1 1 A 65 65 TYR CB C 65 42.338 41.438 0.900 1
1 566 . 8 1 1 A 65 65 TYR N N 65 119.872 119.060 0.812 1
1 567 . 8 1 1 A 66 66 THR H H 66 9.651 9.072 0.579 1
1 568 . 8 1 1 A 66 66 THR HA H 66 4.418 4.444 -0.026 1
1 573 . 8 1 1 A 66 66 THR C C 66 177.773 175.924 1.849 1
1 574 . 8 1 1 A 66 66 THR CA C 66 61.270 61.132 0.138 1
1 575 . 8 1 1 A 66 66 THR CB C 66 71.305 70.674 0.631 1
1 577 . 8 1 1 A 66 66 THR N N 66 111.062 115.079 -4.017 1
1 578 . 8 1 1 A 67 67 ALA H H 67 9.388 8.963 0.425 1
1 579 . 8 1 1 A 67 67 ALA HA H 67 4.109 3.980 0.129 1
1 583 . 8 1 1 A 67 67 ALA C C 67 177.993 179.405 -1.412 1
1 584 . 8 1 1 A 67 67 ALA CA C 67 55.247 55.354 -0.107 1
1 585 . 8 1 1 A 67 67 ALA CB C 67 18.955 18.174 0.781 1
1 586 . 8 1 1 A 67 67 ALA N N 67 125.051 124.371 0.680 1
1 587 . 8 1 1 A 68 68 ASP H H 68 7.980 7.845 0.135 1
1 588 . 8 1 1 A 68 68 ASP HA H 68 4.674 4.578 0.096 1
1 591 . 8 1 1 A 68 68 ASP C C 68 176.691 176.133 0.558 1
1 592 . 8 1 1 A 68 68 ASP CA C 68 52.824 54.620 -1.796 1
1 593 . 8 1 1 A 68 68 ASP CB C 68 39.776 41.254 -1.478 1
1 594 . 8 1 1 A 68 68 ASP N N 68 111.027 116.176 -5.149 1
1 595 . 8 1 1 A 69 69 GLY H H 69 8.052 7.843 0.209 1
1 596 . 8 1 1 A 69 69 GLY HA2 H 69 4.154 4.040 0.114 1
1 597 . 8 1 1 A 69 69 GLY HA3 H 69 3.569 4.079 -0.510 1
1 598 . 8 1 1 A 69 69 GLY C C 69 174.525 174.514 0.011 1
1 599 . 8 1 1 A 69 69 GLY CA C 69 46.273 44.891 1.382 1
1 600 . 8 1 1 A 69 69 GLY N N 69 107.666 107.488 0.178 1
1 601 . 8 1 1 A 70 70 LYS H H 70 7.816 7.579 0.237 1
1 602 . 8 1 1 A 70 70 LYS HA H 70 4.639 4.364 0.275 1
1 611 . 8 1 1 A 70 70 LYS C C 70 176.713 176.646 0.067 1
1 612 . 8 1 1 A 70 70 LYS CA C 70 54.753 56.645 -1.892 1
1 613 . 8 1 1 A 70 70 LYS CB C 70 32.589 33.600 -1.011 1
1 617 . 8 1 1 A 70 70 LYS N N 70 120.047 120.664 -0.617 1
1 618 . 8 1 1 A 71 71 GLU H H 71 9.375 8.547 0.828 1
1 619 . 8 1 1 A 71 71 GLU HA H 71 4.366 4.377 -0.011 1
1 624 . 8 1 1 A 71 71 GLU C C 71 177.910 177.644 0.266 1
1 625 . 8 1 1 A 71 71 GLU CA C 71 58.297 56.880 1.417 1
1 626 . 8 1 1 A 71 71 GLU CB C 71 29.572 31.016 -1.444 1
1 628 . 8 1 1 A 71 71 GLU N N 71 124.416 125.236 -0.820 1
1 629 . 8 1 1 A 72 72 VAL H H 72 9.028 8.892 0.136 1
1 630 . 8 1 1 A 72 72 VAL HA H 72 3.258 3.688 -0.430 1
1 638 . 8 1 1 A 72 72 VAL C C 72 177.159 177.194 -0.035 1
1 639 . 8 1 1 A 72 72 VAL CA C 72 67.561 65.511 2.050 1
1 640 . 8 1 1 A 72 72 VAL CB C 72 31.962 31.475 0.487 1
1 643 . 8 1 1 A 72 72 VAL N N 72 128.216 124.851 3.365 1
1 644 . 8 1 1 A 73 73 LEU H H 73 9.223 8.147 1.076 1
1 645 . 8 1 1 A 73 73 LEU HA H 73 3.972 3.941 0.031 1
1 655 . 8 1 1 A 73 73 LEU C C 73 180.513 179.579 0.934 1
1 656 . 8 1 1 A 73 73 LEU CA C 73 58.658 58.076 0.582 1
1 657 . 8 1 1 A 73 73 LEU CB C 73 40.458 41.187 -0.729 1
1 661 . 8 1 1 A 73 73 LEU N N 73 117.712 121.873 -4.161 1
1 662 . 8 1 1 A 74 74 GLU H H 74 7.456 7.962 -0.506 1
1 663 . 8 1 1 A 74 74 GLU HA H 74 4.133 3.969 0.164 1
1 668 . 8 1 1 A 74 74 GLU C C 74 179.695 178.616 1.079 1
1 669 . 8 1 1 A 74 74 GLU CA C 74 59.092 59.566 -0.474 1
1 670 . 8 1 1 A 74 74 GLU CB C 74 29.845 29.451 0.394 1
1 672 . 8 1 1 A 74 74 GLU N N 74 119.823 120.053 -0.230 1
1 673 . 8 1 1 A 75 75 TYR H H 75 8.706 8.441 0.265 1
1 674 . 8 1 1 A 75 75 TYR HA H 75 4.047 4.157 -0.110 1
1 681 . 8 1 1 A 75 75 TYR C C 75 179.408 176.777 2.631 1
1 682 . 8 1 1 A 75 75 TYR CA C 75 62.106 61.539 0.567 1
1 683 . 8 1 1 A 75 75 TYR CB C 75 39.275 38.790 0.485 1
1 688 . 8 1 1 A 75 75 TYR N N 75 123.223 121.064 2.159 1
1 689 . 8 1 1 A 76 76 LEU H H 76 8.586 8.745 -0.159 1
1 690 . 8 1 1 A 76 76 LEU HA H 76 4.458 3.744 0.714 1
1 700 . 8 1 1 A 76 76 LEU C C 76 178.328 179.150 -0.822 1
1 701 . 8 1 1 A 76 76 LEU CA C 76 55.395 57.710 -2.315 1
1 702 . 8 1 1 A 76 76 LEU CB C 76 41.315 41.525 -0.210 1
1 706 . 8 1 1 A 76 76 LEU N N 76 113.641 119.182 -5.541 1
1 707 . 8 1 1 A 77 77 GLY H H 77 7.868 8.077 -0.209 1
1 708 . 8 1 1 A 77 77 GLY HA2 H 77 4.541 3.930 0.611 1
1 709 . 8 1 1 A 77 77 GLY HA3 H 77 3.946 3.975 -0.029 1
1 710 . 8 1 1 A 77 77 GLY C C 77 172.507 174.592 -2.085 1
1 711 . 8 1 1 A 77 77 GLY CA C 77 45.274 46.651 -1.377 1
1 712 . 8 1 1 A 77 77 GLY N N 77 108.897 106.526 2.371 1
1 713 . 8 1 1 A 78 78 ASN H H 78 7.108 7.670 -0.562 1
1 714 . 8 1 1 A 78 78 ASN HA H 78 5.208 4.780 0.428 1
1 719 . 8 1 1 A 78 78 ASN C C 78 174.475 175.537 -1.062 1
1 720 . 8 1 1 A 78 78 ASN CA C 78 49.514 51.131 -1.617 1
1 721 . 8 1 1 A 78 78 ASN CB C 78 39.531 39.601 -0.070 1
1 722 . 8 1 1 A 78 78 ASN N N 78 119.451 119.616 -0.165 1
1 724 . 8 1 1 A 79 79 PRO HA H 79 3.589 4.344 -0.755 1
1 731 . 8 1 1 A 79 79 PRO C C 79 177.877 177.051 0.826 1
1 732 . 8 1 1 A 79 79 PRO CA C 79 64.697 64.102 0.595 1
1 733 . 8 1 1 A 79 79 PRO CB C 79 30.935 31.584 -0.649 1
1 736 . 8 1 1 A 80 80 ALA H H 80 7.842 8.064 -0.222 1
1 737 . 8 1 1 A 80 80 ALA HA H 80 4.197 4.119 0.078 1
1 741 . 8 1 1 A 80 80 ALA C C 80 178.566 177.532 1.034 1
1 742 . 8 1 1 A 80 80 ALA CA C 80 53.801 53.795 0.006 1
1 743 . 8 1 1 A 80 80 ALA CB C 80 18.366 18.390 -0.024 1
1 744 . 8 1 1 A 80 80 ALA N N 80 119.231 119.404 -0.173 1
1 745 . 8 1 1 A 81 81 ASN H H 81 7.714 7.933 -0.219 1
1 746 . 8 1 1 A 81 81 ASN HA H 81 4.662 4.946 -0.284 1
1 751 . 8 1 1 A 81 81 ASN C C 81 172.714 175.510 -2.796 1
1 752 . 8 1 1 A 81 81 ASN CA C 81 52.960 51.796 1.164 1
1 753 . 8 1 1 A 81 81 ASN CB C 81 37.946 39.079 -1.133 1
1 754 . 8 1 1 A 81 81 ASN N N 81 113.680 116.420 -2.740 1
1 756 . 8 1 1 A 82 82 TYR H H 82 7.299 7.957 -0.658 1
1 757 . 8 1 1 A 82 82 TYR HA H 82 4.283 4.226 0.057 1
1 763 . 8 1 1 A 82 82 TYR C C 82 174.383 176.238 -1.855 1
1 764 . 8 1 1 A 82 82 TYR CA C 82 57.061 60.751 -3.690 1
1 765 . 8 1 1 A 82 82 TYR CB C 82 39.447 37.261 2.186 1
1 770 . 8 1 1 A 82 82 TYR N N 82 118.625 120.610 -1.985 1
1 771 . 8 1 1 A 83 83 PRO HA H 83 4.381 4.886 -0.505 1
1 778 . 8 1 1 A 83 83 PRO CA C 83 62.946 62.756 0.190 1
1 779 . 8 1 1 A 83 83 PRO CB C 83 32.088 31.860 0.228 1
1 782 . 8 1 1 A 84 84 VAL HA H 84 4.956 4.889 0.067 1
1 790 . 8 1 1 A 84 84 VAL CA C 84 59.200 59.705 -0.505 1
1 791 . 8 1 1 A 84 84 VAL CB C 84 35.235 35.550 -0.315 1
1 794 . 8 1 1 A 85 85 SER H H 85 8.491 9.084 -0.593 1
1 795 . 8 1 1 A 85 85 SER HA H 85 5.655 5.037 0.618 1
1 798 . 8 1 1 A 85 85 SER C C 85 174.729 174.105 0.624 1
1 799 . 8 1 1 A 85 85 SER CA C 85 56.679 58.479 -1.800 1
1 800 . 8 1 1 A 85 85 SER CB C 85 64.021 64.113 -0.092 1
1 801 . 8 1 1 A 85 85 SER N N 85 121.531 121.622 -0.091 1
1 802 . 8 1 1 A 86 86 ILE H H 86 9.318 8.526 0.792 1
1 803 . 8 1 1 A 86 86 ILE HA H 86 4.803 4.971 -0.168 1
1 813 . 8 1 1 A 86 86 ILE C C 86 173.918 174.889 -0.971 1
1 814 . 8 1 1 A 86 86 ILE CA C 86 60.802 59.860 0.942 1
1 815 . 8 1 1 A 86 86 ILE CB C 86 41.352 42.363 -1.011 1
1 819 . 8 1 1 A 86 86 ILE N N 86 126.689 124.955 1.734 1
1 820 . 8 1 1 A 88 88 PHE HA H 88 5.866 5.596 0.270 1
1 826 . 8 1 1 A 88 88 PHE C C 88 175.891 175.935 -0.044 1
1 827 . 8 1 1 A 88 88 PHE CA C 88 56.349 55.787 0.562 1
1 828 . 8 1 1 A 88 88 PHE CB C 88 44.020 42.843 1.177 1
1 832 . 8 1 1 A 89 89 GLY H H 89 8.913 8.947 -0.034 1
1 833 . 8 1 1 A 89 89 GLY HA2 H 89 4.090 4.409 -0.319 1
1 834 . 8 1 1 A 89 89 GLY HA3 H 89 4.090 4.522 -0.432 1
1 835 . 8 1 1 A 89 89 GLY C C 89 171.617 172.095 -0.478 1
1 836 . 8 1 1 A 89 89 GLY CA C 89 45.684 45.366 0.318 1
1 837 . 8 1 1 A 89 89 GLY N N 89 105.946 109.140 -3.194 1
1 838 . 8 1 1 A 90 90 ARG H H 90 8.880 8.433 0.447 1
1 839 . 8 1 1 A 90 90 ARG HA H 90 4.628 4.405 0.223 1
1 846 . 8 1 1 A 90 90 ARG CA C 90 54.341 54.690 -0.349 1
1 847 . 8 1 1 A 90 90 ARG CB C 90 30.326 29.413 0.913 1
1 850 . 8 1 1 A 90 90 ARG N N 90 123.099 120.173 2.926 1
1 851 . 8 1 1 A 91 91 PRO HA H 91 4.390 4.536 -0.146 1
1 858 . 8 1 1 A 91 91 PRO CA C 91 62.994 62.791 0.203 1
1 859 . 8 1 1 A 91 91 PRO CB C 91 32.136 32.691 -0.555 1
1 862 . 8 1 1 A 92 92 ARG H H 92 8.506 8.600 -0.094 1
1 863 . 8 1 1 A 92 92 ARG HA H 92 4.321 4.045 0.276 1
1 867 . 8 1 1 A 92 92 ARG C C 92 176.279 178.568 -2.289 1
1 868 . 8 1 1 A 92 92 ARG CA C 92 56.320 58.739 -2.419 1
1 869 . 8 1 1 A 92 92 ARG CB C 92 30.937 29.853 1.084 1
1 871 . 8 1 1 A 92 92 ARG N N 92 121.873 122.475 -0.602 1
1 872 . 8 1 1 A 93 93 LEU H H 93 8.537 7.891 0.646 1
1 873 . 8 1 1 A 93 93 LEU HA H 93 4.479 4.166 0.313 1
1 876 . 8 1 1 A 93 93 LEU C C 93 177.444 176.437 1.007 1
1 877 . 8 1 1 A 93 93 LEU CA C 93 55.187 57.171 -1.984 1
1 878 . 8 1 1 A 93 93 LEU CB C 93 42.551 42.848 -0.297 1
1 879 . 8 1 1 A 93 93 LEU N N 93 124.440 121.400 3.040 1
1 880 . 8 1 1 A 94 94 THR H H 94 8.183 8.268 -0.085 1
1 881 . 8 1 1 A 94 94 THR HA H 94 4.444 3.990 0.454 1
1 886 . 8 1 1 A 94 94 THR C C 94 174.383 174.060 0.323 1
1 887 . 8 1 1 A 94 94 THR CA C 94 61.515 62.749 -1.234 1
1 888 . 8 1 1 A 94 94 THR CB C 94 70.080 66.247 3.833 1
1 890 . 8 1 1 A 94 94 THR N N 94 114.261 113.495 0.766 1
1 891 . 8 1 1 A 95 95 SER H H 95 8.394 7.956 0.438 1
1 892 . 8 1 1 A 95 95 SER HA H 95 4.502 4.655 -0.153 1
1 895 . 8 1 1 A 95 95 SER C C 95 173.465 174.218 -0.753 1
1 896 . 8 1 1 A 95 95 SER CA C 95 58.383 57.598 0.785 1
1 897 . 8 1 1 A 95 95 SER CB C 95 64.103 61.239 2.864 1
1 898 . 8 1 1 A 95 95 SER N N 95 117.878 117.044 0.834 1
1 1 . 9 1 1 A 2 2 GLY H H 2 8.575 8.252 0.323 1
1 2 . 9 1 1 A 2 2 GLY HA3 H 2 3.941 4.139 -0.198 1
1 3 . 9 1 1 A 2 2 GLY CA C 2 45.109 45.828 -0.719 1
1 4 . 9 1 1 A 2 2 GLY N N 2 110.363 111.638 -1.275 1
1 5 . 9 1 1 A 3 3 HIS H H 3 8.398 8.537 -0.139 1
1 7 . 9 1 1 A 3 3 HIS CA C 3 55.958 58.863 -2.905 1
1 8 . 9 1 1 A 3 3 HIS CB C 3 29.588 30.317 -0.729 1
1 9 . 9 1 1 A 3 3 HIS N N 3 118.248 118.790 -0.542 1
1 10 . 9 1 1 A 6 6 HIS HA H 6 4.637 4.584 0.053 1
1 12 . 9 1 1 A 6 6 HIS CA C 6 55.805 55.390 0.415 1
1 13 . 9 1 1 A 6 6 HIS CB C 6 29.866 28.347 1.519 1
1 14 . 9 1 1 A 7 7 HIS H H 7 8.775 8.605 0.170 1
1 15 . 9 1 1 A 7 7 HIS HA H 7 4.639 4.177 0.462 1
1 18 . 9 1 1 A 7 7 HIS CA C 7 55.959 57.307 -1.348 1
1 19 . 9 1 1 A 7 7 HIS CB C 7 29.834 30.306 -0.472 1
1 20 . 9 1 1 A 7 7 HIS N N 7 120.965 125.217 -4.252 1
1 21 . 9 1 1 A 8 8 HIS H H 8 8.591 7.414 1.177 1
1 22 . 9 1 1 A 8 8 HIS HA H 8 4.447 4.644 -0.197 1
1 25 . 9 1 1 A 8 8 HIS CA C 8 56.009 57.266 -1.257 1
1 26 . 9 1 1 A 8 8 HIS CB C 8 32.890 28.832 4.058 1
1 27 . 9 1 1 A 8 8 HIS N N 8 122.251 122.738 -0.487 1
1 28 . 9 1 1 A 9 9 LEU H H 9 8.430 7.515 0.915 1
1 29 . 9 1 1 A 9 9 LEU HA H 9 4.359 4.126 0.233 1
1 39 . 9 1 1 A 9 9 LEU C C 9 177.241 177.752 -0.511 1
1 40 . 9 1 1 A 9 9 LEU CA C 9 55.395 55.670 -0.275 1
1 41 . 9 1 1 A 9 9 LEU CB C 9 42.317 44.128 -1.811 1
1 45 . 9 1 1 A 9 9 LEU N N 9 123.074 122.321 0.753 1
1 46 . 9 1 1 A 10 10 ASP H H 10 8.358 9.055 -0.697 1
1 47 . 9 1 1 A 10 10 ASP HA H 10 4.606 4.228 0.378 1
1 50 . 9 1 1 A 10 10 ASP C C 10 176.490 177.715 -1.225 1
1 51 . 9 1 1 A 10 10 ASP CA C 10 54.541 55.728 -1.187 1
1 52 . 9 1 1 A 10 10 ASP CB C 10 41.244 40.785 0.459 1
1 53 . 9 1 1 A 10 10 ASP N N 10 121.299 127.948 -6.649 1
1 54 . 9 1 1 A 11 11 SER H H 11 8.212 8.260 -0.048 1
1 55 . 9 1 1 A 11 11 SER HA H 11 4.367 4.330 0.037 1
1 58 . 9 1 1 A 11 11 SER C C 11 174.210 174.235 -0.025 1
1 59 . 9 1 1 A 11 11 SER CA C 11 58.750 61.763 -3.013 1
1 60 . 9 1 1 A 11 11 SER CB C 11 63.743 63.006 0.737 1
1 61 . 9 1 1 A 11 11 SER N N 11 115.863 113.301 2.562 1
1 62 . 9 1 1 A 12 12 TYR H H 12 8.207 7.545 0.662 1
1 63 . 9 1 1 A 12 12 TYR HA H 12 4.562 4.985 -0.423 1
1 70 . 9 1 1 A 12 12 TYR C C 12 175.105 174.619 0.486 1
1 71 . 9 1 1 A 12 12 TYR CA C 12 57.994 55.559 2.435 1
1 72 . 9 1 1 A 12 12 TYR CB C 12 38.821 41.699 -2.878 1
1 77 . 9 1 1 A 12 12 TYR N N 12 121.901 117.562 4.339 1
1 78 . 9 1 1 A 13 13 ALA H H 13 8.033 8.649 -0.616 1
1 79 . 9 1 1 A 13 13 ALA HA H 13 4.552 4.283 0.269 1
1 83 . 9 1 1 A 13 13 ALA C C 13 174.997 177.749 -2.752 1
1 84 . 9 1 1 A 13 13 ALA CA C 13 50.585 52.210 -1.625 1
1 85 . 9 1 1 A 13 13 ALA CB C 13 18.488 21.622 -3.134 1
1 86 . 9 1 1 A 13 13 ALA N N 13 126.839 120.930 5.909 1
1 87 . 9 1 1 A 14 14 PRO HA H 14 4.390 4.551 -0.161 1
1 94 . 9 1 1 A 14 14 PRO C C 14 176.894 176.753 0.141 1
1 95 . 9 1 1 A 14 14 PRO CA C 14 63.199 62.980 0.219 1
1 96 . 9 1 1 A 14 14 PRO CB C 14 32.210 32.716 -0.506 1
1 99 . 9 1 1 A 15 15 ARG H H 15 8.492 8.395 0.097 1
1 100 . 9 1 1 A 15 15 ARG HA H 15 4.357 4.700 -0.343 1
1 104 . 9 1 1 A 15 15 ARG C C 15 176.040 175.953 0.087 1
1 105 . 9 1 1 A 15 15 ARG CA C 15 56.029 55.524 0.505 1
1 106 . 9 1 1 A 15 15 ARG CB C 15 31.097 31.780 -0.683 1
1 108 . 9 1 1 A 15 15 ARG N N 15 121.148 117.033 4.115 1
1 109 . 9 1 1 A 16 16 ALA H H 16 8.511 7.649 0.862 1
1 110 . 9 1 1 A 16 16 ALA HA H 16 4.352 4.696 -0.344 1
1 114 . 9 1 1 A 16 16 ALA C C 16 177.569 176.196 1.373 1
1 115 . 9 1 1 A 16 16 ALA CA C 16 52.771 50.882 1.889 1
1 116 . 9 1 1 A 16 16 ALA CB C 16 19.291 22.737 -3.446 1
1 117 . 9 1 1 A 16 16 ALA N N 16 125.410 120.869 4.541 1
1 118 . 9 1 1 A 17 17 GLU H H 17 8.513 8.714 -0.201 1
1 119 . 9 1 1 A 17 17 GLU HA H 17 4.681 3.798 0.883 1
1 124 . 9 1 1 A 17 17 GLU C C 17 176.040 175.018 1.022 1
1 125 . 9 1 1 A 17 17 GLU CA C 17 56.240 57.263 -1.023 1
1 126 . 9 1 1 A 17 17 GLU CB C 17 31.430 27.957 3.473 1
1 128 . 9 1 1 A 17 17 GLU N N 17 120.135 115.727 4.408 1
1 129 . 9 1 1 A 20 20 LYS HA H 20 4.642 4.498 0.144 1
1 132 . 9 1 1 A 20 20 LYS C C 20 174.395 175.651 -1.256 1
1 133 . 9 1 1 A 20 20 LYS CA C 20 55.041 54.136 0.905 1
1 134 . 9 1 1 A 20 20 LYS CB C 20 36.603 36.078 0.525 1
1 135 . 9 1 1 A 21 21 THR H H 21 8.278 8.191 0.087 1
1 136 . 9 1 1 A 21 21 THR HA H 21 5.185 4.389 0.796 1
1 141 . 9 1 1 A 21 21 THR C C 21 174.123 173.910 0.213 1
1 142 . 9 1 1 A 21 21 THR CA C 21 62.206 61.581 0.625 1
1 143 . 9 1 1 A 21 21 THR CB C 21 69.740 69.710 0.030 1
1 145 . 9 1 1 A 21 21 THR N N 21 118.285 113.586 4.699 1
1 146 . 9 1 1 A 22 22 PHE H H 22 9.552 9.154 0.398 1
1 147 . 9 1 1 A 22 22 PHE HA H 22 4.934 5.011 -0.077 1
1 155 . 9 1 1 A 22 22 PHE CA C 22 57.809 56.108 1.701 1
1 156 . 9 1 1 A 22 22 PHE CB C 22 43.018 43.556 -0.538 1
1 162 . 9 1 1 A 22 22 PHE N N 22 125.884 121.003 4.881 1
1 163 . 9 1 1 A 23 23 SER H H 23 8.489 8.594 -0.105 1
1 164 . 9 1 1 A 23 23 SER HA H 23 4.874 5.007 -0.133 1
1 167 . 9 1 1 A 23 23 SER CA C 23 57.308 57.195 0.113 1
1 168 . 9 1 1 A 23 23 SER CB C 23 65.134 67.529 -2.395 1
1 169 . 9 1 1 A 23 23 SER N N 23 116.064 115.104 0.960 1
1 170 . 9 1 1 A 24 24 TYR H H 24 8.561 8.503 0.058 1
1 171 . 9 1 1 A 24 24 TYR HA H 24 3.787 4.798 -1.011 1
1 178 . 9 1 1 A 24 24 TYR CA C 24 55.942 55.468 0.474 1
1 179 . 9 1 1 A 24 24 TYR CB C 24 39.190 41.200 -2.010 1
1 184 . 9 1 1 A 24 24 TYR N N 24 120.614 118.591 2.023 1
1 185 . 9 1 1 A 25 25 PRO HA H 25 3.195 4.622 -1.427 1
1 192 . 9 1 1 A 25 25 PRO CA C 25 61.641 62.929 -1.288 1
1 193 . 9 1 1 A 25 25 PRO CB C 25 33.950 33.069 0.881 1
1 196 . 9 1 1 A 29 29 LEU HA H 29 4.651 4.993 -0.342 1
1 199 . 9 1 1 A 29 29 LEU C C 29 175.676 174.001 1.675 1
1 200 . 9 1 1 A 29 29 LEU CA C 29 54.443 53.650 0.793 1
1 201 . 9 1 1 A 29 29 LEU CB C 29 43.096 46.551 -3.455 1
1 204 . 9 1 1 A 30 30 LEU H H 30 8.665 8.690 -0.025 1
1 205 . 9 1 1 A 30 30 LEU HA H 30 5.369 5.452 -0.083 1
1 212 . 9 1 1 A 30 30 LEU C C 30 176.370 175.592 0.778 1
1 213 . 9 1 1 A 30 30 LEU CA C 30 53.005 53.725 -0.720 1
1 214 . 9 1 1 A 30 30 LEU CB C 30 43.867 45.830 -1.963 1
1 217 . 9 1 1 A 30 30 LEU N N 30 126.293 125.033 1.260 1
1 218 . 9 1 1 A 31 31 LYS H H 31 9.288 9.118 0.170 1
1 219 . 9 1 1 A 31 31 LYS HA H 31 4.664 4.940 -0.276 1
1 228 . 9 1 1 A 31 31 LYS C C 31 173.995 174.649 -0.654 1
1 229 . 9 1 1 A 31 31 LYS CA C 31 54.758 54.338 0.420 1
1 230 . 9 1 1 A 31 31 LYS CB C 31 37.173 36.331 0.842 1
1 234 . 9 1 1 A 31 31 LYS N N 31 119.484 119.115 0.369 1
1 235 . 9 1 1 A 32 32 LEU H H 32 8.724 8.632 0.092 1
1 236 . 9 1 1 A 32 32 LEU HA H 32 4.972 5.066 -0.094 1
1 246 . 9 1 1 A 32 32 LEU C C 32 177.274 175.586 1.688 1
1 247 . 9 1 1 A 32 32 LEU CA C 32 54.494 54.000 0.494 1
1 248 . 9 1 1 A 32 32 LEU CB C 32 43.119 43.810 -0.691 1
1 252 . 9 1 1 A 32 32 LEU N N 32 124.082 123.993 0.089 1
1 253 . 9 1 1 A 33 33 HIS H H 33 9.361 9.285 0.076 1
1 254 . 9 1 1 A 33 33 HIS HA H 33 4.698 4.870 -0.172 1
1 257 . 9 1 1 A 33 33 HIS C C 33 174.092 173.927 0.165 1
1 258 . 9 1 1 A 33 33 HIS CA C 33 56.497 55.777 0.720 1
1 259 . 9 1 1 A 33 33 HIS CB C 33 32.274 33.785 -1.511 1
1 260 . 9 1 1 A 33 33 HIS N N 33 125.743 125.313 0.430 1
1 261 . 9 1 1 A 34 34 ASP H H 34 9.134 9.094 0.040 1
1 262 . 9 1 1 A 34 34 ASP HA H 34 4.146 3.971 0.175 1
1 265 . 9 1 1 A 34 34 ASP C C 34 174.644 175.027 -0.383 1
1 266 . 9 1 1 A 34 34 ASP CA C 34 55.976 54.886 1.090 1
1 267 . 9 1 1 A 34 34 ASP CB C 34 39.179 39.319 -0.140 1
1 268 . 9 1 1 A 34 34 ASP N N 34 128.890 126.695 2.195 1
1 269 . 9 1 1 A 35 35 GLU H H 35 8.648 8.462 0.186 1
1 270 . 9 1 1 A 35 35 GLU HA H 35 3.681 3.722 -0.041 1
1 275 . 9 1 1 A 35 35 GLU C C 35 174.234 174.824 -0.590 1
1 276 . 9 1 1 A 35 35 GLU CA C 35 57.346 57.752 -0.406 1
1 277 . 9 1 1 A 35 35 GLU CB C 35 27.735 27.455 0.280 1
1 279 . 9 1 1 A 35 35 GLU N N 35 109.734 110.453 -0.719 1
1 280 . 9 1 1 A 36 36 ARG H H 36 7.710 7.551 0.159 1
1 281 . 9 1 1 A 36 36 ARG HA H 36 4.515 5.203 -0.688 1
1 285 . 9 1 1 A 36 36 ARG C C 36 174.063 174.736 -0.673 1
1 286 . 9 1 1 A 36 36 ARG CA C 36 54.212 54.255 -0.043 1
1 287 . 9 1 1 A 36 36 ARG CB C 36 33.371 34.481 -1.110 1
1 289 . 9 1 1 A 36 36 ARG N N 36 116.091 117.925 -1.834 1
1 290 . 9 1 1 A 37 37 VAL H H 37 8.803 8.542 0.261 1
1 291 . 9 1 1 A 37 37 VAL HA H 37 4.375 4.945 -0.570 1
1 299 . 9 1 1 A 37 37 VAL C C 37 174.388 174.730 -0.342 1
1 300 . 9 1 1 A 37 37 VAL CA C 37 62.620 61.233 1.387 1
1 301 . 9 1 1 A 37 37 VAL CB C 37 31.484 34.059 -2.575 1
1 304 . 9 1 1 A 37 37 VAL N N 37 122.430 121.013 1.417 1
1 305 . 9 1 1 A 38 38 LEU H H 38 8.966 9.335 -0.369 1
1 306 . 9 1 1 A 38 38 LEU HA H 38 5.495 5.312 0.183 1
1 316 . 9 1 1 A 38 38 LEU C C 38 177.365 176.375 0.990 1
1 317 . 9 1 1 A 38 38 LEU CA C 38 52.624 53.374 -0.750 1
1 318 . 9 1 1 A 38 38 LEU CB C 38 46.189 45.035 1.154 1
1 322 . 9 1 1 A 38 38 LEU N N 38 125.739 127.620 -1.881 1
1 323 . 9 1 1 A 39 39 VAL H H 39 8.899 9.312 -0.413 1
1 324 . 9 1 1 A 39 39 VAL HA H 39 4.006 3.913 0.093 1
1 332 . 9 1 1 A 39 39 VAL C C 39 176.380 175.867 0.513 1
1 333 . 9 1 1 A 39 39 VAL CA C 39 63.763 63.416 0.347 1
1 334 . 9 1 1 A 39 39 VAL CB C 39 31.629 30.765 0.864 1
1 337 . 9 1 1 A 39 39 VAL N N 39 119.125 122.960 -3.835 1
1 338 . 9 1 1 A 40 40 ALA H H 40 9.755 8.815 0.940 1
1 339 . 9 1 1 A 40 40 ALA HA H 40 4.533 4.066 0.467 1
1 343 . 9 1 1 A 40 40 ALA C C 40 176.636 176.625 0.011 1
1 344 . 9 1 1 A 40 40 ALA CA C 40 52.536 53.936 -1.400 1
1 345 . 9 1 1 A 40 40 ALA CB C 40 20.860 19.956 0.904 1
1 346 . 9 1 1 A 40 40 ALA N N 40 133.618 130.468 3.150 1
1 347 . 9 1 1 A 41 41 PHE H H 41 7.761 7.418 0.343 1
1 348 . 9 1 1 A 41 41 PHE HA H 41 4.299 5.006 -0.707 1
1 353 . 9 1 1 A 41 41 PHE C C 41 172.990 174.459 -1.469 1
1 354 . 9 1 1 A 41 41 PHE CA C 41 59.306 56.060 3.246 1
1 355 . 9 1 1 A 41 41 PHE CB C 41 42.621 43.643 -1.022 1
1 358 . 9 1 1 A 41 41 PHE N N 41 117.497 113.000 4.497 1
1 359 . 9 1 1 A 42 42 GLY H H 42 7.709 8.599 -0.890 1
1 360 . 9 1 1 A 42 42 GLY HA2 H 42 4.190 4.126 0.064 1
1 361 . 9 1 1 A 42 42 GLY HA3 H 42 3.327 4.153 -0.826 1
1 362 . 9 1 1 A 42 42 GLY C C 42 171.542 175.132 -3.590 1
1 363 . 9 1 1 A 42 42 GLY CA C 42 44.310 45.455 -1.145 1
1 364 . 9 1 1 A 42 42 GLY N N 42 114.790 109.104 5.686 1
1 365 . 9 1 1 A 43 43 GLN HA H 43 4.366 4.000 0.366 1
1 372 . 9 1 1 A 43 43 GLN CA C 43 55.207 58.864 -3.657 1
1 373 . 9 1 1 A 43 43 GLN CB C 43 30.347 28.416 1.931 1
1 376 . 9 1 1 A 49 49 VAL HA H 49 3.386 3.763 -0.377 1
1 384 . 9 1 1 A 49 49 VAL C C 49 177.680 177.187 0.493 1
1 385 . 9 1 1 A 49 49 VAL CA C 49 64.730 65.132 -0.402 1
1 386 . 9 1 1 A 49 49 VAL CB C 49 31.489 31.531 -0.042 1
1 389 . 9 1 1 A 50 50 GLY H H 50 9.040 8.871 0.169 1
1 390 . 9 1 1 A 50 50 GLY HA2 H 50 4.505 3.830 0.675 1
1 391 . 9 1 1 A 50 50 GLY HA3 H 50 3.562 3.865 -0.303 1
1 392 . 9 1 1 A 50 50 GLY C C 50 175.034 174.286 0.748 1
1 393 . 9 1 1 A 50 50 GLY CA C 50 44.901 45.127 -0.226 1
1 394 . 9 1 1 A 50 50 GLY N N 50 115.994 114.784 1.210 1
1 395 . 9 1 1 A 51 51 HIS H H 51 8.228 7.609 0.619 1
1 396 . 9 1 1 A 51 51 HIS HA H 51 4.614 4.600 0.014 1
1 400 . 9 1 1 A 51 51 HIS C C 51 174.681 174.260 0.421 1
1 401 . 9 1 1 A 51 51 HIS CA C 51 57.434 56.176 1.258 1
1 402 . 9 1 1 A 51 51 HIS CB C 51 32.934 30.955 1.979 1
1 404 . 9 1 1 A 51 51 HIS N N 51 120.280 119.319 0.961 1
1 405 . 9 1 1 A 52 52 ALA H H 52 9.229 9.037 0.192 1
1 406 . 9 1 1 A 52 52 ALA HA H 52 5.587 5.230 0.357 1
1 410 . 9 1 1 A 52 52 ALA C C 52 177.988 176.478 1.510 1
1 411 . 9 1 1 A 52 52 ALA CA C 52 50.053 50.324 -0.271 1
1 412 . 9 1 1 A 52 52 ALA CB C 52 22.023 23.280 -1.257 1
1 413 . 9 1 1 A 52 52 ALA N N 52 121.598 122.278 -0.680 1
1 414 . 9 1 1 A 53 53 VAL HA H 53 3.473 4.215 -0.742 1
1 422 . 9 1 1 A 53 53 VAL C C 53 175.227 175.955 -0.728 1
1 423 . 9 1 1 A 53 53 VAL CA C 53 63.914 63.690 0.224 1
1 424 . 9 1 1 A 53 53 VAL CB C 53 32.339 32.174 0.165 1
1 427 . 9 1 1 A 54 54 LEU H H 54 9.067 9.385 -0.318 1
1 428 . 9 1 1 A 54 54 LEU HA H 54 4.599 4.596 0.003 1
1 434 . 9 1 1 A 54 54 LEU C C 54 178.208 176.628 1.580 1
1 435 . 9 1 1 A 54 54 LEU CA C 54 55.084 55.839 -0.755 1
1 436 . 9 1 1 A 54 54 LEU CB C 54 43.490 43.823 -0.333 1
1 439 . 9 1 1 A 54 54 LEU N N 54 126.184 127.219 -1.035 1
1 440 . 9 1 1 A 55 55 ALA H H 55 7.665 7.610 0.055 1
1 441 . 9 1 1 A 55 55 ALA HA H 55 4.889 4.969 -0.080 1
1 445 . 9 1 1 A 55 55 ALA C C 55 175.085 175.179 -0.094 1
1 446 . 9 1 1 A 55 55 ALA CA C 55 52.600 51.575 1.025 1
1 447 . 9 1 1 A 55 55 ALA CB C 55 21.847 22.904 -1.057 1
1 448 . 9 1 1 A 55 55 ALA N N 55 119.807 117.039 2.768 1
1 449 . 9 1 1 A 56 56 ILE H H 56 8.209 8.742 -0.533 1
1 450 . 9 1 1 A 56 56 ILE HA H 56 4.643 4.794 -0.151 1
1 460 . 9 1 1 A 56 56 ILE C C 56 176.001 176.340 -0.339 1
1 461 . 9 1 1 A 56 56 ILE CA C 56 59.817 60.170 -0.353 1
1 462 . 9 1 1 A 56 56 ILE CB C 56 41.035 40.579 0.456 1
1 466 . 9 1 1 A 56 56 ILE N N 56 119.114 118.752 0.362 1
1 467 . 9 1 1 A 57 57 ASN H H 57 10.090 9.532 0.558 1
1 468 . 9 1 1 A 57 57 ASN HA H 57 4.523 4.503 0.020 1
1 473 . 9 1 1 A 57 57 ASN C C 57 175.371 175.659 -0.288 1
1 474 . 9 1 1 A 57 57 ASN CA C 57 54.161 54.078 0.083 1
1 475 . 9 1 1 A 57 57 ASN CB C 57 36.953 36.470 0.483 1
1 476 . 9 1 1 A 57 57 ASN N N 57 128.487 126.076 2.411 1
1 478 . 9 1 1 A 58 58 GLY H H 58 9.200 8.306 0.894 1
1 479 . 9 1 1 A 58 58 GLY HA2 H 58 4.080 3.917 0.163 1
1 480 . 9 1 1 A 58 58 GLY HA3 H 58 3.513 3.925 -0.412 1
1 481 . 9 1 1 A 58 58 GLY C C 58 174.149 174.209 -0.060 1
1 482 . 9 1 1 A 58 58 GLY CA C 58 45.464 45.038 0.426 1
1 483 . 9 1 1 A 58 58 GLY N N 58 103.720 108.838 -5.118 1
1 484 . 9 1 1 A 59 59 MET H H 59 7.852 8.183 -0.331 1
1 485 . 9 1 1 A 59 59 MET HA H 59 4.801 4.297 0.504 1
1 490 . 9 1 1 A 59 59 MET C C 59 175.661 175.375 0.286 1
1 491 . 9 1 1 A 59 59 MET CA C 59 53.528 54.566 -1.038 1
1 492 . 9 1 1 A 59 59 MET CB C 59 33.623 31.768 1.855 1
1 494 . 9 1 1 A 59 59 MET N N 59 120.479 121.088 -0.609 1
1 495 . 9 1 1 A 60 60 ASP H H 60 8.931 8.595 0.336 1
1 496 . 9 1 1 A 60 60 ASP HA H 60 4.696 4.729 -0.033 1
1 499 . 9 1 1 A 60 60 ASP C C 60 176.608 175.527 1.081 1
1 500 . 9 1 1 A 60 60 ASP CA C 60 55.789 54.773 1.016 1
1 501 . 9 1 1 A 60 60 ASP CB C 60 40.793 41.363 -0.570 1
1 502 . 9 1 1 A 60 60 ASP N N 60 127.746 126.323 1.423 1
1 503 . 9 1 1 A 61 61 VAL H H 61 7.734 8.522 -0.788 1
1 504 . 9 1 1 A 61 61 VAL HA H 61 4.216 4.327 -0.111 1
1 512 . 9 1 1 A 61 61 VAL C C 61 174.993 174.860 0.133 1
1 513 . 9 1 1 A 61 61 VAL CA C 61 60.816 61.583 -0.767 1
1 514 . 9 1 1 A 61 61 VAL CB C 61 32.006 32.444 -0.438 1
1 517 . 9 1 1 A 61 61 VAL N N 61 117.791 123.469 -5.678 1
1 518 . 9 1 1 A 62 62 ASN H H 62 9.011 8.991 0.020 1
1 519 . 9 1 1 A 62 62 ASN HA H 62 5.044 4.904 0.140 1
1 524 . 9 1 1 A 62 62 ASN C C 62 175.375 175.818 -0.443 1
1 525 . 9 1 1 A 62 62 ASN CA C 62 51.604 52.238 -0.634 1
1 526 . 9 1 1 A 62 62 ASN CB C 62 39.209 37.386 1.823 1
1 527 . 9 1 1 A 62 62 ASN N N 62 124.361 124.746 -0.385 1
1 529 . 9 1 1 A 63 63 GLY H H 63 8.699 8.758 -0.059 1
1 530 . 9 1 1 A 63 63 GLY HA2 H 63 4.267 3.824 0.443 1
1 531 . 9 1 1 A 63 63 GLY HA3 H 63 3.760 3.844 -0.084 1
1 532 . 9 1 1 A 63 63 GLY C C 63 173.666 174.438 -0.772 1
1 533 . 9 1 1 A 63 63 GLY CA C 63 47.919 47.139 0.780 1
1 534 . 9 1 1 A 63 63 GLY N N 63 113.974 114.765 -0.791 1
1 535 . 9 1 1 A 64 64 ARG H H 64 8.595 8.389 0.206 1
1 536 . 9 1 1 A 64 64 ARG HA H 64 4.144 4.370 -0.226 1
1 544 . 9 1 1 A 64 64 ARG C C 64 175.001 174.573 0.428 1
1 545 . 9 1 1 A 64 64 ARG CA C 64 55.449 55.353 0.096 1
1 546 . 9 1 1 A 64 64 ARG CB C 64 31.649 31.724 -0.075 1
1 549 . 9 1 1 A 64 64 ARG N N 64 124.516 120.779 3.737 1
1 551 . 9 1 1 A 65 65 TYR H H 65 7.959 7.634 0.325 1
1 552 . 9 1 1 A 65 65 TYR HA H 65 5.515 5.356 0.159 1
1 559 . 9 1 1 A 65 65 TYR C C 65 176.353 175.971 0.382 1
1 560 . 9 1 1 A 65 65 TYR CA C 65 57.143 56.851 0.292 1
1 561 . 9 1 1 A 65 65 TYR CB C 65 42.338 41.580 0.758 1
1 566 . 9 1 1 A 65 65 TYR N N 65 119.872 118.745 1.127 1
1 567 . 9 1 1 A 66 66 THR H H 66 9.651 9.037 0.614 1
1 568 . 9 1 1 A 66 66 THR HA H 66 4.418 4.496 -0.078 1
1 573 . 9 1 1 A 66 66 THR C C 66 177.773 176.009 1.764 1
1 574 . 9 1 1 A 66 66 THR CA C 66 61.270 61.135 0.135 1
1 575 . 9 1 1 A 66 66 THR CB C 66 71.305 70.619 0.686 1
1 577 . 9 1 1 A 66 66 THR N N 66 111.062 114.617 -3.555 1
1 578 . 9 1 1 A 67 67 ALA H H 67 9.388 8.993 0.395 1
1 579 . 9 1 1 A 67 67 ALA HA H 67 4.109 3.994 0.115 1
1 583 . 9 1 1 A 67 67 ALA C C 67 177.993 179.358 -1.365 1
1 584 . 9 1 1 A 67 67 ALA CA C 67 55.247 55.257 -0.010 1
1 585 . 9 1 1 A 67 67 ALA CB C 67 18.955 18.253 0.702 1
1 586 . 9 1 1 A 67 67 ALA N N 67 125.051 124.421 0.630 1
1 587 . 9 1 1 A 68 68 ASP H H 68 7.980 7.867 0.113 1
1 588 . 9 1 1 A 68 68 ASP HA H 68 4.674 4.588 0.086 1
1 591 . 9 1 1 A 68 68 ASP C C 68 176.691 176.166 0.525 1
1 592 . 9 1 1 A 68 68 ASP CA C 68 52.824 54.471 -1.647 1
1 593 . 9 1 1 A 68 68 ASP CB C 68 39.776 41.131 -1.355 1
1 594 . 9 1 1 A 68 68 ASP N N 68 111.027 115.576 -4.549 1
1 595 . 9 1 1 A 69 69 GLY H H 69 8.052 7.719 0.333 1
1 596 . 9 1 1 A 69 69 GLY HA2 H 69 4.154 3.983 0.171 1
1 597 . 9 1 1 A 69 69 GLY HA3 H 69 3.569 4.019 -0.450 1
1 598 . 9 1 1 A 69 69 GLY C C 69 174.525 174.439 0.086 1
1 599 . 9 1 1 A 69 69 GLY CA C 69 46.273 44.901 1.372 1
1 600 . 9 1 1 A 69 69 GLY N N 69 107.666 107.448 0.218 1
1 601 . 9 1 1 A 70 70 LYS H H 70 7.816 7.523 0.293 1
1 602 . 9 1 1 A 70 70 LYS HA H 70 4.639 4.359 0.280 1
1 611 . 9 1 1 A 70 70 LYS C C 70 176.713 176.473 0.240 1
1 612 . 9 1 1 A 70 70 LYS CA C 70 54.753 56.224 -1.471 1
1 613 . 9 1 1 A 70 70 LYS CB C 70 32.589 33.374 -0.785 1
1 617 . 9 1 1 A 70 70 LYS N N 70 120.047 120.401 -0.354 1
1 618 . 9 1 1 A 71 71 GLU H H 71 9.375 8.612 0.763 1
1 619 . 9 1 1 A 71 71 GLU HA H 71 4.366 4.542 -0.176 1
1 624 . 9 1 1 A 71 71 GLU C C 71 177.910 178.022 -0.112 1
1 625 . 9 1 1 A 71 71 GLU CA C 71 58.297 57.202 1.095 1
1 626 . 9 1 1 A 71 71 GLU CB C 71 29.572 31.326 -1.754 1
1 628 . 9 1 1 A 71 71 GLU N N 71 124.416 125.199 -0.783 1
1 629 . 9 1 1 A 72 72 VAL H H 72 9.028 8.753 0.275 1
1 630 . 9 1 1 A 72 72 VAL HA H 72 3.258 3.786 -0.528 1
1 638 . 9 1 1 A 72 72 VAL C C 72 177.159 177.254 -0.095 1
1 639 . 9 1 1 A 72 72 VAL CA C 72 67.561 66.941 0.620 1
1 640 . 9 1 1 A 72 72 VAL CB C 72 31.962 31.617 0.345 1
1 643 . 9 1 1 A 72 72 VAL N N 72 128.216 125.599 2.617 1
1 644 . 9 1 1 A 73 73 LEU H H 73 9.223 8.244 0.979 1
1 645 . 9 1 1 A 73 73 LEU HA H 73 3.972 3.940 0.032 1
1 655 . 9 1 1 A 73 73 LEU C C 73 180.513 179.497 1.016 1
1 656 . 9 1 1 A 73 73 LEU CA C 73 58.658 58.100 0.558 1
1 657 . 9 1 1 A 73 73 LEU CB C 73 40.458 40.894 -0.436 1
1 661 . 9 1 1 A 73 73 LEU N N 73 117.712 119.691 -1.979 1
1 662 . 9 1 1 A 74 74 GLU H H 74 7.456 8.002 -0.546 1
1 663 . 9 1 1 A 74 74 GLU HA H 74 4.133 3.994 0.139 1
1 668 . 9 1 1 A 74 74 GLU C C 74 179.695 178.744 0.951 1
1 669 . 9 1 1 A 74 74 GLU CA C 74 59.092 59.552 -0.460 1
1 670 . 9 1 1 A 74 74 GLU CB C 74 29.845 29.324 0.521 1
1 672 . 9 1 1 A 74 74 GLU N N 74 119.823 120.521 -0.698 1
1 673 . 9 1 1 A 75 75 TYR H H 75 8.706 8.573 0.133 1
1 674 . 9 1 1 A 75 75 TYR HA H 75 4.047 4.239 -0.192 1
1 681 . 9 1 1 A 75 75 TYR C C 75 179.408 176.862 2.546 1
1 682 . 9 1 1 A 75 75 TYR CA C 75 62.106 61.606 0.500 1
1 683 . 9 1 1 A 75 75 TYR CB C 75 39.275 38.864 0.411 1
1 688 . 9 1 1 A 75 75 TYR N N 75 123.223 121.321 1.902 1
1 689 . 9 1 1 A 76 76 LEU H H 76 8.586 8.747 -0.161 1
1 690 . 9 1 1 A 76 76 LEU HA H 76 4.458 3.978 0.480 1
1 700 . 9 1 1 A 76 76 LEU C C 76 178.328 179.470 -1.142 1
1 701 . 9 1 1 A 76 76 LEU CA C 76 55.395 57.901 -2.506 1
1 702 . 9 1 1 A 76 76 LEU CB C 76 41.315 41.706 -0.391 1
1 706 . 9 1 1 A 76 76 LEU N N 76 113.641 119.042 -5.401 1
1 707 . 9 1 1 A 77 77 GLY H H 77 7.868 8.101 -0.233 1
1 708 . 9 1 1 A 77 77 GLY HA2 H 77 4.541 3.903 0.638 1
1 709 . 9 1 1 A 77 77 GLY HA3 H 77 3.946 3.912 0.034 1
1 710 . 9 1 1 A 77 77 GLY C C 77 172.507 174.662 -2.155 1
1 711 . 9 1 1 A 77 77 GLY CA C 77 45.274 46.674 -1.400 1
1 712 . 9 1 1 A 77 77 GLY N N 77 108.897 106.593 2.304 1
1 713 . 9 1 1 A 78 78 ASN H H 78 7.108 7.608 -0.500 1
1 714 . 9 1 1 A 78 78 ASN HA H 78 5.208 4.815 0.393 1
1 719 . 9 1 1 A 78 78 ASN C C 78 174.475 175.320 -0.845 1
1 720 . 9 1 1 A 78 78 ASN CA C 78 49.514 51.071 -1.557 1
1 721 . 9 1 1 A 78 78 ASN CB C 78 39.531 39.555 -0.024 1
1 722 . 9 1 1 A 78 78 ASN N N 78 119.451 119.567 -0.116 1
1 724 . 9 1 1 A 79 79 PRO HA H 79 3.589 3.495 0.094 1
1 731 . 9 1 1 A 79 79 PRO C C 79 177.877 176.940 0.937 1
1 732 . 9 1 1 A 79 79 PRO CA C 79 64.697 63.630 1.067 1
1 733 . 9 1 1 A 79 79 PRO CB C 79 30.935 31.218 -0.283 1
1 736 . 9 1 1 A 80 80 ALA H H 80 7.842 8.008 -0.166 1
1 737 . 9 1 1 A 80 80 ALA HA H 80 4.197 4.095 0.102 1
1 741 . 9 1 1 A 80 80 ALA C C 80 178.566 177.518 1.048 1
1 742 . 9 1 1 A 80 80 ALA CA C 80 53.801 53.944 -0.143 1
1 743 . 9 1 1 A 80 80 ALA CB C 80 18.366 18.296 0.070 1
1 744 . 9 1 1 A 80 80 ALA N N 80 119.231 119.911 -0.680 1
1 745 . 9 1 1 A 81 81 ASN H H 81 7.714 7.992 -0.278 1
1 746 . 9 1 1 A 81 81 ASN HA H 81 4.662 5.007 -0.345 1
1 751 . 9 1 1 A 81 81 ASN C C 81 172.714 175.591 -2.877 1
1 752 . 9 1 1 A 81 81 ASN CA C 81 52.960 51.899 1.061 1
1 753 . 9 1 1 A 81 81 ASN CB C 81 37.946 39.126 -1.180 1
1 754 . 9 1 1 A 81 81 ASN N N 81 113.680 116.440 -2.760 1
1 756 . 9 1 1 A 82 82 TYR H H 82 7.299 7.731 -0.432 1
1 757 . 9 1 1 A 82 82 TYR HA H 82 4.283 4.635 -0.352 1
1 763 . 9 1 1 A 82 82 TYR C C 82 174.383 176.445 -2.062 1
1 764 . 9 1 1 A 82 82 TYR CA C 82 57.061 60.785 -3.724 1
1 765 . 9 1 1 A 82 82 TYR CB C 82 39.447 37.660 1.787 1
1 770 . 9 1 1 A 82 82 TYR N N 82 118.625 119.863 -1.238 1
1 771 . 9 1 1 A 83 83 PRO HA H 83 4.381 4.900 -0.519 1
1 778 . 9 1 1 A 83 83 PRO CA C 83 62.946 62.880 0.066 1
1 779 . 9 1 1 A 83 83 PRO CB C 83 32.088 31.686 0.402 1
1 782 . 9 1 1 A 84 84 VAL HA H 84 4.956 5.270 -0.314 1
1 790 . 9 1 1 A 84 84 VAL CA C 84 59.200 59.553 -0.353 1
1 791 . 9 1 1 A 84 84 VAL CB C 84 35.235 36.681 -1.446 1
1 794 . 9 1 1 A 85 85 SER H H 85 8.491 8.799 -0.308 1
1 795 . 9 1 1 A 85 85 SER HA H 85 5.655 5.470 0.185 1
1 798 . 9 1 1 A 85 85 SER C C 85 174.729 173.378 1.351 1
1 799 . 9 1 1 A 85 85 SER CA C 85 56.679 57.207 -0.528 1
1 800 . 9 1 1 A 85 85 SER CB C 85 64.021 65.379 -1.358 1
1 801 . 9 1 1 A 85 85 SER N N 85 121.531 117.062 4.469 1
1 802 . 9 1 1 A 86 86 ILE H H 86 9.318 9.136 0.182 1
1 803 . 9 1 1 A 86 86 ILE HA H 86 4.803 5.116 -0.313 1
1 813 . 9 1 1 A 86 86 ILE C C 86 173.918 174.189 -0.271 1
1 814 . 9 1 1 A 86 86 ILE CA C 86 60.802 59.927 0.875 1
1 815 . 9 1 1 A 86 86 ILE CB C 86 41.352 42.143 -0.791 1
1 819 . 9 1 1 A 86 86 ILE N N 86 126.689 124.943 1.746 1
1 820 . 9 1 1 A 88 88 PHE HA H 88 5.866 5.708 0.158 1
1 826 . 9 1 1 A 88 88 PHE C C 88 175.891 173.699 2.192 1
1 827 . 9 1 1 A 88 88 PHE CA C 88 56.349 55.658 0.691 1
1 828 . 9 1 1 A 88 88 PHE CB C 88 44.020 42.958 1.062 1
1 832 . 9 1 1 A 89 89 GLY H H 89 8.913 8.738 0.175 1
1 833 . 9 1 1 A 89 89 GLY HA2 H 89 4.090 4.325 -0.235 1
1 834 . 9 1 1 A 89 89 GLY HA3 H 89 4.090 4.403 -0.313 1
1 835 . 9 1 1 A 89 89 GLY C C 89 171.617 172.116 -0.499 1
1 836 . 9 1 1 A 89 89 GLY CA C 89 45.684 45.833 -0.149 1
1 837 . 9 1 1 A 89 89 GLY N N 89 105.946 105.887 0.059 1
1 838 . 9 1 1 A 90 90 ARG H H 90 8.880 8.651 0.229 1
1 839 . 9 1 1 A 90 90 ARG HA H 90 4.628 4.587 0.041 1
1 846 . 9 1 1 A 90 90 ARG CA C 90 54.341 54.520 -0.179 1
1 847 . 9 1 1 A 90 90 ARG CB C 90 30.326 30.018 0.308 1
1 850 . 9 1 1 A 90 90 ARG N N 90 123.099 120.830 2.269 1
1 851 . 9 1 1 A 91 91 PRO HA H 91 4.390 4.574 -0.184 1
1 858 . 9 1 1 A 91 91 PRO CA C 91 62.994 62.380 0.614 1
1 859 . 9 1 1 A 91 91 PRO CB C 91 32.136 32.420 -0.284 1
1 862 . 9 1 1 A 92 92 ARG H H 92 8.506 8.310 0.196 1
1 863 . 9 1 1 A 92 92 ARG HA H 92 4.321 4.395 -0.074 1
1 867 . 9 1 1 A 92 92 ARG C C 92 176.279 176.625 -0.346 1
1 868 . 9 1 1 A 92 92 ARG CA C 92 56.320 56.035 0.285 1
1 869 . 9 1 1 A 92 92 ARG CB C 92 30.937 30.835 0.102 1
1 871 . 9 1 1 A 92 92 ARG N N 92 121.873 120.257 1.616 1
1 872 . 9 1 1 A 93 93 LEU H H 93 8.537 8.647 -0.110 1
1 873 . 9 1 1 A 93 93 LEU HA H 93 4.479 3.995 0.484 1
1 876 . 9 1 1 A 93 93 LEU C C 93 177.444 178.397 -0.953 1
1 877 . 9 1 1 A 93 93 LEU CA C 93 55.187 58.386 -3.199 1
1 878 . 9 1 1 A 93 93 LEU CB C 93 42.551 41.309 1.242 1
1 879 . 9 1 1 A 93 93 LEU N N 93 124.440 121.510 2.930 1
1 880 . 9 1 1 A 94 94 THR H H 94 8.183 8.062 0.121 1
1 881 . 9 1 1 A 94 94 THR HA H 94 4.444 3.998 0.446 1
1 886 . 9 1 1 A 94 94 THR C C 94 174.383 177.089 -2.706 1
1 887 . 9 1 1 A 94 94 THR CA C 94 61.515 65.736 -4.221 1
1 888 . 9 1 1 A 94 94 THR CB C 94 70.080 68.429 1.651 1
1 890 . 9 1 1 A 94 94 THR N N 94 114.261 115.249 -0.988 1
1 891 . 9 1 1 A 95 95 SER H H 95 8.394 8.237 0.157 1
1 892 . 9 1 1 A 95 95 SER HA H 95 4.502 4.276 0.226 1
1 895 . 9 1 1 A 95 95 SER C C 95 173.465 176.457 -2.992 1
1 896 . 9 1 1 A 95 95 SER CA C 95 58.383 61.604 -3.221 1
1 897 . 9 1 1 A 95 95 SER CB C 95 64.103 63.152 0.951 1
1 898 . 9 1 1 A 95 95 SER N N 95 117.878 118.472 -0.594 1
1 1 . 10 1 1 A 2 2 GLY H H 2 8.575 8.135 0.440 1
1 2 . 10 1 1 A 2 2 GLY HA3 H 2 3.941 4.302 -0.361 1
1 3 . 10 1 1 A 2 2 GLY CA C 2 45.109 45.911 -0.802 1
1 4 . 10 1 1 A 2 2 GLY N N 2 110.363 110.474 -0.111 1
1 5 . 10 1 1 A 3 3 HIS H H 3 8.398 8.779 -0.381 1
1 7 . 10 1 1 A 3 3 HIS CA C 3 55.958 56.383 -0.425 1
1 8 . 10 1 1 A 3 3 HIS CB C 3 29.588 28.584 1.004 1
1 9 . 10 1 1 A 3 3 HIS N N 3 118.248 120.973 -2.725 1
1 10 . 10 1 1 A 6 6 HIS HA H 6 4.637 4.308 0.329 1
1 12 . 10 1 1 A 6 6 HIS CA C 6 55.805 59.188 -3.383 1
1 13 . 10 1 1 A 6 6 HIS CB C 6 29.866 29.355 0.511 1
1 14 . 10 1 1 A 7 7 HIS H H 7 8.775 7.871 0.904 1
1 15 . 10 1 1 A 7 7 HIS HA H 7 4.639 4.620 0.019 1
1 18 . 10 1 1 A 7 7 HIS CA C 7 55.959 54.846 1.113 1
1 19 . 10 1 1 A 7 7 HIS CB C 7 29.834 27.770 2.064 1
1 20 . 10 1 1 A 7 7 HIS N N 7 120.965 115.932 5.033 1
1 21 . 10 1 1 A 8 8 HIS H H 8 8.591 8.391 0.200 1
1 22 . 10 1 1 A 8 8 HIS HA H 8 4.447 4.800 -0.353 1
1 25 . 10 1 1 A 8 8 HIS CA C 8 56.009 56.972 -0.963 1
1 26 . 10 1 1 A 8 8 HIS CB C 8 32.890 32.298 0.592 1
1 27 . 10 1 1 A 8 8 HIS N N 8 122.251 117.852 4.399 1
1 28 . 10 1 1 A 9 9 LEU H H 9 8.430 7.506 0.924 1
1 29 . 10 1 1 A 9 9 LEU HA H 9 4.359 4.583 -0.224 1
1 39 . 10 1 1 A 9 9 LEU C C 9 177.241 175.166 2.075 1
1 40 . 10 1 1 A 9 9 LEU CA C 9 55.395 54.327 1.068 1
1 41 . 10 1 1 A 9 9 LEU CB C 9 42.317 45.705 -3.388 1
1 45 . 10 1 1 A 9 9 LEU N N 9 123.074 119.039 4.035 1
1 46 . 10 1 1 A 10 10 ASP H H 10 8.358 8.651 -0.293 1
1 47 . 10 1 1 A 10 10 ASP HA H 10 4.606 4.018 0.588 1
1 50 . 10 1 1 A 10 10 ASP C C 10 176.490 174.418 2.072 1
1 51 . 10 1 1 A 10 10 ASP CA C 10 54.541 55.021 -0.480 1
1 52 . 10 1 1 A 10 10 ASP CB C 10 41.244 43.867 -2.623 1
1 53 . 10 1 1 A 10 10 ASP N N 10 121.299 125.808 -4.509 1
1 54 . 10 1 1 A 11 11 SER H H 11 8.212 7.854 0.358 1
1 55 . 10 1 1 A 11 11 SER HA H 11 4.367 4.789 -0.422 1
1 58 . 10 1 1 A 11 11 SER C C 11 174.210 173.308 0.902 1
1 59 . 10 1 1 A 11 11 SER CA C 11 58.750 57.533 1.217 1
1 60 . 10 1 1 A 11 11 SER CB C 11 63.743 67.166 -3.423 1
1 61 . 10 1 1 A 11 11 SER N N 11 115.863 112.184 3.679 1
1 62 . 10 1 1 A 12 12 TYR H H 12 8.207 8.646 -0.439 1
1 63 . 10 1 1 A 12 12 TYR HA H 12 4.562 4.136 0.426 1
1 70 . 10 1 1 A 12 12 TYR C C 12 175.105 174.752 0.353 1
1 71 . 10 1 1 A 12 12 TYR CA C 12 57.994 59.099 -1.105 1
1 72 . 10 1 1 A 12 12 TYR CB C 12 38.821 37.210 1.611 1
1 77 . 10 1 1 A 12 12 TYR N N 12 121.901 121.267 0.634 1
1 78 . 10 1 1 A 13 13 ALA H H 13 8.033 7.880 0.153 1
1 79 . 10 1 1 A 13 13 ALA HA H 13 4.552 4.835 -0.283 1
1 83 . 10 1 1 A 13 13 ALA C C 13 174.997 174.318 0.679 1
1 84 . 10 1 1 A 13 13 ALA CA C 13 50.585 49.743 0.842 1
1 85 . 10 1 1 A 13 13 ALA CB C 13 18.488 21.939 -3.451 1
1 86 . 10 1 1 A 13 13 ALA N N 13 126.839 127.082 -0.243 1
1 87 . 10 1 1 A 14 14 PRO HA H 14 4.390 4.525 -0.135 1
1 94 . 10 1 1 A 14 14 PRO C C 14 176.894 176.245 0.649 1
1 95 . 10 1 1 A 14 14 PRO CA C 14 63.199 62.989 0.210 1
1 96 . 10 1 1 A 14 14 PRO CB C 14 32.210 32.569 -0.359 1
1 99 . 10 1 1 A 15 15 ARG H H 15 8.492 8.165 0.327 1
1 100 . 10 1 1 A 15 15 ARG HA H 15 4.357 4.643 -0.286 1
1 104 . 10 1 1 A 15 15 ARG C C 15 176.040 176.905 -0.865 1
1 105 . 10 1 1 A 15 15 ARG CA C 15 56.029 55.130 0.899 1
1 106 . 10 1 1 A 15 15 ARG CB C 15 31.097 30.154 0.943 1
1 108 . 10 1 1 A 15 15 ARG N N 15 121.148 117.010 4.138 1
1 109 . 10 1 1 A 16 16 ALA H H 16 8.511 8.156 0.355 1
1 110 . 10 1 1 A 16 16 ALA HA H 16 4.352 4.169 0.183 1
1 114 . 10 1 1 A 16 16 ALA C C 16 177.569 177.066 0.503 1
1 115 . 10 1 1 A 16 16 ALA CA C 16 52.771 53.865 -1.094 1
1 116 . 10 1 1 A 16 16 ALA CB C 16 19.291 18.817 0.474 1
1 117 . 10 1 1 A 16 16 ALA N N 16 125.410 123.450 1.960 1
1 118 . 10 1 1 A 17 17 GLU H H 17 8.513 7.840 0.673 1
1 119 . 10 1 1 A 17 17 GLU HA H 17 4.681 4.916 -0.235 1
1 124 . 10 1 1 A 17 17 GLU C C 17 176.040 174.269 1.771 1
1 125 . 10 1 1 A 17 17 GLU CA C 17 56.240 54.877 1.363 1
1 126 . 10 1 1 A 17 17 GLU CB C 17 31.430 32.708 -1.278 1
1 128 . 10 1 1 A 17 17 GLU N N 17 120.135 116.200 3.935 1
1 129 . 10 1 1 A 20 20 LYS HA H 20 4.642 4.667 -0.025 1
1 132 . 10 1 1 A 20 20 LYS C C 20 174.395 175.569 -1.174 1
1 133 . 10 1 1 A 20 20 LYS CA C 20 55.041 54.451 0.590 1
1 134 . 10 1 1 A 20 20 LYS CB C 20 36.603 36.174 0.429 1
1 135 . 10 1 1 A 21 21 THR H H 21 8.278 8.256 0.022 1
1 136 . 10 1 1 A 21 21 THR HA H 21 5.185 4.838 0.347 1
1 141 . 10 1 1 A 21 21 THR C C 21 174.123 173.688 0.435 1
1 142 . 10 1 1 A 21 21 THR CA C 21 62.206 61.148 1.058 1
1 143 . 10 1 1 A 21 21 THR CB C 21 69.740 70.187 -0.447 1
1 145 . 10 1 1 A 21 21 THR N N 21 118.285 112.538 5.747 1
1 146 . 10 1 1 A 22 22 PHE H H 22 9.552 9.046 0.506 1
1 147 . 10 1 1 A 22 22 PHE HA H 22 4.934 5.141 -0.207 1
1 155 . 10 1 1 A 22 22 PHE CA C 22 57.809 55.836 1.973 1
1 156 . 10 1 1 A 22 22 PHE CB C 22 43.018 44.191 -1.173 1
1 162 . 10 1 1 A 22 22 PHE N N 22 125.884 120.595 5.289 1
1 163 . 10 1 1 A 23 23 SER H H 23 8.489 8.578 -0.089 1
1 164 . 10 1 1 A 23 23 SER HA H 23 4.874 5.070 -0.196 1
1 167 . 10 1 1 A 23 23 SER CA C 23 57.308 57.250 0.058 1
1 168 . 10 1 1 A 23 23 SER CB C 23 65.134 67.504 -2.370 1
1 169 . 10 1 1 A 23 23 SER N N 23 116.064 115.144 0.920 1
1 170 . 10 1 1 A 24 24 TYR H H 24 8.561 8.072 0.489 1
1 171 . 10 1 1 A 24 24 TYR HA H 24 3.787 4.667 -0.880 1
1 178 . 10 1 1 A 24 24 TYR CA C 24 55.942 55.583 0.359 1
1 179 . 10 1 1 A 24 24 TYR CB C 24 39.190 41.175 -1.985 1
1 184 . 10 1 1 A 24 24 TYR N N 24 120.614 118.483 2.131 1
1 185 . 10 1 1 A 25 25 PRO HA H 25 3.195 4.337 -1.142 1
1 192 . 10 1 1 A 25 25 PRO CA C 25 61.641 65.429 -3.788 1
1 193 . 10 1 1 A 25 25 PRO CB C 25 33.950 31.865 2.085 1
1 196 . 10 1 1 A 29 29 LEU HA H 29 4.651 4.941 -0.290 1
1 199 . 10 1 1 A 29 29 LEU C C 29 175.676 173.806 1.870 1
1 200 . 10 1 1 A 29 29 LEU CA C 29 54.443 54.072 0.371 1
1 201 . 10 1 1 A 29 29 LEU CB C 29 43.096 46.261 -3.165 1
1 204 . 10 1 1 A 30 30 LEU H H 30 8.665 8.807 -0.142 1
1 205 . 10 1 1 A 30 30 LEU HA H 30 5.369 5.404 -0.035 1
1 212 . 10 1 1 A 30 30 LEU C C 30 176.370 175.077 1.293 1
1 213 . 10 1 1 A 30 30 LEU CA C 30 53.005 53.827 -0.822 1
1 214 . 10 1 1 A 30 30 LEU CB C 30 43.867 46.177 -2.310 1
1 217 . 10 1 1 A 30 30 LEU N N 30 126.293 126.540 -0.247 1
1 218 . 10 1 1 A 31 31 LYS H H 31 9.288 8.976 0.312 1
1 219 . 10 1 1 A 31 31 LYS HA H 31 4.664 5.016 -0.352 1
1 228 . 10 1 1 A 31 31 LYS C C 31 173.995 174.711 -0.716 1
1 229 . 10 1 1 A 31 31 LYS CA C 31 54.758 54.403 0.355 1
1 230 . 10 1 1 A 31 31 LYS CB C 31 37.173 36.210 0.963 1
1 234 . 10 1 1 A 31 31 LYS N N 31 119.484 119.441 0.043 1
1 235 . 10 1 1 A 32 32 LEU H H 32 8.724 8.538 0.186 1
1 236 . 10 1 1 A 32 32 LEU HA H 32 4.972 4.719 0.253 1
1 246 . 10 1 1 A 32 32 LEU C C 32 177.274 175.627 1.647 1
1 247 . 10 1 1 A 32 32 LEU CA C 32 54.494 55.517 -1.023 1
1 248 . 10 1 1 A 32 32 LEU CB C 32 43.119 42.426 0.693 1
1 252 . 10 1 1 A 32 32 LEU N N 32 124.082 124.823 -0.741 1
1 253 . 10 1 1 A 33 33 HIS H H 33 9.361 9.086 0.275 1
1 254 . 10 1 1 A 33 33 HIS HA H 33 4.698 4.823 -0.125 1
1 257 . 10 1 1 A 33 33 HIS C C 33 174.092 173.901 0.191 1
1 258 . 10 1 1 A 33 33 HIS CA C 33 56.497 55.779 0.718 1
1 259 . 10 1 1 A 33 33 HIS CB C 33 32.274 33.671 -1.397 1
1 260 . 10 1 1 A 33 33 HIS N N 33 125.743 125.062 0.681 1
1 261 . 10 1 1 A 34 34 ASP H H 34 9.134 8.993 0.141 1
1 262 . 10 1 1 A 34 34 ASP HA H 34 4.146 3.975 0.171 1
1 265 . 10 1 1 A 34 34 ASP C C 34 174.644 175.010 -0.366 1
1 266 . 10 1 1 A 34 34 ASP CA C 34 55.976 54.912 1.064 1
1 267 . 10 1 1 A 34 34 ASP CB C 34 39.179 39.375 -0.196 1
1 268 . 10 1 1 A 34 34 ASP N N 34 128.890 126.423 2.467 1
1 269 . 10 1 1 A 35 35 GLU H H 35 8.648 8.439 0.209 1
1 270 . 10 1 1 A 35 35 GLU HA H 35 3.681 3.758 -0.077 1
1 275 . 10 1 1 A 35 35 GLU C C 35 174.234 175.135 -0.901 1
1 276 . 10 1 1 A 35 35 GLU CA C 35 57.346 58.044 -0.698 1
1 277 . 10 1 1 A 35 35 GLU CB C 35 27.735 27.965 -0.230 1
1 279 . 10 1 1 A 35 35 GLU N N 35 109.734 110.465 -0.731 1
1 280 . 10 1 1 A 36 36 ARG H H 36 7.710 7.585 0.125 1
1 281 . 10 1 1 A 36 36 ARG HA H 36 4.515 4.903 -0.388 1
1 285 . 10 1 1 A 36 36 ARG C C 36 174.063 174.795 -0.732 1
1 286 . 10 1 1 A 36 36 ARG CA C 36 54.212 54.015 0.197 1
1 287 . 10 1 1 A 36 36 ARG CB C 36 33.371 33.786 -0.415 1
1 289 . 10 1 1 A 36 36 ARG N N 36 116.091 118.741 -2.650 1
1 290 . 10 1 1 A 37 37 VAL H H 37 8.803 8.601 0.202 1
1 291 . 10 1 1 A 37 37 VAL HA H 37 4.375 5.126 -0.751 1
1 299 . 10 1 1 A 37 37 VAL C C 37 174.388 174.484 -0.096 1
1 300 . 10 1 1 A 37 37 VAL CA C 37 62.620 59.516 3.104 1
1 301 . 10 1 1 A 37 37 VAL CB C 37 31.484 34.880 -3.396 1
1 304 . 10 1 1 A 37 37 VAL N N 37 122.430 117.647 4.783 1
1 305 . 10 1 1 A 38 38 LEU H H 38 8.966 9.349 -0.383 1
1 306 . 10 1 1 A 38 38 LEU HA H 38 5.495 5.502 -0.007 1
1 316 . 10 1 1 A 38 38 LEU C C 38 177.365 176.361 1.004 1
1 317 . 10 1 1 A 38 38 LEU CA C 38 52.624 53.421 -0.797 1
1 318 . 10 1 1 A 38 38 LEU CB C 38 46.189 45.140 1.049 1
1 322 . 10 1 1 A 38 38 LEU N N 38 125.739 125.591 0.148 1
1 323 . 10 1 1 A 39 39 VAL H H 39 8.899 9.101 -0.202 1
1 324 . 10 1 1 A 39 39 VAL HA H 39 4.006 3.958 0.048 1
1 332 . 10 1 1 A 39 39 VAL C C 39 176.380 176.438 -0.058 1
1 333 . 10 1 1 A 39 39 VAL CA C 39 63.763 63.561 0.202 1
1 334 . 10 1 1 A 39 39 VAL CB C 39 31.629 31.508 0.121 1
1 337 . 10 1 1 A 39 39 VAL N N 39 119.125 123.102 -3.977 1
1 338 . 10 1 1 A 40 40 ALA H H 40 9.755 9.107 0.648 1
1 339 . 10 1 1 A 40 40 ALA HA H 40 4.533 4.508 0.025 1
1 343 . 10 1 1 A 40 40 ALA C C 40 176.636 177.107 -0.471 1
1 344 . 10 1 1 A 40 40 ALA CA C 40 52.536 53.071 -0.535 1
1 345 . 10 1 1 A 40 40 ALA CB C 40 20.860 20.998 -0.138 1
1 346 . 10 1 1 A 40 40 ALA N N 40 133.618 129.677 3.941 1
1 347 . 10 1 1 A 41 41 PHE H H 41 7.761 7.593 0.168 1
1 348 . 10 1 1 A 41 41 PHE HA H 41 4.299 4.641 -0.342 1
1 353 . 10 1 1 A 41 41 PHE C C 41 172.990 174.939 -1.949 1
1 354 . 10 1 1 A 41 41 PHE CA C 41 59.306 57.430 1.876 1
1 355 . 10 1 1 A 41 41 PHE CB C 41 42.621 42.584 0.037 1
1 358 . 10 1 1 A 41 41 PHE N N 41 117.497 116.627 0.870 1
1 359 . 10 1 1 A 42 42 GLY H H 42 7.709 7.738 -0.029 1
1 360 . 10 1 1 A 42 42 GLY HA2 H 42 4.190 3.514 0.676 1
1 361 . 10 1 1 A 42 42 GLY HA3 H 42 3.327 3.722 -0.395 1
1 362 . 10 1 1 A 42 42 GLY C C 42 171.542 174.117 -2.575 1
1 363 . 10 1 1 A 42 42 GLY CA C 42 44.310 45.478 -1.168 1
1 364 . 10 1 1 A 42 42 GLY N N 42 114.790 113.580 1.210 1
1 365 . 10 1 1 A 43 43 GLN HA H 43 4.366 4.050 0.316 1
1 372 . 10 1 1 A 43 43 GLN CA C 43 55.207 55.948 -0.741 1
1 373 . 10 1 1 A 43 43 GLN CB C 43 30.347 28.829 1.518 1
1 376 . 10 1 1 A 49 49 VAL HA H 49 3.386 3.784 -0.398 1
1 384 . 10 1 1 A 49 49 VAL C C 49 177.680 176.171 1.509 1
1 385 . 10 1 1 A 49 49 VAL CA C 49 64.730 62.637 2.093 1
1 386 . 10 1 1 A 49 49 VAL CB C 49 31.489 32.209 -0.720 1
1 389 . 10 1 1 A 50 50 GLY H H 50 9.040 9.015 0.025 1
1 390 . 10 1 1 A 50 50 GLY HA2 H 50 4.505 3.889 0.616 1
1 391 . 10 1 1 A 50 50 GLY HA3 H 50 3.562 3.922 -0.360 1
1 392 . 10 1 1 A 50 50 GLY C C 50 175.034 174.553 0.481 1
1 393 . 10 1 1 A 50 50 GLY CA C 50 44.901 44.885 0.016 1
1 394 . 10 1 1 A 50 50 GLY N N 50 115.994 113.271 2.723 1
1 395 . 10 1 1 A 51 51 HIS H H 51 8.228 7.776 0.452 1
1 396 . 10 1 1 A 51 51 HIS HA H 51 4.614 4.507 0.107 1
1 400 . 10 1 1 A 51 51 HIS C C 51 174.681 175.064 -0.383 1
1 401 . 10 1 1 A 51 51 HIS CA C 51 57.434 56.789 0.645 1
1 402 . 10 1 1 A 51 51 HIS CB C 51 32.934 30.480 2.454 1
1 404 . 10 1 1 A 51 51 HIS N N 51 120.280 118.606 1.674 1
1 405 . 10 1 1 A 52 52 ALA H H 52 9.229 8.731 0.498 1
1 406 . 10 1 1 A 52 52 ALA HA H 52 5.587 4.775 0.812 1
1 410 . 10 1 1 A 52 52 ALA C C 52 177.988 177.873 0.115 1
1 411 . 10 1 1 A 52 52 ALA CA C 52 50.053 51.289 -1.236 1
1 412 . 10 1 1 A 52 52 ALA CB C 52 22.023 19.836 2.187 1
1 413 . 10 1 1 A 52 52 ALA N N 52 121.598 124.799 -3.201 1
1 414 . 10 1 1 A 53 53 VAL HA H 53 3.473 4.267 -0.794 1
1 422 . 10 1 1 A 53 53 VAL C C 53 175.227 175.942 -0.715 1
1 423 . 10 1 1 A 53 53 VAL CA C 53 63.914 63.357 0.557 1
1 424 . 10 1 1 A 53 53 VAL CB C 53 32.339 32.443 -0.104 1
1 427 . 10 1 1 A 54 54 LEU H H 54 9.067 9.500 -0.433 1
1 428 . 10 1 1 A 54 54 LEU HA H 54 4.599 4.619 -0.020 1
1 434 . 10 1 1 A 54 54 LEU C C 54 178.208 176.791 1.417 1
1 435 . 10 1 1 A 54 54 LEU CA C 54 55.084 55.803 -0.719 1
1 436 . 10 1 1 A 54 54 LEU CB C 54 43.490 43.938 -0.448 1
1 439 . 10 1 1 A 54 54 LEU N N 54 126.184 126.030 0.154 1
1 440 . 10 1 1 A 55 55 ALA H H 55 7.665 7.691 -0.026 1
1 441 . 10 1 1 A 55 55 ALA HA H 55 4.889 4.915 -0.026 1
1 445 . 10 1 1 A 55 55 ALA C C 55 175.085 175.283 -0.198 1
1 446 . 10 1 1 A 55 55 ALA CA C 55 52.600 51.539 1.061 1
1 447 . 10 1 1 A 55 55 ALA CB C 55 21.847 22.984 -1.137 1
1 448 . 10 1 1 A 55 55 ALA N N 55 119.807 117.318 2.489 1
1 449 . 10 1 1 A 56 56 ILE H H 56 8.209 8.809 -0.600 1
1 450 . 10 1 1 A 56 56 ILE HA H 56 4.643 4.755 -0.112 1
1 460 . 10 1 1 A 56 56 ILE C C 56 176.001 175.955 0.046 1
1 461 . 10 1 1 A 56 56 ILE CA C 56 59.817 60.027 -0.210 1
1 462 . 10 1 1 A 56 56 ILE CB C 56 41.035 40.767 0.268 1
1 466 . 10 1 1 A 56 56 ILE N N 56 119.114 118.741 0.373 1
1 467 . 10 1 1 A 57 57 ASN H H 57 10.090 9.805 0.285 1
1 468 . 10 1 1 A 57 57 ASN HA H 57 4.523 4.499 0.024 1
1 473 . 10 1 1 A 57 57 ASN C C 57 175.371 175.425 -0.054 1
1 474 . 10 1 1 A 57 57 ASN CA C 57 54.161 54.554 -0.393 1
1 475 . 10 1 1 A 57 57 ASN CB C 57 36.953 37.002 -0.049 1
1 476 . 10 1 1 A 57 57 ASN N N 57 128.487 127.237 1.250 1
1 478 . 10 1 1 A 58 58 GLY H H 58 9.200 8.551 0.649 1
1 479 . 10 1 1 A 58 58 GLY HA2 H 58 4.080 3.813 0.267 1
1 480 . 10 1 1 A 58 58 GLY HA3 H 58 3.513 3.819 -0.306 1
1 481 . 10 1 1 A 58 58 GLY C C 58 174.149 173.811 0.338 1
1 482 . 10 1 1 A 58 58 GLY CA C 58 45.464 45.457 0.007 1
1 483 . 10 1 1 A 58 58 GLY N N 58 103.720 104.525 -0.805 1
1 484 . 10 1 1 A 59 59 MET H H 59 7.852 8.278 -0.426 1
1 485 . 10 1 1 A 59 59 MET HA H 59 4.801 4.643 0.158 1
1 490 . 10 1 1 A 59 59 MET C C 59 175.661 175.085 0.576 1
1 491 . 10 1 1 A 59 59 MET CA C 59 53.528 54.039 -0.511 1
1 492 . 10 1 1 A 59 59 MET CB C 59 33.623 34.527 -0.904 1
1 494 . 10 1 1 A 59 59 MET N N 59 120.479 120.704 -0.225 1
1 495 . 10 1 1 A 60 60 ASP H H 60 8.931 8.891 0.040 1
1 496 . 10 1 1 A 60 60 ASP HA H 60 4.696 4.731 -0.035 1
1 499 . 10 1 1 A 60 60 ASP C C 60 176.608 175.911 0.697 1
1 500 . 10 1 1 A 60 60 ASP CA C 60 55.789 54.949 0.840 1
1 501 . 10 1 1 A 60 60 ASP CB C 60 40.793 41.490 -0.697 1
1 502 . 10 1 1 A 60 60 ASP N N 60 127.746 126.783 0.963 1
1 503 . 10 1 1 A 61 61 VAL H H 61 7.734 8.911 -1.177 1
1 504 . 10 1 1 A 61 61 VAL HA H 61 4.216 4.807 -0.591 1
1 512 . 10 1 1 A 61 61 VAL C C 61 174.993 174.431 0.562 1
1 513 . 10 1 1 A 61 61 VAL CA C 61 60.816 59.983 0.833 1
1 514 . 10 1 1 A 61 61 VAL CB C 61 32.006 33.822 -1.816 1
1 517 . 10 1 1 A 61 61 VAL N N 61 117.791 120.395 -2.604 1
1 518 . 10 1 1 A 62 62 ASN H H 62 9.011 8.869 0.142 1
1 519 . 10 1 1 A 62 62 ASN HA H 62 5.044 4.862 0.182 1
1 524 . 10 1 1 A 62 62 ASN C C 62 175.375 175.429 -0.054 1
1 525 . 10 1 1 A 62 62 ASN CA C 62 51.604 51.890 -0.286 1
1 526 . 10 1 1 A 62 62 ASN CB C 62 39.209 37.121 2.088 1
1 527 . 10 1 1 A 62 62 ASN N N 62 124.361 123.558 0.803 1
1 529 . 10 1 1 A 63 63 GLY H H 63 8.699 8.790 -0.091 1
1 530 . 10 1 1 A 63 63 GLY HA2 H 63 4.267 3.791 0.476 1
1 531 . 10 1 1 A 63 63 GLY HA3 H 63 3.760 3.826 -0.066 1
1 532 . 10 1 1 A 63 63 GLY C C 63 173.666 174.860 -1.194 1
1 533 . 10 1 1 A 63 63 GLY CA C 63 47.919 47.349 0.570 1
1 534 . 10 1 1 A 63 63 GLY N N 63 113.974 114.656 -0.682 1
1 535 . 10 1 1 A 64 64 ARG H H 64 8.595 8.356 0.239 1
1 536 . 10 1 1 A 64 64 ARG HA H 64 4.144 4.225 -0.081 1
1 544 . 10 1 1 A 64 64 ARG C C 64 175.001 174.736 0.265 1
1 545 . 10 1 1 A 64 64 ARG CA C 64 55.449 57.161 -1.712 1
1 546 . 10 1 1 A 64 64 ARG CB C 64 31.649 29.542 2.107 1
1 549 . 10 1 1 A 64 64 ARG N N 64 124.516 125.973 -1.457 1
1 551 . 10 1 1 A 65 65 TYR H H 65 7.959 7.544 0.415 1
1 552 . 10 1 1 A 65 65 TYR HA H 65 5.515 5.418 0.097 1
1 559 . 10 1 1 A 65 65 TYR C C 65 176.353 175.919 0.434 1
1 560 . 10 1 1 A 65 65 TYR CA C 65 57.143 56.546 0.597 1
1 561 . 10 1 1 A 65 65 TYR CB C 65 42.338 41.640 0.698 1
1 566 . 10 1 1 A 65 65 TYR N N 65 119.872 118.310 1.562 1
1 567 . 10 1 1 A 66 66 THR H H 66 9.651 9.070 0.581 1
1 568 . 10 1 1 A 66 66 THR HA H 66 4.418 4.473 -0.055 1
1 573 . 10 1 1 A 66 66 THR C C 66 177.773 175.901 1.872 1
1 574 . 10 1 1 A 66 66 THR CA C 66 61.270 61.144 0.126 1
1 575 . 10 1 1 A 66 66 THR CB C 66 71.305 70.632 0.673 1
1 577 . 10 1 1 A 66 66 THR N N 66 111.062 115.208 -4.146 1
1 578 . 10 1 1 A 67 67 ALA H H 67 9.388 8.968 0.420 1
1 579 . 10 1 1 A 67 67 ALA HA H 67 4.109 3.996 0.113 1
1 583 . 10 1 1 A 67 67 ALA C C 67 177.993 179.386 -1.393 1
1 584 . 10 1 1 A 67 67 ALA CA C 67 55.247 55.356 -0.109 1
1 585 . 10 1 1 A 67 67 ALA CB C 67 18.955 18.251 0.704 1
1 586 . 10 1 1 A 67 67 ALA N N 67 125.051 124.245 0.806 1
1 587 . 10 1 1 A 68 68 ASP H H 68 7.980 7.824 0.156 1
1 588 . 10 1 1 A 68 68 ASP HA H 68 4.674 4.591 0.083 1
1 591 . 10 1 1 A 68 68 ASP C C 68 176.691 176.119 0.572 1
1 592 . 10 1 1 A 68 68 ASP CA C 68 52.824 54.619 -1.795 1
1 593 . 10 1 1 A 68 68 ASP CB C 68 39.776 41.275 -1.499 1
1 594 . 10 1 1 A 68 68 ASP N N 68 111.027 116.218 -5.191 1
1 595 . 10 1 1 A 69 69 GLY H H 69 8.052 7.828 0.224 1
1 596 . 10 1 1 A 69 69 GLY HA2 H 69 4.154 4.003 0.151 1
1 597 . 10 1 1 A 69 69 GLY HA3 H 69 3.569 4.046 -0.477 1
1 598 . 10 1 1 A 69 69 GLY C C 69 174.525 174.516 0.009 1
1 599 . 10 1 1 A 69 69 GLY CA C 69 46.273 44.837 1.436 1
1 600 . 10 1 1 A 69 69 GLY N N 69 107.666 107.481 0.185 1
1 601 . 10 1 1 A 70 70 LYS H H 70 7.816 7.583 0.233 1
1 602 . 10 1 1 A 70 70 LYS HA H 70 4.639 4.295 0.344 1
1 611 . 10 1 1 A 70 70 LYS C C 70 176.713 176.696 0.017 1
1 612 . 10 1 1 A 70 70 LYS CA C 70 54.753 56.676 -1.923 1
1 613 . 10 1 1 A 70 70 LYS CB C 70 32.589 33.514 -0.925 1
1 617 . 10 1 1 A 70 70 LYS N N 70 120.047 120.482 -0.435 1
1 618 . 10 1 1 A 71 71 GLU H H 71 9.375 8.542 0.833 1
1 619 . 10 1 1 A 71 71 GLU HA H 71 4.366 4.785 -0.419 1
1 624 . 10 1 1 A 71 71 GLU C C 71 177.910 177.754 0.156 1
1 625 . 10 1 1 A 71 71 GLU CA C 71 58.297 57.076 1.221 1
1 626 . 10 1 1 A 71 71 GLU CB C 71 29.572 31.539 -1.967 1
1 628 . 10 1 1 A 71 71 GLU N N 71 124.416 125.074 -0.658 1
1 629 . 10 1 1 A 72 72 VAL H H 72 9.028 9.010 0.018 1
1 630 . 10 1 1 A 72 72 VAL HA H 72 3.258 3.789 -0.531 1
1 638 . 10 1 1 A 72 72 VAL C C 72 177.159 177.246 -0.087 1
1 639 . 10 1 1 A 72 72 VAL CA C 72 67.561 65.608 1.953 1
1 640 . 10 1 1 A 72 72 VAL CB C 72 31.962 31.565 0.397 1
1 643 . 10 1 1 A 72 72 VAL N N 72 128.216 124.983 3.233 1
1 644 . 10 1 1 A 73 73 LEU H H 73 9.223 8.255 0.968 1
1 645 . 10 1 1 A 73 73 LEU HA H 73 3.972 3.929 0.043 1
1 655 . 10 1 1 A 73 73 LEU C C 73 180.513 179.623 0.890 1
1 656 . 10 1 1 A 73 73 LEU CA C 73 58.658 58.095 0.563 1
1 657 . 10 1 1 A 73 73 LEU CB C 73 40.458 40.961 -0.503 1
1 661 . 10 1 1 A 73 73 LEU N N 73 117.712 121.913 -4.201 1
1 662 . 10 1 1 A 74 74 GLU H H 74 7.456 8.115 -0.659 1
1 663 . 10 1 1 A 74 74 GLU HA H 74 4.133 3.997 0.136 1
1 668 . 10 1 1 A 74 74 GLU C C 74 179.695 178.714 0.981 1
1 669 . 10 1 1 A 74 74 GLU CA C 74 59.092 59.555 -0.463 1
1 670 . 10 1 1 A 74 74 GLU CB C 74 29.845 29.329 0.516 1
1 672 . 10 1 1 A 74 74 GLU N N 74 119.823 120.309 -0.486 1
1 673 . 10 1 1 A 75 75 TYR H H 75 8.706 8.426 0.280 1
1 674 . 10 1 1 A 75 75 TYR HA H 75 4.047 4.200 -0.153 1
1 681 . 10 1 1 A 75 75 TYR C C 75 179.408 176.893 2.515 1
1 682 . 10 1 1 A 75 75 TYR CA C 75 62.106 61.659 0.447 1
1 683 . 10 1 1 A 75 75 TYR CB C 75 39.275 38.874 0.401 1
1 688 . 10 1 1 A 75 75 TYR N N 75 123.223 121.215 2.008 1
1 689 . 10 1 1 A 76 76 LEU H H 76 8.586 8.808 -0.222 1
1 690 . 10 1 1 A 76 76 LEU HA H 76 4.458 4.009 0.449 1
1 700 . 10 1 1 A 76 76 LEU C C 76 178.328 179.567 -1.239 1
1 701 . 10 1 1 A 76 76 LEU CA C 76 55.395 57.838 -2.443 1
1 702 . 10 1 1 A 76 76 LEU CB C 76 41.315 41.652 -0.337 1
1 706 . 10 1 1 A 76 76 LEU N N 76 113.641 119.407 -5.766 1
1 707 . 10 1 1 A 77 77 GLY H H 77 7.868 8.073 -0.205 1
1 708 . 10 1 1 A 77 77 GLY HA2 H 77 4.541 3.921 0.620 1
1 709 . 10 1 1 A 77 77 GLY HA3 H 77 3.946 3.949 -0.003 1
1 710 . 10 1 1 A 77 77 GLY C C 77 172.507 174.659 -2.152 1
1 711 . 10 1 1 A 77 77 GLY CA C 77 45.274 46.499 -1.225 1
1 712 . 10 1 1 A 77 77 GLY N N 77 108.897 106.618 2.279 1
1 713 . 10 1 1 A 78 78 ASN H H 78 7.108 7.661 -0.553 1
1 714 . 10 1 1 A 78 78 ASN HA H 78 5.208 4.832 0.376 1
1 719 . 10 1 1 A 78 78 ASN C C 78 174.475 175.364 -0.889 1
1 720 . 10 1 1 A 78 78 ASN CA C 78 49.514 51.073 -1.559 1
1 721 . 10 1 1 A 78 78 ASN CB C 78 39.531 39.548 -0.017 1
1 722 . 10 1 1 A 78 78 ASN N N 78 119.451 119.835 -0.384 1
1 724 . 10 1 1 A 79 79 PRO HA H 79 3.589 3.795 -0.206 1
1 731 . 10 1 1 A 79 79 PRO C C 79 177.877 177.248 0.629 1
1 732 . 10 1 1 A 79 79 PRO CA C 79 64.697 63.684 1.013 1
1 733 . 10 1 1 A 79 79 PRO CB C 79 30.935 31.346 -0.411 1
1 736 . 10 1 1 A 80 80 ALA H H 80 7.842 8.134 -0.292 1
1 737 . 10 1 1 A 80 80 ALA HA H 80 4.197 4.113 0.084 1
1 741 . 10 1 1 A 80 80 ALA C C 80 178.566 177.563 1.003 1
1 742 . 10 1 1 A 80 80 ALA CA C 80 53.801 53.955 -0.154 1
1 743 . 10 1 1 A 80 80 ALA CB C 80 18.366 18.307 0.059 1
1 744 . 10 1 1 A 80 80 ALA N N 80 119.231 120.942 -1.711 1
1 745 . 10 1 1 A 81 81 ASN H H 81 7.714 8.045 -0.331 1
1 746 . 10 1 1 A 81 81 ASN HA H 81 4.662 5.042 -0.380 1
1 751 . 10 1 1 A 81 81 ASN C C 81 172.714 175.760 -3.046 1
1 752 . 10 1 1 A 81 81 ASN CA C 81 52.960 51.859 1.101 1
1 753 . 10 1 1 A 81 81 ASN CB C 81 37.946 39.297 -1.351 1
1 754 . 10 1 1 A 81 81 ASN N N 81 113.680 116.555 -2.875 1
1 756 . 10 1 1 A 82 82 TYR H H 82 7.299 7.684 -0.385 1
1 757 . 10 1 1 A 82 82 TYR HA H 82 4.283 4.623 -0.340 1
1 763 . 10 1 1 A 82 82 TYR C C 82 174.383 176.356 -1.973 1
1 764 . 10 1 1 A 82 82 TYR CA C 82 57.061 60.940 -3.879 1
1 765 . 10 1 1 A 82 82 TYR CB C 82 39.447 37.926 1.521 1
1 770 . 10 1 1 A 82 82 TYR N N 82 118.625 121.082 -2.457 1
1 771 . 10 1 1 A 83 83 PRO HA H 83 4.381 4.783 -0.402 1
1 778 . 10 1 1 A 83 83 PRO CA C 83 62.946 62.984 -0.038 1
1 779 . 10 1 1 A 83 83 PRO CB C 83 32.088 31.798 0.290 1
1 782 . 10 1 1 A 84 84 VAL HA H 84 4.956 5.082 -0.126 1
1 790 . 10 1 1 A 84 84 VAL CA C 84 59.200 59.529 -0.329 1
1 791 . 10 1 1 A 84 84 VAL CB C 84 35.235 36.509 -1.274 1
1 794 . 10 1 1 A 85 85 SER H H 85 8.491 8.627 -0.136 1
1 795 . 10 1 1 A 85 85 SER HA H 85 5.655 5.328 0.327 1
1 798 . 10 1 1 A 85 85 SER C C 85 174.729 173.373 1.356 1
1 799 . 10 1 1 A 85 85 SER CA C 85 56.679 57.318 -0.639 1
1 800 . 10 1 1 A 85 85 SER CB C 85 64.021 64.895 -0.874 1
1 801 . 10 1 1 A 85 85 SER N N 85 121.531 117.179 4.352 1
1 802 . 10 1 1 A 86 86 ILE H H 86 9.318 9.080 0.238 1
1 803 . 10 1 1 A 86 86 ILE HA H 86 4.803 5.031 -0.228 1
1 813 . 10 1 1 A 86 86 ILE C C 86 173.918 174.168 -0.250 1
1 814 . 10 1 1 A 86 86 ILE CA C 86 60.802 59.933 0.869 1
1 815 . 10 1 1 A 86 86 ILE CB C 86 41.352 42.141 -0.789 1
1 819 . 10 1 1 A 86 86 ILE N N 86 126.689 125.787 0.902 1
1 820 . 10 1 1 A 88 88 PHE HA H 88 5.866 5.594 0.272 1
1 826 . 10 1 1 A 88 88 PHE C C 88 175.891 173.568 2.323 1
1 827 . 10 1 1 A 88 88 PHE CA C 88 56.349 55.629 0.720 1
1 828 . 10 1 1 A 88 88 PHE CB C 88 44.020 42.996 1.024 1
1 832 . 10 1 1 A 89 89 GLY H H 89 8.913 8.820 0.093 1
1 833 . 10 1 1 A 89 89 GLY HA2 H 89 4.090 4.172 -0.082 1
1 834 . 10 1 1 A 89 89 GLY HA3 H 89 4.090 4.202 -0.112 1
1 835 . 10 1 1 A 89 89 GLY C C 89 171.617 172.137 -0.520 1
1 836 . 10 1 1 A 89 89 GLY CA C 89 45.684 45.902 -0.218 1
1 837 . 10 1 1 A 89 89 GLY N N 89 105.946 105.615 0.331 1
1 838 . 10 1 1 A 90 90 ARG H H 90 8.880 8.602 0.278 1
1 839 . 10 1 1 A 90 90 ARG HA H 90 4.628 4.620 0.008 1
1 846 . 10 1 1 A 90 90 ARG CA C 90 54.341 54.806 -0.465 1
1 847 . 10 1 1 A 90 90 ARG CB C 90 30.326 30.081 0.245 1
1 850 . 10 1 1 A 90 90 ARG N N 90 123.099 121.122 1.977 1
1 851 . 10 1 1 A 91 91 PRO HA H 91 4.390 4.499 -0.109 1
1 858 . 10 1 1 A 91 91 PRO CA C 91 62.994 64.188 -1.194 1
1 859 . 10 1 1 A 91 91 PRO CB C 91 32.136 31.892 0.244 1
1 862 . 10 1 1 A 92 92 ARG H H 92 8.506 7.723 0.783 1
1 863 . 10 1 1 A 92 92 ARG HA H 92 4.321 4.764 -0.443 1
1 867 . 10 1 1 A 92 92 ARG C C 92 176.279 176.161 0.118 1
1 868 . 10 1 1 A 92 92 ARG CA C 92 56.320 54.854 1.466 1
1 869 . 10 1 1 A 92 92 ARG CB C 92 30.937 33.211 -2.274 1
1 871 . 10 1 1 A 92 92 ARG N N 92 121.873 118.034 3.839 1
1 872 . 10 1 1 A 93 93 LEU H H 93 8.537 8.804 -0.267 1
1 873 . 10 1 1 A 93 93 LEU HA H 93 4.479 4.073 0.406 1
1 876 . 10 1 1 A 93 93 LEU C C 93 177.444 177.109 0.335 1
1 877 . 10 1 1 A 93 93 LEU CA C 93 55.187 58.279 -3.092 1
1 878 . 10 1 1 A 93 93 LEU CB C 93 42.551 41.650 0.901 1
1 879 . 10 1 1 A 93 93 LEU N N 93 124.440 125.737 -1.297 1
1 880 . 10 1 1 A 94 94 THR H H 94 8.183 7.738 0.445 1
1 881 . 10 1 1 A 94 94 THR HA H 94 4.444 4.293 0.151 1
1 886 . 10 1 1 A 94 94 THR C C 94 174.383 174.889 -0.506 1
1 887 . 10 1 1 A 94 94 THR CA C 94 61.515 63.626 -2.111 1
1 888 . 10 1 1 A 94 94 THR CB C 94 70.080 69.103 0.977 1
1 890 . 10 1 1 A 94 94 THR N N 94 114.261 113.349 0.912 1
1 891 . 10 1 1 A 95 95 SER H H 95 8.394 8.951 -0.557 1
1 892 . 10 1 1 A 95 95 SER HA H 95 4.502 4.306 0.196 1
1 895 . 10 1 1 A 95 95 SER C C 95 173.465 176.099 -2.634 1
1 896 . 10 1 1 A 95 95 SER CA C 95 58.383 61.326 -2.943 1
1 897 . 10 1 1 A 95 95 SER CB C 95 64.103 63.324 0.779 1
1 898 . 10 1 1 A 95 95 SER N N 95 117.878 119.808 -1.930 1
1 1 . 11 1 1 A 2 2 GLY H H 2 8.575 8.042 0.533 1
1 2 . 11 1 1 A 2 2 GLY HA3 H 2 3.941 4.190 -0.249 1
1 3 . 11 1 1 A 2 2 GLY CA C 2 45.109 45.590 -0.481 1
1 4 . 11 1 1 A 2 2 GLY N N 2 110.363 111.602 -1.239 1
1 5 . 11 1 1 A 3 3 HIS H H 3 8.398 7.594 0.804 1
1 7 . 11 1 1 A 3 3 HIS CA C 3 55.958 58.712 -2.754 1
1 8 . 11 1 1 A 3 3 HIS CB C 3 29.588 29.538 0.050 1
1 9 . 11 1 1 A 3 3 HIS N N 3 118.248 118.626 -0.378 1
1 10 . 11 1 1 A 6 6 HIS HA H 6 4.637 4.409 0.228 1
1 12 . 11 1 1 A 6 6 HIS CA C 6 55.805 56.318 -0.513 1
1 13 . 11 1 1 A 6 6 HIS CB C 6 29.866 29.373 0.493 1
1 14 . 11 1 1 A 7 7 HIS H H 7 8.775 7.725 1.050 1
1 15 . 11 1 1 A 7 7 HIS HA H 7 4.639 4.659 -0.020 1
1 18 . 11 1 1 A 7 7 HIS CA C 7 55.959 55.864 0.095 1
1 19 . 11 1 1 A 7 7 HIS CB C 7 29.834 30.599 -0.765 1
1 20 . 11 1 1 A 7 7 HIS N N 7 120.965 120.284 0.681 1
1 21 . 11 1 1 A 8 8 HIS H H 8 8.591 9.221 -0.630 1
1 22 . 11 1 1 A 8 8 HIS HA H 8 4.447 4.234 0.213 1
1 25 . 11 1 1 A 8 8 HIS CA C 8 56.009 59.920 -3.911 1
1 26 . 11 1 1 A 8 8 HIS CB C 8 32.890 30.136 2.754 1
1 27 . 11 1 1 A 8 8 HIS N N 8 122.251 121.560 0.691 1
1 28 . 11 1 1 A 9 9 LEU H H 9 8.430 7.802 0.628 1
1 29 . 11 1 1 A 9 9 LEU HA H 9 4.359 4.156 0.203 1
1 39 . 11 1 1 A 9 9 LEU C C 9 177.241 177.454 -0.213 1
1 40 . 11 1 1 A 9 9 LEU CA C 9 55.395 55.794 -0.399 1
1 41 . 11 1 1 A 9 9 LEU CB C 9 42.317 42.105 0.212 1
1 45 . 11 1 1 A 9 9 LEU N N 9 123.074 118.980 4.094 1
1 46 . 11 1 1 A 10 10 ASP H H 10 8.358 8.794 -0.436 1
1 47 . 11 1 1 A 10 10 ASP HA H 10 4.606 4.397 0.209 1
1 50 . 11 1 1 A 10 10 ASP C C 10 176.490 175.697 0.793 1
1 51 . 11 1 1 A 10 10 ASP CA C 10 54.541 56.375 -1.834 1
1 52 . 11 1 1 A 10 10 ASP CB C 10 41.244 41.097 0.147 1
1 53 . 11 1 1 A 10 10 ASP N N 10 121.299 124.963 -3.664 1
1 54 . 11 1 1 A 11 11 SER H H 11 8.212 7.713 0.499 1
1 55 . 11 1 1 A 11 11 SER HA H 11 4.367 4.363 0.004 1
1 58 . 11 1 1 A 11 11 SER C C 11 174.210 173.007 1.203 1
1 59 . 11 1 1 A 11 11 SER CA C 11 58.750 57.427 1.323 1
1 60 . 11 1 1 A 11 11 SER CB C 11 63.743 67.087 -3.344 1
1 61 . 11 1 1 A 11 11 SER N N 11 115.863 111.765 4.098 1
1 62 . 11 1 1 A 12 12 TYR H H 12 8.207 8.404 -0.197 1
1 63 . 11 1 1 A 12 12 TYR HA H 12 4.562 4.741 -0.179 1
1 70 . 11 1 1 A 12 12 TYR C C 12 175.105 175.215 -0.110 1
1 71 . 11 1 1 A 12 12 TYR CA C 12 57.994 58.048 -0.054 1
1 72 . 11 1 1 A 12 12 TYR CB C 12 38.821 39.436 -0.615 1
1 77 . 11 1 1 A 12 12 TYR N N 12 121.901 121.288 0.613 1
1 78 . 11 1 1 A 13 13 ALA H H 13 8.033 8.854 -0.821 1
1 79 . 11 1 1 A 13 13 ALA HA H 13 4.552 4.734 -0.182 1
1 83 . 11 1 1 A 13 13 ALA C C 13 174.997 176.564 -1.567 1
1 84 . 11 1 1 A 13 13 ALA CA C 13 50.585 49.636 0.949 1
1 85 . 11 1 1 A 13 13 ALA CB C 13 18.488 21.987 -3.499 1
1 86 . 11 1 1 A 13 13 ALA N N 13 126.839 121.712 5.127 1
1 87 . 11 1 1 A 14 14 PRO HA H 14 4.390 4.390 0.000 1
1 94 . 11 1 1 A 14 14 PRO C C 14 176.894 178.327 -1.433 1
1 95 . 11 1 1 A 14 14 PRO CA C 14 63.199 64.637 -1.438 1
1 96 . 11 1 1 A 14 14 PRO CB C 14 32.210 32.052 0.158 1
1 99 . 11 1 1 A 15 15 ARG H H 15 8.492 8.648 -0.156 1
1 100 . 11 1 1 A 15 15 ARG HA H 15 4.357 4.208 0.149 1
1 104 . 11 1 1 A 15 15 ARG C C 15 176.040 177.360 -1.320 1
1 105 . 11 1 1 A 15 15 ARG CA C 15 56.029 58.526 -2.497 1
1 106 . 11 1 1 A 15 15 ARG CB C 15 31.097 30.026 1.071 1
1 108 . 11 1 1 A 15 15 ARG N N 15 121.148 117.968 3.180 1
1 109 . 11 1 1 A 16 16 ALA H H 16 8.511 8.434 0.077 1
1 110 . 11 1 1 A 16 16 ALA HA H 16 4.352 4.697 -0.345 1
1 114 . 11 1 1 A 16 16 ALA C C 16 177.569 176.920 0.649 1
1 115 . 11 1 1 A 16 16 ALA CA C 16 52.771 53.150 -0.379 1
1 116 . 11 1 1 A 16 16 ALA CB C 16 19.291 22.088 -2.797 1
1 117 . 11 1 1 A 16 16 ALA N N 16 125.410 119.832 5.578 1
1 118 . 11 1 1 A 17 17 GLU H H 17 8.513 8.045 0.468 1
1 119 . 11 1 1 A 17 17 GLU HA H 17 4.681 5.210 -0.529 1
1 124 . 11 1 1 A 17 17 GLU C C 17 176.040 174.812 1.228 1
1 125 . 11 1 1 A 17 17 GLU CA C 17 56.240 55.267 0.973 1
1 126 . 11 1 1 A 17 17 GLU CB C 17 31.430 34.413 -2.983 1
1 128 . 11 1 1 A 17 17 GLU N N 17 120.135 116.194 3.941 1
1 129 . 11 1 1 A 20 20 LYS HA H 20 4.642 4.776 -0.134 1
1 132 . 11 1 1 A 20 20 LYS C C 20 174.395 175.258 -0.863 1
1 133 . 11 1 1 A 20 20 LYS CA C 20 55.041 54.300 0.741 1
1 134 . 11 1 1 A 20 20 LYS CB C 20 36.603 36.918 -0.315 1
1 135 . 11 1 1 A 21 21 THR H H 21 8.278 7.888 0.390 1
1 136 . 11 1 1 A 21 21 THR HA H 21 5.185 5.270 -0.085 1
1 141 . 11 1 1 A 21 21 THR C C 21 174.123 172.636 1.487 1
1 142 . 11 1 1 A 21 21 THR CA C 21 62.206 60.440 1.766 1
1 143 . 11 1 1 A 21 21 THR CB C 21 69.740 71.627 -1.887 1
1 145 . 11 1 1 A 21 21 THR N N 21 118.285 114.430 3.855 1
1 146 . 11 1 1 A 22 22 PHE H H 22 9.552 9.153 0.399 1
1 147 . 11 1 1 A 22 22 PHE HA H 22 4.934 5.144 -0.210 1
1 155 . 11 1 1 A 22 22 PHE CA C 22 57.809 55.868 1.941 1
1 156 . 11 1 1 A 22 22 PHE CB C 22 43.018 44.095 -1.077 1
1 162 . 11 1 1 A 22 22 PHE N N 22 125.884 124.192 1.692 1
1 163 . 11 1 1 A 23 23 SER H H 23 8.489 8.670 -0.181 1
1 164 . 11 1 1 A 23 23 SER HA H 23 4.874 5.307 -0.433 1
1 167 . 11 1 1 A 23 23 SER CA C 23 57.308 57.460 -0.152 1
1 168 . 11 1 1 A 23 23 SER CB C 23 65.134 67.684 -2.550 1
1 169 . 11 1 1 A 23 23 SER N N 23 116.064 115.224 0.840 1
1 170 . 11 1 1 A 24 24 TYR H H 24 8.561 8.884 -0.323 1
1 171 . 11 1 1 A 24 24 TYR HA H 24 3.787 4.974 -1.187 1
1 178 . 11 1 1 A 24 24 TYR CA C 24 55.942 55.977 -0.035 1
1 179 . 11 1 1 A 24 24 TYR CB C 24 39.190 41.959 -2.769 1
1 184 . 11 1 1 A 24 24 TYR N N 24 120.614 119.140 1.474 1
1 185 . 11 1 1 A 25 25 PRO HA H 25 3.195 4.811 -1.616 1
1 192 . 11 1 1 A 25 25 PRO CA C 25 61.641 62.967 -1.326 1
1 193 . 11 1 1 A 25 25 PRO CB C 25 33.950 33.165 0.785 1
1 196 . 11 1 1 A 29 29 LEU HA H 29 4.651 5.028 -0.377 1
1 199 . 11 1 1 A 29 29 LEU C C 29 175.676 173.782 1.894 1
1 200 . 11 1 1 A 29 29 LEU CA C 29 54.443 54.118 0.325 1
1 201 . 11 1 1 A 29 29 LEU CB C 29 43.096 46.309 -3.213 1
1 204 . 11 1 1 A 30 30 LEU H H 30 8.665 8.910 -0.245 1
1 205 . 11 1 1 A 30 30 LEU HA H 30 5.369 5.426 -0.057 1
1 212 . 11 1 1 A 30 30 LEU C C 30 176.370 175.135 1.235 1
1 213 . 11 1 1 A 30 30 LEU CA C 30 53.005 53.830 -0.825 1
1 214 . 11 1 1 A 30 30 LEU CB C 30 43.867 46.402 -2.535 1
1 217 . 11 1 1 A 30 30 LEU N N 30 126.293 126.176 0.117 1
1 218 . 11 1 1 A 31 31 LYS H H 31 9.288 9.102 0.186 1
1 219 . 11 1 1 A 31 31 LYS HA H 31 4.664 4.997 -0.333 1
1 228 . 11 1 1 A 31 31 LYS C C 31 173.995 174.818 -0.823 1
1 229 . 11 1 1 A 31 31 LYS CA C 31 54.758 54.436 0.322 1
1 230 . 11 1 1 A 31 31 LYS CB C 31 37.173 36.314 0.859 1
1 234 . 11 1 1 A 31 31 LYS N N 31 119.484 119.554 -0.070 1
1 235 . 11 1 1 A 32 32 LEU H H 32 8.724 8.567 0.157 1
1 236 . 11 1 1 A 32 32 LEU HA H 32 4.972 4.690 0.282 1
1 246 . 11 1 1 A 32 32 LEU C C 32 177.274 175.682 1.592 1
1 247 . 11 1 1 A 32 32 LEU CA C 32 54.494 55.839 -1.345 1
1 248 . 11 1 1 A 32 32 LEU CB C 32 43.119 42.315 0.804 1
1 252 . 11 1 1 A 32 32 LEU N N 32 124.082 125.035 -0.953 1
1 253 . 11 1 1 A 33 33 HIS H H 33 9.361 9.304 0.057 1
1 254 . 11 1 1 A 33 33 HIS HA H 33 4.698 4.860 -0.162 1
1 257 . 11 1 1 A 33 33 HIS C C 33 174.092 173.869 0.223 1
1 258 . 11 1 1 A 33 33 HIS CA C 33 56.497 55.845 0.652 1
1 259 . 11 1 1 A 33 33 HIS CB C 33 32.274 34.075 -1.801 1
1 260 . 11 1 1 A 33 33 HIS N N 33 125.743 125.260 0.483 1
1 261 . 11 1 1 A 34 34 ASP H H 34 9.134 9.191 -0.057 1
1 262 . 11 1 1 A 34 34 ASP HA H 34 4.146 4.016 0.130 1
1 265 . 11 1 1 A 34 34 ASP C C 34 174.644 175.089 -0.445 1
1 266 . 11 1 1 A 34 34 ASP CA C 34 55.976 54.984 0.992 1
1 267 . 11 1 1 A 34 34 ASP CB C 34 39.179 39.391 -0.212 1
1 268 . 11 1 1 A 34 34 ASP N N 34 128.890 126.956 1.934 1
1 269 . 11 1 1 A 35 35 GLU H H 35 8.648 8.516 0.132 1
1 270 . 11 1 1 A 35 35 GLU HA H 35 3.681 3.855 -0.174 1
1 275 . 11 1 1 A 35 35 GLU C C 35 174.234 175.322 -1.088 1
1 276 . 11 1 1 A 35 35 GLU CA C 35 57.346 57.954 -0.608 1
1 277 . 11 1 1 A 35 35 GLU CB C 35 27.735 28.029 -0.294 1
1 279 . 11 1 1 A 35 35 GLU N N 35 109.734 110.333 -0.599 1
1 280 . 11 1 1 A 36 36 ARG H H 36 7.710 7.718 -0.008 1
1 281 . 11 1 1 A 36 36 ARG HA H 36 4.515 4.979 -0.464 1
1 285 . 11 1 1 A 36 36 ARG C C 36 174.063 175.088 -1.025 1
1 286 . 11 1 1 A 36 36 ARG CA C 36 54.212 54.043 0.169 1
1 287 . 11 1 1 A 36 36 ARG CB C 36 33.371 33.440 -0.069 1
1 289 . 11 1 1 A 36 36 ARG N N 36 116.091 118.905 -2.814 1
1 290 . 11 1 1 A 37 37 VAL H H 37 8.803 8.421 0.382 1
1 291 . 11 1 1 A 37 37 VAL HA H 37 4.375 5.126 -0.751 1
1 299 . 11 1 1 A 37 37 VAL C C 37 174.388 174.884 -0.496 1
1 300 . 11 1 1 A 37 37 VAL CA C 37 62.620 61.042 1.578 1
1 301 . 11 1 1 A 37 37 VAL CB C 37 31.484 34.157 -2.673 1
1 304 . 11 1 1 A 37 37 VAL N N 37 122.430 120.353 2.077 1
1 305 . 11 1 1 A 38 38 LEU H H 38 8.966 9.095 -0.129 1
1 306 . 11 1 1 A 38 38 LEU HA H 38 5.495 5.393 0.102 1
1 316 . 11 1 1 A 38 38 LEU C C 38 177.365 176.373 0.992 1
1 317 . 11 1 1 A 38 38 LEU CA C 38 52.624 53.474 -0.850 1
1 318 . 11 1 1 A 38 38 LEU CB C 38 46.189 45.226 0.963 1
1 322 . 11 1 1 A 38 38 LEU N N 38 125.739 127.026 -1.287 1
1 323 . 11 1 1 A 39 39 VAL H H 39 8.899 9.212 -0.313 1
1 324 . 11 1 1 A 39 39 VAL HA H 39 4.006 4.059 -0.053 1
1 332 . 11 1 1 A 39 39 VAL C C 39 176.380 176.511 -0.131 1
1 333 . 11 1 1 A 39 39 VAL CA C 39 63.763 63.532 0.231 1
1 334 . 11 1 1 A 39 39 VAL CB C 39 31.629 31.485 0.144 1
1 337 . 11 1 1 A 39 39 VAL N N 39 119.125 122.928 -3.803 1
1 338 . 11 1 1 A 40 40 ALA H H 40 9.755 9.147 0.608 1
1 339 . 11 1 1 A 40 40 ALA HA H 40 4.533 4.423 0.110 1
1 343 . 11 1 1 A 40 40 ALA C C 40 176.636 177.275 -0.639 1
1 344 . 11 1 1 A 40 40 ALA CA C 40 52.536 53.832 -1.296 1
1 345 . 11 1 1 A 40 40 ALA CB C 40 20.860 20.597 0.263 1
1 346 . 11 1 1 A 40 40 ALA N N 40 133.618 129.672 3.946 1
1 347 . 11 1 1 A 41 41 PHE H H 41 7.761 7.706 0.055 1
1 348 . 11 1 1 A 41 41 PHE HA H 41 4.299 4.743 -0.444 1
1 353 . 11 1 1 A 41 41 PHE C C 41 172.990 174.793 -1.803 1
1 354 . 11 1 1 A 41 41 PHE CA C 41 59.306 57.340 1.966 1
1 355 . 11 1 1 A 41 41 PHE CB C 41 42.621 42.722 -0.101 1
1 358 . 11 1 1 A 41 41 PHE N N 41 117.497 116.560 0.937 1
1 359 . 11 1 1 A 42 42 GLY H H 42 7.709 7.468 0.241 1
1 360 . 11 1 1 A 42 42 GLY HA2 H 42 4.190 3.833 0.357 1
1 361 . 11 1 1 A 42 42 GLY HA3 H 42 3.327 3.849 -0.522 1
1 362 . 11 1 1 A 42 42 GLY C C 42 171.542 174.411 -2.869 1
1 363 . 11 1 1 A 42 42 GLY CA C 42 44.310 45.058 -0.748 1
1 364 . 11 1 1 A 42 42 GLY N N 42 114.790 112.923 1.867 1
1 365 . 11 1 1 A 43 43 GLN HA H 43 4.366 4.194 0.172 1
1 372 . 11 1 1 A 43 43 GLN CA C 43 55.207 55.961 -0.754 1
1 373 . 11 1 1 A 43 43 GLN CB C 43 30.347 29.287 1.060 1
1 376 . 11 1 1 A 49 49 VAL HA H 49 3.386 3.888 -0.502 1
1 384 . 11 1 1 A 49 49 VAL C C 49 177.680 176.260 1.420 1
1 385 . 11 1 1 A 49 49 VAL CA C 49 64.730 63.080 1.650 1
1 386 . 11 1 1 A 49 49 VAL CB C 49 31.489 31.648 -0.159 1
1 389 . 11 1 1 A 50 50 GLY H H 50 9.040 9.117 -0.077 1
1 390 . 11 1 1 A 50 50 GLY HA2 H 50 4.505 3.918 0.587 1
1 391 . 11 1 1 A 50 50 GLY HA3 H 50 3.562 3.947 -0.385 1
1 392 . 11 1 1 A 50 50 GLY C C 50 175.034 174.406 0.628 1
1 393 . 11 1 1 A 50 50 GLY CA C 50 44.901 45.120 -0.219 1
1 394 . 11 1 1 A 50 50 GLY N N 50 115.994 114.113 1.881 1
1 395 . 11 1 1 A 51 51 HIS H H 51 8.228 7.525 0.703 1
1 396 . 11 1 1 A 51 51 HIS HA H 51 4.614 4.505 0.109 1
1 400 . 11 1 1 A 51 51 HIS C C 51 174.681 175.139 -0.458 1
1 401 . 11 1 1 A 51 51 HIS CA C 51 57.434 56.661 0.773 1
1 402 . 11 1 1 A 51 51 HIS CB C 51 32.934 30.341 2.593 1
1 404 . 11 1 1 A 51 51 HIS N N 51 120.280 118.985 1.295 1
1 405 . 11 1 1 A 52 52 ALA H H 52 9.229 8.807 0.422 1
1 406 . 11 1 1 A 52 52 ALA HA H 52 5.587 4.879 0.708 1
1 410 . 11 1 1 A 52 52 ALA C C 52 177.988 177.036 0.952 1
1 411 . 11 1 1 A 52 52 ALA CA C 52 50.053 51.252 -1.199 1
1 412 . 11 1 1 A 52 52 ALA CB C 52 22.023 20.005 2.018 1
1 413 . 11 1 1 A 52 52 ALA N N 52 121.598 124.553 -2.955 1
1 414 . 11 1 1 A 53 53 VAL HA H 53 3.473 4.040 -0.567 1
1 422 . 11 1 1 A 53 53 VAL C C 53 175.227 175.540 -0.313 1
1 423 . 11 1 1 A 53 53 VAL CA C 53 63.914 62.563 1.351 1
1 424 . 11 1 1 A 53 53 VAL CB C 53 32.339 32.200 0.139 1
1 427 . 11 1 1 A 54 54 LEU H H 54 9.067 9.245 -0.178 1
1 428 . 11 1 1 A 54 54 LEU HA H 54 4.599 4.608 -0.009 1
1 434 . 11 1 1 A 54 54 LEU C C 54 178.208 176.583 1.625 1
1 435 . 11 1 1 A 54 54 LEU CA C 54 55.084 55.774 -0.690 1
1 436 . 11 1 1 A 54 54 LEU CB C 54 43.490 43.697 -0.207 1
1 439 . 11 1 1 A 54 54 LEU N N 54 126.184 129.692 -3.508 1
1 440 . 11 1 1 A 55 55 ALA H H 55 7.665 7.418 0.247 1
1 441 . 11 1 1 A 55 55 ALA HA H 55 4.889 4.843 0.046 1
1 445 . 11 1 1 A 55 55 ALA C C 55 175.085 175.082 0.003 1
1 446 . 11 1 1 A 55 55 ALA CA C 55 52.600 51.453 1.147 1
1 447 . 11 1 1 A 55 55 ALA CB C 55 21.847 22.679 -0.832 1
1 448 . 11 1 1 A 55 55 ALA N N 55 119.807 116.853 2.954 1
1 449 . 11 1 1 A 56 56 ILE H H 56 8.209 8.779 -0.570 1
1 450 . 11 1 1 A 56 56 ILE HA H 56 4.643 4.593 0.050 1
1 460 . 11 1 1 A 56 56 ILE C C 56 176.001 175.847 0.154 1
1 461 . 11 1 1 A 56 56 ILE CA C 56 59.817 59.902 -0.085 1
1 462 . 11 1 1 A 56 56 ILE CB C 56 41.035 40.644 0.391 1
1 466 . 11 1 1 A 56 56 ILE N N 56 119.114 118.797 0.317 1
1 467 . 11 1 1 A 57 57 ASN H H 57 10.090 9.775 0.315 1
1 468 . 11 1 1 A 57 57 ASN HA H 57 4.523 4.455 0.068 1
1 473 . 11 1 1 A 57 57 ASN C C 57 175.371 175.284 0.087 1
1 474 . 11 1 1 A 57 57 ASN CA C 57 54.161 54.506 -0.345 1
1 475 . 11 1 1 A 57 57 ASN CB C 57 36.953 37.212 -0.259 1
1 476 . 11 1 1 A 57 57 ASN N N 57 128.487 127.160 1.327 1
1 478 . 11 1 1 A 58 58 GLY H H 58 9.200 8.328 0.872 1
1 479 . 11 1 1 A 58 58 GLY HA2 H 58 4.080 3.773 0.307 1
1 480 . 11 1 1 A 58 58 GLY HA3 H 58 3.513 3.840 -0.327 1
1 481 . 11 1 1 A 58 58 GLY C C 58 174.149 173.853 0.296 1
1 482 . 11 1 1 A 58 58 GLY CA C 58 45.464 45.270 0.194 1
1 483 . 11 1 1 A 58 58 GLY N N 58 103.720 104.299 -0.579 1
1 484 . 11 1 1 A 59 59 MET H H 59 7.852 8.070 -0.218 1
1 485 . 11 1 1 A 59 59 MET HA H 59 4.801 4.477 0.324 1
1 490 . 11 1 1 A 59 59 MET C C 59 175.661 175.233 0.428 1
1 491 . 11 1 1 A 59 59 MET CA C 59 53.528 54.904 -1.376 1
1 492 . 11 1 1 A 59 59 MET CB C 59 33.623 32.291 1.332 1
1 494 . 11 1 1 A 59 59 MET N N 59 120.479 120.610 -0.131 1
1 495 . 11 1 1 A 60 60 ASP H H 60 8.931 8.214 0.717 1
1 496 . 11 1 1 A 60 60 ASP HA H 60 4.696 4.795 -0.099 1
1 499 . 11 1 1 A 60 60 ASP C C 60 176.608 175.700 0.908 1
1 500 . 11 1 1 A 60 60 ASP CA C 60 55.789 55.100 0.689 1
1 501 . 11 1 1 A 60 60 ASP CB C 60 40.793 41.543 -0.750 1
1 502 . 11 1 1 A 60 60 ASP N N 60 127.746 125.610 2.136 1
1 503 . 11 1 1 A 61 61 VAL H H 61 7.734 8.755 -1.021 1
1 504 . 11 1 1 A 61 61 VAL HA H 61 4.216 4.597 -0.381 1
1 512 . 11 1 1 A 61 61 VAL C C 61 174.993 174.729 0.264 1
1 513 . 11 1 1 A 61 61 VAL CA C 61 60.816 60.994 -0.178 1
1 514 . 11 1 1 A 61 61 VAL CB C 61 32.006 33.071 -1.065 1
1 517 . 11 1 1 A 61 61 VAL N N 61 117.791 121.396 -3.605 1
1 518 . 11 1 1 A 62 62 ASN H H 62 9.011 9.076 -0.065 1
1 519 . 11 1 1 A 62 62 ASN HA H 62 5.044 4.902 0.142 1
1 524 . 11 1 1 A 62 62 ASN C C 62 175.375 175.686 -0.311 1
1 525 . 11 1 1 A 62 62 ASN CA C 62 51.604 52.352 -0.748 1
1 526 . 11 1 1 A 62 62 ASN CB C 62 39.209 37.486 1.723 1
1 527 . 11 1 1 A 62 62 ASN N N 62 124.361 124.341 0.020 1
1 529 . 11 1 1 A 63 63 GLY H H 63 8.699 8.769 -0.070 1
1 530 . 11 1 1 A 63 63 GLY HA2 H 63 4.267 3.875 0.392 1
1 531 . 11 1 1 A 63 63 GLY HA3 H 63 3.760 3.892 -0.132 1
1 532 . 11 1 1 A 63 63 GLY C C 63 173.666 174.557 -0.891 1
1 533 . 11 1 1 A 63 63 GLY CA C 63 47.919 47.355 0.564 1
1 534 . 11 1 1 A 63 63 GLY N N 63 113.974 115.233 -1.259 1
1 535 . 11 1 1 A 64 64 ARG H H 64 8.595 8.430 0.165 1
1 536 . 11 1 1 A 64 64 ARG HA H 64 4.144 4.394 -0.250 1
1 544 . 11 1 1 A 64 64 ARG C C 64 175.001 174.908 0.093 1
1 545 . 11 1 1 A 64 64 ARG CA C 64 55.449 55.382 0.067 1
1 546 . 11 1 1 A 64 64 ARG CB C 64 31.649 31.096 0.553 1
1 549 . 11 1 1 A 64 64 ARG N N 64 124.516 122.351 2.165 1
1 551 . 11 1 1 A 65 65 TYR H H 65 7.959 7.629 0.330 1
1 552 . 11 1 1 A 65 65 TYR HA H 65 5.515 5.435 0.080 1
1 559 . 11 1 1 A 65 65 TYR C C 65 176.353 175.956 0.397 1
1 560 . 11 1 1 A 65 65 TYR CA C 65 57.143 56.731 0.412 1
1 561 . 11 1 1 A 65 65 TYR CB C 65 42.338 41.888 0.450 1
1 566 . 11 1 1 A 65 65 TYR N N 65 119.872 118.934 0.938 1
1 567 . 11 1 1 A 66 66 THR H H 66 9.651 9.017 0.634 1
1 568 . 11 1 1 A 66 66 THR HA H 66 4.418 4.478 -0.060 1
1 573 . 11 1 1 A 66 66 THR C C 66 177.773 175.950 1.823 1
1 574 . 11 1 1 A 66 66 THR CA C 66 61.270 61.145 0.125 1
1 575 . 11 1 1 A 66 66 THR CB C 66 71.305 70.711 0.594 1
1 577 . 11 1 1 A 66 66 THR N N 66 111.062 115.026 -3.964 1
1 578 . 11 1 1 A 67 67 ALA H H 67 9.388 8.979 0.409 1
1 579 . 11 1 1 A 67 67 ALA HA H 67 4.109 4.004 0.105 1
1 583 . 11 1 1 A 67 67 ALA C C 67 177.993 179.427 -1.434 1
1 584 . 11 1 1 A 67 67 ALA CA C 67 55.247 55.370 -0.123 1
1 585 . 11 1 1 A 67 67 ALA CB C 67 18.955 18.267 0.688 1
1 586 . 11 1 1 A 67 67 ALA N N 67 125.051 124.368 0.683 1
1 587 . 11 1 1 A 68 68 ASP H H 68 7.980 7.879 0.101 1
1 588 . 11 1 1 A 68 68 ASP HA H 68 4.674 4.597 0.077 1
1 591 . 11 1 1 A 68 68 ASP C C 68 176.691 176.155 0.536 1
1 592 . 11 1 1 A 68 68 ASP CA C 68 52.824 54.646 -1.822 1
1 593 . 11 1 1 A 68 68 ASP CB C 68 39.776 41.272 -1.496 1
1 594 . 11 1 1 A 68 68 ASP N N 68 111.027 116.436 -5.409 1
1 595 . 11 1 1 A 69 69 GLY H H 69 8.052 7.820 0.232 1
1 596 . 11 1 1 A 69 69 GLY HA2 H 69 4.154 4.069 0.085 1
1 597 . 11 1 1 A 69 69 GLY HA3 H 69 3.569 4.107 -0.538 1
1 598 . 11 1 1 A 69 69 GLY C C 69 174.525 174.610 -0.085 1
1 599 . 11 1 1 A 69 69 GLY CA C 69 46.273 44.916 1.357 1
1 600 . 11 1 1 A 69 69 GLY N N 69 107.666 107.513 0.153 1
1 601 . 11 1 1 A 70 70 LYS H H 70 7.816 7.627 0.189 1
1 602 . 11 1 1 A 70 70 LYS HA H 70 4.639 4.382 0.257 1
1 611 . 11 1 1 A 70 70 LYS C C 70 176.713 176.490 0.223 1
1 612 . 11 1 1 A 70 70 LYS CA C 70 54.753 56.598 -1.845 1
1 613 . 11 1 1 A 70 70 LYS CB C 70 32.589 33.573 -0.984 1
1 617 . 11 1 1 A 70 70 LYS N N 70 120.047 120.743 -0.696 1
1 618 . 11 1 1 A 71 71 GLU H H 71 9.375 8.549 0.826 1
1 619 . 11 1 1 A 71 71 GLU HA H 71 4.366 4.073 0.293 1
1 624 . 11 1 1 A 71 71 GLU C C 71 177.910 177.824 0.086 1
1 625 . 11 1 1 A 71 71 GLU CA C 71 58.297 56.716 1.581 1
1 626 . 11 1 1 A 71 71 GLU CB C 71 29.572 31.216 -1.644 1
1 628 . 11 1 1 A 71 71 GLU N N 71 124.416 125.217 -0.801 1
1 629 . 11 1 1 A 72 72 VAL H H 72 9.028 8.751 0.277 1
1 630 . 11 1 1 A 72 72 VAL HA H 72 3.258 3.671 -0.413 1
1 638 . 11 1 1 A 72 72 VAL C C 72 177.159 177.167 -0.008 1
1 639 . 11 1 1 A 72 72 VAL CA C 72 67.561 66.831 0.730 1
1 640 . 11 1 1 A 72 72 VAL CB C 72 31.962 31.483 0.479 1
1 643 . 11 1 1 A 72 72 VAL N N 72 128.216 125.353 2.863 1
1 644 . 11 1 1 A 73 73 LEU H H 73 9.223 8.112 1.111 1
1 645 . 11 1 1 A 73 73 LEU HA H 73 3.972 3.886 0.086 1
1 655 . 11 1 1 A 73 73 LEU C C 73 180.513 179.572 0.941 1
1 656 . 11 1 1 A 73 73 LEU CA C 73 58.658 58.010 0.648 1
1 657 . 11 1 1 A 73 73 LEU CB C 73 40.458 40.749 -0.291 1
1 661 . 11 1 1 A 73 73 LEU N N 73 117.712 119.885 -2.173 1
1 662 . 11 1 1 A 74 74 GLU H H 74 7.456 7.906 -0.450 1
1 663 . 11 1 1 A 74 74 GLU HA H 74 4.133 3.929 0.204 1
1 668 . 11 1 1 A 74 74 GLU C C 74 179.695 178.553 1.142 1
1 669 . 11 1 1 A 74 74 GLU CA C 74 59.092 59.484 -0.392 1
1 670 . 11 1 1 A 74 74 GLU CB C 74 29.845 29.340 0.505 1
1 672 . 11 1 1 A 74 74 GLU N N 74 119.823 120.698 -0.875 1
1 673 . 11 1 1 A 75 75 TYR H H 75 8.706 8.419 0.287 1
1 674 . 11 1 1 A 75 75 TYR HA H 75 4.047 4.136 -0.089 1
1 681 . 11 1 1 A 75 75 TYR C C 75 179.408 176.953 2.455 1
1 682 . 11 1 1 A 75 75 TYR CA C 75 62.106 61.538 0.568 1
1 683 . 11 1 1 A 75 75 TYR CB C 75 39.275 38.833 0.442 1
1 688 . 11 1 1 A 75 75 TYR N N 75 123.223 121.115 2.108 1
1 689 . 11 1 1 A 76 76 LEU H H 76 8.586 8.617 -0.031 1
1 690 . 11 1 1 A 76 76 LEU HA H 76 4.458 4.008 0.450 1
1 700 . 11 1 1 A 76 76 LEU C C 76 178.328 179.121 -0.793 1
1 701 . 11 1 1 A 76 76 LEU CA C 76 55.395 57.784 -2.389 1
1 702 . 11 1 1 A 76 76 LEU CB C 76 41.315 41.606 -0.291 1
1 706 . 11 1 1 A 76 76 LEU N N 76 113.641 119.242 -5.601 1
1 707 . 11 1 1 A 77 77 GLY H H 77 7.868 7.923 -0.055 1
1 708 . 11 1 1 A 77 77 GLY HA2 H 77 4.541 3.690 0.851 1
1 709 . 11 1 1 A 77 77 GLY HA3 H 77 3.946 3.796 0.150 1
1 710 . 11 1 1 A 77 77 GLY C C 77 172.507 174.462 -1.955 1
1 711 . 11 1 1 A 77 77 GLY CA C 77 45.274 46.561 -1.287 1
1 712 . 11 1 1 A 77 77 GLY N N 77 108.897 106.340 2.557 1
1 713 . 11 1 1 A 78 78 ASN H H 78 7.108 7.710 -0.602 1
1 714 . 11 1 1 A 78 78 ASN HA H 78 5.208 4.720 0.488 1
1 719 . 11 1 1 A 78 78 ASN C C 78 174.475 175.354 -0.879 1
1 720 . 11 1 1 A 78 78 ASN CA C 78 49.514 50.986 -1.472 1
1 721 . 11 1 1 A 78 78 ASN CB C 78 39.531 39.559 -0.028 1
1 722 . 11 1 1 A 78 78 ASN N N 78 119.451 119.031 0.420 1
1 724 . 11 1 1 A 79 79 PRO HA H 79 3.589 4.004 -0.415 1
1 731 . 11 1 1 A 79 79 PRO C C 79 177.877 177.242 0.635 1
1 732 . 11 1 1 A 79 79 PRO CA C 79 64.697 64.553 0.144 1
1 733 . 11 1 1 A 79 79 PRO CB C 79 30.935 31.731 -0.796 1
1 736 . 11 1 1 A 80 80 ALA H H 80 7.842 8.000 -0.158 1
1 737 . 11 1 1 A 80 80 ALA HA H 80 4.197 4.012 0.185 1
1 741 . 11 1 1 A 80 80 ALA C C 80 178.566 177.525 1.041 1
1 742 . 11 1 1 A 80 80 ALA CA C 80 53.801 53.525 0.276 1
1 743 . 11 1 1 A 80 80 ALA CB C 80 18.366 18.265 0.101 1
1 744 . 11 1 1 A 80 80 ALA N N 80 119.231 118.515 0.716 1
1 745 . 11 1 1 A 81 81 ASN H H 81 7.714 7.862 -0.148 1
1 746 . 11 1 1 A 81 81 ASN HA H 81 4.662 5.059 -0.397 1
1 751 . 11 1 1 A 81 81 ASN C C 81 172.714 175.777 -3.063 1
1 752 . 11 1 1 A 81 81 ASN CA C 81 52.960 51.502 1.458 1
1 753 . 11 1 1 A 81 81 ASN CB C 81 37.946 38.314 -0.368 1
1 754 . 11 1 1 A 81 81 ASN N N 81 113.680 113.536 0.144 1
1 756 . 11 1 1 A 82 82 TYR H H 82 7.299 7.316 -0.017 1
1 757 . 11 1 1 A 82 82 TYR HA H 82 4.283 4.532 -0.249 1
1 763 . 11 1 1 A 82 82 TYR C C 82 174.383 176.453 -2.070 1
1 764 . 11 1 1 A 82 82 TYR CA C 82 57.061 61.412 -4.351 1
1 765 . 11 1 1 A 82 82 TYR CB C 82 39.447 37.645 1.802 1
1 770 . 11 1 1 A 82 82 TYR N N 82 118.625 121.450 -2.825 1
1 771 . 11 1 1 A 83 83 PRO HA H 83 4.381 4.726 -0.345 1
1 778 . 11 1 1 A 83 83 PRO CA C 83 62.946 62.932 0.014 1
1 779 . 11 1 1 A 83 83 PRO CB C 83 32.088 31.680 0.408 1
1 782 . 11 1 1 A 84 84 VAL HA H 84 4.956 5.154 -0.198 1
1 790 . 11 1 1 A 84 84 VAL CA C 84 59.200 59.374 -0.174 1
1 791 . 11 1 1 A 84 84 VAL CB C 84 35.235 35.262 -0.027 1
1 794 . 11 1 1 A 85 85 SER H H 85 8.491 9.137 -0.646 1
1 795 . 11 1 1 A 85 85 SER HA H 85 5.655 5.200 0.455 1
1 798 . 11 1 1 A 85 85 SER C C 85 174.729 173.416 1.313 1
1 799 . 11 1 1 A 85 85 SER CA C 85 56.679 58.073 -1.394 1
1 800 . 11 1 1 A 85 85 SER CB C 85 64.021 64.812 -0.791 1
1 801 . 11 1 1 A 85 85 SER N N 85 121.531 121.955 -0.424 1
1 802 . 11 1 1 A 86 86 ILE H H 86 9.318 9.103 0.215 1
1 803 . 11 1 1 A 86 86 ILE HA H 86 4.803 4.837 -0.034 1
1 813 . 11 1 1 A 86 86 ILE C C 86 173.918 174.602 -0.684 1
1 814 . 11 1 1 A 86 86 ILE CA C 86 60.802 59.470 1.332 1
1 815 . 11 1 1 A 86 86 ILE CB C 86 41.352 41.563 -0.211 1
1 819 . 11 1 1 A 86 86 ILE N N 86 126.689 124.029 2.660 1
1 820 . 11 1 1 A 88 88 PHE HA H 88 5.866 5.466 0.400 1
1 826 . 11 1 1 A 88 88 PHE C C 88 175.891 175.421 0.470 1
1 827 . 11 1 1 A 88 88 PHE CA C 88 56.349 55.940 0.409 1
1 828 . 11 1 1 A 88 88 PHE CB C 88 44.020 43.601 0.419 1
1 832 . 11 1 1 A 89 89 GLY H H 89 8.913 8.774 0.139 1
1 833 . 11 1 1 A 89 89 GLY HA2 H 89 4.090 4.373 -0.283 1
1 834 . 11 1 1 A 89 89 GLY HA3 H 89 4.090 4.437 -0.347 1
1 835 . 11 1 1 A 89 89 GLY C C 89 171.617 171.996 -0.379 1
1 836 . 11 1 1 A 89 89 GLY CA C 89 45.684 45.855 -0.171 1
1 837 . 11 1 1 A 89 89 GLY N N 89 105.946 108.780 -2.834 1
1 838 . 11 1 1 A 90 90 ARG H H 90 8.880 8.267 0.613 1
1 839 . 11 1 1 A 90 90 ARG HA H 90 4.628 4.606 0.022 1
1 846 . 11 1 1 A 90 90 ARG CA C 90 54.341 54.766 -0.425 1
1 847 . 11 1 1 A 90 90 ARG CB C 90 30.326 29.660 0.666 1
1 850 . 11 1 1 A 90 90 ARG N N 90 123.099 120.868 2.231 1
1 851 . 11 1 1 A 91 91 PRO HA H 91 4.390 4.477 -0.087 1
1 858 . 11 1 1 A 91 91 PRO CA C 91 62.994 64.160 -1.166 1
1 859 . 11 1 1 A 91 91 PRO CB C 91 32.136 32.003 0.133 1
1 862 . 11 1 1 A 92 92 ARG H H 92 8.506 7.808 0.698 1
1 863 . 11 1 1 A 92 92 ARG HA H 92 4.321 4.928 -0.607 1
1 867 . 11 1 1 A 92 92 ARG C C 92 176.279 174.538 1.741 1
1 868 . 11 1 1 A 92 92 ARG CA C 92 56.320 54.558 1.762 1
1 869 . 11 1 1 A 92 92 ARG CB C 92 30.937 35.364 -4.427 1
1 871 . 11 1 1 A 92 92 ARG N N 92 121.873 119.553 2.320 1
1 872 . 11 1 1 A 93 93 LEU H H 93 8.537 8.951 -0.414 1
1 873 . 11 1 1 A 93 93 LEU HA H 93 4.479 4.983 -0.504 1
1 876 . 11 1 1 A 93 93 LEU C C 93 177.444 176.200 1.244 1
1 877 . 11 1 1 A 93 93 LEU CA C 93 55.187 53.560 1.627 1
1 878 . 11 1 1 A 93 93 LEU CB C 93 42.551 45.819 -3.268 1
1 879 . 11 1 1 A 93 93 LEU N N 93 124.440 122.099 2.341 1
1 880 . 11 1 1 A 94 94 THR H H 94 8.183 8.516 -0.333 1
1 881 . 11 1 1 A 94 94 THR HA H 94 4.444 4.223 0.221 1
1 886 . 11 1 1 A 94 94 THR C C 94 174.383 174.403 -0.020 1
1 887 . 11 1 1 A 94 94 THR CA C 94 61.515 62.438 -0.923 1
1 888 . 11 1 1 A 94 94 THR CB C 94 70.080 68.755 1.325 1
1 890 . 11 1 1 A 94 94 THR N N 94 114.261 114.785 -0.524 1
1 891 . 11 1 1 A 95 95 SER H H 95 8.394 8.907 -0.513 1
1 892 . 11 1 1 A 95 95 SER HA H 95 4.502 4.079 0.423 1
1 895 . 11 1 1 A 95 95 SER C C 95 173.465 172.847 0.618 1
1 896 . 11 1 1 A 95 95 SER CA C 95 58.383 59.324 -0.941 1
1 897 . 11 1 1 A 95 95 SER CB C 95 64.103 61.812 2.291 1
1 898 . 11 1 1 A 95 95 SER N N 95 117.878 115.968 1.910 1
1 1 . 12 1 1 A 2 2 GLY H H 2 8.575 8.034 0.541 1
1 2 . 12 1 1 A 2 2 GLY HA3 H 2 3.941 4.012 -0.071 1
1 3 . 12 1 1 A 2 2 GLY CA C 2 45.109 45.859 -0.750 1
1 4 . 12 1 1 A 2 2 GLY N N 2 110.363 110.166 0.197 1
1 5 . 12 1 1 A 3 3 HIS H H 3 8.398 8.068 0.330 1
1 7 . 12 1 1 A 3 3 HIS CA C 3 55.958 54.438 1.520 1
1 8 . 12 1 1 A 3 3 HIS CB C 3 29.588 34.344 -4.756 1
1 9 . 12 1 1 A 3 3 HIS N N 3 118.248 117.164 1.084 1
1 10 . 12 1 1 A 6 6 HIS HA H 6 4.637 5.035 -0.398 1
1 12 . 12 1 1 A 6 6 HIS CA C 6 55.805 54.177 1.628 1
1 13 . 12 1 1 A 6 6 HIS CB C 6 29.866 33.122 -3.256 1
1 14 . 12 1 1 A 7 7 HIS H H 7 8.775 8.585 0.190 1
1 15 . 12 1 1 A 7 7 HIS HA H 7 4.639 4.667 -0.028 1
1 18 . 12 1 1 A 7 7 HIS CA C 7 55.959 54.400 1.559 1
1 19 . 12 1 1 A 7 7 HIS CB C 7 29.834 33.886 -4.052 1
1 20 . 12 1 1 A 7 7 HIS N N 7 120.965 118.272 2.693 1
1 21 . 12 1 1 A 8 8 HIS H H 8 8.591 8.757 -0.166 1
1 22 . 12 1 1 A 8 8 HIS HA H 8 4.447 4.965 -0.518 1
1 25 . 12 1 1 A 8 8 HIS CA C 8 56.009 54.903 1.106 1
1 26 . 12 1 1 A 8 8 HIS CB C 8 32.890 34.032 -1.142 1
1 27 . 12 1 1 A 8 8 HIS N N 8 122.251 117.841 4.410 1
1 28 . 12 1 1 A 9 9 LEU H H 9 8.430 8.538 -0.108 1
1 29 . 12 1 1 A 9 9 LEU HA H 9 4.359 4.051 0.308 1
1 39 . 12 1 1 A 9 9 LEU C C 9 177.241 177.090 0.151 1
1 40 . 12 1 1 A 9 9 LEU CA C 9 55.395 56.314 -0.919 1
1 41 . 12 1 1 A 9 9 LEU CB C 9 42.317 42.108 0.209 1
1 45 . 12 1 1 A 9 9 LEU N N 9 123.074 122.446 0.628 1
1 46 . 12 1 1 A 10 10 ASP H H 10 8.358 9.023 -0.665 1
1 47 . 12 1 1 A 10 10 ASP HA H 10 4.606 4.286 0.320 1
1 50 . 12 1 1 A 10 10 ASP C C 10 176.490 175.294 1.196 1
1 51 . 12 1 1 A 10 10 ASP CA C 10 54.541 55.109 -0.568 1
1 52 . 12 1 1 A 10 10 ASP CB C 10 41.244 39.554 1.690 1
1 53 . 12 1 1 A 10 10 ASP N N 10 121.299 126.146 -4.847 1
1 54 . 12 1 1 A 11 11 SER H H 11 8.212 7.627 0.585 1
1 55 . 12 1 1 A 11 11 SER HA H 11 4.367 4.514 -0.147 1
1 58 . 12 1 1 A 11 11 SER C C 11 174.210 174.053 0.157 1
1 59 . 12 1 1 A 11 11 SER CA C 11 58.750 58.874 -0.124 1
1 60 . 12 1 1 A 11 11 SER CB C 11 63.743 64.187 -0.444 1
1 61 . 12 1 1 A 11 11 SER N N 11 115.863 115.095 0.768 1
1 62 . 12 1 1 A 12 12 TYR H H 12 8.207 8.560 -0.353 1
1 63 . 12 1 1 A 12 12 TYR HA H 12 4.562 4.521 0.041 1
1 70 . 12 1 1 A 12 12 TYR C C 12 175.105 175.413 -0.308 1
1 71 . 12 1 1 A 12 12 TYR CA C 12 57.994 57.813 0.181 1
1 72 . 12 1 1 A 12 12 TYR CB C 12 38.821 39.454 -0.633 1
1 77 . 12 1 1 A 12 12 TYR N N 12 121.901 121.312 0.589 1
1 78 . 12 1 1 A 13 13 ALA H H 13 8.033 8.796 -0.763 1
1 79 . 12 1 1 A 13 13 ALA HA H 13 4.552 4.567 -0.015 1
1 83 . 12 1 1 A 13 13 ALA C C 13 174.997 176.649 -1.652 1
1 84 . 12 1 1 A 13 13 ALA CA C 13 50.585 50.098 0.487 1
1 85 . 12 1 1 A 13 13 ALA CB C 13 18.488 21.581 -3.093 1
1 86 . 12 1 1 A 13 13 ALA N N 13 126.839 121.323 5.516 1
1 87 . 12 1 1 A 14 14 PRO HA H 14 4.390 4.444 -0.054 1
1 94 . 12 1 1 A 14 14 PRO C C 14 176.894 177.112 -0.218 1
1 95 . 12 1 1 A 14 14 PRO CA C 14 63.199 64.392 -1.193 1
1 96 . 12 1 1 A 14 14 PRO CB C 14 32.210 32.035 0.175 1
1 99 . 12 1 1 A 15 15 ARG H H 15 8.492 8.039 0.453 1
1 100 . 12 1 1 A 15 15 ARG HA H 15 4.357 4.553 -0.196 1
1 104 . 12 1 1 A 15 15 ARG C C 15 176.040 175.820 0.220 1
1 105 . 12 1 1 A 15 15 ARG CA C 15 56.029 55.774 0.255 1
1 106 . 12 1 1 A 15 15 ARG CB C 15 31.097 30.799 0.298 1
1 108 . 12 1 1 A 15 15 ARG N N 15 121.148 116.523 4.625 1
1 109 . 12 1 1 A 16 16 ALA H H 16 8.511 7.602 0.909 1
1 110 . 12 1 1 A 16 16 ALA HA H 16 4.352 4.327 0.025 1
1 114 . 12 1 1 A 16 16 ALA C C 16 177.569 177.582 -0.013 1
1 115 . 12 1 1 A 16 16 ALA CA C 16 52.771 52.167 0.604 1
1 116 . 12 1 1 A 16 16 ALA CB C 16 19.291 19.728 -0.437 1
1 117 . 12 1 1 A 16 16 ALA N N 16 125.410 123.592 1.818 1
1 118 . 12 1 1 A 17 17 GLU H H 17 8.513 8.607 -0.094 1
1 119 . 12 1 1 A 17 17 GLU HA H 17 4.681 4.428 0.253 1
1 124 . 12 1 1 A 17 17 GLU C C 17 176.040 176.232 -0.192 1
1 125 . 12 1 1 A 17 17 GLU CA C 17 56.240 56.151 0.089 1
1 126 . 12 1 1 A 17 17 GLU CB C 17 31.430 30.647 0.783 1
1 128 . 12 1 1 A 17 17 GLU N N 17 120.135 118.898 1.237 1
1 129 . 12 1 1 A 20 20 LYS HA H 20 4.642 4.607 0.035 1
1 132 . 12 1 1 A 20 20 LYS C C 20 174.395 174.355 0.040 1
1 133 . 12 1 1 A 20 20 LYS CA C 20 55.041 55.382 -0.341 1
1 134 . 12 1 1 A 20 20 LYS CB C 20 36.603 36.788 -0.185 1
1 135 . 12 1 1 A 21 21 THR H H 21 8.278 8.275 0.003 1
1 136 . 12 1 1 A 21 21 THR HA H 21 5.185 4.925 0.260 1
1 141 . 12 1 1 A 21 21 THR C C 21 174.123 173.704 0.419 1
1 142 . 12 1 1 A 21 21 THR CA C 21 62.206 61.137 1.069 1
1 143 . 12 1 1 A 21 21 THR CB C 21 69.740 70.146 -0.406 1
1 145 . 12 1 1 A 21 21 THR N N 21 118.285 115.398 2.887 1
1 146 . 12 1 1 A 22 22 PHE H H 22 9.552 9.089 0.463 1
1 147 . 12 1 1 A 22 22 PHE HA H 22 4.934 5.064 -0.130 1
1 155 . 12 1 1 A 22 22 PHE CA C 22 57.809 55.709 2.100 1
1 156 . 12 1 1 A 22 22 PHE CB C 22 43.018 44.169 -1.151 1
1 162 . 12 1 1 A 22 22 PHE N N 22 125.884 120.896 4.988 1
1 163 . 12 1 1 A 23 23 SER H H 23 8.489 8.650 -0.161 1
1 164 . 12 1 1 A 23 23 SER HA H 23 4.874 4.887 -0.013 1
1 167 . 12 1 1 A 23 23 SER CA C 23 57.308 57.065 0.243 1
1 168 . 12 1 1 A 23 23 SER CB C 23 65.134 67.412 -2.278 1
1 169 . 12 1 1 A 23 23 SER N N 23 116.064 114.636 1.428 1
1 170 . 12 1 1 A 24 24 TYR H H 24 8.561 8.374 0.187 1
1 171 . 12 1 1 A 24 24 TYR HA H 24 3.787 4.753 -0.966 1
1 178 . 12 1 1 A 24 24 TYR CA C 24 55.942 55.749 0.193 1
1 179 . 12 1 1 A 24 24 TYR CB C 24 39.190 41.427 -2.237 1
1 184 . 12 1 1 A 24 24 TYR N N 24 120.614 119.373 1.241 1
1 185 . 12 1 1 A 25 25 PRO HA H 25 3.195 4.451 -1.256 1
1 192 . 12 1 1 A 25 25 PRO CA C 25 61.641 62.970 -1.329 1
1 193 . 12 1 1 A 25 25 PRO CB C 25 33.950 32.136 1.814 1
1 196 . 12 1 1 A 29 29 LEU HA H 29 4.651 4.913 -0.262 1
1 199 . 12 1 1 A 29 29 LEU C C 29 175.676 175.616 0.060 1
1 200 . 12 1 1 A 29 29 LEU CA C 29 54.443 53.610 0.833 1
1 201 . 12 1 1 A 29 29 LEU CB C 29 43.096 46.277 -3.181 1
1 204 . 12 1 1 A 30 30 LEU H H 30 8.665 8.765 -0.100 1
1 205 . 12 1 1 A 30 30 LEU HA H 30 5.369 5.417 -0.048 1
1 212 . 12 1 1 A 30 30 LEU C C 30 176.370 175.138 1.232 1
1 213 . 12 1 1 A 30 30 LEU CA C 30 53.005 53.822 -0.817 1
1 214 . 12 1 1 A 30 30 LEU CB C 30 43.867 46.203 -2.336 1
1 217 . 12 1 1 A 30 30 LEU N N 30 126.293 122.750 3.543 1
1 218 . 12 1 1 A 31 31 LYS H H 31 9.288 9.061 0.227 1
1 219 . 12 1 1 A 31 31 LYS HA H 31 4.664 4.959 -0.295 1
1 228 . 12 1 1 A 31 31 LYS C C 31 173.995 174.755 -0.760 1
1 229 . 12 1 1 A 31 31 LYS CA C 31 54.758 54.399 0.359 1
1 230 . 12 1 1 A 31 31 LYS CB C 31 37.173 36.239 0.934 1
1 234 . 12 1 1 A 31 31 LYS N N 31 119.484 119.460 0.024 1
1 235 . 12 1 1 A 32 32 LEU H H 32 8.724 8.488 0.236 1
1 236 . 12 1 1 A 32 32 LEU HA H 32 4.972 4.789 0.183 1
1 246 . 12 1 1 A 32 32 LEU C C 32 177.274 175.575 1.699 1
1 247 . 12 1 1 A 32 32 LEU CA C 32 54.494 55.030 -0.536 1
1 248 . 12 1 1 A 32 32 LEU CB C 32 43.119 42.785 0.334 1
1 252 . 12 1 1 A 32 32 LEU N N 32 124.082 124.789 -0.707 1
1 253 . 12 1 1 A 33 33 HIS H H 33 9.361 9.293 0.068 1
1 254 . 12 1 1 A 33 33 HIS HA H 33 4.698 4.843 -0.145 1
1 257 . 12 1 1 A 33 33 HIS C C 33 174.092 173.918 0.174 1
1 258 . 12 1 1 A 33 33 HIS CA C 33 56.497 55.814 0.683 1
1 259 . 12 1 1 A 33 33 HIS CB C 33 32.274 33.677 -1.403 1
1 260 . 12 1 1 A 33 33 HIS N N 33 125.743 125.006 0.737 1
1 261 . 12 1 1 A 34 34 ASP H H 34 9.134 9.017 0.117 1
1 262 . 12 1 1 A 34 34 ASP HA H 34 4.146 3.979 0.167 1
1 265 . 12 1 1 A 34 34 ASP C C 34 174.644 175.078 -0.434 1
1 266 . 12 1 1 A 34 34 ASP CA C 34 55.976 54.943 1.033 1
1 267 . 12 1 1 A 34 34 ASP CB C 34 39.179 39.452 -0.273 1
1 268 . 12 1 1 A 34 34 ASP N N 34 128.890 126.547 2.343 1
1 269 . 12 1 1 A 35 35 GLU H H 35 8.648 8.508 0.140 1
1 270 . 12 1 1 A 35 35 GLU HA H 35 3.681 3.811 -0.130 1
1 275 . 12 1 1 A 35 35 GLU C C 35 174.234 174.963 -0.729 1
1 276 . 12 1 1 A 35 35 GLU CA C 35 57.346 58.007 -0.661 1
1 277 . 12 1 1 A 35 35 GLU CB C 35 27.735 27.873 -0.138 1
1 279 . 12 1 1 A 35 35 GLU N N 35 109.734 110.144 -0.410 1
1 280 . 12 1 1 A 36 36 ARG H H 36 7.710 7.620 0.090 1
1 281 . 12 1 1 A 36 36 ARG HA H 36 4.515 4.853 -0.338 1
1 285 . 12 1 1 A 36 36 ARG C C 36 174.063 175.166 -1.103 1
1 286 . 12 1 1 A 36 36 ARG CA C 36 54.212 53.955 0.257 1
1 287 . 12 1 1 A 36 36 ARG CB C 36 33.371 33.889 -0.518 1
1 289 . 12 1 1 A 36 36 ARG N N 36 116.091 119.045 -2.954 1
1 290 . 12 1 1 A 37 37 VAL H H 37 8.803 8.368 0.435 1
1 291 . 12 1 1 A 37 37 VAL HA H 37 4.375 4.780 -0.405 1
1 299 . 12 1 1 A 37 37 VAL C C 37 174.388 175.435 -1.047 1
1 300 . 12 1 1 A 37 37 VAL CA C 37 62.620 61.568 1.052 1
1 301 . 12 1 1 A 37 37 VAL CB C 37 31.484 33.096 -1.612 1
1 304 . 12 1 1 A 37 37 VAL N N 37 122.430 119.889 2.541 1
1 305 . 12 1 1 A 38 38 LEU H H 38 8.966 9.117 -0.151 1
1 306 . 12 1 1 A 38 38 LEU HA H 38 5.495 5.397 0.098 1
1 316 . 12 1 1 A 38 38 LEU C C 38 177.365 176.327 1.038 1
1 317 . 12 1 1 A 38 38 LEU CA C 38 52.624 53.369 -0.745 1
1 318 . 12 1 1 A 38 38 LEU CB C 38 46.189 45.125 1.064 1
1 322 . 12 1 1 A 38 38 LEU N N 38 125.739 127.801 -2.062 1
1 323 . 12 1 1 A 39 39 VAL H H 39 8.899 9.143 -0.244 1
1 324 . 12 1 1 A 39 39 VAL HA H 39 4.006 3.866 0.140 1
1 332 . 12 1 1 A 39 39 VAL C C 39 176.380 175.666 0.714 1
1 333 . 12 1 1 A 39 39 VAL CA C 39 63.763 63.373 0.390 1
1 334 . 12 1 1 A 39 39 VAL CB C 39 31.629 30.775 0.854 1
1 337 . 12 1 1 A 39 39 VAL N N 39 119.125 123.117 -3.992 1
1 338 . 12 1 1 A 40 40 ALA H H 40 9.755 8.739 1.016 1
1 339 . 12 1 1 A 40 40 ALA HA H 40 4.533 4.167 0.366 1
1 343 . 12 1 1 A 40 40 ALA C C 40 176.636 177.196 -0.560 1
1 344 . 12 1 1 A 40 40 ALA CA C 40 52.536 54.360 -1.824 1
1 345 . 12 1 1 A 40 40 ALA CB C 40 20.860 19.673 1.187 1
1 346 . 12 1 1 A 40 40 ALA N N 40 133.618 130.487 3.131 1
1 347 . 12 1 1 A 41 41 PHE H H 41 7.761 7.495 0.266 1
1 348 . 12 1 1 A 41 41 PHE HA H 41 4.299 4.691 -0.392 1
1 353 . 12 1 1 A 41 41 PHE C C 41 172.990 173.530 -0.540 1
1 354 . 12 1 1 A 41 41 PHE CA C 41 59.306 57.290 2.016 1
1 355 . 12 1 1 A 41 41 PHE CB C 41 42.621 42.465 0.156 1
1 358 . 12 1 1 A 41 41 PHE N N 41 117.497 116.265 1.232 1
1 359 . 12 1 1 A 42 42 GLY H H 42 7.709 7.668 0.041 1
1 360 . 12 1 1 A 42 42 GLY HA2 H 42 4.190 3.988 0.202 1
1 361 . 12 1 1 A 42 42 GLY HA3 H 42 3.327 4.005 -0.678 1
1 362 . 12 1 1 A 42 42 GLY C C 42 171.542 174.607 -3.065 1
1 363 . 12 1 1 A 42 42 GLY CA C 42 44.310 45.297 -0.987 1
1 364 . 12 1 1 A 42 42 GLY N N 42 114.790 111.315 3.475 1
1 365 . 12 1 1 A 43 43 GLN HA H 43 4.366 3.849 0.517 1
1 372 . 12 1 1 A 43 43 GLN CA C 43 55.207 58.014 -2.807 1
1 373 . 12 1 1 A 43 43 GLN CB C 43 30.347 28.164 2.183 1
1 376 . 12 1 1 A 49 49 VAL HA H 49 3.386 3.362 0.024 1
1 384 . 12 1 1 A 49 49 VAL C C 49 177.680 177.108 0.572 1
1 385 . 12 1 1 A 49 49 VAL CA C 49 64.730 65.128 -0.398 1
1 386 . 12 1 1 A 49 49 VAL CB C 49 31.489 31.367 0.122 1
1 389 . 12 1 1 A 50 50 GLY H H 50 9.040 9.040 0.000 1
1 390 . 12 1 1 A 50 50 GLY HA2 H 50 4.505 3.904 0.601 1
1 391 . 12 1 1 A 50 50 GLY HA3 H 50 3.562 3.910 -0.348 1
1 392 . 12 1 1 A 50 50 GLY C C 50 175.034 174.599 0.435 1
1 393 . 12 1 1 A 50 50 GLY CA C 50 44.901 45.106 -0.205 1
1 394 . 12 1 1 A 50 50 GLY N N 50 115.994 115.067 0.927 1
1 395 . 12 1 1 A 51 51 HIS H H 51 8.228 7.724 0.504 1
1 396 . 12 1 1 A 51 51 HIS HA H 51 4.614 4.457 0.157 1
1 400 . 12 1 1 A 51 51 HIS C C 51 174.681 174.967 -0.286 1
1 401 . 12 1 1 A 51 51 HIS CA C 51 57.434 56.688 0.746 1
1 402 . 12 1 1 A 51 51 HIS CB C 51 32.934 30.257 2.677 1
1 404 . 12 1 1 A 51 51 HIS N N 51 120.280 118.598 1.682 1
1 405 . 12 1 1 A 52 52 ALA H H 52 9.229 8.821 0.408 1
1 406 . 12 1 1 A 52 52 ALA HA H 52 5.587 4.715 0.872 1
1 410 . 12 1 1 A 52 52 ALA C C 52 177.988 177.795 0.193 1
1 411 . 12 1 1 A 52 52 ALA CA C 52 50.053 51.164 -1.111 1
1 412 . 12 1 1 A 52 52 ALA CB C 52 22.023 19.876 2.147 1
1 413 . 12 1 1 A 52 52 ALA N N 52 121.598 124.509 -2.911 1
1 414 . 12 1 1 A 53 53 VAL HA H 53 3.473 4.209 -0.736 1
1 422 . 12 1 1 A 53 53 VAL C C 53 175.227 175.884 -0.657 1
1 423 . 12 1 1 A 53 53 VAL CA C 53 63.914 63.452 0.462 1
1 424 . 12 1 1 A 53 53 VAL CB C 53 32.339 32.376 -0.037 1
1 427 . 12 1 1 A 54 54 LEU H H 54 9.067 9.342 -0.275 1
1 428 . 12 1 1 A 54 54 LEU HA H 54 4.599 4.596 0.003 1
1 434 . 12 1 1 A 54 54 LEU C C 54 178.208 176.541 1.667 1
1 435 . 12 1 1 A 54 54 LEU CA C 54 55.084 55.800 -0.716 1
1 436 . 12 1 1 A 54 54 LEU CB C 54 43.490 43.814 -0.324 1
1 439 . 12 1 1 A 54 54 LEU N N 54 126.184 127.169 -0.985 1
1 440 . 12 1 1 A 55 55 ALA H H 55 7.665 7.586 0.079 1
1 441 . 12 1 1 A 55 55 ALA HA H 55 4.889 4.946 -0.057 1
1 445 . 12 1 1 A 55 55 ALA C C 55 175.085 175.225 -0.140 1
1 446 . 12 1 1 A 55 55 ALA CA C 55 52.600 51.611 0.989 1
1 447 . 12 1 1 A 55 55 ALA CB C 55 21.847 22.770 -0.923 1
1 448 . 12 1 1 A 55 55 ALA N N 55 119.807 116.965 2.842 1
1 449 . 12 1 1 A 56 56 ILE H H 56 8.209 8.783 -0.574 1
1 450 . 12 1 1 A 56 56 ILE HA H 56 4.643 4.802 -0.159 1
1 460 . 12 1 1 A 56 56 ILE C C 56 176.001 175.942 0.059 1
1 461 . 12 1 1 A 56 56 ILE CA C 56 59.817 60.014 -0.197 1
1 462 . 12 1 1 A 56 56 ILE CB C 56 41.035 40.726 0.309 1
1 466 . 12 1 1 A 56 56 ILE N N 56 119.114 118.711 0.403 1
1 467 . 12 1 1 A 57 57 ASN H H 57 10.090 9.804 0.286 1
1 468 . 12 1 1 A 57 57 ASN HA H 57 4.523 4.499 0.024 1
1 473 . 12 1 1 A 57 57 ASN C C 57 175.371 175.280 0.091 1
1 474 . 12 1 1 A 57 57 ASN CA C 57 54.161 54.584 -0.423 1
1 475 . 12 1 1 A 57 57 ASN CB C 57 36.953 37.111 -0.158 1
1 476 . 12 1 1 A 57 57 ASN N N 57 128.487 127.177 1.310 1
1 478 . 12 1 1 A 58 58 GLY H H 58 9.200 8.444 0.756 1
1 479 . 12 1 1 A 58 58 GLY HA2 H 58 4.080 3.837 0.243 1
1 480 . 12 1 1 A 58 58 GLY HA3 H 58 3.513 3.857 -0.344 1
1 481 . 12 1 1 A 58 58 GLY C C 58 174.149 173.913 0.236 1
1 482 . 12 1 1 A 58 58 GLY CA C 58 45.464 45.386 0.078 1
1 483 . 12 1 1 A 58 58 GLY N N 58 103.720 104.706 -0.986 1
1 484 . 12 1 1 A 59 59 MET H H 59 7.852 8.172 -0.320 1
1 485 . 12 1 1 A 59 59 MET HA H 59 4.801 4.380 0.421 1
1 490 . 12 1 1 A 59 59 MET C C 59 175.661 175.137 0.524 1
1 491 . 12 1 1 A 59 59 MET CA C 59 53.528 54.440 -0.912 1
1 492 . 12 1 1 A 59 59 MET CB C 59 33.623 32.120 1.503 1
1 494 . 12 1 1 A 59 59 MET N N 59 120.479 120.917 -0.438 1
1 495 . 12 1 1 A 60 60 ASP H H 60 8.931 8.633 0.298 1
1 496 . 12 1 1 A 60 60 ASP HA H 60 4.696 4.741 -0.045 1
1 499 . 12 1 1 A 60 60 ASP C C 60 176.608 175.687 0.921 1
1 500 . 12 1 1 A 60 60 ASP CA C 60 55.789 55.031 0.758 1
1 501 . 12 1 1 A 60 60 ASP CB C 60 40.793 41.501 -0.708 1
1 502 . 12 1 1 A 60 60 ASP N N 60 127.746 126.707 1.039 1
1 503 . 12 1 1 A 61 61 VAL H H 61 7.734 8.745 -1.011 1
1 504 . 12 1 1 A 61 61 VAL HA H 61 4.216 4.571 -0.355 1
1 512 . 12 1 1 A 61 61 VAL C C 61 174.993 174.610 0.383 1
1 513 . 12 1 1 A 61 61 VAL CA C 61 60.816 60.902 -0.086 1
1 514 . 12 1 1 A 61 61 VAL CB C 61 32.006 33.093 -1.087 1
1 517 . 12 1 1 A 61 61 VAL N N 61 117.791 121.227 -3.436 1
1 518 . 12 1 1 A 62 62 ASN H H 62 9.011 9.011 0.000 1
1 519 . 12 1 1 A 62 62 ASN HA H 62 5.044 4.935 0.109 1
1 524 . 12 1 1 A 62 62 ASN C C 62 175.375 175.813 -0.438 1
1 525 . 12 1 1 A 62 62 ASN CA C 62 51.604 52.158 -0.554 1
1 526 . 12 1 1 A 62 62 ASN CB C 62 39.209 37.390 1.819 1
1 527 . 12 1 1 A 62 62 ASN N N 62 124.361 124.290 0.071 1
1 529 . 12 1 1 A 63 63 GLY H H 63 8.699 8.782 -0.083 1
1 530 . 12 1 1 A 63 63 GLY HA2 H 63 4.267 3.863 0.404 1
1 531 . 12 1 1 A 63 63 GLY HA3 H 63 3.760 3.899 -0.139 1
1 532 . 12 1 1 A 63 63 GLY C C 63 173.666 174.152 -0.486 1
1 533 . 12 1 1 A 63 63 GLY CA C 63 47.919 46.033 1.886 1
1 534 . 12 1 1 A 63 63 GLY N N 63 113.974 114.710 -0.736 1
1 535 . 12 1 1 A 64 64 ARG H H 64 8.595 8.286 0.309 1
1 536 . 12 1 1 A 64 64 ARG HA H 64 4.144 4.422 -0.278 1
1 544 . 12 1 1 A 64 64 ARG C C 64 175.001 174.662 0.339 1
1 545 . 12 1 1 A 64 64 ARG CA C 64 55.449 55.571 -0.122 1
1 546 . 12 1 1 A 64 64 ARG CB C 64 31.649 32.028 -0.379 1
1 549 . 12 1 1 A 64 64 ARG N N 64 124.516 118.314 6.202 1
1 551 . 12 1 1 A 65 65 TYR H H 65 7.959 7.590 0.369 1
1 552 . 12 1 1 A 65 65 TYR HA H 65 5.515 5.338 0.177 1
1 559 . 12 1 1 A 65 65 TYR C C 65 176.353 175.986 0.367 1
1 560 . 12 1 1 A 65 65 TYR CA C 65 57.143 56.745 0.398 1
1 561 . 12 1 1 A 65 65 TYR CB C 65 42.338 41.594 0.744 1
1 566 . 12 1 1 A 65 65 TYR N N 65 119.872 118.616 1.256 1
1 567 . 12 1 1 A 66 66 THR H H 66 9.651 8.970 0.681 1
1 568 . 12 1 1 A 66 66 THR HA H 66 4.418 4.448 -0.030 1
1 573 . 12 1 1 A 66 66 THR C C 66 177.773 175.923 1.850 1
1 574 . 12 1 1 A 66 66 THR CA C 66 61.270 61.111 0.159 1
1 575 . 12 1 1 A 66 66 THR CB C 66 71.305 70.568 0.737 1
1 577 . 12 1 1 A 66 66 THR N N 66 111.062 114.639 -3.577 1
1 578 . 12 1 1 A 67 67 ALA H H 67 9.388 8.973 0.415 1
1 579 . 12 1 1 A 67 67 ALA HA H 67 4.109 3.995 0.114 1
1 583 . 12 1 1 A 67 67 ALA C C 67 177.993 179.401 -1.408 1
1 584 . 12 1 1 A 67 67 ALA CA C 67 55.247 55.354 -0.107 1
1 585 . 12 1 1 A 67 67 ALA CB C 67 18.955 18.248 0.707 1
1 586 . 12 1 1 A 67 67 ALA N N 67 125.051 124.235 0.816 1
1 587 . 12 1 1 A 68 68 ASP H H 68 7.980 7.839 0.141 1
1 588 . 12 1 1 A 68 68 ASP HA H 68 4.674 4.585 0.089 1
1 591 . 12 1 1 A 68 68 ASP C C 68 176.691 176.116 0.575 1
1 592 . 12 1 1 A 68 68 ASP CA C 68 52.824 54.623 -1.799 1
1 593 . 12 1 1 A 68 68 ASP CB C 68 39.776 41.264 -1.488 1
1 594 . 12 1 1 A 68 68 ASP N N 68 111.027 116.197 -5.170 1
1 595 . 12 1 1 A 69 69 GLY H H 69 8.052 7.751 0.301 1
1 596 . 12 1 1 A 69 69 GLY HA2 H 69 4.154 3.989 0.165 1
1 597 . 12 1 1 A 69 69 GLY HA3 H 69 3.569 4.034 -0.465 1
1 598 . 12 1 1 A 69 69 GLY C C 69 174.525 174.477 0.048 1
1 599 . 12 1 1 A 69 69 GLY CA C 69 46.273 44.824 1.449 1
1 600 . 12 1 1 A 69 69 GLY N N 69 107.666 107.462 0.204 1
1 601 . 12 1 1 A 70 70 LYS H H 70 7.816 7.599 0.217 1
1 602 . 12 1 1 A 70 70 LYS HA H 70 4.639 4.310 0.329 1
1 611 . 12 1 1 A 70 70 LYS C C 70 176.713 176.499 0.214 1
1 612 . 12 1 1 A 70 70 LYS CA C 70 54.753 56.501 -1.748 1
1 613 . 12 1 1 A 70 70 LYS CB C 70 32.589 33.437 -0.848 1
1 617 . 12 1 1 A 70 70 LYS N N 70 120.047 120.569 -0.522 1
1 618 . 12 1 1 A 71 71 GLU H H 71 9.375 8.603 0.772 1
1 619 . 12 1 1 A 71 71 GLU HA H 71 4.366 4.564 -0.198 1
1 624 . 12 1 1 A 71 71 GLU C C 71 177.910 178.010 -0.100 1
1 625 . 12 1 1 A 71 71 GLU CA C 71 58.297 57.144 1.153 1
1 626 . 12 1 1 A 71 71 GLU CB C 71 29.572 31.232 -1.660 1
1 628 . 12 1 1 A 71 71 GLU N N 71 124.416 125.190 -0.774 1
1 629 . 12 1 1 A 72 72 VAL H H 72 9.028 8.784 0.244 1
1 630 . 12 1 1 A 72 72 VAL HA H 72 3.258 3.777 -0.519 1
1 638 . 12 1 1 A 72 72 VAL C C 72 177.159 177.270 -0.111 1
1 639 . 12 1 1 A 72 72 VAL CA C 72 67.561 66.550 1.011 1
1 640 . 12 1 1 A 72 72 VAL CB C 72 31.962 31.547 0.415 1
1 643 . 12 1 1 A 72 72 VAL N N 72 128.216 126.143 2.073 1
1 644 . 12 1 1 A 73 73 LEU H H 73 9.223 8.232 0.991 1
1 645 . 12 1 1 A 73 73 LEU HA H 73 3.972 3.938 0.034 1
1 655 . 12 1 1 A 73 73 LEU C C 73 180.513 179.511 1.002 1
1 656 . 12 1 1 A 73 73 LEU CA C 73 58.658 58.111 0.547 1
1 657 . 12 1 1 A 73 73 LEU CB C 73 40.458 41.153 -0.695 1
1 661 . 12 1 1 A 73 73 LEU N N 73 117.712 120.273 -2.561 1
1 662 . 12 1 1 A 74 74 GLU H H 74 7.456 8.088 -0.632 1
1 663 . 12 1 1 A 74 74 GLU HA H 74 4.133 4.032 0.101 1
1 668 . 12 1 1 A 74 74 GLU C C 74 179.695 178.617 1.078 1
1 669 . 12 1 1 A 74 74 GLU CA C 74 59.092 59.670 -0.578 1
1 670 . 12 1 1 A 74 74 GLU CB C 74 29.845 29.392 0.453 1
1 672 . 12 1 1 A 74 74 GLU N N 74 119.823 119.101 0.722 1
1 673 . 12 1 1 A 75 75 TYR H H 75 8.706 8.293 0.413 1
1 674 . 12 1 1 A 75 75 TYR HA H 75 4.047 4.206 -0.159 1
1 681 . 12 1 1 A 75 75 TYR C C 75 179.408 176.822 2.586 1
1 682 . 12 1 1 A 75 75 TYR CA C 75 62.106 61.599 0.507 1
1 683 . 12 1 1 A 75 75 TYR CB C 75 39.275 38.866 0.409 1
1 688 . 12 1 1 A 75 75 TYR N N 75 123.223 122.420 0.803 1
1 689 . 12 1 1 A 76 76 LEU H H 76 8.586 8.722 -0.136 1
1 690 . 12 1 1 A 76 76 LEU HA H 76 4.458 4.043 0.415 1
1 700 . 12 1 1 A 76 76 LEU C C 76 178.328 179.439 -1.111 1
1 701 . 12 1 1 A 76 76 LEU CA C 76 55.395 58.044 -2.649 1
1 702 . 12 1 1 A 76 76 LEU CB C 76 41.315 41.855 -0.540 1
1 706 . 12 1 1 A 76 76 LEU N N 76 113.641 119.383 -5.742 1
1 707 . 12 1 1 A 77 77 GLY H H 77 7.868 8.171 -0.303 1
1 708 . 12 1 1 A 77 77 GLY HA2 H 77 4.541 3.916 0.625 1
1 709 . 12 1 1 A 77 77 GLY HA3 H 77 3.946 3.916 0.030 1
1 710 . 12 1 1 A 77 77 GLY C C 77 172.507 174.777 -2.270 1
1 711 . 12 1 1 A 77 77 GLY CA C 77 45.274 46.794 -1.520 1
1 712 . 12 1 1 A 77 77 GLY N N 77 108.897 106.593 2.304 1
1 713 . 12 1 1 A 78 78 ASN H H 78 7.108 7.759 -0.651 1
1 714 . 12 1 1 A 78 78 ASN HA H 78 5.208 4.834 0.374 1
1 719 . 12 1 1 A 78 78 ASN C C 78 174.475 175.459 -0.984 1
1 720 . 12 1 1 A 78 78 ASN CA C 78 49.514 51.140 -1.626 1
1 721 . 12 1 1 A 78 78 ASN CB C 78 39.531 39.653 -0.122 1
1 722 . 12 1 1 A 78 78 ASN N N 78 119.451 119.612 -0.161 1
1 724 . 12 1 1 A 79 79 PRO HA H 79 3.589 3.986 -0.397 1
1 731 . 12 1 1 A 79 79 PRO C C 79 177.877 177.126 0.751 1
1 732 . 12 1 1 A 79 79 PRO CA C 79 64.697 63.813 0.884 1
1 733 . 12 1 1 A 79 79 PRO CB C 79 30.935 31.346 -0.411 1
1 736 . 12 1 1 A 80 80 ALA H H 80 7.842 8.209 -0.367 1
1 737 . 12 1 1 A 80 80 ALA HA H 80 4.197 4.123 0.074 1
1 741 . 12 1 1 A 80 80 ALA C C 80 178.566 177.562 1.004 1
1 742 . 12 1 1 A 80 80 ALA CA C 80 53.801 53.951 -0.150 1
1 743 . 12 1 1 A 80 80 ALA CB C 80 18.366 18.349 0.017 1
1 744 . 12 1 1 A 80 80 ALA N N 80 119.231 119.675 -0.444 1
1 745 . 12 1 1 A 81 81 ASN H H 81 7.714 8.029 -0.315 1
1 746 . 12 1 1 A 81 81 ASN HA H 81 4.662 5.024 -0.362 1
1 751 . 12 1 1 A 81 81 ASN C C 81 172.714 175.665 -2.951 1
1 752 . 12 1 1 A 81 81 ASN CA C 81 52.960 52.007 0.953 1
1 753 . 12 1 1 A 81 81 ASN CB C 81 37.946 39.296 -1.350 1
1 754 . 12 1 1 A 81 81 ASN N N 81 113.680 116.561 -2.881 1
1 756 . 12 1 1 A 82 82 TYR H H 82 7.299 7.617 -0.318 1
1 757 . 12 1 1 A 82 82 TYR HA H 82 4.283 4.639 -0.356 1
1 763 . 12 1 1 A 82 82 TYR C C 82 174.383 176.255 -1.872 1
1 764 . 12 1 1 A 82 82 TYR CA C 82 57.061 60.961 -3.900 1
1 765 . 12 1 1 A 82 82 TYR CB C 82 39.447 37.982 1.465 1
1 770 . 12 1 1 A 82 82 TYR N N 82 118.625 121.146 -2.521 1
1 771 . 12 1 1 A 83 83 PRO HA H 83 4.381 4.758 -0.377 1
1 778 . 12 1 1 A 83 83 PRO CA C 83 62.946 62.903 0.043 1
1 779 . 12 1 1 A 83 83 PRO CB C 83 32.088 31.745 0.343 1
1 782 . 12 1 1 A 84 84 VAL HA H 84 4.956 5.118 -0.162 1
1 790 . 12 1 1 A 84 84 VAL CA C 84 59.200 59.490 -0.290 1
1 791 . 12 1 1 A 84 84 VAL CB C 84 35.235 36.420 -1.185 1
1 794 . 12 1 1 A 85 85 SER H H 85 8.491 8.541 -0.050 1
1 795 . 12 1 1 A 85 85 SER HA H 85 5.655 5.517 0.138 1
1 798 . 12 1 1 A 85 85 SER C C 85 174.729 173.337 1.392 1
1 799 . 12 1 1 A 85 85 SER CA C 85 56.679 57.248 -0.569 1
1 800 . 12 1 1 A 85 85 SER CB C 85 64.021 65.447 -1.426 1
1 801 . 12 1 1 A 85 85 SER N N 85 121.531 117.186 4.345 1
1 802 . 12 1 1 A 86 86 ILE H H 86 9.318 9.274 0.044 1
1 803 . 12 1 1 A 86 86 ILE HA H 86 4.803 5.129 -0.326 1
1 813 . 12 1 1 A 86 86 ILE C C 86 173.918 174.792 -0.874 1
1 814 . 12 1 1 A 86 86 ILE CA C 86 60.802 59.620 1.182 1
1 815 . 12 1 1 A 86 86 ILE CB C 86 41.352 41.929 -0.577 1
1 819 . 12 1 1 A 86 86 ILE N N 86 126.689 124.048 2.641 1
1 820 . 12 1 1 A 88 88 PHE HA H 88 5.866 5.487 0.379 1
1 826 . 12 1 1 A 88 88 PHE C C 88 175.891 173.665 2.226 1
1 827 . 12 1 1 A 88 88 PHE CA C 88 56.349 55.640 0.709 1
1 828 . 12 1 1 A 88 88 PHE CB C 88 44.020 43.008 1.012 1
1 832 . 12 1 1 A 89 89 GLY H H 89 8.913 8.619 0.294 1
1 833 . 12 1 1 A 89 89 GLY HA2 H 89 4.090 4.116 -0.026 1
1 834 . 12 1 1 A 89 89 GLY HA3 H 89 4.090 4.211 -0.121 1
1 835 . 12 1 1 A 89 89 GLY C C 89 171.617 171.862 -0.245 1
1 836 . 12 1 1 A 89 89 GLY CA C 89 45.684 45.687 -0.003 1
1 837 . 12 1 1 A 89 89 GLY N N 89 105.946 105.980 -0.034 1
1 838 . 12 1 1 A 90 90 ARG H H 90 8.880 8.381 0.499 1
1 839 . 12 1 1 A 90 90 ARG HA H 90 4.628 4.697 -0.069 1
1 846 . 12 1 1 A 90 90 ARG CA C 90 54.341 54.817 -0.476 1
1 847 . 12 1 1 A 90 90 ARG CB C 90 30.326 29.740 0.586 1
1 850 . 12 1 1 A 90 90 ARG N N 90 123.099 120.795 2.304 1
1 851 . 12 1 1 A 91 91 PRO HA H 91 4.390 4.510 -0.120 1
1 858 . 12 1 1 A 91 91 PRO CA C 91 62.994 64.259 -1.265 1
1 859 . 12 1 1 A 91 91 PRO CB C 91 32.136 31.967 0.169 1
1 862 . 12 1 1 A 92 92 ARG H H 92 8.506 7.909 0.597 1
1 863 . 12 1 1 A 92 92 ARG HA H 92 4.321 4.623 -0.302 1
1 867 . 12 1 1 A 92 92 ARG C C 92 176.279 176.008 0.271 1
1 868 . 12 1 1 A 92 92 ARG CA C 92 56.320 55.019 1.301 1
1 869 . 12 1 1 A 92 92 ARG CB C 92 30.937 31.135 -0.198 1
1 871 . 12 1 1 A 92 92 ARG N N 92 121.873 117.314 4.559 1
1 872 . 12 1 1 A 93 93 LEU H H 93 8.537 8.451 0.086 1
1 873 . 12 1 1 A 93 93 LEU HA H 93 4.479 3.994 0.485 1
1 876 . 12 1 1 A 93 93 LEU C C 93 177.444 178.501 -1.057 1
1 877 . 12 1 1 A 93 93 LEU CA C 93 55.187 58.592 -3.405 1
1 878 . 12 1 1 A 93 93 LEU CB C 93 42.551 42.007 0.544 1
1 879 . 12 1 1 A 93 93 LEU N N 93 124.440 127.960 -3.520 1
1 880 . 12 1 1 A 94 94 THR H H 94 8.183 7.943 0.240 1
1 881 . 12 1 1 A 94 94 THR HA H 94 4.444 4.345 0.099 1
1 886 . 12 1 1 A 94 94 THR C C 94 174.383 175.855 -1.472 1
1 887 . 12 1 1 A 94 94 THR CA C 94 61.515 63.213 -1.698 1
1 888 . 12 1 1 A 94 94 THR CB C 94 70.080 68.957 1.123 1
1 890 . 12 1 1 A 94 94 THR N N 94 114.261 111.586 2.675 1
1 891 . 12 1 1 A 95 95 SER H H 95 8.394 8.315 0.079 1
1 892 . 12 1 1 A 95 95 SER HA H 95 4.502 4.332 0.170 1
1 895 . 12 1 1 A 95 95 SER C C 95 173.465 174.483 -1.018 1
1 896 . 12 1 1 A 95 95 SER CA C 95 58.383 60.587 -2.204 1
1 897 . 12 1 1 A 95 95 SER CB C 95 64.103 63.085 1.018 1
1 898 . 12 1 1 A 95 95 SER N N 95 117.878 117.901 -0.023 1
1 1 . 13 1 1 A 2 2 GLY H H 2 8.575 8.226 0.349 1
1 2 . 13 1 1 A 2 2 GLY HA3 H 2 3.941 4.196 -0.255 1
1 3 . 13 1 1 A 2 2 GLY CA C 2 45.109 45.438 -0.329 1
1 4 . 13 1 1 A 2 2 GLY N N 2 110.363 113.373 -3.010 1
1 5 . 13 1 1 A 3 3 HIS H H 3 8.398 7.455 0.943 1
1 7 . 13 1 1 A 3 3 HIS CA C 3 55.958 58.208 -2.250 1
1 8 . 13 1 1 A 3 3 HIS CB C 3 29.588 28.817 0.771 1
1 9 . 13 1 1 A 3 3 HIS N N 3 118.248 119.065 -0.817 1
1 10 . 13 1 1 A 6 6 HIS HA H 6 4.637 4.865 -0.228 1
1 12 . 13 1 1 A 6 6 HIS CA C 6 55.805 54.651 1.154 1
1 13 . 13 1 1 A 6 6 HIS CB C 6 29.866 33.859 -3.993 1
1 14 . 13 1 1 A 7 7 HIS H H 7 8.775 8.717 0.058 1
1 15 . 13 1 1 A 7 7 HIS HA H 7 4.639 4.388 0.251 1
1 18 . 13 1 1 A 7 7 HIS CA C 7 55.959 57.941 -1.982 1
1 19 . 13 1 1 A 7 7 HIS CB C 7 29.834 30.612 -0.778 1
1 20 . 13 1 1 A 7 7 HIS N N 7 120.965 119.547 1.418 1
1 21 . 13 1 1 A 8 8 HIS H H 8 8.591 8.590 0.001 1
1 22 . 13 1 1 A 8 8 HIS HA H 8 4.447 4.834 -0.387 1
1 25 . 13 1 1 A 8 8 HIS CA C 8 56.009 55.821 0.188 1
1 26 . 13 1 1 A 8 8 HIS CB C 8 32.890 32.132 0.758 1
1 27 . 13 1 1 A 8 8 HIS N N 8 122.251 117.491 4.760 1
1 28 . 13 1 1 A 9 9 LEU H H 9 8.430 7.181 1.249 1
1 29 . 13 1 1 A 9 9 LEU HA H 9 4.359 3.975 0.384 1
1 39 . 13 1 1 A 9 9 LEU C C 9 177.241 177.596 -0.355 1
1 40 . 13 1 1 A 9 9 LEU CA C 9 55.395 55.686 -0.291 1
1 41 . 13 1 1 A 9 9 LEU CB C 9 42.317 43.115 -0.798 1
1 45 . 13 1 1 A 9 9 LEU N N 9 123.074 120.502 2.572 1
1 46 . 13 1 1 A 10 10 ASP H H 10 8.358 8.880 -0.522 1
1 47 . 13 1 1 A 10 10 ASP HA H 10 4.606 4.433 0.173 1
1 50 . 13 1 1 A 10 10 ASP C C 10 176.490 176.834 -0.344 1
1 51 . 13 1 1 A 10 10 ASP CA C 10 54.541 56.744 -2.203 1
1 52 . 13 1 1 A 10 10 ASP CB C 10 41.244 40.605 0.639 1
1 53 . 13 1 1 A 10 10 ASP N N 10 121.299 127.013 -5.714 1
1 54 . 13 1 1 A 11 11 SER H H 11 8.212 7.780 0.432 1
1 55 . 13 1 1 A 11 11 SER HA H 11 4.367 4.474 -0.107 1
1 58 . 13 1 1 A 11 11 SER C C 11 174.210 174.157 0.053 1
1 59 . 13 1 1 A 11 11 SER CA C 11 58.750 59.080 -0.330 1
1 60 . 13 1 1 A 11 11 SER CB C 11 63.743 63.891 -0.148 1
1 61 . 13 1 1 A 11 11 SER N N 11 115.863 114.970 0.893 1
1 62 . 13 1 1 A 12 12 TYR H H 12 8.207 8.658 -0.451 1
1 63 . 13 1 1 A 12 12 TYR HA H 12 4.562 4.617 -0.055 1
1 70 . 13 1 1 A 12 12 TYR C C 12 175.105 174.943 0.162 1
1 71 . 13 1 1 A 12 12 TYR CA C 12 57.994 57.904 0.090 1
1 72 . 13 1 1 A 12 12 TYR CB C 12 38.821 39.943 -1.122 1
1 77 . 13 1 1 A 12 12 TYR N N 12 121.901 121.752 0.149 1
1 78 . 13 1 1 A 13 13 ALA H H 13 8.033 8.619 -0.586 1
1 79 . 13 1 1 A 13 13 ALA HA H 13 4.552 4.780 -0.228 1
1 83 . 13 1 1 A 13 13 ALA C C 13 174.997 174.251 0.746 1
1 84 . 13 1 1 A 13 13 ALA CA C 13 50.585 50.113 0.472 1
1 85 . 13 1 1 A 13 13 ALA CB C 13 18.488 21.783 -3.295 1
1 86 . 13 1 1 A 13 13 ALA N N 13 126.839 121.781 5.058 1
1 87 . 13 1 1 A 14 14 PRO HA H 14 4.390 4.648 -0.258 1
1 94 . 13 1 1 A 14 14 PRO C C 14 176.894 177.043 -0.149 1
1 95 . 13 1 1 A 14 14 PRO CA C 14 63.199 62.839 0.360 1
1 96 . 13 1 1 A 14 14 PRO CB C 14 32.210 32.519 -0.309 1
1 99 . 13 1 1 A 15 15 ARG H H 15 8.492 8.737 -0.245 1
1 100 . 13 1 1 A 15 15 ARG HA H 15 4.357 4.575 -0.218 1
1 104 . 13 1 1 A 15 15 ARG C C 15 176.040 175.527 0.513 1
1 105 . 13 1 1 A 15 15 ARG CA C 15 56.029 55.803 0.226 1
1 106 . 13 1 1 A 15 15 ARG CB C 15 31.097 30.111 0.986 1
1 108 . 13 1 1 A 15 15 ARG N N 15 121.148 121.579 -0.431 1
1 109 . 13 1 1 A 16 16 ALA H H 16 8.511 7.478 1.033 1
1 110 . 13 1 1 A 16 16 ALA HA H 16 4.352 4.198 0.154 1
1 114 . 13 1 1 A 16 16 ALA C C 16 177.569 177.342 0.227 1
1 115 . 13 1 1 A 16 16 ALA CA C 16 52.771 53.044 -0.273 1
1 116 . 13 1 1 A 16 16 ALA CB C 16 19.291 18.912 0.379 1
1 117 . 13 1 1 A 16 16 ALA N N 16 125.410 123.384 2.026 1
1 118 . 13 1 1 A 17 17 GLU H H 17 8.513 9.310 -0.797 1
1 119 . 13 1 1 A 17 17 GLU HA H 17 4.681 4.598 0.083 1
1 124 . 13 1 1 A 17 17 GLU C C 17 176.040 175.646 0.394 1
1 125 . 13 1 1 A 17 17 GLU CA C 17 56.240 55.944 0.296 1
1 126 . 13 1 1 A 17 17 GLU CB C 17 31.430 31.351 0.079 1
1 128 . 13 1 1 A 17 17 GLU N N 17 120.135 118.989 1.146 1
1 129 . 13 1 1 A 20 20 LYS HA H 20 4.642 4.565 0.077 1
1 132 . 13 1 1 A 20 20 LYS C C 20 174.395 174.176 0.219 1
1 133 . 13 1 1 A 20 20 LYS CA C 20 55.041 55.315 -0.274 1
1 134 . 13 1 1 A 20 20 LYS CB C 20 36.603 36.477 0.126 1
1 135 . 13 1 1 A 21 21 THR H H 21 8.278 8.261 0.017 1
1 136 . 13 1 1 A 21 21 THR HA H 21 5.185 4.668 0.517 1
1 141 . 13 1 1 A 21 21 THR C C 21 174.123 173.937 0.186 1
1 142 . 13 1 1 A 21 21 THR CA C 21 62.206 61.733 0.473 1
1 143 . 13 1 1 A 21 21 THR CB C 21 69.740 69.829 -0.089 1
1 145 . 13 1 1 A 21 21 THR N N 21 118.285 115.928 2.357 1
1 146 . 13 1 1 A 22 22 PHE H H 22 9.552 9.202 0.350 1
1 147 . 13 1 1 A 22 22 PHE HA H 22 4.934 5.073 -0.139 1
1 155 . 13 1 1 A 22 22 PHE CA C 22 57.809 55.736 2.073 1
1 156 . 13 1 1 A 22 22 PHE CB C 22 43.018 44.170 -1.152 1
1 162 . 13 1 1 A 22 22 PHE N N 22 125.884 120.999 4.885 1
1 163 . 13 1 1 A 23 23 SER H H 23 8.489 8.495 -0.006 1
1 164 . 13 1 1 A 23 23 SER HA H 23 4.874 5.034 -0.160 1
1 167 . 13 1 1 A 23 23 SER CA C 23 57.308 57.177 0.131 1
1 168 . 13 1 1 A 23 23 SER CB C 23 65.134 67.592 -2.458 1
1 169 . 13 1 1 A 23 23 SER N N 23 116.064 114.612 1.452 1
1 170 . 13 1 1 A 24 24 TYR H H 24 8.561 8.498 0.063 1
1 171 . 13 1 1 A 24 24 TYR HA H 24 3.787 4.796 -1.009 1
1 178 . 13 1 1 A 24 24 TYR CA C 24 55.942 55.467 0.475 1
1 179 . 13 1 1 A 24 24 TYR CB C 24 39.190 40.956 -1.766 1
1 184 . 13 1 1 A 24 24 TYR N N 24 120.614 118.977 1.637 1
1 185 . 13 1 1 A 25 25 PRO HA H 25 3.195 4.706 -1.511 1
1 192 . 13 1 1 A 25 25 PRO CA C 25 61.641 62.899 -1.258 1
1 193 . 13 1 1 A 25 25 PRO CB C 25 33.950 33.042 0.908 1
1 196 . 13 1 1 A 29 29 LEU HA H 29 4.651 5.037 -0.386 1
1 199 . 13 1 1 A 29 29 LEU C C 29 175.676 173.936 1.740 1
1 200 . 13 1 1 A 29 29 LEU CA C 29 54.443 53.561 0.882 1
1 201 . 13 1 1 A 29 29 LEU CB C 29 43.096 46.623 -3.527 1
1 204 . 13 1 1 A 30 30 LEU H H 30 8.665 8.801 -0.136 1
1 205 . 13 1 1 A 30 30 LEU HA H 30 5.369 5.340 0.029 1
1 212 . 13 1 1 A 30 30 LEU C C 30 176.370 175.027 1.343 1
1 213 . 13 1 1 A 30 30 LEU CA C 30 53.005 53.806 -0.801 1
1 214 . 13 1 1 A 30 30 LEU CB C 30 43.867 46.364 -2.497 1
1 217 . 13 1 1 A 30 30 LEU N N 30 126.293 125.377 0.916 1
1 218 . 13 1 1 A 31 31 LYS H H 31 9.288 8.949 0.339 1
1 219 . 13 1 1 A 31 31 LYS HA H 31 4.664 4.998 -0.334 1
1 228 . 13 1 1 A 31 31 LYS C C 31 173.995 174.546 -0.551 1
1 229 . 13 1 1 A 31 31 LYS CA C 31 54.758 54.413 0.345 1
1 230 . 13 1 1 A 31 31 LYS CB C 31 37.173 36.387 0.786 1
1 234 . 13 1 1 A 31 31 LYS N N 31 119.484 119.346 0.138 1
1 235 . 13 1 1 A 32 32 LEU H H 32 8.724 8.636 0.088 1
1 236 . 13 1 1 A 32 32 LEU HA H 32 4.972 5.053 -0.081 1
1 246 . 13 1 1 A 32 32 LEU C C 32 177.274 175.513 1.761 1
1 247 . 13 1 1 A 32 32 LEU CA C 32 54.494 53.735 0.759 1
1 248 . 13 1 1 A 32 32 LEU CB C 32 43.119 44.163 -1.044 1
1 252 . 13 1 1 A 32 32 LEU N N 32 124.082 124.020 0.062 1
1 253 . 13 1 1 A 33 33 HIS H H 33 9.361 9.235 0.126 1
1 254 . 13 1 1 A 33 33 HIS HA H 33 4.698 4.855 -0.157 1
1 257 . 13 1 1 A 33 33 HIS C C 33 174.092 173.904 0.188 1
1 258 . 13 1 1 A 33 33 HIS CA C 33 56.497 55.818 0.679 1
1 259 . 13 1 1 A 33 33 HIS CB C 33 32.274 33.868 -1.594 1
1 260 . 13 1 1 A 33 33 HIS N N 33 125.743 125.257 0.486 1
1 261 . 13 1 1 A 34 34 ASP H H 34 9.134 9.117 0.017 1
1 262 . 13 1 1 A 34 34 ASP HA H 34 4.146 3.990 0.156 1
1 265 . 13 1 1 A 34 34 ASP C C 34 174.644 175.094 -0.450 1
1 266 . 13 1 1 A 34 34 ASP CA C 34 55.976 54.949 1.027 1
1 267 . 13 1 1 A 34 34 ASP CB C 34 39.179 39.403 -0.224 1
1 268 . 13 1 1 A 34 34 ASP N N 34 128.890 126.758 2.132 1
1 269 . 13 1 1 A 35 35 GLU H H 35 8.648 8.533 0.115 1
1 270 . 13 1 1 A 35 35 GLU HA H 35 3.681 3.876 -0.195 1
1 275 . 13 1 1 A 35 35 GLU C C 35 174.234 175.147 -0.913 1
1 276 . 13 1 1 A 35 35 GLU CA C 35 57.346 58.070 -0.724 1
1 277 . 13 1 1 A 35 35 GLU CB C 35 27.735 27.931 -0.196 1
1 279 . 13 1 1 A 35 35 GLU N N 35 109.734 110.257 -0.523 1
1 280 . 13 1 1 A 36 36 ARG H H 36 7.710 7.699 0.011 1
1 281 . 13 1 1 A 36 36 ARG HA H 36 4.515 4.947 -0.432 1
1 285 . 13 1 1 A 36 36 ARG C C 36 174.063 174.994 -0.931 1
1 286 . 13 1 1 A 36 36 ARG CA C 36 54.212 54.185 0.027 1
1 287 . 13 1 1 A 36 36 ARG CB C 36 33.371 33.062 0.309 1
1 289 . 13 1 1 A 36 36 ARG N N 36 116.091 118.819 -2.728 1
1 290 . 13 1 1 A 37 37 VAL H H 37 8.803 8.287 0.516 1
1 291 . 13 1 1 A 37 37 VAL HA H 37 4.375 4.927 -0.552 1
1 299 . 13 1 1 A 37 37 VAL C C 37 174.388 175.037 -0.649 1
1 300 . 13 1 1 A 37 37 VAL CA C 37 62.620 61.514 1.106 1
1 301 . 13 1 1 A 37 37 VAL CB C 37 31.484 32.985 -1.501 1
1 304 . 13 1 1 A 37 37 VAL N N 37 122.430 121.256 1.174 1
1 305 . 13 1 1 A 38 38 LEU H H 38 8.966 9.305 -0.339 1
1 306 . 13 1 1 A 38 38 LEU HA H 38 5.495 5.362 0.133 1
1 316 . 13 1 1 A 38 38 LEU C C 38 177.365 176.064 1.301 1
1 317 . 13 1 1 A 38 38 LEU CA C 38 52.624 53.373 -0.749 1
1 318 . 13 1 1 A 38 38 LEU CB C 38 46.189 45.204 0.985 1
1 322 . 13 1 1 A 38 38 LEU N N 38 125.739 127.586 -1.847 1
1 323 . 13 1 1 A 39 39 VAL H H 39 8.899 9.097 -0.198 1
1 324 . 13 1 1 A 39 39 VAL HA H 39 4.006 3.829 0.177 1
1 332 . 13 1 1 A 39 39 VAL C C 39 176.380 176.098 0.282 1
1 333 . 13 1 1 A 39 39 VAL CA C 39 63.763 63.309 0.454 1
1 334 . 13 1 1 A 39 39 VAL CB C 39 31.629 30.626 1.003 1
1 337 . 13 1 1 A 39 39 VAL N N 39 119.125 122.774 -3.649 1
1 338 . 13 1 1 A 40 40 ALA H H 40 9.755 8.790 0.965 1
1 339 . 13 1 1 A 40 40 ALA HA H 40 4.533 4.287 0.246 1
1 343 . 13 1 1 A 40 40 ALA C C 40 176.636 177.459 -0.823 1
1 344 . 13 1 1 A 40 40 ALA CA C 40 52.536 53.795 -1.259 1
1 345 . 13 1 1 A 40 40 ALA CB C 40 20.860 19.938 0.922 1
1 346 . 13 1 1 A 40 40 ALA N N 40 133.618 130.527 3.091 1
1 347 . 13 1 1 A 41 41 PHE H H 41 7.761 7.537 0.224 1
1 348 . 13 1 1 A 41 41 PHE HA H 41 4.299 4.677 -0.378 1
1 353 . 13 1 1 A 41 41 PHE C C 41 172.990 173.777 -0.787 1
1 354 . 13 1 1 A 41 41 PHE CA C 41 59.306 56.736 2.570 1
1 355 . 13 1 1 A 41 41 PHE CB C 41 42.621 42.785 -0.164 1
1 358 . 13 1 1 A 41 41 PHE N N 41 117.497 117.450 0.047 1
1 359 . 13 1 1 A 42 42 GLY H H 42 7.709 7.912 -0.203 1
1 360 . 13 1 1 A 42 42 GLY HA2 H 42 4.190 4.023 0.167 1
1 361 . 13 1 1 A 42 42 GLY HA3 H 42 3.327 4.077 -0.750 1
1 362 . 13 1 1 A 42 42 GLY C C 42 171.542 171.862 -0.320 1
1 363 . 13 1 1 A 42 42 GLY CA C 42 44.310 45.568 -1.258 1
1 364 . 13 1 1 A 42 42 GLY N N 42 114.790 110.017 4.773 1
1 365 . 13 1 1 A 43 43 GLN HA H 43 4.366 4.940 -0.574 1
1 372 . 13 1 1 A 43 43 GLN CA C 43 55.207 54.256 0.951 1
1 373 . 13 1 1 A 43 43 GLN CB C 43 30.347 32.005 -1.658 1
1 376 . 13 1 1 A 49 49 VAL HA H 49 3.386 3.987 -0.601 1
1 384 . 13 1 1 A 49 49 VAL C C 49 177.680 176.379 1.301 1
1 385 . 13 1 1 A 49 49 VAL CA C 49 64.730 63.213 1.517 1
1 386 . 13 1 1 A 49 49 VAL CB C 49 31.489 31.441 0.048 1
1 389 . 13 1 1 A 50 50 GLY H H 50 9.040 9.017 0.023 1
1 390 . 13 1 1 A 50 50 GLY HA2 H 50 4.505 3.887 0.618 1
1 391 . 13 1 1 A 50 50 GLY HA3 H 50 3.562 3.929 -0.367 1
1 392 . 13 1 1 A 50 50 GLY C C 50 175.034 174.332 0.702 1
1 393 . 13 1 1 A 50 50 GLY CA C 50 44.901 45.064 -0.163 1
1 394 . 13 1 1 A 50 50 GLY N N 50 115.994 114.564 1.430 1
1 395 . 13 1 1 A 51 51 HIS H H 51 8.228 7.713 0.515 1
1 396 . 13 1 1 A 51 51 HIS HA H 51 4.614 4.299 0.315 1
1 400 . 13 1 1 A 51 51 HIS C C 51 174.681 175.080 -0.399 1
1 401 . 13 1 1 A 51 51 HIS CA C 51 57.434 56.864 0.570 1
1 402 . 13 1 1 A 51 51 HIS CB C 51 32.934 32.248 0.686 1
1 404 . 13 1 1 A 51 51 HIS N N 51 120.280 119.295 0.985 1
1 405 . 13 1 1 A 52 52 ALA H H 52 9.229 9.310 -0.081 1
1 406 . 13 1 1 A 52 52 ALA HA H 52 5.587 5.127 0.460 1
1 410 . 13 1 1 A 52 52 ALA C C 52 177.988 176.323 1.665 1
1 411 . 13 1 1 A 52 52 ALA CA C 52 50.053 50.126 -0.073 1
1 412 . 13 1 1 A 52 52 ALA CB C 52 22.023 21.421 0.602 1
1 413 . 13 1 1 A 52 52 ALA N N 52 121.598 123.477 -1.879 1
1 414 . 13 1 1 A 53 53 VAL HA H 53 3.473 4.191 -0.718 1
1 422 . 13 1 1 A 53 53 VAL C C 53 175.227 175.576 -0.349 1
1 423 . 13 1 1 A 53 53 VAL CA C 53 63.914 62.883 1.031 1
1 424 . 13 1 1 A 53 53 VAL CB C 53 32.339 32.392 -0.053 1
1 427 . 13 1 1 A 54 54 LEU H H 54 9.067 9.297 -0.230 1
1 428 . 13 1 1 A 54 54 LEU HA H 54 4.599 4.627 -0.028 1
1 434 . 13 1 1 A 54 54 LEU C C 54 178.208 176.830 1.378 1
1 435 . 13 1 1 A 54 54 LEU CA C 54 55.084 55.837 -0.753 1
1 436 . 13 1 1 A 54 54 LEU CB C 54 43.490 44.153 -0.663 1
1 439 . 13 1 1 A 54 54 LEU N N 54 126.184 128.591 -2.407 1
1 440 . 13 1 1 A 55 55 ALA H H 55 7.665 7.675 -0.010 1
1 441 . 13 1 1 A 55 55 ALA HA H 55 4.889 4.928 -0.039 1
1 445 . 13 1 1 A 55 55 ALA C C 55 175.085 175.314 -0.229 1
1 446 . 13 1 1 A 55 55 ALA CA C 55 52.600 51.635 0.965 1
1 447 . 13 1 1 A 55 55 ALA CB C 55 21.847 22.928 -1.081 1
1 448 . 13 1 1 A 55 55 ALA N N 55 119.807 116.602 3.205 1
1 449 . 13 1 1 A 56 56 ILE H H 56 8.209 8.878 -0.669 1
1 450 . 13 1 1 A 56 56 ILE HA H 56 4.643 4.804 -0.161 1
1 460 . 13 1 1 A 56 56 ILE C C 56 176.001 175.880 0.121 1
1 461 . 13 1 1 A 56 56 ILE CA C 56 59.817 59.871 -0.054 1
1 462 . 13 1 1 A 56 56 ILE CB C 56 41.035 40.892 0.143 1
1 466 . 13 1 1 A 56 56 ILE N N 56 119.114 118.740 0.374 1
1 467 . 13 1 1 A 57 57 ASN H H 57 10.090 9.813 0.277 1
1 468 . 13 1 1 A 57 57 ASN HA H 57 4.523 4.526 -0.003 1
1 473 . 13 1 1 A 57 57 ASN C C 57 175.371 175.553 -0.182 1
1 474 . 13 1 1 A 57 57 ASN CA C 57 54.161 54.583 -0.422 1
1 475 . 13 1 1 A 57 57 ASN CB C 57 36.953 37.059 -0.106 1
1 476 . 13 1 1 A 57 57 ASN N N 57 128.487 126.889 1.598 1
1 478 . 13 1 1 A 58 58 GLY H H 58 9.200 8.687 0.513 1
1 479 . 13 1 1 A 58 58 GLY HA2 H 58 4.080 3.875 0.205 1
1 480 . 13 1 1 A 58 58 GLY HA3 H 58 3.513 3.877 -0.364 1
1 481 . 13 1 1 A 58 58 GLY C C 58 174.149 173.669 0.480 1
1 482 . 13 1 1 A 58 58 GLY CA C 58 45.464 45.598 -0.134 1
1 483 . 13 1 1 A 58 58 GLY N N 58 103.720 104.578 -0.858 1
1 484 . 13 1 1 A 59 59 MET H H 59 7.852 8.096 -0.244 1
1 485 . 13 1 1 A 59 59 MET HA H 59 4.801 5.091 -0.290 1
1 490 . 13 1 1 A 59 59 MET C C 59 175.661 174.465 1.196 1
1 491 . 13 1 1 A 59 59 MET CA C 59 53.528 53.419 0.109 1
1 492 . 13 1 1 A 59 59 MET CB C 59 33.623 35.035 -1.412 1
1 494 . 13 1 1 A 59 59 MET N N 59 120.479 116.383 4.096 1
1 495 . 13 1 1 A 60 60 ASP H H 60 8.931 8.767 0.164 1
1 496 . 13 1 1 A 60 60 ASP HA H 60 4.696 4.751 -0.055 1
1 499 . 13 1 1 A 60 60 ASP C C 60 176.608 176.059 0.549 1
1 500 . 13 1 1 A 60 60 ASP CA C 60 55.789 54.647 1.142 1
1 501 . 13 1 1 A 60 60 ASP CB C 60 40.793 41.574 -0.781 1
1 502 . 13 1 1 A 60 60 ASP N N 60 127.746 124.817 2.929 1
1 503 . 13 1 1 A 61 61 VAL H H 61 7.734 8.908 -1.174 1
1 504 . 13 1 1 A 61 61 VAL HA H 61 4.216 4.888 -0.672 1
1 512 . 13 1 1 A 61 61 VAL C C 61 174.993 174.375 0.618 1
1 513 . 13 1 1 A 61 61 VAL CA C 61 60.816 60.105 0.711 1
1 514 . 13 1 1 A 61 61 VAL CB C 61 32.006 34.547 -2.541 1
1 517 . 13 1 1 A 61 61 VAL N N 61 117.791 119.511 -1.720 1
1 518 . 13 1 1 A 62 62 ASN H H 62 9.011 8.962 0.049 1
1 519 . 13 1 1 A 62 62 ASN HA H 62 5.044 4.931 0.113 1
1 524 . 13 1 1 A 62 62 ASN C C 62 175.375 175.792 -0.417 1
1 525 . 13 1 1 A 62 62 ASN CA C 62 51.604 52.261 -0.657 1
1 526 . 13 1 1 A 62 62 ASN CB C 62 39.209 37.550 1.659 1
1 527 . 13 1 1 A 62 62 ASN N N 62 124.361 124.312 0.049 1
1 529 . 13 1 1 A 63 63 GLY H H 63 8.699 8.817 -0.118 1
1 530 . 13 1 1 A 63 63 GLY HA2 H 63 4.267 3.928 0.339 1
1 531 . 13 1 1 A 63 63 GLY HA3 H 63 3.760 3.944 -0.184 1
1 532 . 13 1 1 A 63 63 GLY C C 63 173.666 174.348 -0.682 1
1 533 . 13 1 1 A 63 63 GLY CA C 63 47.919 46.711 1.208 1
1 534 . 13 1 1 A 63 63 GLY N N 63 113.974 114.831 -0.857 1
1 535 . 13 1 1 A 64 64 ARG H H 64 8.595 8.374 0.221 1
1 536 . 13 1 1 A 64 64 ARG HA H 64 4.144 4.461 -0.317 1
1 544 . 13 1 1 A 64 64 ARG C C 64 175.001 174.951 0.050 1
1 545 . 13 1 1 A 64 64 ARG CA C 64 55.449 55.484 -0.035 1
1 546 . 13 1 1 A 64 64 ARG CB C 64 31.649 31.350 0.299 1
1 549 . 13 1 1 A 64 64 ARG N N 64 124.516 119.744 4.772 1
1 551 . 13 1 1 A 65 65 TYR H H 65 7.959 7.660 0.299 1
1 552 . 13 1 1 A 65 65 TYR HA H 65 5.515 5.406 0.109 1
1 559 . 13 1 1 A 65 65 TYR C C 65 176.353 175.944 0.409 1
1 560 . 13 1 1 A 65 65 TYR CA C 65 57.143 56.504 0.639 1
1 561 . 13 1 1 A 65 65 TYR CB C 65 42.338 41.842 0.496 1
1 566 . 13 1 1 A 65 65 TYR N N 65 119.872 119.257 0.615 1
1 567 . 13 1 1 A 66 66 THR H H 66 9.651 9.082 0.569 1
1 568 . 13 1 1 A 66 66 THR HA H 66 4.418 4.492 -0.074 1
1 573 . 13 1 1 A 66 66 THR C C 66 177.773 175.944 1.829 1
1 574 . 13 1 1 A 66 66 THR CA C 66 61.270 61.136 0.134 1
1 575 . 13 1 1 A 66 66 THR CB C 66 71.305 70.669 0.636 1
1 577 . 13 1 1 A 66 66 THR N N 66 111.062 115.313 -4.251 1
1 578 . 13 1 1 A 67 67 ALA H H 67 9.388 9.012 0.376 1
1 579 . 13 1 1 A 67 67 ALA HA H 67 4.109 3.999 0.110 1
1 583 . 13 1 1 A 67 67 ALA C C 67 177.993 179.454 -1.461 1
1 584 . 13 1 1 A 67 67 ALA CA C 67 55.247 55.375 -0.128 1
1 585 . 13 1 1 A 67 67 ALA CB C 67 18.955 18.260 0.695 1
1 586 . 13 1 1 A 67 67 ALA N N 67 125.051 124.367 0.684 1
1 587 . 13 1 1 A 68 68 ASP H H 68 7.980 7.859 0.121 1
1 588 . 13 1 1 A 68 68 ASP HA H 68 4.674 4.584 0.090 1
1 591 . 13 1 1 A 68 68 ASP C C 68 176.691 176.148 0.543 1
1 592 . 13 1 1 A 68 68 ASP CA C 68 52.824 54.783 -1.959 1
1 593 . 13 1 1 A 68 68 ASP CB C 68 39.776 41.312 -1.536 1
1 594 . 13 1 1 A 68 68 ASP N N 68 111.027 116.825 -5.798 1
1 595 . 13 1 1 A 69 69 GLY H H 69 8.052 7.848 0.204 1
1 596 . 13 1 1 A 69 69 GLY HA2 H 69 4.154 4.077 0.077 1
1 597 . 13 1 1 A 69 69 GLY HA3 H 69 3.569 4.113 -0.544 1
1 598 . 13 1 1 A 69 69 GLY C C 69 174.525 174.587 -0.062 1
1 599 . 13 1 1 A 69 69 GLY CA C 69 46.273 44.924 1.349 1
1 600 . 13 1 1 A 69 69 GLY N N 69 107.666 107.532 0.134 1
1 601 . 13 1 1 A 70 70 LYS H H 70 7.816 7.502 0.314 1
1 602 . 13 1 1 A 70 70 LYS HA H 70 4.639 4.323 0.316 1
1 611 . 13 1 1 A 70 70 LYS C C 70 176.713 175.896 0.817 1
1 612 . 13 1 1 A 70 70 LYS CA C 70 54.753 56.673 -1.920 1
1 613 . 13 1 1 A 70 70 LYS CB C 70 32.589 33.554 -0.965 1
1 617 . 13 1 1 A 70 70 LYS N N 70 120.047 120.553 -0.506 1
1 618 . 13 1 1 A 71 71 GLU H H 71 9.375 8.699 0.676 1
1 619 . 13 1 1 A 71 71 GLU HA H 71 4.366 4.194 0.172 1
1 624 . 13 1 1 A 71 71 GLU C C 71 177.910 177.744 0.166 1
1 625 . 13 1 1 A 71 71 GLU CA C 71 58.297 56.908 1.389 1
1 626 . 13 1 1 A 71 71 GLU CB C 71 29.572 29.719 -0.147 1
1 628 . 13 1 1 A 71 71 GLU N N 71 124.416 121.808 2.608 1
1 629 . 13 1 1 A 72 72 VAL H H 72 9.028 8.800 0.228 1
1 630 . 13 1 1 A 72 72 VAL HA H 72 3.258 3.704 -0.446 1
1 638 . 13 1 1 A 72 72 VAL C C 72 177.159 177.149 0.010 1
1 639 . 13 1 1 A 72 72 VAL CA C 72 67.561 66.876 0.685 1
1 640 . 13 1 1 A 72 72 VAL CB C 72 31.962 31.777 0.185 1
1 643 . 13 1 1 A 72 72 VAL N N 72 128.216 123.718 4.498 1
1 644 . 13 1 1 A 73 73 LEU H H 73 9.223 8.163 1.060 1
1 645 . 13 1 1 A 73 73 LEU HA H 73 3.972 3.886 0.086 1
1 655 . 13 1 1 A 73 73 LEU C C 73 180.513 179.464 1.049 1
1 656 . 13 1 1 A 73 73 LEU CA C 73 58.658 58.119 0.539 1
1 657 . 13 1 1 A 73 73 LEU CB C 73 40.458 40.856 -0.398 1
1 661 . 13 1 1 A 73 73 LEU N N 73 117.712 119.053 -1.341 1
1 662 . 13 1 1 A 74 74 GLU H H 74 7.456 8.208 -0.752 1
1 663 . 13 1 1 A 74 74 GLU HA H 74 4.133 3.965 0.168 1
1 668 . 13 1 1 A 74 74 GLU C C 74 179.695 178.640 1.055 1
1 669 . 13 1 1 A 74 74 GLU CA C 74 59.092 59.510 -0.418 1
1 670 . 13 1 1 A 74 74 GLU CB C 74 29.845 29.283 0.562 1
1 672 . 13 1 1 A 74 74 GLU N N 74 119.823 120.511 -0.688 1
1 673 . 13 1 1 A 75 75 TYR H H 75 8.706 8.516 0.190 1
1 674 . 13 1 1 A 75 75 TYR HA H 75 4.047 4.171 -0.124 1
1 681 . 13 1 1 A 75 75 TYR C C 75 179.408 176.768 2.640 1
1 682 . 13 1 1 A 75 75 TYR CA C 75 62.106 61.583 0.523 1
1 683 . 13 1 1 A 75 75 TYR CB C 75 39.275 38.945 0.330 1
1 688 . 13 1 1 A 75 75 TYR N N 75 123.223 121.091 2.132 1
1 689 . 13 1 1 A 76 76 LEU H H 76 8.586 8.654 -0.068 1
1 690 . 13 1 1 A 76 76 LEU HA H 76 4.458 3.961 0.497 1
1 700 . 13 1 1 A 76 76 LEU C C 76 178.328 179.474 -1.146 1
1 701 . 13 1 1 A 76 76 LEU CA C 76 55.395 57.870 -2.475 1
1 702 . 13 1 1 A 76 76 LEU CB C 76 41.315 41.684 -0.369 1
1 706 . 13 1 1 A 76 76 LEU N N 76 113.641 119.282 -5.641 1
1 707 . 13 1 1 A 77 77 GLY H H 77 7.868 8.058 -0.190 1
1 708 . 13 1 1 A 77 77 GLY HA2 H 77 4.541 3.884 0.657 1
1 709 . 13 1 1 A 77 77 GLY HA3 H 77 3.946 3.893 0.053 1
1 710 . 13 1 1 A 77 77 GLY C C 77 172.507 174.653 -2.146 1
1 711 . 13 1 1 A 77 77 GLY CA C 77 45.274 46.576 -1.302 1
1 712 . 13 1 1 A 77 77 GLY N N 77 108.897 106.549 2.348 1
1 713 . 13 1 1 A 78 78 ASN H H 78 7.108 7.625 -0.517 1
1 714 . 13 1 1 A 78 78 ASN HA H 78 5.208 4.823 0.385 1
1 719 . 13 1 1 A 78 78 ASN C C 78 174.475 175.352 -0.877 1
1 720 . 13 1 1 A 78 78 ASN CA C 78 49.514 51.083 -1.569 1
1 721 . 13 1 1 A 78 78 ASN CB C 78 39.531 39.557 -0.026 1
1 722 . 13 1 1 A 78 78 ASN N N 78 119.451 119.640 -0.189 1
1 724 . 13 1 1 A 79 79 PRO HA H 79 3.589 3.794 -0.205 1
1 731 . 13 1 1 A 79 79 PRO C C 79 177.877 177.005 0.872 1
1 732 . 13 1 1 A 79 79 PRO CA C 79 64.697 63.708 0.989 1
1 733 . 13 1 1 A 79 79 PRO CB C 79 30.935 31.255 -0.320 1
1 736 . 13 1 1 A 80 80 ALA H H 80 7.842 8.125 -0.283 1
1 737 . 13 1 1 A 80 80 ALA HA H 80 4.197 4.111 0.086 1
1 741 . 13 1 1 A 80 80 ALA C C 80 178.566 177.562 1.004 1
1 742 . 13 1 1 A 80 80 ALA CA C 80 53.801 53.961 -0.160 1
1 743 . 13 1 1 A 80 80 ALA CB C 80 18.366 18.311 0.055 1
1 744 . 13 1 1 A 80 80 ALA N N 80 119.231 119.835 -0.604 1
1 745 . 13 1 1 A 81 81 ASN H H 81 7.714 8.034 -0.320 1
1 746 . 13 1 1 A 81 81 ASN HA H 81 4.662 5.033 -0.371 1
1 751 . 13 1 1 A 81 81 ASN C C 81 172.714 175.740 -3.026 1
1 752 . 13 1 1 A 81 81 ASN CA C 81 52.960 51.907 1.053 1
1 753 . 13 1 1 A 81 81 ASN CB C 81 37.946 39.282 -1.336 1
1 754 . 13 1 1 A 81 81 ASN N N 81 113.680 116.553 -2.873 1
1 756 . 13 1 1 A 82 82 TYR H H 82 7.299 7.714 -0.415 1
1 757 . 13 1 1 A 82 82 TYR HA H 82 4.283 4.612 -0.329 1
1 763 . 13 1 1 A 82 82 TYR C C 82 174.383 176.366 -1.983 1
1 764 . 13 1 1 A 82 82 TYR CA C 82 57.061 60.949 -3.888 1
1 765 . 13 1 1 A 82 82 TYR CB C 82 39.447 37.640 1.807 1
1 770 . 13 1 1 A 82 82 TYR N N 82 118.625 121.077 -2.452 1
1 771 . 13 1 1 A 83 83 PRO HA H 83 4.381 4.790 -0.409 1
1 778 . 13 1 1 A 83 83 PRO CA C 83 62.946 62.974 -0.028 1
1 779 . 13 1 1 A 83 83 PRO CB C 83 32.088 31.809 0.279 1
1 782 . 13 1 1 A 84 84 VAL HA H 84 4.956 5.113 -0.157 1
1 790 . 13 1 1 A 84 84 VAL CA C 84 59.200 59.556 -0.356 1
1 791 . 13 1 1 A 84 84 VAL CB C 84 35.235 36.507 -1.272 1
1 794 . 13 1 1 A 85 85 SER H H 85 8.491 8.649 -0.158 1
1 795 . 13 1 1 A 85 85 SER HA H 85 5.655 5.570 0.085 1
1 798 . 13 1 1 A 85 85 SER C C 85 174.729 173.349 1.380 1
1 799 . 13 1 1 A 85 85 SER CA C 85 56.679 57.209 -0.530 1
1 800 . 13 1 1 A 85 85 SER CB C 85 64.021 65.740 -1.719 1
1 801 . 13 1 1 A 85 85 SER N N 85 121.531 117.080 4.451 1
1 802 . 13 1 1 A 86 86 ILE H H 86 9.318 9.133 0.185 1
1 803 . 13 1 1 A 86 86 ILE HA H 86 4.803 5.110 -0.307 1
1 813 . 13 1 1 A 86 86 ILE C C 86 173.918 174.904 -0.986 1
1 814 . 13 1 1 A 86 86 ILE CA C 86 60.802 60.159 0.643 1
1 815 . 13 1 1 A 86 86 ILE CB C 86 41.352 42.516 -1.164 1
1 819 . 13 1 1 A 86 86 ILE N N 86 126.689 123.365 3.324 1
1 820 . 13 1 1 A 88 88 PHE HA H 88 5.866 5.538 0.328 1
1 826 . 13 1 1 A 88 88 PHE C C 88 175.891 174.126 1.765 1
1 827 . 13 1 1 A 88 88 PHE CA C 88 56.349 55.724 0.625 1
1 828 . 13 1 1 A 88 88 PHE CB C 88 44.020 42.862 1.158 1
1 832 . 13 1 1 A 89 89 GLY H H 89 8.913 8.779 0.134 1
1 833 . 13 1 1 A 89 89 GLY HA2 H 89 4.090 4.242 -0.152 1
1 834 . 13 1 1 A 89 89 GLY HA3 H 89 4.090 4.300 -0.210 1
1 835 . 13 1 1 A 89 89 GLY C C 89 171.617 172.019 -0.402 1
1 836 . 13 1 1 A 89 89 GLY CA C 89 45.684 46.229 -0.545 1
1 837 . 13 1 1 A 89 89 GLY N N 89 105.946 106.127 -0.181 1
1 838 . 13 1 1 A 90 90 ARG H H 90 8.880 8.514 0.366 1
1 839 . 13 1 1 A 90 90 ARG HA H 90 4.628 4.648 -0.020 1
1 846 . 13 1 1 A 90 90 ARG CA C 90 54.341 54.782 -0.441 1
1 847 . 13 1 1 A 90 90 ARG CB C 90 30.326 29.602 0.724 1
1 850 . 13 1 1 A 90 90 ARG N N 90 123.099 121.882 1.217 1
1 851 . 13 1 1 A 91 91 PRO HA H 91 4.390 4.617 -0.227 1
1 858 . 13 1 1 A 91 91 PRO CA C 91 62.994 62.812 0.182 1
1 859 . 13 1 1 A 91 91 PRO CB C 91 32.136 32.576 -0.440 1
1 862 . 13 1 1 A 92 92 ARG H H 92 8.506 9.133 -0.627 1
1 863 . 13 1 1 A 92 92 ARG HA H 92 4.321 4.223 0.098 1
1 867 . 13 1 1 A 92 92 ARG C C 92 176.279 175.996 0.283 1
1 868 . 13 1 1 A 92 92 ARG CA C 92 56.320 57.511 -1.191 1
1 869 . 13 1 1 A 92 92 ARG CB C 92 30.937 30.666 0.271 1
1 871 . 13 1 1 A 92 92 ARG N N 92 121.873 120.278 1.595 1
1 872 . 13 1 1 A 93 93 LEU H H 93 8.537 7.551 0.986 1
1 873 . 13 1 1 A 93 93 LEU HA H 93 4.479 4.608 -0.129 1
1 876 . 13 1 1 A 93 93 LEU C C 93 177.444 176.838 0.606 1
1 877 . 13 1 1 A 93 93 LEU CA C 93 55.187 53.099 2.088 1
1 878 . 13 1 1 A 93 93 LEU CB C 93 42.551 45.109 -2.558 1
1 879 . 13 1 1 A 93 93 LEU N N 93 124.440 119.481 4.959 1
1 880 . 13 1 1 A 94 94 THR H H 94 8.183 8.429 -0.246 1
1 881 . 13 1 1 A 94 94 THR HA H 94 4.444 3.974 0.470 1
1 886 . 13 1 1 A 94 94 THR C C 94 174.383 175.219 -0.836 1
1 887 . 13 1 1 A 94 94 THR CA C 94 61.515 64.805 -3.290 1
1 888 . 13 1 1 A 94 94 THR CB C 94 70.080 68.336 1.744 1
1 890 . 13 1 1 A 94 94 THR N N 94 114.261 115.964 -1.703 1
1 891 . 13 1 1 A 95 95 SER H H 95 8.394 7.721 0.673 1
1 892 . 13 1 1 A 95 95 SER HA H 95 4.502 4.231 0.271 1
1 895 . 13 1 1 A 95 95 SER C C 95 173.465 174.442 -0.977 1
1 896 . 13 1 1 A 95 95 SER CA C 95 58.383 60.661 -2.278 1
1 897 . 13 1 1 A 95 95 SER CB C 95 64.103 63.761 0.342 1
1 898 . 13 1 1 A 95 95 SER N N 95 117.878 119.767 -1.889 1
1 1 . 14 1 1 A 2 2 GLY H H 2 8.575 8.011 0.564 1
1 2 . 14 1 1 A 2 2 GLY HA3 H 2 3.941 4.181 -0.240 1
1 3 . 14 1 1 A 2 2 GLY CA C 2 45.109 45.543 -0.434 1
1 4 . 14 1 1 A 2 2 GLY N N 2 110.363 112.596 -2.233 1
1 5 . 14 1 1 A 3 3 HIS H H 3 8.398 8.655 -0.257 1
1 7 . 14 1 1 A 3 3 HIS CA C 3 55.958 58.134 -2.176 1
1 8 . 14 1 1 A 3 3 HIS CB C 3 29.588 28.855 0.733 1
1 9 . 14 1 1 A 3 3 HIS N N 3 118.248 117.699 0.549 1
1 10 . 14 1 1 A 6 6 HIS HA H 6 4.637 4.329 0.308 1
1 12 . 14 1 1 A 6 6 HIS CA C 6 55.805 57.840 -2.035 1
1 13 . 14 1 1 A 6 6 HIS CB C 6 29.866 29.718 0.148 1
1 14 . 14 1 1 A 7 7 HIS H H 7 8.775 7.113 1.662 1
1 15 . 14 1 1 A 7 7 HIS HA H 7 4.639 5.062 -0.423 1
1 18 . 14 1 1 A 7 7 HIS CA C 7 55.959 53.889 2.070 1
1 19 . 14 1 1 A 7 7 HIS CB C 7 29.834 32.396 -2.562 1
1 20 . 14 1 1 A 7 7 HIS N N 7 120.965 114.560 6.405 1
1 21 . 14 1 1 A 8 8 HIS H H 8 8.591 8.594 -0.003 1
1 22 . 14 1 1 A 8 8 HIS HA H 8 4.447 4.612 -0.165 1
1 25 . 14 1 1 A 8 8 HIS CA C 8 56.009 55.717 0.292 1
1 26 . 14 1 1 A 8 8 HIS CB C 8 32.890 30.733 2.157 1
1 27 . 14 1 1 A 8 8 HIS N N 8 122.251 118.332 3.919 1
1 28 . 14 1 1 A 9 9 LEU H H 9 8.430 8.682 -0.252 1
1 29 . 14 1 1 A 9 9 LEU HA H 9 4.359 4.476 -0.117 1
1 39 . 14 1 1 A 9 9 LEU C C 9 177.241 175.479 1.762 1
1 40 . 14 1 1 A 9 9 LEU CA C 9 55.395 53.850 1.545 1
1 41 . 14 1 1 A 9 9 LEU CB C 9 42.317 40.846 1.471 1
1 45 . 14 1 1 A 9 9 LEU N N 9 123.074 123.625 -0.551 1
1 46 . 14 1 1 A 10 10 ASP H H 10 8.358 8.760 -0.402 1
1 47 . 14 1 1 A 10 10 ASP HA H 10 4.606 4.466 0.140 1
1 50 . 14 1 1 A 10 10 ASP C C 10 176.490 177.375 -0.885 1
1 51 . 14 1 1 A 10 10 ASP CA C 10 54.541 54.684 -0.143 1
1 52 . 14 1 1 A 10 10 ASP CB C 10 41.244 43.009 -1.765 1
1 53 . 14 1 1 A 10 10 ASP N N 10 121.299 127.078 -5.779 1
1 54 . 14 1 1 A 11 11 SER H H 11 8.212 8.649 -0.437 1
1 55 . 14 1 1 A 11 11 SER HA H 11 4.367 4.317 0.050 1
1 58 . 14 1 1 A 11 11 SER C C 11 174.210 174.602 -0.392 1
1 59 . 14 1 1 A 11 11 SER CA C 11 58.750 61.942 -3.192 1
1 60 . 14 1 1 A 11 11 SER CB C 11 63.743 63.326 0.417 1
1 61 . 14 1 1 A 11 11 SER N N 11 115.863 117.289 -1.426 1
1 62 . 14 1 1 A 12 12 TYR H H 12 8.207 7.894 0.313 1
1 63 . 14 1 1 A 12 12 TYR HA H 12 4.562 4.547 0.015 1
1 70 . 14 1 1 A 12 12 TYR C C 12 175.105 175.329 -0.224 1
1 71 . 14 1 1 A 12 12 TYR CA C 12 57.994 59.546 -1.552 1
1 72 . 14 1 1 A 12 12 TYR CB C 12 38.821 39.553 -0.732 1
1 77 . 14 1 1 A 12 12 TYR N N 12 121.901 121.780 0.121 1
1 78 . 14 1 1 A 13 13 ALA H H 13 8.033 8.450 -0.417 1
1 79 . 14 1 1 A 13 13 ALA HA H 13 4.552 4.607 -0.055 1
1 83 . 14 1 1 A 13 13 ALA C C 13 174.997 176.580 -1.583 1
1 84 . 14 1 1 A 13 13 ALA CA C 13 50.585 50.236 0.349 1
1 85 . 14 1 1 A 13 13 ALA CB C 13 18.488 21.602 -3.114 1
1 86 . 14 1 1 A 13 13 ALA N N 13 126.839 129.158 -2.319 1
1 87 . 14 1 1 A 14 14 PRO HA H 14 4.390 4.420 -0.030 1
1 94 . 14 1 1 A 14 14 PRO C C 14 176.894 176.490 0.404 1
1 95 . 14 1 1 A 14 14 PRO CA C 14 63.199 64.758 -1.559 1
1 96 . 14 1 1 A 14 14 PRO CB C 14 32.210 31.983 0.227 1
1 99 . 14 1 1 A 15 15 ARG H H 15 8.492 7.541 0.951 1
1 100 . 14 1 1 A 15 15 ARG HA H 15 4.357 4.762 -0.405 1
1 104 . 14 1 1 A 15 15 ARG C C 15 176.040 174.411 1.629 1
1 105 . 14 1 1 A 15 15 ARG CA C 15 56.029 55.335 0.694 1
1 106 . 14 1 1 A 15 15 ARG CB C 15 31.097 33.624 -2.527 1
1 108 . 14 1 1 A 15 15 ARG N N 15 121.148 116.772 4.376 1
1 109 . 14 1 1 A 16 16 ALA H H 16 8.511 8.455 0.056 1
1 110 . 14 1 1 A 16 16 ALA HA H 16 4.352 4.768 -0.416 1
1 114 . 14 1 1 A 16 16 ALA C C 16 177.569 176.412 1.157 1
1 115 . 14 1 1 A 16 16 ALA CA C 16 52.771 51.297 1.474 1
1 116 . 14 1 1 A 16 16 ALA CB C 16 19.291 20.124 -0.833 1
1 117 . 14 1 1 A 16 16 ALA N N 16 125.410 127.501 -2.091 1
1 118 . 14 1 1 A 17 17 GLU H H 17 8.513 7.830 0.683 1
1 119 . 14 1 1 A 17 17 GLU HA H 17 4.681 5.041 -0.360 1
1 124 . 14 1 1 A 17 17 GLU C C 17 176.040 175.110 0.930 1
1 125 . 14 1 1 A 17 17 GLU CA C 17 56.240 54.654 1.586 1
1 126 . 14 1 1 A 17 17 GLU CB C 17 31.430 34.052 -2.622 1
1 128 . 14 1 1 A 17 17 GLU N N 17 120.135 116.608 3.527 1
1 129 . 14 1 1 A 20 20 LYS HA H 20 4.642 4.654 -0.012 1
1 132 . 14 1 1 A 20 20 LYS C C 20 174.395 174.369 0.026 1
1 133 . 14 1 1 A 20 20 LYS CA C 20 55.041 55.311 -0.270 1
1 134 . 14 1 1 A 20 20 LYS CB C 20 36.603 36.296 0.307 1
1 135 . 14 1 1 A 21 21 THR H H 21 8.278 8.391 -0.113 1
1 136 . 14 1 1 A 21 21 THR HA H 21 5.185 5.319 -0.134 1
1 141 . 14 1 1 A 21 21 THR C C 21 174.123 173.103 1.020 1
1 142 . 14 1 1 A 21 21 THR CA C 21 62.206 59.144 3.062 1
1 143 . 14 1 1 A 21 21 THR CB C 21 69.740 71.543 -1.803 1
1 145 . 14 1 1 A 21 21 THR N N 21 118.285 112.334 5.951 1
1 146 . 14 1 1 A 22 22 PHE H H 22 9.552 9.009 0.543 1
1 147 . 14 1 1 A 22 22 PHE HA H 22 4.934 5.075 -0.141 1
1 155 . 14 1 1 A 22 22 PHE CA C 22 57.809 55.709 2.100 1
1 156 . 14 1 1 A 22 22 PHE CB C 22 43.018 44.061 -1.043 1
1 162 . 14 1 1 A 22 22 PHE N N 22 125.884 119.950 5.934 1
1 163 . 14 1 1 A 23 23 SER H H 23 8.489 8.566 -0.077 1
1 164 . 14 1 1 A 23 23 SER HA H 23 4.874 4.923 -0.049 1
1 167 . 14 1 1 A 23 23 SER CA C 23 57.308 57.175 0.133 1
1 168 . 14 1 1 A 23 23 SER CB C 23 65.134 67.567 -2.433 1
1 169 . 14 1 1 A 23 23 SER N N 23 116.064 114.545 1.519 1
1 170 . 14 1 1 A 24 24 TYR H H 24 8.561 8.141 0.420 1
1 171 . 14 1 1 A 24 24 TYR HA H 24 3.787 4.759 -0.972 1
1 178 . 14 1 1 A 24 24 TYR CA C 24 55.942 55.586 0.356 1
1 179 . 14 1 1 A 24 24 TYR CB C 24 39.190 41.420 -2.230 1
1 184 . 14 1 1 A 24 24 TYR N N 24 120.614 118.564 2.050 1
1 185 . 14 1 1 A 25 25 PRO HA H 25 3.195 4.519 -1.324 1
1 192 . 14 1 1 A 25 25 PRO CA C 25 61.641 63.705 -2.064 1
1 193 . 14 1 1 A 25 25 PRO CB C 25 33.950 32.551 1.399 1
1 196 . 14 1 1 A 29 29 LEU HA H 29 4.651 4.914 -0.263 1
1 199 . 14 1 1 A 29 29 LEU C C 29 175.676 173.916 1.760 1
1 200 . 14 1 1 A 29 29 LEU CA C 29 54.443 54.296 0.147 1
1 201 . 14 1 1 A 29 29 LEU CB C 29 43.096 46.171 -3.075 1
1 204 . 14 1 1 A 30 30 LEU H H 30 8.665 8.931 -0.266 1
1 205 . 14 1 1 A 30 30 LEU HA H 30 5.369 5.308 0.061 1
1 212 . 14 1 1 A 30 30 LEU C C 30 176.370 174.901 1.469 1
1 213 . 14 1 1 A 30 30 LEU CA C 30 53.005 53.803 -0.798 1
1 214 . 14 1 1 A 30 30 LEU CB C 30 43.867 46.212 -2.345 1
1 217 . 14 1 1 A 30 30 LEU N N 30 126.293 126.424 -0.131 1
1 218 . 14 1 1 A 31 31 LYS H H 31 9.288 9.091 0.197 1
1 219 . 14 1 1 A 31 31 LYS HA H 31 4.664 5.045 -0.381 1
1 228 . 14 1 1 A 31 31 LYS C C 31 173.995 174.658 -0.663 1
1 229 . 14 1 1 A 31 31 LYS CA C 31 54.758 54.437 0.321 1
1 230 . 14 1 1 A 31 31 LYS CB C 31 37.173 36.146 1.027 1
1 234 . 14 1 1 A 31 31 LYS N N 31 119.484 119.943 -0.459 1
1 235 . 14 1 1 A 32 32 LEU H H 32 8.724 8.470 0.254 1
1 236 . 14 1 1 A 32 32 LEU HA H 32 4.972 4.669 0.303 1
1 246 . 14 1 1 A 32 32 LEU C C 32 177.274 175.613 1.661 1
1 247 . 14 1 1 A 32 32 LEU CA C 32 54.494 54.994 -0.500 1
1 248 . 14 1 1 A 32 32 LEU CB C 32 43.119 42.883 0.236 1
1 252 . 14 1 1 A 32 32 LEU N N 32 124.082 124.784 -0.702 1
1 253 . 14 1 1 A 33 33 HIS H H 33 9.361 9.294 0.067 1
1 254 . 14 1 1 A 33 33 HIS HA H 33 4.698 4.830 -0.132 1
1 257 . 14 1 1 A 33 33 HIS C C 33 174.092 173.916 0.176 1
1 258 . 14 1 1 A 33 33 HIS CA C 33 56.497 55.782 0.715 1
1 259 . 14 1 1 A 33 33 HIS CB C 33 32.274 33.674 -1.400 1
1 260 . 14 1 1 A 33 33 HIS N N 33 125.743 125.101 0.642 1
1 261 . 14 1 1 A 34 34 ASP H H 34 9.134 9.001 0.133 1
1 262 . 14 1 1 A 34 34 ASP HA H 34 4.146 3.979 0.167 1
1 265 . 14 1 1 A 34 34 ASP C C 34 174.644 175.067 -0.423 1
1 266 . 14 1 1 A 34 34 ASP CA C 34 55.976 54.952 1.024 1
1 267 . 14 1 1 A 34 34 ASP CB C 34 39.179 39.450 -0.271 1
1 268 . 14 1 1 A 34 34 ASP N N 34 128.890 126.404 2.486 1
1 269 . 14 1 1 A 35 35 GLU H H 35 8.648 8.500 0.148 1
1 270 . 14 1 1 A 35 35 GLU HA H 35 3.681 3.819 -0.138 1
1 275 . 14 1 1 A 35 35 GLU C C 35 174.234 175.113 -0.879 1
1 276 . 14 1 1 A 35 35 GLU CA C 35 57.346 58.124 -0.778 1
1 277 . 14 1 1 A 35 35 GLU CB C 35 27.735 27.726 0.009 1
1 279 . 14 1 1 A 35 35 GLU N N 35 109.734 110.347 -0.613 1
1 280 . 14 1 1 A 36 36 ARG H H 36 7.710 7.633 0.077 1
1 281 . 14 1 1 A 36 36 ARG HA H 36 4.515 4.832 -0.317 1
1 285 . 14 1 1 A 36 36 ARG C C 36 174.063 175.076 -1.013 1
1 286 . 14 1 1 A 36 36 ARG CA C 36 54.212 54.033 0.179 1
1 287 . 14 1 1 A 36 36 ARG CB C 36 33.371 32.986 0.385 1
1 289 . 14 1 1 A 36 36 ARG N N 36 116.091 119.428 -3.337 1
1 290 . 14 1 1 A 37 37 VAL H H 37 8.803 8.593 0.210 1
1 291 . 14 1 1 A 37 37 VAL HA H 37 4.375 4.570 -0.195 1
1 299 . 14 1 1 A 37 37 VAL C C 37 174.388 175.295 -0.907 1
1 300 . 14 1 1 A 37 37 VAL CA C 37 62.620 62.513 0.107 1
1 301 . 14 1 1 A 37 37 VAL CB C 37 31.484 31.696 -0.212 1
1 304 . 14 1 1 A 37 37 VAL N N 37 122.430 121.131 1.299 1
1 305 . 14 1 1 A 38 38 LEU H H 38 8.966 9.254 -0.288 1
1 306 . 14 1 1 A 38 38 LEU HA H 38 5.495 5.301 0.194 1
1 316 . 14 1 1 A 38 38 LEU C C 38 177.365 176.166 1.199 1
1 317 . 14 1 1 A 38 38 LEU CA C 38 52.624 53.406 -0.782 1
1 318 . 14 1 1 A 38 38 LEU CB C 38 46.189 45.239 0.950 1
1 322 . 14 1 1 A 38 38 LEU N N 38 125.739 128.183 -2.444 1
1 323 . 14 1 1 A 39 39 VAL H H 39 8.899 9.039 -0.140 1
1 324 . 14 1 1 A 39 39 VAL HA H 39 4.006 3.920 0.086 1
1 332 . 14 1 1 A 39 39 VAL C C 39 176.380 176.132 0.248 1
1 333 . 14 1 1 A 39 39 VAL CA C 39 63.763 63.254 0.509 1
1 334 . 14 1 1 A 39 39 VAL CB C 39 31.629 31.116 0.513 1
1 337 . 14 1 1 A 39 39 VAL N N 39 119.125 122.636 -3.511 1
1 338 . 14 1 1 A 40 40 ALA H H 40 9.755 8.820 0.935 1
1 339 . 14 1 1 A 40 40 ALA HA H 40 4.533 4.274 0.259 1
1 343 . 14 1 1 A 40 40 ALA C C 40 176.636 177.413 -0.777 1
1 344 . 14 1 1 A 40 40 ALA CA C 40 52.536 54.184 -1.648 1
1 345 . 14 1 1 A 40 40 ALA CB C 40 20.860 20.005 0.855 1
1 346 . 14 1 1 A 40 40 ALA N N 40 133.618 129.325 4.293 1
1 347 . 14 1 1 A 41 41 PHE H H 41 7.761 7.702 0.059 1
1 348 . 14 1 1 A 41 41 PHE HA H 41 4.299 4.750 -0.451 1
1 353 . 14 1 1 A 41 41 PHE C C 41 172.990 173.674 -0.684 1
1 354 . 14 1 1 A 41 41 PHE CA C 41 59.306 57.059 2.247 1
1 355 . 14 1 1 A 41 41 PHE CB C 41 42.621 42.450 0.171 1
1 358 . 14 1 1 A 41 41 PHE N N 41 117.497 116.623 0.874 1
1 359 . 14 1 1 A 42 42 GLY H H 42 7.709 7.878 -0.169 1
1 360 . 14 1 1 A 42 42 GLY HA2 H 42 4.190 4.021 0.169 1
1 361 . 14 1 1 A 42 42 GLY HA3 H 42 3.327 4.023 -0.696 1
1 362 . 14 1 1 A 42 42 GLY C C 42 171.542 175.169 -3.627 1
1 363 . 14 1 1 A 42 42 GLY CA C 42 44.310 45.372 -1.062 1
1 364 . 14 1 1 A 42 42 GLY N N 42 114.790 112.098 2.692 1
1 365 . 14 1 1 A 43 43 GLN HA H 43 4.366 3.913 0.453 1
1 372 . 14 1 1 A 43 43 GLN CA C 43 55.207 58.464 -3.257 1
1 373 . 14 1 1 A 43 43 GLN CB C 43 30.347 28.101 2.246 1
1 376 . 14 1 1 A 49 49 VAL HA H 49 3.386 3.763 -0.377 1
1 384 . 14 1 1 A 49 49 VAL C C 49 177.680 177.304 0.376 1
1 385 . 14 1 1 A 49 49 VAL CA C 49 64.730 65.128 -0.398 1
1 386 . 14 1 1 A 49 49 VAL CB C 49 31.489 31.347 0.142 1
1 389 . 14 1 1 A 50 50 GLY H H 50 9.040 9.088 -0.048 1
1 390 . 14 1 1 A 50 50 GLY HA2 H 50 4.505 3.915 0.590 1
1 391 . 14 1 1 A 50 50 GLY HA3 H 50 3.562 3.931 -0.369 1
1 392 . 14 1 1 A 50 50 GLY C C 50 175.034 174.231 0.803 1
1 393 . 14 1 1 A 50 50 GLY CA C 50 44.901 45.379 -0.478 1
1 394 . 14 1 1 A 50 50 GLY N N 50 115.994 114.898 1.096 1
1 395 . 14 1 1 A 51 51 HIS H H 51 8.228 8.055 0.173 1
1 396 . 14 1 1 A 51 51 HIS HA H 51 4.614 4.533 0.081 1
1 400 . 14 1 1 A 51 51 HIS C C 51 174.681 175.244 -0.563 1
1 401 . 14 1 1 A 51 51 HIS CA C 51 57.434 56.368 1.066 1
1 402 . 14 1 1 A 51 51 HIS CB C 51 32.934 30.359 2.575 1
1 404 . 14 1 1 A 51 51 HIS N N 51 120.280 119.046 1.234 1
1 405 . 14 1 1 A 52 52 ALA H H 52 9.229 8.831 0.398 1
1 406 . 14 1 1 A 52 52 ALA HA H 52 5.587 4.664 0.923 1
1 410 . 14 1 1 A 52 52 ALA C C 52 177.988 177.015 0.973 1
1 411 . 14 1 1 A 52 52 ALA CA C 52 50.053 51.426 -1.373 1
1 412 . 14 1 1 A 52 52 ALA CB C 52 22.023 19.737 2.286 1
1 413 . 14 1 1 A 52 52 ALA N N 52 121.598 124.383 -2.785 1
1 414 . 14 1 1 A 53 53 VAL HA H 53 3.473 4.141 -0.668 1
1 422 . 14 1 1 A 53 53 VAL C C 53 175.227 175.556 -0.329 1
1 423 . 14 1 1 A 53 53 VAL CA C 53 63.914 62.839 1.075 1
1 424 . 14 1 1 A 53 53 VAL CB C 53 32.339 32.501 -0.162 1
1 427 . 14 1 1 A 54 54 LEU H H 54 9.067 9.376 -0.309 1
1 428 . 14 1 1 A 54 54 LEU HA H 54 4.599 4.614 -0.015 1
1 434 . 14 1 1 A 54 54 LEU C C 54 178.208 176.767 1.441 1
1 435 . 14 1 1 A 54 54 LEU CA C 54 55.084 55.674 -0.590 1
1 436 . 14 1 1 A 54 54 LEU CB C 54 43.490 43.986 -0.496 1
1 439 . 14 1 1 A 54 54 LEU N N 54 126.184 129.122 -2.938 1
1 440 . 14 1 1 A 55 55 ALA H H 55 7.665 7.704 -0.039 1
1 441 . 14 1 1 A 55 55 ALA HA H 55 4.889 4.999 -0.110 1
1 445 . 14 1 1 A 55 55 ALA C C 55 175.085 175.291 -0.206 1
1 446 . 14 1 1 A 55 55 ALA CA C 55 52.600 51.523 1.077 1
1 447 . 14 1 1 A 55 55 ALA CB C 55 21.847 22.892 -1.045 1
1 448 . 14 1 1 A 55 55 ALA N N 55 119.807 117.177 2.630 1
1 449 . 14 1 1 A 56 56 ILE H H 56 8.209 8.769 -0.560 1
1 450 . 14 1 1 A 56 56 ILE HA H 56 4.643 4.808 -0.165 1
1 460 . 14 1 1 A 56 56 ILE C C 56 176.001 175.965 0.036 1
1 461 . 14 1 1 A 56 56 ILE CA C 56 59.817 60.094 -0.277 1
1 462 . 14 1 1 A 56 56 ILE CB C 56 41.035 40.851 0.184 1
1 466 . 14 1 1 A 56 56 ILE N N 56 119.114 118.844 0.270 1
1 467 . 14 1 1 A 57 57 ASN H H 57 10.090 9.731 0.359 1
1 468 . 14 1 1 A 57 57 ASN HA H 57 4.523 4.524 -0.001 1
1 473 . 14 1 1 A 57 57 ASN C C 57 175.371 175.324 0.047 1
1 474 . 14 1 1 A 57 57 ASN CA C 57 54.161 54.597 -0.436 1
1 475 . 14 1 1 A 57 57 ASN CB C 57 36.953 37.162 -0.209 1
1 476 . 14 1 1 A 57 57 ASN N N 57 128.487 127.229 1.258 1
1 478 . 14 1 1 A 58 58 GLY H H 58 9.200 8.452 0.748 1
1 479 . 14 1 1 A 58 58 GLY HA2 H 58 4.080 3.866 0.214 1
1 480 . 14 1 1 A 58 58 GLY HA3 H 58 3.513 3.872 -0.359 1
1 481 . 14 1 1 A 58 58 GLY C C 58 174.149 173.936 0.213 1
1 482 . 14 1 1 A 58 58 GLY CA C 58 45.464 45.320 0.144 1
1 483 . 14 1 1 A 58 58 GLY N N 58 103.720 104.854 -1.134 1
1 484 . 14 1 1 A 59 59 MET H H 59 7.852 8.153 -0.301 1
1 485 . 14 1 1 A 59 59 MET HA H 59 4.801 4.307 0.494 1
1 490 . 14 1 1 A 59 59 MET C C 59 175.661 175.343 0.318 1
1 491 . 14 1 1 A 59 59 MET CA C 59 53.528 54.561 -1.033 1
1 492 . 14 1 1 A 59 59 MET CB C 59 33.623 31.823 1.800 1
1 494 . 14 1 1 A 59 59 MET N N 59 120.479 121.092 -0.613 1
1 495 . 14 1 1 A 60 60 ASP H H 60 8.931 8.758 0.173 1
1 496 . 14 1 1 A 60 60 ASP HA H 60 4.696 4.815 -0.119 1
1 499 . 14 1 1 A 60 60 ASP C C 60 176.608 175.611 0.997 1
1 500 . 14 1 1 A 60 60 ASP CA C 60 55.789 54.792 0.997 1
1 501 . 14 1 1 A 60 60 ASP CB C 60 40.793 41.342 -0.549 1
1 502 . 14 1 1 A 60 60 ASP N N 60 127.746 126.855 0.891 1
1 503 . 14 1 1 A 61 61 VAL H H 61 7.734 8.966 -1.232 1
1 504 . 14 1 1 A 61 61 VAL HA H 61 4.216 4.701 -0.485 1
1 512 . 14 1 1 A 61 61 VAL C C 61 174.993 174.666 0.327 1
1 513 . 14 1 1 A 61 61 VAL CA C 61 60.816 60.496 0.320 1
1 514 . 14 1 1 A 61 61 VAL CB C 61 32.006 33.334 -1.328 1
1 517 . 14 1 1 A 61 61 VAL N N 61 117.791 121.375 -3.584 1
1 518 . 14 1 1 A 62 62 ASN H H 62 9.011 8.852 0.159 1
1 519 . 14 1 1 A 62 62 ASN HA H 62 5.044 4.913 0.131 1
1 524 . 14 1 1 A 62 62 ASN C C 62 175.375 175.854 -0.479 1
1 525 . 14 1 1 A 62 62 ASN CA C 62 51.604 52.109 -0.505 1
1 526 . 14 1 1 A 62 62 ASN CB C 62 39.209 37.291 1.918 1
1 527 . 14 1 1 A 62 62 ASN N N 62 124.361 124.053 0.308 1
1 529 . 14 1 1 A 63 63 GLY H H 63 8.699 8.861 -0.162 1
1 530 . 14 1 1 A 63 63 GLY HA2 H 63 4.267 3.892 0.375 1
1 531 . 14 1 1 A 63 63 GLY HA3 H 63 3.760 3.912 -0.152 1
1 532 . 14 1 1 A 63 63 GLY C C 63 173.666 174.046 -0.380 1
1 533 . 14 1 1 A 63 63 GLY CA C 63 47.919 46.048 1.871 1
1 534 . 14 1 1 A 63 63 GLY N N 63 113.974 114.366 -0.392 1
1 535 . 14 1 1 A 64 64 ARG H H 64 8.595 8.270 0.325 1
1 536 . 14 1 1 A 64 64 ARG HA H 64 4.144 4.389 -0.245 1
1 544 . 14 1 1 A 64 64 ARG C C 64 175.001 174.851 0.150 1
1 545 . 14 1 1 A 64 64 ARG CA C 64 55.449 55.560 -0.111 1
1 546 . 14 1 1 A 64 64 ARG CB C 64 31.649 31.530 0.119 1
1 549 . 14 1 1 A 64 64 ARG N N 64 124.516 118.454 6.062 1
1 551 . 14 1 1 A 65 65 TYR H H 65 7.959 7.584 0.375 1
1 552 . 14 1 1 A 65 65 TYR HA H 65 5.515 5.458 0.057 1
1 559 . 14 1 1 A 65 65 TYR C C 65 176.353 175.963 0.390 1
1 560 . 14 1 1 A 65 65 TYR CA C 65 57.143 56.564 0.579 1
1 561 . 14 1 1 A 65 65 TYR CB C 65 42.338 42.232 0.106 1
1 566 . 14 1 1 A 65 65 TYR N N 65 119.872 118.704 1.168 1
1 567 . 14 1 1 A 66 66 THR H H 66 9.651 8.979 0.672 1
1 568 . 14 1 1 A 66 66 THR HA H 66 4.418 4.473 -0.055 1
1 573 . 14 1 1 A 66 66 THR C C 66 177.773 176.008 1.765 1
1 574 . 14 1 1 A 66 66 THR CA C 66 61.270 61.200 0.070 1
1 575 . 14 1 1 A 66 66 THR CB C 66 71.305 70.642 0.663 1
1 577 . 14 1 1 A 66 66 THR N N 66 111.062 115.443 -4.381 1
1 578 . 14 1 1 A 67 67 ALA H H 67 9.388 8.958 0.430 1
1 579 . 14 1 1 A 67 67 ALA HA H 67 4.109 3.992 0.117 1
1 583 . 14 1 1 A 67 67 ALA C C 67 177.993 179.478 -1.485 1
1 584 . 14 1 1 A 67 67 ALA CA C 67 55.247 55.360 -0.113 1
1 585 . 14 1 1 A 67 67 ALA CB C 67 18.955 18.246 0.709 1
1 586 . 14 1 1 A 67 67 ALA N N 67 125.051 124.382 0.669 1
1 587 . 14 1 1 A 68 68 ASP H H 68 7.980 7.851 0.129 1
1 588 . 14 1 1 A 68 68 ASP HA H 68 4.674 4.583 0.091 1
1 591 . 14 1 1 A 68 68 ASP C C 68 176.691 176.128 0.563 1
1 592 . 14 1 1 A 68 68 ASP CA C 68 52.824 54.628 -1.804 1
1 593 . 14 1 1 A 68 68 ASP CB C 68 39.776 41.245 -1.469 1
1 594 . 14 1 1 A 68 68 ASP N N 68 111.027 116.424 -5.397 1
1 595 . 14 1 1 A 69 69 GLY H H 69 8.052 7.766 0.286 1
1 596 . 14 1 1 A 69 69 GLY HA2 H 69 4.154 4.032 0.122 1
1 597 . 14 1 1 A 69 69 GLY HA3 H 69 3.569 4.074 -0.505 1
1 598 . 14 1 1 A 69 69 GLY C C 69 174.525 174.526 -0.001 1
1 599 . 14 1 1 A 69 69 GLY CA C 69 46.273 44.865 1.408 1
1 600 . 14 1 1 A 69 69 GLY N N 69 107.666 107.478 0.188 1
1 601 . 14 1 1 A 70 70 LYS H H 70 7.816 7.676 0.140 1
1 602 . 14 1 1 A 70 70 LYS HA H 70 4.639 4.332 0.307 1
1 611 . 14 1 1 A 70 70 LYS C C 70 176.713 176.562 0.151 1
1 612 . 14 1 1 A 70 70 LYS CA C 70 54.753 56.561 -1.808 1
1 613 . 14 1 1 A 70 70 LYS CB C 70 32.589 33.386 -0.797 1
1 617 . 14 1 1 A 70 70 LYS N N 70 120.047 120.609 -0.562 1
1 618 . 14 1 1 A 71 71 GLU H H 71 9.375 8.614 0.761 1
1 619 . 14 1 1 A 71 71 GLU HA H 71 4.366 4.548 -0.182 1
1 624 . 14 1 1 A 71 71 GLU C C 71 177.910 177.990 -0.080 1
1 625 . 14 1 1 A 71 71 GLU CA C 71 58.297 57.156 1.141 1
1 626 . 14 1 1 A 71 71 GLU CB C 71 29.572 31.222 -1.650 1
1 628 . 14 1 1 A 71 71 GLU N N 71 124.416 125.290 -0.874 1
1 629 . 14 1 1 A 72 72 VAL H H 72 9.028 8.836 0.192 1
1 630 . 14 1 1 A 72 72 VAL HA H 72 3.258 3.779 -0.521 1
1 638 . 14 1 1 A 72 72 VAL C C 72 177.159 177.220 -0.061 1
1 639 . 14 1 1 A 72 72 VAL CA C 72 67.561 66.873 0.688 1
1 640 . 14 1 1 A 72 72 VAL CB C 72 31.962 31.658 0.304 1
1 643 . 14 1 1 A 72 72 VAL N N 72 128.216 125.803 2.413 1
1 644 . 14 1 1 A 73 73 LEU H H 73 9.223 8.175 1.048 1
1 645 . 14 1 1 A 73 73 LEU HA H 73 3.972 3.923 0.049 1
1 655 . 14 1 1 A 73 73 LEU C C 73 180.513 179.456 1.057 1
1 656 . 14 1 1 A 73 73 LEU CA C 73 58.658 58.167 0.491 1
1 657 . 14 1 1 A 73 73 LEU CB C 73 40.458 40.831 -0.373 1
1 661 . 14 1 1 A 73 73 LEU N N 73 117.712 119.736 -2.024 1
1 662 . 14 1 1 A 74 74 GLU H H 74 7.456 8.323 -0.867 1
1 663 . 14 1 1 A 74 74 GLU HA H 74 4.133 3.986 0.147 1
1 668 . 14 1 1 A 74 74 GLU C C 74 179.695 178.672 1.023 1
1 669 . 14 1 1 A 74 74 GLU CA C 74 59.092 59.445 -0.353 1
1 670 . 14 1 1 A 74 74 GLU CB C 74 29.845 29.345 0.500 1
1 672 . 14 1 1 A 74 74 GLU N N 74 119.823 120.217 -0.394 1
1 673 . 14 1 1 A 75 75 TYR H H 75 8.706 8.502 0.204 1
1 674 . 14 1 1 A 75 75 TYR HA H 75 4.047 4.197 -0.150 1
1 681 . 14 1 1 A 75 75 TYR C C 75 179.408 176.735 2.673 1
1 682 . 14 1 1 A 75 75 TYR CA C 75 62.106 61.692 0.414 1
1 683 . 14 1 1 A 75 75 TYR CB C 75 39.275 38.905 0.370 1
1 688 . 14 1 1 A 75 75 TYR N N 75 123.223 121.247 1.976 1
1 689 . 14 1 1 A 76 76 LEU H H 76 8.586 8.709 -0.123 1
1 690 . 14 1 1 A 76 76 LEU HA H 76 4.458 3.909 0.549 1
1 700 . 14 1 1 A 76 76 LEU C C 76 178.328 179.417 -1.089 1
1 701 . 14 1 1 A 76 76 LEU CA C 76 55.395 57.868 -2.473 1
1 702 . 14 1 1 A 76 76 LEU CB C 76 41.315 41.761 -0.446 1
1 706 . 14 1 1 A 76 76 LEU N N 76 113.641 119.263 -5.622 1
1 707 . 14 1 1 A 77 77 GLY H H 77 7.868 8.028 -0.160 1
1 708 . 14 1 1 A 77 77 GLY HA2 H 77 4.541 3.822 0.719 1
1 709 . 14 1 1 A 77 77 GLY HA3 H 77 3.946 3.879 0.067 1
1 710 . 14 1 1 A 77 77 GLY C C 77 172.507 174.640 -2.133 1
1 711 . 14 1 1 A 77 77 GLY CA C 77 45.274 46.544 -1.270 1
1 712 . 14 1 1 A 77 77 GLY N N 77 108.897 106.489 2.408 1
1 713 . 14 1 1 A 78 78 ASN H H 78 7.108 7.676 -0.568 1
1 714 . 14 1 1 A 78 78 ASN HA H 78 5.208 4.795 0.413 1
1 719 . 14 1 1 A 78 78 ASN C C 78 174.475 175.409 -0.934 1
1 720 . 14 1 1 A 78 78 ASN CA C 78 49.514 51.095 -1.581 1
1 721 . 14 1 1 A 78 78 ASN CB C 78 39.531 39.636 -0.105 1
1 722 . 14 1 1 A 78 78 ASN N N 78 119.451 119.638 -0.187 1
1 724 . 14 1 1 A 79 79 PRO HA H 79 3.589 3.807 -0.218 1
1 731 . 14 1 1 A 79 79 PRO C C 79 177.877 177.081 0.796 1
1 732 . 14 1 1 A 79 79 PRO CA C 79 64.697 63.791 0.906 1
1 733 . 14 1 1 A 79 79 PRO CB C 79 30.935 31.229 -0.294 1
1 736 . 14 1 1 A 80 80 ALA H H 80 7.842 8.164 -0.322 1
1 737 . 14 1 1 A 80 80 ALA HA H 80 4.197 4.120 0.077 1
1 741 . 14 1 1 A 80 80 ALA C C 80 178.566 177.564 1.002 1
1 742 . 14 1 1 A 80 80 ALA CA C 80 53.801 53.952 -0.151 1
1 743 . 14 1 1 A 80 80 ALA CB C 80 18.366 18.355 0.011 1
1 744 . 14 1 1 A 80 80 ALA N N 80 119.231 119.632 -0.401 1
1 745 . 14 1 1 A 81 81 ASN H H 81 7.714 8.034 -0.320 1
1 746 . 14 1 1 A 81 81 ASN HA H 81 4.662 5.041 -0.379 1
1 751 . 14 1 1 A 81 81 ASN C C 81 172.714 175.551 -2.837 1
1 752 . 14 1 1 A 81 81 ASN CA C 81 52.960 52.011 0.949 1
1 753 . 14 1 1 A 81 81 ASN CB C 81 37.946 39.299 -1.353 1
1 754 . 14 1 1 A 81 81 ASN N N 81 113.680 116.552 -2.872 1
1 756 . 14 1 1 A 82 82 TYR H H 82 7.299 7.652 -0.353 1
1 757 . 14 1 1 A 82 82 TYR HA H 82 4.283 4.711 -0.428 1
1 763 . 14 1 1 A 82 82 TYR C C 82 174.383 176.389 -2.006 1
1 764 . 14 1 1 A 82 82 TYR CA C 82 57.061 60.958 -3.897 1
1 765 . 14 1 1 A 82 82 TYR CB C 82 39.447 37.703 1.744 1
1 770 . 14 1 1 A 82 82 TYR N N 82 118.625 121.109 -2.484 1
1 771 . 14 1 1 A 83 83 PRO HA H 83 4.381 4.850 -0.469 1
1 778 . 14 1 1 A 83 83 PRO CA C 83 62.946 62.949 -0.003 1
1 779 . 14 1 1 A 83 83 PRO CB C 83 32.088 31.784 0.304 1
1 782 . 14 1 1 A 84 84 VAL HA H 84 4.956 5.085 -0.129 1
1 790 . 14 1 1 A 84 84 VAL CA C 84 59.200 59.464 -0.264 1
1 791 . 14 1 1 A 84 84 VAL CB C 84 35.235 36.475 -1.240 1
1 794 . 14 1 1 A 85 85 SER H H 85 8.491 8.323 0.168 1
1 795 . 14 1 1 A 85 85 SER HA H 85 5.655 5.378 0.277 1
1 798 . 14 1 1 A 85 85 SER C C 85 174.729 173.357 1.372 1
1 799 . 14 1 1 A 85 85 SER CA C 85 56.679 57.324 -0.645 1
1 800 . 14 1 1 A 85 85 SER CB C 85 64.021 65.282 -1.261 1
1 801 . 14 1 1 A 85 85 SER N N 85 121.531 117.321 4.210 1
1 802 . 14 1 1 A 86 86 ILE H H 86 9.318 9.292 0.026 1
1 803 . 14 1 1 A 86 86 ILE HA H 86 4.803 4.994 -0.191 1
1 813 . 14 1 1 A 86 86 ILE C C 86 173.918 174.002 -0.084 1
1 814 . 14 1 1 A 86 86 ILE CA C 86 60.802 60.465 0.337 1
1 815 . 14 1 1 A 86 86 ILE CB C 86 41.352 42.428 -1.076 1
1 819 . 14 1 1 A 86 86 ILE N N 86 126.689 124.185 2.504 1
1 820 . 14 1 1 A 88 88 PHE HA H 88 5.866 5.591 0.275 1
1 826 . 14 1 1 A 88 88 PHE C C 88 175.891 173.821 2.070 1
1 827 . 14 1 1 A 88 88 PHE CA C 88 56.349 55.699 0.650 1
1 828 . 14 1 1 A 88 88 PHE CB C 88 44.020 43.023 0.997 1
1 832 . 14 1 1 A 89 89 GLY H H 89 8.913 8.842 0.071 1
1 833 . 14 1 1 A 89 89 GLY HA2 H 89 4.090 4.253 -0.163 1
1 834 . 14 1 1 A 89 89 GLY HA3 H 89 4.090 4.418 -0.328 1
1 835 . 14 1 1 A 89 89 GLY C C 89 171.617 172.066 -0.449 1
1 836 . 14 1 1 A 89 89 GLY CA C 89 45.684 46.114 -0.430 1
1 837 . 14 1 1 A 89 89 GLY N N 89 105.946 105.943 0.003 1
1 838 . 14 1 1 A 90 90 ARG H H 90 8.880 8.650 0.230 1
1 839 . 14 1 1 A 90 90 ARG HA H 90 4.628 4.384 0.244 1
1 846 . 14 1 1 A 90 90 ARG CA C 90 54.341 54.750 -0.409 1
1 847 . 14 1 1 A 90 90 ARG CB C 90 30.326 29.584 0.742 1
1 850 . 14 1 1 A 90 90 ARG N N 90 123.099 120.567 2.532 1
1 851 . 14 1 1 A 91 91 PRO HA H 91 4.390 4.464 -0.074 1
1 858 . 14 1 1 A 91 91 PRO CA C 91 62.994 63.297 -0.303 1
1 859 . 14 1 1 A 91 91 PRO CB C 91 32.136 32.235 -0.099 1
1 862 . 14 1 1 A 92 92 ARG H H 92 8.506 8.506 0.000 1
1 863 . 14 1 1 A 92 92 ARG HA H 92 4.321 4.952 -0.631 1
1 867 . 14 1 1 A 92 92 ARG C C 92 176.279 175.171 1.108 1
1 868 . 14 1 1 A 92 92 ARG CA C 92 56.320 54.558 1.762 1
1 869 . 14 1 1 A 92 92 ARG CB C 92 30.937 35.278 -4.341 1
1 871 . 14 1 1 A 92 92 ARG N N 92 121.873 122.401 -0.528 1
1 872 . 14 1 1 A 93 93 LEU H H 93 8.537 8.853 -0.316 1
1 873 . 14 1 1 A 93 93 LEU HA H 93 4.479 4.943 -0.464 1
1 876 . 14 1 1 A 93 93 LEU C C 93 177.444 176.334 1.110 1
1 877 . 14 1 1 A 93 93 LEU CA C 93 55.187 53.510 1.677 1
1 878 . 14 1 1 A 93 93 LEU CB C 93 42.551 46.157 -3.606 1
1 879 . 14 1 1 A 93 93 LEU N N 93 124.440 121.702 2.738 1
1 880 . 14 1 1 A 94 94 THR H H 94 8.183 8.613 -0.430 1
1 881 . 14 1 1 A 94 94 THR HA H 94 4.444 4.444 0.000 1
1 886 . 14 1 1 A 94 94 THR C C 94 174.383 176.026 -1.643 1
1 887 . 14 1 1 A 94 94 THR CA C 94 61.515 60.858 0.657 1
1 888 . 14 1 1 A 94 94 THR CB C 94 70.080 70.876 -0.796 1
1 890 . 14 1 1 A 94 94 THR N N 94 114.261 114.384 -0.123 1
1 891 . 14 1 1 A 95 95 SER H H 95 8.394 8.716 -0.322 1
1 892 . 14 1 1 A 95 95 SER HA H 95 4.502 4.311 0.191 1
1 895 . 14 1 1 A 95 95 SER C C 95 173.465 174.490 -1.025 1
1 896 . 14 1 1 A 95 95 SER CA C 95 58.383 60.850 -2.467 1
1 897 . 14 1 1 A 95 95 SER CB C 95 64.103 63.083 1.020 1
1 898 . 14 1 1 A 95 95 SER N N 95 117.878 118.462 -0.584 1
1 1 . 15 1 1 A 2 2 GLY H H 2 8.575 7.990 0.585 1
1 2 . 15 1 1 A 2 2 GLY HA3 H 2 3.941 4.053 -0.112 1
1 3 . 15 1 1 A 2 2 GLY CA C 2 45.109 45.620 -0.511 1
1 4 . 15 1 1 A 2 2 GLY N N 2 110.363 111.491 -1.128 1
1 5 . 15 1 1 A 3 3 HIS H H 3 8.398 8.215 0.183 1
1 7 . 15 1 1 A 3 3 HIS CA C 3 55.958 54.393 1.565 1
1 8 . 15 1 1 A 3 3 HIS CB C 3 29.588 33.173 -3.585 1
1 9 . 15 1 1 A 3 3 HIS N N 3 118.248 117.171 1.077 1
1 10 . 15 1 1 A 6 6 HIS HA H 6 4.637 4.895 -0.258 1
1 12 . 15 1 1 A 6 6 HIS CA C 6 55.805 54.283 1.522 1
1 13 . 15 1 1 A 6 6 HIS CB C 6 29.866 34.891 -5.025 1
1 14 . 15 1 1 A 7 7 HIS H H 7 8.775 8.474 0.301 1
1 15 . 15 1 1 A 7 7 HIS HA H 7 4.639 5.262 -0.623 1
1 18 . 15 1 1 A 7 7 HIS CA C 7 55.959 54.392 1.567 1
1 19 . 15 1 1 A 7 7 HIS CB C 7 29.834 34.281 -4.447 1
1 20 . 15 1 1 A 7 7 HIS N N 7 120.965 117.465 3.500 1
1 21 . 15 1 1 A 8 8 HIS H H 8 8.591 9.021 -0.430 1
1 22 . 15 1 1 A 8 8 HIS HA H 8 4.447 4.908 -0.461 1
1 25 . 15 1 1 A 8 8 HIS CA C 8 56.009 55.454 0.555 1
1 26 . 15 1 1 A 8 8 HIS CB C 8 32.890 32.571 0.319 1
1 27 . 15 1 1 A 8 8 HIS N N 8 122.251 121.077 1.174 1
1 28 . 15 1 1 A 9 9 LEU H H 9 8.430 7.549 0.881 1
1 29 . 15 1 1 A 9 9 LEU HA H 9 4.359 4.162 0.197 1
1 39 . 15 1 1 A 9 9 LEU C C 9 177.241 177.096 0.145 1
1 40 . 15 1 1 A 9 9 LEU CA C 9 55.395 54.785 0.610 1
1 41 . 15 1 1 A 9 9 LEU CB C 9 42.317 42.691 -0.374 1
1 45 . 15 1 1 A 9 9 LEU N N 9 123.074 123.535 -0.461 1
1 46 . 15 1 1 A 10 10 ASP H H 10 8.358 8.705 -0.347 1
1 47 . 15 1 1 A 10 10 ASP HA H 10 4.606 3.875 0.731 1
1 50 . 15 1 1 A 10 10 ASP C C 10 176.490 176.408 0.082 1
1 51 . 15 1 1 A 10 10 ASP CA C 10 54.541 55.051 -0.510 1
1 52 . 15 1 1 A 10 10 ASP CB C 10 41.244 40.350 0.894 1
1 53 . 15 1 1 A 10 10 ASP N N 10 121.299 123.507 -2.208 1
1 54 . 15 1 1 A 11 11 SER H H 11 8.212 8.385 -0.173 1
1 55 . 15 1 1 A 11 11 SER HA H 11 4.367 4.203 0.164 1
1 58 . 15 1 1 A 11 11 SER C C 11 174.210 175.388 -1.178 1
1 59 . 15 1 1 A 11 11 SER CA C 11 58.750 60.865 -2.115 1
1 60 . 15 1 1 A 11 11 SER CB C 11 63.743 63.134 0.609 1
1 61 . 15 1 1 A 11 11 SER N N 11 115.863 113.783 2.080 1
1 62 . 15 1 1 A 12 12 TYR H H 12 8.207 7.457 0.750 1
1 63 . 15 1 1 A 12 12 TYR HA H 12 4.562 4.379 0.183 1
1 70 . 15 1 1 A 12 12 TYR C C 12 175.105 177.947 -2.842 1
1 71 . 15 1 1 A 12 12 TYR CA C 12 57.994 59.422 -1.428 1
1 72 . 15 1 1 A 12 12 TYR CB C 12 38.821 37.642 1.179 1
1 77 . 15 1 1 A 12 12 TYR N N 12 121.901 120.057 1.844 1
1 78 . 15 1 1 A 13 13 ALA H H 13 8.033 7.700 0.333 1
1 79 . 15 1 1 A 13 13 ALA HA H 13 4.552 4.318 0.234 1
1 83 . 15 1 1 A 13 13 ALA C C 13 174.997 175.704 -0.707 1
1 84 . 15 1 1 A 13 13 ALA CA C 13 50.585 56.749 -6.164 1
1 85 . 15 1 1 A 13 13 ALA CB C 13 18.488 16.760 1.728 1
1 86 . 15 1 1 A 13 13 ALA N N 13 126.839 123.951 2.888 1
1 87 . 15 1 1 A 14 14 PRO HA H 14 4.390 4.261 0.129 1
1 94 . 15 1 1 A 14 14 PRO C C 14 176.894 178.680 -1.786 1
1 95 . 15 1 1 A 14 14 PRO CA C 14 63.199 65.734 -2.535 1
1 96 . 15 1 1 A 14 14 PRO CB C 14 32.210 30.577 1.633 1
1 99 . 15 1 1 A 15 15 ARG H H 15 8.492 8.177 0.315 1
1 100 . 15 1 1 A 15 15 ARG HA H 15 4.357 4.245 0.112 1
1 104 . 15 1 1 A 15 15 ARG C C 15 176.040 176.007 0.033 1
1 105 . 15 1 1 A 15 15 ARG CA C 15 56.029 58.721 -2.692 1
1 106 . 15 1 1 A 15 15 ARG CB C 15 31.097 31.483 -0.386 1
1 108 . 15 1 1 A 15 15 ARG N N 15 121.148 117.597 3.551 1
1 109 . 15 1 1 A 16 16 ALA H H 16 8.511 7.954 0.557 1
1 110 . 15 1 1 A 16 16 ALA HA H 16 4.352 4.686 -0.334 1
1 114 . 15 1 1 A 16 16 ALA C C 16 177.569 177.313 0.256 1
1 115 . 15 1 1 A 16 16 ALA CA C 16 52.771 51.171 1.600 1
1 116 . 15 1 1 A 16 16 ALA CB C 16 19.291 21.465 -2.174 1
1 117 . 15 1 1 A 16 16 ALA N N 16 125.410 118.943 6.467 1
1 118 . 15 1 1 A 17 17 GLU H H 17 8.513 8.419 0.094 1
1 119 . 15 1 1 A 17 17 GLU HA H 17 4.681 4.260 0.421 1
1 124 . 15 1 1 A 17 17 GLU C C 17 176.040 176.355 -0.315 1
1 125 . 15 1 1 A 17 17 GLU CA C 17 56.240 58.349 -2.109 1
1 126 . 15 1 1 A 17 17 GLU CB C 17 31.430 29.382 2.048 1
1 128 . 15 1 1 A 17 17 GLU N N 17 120.135 121.340 -1.205 1
1 129 . 15 1 1 A 20 20 LYS HA H 20 4.642 4.825 -0.183 1
1 132 . 15 1 1 A 20 20 LYS C C 20 174.395 175.803 -1.408 1
1 133 . 15 1 1 A 20 20 LYS CA C 20 55.041 54.506 0.535 1
1 134 . 15 1 1 A 20 20 LYS CB C 20 36.603 36.512 0.091 1
1 135 . 15 1 1 A 21 21 THR H H 21 8.278 8.516 -0.238 1
1 136 . 15 1 1 A 21 21 THR HA H 21 5.185 4.853 0.332 1
1 141 . 15 1 1 A 21 21 THR C C 21 174.123 173.313 0.810 1
1 142 . 15 1 1 A 21 21 THR CA C 21 62.206 62.419 -0.213 1
1 143 . 15 1 1 A 21 21 THR CB C 21 69.740 70.052 -0.312 1
1 145 . 15 1 1 A 21 21 THR N N 21 118.285 116.185 2.100 1
1 146 . 15 1 1 A 22 22 PHE H H 22 9.552 9.230 0.322 1
1 147 . 15 1 1 A 22 22 PHE HA H 22 4.934 5.060 -0.126 1
1 155 . 15 1 1 A 22 22 PHE CA C 22 57.809 55.719 2.090 1
1 156 . 15 1 1 A 22 22 PHE CB C 22 43.018 44.294 -1.276 1
1 162 . 15 1 1 A 22 22 PHE N N 22 125.884 123.855 2.029 1
1 163 . 15 1 1 A 23 23 SER H H 23 8.489 8.581 -0.092 1
1 164 . 15 1 1 A 23 23 SER HA H 23 4.874 5.135 -0.261 1
1 167 . 15 1 1 A 23 23 SER CA C 23 57.308 57.119 0.189 1
1 168 . 15 1 1 A 23 23 SER CB C 23 65.134 67.479 -2.345 1
1 169 . 15 1 1 A 23 23 SER N N 23 116.064 114.619 1.445 1
1 170 . 15 1 1 A 24 24 TYR H H 24 8.561 8.511 0.050 1
1 171 . 15 1 1 A 24 24 TYR HA H 24 3.787 4.732 -0.945 1
1 178 . 15 1 1 A 24 24 TYR CA C 24 55.942 55.530 0.412 1
1 179 . 15 1 1 A 24 24 TYR CB C 24 39.190 41.065 -1.875 1
1 184 . 15 1 1 A 24 24 TYR N N 24 120.614 118.752 1.862 1
1 185 . 15 1 1 A 25 25 PRO HA H 25 3.195 4.561 -1.366 1
1 192 . 15 1 1 A 25 25 PRO CA C 25 61.641 63.085 -1.444 1
1 193 . 15 1 1 A 25 25 PRO CB C 25 33.950 32.976 0.974 1
1 196 . 15 1 1 A 29 29 LEU HA H 29 4.651 5.005 -0.354 1
1 199 . 15 1 1 A 29 29 LEU C C 29 175.676 173.880 1.796 1
1 200 . 15 1 1 A 29 29 LEU CA C 29 54.443 53.824 0.619 1
1 201 . 15 1 1 A 29 29 LEU CB C 29 43.096 46.303 -3.207 1
1 204 . 15 1 1 A 30 30 LEU H H 30 8.665 8.863 -0.198 1
1 205 . 15 1 1 A 30 30 LEU HA H 30 5.369 5.357 0.012 1
1 212 . 15 1 1 A 30 30 LEU C C 30 176.370 175.287 1.083 1
1 213 . 15 1 1 A 30 30 LEU CA C 30 53.005 53.793 -0.788 1
1 214 . 15 1 1 A 30 30 LEU CB C 30 43.867 46.171 -2.304 1
1 217 . 15 1 1 A 30 30 LEU N N 30 126.293 126.333 -0.040 1
1 218 . 15 1 1 A 31 31 LYS H H 31 9.288 9.133 0.155 1
1 219 . 15 1 1 A 31 31 LYS HA H 31 4.664 4.954 -0.290 1
1 228 . 15 1 1 A 31 31 LYS C C 31 173.995 174.802 -0.807 1
1 229 . 15 1 1 A 31 31 LYS CA C 31 54.758 54.366 0.392 1
1 230 . 15 1 1 A 31 31 LYS CB C 31 37.173 36.282 0.891 1
1 234 . 15 1 1 A 31 31 LYS N N 31 119.484 119.274 0.210 1
1 235 . 15 1 1 A 32 32 LEU H H 32 8.724 8.523 0.201 1
1 236 . 15 1 1 A 32 32 LEU HA H 32 4.972 4.846 0.126 1
1 246 . 15 1 1 A 32 32 LEU C C 32 177.274 175.727 1.547 1
1 247 . 15 1 1 A 32 32 LEU CA C 32 54.494 55.022 -0.528 1
1 248 . 15 1 1 A 32 32 LEU CB C 32 43.119 42.947 0.172 1
1 252 . 15 1 1 A 32 32 LEU N N 32 124.082 124.845 -0.763 1
1 253 . 15 1 1 A 33 33 HIS H H 33 9.361 9.236 0.125 1
1 254 . 15 1 1 A 33 33 HIS HA H 33 4.698 4.843 -0.145 1
1 257 . 15 1 1 A 33 33 HIS C C 33 174.092 173.902 0.190 1
1 258 . 15 1 1 A 33 33 HIS CA C 33 56.497 55.792 0.705 1
1 259 . 15 1 1 A 33 33 HIS CB C 33 32.274 33.793 -1.519 1
1 260 . 15 1 1 A 33 33 HIS N N 33 125.743 125.265 0.478 1
1 261 . 15 1 1 A 34 34 ASP H H 34 9.134 9.134 0.000 1
1 262 . 15 1 1 A 34 34 ASP HA H 34 4.146 3.990 0.156 1
1 265 . 15 1 1 A 34 34 ASP C C 34 174.644 175.075 -0.431 1
1 266 . 15 1 1 A 34 34 ASP CA C 34 55.976 54.959 1.017 1
1 267 . 15 1 1 A 34 34 ASP CB C 34 39.179 39.435 -0.256 1
1 268 . 15 1 1 A 34 34 ASP N N 34 128.890 126.721 2.169 1
1 269 . 15 1 1 A 35 35 GLU H H 35 8.648 8.483 0.165 1
1 270 . 15 1 1 A 35 35 GLU HA H 35 3.681 3.767 -0.086 1
1 275 . 15 1 1 A 35 35 GLU C C 35 174.234 175.018 -0.784 1
1 276 . 15 1 1 A 35 35 GLU CA C 35 57.346 57.996 -0.650 1
1 277 . 15 1 1 A 35 35 GLU CB C 35 27.735 27.949 -0.214 1
1 279 . 15 1 1 A 35 35 GLU N N 35 109.734 110.251 -0.517 1
1 280 . 15 1 1 A 36 36 ARG H H 36 7.710 7.605 0.105 1
1 281 . 15 1 1 A 36 36 ARG HA H 36 4.515 4.931 -0.416 1
1 285 . 15 1 1 A 36 36 ARG C C 36 174.063 174.656 -0.593 1
1 286 . 15 1 1 A 36 36 ARG CA C 36 54.212 54.042 0.170 1
1 287 . 15 1 1 A 36 36 ARG CB C 36 33.371 33.895 -0.524 1
1 289 . 15 1 1 A 36 36 ARG N N 36 116.091 118.752 -2.661 1
1 290 . 15 1 1 A 37 37 VAL H H 37 8.803 8.525 0.278 1
1 291 . 15 1 1 A 37 37 VAL HA H 37 4.375 5.165 -0.790 1
1 299 . 15 1 1 A 37 37 VAL C C 37 174.388 174.881 -0.493 1
1 300 . 15 1 1 A 37 37 VAL CA C 37 62.620 60.737 1.883 1
1 301 . 15 1 1 A 37 37 VAL CB C 37 31.484 35.358 -3.874 1
1 304 . 15 1 1 A 37 37 VAL N N 37 122.430 119.412 3.018 1
1 305 . 15 1 1 A 38 38 LEU H H 38 8.966 9.040 -0.074 1
1 306 . 15 1 1 A 38 38 LEU HA H 38 5.495 5.220 0.275 1
1 316 . 15 1 1 A 38 38 LEU C C 38 177.365 176.189 1.176 1
1 317 . 15 1 1 A 38 38 LEU CA C 38 52.624 53.386 -0.762 1
1 318 . 15 1 1 A 38 38 LEU CB C 38 46.189 45.588 0.601 1
1 322 . 15 1 1 A 38 38 LEU N N 38 125.739 126.609 -0.870 1
1 323 . 15 1 1 A 39 39 VAL H H 39 8.899 9.226 -0.327 1
1 324 . 15 1 1 A 39 39 VAL HA H 39 4.006 3.952 0.054 1
1 332 . 15 1 1 A 39 39 VAL C C 39 176.380 176.273 0.107 1
1 333 . 15 1 1 A 39 39 VAL CA C 39 63.763 63.394 0.369 1
1 334 . 15 1 1 A 39 39 VAL CB C 39 31.629 31.313 0.316 1
1 337 . 15 1 1 A 39 39 VAL N N 39 119.125 122.513 -3.388 1
1 338 . 15 1 1 A 40 40 ALA H H 40 9.755 8.946 0.809 1
1 339 . 15 1 1 A 40 40 ALA HA H 40 4.533 4.334 0.199 1
1 343 . 15 1 1 A 40 40 ALA C C 40 176.636 177.249 -0.613 1
1 344 . 15 1 1 A 40 40 ALA CA C 40 52.536 54.119 -1.583 1
1 345 . 15 1 1 A 40 40 ALA CB C 40 20.860 19.999 0.861 1
1 346 . 15 1 1 A 40 40 ALA N N 40 133.618 129.475 4.143 1
1 347 . 15 1 1 A 41 41 PHE H H 41 7.761 7.511 0.250 1
1 348 . 15 1 1 A 41 41 PHE HA H 41 4.299 4.757 -0.458 1
1 353 . 15 1 1 A 41 41 PHE C C 41 172.990 173.551 -0.561 1
1 354 . 15 1 1 A 41 41 PHE CA C 41 59.306 57.230 2.076 1
1 355 . 15 1 1 A 41 41 PHE CB C 41 42.621 42.546 0.075 1
1 358 . 15 1 1 A 41 41 PHE N N 41 117.497 116.153 1.344 1
1 359 . 15 1 1 A 42 42 GLY H H 42 7.709 8.003 -0.294 1
1 360 . 15 1 1 A 42 42 GLY HA2 H 42 4.190 4.024 0.166 1
1 361 . 15 1 1 A 42 42 GLY HA3 H 42 3.327 4.119 -0.792 1
1 362 . 15 1 1 A 42 42 GLY C C 42 171.542 174.503 -2.961 1
1 363 . 15 1 1 A 42 42 GLY CA C 42 44.310 45.198 -0.888 1
1 364 . 15 1 1 A 42 42 GLY N N 42 114.790 111.808 2.982 1
1 365 . 15 1 1 A 43 43 GLN HA H 43 4.366 4.158 0.208 1
1 372 . 15 1 1 A 43 43 GLN CA C 43 55.207 56.390 -1.183 1
1 373 . 15 1 1 A 43 43 GLN CB C 43 30.347 29.051 1.296 1
1 376 . 15 1 1 A 49 49 VAL HA H 49 3.386 3.721 -0.335 1
1 384 . 15 1 1 A 49 49 VAL C C 49 177.680 177.257 0.423 1
1 385 . 15 1 1 A 49 49 VAL CA C 49 64.730 65.268 -0.538 1
1 386 . 15 1 1 A 49 49 VAL CB C 49 31.489 31.323 0.166 1
1 389 . 15 1 1 A 50 50 GLY H H 50 9.040 8.946 0.094 1
1 390 . 15 1 1 A 50 50 GLY HA2 H 50 4.505 3.898 0.607 1
1 391 . 15 1 1 A 50 50 GLY HA3 H 50 3.562 3.902 -0.340 1
1 392 . 15 1 1 A 50 50 GLY C C 50 175.034 174.378 0.656 1
1 393 . 15 1 1 A 50 50 GLY CA C 50 44.901 45.299 -0.398 1
1 394 . 15 1 1 A 50 50 GLY N N 50 115.994 114.906 1.088 1
1 395 . 15 1 1 A 51 51 HIS H H 51 8.228 8.155 0.073 1
1 396 . 15 1 1 A 51 51 HIS HA H 51 4.614 4.168 0.446 1
1 400 . 15 1 1 A 51 51 HIS C C 51 174.681 175.407 -0.726 1
1 401 . 15 1 1 A 51 51 HIS CA C 51 57.434 56.916 0.518 1
1 402 . 15 1 1 A 51 51 HIS CB C 51 32.934 32.496 0.438 1
1 404 . 15 1 1 A 51 51 HIS N N 51 120.280 120.786 -0.506 1
1 405 . 15 1 1 A 52 52 ALA H H 52 9.229 9.345 -0.116 1
1 406 . 15 1 1 A 52 52 ALA HA H 52 5.587 5.194 0.393 1
1 410 . 15 1 1 A 52 52 ALA C C 52 177.988 175.842 2.146 1
1 411 . 15 1 1 A 52 52 ALA CA C 52 50.053 50.190 -0.137 1
1 412 . 15 1 1 A 52 52 ALA CB C 52 22.023 21.983 0.040 1
1 413 . 15 1 1 A 52 52 ALA N N 52 121.598 123.036 -1.438 1
1 414 . 15 1 1 A 53 53 VAL HA H 53 3.473 4.312 -0.839 1
1 422 . 15 1 1 A 53 53 VAL C C 53 175.227 175.431 -0.204 1
1 423 . 15 1 1 A 53 53 VAL CA C 53 63.914 62.560 1.354 1
1 424 . 15 1 1 A 53 53 VAL CB C 53 32.339 32.449 -0.110 1
1 427 . 15 1 1 A 54 54 LEU H H 54 9.067 9.436 -0.369 1
1 428 . 15 1 1 A 54 54 LEU HA H 54 4.599 4.659 -0.060 1
1 434 . 15 1 1 A 54 54 LEU C C 54 178.208 176.771 1.437 1
1 435 . 15 1 1 A 54 54 LEU CA C 54 55.084 55.676 -0.592 1
1 436 . 15 1 1 A 54 54 LEU CB C 54 43.490 43.752 -0.262 1
1 439 . 15 1 1 A 54 54 LEU N N 54 126.184 129.762 -3.578 1
1 440 . 15 1 1 A 55 55 ALA H H 55 7.665 7.722 -0.057 1
1 441 . 15 1 1 A 55 55 ALA HA H 55 4.889 5.030 -0.141 1
1 445 . 15 1 1 A 55 55 ALA C C 55 175.085 175.296 -0.211 1
1 446 . 15 1 1 A 55 55 ALA CA C 55 52.600 51.002 1.598 1
1 447 . 15 1 1 A 55 55 ALA CB C 55 21.847 23.012 -1.165 1
1 448 . 15 1 1 A 55 55 ALA N N 55 119.807 118.160 1.647 1
1 449 . 15 1 1 A 56 56 ILE H H 56 8.209 8.720 -0.511 1
1 450 . 15 1 1 A 56 56 ILE HA H 56 4.643 4.763 -0.120 1
1 460 . 15 1 1 A 56 56 ILE C C 56 176.001 175.896 0.105 1
1 461 . 15 1 1 A 56 56 ILE CA C 56 59.817 59.941 -0.124 1
1 462 . 15 1 1 A 56 56 ILE CB C 56 41.035 40.782 0.253 1
1 466 . 15 1 1 A 56 56 ILE N N 56 119.114 120.049 -0.935 1
1 467 . 15 1 1 A 57 57 ASN H H 57 10.090 9.800 0.290 1
1 468 . 15 1 1 A 57 57 ASN HA H 57 4.523 4.526 -0.003 1
1 473 . 15 1 1 A 57 57 ASN C C 57 175.371 175.501 -0.130 1
1 474 . 15 1 1 A 57 57 ASN CA C 57 54.161 54.584 -0.423 1
1 475 . 15 1 1 A 57 57 ASN CB C 57 36.953 37.031 -0.078 1
1 476 . 15 1 1 A 57 57 ASN N N 57 128.487 127.065 1.422 1
1 478 . 15 1 1 A 58 58 GLY H H 58 9.200 8.619 0.581 1
1 479 . 15 1 1 A 58 58 GLY HA2 H 58 4.080 3.850 0.230 1
1 480 . 15 1 1 A 58 58 GLY HA3 H 58 3.513 3.861 -0.348 1
1 481 . 15 1 1 A 58 58 GLY C C 58 174.149 173.820 0.329 1
1 482 . 15 1 1 A 58 58 GLY CA C 58 45.464 45.445 0.019 1
1 483 . 15 1 1 A 58 58 GLY N N 58 103.720 104.474 -0.754 1
1 484 . 15 1 1 A 59 59 MET H H 59 7.852 8.175 -0.323 1
1 485 . 15 1 1 A 59 59 MET HA H 59 4.801 4.665 0.136 1
1 490 . 15 1 1 A 59 59 MET C C 59 175.661 175.082 0.579 1
1 491 . 15 1 1 A 59 59 MET CA C 59 53.528 54.316 -0.788 1
1 492 . 15 1 1 A 59 59 MET CB C 59 33.623 35.023 -1.400 1
1 494 . 15 1 1 A 59 59 MET N N 59 120.479 120.635 -0.156 1
1 495 . 15 1 1 A 60 60 ASP H H 60 8.931 8.787 0.144 1
1 496 . 15 1 1 A 60 60 ASP HA H 60 4.696 4.753 -0.057 1
1 499 . 15 1 1 A 60 60 ASP C C 60 176.608 175.574 1.034 1
1 500 . 15 1 1 A 60 60 ASP CA C 60 55.789 54.838 0.951 1
1 501 . 15 1 1 A 60 60 ASP CB C 60 40.793 41.417 -0.624 1
1 502 . 15 1 1 A 60 60 ASP N N 60 127.746 126.672 1.074 1
1 503 . 15 1 1 A 61 61 VAL H H 61 7.734 8.413 -0.679 1
1 504 . 15 1 1 A 61 61 VAL HA H 61 4.216 4.155 0.061 1
1 512 . 15 1 1 A 61 61 VAL C C 61 174.993 175.156 -0.163 1
1 513 . 15 1 1 A 61 61 VAL CA C 61 60.816 61.858 -1.042 1
1 514 . 15 1 1 A 61 61 VAL CB C 61 32.006 32.816 -0.810 1
1 517 . 15 1 1 A 61 61 VAL N N 61 117.791 123.406 -5.615 1
1 518 . 15 1 1 A 62 62 ASN H H 62 9.011 8.871 0.140 1
1 519 . 15 1 1 A 62 62 ASN HA H 62 5.044 5.063 -0.019 1
1 524 . 15 1 1 A 62 62 ASN C C 62 175.375 175.361 0.014 1
1 525 . 15 1 1 A 62 62 ASN CA C 62 51.604 51.827 -0.223 1
1 526 . 15 1 1 A 62 62 ASN CB C 62 39.209 37.165 2.044 1
1 527 . 15 1 1 A 62 62 ASN N N 62 124.361 123.697 0.664 1
1 529 . 15 1 1 A 63 63 GLY H H 63 8.699 8.751 -0.052 1
1 530 . 15 1 1 A 63 63 GLY HA2 H 63 4.267 3.804 0.463 1
1 531 . 15 1 1 A 63 63 GLY HA3 H 63 3.760 3.823 -0.063 1
1 532 . 15 1 1 A 63 63 GLY C C 63 173.666 174.926 -1.260 1
1 533 . 15 1 1 A 63 63 GLY CA C 63 47.919 47.327 0.592 1
1 534 . 15 1 1 A 63 63 GLY N N 63 113.974 114.639 -0.665 1
1 535 . 15 1 1 A 64 64 ARG H H 64 8.595 8.376 0.219 1
1 536 . 15 1 1 A 64 64 ARG HA H 64 4.144 4.205 -0.061 1
1 544 . 15 1 1 A 64 64 ARG C C 64 175.001 175.114 -0.113 1
1 545 . 15 1 1 A 64 64 ARG CA C 64 55.449 57.372 -1.923 1
1 546 . 15 1 1 A 64 64 ARG CB C 64 31.649 29.535 2.114 1
1 549 . 15 1 1 A 64 64 ARG N N 64 124.516 126.003 -1.487 1
1 551 . 15 1 1 A 65 65 TYR H H 65 7.959 7.694 0.265 1
1 552 . 15 1 1 A 65 65 TYR HA H 65 5.515 5.308 0.207 1
1 559 . 15 1 1 A 65 65 TYR C C 65 176.353 175.908 0.445 1
1 560 . 15 1 1 A 65 65 TYR CA C 65 57.143 56.770 0.373 1
1 561 . 15 1 1 A 65 65 TYR CB C 65 42.338 41.038 1.300 1
1 566 . 15 1 1 A 65 65 TYR N N 65 119.872 118.364 1.508 1
1 567 . 15 1 1 A 66 66 THR H H 66 9.651 9.133 0.518 1
1 568 . 15 1 1 A 66 66 THR HA H 66 4.418 4.453 -0.035 1
1 573 . 15 1 1 A 66 66 THR C C 66 177.773 175.950 1.823 1
1 574 . 15 1 1 A 66 66 THR CA C 66 61.270 61.113 0.157 1
1 575 . 15 1 1 A 66 66 THR CB C 66 71.305 70.668 0.637 1
1 577 . 15 1 1 A 66 66 THR N N 66 111.062 114.649 -3.587 1
1 578 . 15 1 1 A 67 67 ALA H H 67 9.388 8.967 0.421 1
1 579 . 15 1 1 A 67 67 ALA HA H 67 4.109 3.999 0.110 1
1 583 . 15 1 1 A 67 67 ALA C C 67 177.993 179.397 -1.404 1
1 584 . 15 1 1 A 67 67 ALA CA C 67 55.247 55.365 -0.118 1
1 585 . 15 1 1 A 67 67 ALA CB C 67 18.955 18.191 0.764 1
1 586 . 15 1 1 A 67 67 ALA N N 67 125.051 124.251 0.800 1
1 587 . 15 1 1 A 68 68 ASP H H 68 7.980 7.837 0.143 1
1 588 . 15 1 1 A 68 68 ASP HA H 68 4.674 4.605 0.069 1
1 591 . 15 1 1 A 68 68 ASP C C 68 176.691 176.156 0.535 1
1 592 . 15 1 1 A 68 68 ASP CA C 68 52.824 54.643 -1.819 1
1 593 . 15 1 1 A 68 68 ASP CB C 68 39.776 41.293 -1.517 1
1 594 . 15 1 1 A 68 68 ASP N N 68 111.027 116.660 -5.633 1
1 595 . 15 1 1 A 69 69 GLY H H 69 8.052 7.829 0.223 1
1 596 . 15 1 1 A 69 69 GLY HA2 H 69 4.154 3.997 0.157 1
1 597 . 15 1 1 A 69 69 GLY HA3 H 69 3.569 4.032 -0.463 1
1 598 . 15 1 1 A 69 69 GLY C C 69 174.525 174.505 0.020 1
1 599 . 15 1 1 A 69 69 GLY CA C 69 46.273 44.866 1.407 1
1 600 . 15 1 1 A 69 69 GLY N N 69 107.666 107.526 0.140 1
1 601 . 15 1 1 A 70 70 LYS H H 70 7.816 7.532 0.284 1
1 602 . 15 1 1 A 70 70 LYS HA H 70 4.639 4.395 0.244 1
1 611 . 15 1 1 A 70 70 LYS C C 70 176.713 176.550 0.163 1
1 612 . 15 1 1 A 70 70 LYS CA C 70 54.753 56.386 -1.633 1
1 613 . 15 1 1 A 70 70 LYS CB C 70 32.589 33.904 -1.315 1
1 617 . 15 1 1 A 70 70 LYS N N 70 120.047 120.626 -0.579 1
1 618 . 15 1 1 A 71 71 GLU H H 71 9.375 8.541 0.834 1
1 619 . 15 1 1 A 71 71 GLU HA H 71 4.366 4.598 -0.232 1
1 624 . 15 1 1 A 71 71 GLU C C 71 177.910 177.962 -0.052 1
1 625 . 15 1 1 A 71 71 GLU CA C 71 58.297 57.087 1.210 1
1 626 . 15 1 1 A 71 71 GLU CB C 71 29.572 31.395 -1.823 1
1 628 . 15 1 1 A 71 71 GLU N N 71 124.416 124.733 -0.317 1
1 629 . 15 1 1 A 72 72 VAL H H 72 9.028 8.946 0.082 1
1 630 . 15 1 1 A 72 72 VAL HA H 72 3.258 3.727 -0.469 1
1 638 . 15 1 1 A 72 72 VAL C C 72 177.159 177.207 -0.048 1
1 639 . 15 1 1 A 72 72 VAL CA C 72 67.561 66.795 0.766 1
1 640 . 15 1 1 A 72 72 VAL CB C 72 31.962 31.587 0.375 1
1 643 . 15 1 1 A 72 72 VAL N N 72 128.216 125.456 2.760 1
1 644 . 15 1 1 A 73 73 LEU H H 73 9.223 8.191 1.032 1
1 645 . 15 1 1 A 73 73 LEU HA H 73 3.972 3.930 0.042 1
1 655 . 15 1 1 A 73 73 LEU C C 73 180.513 179.392 1.121 1
1 656 . 15 1 1 A 73 73 LEU CA C 73 58.658 58.167 0.491 1
1 657 . 15 1 1 A 73 73 LEU CB C 73 40.458 40.748 -0.290 1
1 661 . 15 1 1 A 73 73 LEU N N 73 117.712 119.730 -2.018 1
1 662 . 15 1 1 A 74 74 GLU H H 74 7.456 8.193 -0.737 1
1 663 . 15 1 1 A 74 74 GLU HA H 74 4.133 4.004 0.129 1
1 668 . 15 1 1 A 74 74 GLU C C 74 179.695 178.394 1.301 1
1 669 . 15 1 1 A 74 74 GLU CA C 74 59.092 59.654 -0.562 1
1 670 . 15 1 1 A 74 74 GLU CB C 74 29.845 29.349 0.496 1
1 672 . 15 1 1 A 74 74 GLU N N 74 119.823 119.471 0.352 1
1 673 . 15 1 1 A 75 75 TYR H H 75 8.706 8.335 0.371 1
1 674 . 15 1 1 A 75 75 TYR HA H 75 4.047 4.255 -0.208 1
1 681 . 15 1 1 A 75 75 TYR C C 75 179.408 177.147 2.261 1
1 682 . 15 1 1 A 75 75 TYR CA C 75 62.106 61.505 0.601 1
1 683 . 15 1 1 A 75 75 TYR CB C 75 39.275 38.597 0.678 1
1 688 . 15 1 1 A 75 75 TYR N N 75 123.223 122.378 0.845 1
1 689 . 15 1 1 A 76 76 LEU H H 76 8.586 8.916 -0.330 1
1 690 . 15 1 1 A 76 76 LEU HA H 76 4.458 4.029 0.429 1
1 700 . 15 1 1 A 76 76 LEU C C 76 178.328 179.682 -1.354 1
1 701 . 15 1 1 A 76 76 LEU CA C 76 55.395 57.901 -2.506 1
1 702 . 15 1 1 A 76 76 LEU CB C 76 41.315 41.661 -0.346 1
1 706 . 15 1 1 A 76 76 LEU N N 76 113.641 118.911 -5.270 1
1 707 . 15 1 1 A 77 77 GLY H H 77 7.868 8.140 -0.272 1
1 708 . 15 1 1 A 77 77 GLY HA2 H 77 4.541 3.983 0.558 1
1 709 . 15 1 1 A 77 77 GLY HA3 H 77 3.946 4.004 -0.058 1
1 710 . 15 1 1 A 77 77 GLY C C 77 172.507 174.138 -1.631 1
1 711 . 15 1 1 A 77 77 GLY CA C 77 45.274 45.806 -0.532 1
1 712 . 15 1 1 A 77 77 GLY N N 77 108.897 106.663 2.234 1
1 713 . 15 1 1 A 78 78 ASN H H 78 7.108 7.641 -0.533 1
1 714 . 15 1 1 A 78 78 ASN HA H 78 5.208 4.883 0.325 1
1 719 . 15 1 1 A 78 78 ASN C C 78 174.475 174.836 -0.361 1
1 720 . 15 1 1 A 78 78 ASN CA C 78 49.514 50.513 -0.999 1
1 721 . 15 1 1 A 78 78 ASN CB C 78 39.531 39.424 0.107 1
1 722 . 15 1 1 A 78 78 ASN N N 78 119.451 120.659 -1.208 1
1 724 . 15 1 1 A 79 79 PRO HA H 79 3.589 3.465 0.124 1
1 731 . 15 1 1 A 79 79 PRO C C 79 177.877 176.994 0.883 1
1 732 . 15 1 1 A 79 79 PRO CA C 79 64.697 63.548 1.149 1
1 733 . 15 1 1 A 79 79 PRO CB C 79 30.935 31.214 -0.279 1
1 736 . 15 1 1 A 80 80 ALA H H 80 7.842 8.067 -0.225 1
1 737 . 15 1 1 A 80 80 ALA HA H 80 4.197 4.105 0.092 1
1 741 . 15 1 1 A 80 80 ALA C C 80 178.566 177.630 0.936 1
1 742 . 15 1 1 A 80 80 ALA CA C 80 53.801 53.941 -0.140 1
1 743 . 15 1 1 A 80 80 ALA CB C 80 18.366 18.331 0.035 1
1 744 . 15 1 1 A 80 80 ALA N N 80 119.231 119.438 -0.207 1
1 745 . 15 1 1 A 81 81 ASN H H 81 7.714 8.071 -0.357 1
1 746 . 15 1 1 A 81 81 ASN HA H 81 4.662 5.093 -0.431 1
1 751 . 15 1 1 A 81 81 ASN C C 81 172.714 176.134 -3.420 1
1 752 . 15 1 1 A 81 81 ASN CA C 81 52.960 51.739 1.221 1
1 753 . 15 1 1 A 81 81 ASN CB C 81 37.946 38.640 -0.694 1
1 754 . 15 1 1 A 81 81 ASN N N 81 113.680 113.214 0.466 1
1 756 . 15 1 1 A 82 82 TYR H H 82 7.299 7.795 -0.496 1
1 757 . 15 1 1 A 82 82 TYR HA H 82 4.283 4.542 -0.259 1
1 763 . 15 1 1 A 82 82 TYR C C 82 174.383 176.334 -1.951 1
1 764 . 15 1 1 A 82 82 TYR CA C 82 57.061 60.878 -3.817 1
1 765 . 15 1 1 A 82 82 TYR CB C 82 39.447 37.493 1.954 1
1 770 . 15 1 1 A 82 82 TYR N N 82 118.625 120.565 -1.940 1
1 771 . 15 1 1 A 83 83 PRO HA H 83 4.381 4.777 -0.396 1
1 778 . 15 1 1 A 83 83 PRO CA C 83 62.946 62.936 0.010 1
1 779 . 15 1 1 A 83 83 PRO CB C 83 32.088 31.835 0.253 1
1 782 . 15 1 1 A 84 84 VAL HA H 84 4.956 5.343 -0.387 1
1 790 . 15 1 1 A 84 84 VAL CA C 84 59.200 59.406 -0.206 1
1 791 . 15 1 1 A 84 84 VAL CB C 84 35.235 36.566 -1.331 1
1 794 . 15 1 1 A 85 85 SER H H 85 8.491 8.917 -0.426 1
1 795 . 15 1 1 A 85 85 SER HA H 85 5.655 5.687 -0.032 1
1 798 . 15 1 1 A 85 85 SER C C 85 174.729 173.366 1.363 1
1 799 . 15 1 1 A 85 85 SER CA C 85 56.679 57.297 -0.618 1
1 800 . 15 1 1 A 85 85 SER CB C 85 64.021 65.600 -1.579 1
1 801 . 15 1 1 A 85 85 SER N N 85 121.531 117.227 4.304 1
1 802 . 15 1 1 A 86 86 ILE H H 86 9.318 9.368 -0.050 1
1 803 . 15 1 1 A 86 86 ILE HA H 86 4.803 5.125 -0.322 1
1 813 . 15 1 1 A 86 86 ILE C C 86 173.918 174.656 -0.738 1
1 814 . 15 1 1 A 86 86 ILE CA C 86 60.802 59.667 1.135 1
1 815 . 15 1 1 A 86 86 ILE CB C 86 41.352 41.363 -0.011 1
1 819 . 15 1 1 A 86 86 ILE N N 86 126.689 124.611 2.078 1
1 820 . 15 1 1 A 88 88 PHE HA H 88 5.866 5.708 0.158 1
1 826 . 15 1 1 A 88 88 PHE C C 88 175.891 173.710 2.181 1
1 827 . 15 1 1 A 88 88 PHE CA C 88 56.349 55.640 0.709 1
1 828 . 15 1 1 A 88 88 PHE CB C 88 44.020 42.892 1.128 1
1 832 . 15 1 1 A 89 89 GLY H H 89 8.913 8.724 0.189 1
1 833 . 15 1 1 A 89 89 GLY HA2 H 89 4.090 4.277 -0.187 1
1 834 . 15 1 1 A 89 89 GLY HA3 H 89 4.090 4.375 -0.285 1
1 835 . 15 1 1 A 89 89 GLY C C 89 171.617 172.104 -0.487 1
1 836 . 15 1 1 A 89 89 GLY CA C 89 45.684 46.207 -0.523 1
1 837 . 15 1 1 A 89 89 GLY N N 89 105.946 105.772 0.174 1
1 838 . 15 1 1 A 90 90 ARG H H 90 8.880 8.615 0.265 1
1 839 . 15 1 1 A 90 90 ARG HA H 90 4.628 4.430 0.198 1
1 846 . 15 1 1 A 90 90 ARG CA C 90 54.341 54.737 -0.396 1
1 847 . 15 1 1 A 90 90 ARG CB C 90 30.326 29.754 0.572 1
1 850 . 15 1 1 A 90 90 ARG N N 90 123.099 120.714 2.385 1
1 851 . 15 1 1 A 91 91 PRO HA H 91 4.390 4.561 -0.171 1
1 858 . 15 1 1 A 91 91 PRO CA C 91 62.994 63.080 -0.086 1
1 859 . 15 1 1 A 91 91 PRO CB C 91 32.136 32.545 -0.409 1
1 862 . 15 1 1 A 92 92 ARG H H 92 8.506 9.230 -0.724 1
1 863 . 15 1 1 A 92 92 ARG HA H 92 4.321 4.720 -0.399 1
1 867 . 15 1 1 A 92 92 ARG C C 92 176.279 174.034 2.245 1
1 868 . 15 1 1 A 92 92 ARG CA C 92 56.320 54.766 1.554 1
1 869 . 15 1 1 A 92 92 ARG CB C 92 30.937 34.224 -3.287 1
1 871 . 15 1 1 A 92 92 ARG N N 92 121.873 124.348 -2.475 1
1 872 . 15 1 1 A 93 93 LEU H H 93 8.537 8.397 0.140 1
1 873 . 15 1 1 A 93 93 LEU HA H 93 4.479 4.403 0.076 1
1 876 . 15 1 1 A 93 93 LEU C C 93 177.444 176.675 0.769 1
1 877 . 15 1 1 A 93 93 LEU CA C 93 55.187 56.238 -1.051 1
1 878 . 15 1 1 A 93 93 LEU CB C 93 42.551 42.282 0.269 1
1 879 . 15 1 1 A 93 93 LEU N N 93 124.440 123.672 0.768 1
1 880 . 15 1 1 A 94 94 THR H H 94 8.183 8.729 -0.546 1
1 881 . 15 1 1 A 94 94 THR HA H 94 4.444 4.732 -0.288 1
1 886 . 15 1 1 A 94 94 THR C C 94 174.383 173.532 0.851 1
1 887 . 15 1 1 A 94 94 THR CA C 94 61.515 60.648 0.867 1
1 888 . 15 1 1 A 94 94 THR CB C 94 70.080 69.556 0.524 1
1 890 . 15 1 1 A 94 94 THR N N 94 114.261 117.277 -3.016 1
1 891 . 15 1 1 A 95 95 SER H H 95 8.394 7.691 0.703 1
1 892 . 15 1 1 A 95 95 SER HA H 95 4.502 4.842 -0.340 1
1 895 . 15 1 1 A 95 95 SER C C 95 173.465 172.616 0.849 1
1 896 . 15 1 1 A 95 95 SER CA C 95 58.383 57.620 0.763 1
1 897 . 15 1 1 A 95 95 SER CB C 95 64.103 65.839 -1.736 1
1 898 . 15 1 1 A 95 95 SER N N 95 117.878 113.370 4.508 1
1 1 . 16 1 1 A 2 2 GLY H H 2 8.575 9.026 -0.451 1
1 2 . 16 1 1 A 2 2 GLY HA3 H 2 3.941 3.825 0.116 1
1 3 . 16 1 1 A 2 2 GLY CA C 2 45.109 47.194 -2.085 1
1 4 . 16 1 1 A 2 2 GLY N N 2 110.363 113.356 -2.993 1
1 5 . 16 1 1 A 3 3 HIS H H 3 8.398 7.975 0.423 1
1 7 . 16 1 1 A 3 3 HIS CA C 3 55.958 55.290 0.668 1
1 8 . 16 1 1 A 3 3 HIS CB C 3 29.588 33.025 -3.437 1
1 9 . 16 1 1 A 3 3 HIS N N 3 118.248 120.894 -2.646 1
1 10 . 16 1 1 A 6 6 HIS HA H 6 4.637 4.938 -0.301 1
1 12 . 16 1 1 A 6 6 HIS CA C 6 55.805 55.037 0.768 1
1 13 . 16 1 1 A 6 6 HIS CB C 6 29.866 31.651 -1.785 1
1 14 . 16 1 1 A 7 7 HIS H H 7 8.775 7.355 1.420 1
1 15 . 16 1 1 A 7 7 HIS HA H 7 4.639 5.173 -0.534 1
1 18 . 16 1 1 A 7 7 HIS CA C 7 55.959 54.446 1.513 1
1 19 . 16 1 1 A 7 7 HIS CB C 7 29.834 33.795 -3.961 1
1 20 . 16 1 1 A 7 7 HIS N N 7 120.965 117.337 3.628 1
1 21 . 16 1 1 A 8 8 HIS H H 8 8.591 8.823 -0.232 1
1 22 . 16 1 1 A 8 8 HIS HA H 8 4.447 5.051 -0.604 1
1 25 . 16 1 1 A 8 8 HIS CA C 8 56.009 54.379 1.630 1
1 26 . 16 1 1 A 8 8 HIS CB C 8 32.890 34.740 -1.850 1
1 27 . 16 1 1 A 8 8 HIS N N 8 122.251 117.825 4.426 1
1 28 . 16 1 1 A 9 9 LEU H H 9 8.430 8.988 -0.558 1
1 29 . 16 1 1 A 9 9 LEU HA H 9 4.359 4.912 -0.553 1
1 39 . 16 1 1 A 9 9 LEU C C 9 177.241 176.655 0.586 1
1 40 . 16 1 1 A 9 9 LEU CA C 9 55.395 53.702 1.693 1
1 41 . 16 1 1 A 9 9 LEU CB C 9 42.317 46.002 -3.685 1
1 45 . 16 1 1 A 9 9 LEU N N 9 123.074 120.799 2.275 1
1 46 . 16 1 1 A 10 10 ASP H H 10 8.358 8.889 -0.531 1
1 47 . 16 1 1 A 10 10 ASP HA H 10 4.606 4.272 0.334 1
1 50 . 16 1 1 A 10 10 ASP C C 10 176.490 177.466 -0.976 1
1 51 . 16 1 1 A 10 10 ASP CA C 10 54.541 55.223 -0.682 1
1 52 . 16 1 1 A 10 10 ASP CB C 10 41.244 40.702 0.542 1
1 53 . 16 1 1 A 10 10 ASP N N 10 121.299 123.045 -1.746 1
1 54 . 16 1 1 A 11 11 SER H H 11 8.212 8.044 0.168 1
1 55 . 16 1 1 A 11 11 SER HA H 11 4.367 4.048 0.319 1
1 58 . 16 1 1 A 11 11 SER C C 11 174.210 176.547 -2.337 1
1 59 . 16 1 1 A 11 11 SER CA C 11 58.750 61.962 -3.212 1
1 60 . 16 1 1 A 11 11 SER CB C 11 63.743 63.167 0.576 1
1 61 . 16 1 1 A 11 11 SER N N 11 115.863 115.049 0.814 1
1 62 . 16 1 1 A 12 12 TYR H H 12 8.207 7.583 0.624 1
1 63 . 16 1 1 A 12 12 TYR HA H 12 4.562 4.444 0.118 1
1 70 . 16 1 1 A 12 12 TYR C C 12 175.105 176.310 -1.205 1
1 71 . 16 1 1 A 12 12 TYR CA C 12 57.994 58.031 -0.037 1
1 72 . 16 1 1 A 12 12 TYR CB C 12 38.821 37.850 0.971 1
1 77 . 16 1 1 A 12 12 TYR N N 12 121.901 119.078 2.823 1
1 78 . 16 1 1 A 13 13 ALA H H 13 8.033 7.068 0.965 1
1 79 . 16 1 1 A 13 13 ALA HA H 13 4.552 4.369 0.183 1
1 83 . 16 1 1 A 13 13 ALA C C 13 174.997 177.437 -2.440 1
1 84 . 16 1 1 A 13 13 ALA CA C 13 50.585 50.436 0.149 1
1 85 . 16 1 1 A 13 13 ALA CB C 13 18.488 18.718 -0.230 1
1 86 . 16 1 1 A 13 13 ALA N N 13 126.839 124.608 2.231 1
1 87 . 16 1 1 A 14 14 PRO HA H 14 4.390 4.392 -0.002 1
1 94 . 16 1 1 A 14 14 PRO C C 14 176.894 178.363 -1.469 1
1 95 . 16 1 1 A 14 14 PRO CA C 14 63.199 64.636 -1.437 1
1 96 . 16 1 1 A 14 14 PRO CB C 14 32.210 32.182 0.028 1
1 99 . 16 1 1 A 15 15 ARG H H 15 8.492 8.736 -0.244 1
1 100 . 16 1 1 A 15 15 ARG HA H 15 4.357 4.120 0.237 1
1 104 . 16 1 1 A 15 15 ARG C C 15 176.040 175.799 0.241 1
1 105 . 16 1 1 A 15 15 ARG CA C 15 56.029 57.959 -1.930 1
1 106 . 16 1 1 A 15 15 ARG CB C 15 31.097 30.205 0.892 1
1 108 . 16 1 1 A 15 15 ARG N N 15 121.148 117.584 3.564 1
1 109 . 16 1 1 A 16 16 ALA H H 16 8.511 7.648 0.863 1
1 110 . 16 1 1 A 16 16 ALA HA H 16 4.352 4.795 -0.443 1
1 114 . 16 1 1 A 16 16 ALA C C 16 177.569 175.371 2.198 1
1 115 . 16 1 1 A 16 16 ALA CA C 16 52.771 50.645 2.126 1
1 116 . 16 1 1 A 16 16 ALA CB C 16 19.291 23.111 -3.820 1
1 117 . 16 1 1 A 16 16 ALA N N 16 125.410 119.607 5.803 1
1 118 . 16 1 1 A 17 17 GLU H H 17 8.513 8.563 -0.050 1
1 119 . 16 1 1 A 17 17 GLU HA H 17 4.681 5.009 -0.328 1
1 124 . 16 1 1 A 17 17 GLU C C 17 176.040 175.881 0.159 1
1 125 . 16 1 1 A 17 17 GLU CA C 17 56.240 54.552 1.688 1
1 126 . 16 1 1 A 17 17 GLU CB C 17 31.430 33.636 -2.206 1
1 128 . 16 1 1 A 17 17 GLU N N 17 120.135 116.548 3.587 1
1 129 . 16 1 1 A 20 20 LYS HA H 20 4.642 4.957 -0.315 1
1 132 . 16 1 1 A 20 20 LYS C C 20 174.395 175.024 -0.629 1
1 133 . 16 1 1 A 20 20 LYS CA C 20 55.041 54.495 0.546 1
1 134 . 16 1 1 A 20 20 LYS CB C 20 36.603 36.788 -0.185 1
1 135 . 16 1 1 A 21 21 THR H H 21 8.278 8.283 -0.005 1
1 136 . 16 1 1 A 21 21 THR HA H 21 5.185 5.136 0.049 1
1 141 . 16 1 1 A 21 21 THR C C 21 174.123 172.902 1.221 1
1 142 . 16 1 1 A 21 21 THR CA C 21 62.206 61.378 0.828 1
1 143 . 16 1 1 A 21 21 THR CB C 21 69.740 70.635 -0.895 1
1 145 . 16 1 1 A 21 21 THR N N 21 118.285 114.861 3.424 1
1 146 . 16 1 1 A 22 22 PHE H H 22 9.552 9.191 0.361 1
1 147 . 16 1 1 A 22 22 PHE HA H 22 4.934 5.065 -0.131 1
1 155 . 16 1 1 A 22 22 PHE CA C 22 57.809 55.738 2.071 1
1 156 . 16 1 1 A 22 22 PHE CB C 22 43.018 44.052 -1.034 1
1 162 . 16 1 1 A 22 22 PHE N N 22 125.884 123.951 1.933 1
1 163 . 16 1 1 A 23 23 SER H H 23 8.489 8.632 -0.143 1
1 164 . 16 1 1 A 23 23 SER HA H 23 4.874 4.782 0.092 1
1 167 . 16 1 1 A 23 23 SER CA C 23 57.308 57.163 0.145 1
1 168 . 16 1 1 A 23 23 SER CB C 23 65.134 67.468 -2.334 1
1 169 . 16 1 1 A 23 23 SER N N 23 116.064 114.568 1.496 1
1 170 . 16 1 1 A 24 24 TYR H H 24 8.561 8.422 0.139 1
1 171 . 16 1 1 A 24 24 TYR HA H 24 3.787 4.779 -0.992 1
1 178 . 16 1 1 A 24 24 TYR CA C 24 55.942 55.530 0.412 1
1 179 . 16 1 1 A 24 24 TYR CB C 24 39.190 41.279 -2.089 1
1 184 . 16 1 1 A 24 24 TYR N N 24 120.614 118.953 1.661 1
1 185 . 16 1 1 A 25 25 PRO HA H 25 3.195 4.705 -1.510 1
1 192 . 16 1 1 A 25 25 PRO CA C 25 61.641 63.026 -1.385 1
1 193 . 16 1 1 A 25 25 PRO CB C 25 33.950 32.237 1.713 1
1 196 . 16 1 1 A 29 29 LEU HA H 29 4.651 4.507 0.144 1
1 199 . 16 1 1 A 29 29 LEU C C 29 175.676 175.294 0.382 1
1 200 . 16 1 1 A 29 29 LEU CA C 29 54.443 54.477 -0.034 1
1 201 . 16 1 1 A 29 29 LEU CB C 29 43.096 39.895 3.201 1
1 204 . 16 1 1 A 30 30 LEU H H 30 8.665 8.403 0.262 1
1 205 . 16 1 1 A 30 30 LEU HA H 30 5.369 5.240 0.129 1
1 212 . 16 1 1 A 30 30 LEU C C 30 176.370 175.629 0.741 1
1 213 . 16 1 1 A 30 30 LEU CA C 30 53.005 53.564 -0.559 1
1 214 . 16 1 1 A 30 30 LEU CB C 30 43.867 45.738 -1.871 1
1 217 . 16 1 1 A 30 30 LEU N N 30 126.293 125.861 0.432 1
1 218 . 16 1 1 A 31 31 LYS H H 31 9.288 9.095 0.193 1
1 219 . 16 1 1 A 31 31 LYS HA H 31 4.664 4.957 -0.293 1
1 228 . 16 1 1 A 31 31 LYS C C 31 173.995 174.838 -0.843 1
1 229 . 16 1 1 A 31 31 LYS CA C 31 54.758 54.385 0.373 1
1 230 . 16 1 1 A 31 31 LYS CB C 31 37.173 36.248 0.925 1
1 234 . 16 1 1 A 31 31 LYS N N 31 119.484 119.097 0.387 1
1 235 . 16 1 1 A 32 32 LEU H H 32 8.724 8.565 0.159 1
1 236 . 16 1 1 A 32 32 LEU HA H 32 4.972 4.908 0.064 1
1 246 . 16 1 1 A 32 32 LEU C C 32 177.274 175.627 1.647 1
1 247 . 16 1 1 A 32 32 LEU CA C 32 54.494 54.669 -0.175 1
1 248 . 16 1 1 A 32 32 LEU CB C 32 43.119 43.115 0.004 1
1 252 . 16 1 1 A 32 32 LEU N N 32 124.082 124.458 -0.376 1
1 253 . 16 1 1 A 33 33 HIS H H 33 9.361 9.165 0.196 1
1 254 . 16 1 1 A 33 33 HIS HA H 33 4.698 4.822 -0.124 1
1 257 . 16 1 1 A 33 33 HIS C C 33 174.092 173.919 0.173 1
1 258 . 16 1 1 A 33 33 HIS CA C 33 56.497 55.885 0.612 1
1 259 . 16 1 1 A 33 33 HIS CB C 33 32.274 33.761 -1.487 1
1 260 . 16 1 1 A 33 33 HIS N N 33 125.743 124.884 0.859 1
1 261 . 16 1 1 A 34 34 ASP H H 34 9.134 8.950 0.184 1
1 262 . 16 1 1 A 34 34 ASP HA H 34 4.146 3.998 0.148 1
1 265 . 16 1 1 A 34 34 ASP C C 34 174.644 175.018 -0.374 1
1 266 . 16 1 1 A 34 34 ASP CA C 34 55.976 54.943 1.033 1
1 267 . 16 1 1 A 34 34 ASP CB C 34 39.179 39.400 -0.221 1
1 268 . 16 1 1 A 34 34 ASP N N 34 128.890 126.383 2.507 1
1 269 . 16 1 1 A 35 35 GLU H H 35 8.648 8.426 0.222 1
1 270 . 16 1 1 A 35 35 GLU HA H 35 3.681 3.735 -0.054 1
1 275 . 16 1 1 A 35 35 GLU C C 35 174.234 174.898 -0.664 1
1 276 . 16 1 1 A 35 35 GLU CA C 35 57.346 57.840 -0.494 1
1 277 . 16 1 1 A 35 35 GLU CB C 35 27.735 27.796 -0.061 1
1 279 . 16 1 1 A 35 35 GLU N N 35 109.734 110.665 -0.931 1
1 280 . 16 1 1 A 36 36 ARG H H 36 7.710 7.568 0.142 1
1 281 . 16 1 1 A 36 36 ARG HA H 36 4.515 4.939 -0.424 1
1 285 . 16 1 1 A 36 36 ARG C C 36 174.063 174.730 -0.667 1
1 286 . 16 1 1 A 36 36 ARG CA C 36 54.212 53.978 0.234 1
1 287 . 16 1 1 A 36 36 ARG CB C 36 33.371 34.238 -0.867 1
1 289 . 16 1 1 A 36 36 ARG N N 36 116.091 118.227 -2.136 1
1 290 . 16 1 1 A 37 37 VAL H H 37 8.803 8.407 0.396 1
1 291 . 16 1 1 A 37 37 VAL HA H 37 4.375 5.093 -0.718 1
1 299 . 16 1 1 A 37 37 VAL C C 37 174.388 174.912 -0.524 1
1 300 . 16 1 1 A 37 37 VAL CA C 37 62.620 61.135 1.485 1
1 301 . 16 1 1 A 37 37 VAL CB C 37 31.484 34.045 -2.561 1
1 304 . 16 1 1 A 37 37 VAL N N 37 122.430 120.047 2.383 1
1 305 . 16 1 1 A 38 38 LEU H H 38 8.966 9.027 -0.061 1
1 306 . 16 1 1 A 38 38 LEU HA H 38 5.495 5.319 0.176 1
1 316 . 16 1 1 A 38 38 LEU C C 38 177.365 176.267 1.098 1
1 317 . 16 1 1 A 38 38 LEU CA C 38 52.624 53.380 -0.756 1
1 318 . 16 1 1 A 38 38 LEU CB C 38 46.189 45.340 0.849 1
1 322 . 16 1 1 A 38 38 LEU N N 38 125.739 127.152 -1.413 1
1 323 . 16 1 1 A 39 39 VAL H H 39 8.899 9.207 -0.308 1
1 324 . 16 1 1 A 39 39 VAL HA H 39 4.006 3.990 0.016 1
1 332 . 16 1 1 A 39 39 VAL C C 39 176.380 176.690 -0.310 1
1 333 . 16 1 1 A 39 39 VAL CA C 39 63.763 63.655 0.108 1
1 334 . 16 1 1 A 39 39 VAL CB C 39 31.629 31.475 0.154 1
1 337 . 16 1 1 A 39 39 VAL N N 39 119.125 122.198 -3.073 1
1 338 . 16 1 1 A 40 40 ALA H H 40 9.755 8.969 0.786 1
1 339 . 16 1 1 A 40 40 ALA HA H 40 4.533 4.343 0.190 1
1 343 . 16 1 1 A 40 40 ALA C C 40 176.636 177.459 -0.823 1
1 344 . 16 1 1 A 40 40 ALA CA C 40 52.536 53.608 -1.072 1
1 345 . 16 1 1 A 40 40 ALA CB C 40 20.860 19.974 0.886 1
1 346 . 16 1 1 A 40 40 ALA N N 40 133.618 129.586 4.032 1
1 347 . 16 1 1 A 41 41 PHE H H 41 7.761 7.287 0.474 1
1 348 . 16 1 1 A 41 41 PHE HA H 41 4.299 4.781 -0.482 1
1 353 . 16 1 1 A 41 41 PHE C C 41 172.990 174.044 -1.054 1
1 354 . 16 1 1 A 41 41 PHE CA C 41 59.306 56.510 2.796 1
1 355 . 16 1 1 A 41 41 PHE CB C 41 42.621 42.416 0.205 1
1 358 . 16 1 1 A 41 41 PHE N N 41 117.497 117.765 -0.268 1
1 359 . 16 1 1 A 42 42 GLY H H 42 7.709 7.809 -0.100 1
1 360 . 16 1 1 A 42 42 GLY HA2 H 42 4.190 3.833 0.357 1
1 361 . 16 1 1 A 42 42 GLY HA3 H 42 3.327 3.990 -0.663 1
1 362 . 16 1 1 A 42 42 GLY C C 42 171.542 172.584 -1.042 1
1 363 . 16 1 1 A 42 42 GLY CA C 42 44.310 45.608 -1.298 1
1 364 . 16 1 1 A 42 42 GLY N N 42 114.790 111.729 3.061 1
1 365 . 16 1 1 A 43 43 GLN HA H 43 4.366 4.622 -0.256 1
1 372 . 16 1 1 A 43 43 GLN CA C 43 55.207 54.869 0.338 1
1 373 . 16 1 1 A 43 43 GLN CB C 43 30.347 28.622 1.725 1
1 376 . 16 1 1 A 49 49 VAL HA H 49 3.386 3.836 -0.450 1
1 384 . 16 1 1 A 49 49 VAL C C 49 177.680 176.263 1.417 1
1 385 . 16 1 1 A 49 49 VAL CA C 49 64.730 63.120 1.610 1
1 386 . 16 1 1 A 49 49 VAL CB C 49 31.489 31.312 0.177 1
1 389 . 16 1 1 A 50 50 GLY H H 50 9.040 8.702 0.338 1
1 390 . 16 1 1 A 50 50 GLY HA2 H 50 4.505 3.980 0.525 1
1 391 . 16 1 1 A 50 50 GLY HA3 H 50 3.562 4.003 -0.441 1
1 392 . 16 1 1 A 50 50 GLY C C 50 175.034 174.682 0.352 1
1 393 . 16 1 1 A 50 50 GLY CA C 50 44.901 44.915 -0.014 1
1 394 . 16 1 1 A 50 50 GLY N N 50 115.994 114.728 1.266 1
1 395 . 16 1 1 A 51 51 HIS H H 51 8.228 7.870 0.358 1
1 396 . 16 1 1 A 51 51 HIS HA H 51 4.614 4.483 0.131 1
1 400 . 16 1 1 A 51 51 HIS C C 51 174.681 175.202 -0.521 1
1 401 . 16 1 1 A 51 51 HIS CA C 51 57.434 56.578 0.856 1
1 402 . 16 1 1 A 51 51 HIS CB C 51 32.934 31.014 1.920 1
1 404 . 16 1 1 A 51 51 HIS N N 51 120.280 119.315 0.965 1
1 405 . 16 1 1 A 52 52 ALA H H 52 9.229 9.441 -0.212 1
1 406 . 16 1 1 A 52 52 ALA HA H 52 5.587 5.240 0.347 1
1 410 . 16 1 1 A 52 52 ALA C C 52 177.988 176.701 1.287 1
1 411 . 16 1 1 A 52 52 ALA CA C 52 50.053 50.255 -0.202 1
1 412 . 16 1 1 A 52 52 ALA CB C 52 22.023 22.625 -0.602 1
1 413 . 16 1 1 A 52 52 ALA N N 52 121.598 123.561 -1.963 1
1 414 . 16 1 1 A 53 53 VAL HA H 53 3.473 3.487 -0.014 1
1 422 . 16 1 1 A 53 53 VAL C C 53 175.227 175.783 -0.556 1
1 423 . 16 1 1 A 53 53 VAL CA C 53 63.914 63.197 0.717 1
1 424 . 16 1 1 A 53 53 VAL CB C 53 32.339 31.952 0.387 1
1 427 . 16 1 1 A 54 54 LEU H H 54 9.067 9.192 -0.125 1
1 428 . 16 1 1 A 54 54 LEU HA H 54 4.599 4.567 0.032 1
1 434 . 16 1 1 A 54 54 LEU C C 54 178.208 176.579 1.629 1
1 435 . 16 1 1 A 54 54 LEU CA C 54 55.084 55.672 -0.588 1
1 436 . 16 1 1 A 54 54 LEU CB C 54 43.490 43.699 -0.209 1
1 439 . 16 1 1 A 54 54 LEU N N 54 126.184 126.968 -0.784 1
1 440 . 16 1 1 A 55 55 ALA H H 55 7.665 7.476 0.189 1
1 441 . 16 1 1 A 55 55 ALA HA H 55 4.889 4.935 -0.046 1
1 445 . 16 1 1 A 55 55 ALA C C 55 175.085 175.191 -0.106 1
1 446 . 16 1 1 A 55 55 ALA CA C 55 52.600 51.499 1.101 1
1 447 . 16 1 1 A 55 55 ALA CB C 55 21.847 22.761 -0.914 1
1 448 . 16 1 1 A 55 55 ALA N N 55 119.807 117.374 2.433 1
1 449 . 16 1 1 A 56 56 ILE H H 56 8.209 8.744 -0.535 1
1 450 . 16 1 1 A 56 56 ILE HA H 56 4.643 4.759 -0.116 1
1 460 . 16 1 1 A 56 56 ILE C C 56 176.001 175.924 0.077 1
1 461 . 16 1 1 A 56 56 ILE CA C 56 59.817 60.022 -0.205 1
1 462 . 16 1 1 A 56 56 ILE CB C 56 41.035 40.810 0.225 1
1 466 . 16 1 1 A 56 56 ILE N N 56 119.114 118.774 0.340 1
1 467 . 16 1 1 A 57 57 ASN H H 57 10.090 9.788 0.302 1
1 468 . 16 1 1 A 57 57 ASN HA H 57 4.523 4.518 0.005 1
1 473 . 16 1 1 A 57 57 ASN C C 57 175.371 175.306 0.065 1
1 474 . 16 1 1 A 57 57 ASN CA C 57 54.161 54.592 -0.431 1
1 475 . 16 1 1 A 57 57 ASN CB C 57 36.953 37.177 -0.224 1
1 476 . 16 1 1 A 57 57 ASN N N 57 128.487 127.189 1.298 1
1 478 . 16 1 1 A 58 58 GLY H H 58 9.200 8.438 0.762 1
1 479 . 16 1 1 A 58 58 GLY HA2 H 58 4.080 3.877 0.203 1
1 480 . 16 1 1 A 58 58 GLY HA3 H 58 3.513 3.880 -0.367 1
1 481 . 16 1 1 A 58 58 GLY C C 58 174.149 174.040 0.109 1
1 482 . 16 1 1 A 58 58 GLY CA C 58 45.464 45.339 0.125 1
1 483 . 16 1 1 A 58 58 GLY N N 58 103.720 104.794 -1.074 1
1 484 . 16 1 1 A 59 59 MET H H 59 7.852 8.193 -0.341 1
1 485 . 16 1 1 A 59 59 MET HA H 59 4.801 4.274 0.527 1
1 490 . 16 1 1 A 59 59 MET C C 59 175.661 175.228 0.433 1
1 491 . 16 1 1 A 59 59 MET CA C 59 53.528 54.504 -0.976 1
1 492 . 16 1 1 A 59 59 MET CB C 59 33.623 31.737 1.886 1
1 494 . 16 1 1 A 59 59 MET N N 59 120.479 121.123 -0.644 1
1 495 . 16 1 1 A 60 60 ASP H H 60 8.931 8.622 0.309 1
1 496 . 16 1 1 A 60 60 ASP HA H 60 4.696 4.727 -0.031 1
1 499 . 16 1 1 A 60 60 ASP C C 60 176.608 175.580 1.028 1
1 500 . 16 1 1 A 60 60 ASP CA C 60 55.789 54.671 1.118 1
1 501 . 16 1 1 A 60 60 ASP CB C 60 40.793 41.288 -0.495 1
1 502 . 16 1 1 A 60 60 ASP N N 60 127.746 126.512 1.234 1
1 503 . 16 1 1 A 61 61 VAL H H 61 7.734 8.469 -0.735 1
1 504 . 16 1 1 A 61 61 VAL HA H 61 4.216 4.241 -0.025 1
1 512 . 16 1 1 A 61 61 VAL C C 61 174.993 175.068 -0.075 1
1 513 . 16 1 1 A 61 61 VAL CA C 61 60.816 61.757 -0.941 1
1 514 . 16 1 1 A 61 61 VAL CB C 61 32.006 32.688 -0.682 1
1 517 . 16 1 1 A 61 61 VAL N N 61 117.791 123.374 -5.583 1
1 518 . 16 1 1 A 62 62 ASN H H 62 9.011 8.918 0.093 1
1 519 . 16 1 1 A 62 62 ASN HA H 62 5.044 4.901 0.143 1
1 524 . 16 1 1 A 62 62 ASN C C 62 175.375 175.438 -0.063 1
1 525 . 16 1 1 A 62 62 ASN CA C 62 51.604 51.912 -0.308 1
1 526 . 16 1 1 A 62 62 ASN CB C 62 39.209 37.152 2.057 1
1 527 . 16 1 1 A 62 62 ASN N N 62 124.361 123.967 0.394 1
1 529 . 16 1 1 A 63 63 GLY H H 63 8.699 8.737 -0.038 1
1 530 . 16 1 1 A 63 63 GLY HA2 H 63 4.267 3.790 0.477 1
1 531 . 16 1 1 A 63 63 GLY HA3 H 63 3.760 3.797 -0.037 1
1 532 . 16 1 1 A 63 63 GLY C C 63 173.666 174.842 -1.176 1
1 533 . 16 1 1 A 63 63 GLY CA C 63 47.919 47.331 0.588 1
1 534 . 16 1 1 A 63 63 GLY N N 63 113.974 115.004 -1.030 1
1 535 . 16 1 1 A 64 64 ARG H H 64 8.595 8.301 0.294 1
1 536 . 16 1 1 A 64 64 ARG HA H 64 4.144 4.198 -0.054 1
1 544 . 16 1 1 A 64 64 ARG C C 64 175.001 174.924 0.077 1
1 545 . 16 1 1 A 64 64 ARG CA C 64 55.449 57.247 -1.798 1
1 546 . 16 1 1 A 64 64 ARG CB C 64 31.649 29.617 2.032 1
1 549 . 16 1 1 A 64 64 ARG N N 64 124.516 126.025 -1.509 1
1 551 . 16 1 1 A 65 65 TYR H H 65 7.959 7.621 0.338 1
1 552 . 16 1 1 A 65 65 TYR HA H 65 5.515 5.218 0.297 1
1 559 . 16 1 1 A 65 65 TYR C C 65 176.353 175.863 0.490 1
1 560 . 16 1 1 A 65 65 TYR CA C 65 57.143 56.754 0.389 1
1 561 . 16 1 1 A 65 65 TYR CB C 65 42.338 41.154 1.184 1
1 566 . 16 1 1 A 65 65 TYR N N 65 119.872 118.365 1.507 1
1 567 . 16 1 1 A 66 66 THR H H 66 9.651 8.998 0.653 1
1 568 . 16 1 1 A 66 66 THR HA H 66 4.418 4.442 -0.024 1
1 573 . 16 1 1 A 66 66 THR C C 66 177.773 175.854 1.919 1
1 574 . 16 1 1 A 66 66 THR CA C 66 61.270 61.097 0.173 1
1 575 . 16 1 1 A 66 66 THR CB C 66 71.305 70.646 0.659 1
1 577 . 16 1 1 A 66 66 THR N N 66 111.062 114.603 -3.541 1
1 578 . 16 1 1 A 67 67 ALA H H 67 9.388 8.958 0.430 1
1 579 . 16 1 1 A 67 67 ALA HA H 67 4.109 3.979 0.130 1
1 583 . 16 1 1 A 67 67 ALA C C 67 177.993 179.421 -1.428 1
1 584 . 16 1 1 A 67 67 ALA CA C 67 55.247 55.348 -0.101 1
1 585 . 16 1 1 A 67 67 ALA CB C 67 18.955 18.145 0.810 1
1 586 . 16 1 1 A 67 67 ALA N N 67 125.051 124.144 0.907 1
1 587 . 16 1 1 A 68 68 ASP H H 68 7.980 7.834 0.146 1
1 588 . 16 1 1 A 68 68 ASP HA H 68 4.674 4.564 0.110 1
1 591 . 16 1 1 A 68 68 ASP C C 68 176.691 176.110 0.581 1
1 592 . 16 1 1 A 68 68 ASP CA C 68 52.824 54.763 -1.939 1
1 593 . 16 1 1 A 68 68 ASP CB C 68 39.776 41.309 -1.533 1
1 594 . 16 1 1 A 68 68 ASP N N 68 111.027 116.829 -5.802 1
1 595 . 16 1 1 A 69 69 GLY H H 69 8.052 7.781 0.271 1
1 596 . 16 1 1 A 69 69 GLY HA2 H 69 4.154 3.950 0.204 1
1 597 . 16 1 1 A 69 69 GLY HA3 H 69 3.569 3.986 -0.417 1
1 598 . 16 1 1 A 69 69 GLY C C 69 174.525 174.553 -0.028 1
1 599 . 16 1 1 A 69 69 GLY CA C 69 46.273 44.821 1.452 1
1 600 . 16 1 1 A 69 69 GLY N N 69 107.666 107.473 0.193 1
1 601 . 16 1 1 A 70 70 LYS H H 70 7.816 7.486 0.330 1
1 602 . 16 1 1 A 70 70 LYS HA H 70 4.639 4.311 0.328 1
1 611 . 16 1 1 A 70 70 LYS C C 70 176.713 176.620 0.093 1
1 612 . 16 1 1 A 70 70 LYS CA C 70 54.753 56.618 -1.865 1
1 613 . 16 1 1 A 70 70 LYS CB C 70 32.589 33.388 -0.799 1
1 617 . 16 1 1 A 70 70 LYS N N 70 120.047 120.833 -0.786 1
1 618 . 16 1 1 A 71 71 GLU H H 71 9.375 8.579 0.796 1
1 619 . 16 1 1 A 71 71 GLU HA H 71 4.366 4.505 -0.139 1
1 624 . 16 1 1 A 71 71 GLU C C 71 177.910 177.919 -0.009 1
1 625 . 16 1 1 A 71 71 GLU CA C 71 58.297 56.999 1.298 1
1 626 . 16 1 1 A 71 71 GLU CB C 71 29.572 31.552 -1.980 1
1 628 . 16 1 1 A 71 71 GLU N N 71 124.416 125.246 -0.830 1
1 629 . 16 1 1 A 72 72 VAL H H 72 9.028 8.882 0.146 1
1 630 . 16 1 1 A 72 72 VAL HA H 72 3.258 3.742 -0.484 1
1 638 . 16 1 1 A 72 72 VAL C C 72 177.159 177.181 -0.022 1
1 639 . 16 1 1 A 72 72 VAL CA C 72 67.561 66.909 0.652 1
1 640 . 16 1 1 A 72 72 VAL CB C 72 31.962 31.720 0.242 1
1 643 . 16 1 1 A 72 72 VAL N N 72 128.216 125.502 2.714 1
1 644 . 16 1 1 A 73 73 LEU H H 73 9.223 8.152 1.071 1
1 645 . 16 1 1 A 73 73 LEU HA H 73 3.972 3.922 0.050 1
1 655 . 16 1 1 A 73 73 LEU C C 73 180.513 179.462 1.051 1
1 656 . 16 1 1 A 73 73 LEU CA C 73 58.658 58.170 0.488 1
1 657 . 16 1 1 A 73 73 LEU CB C 73 40.458 40.717 -0.259 1
1 661 . 16 1 1 A 73 73 LEU N N 73 117.712 119.507 -1.795 1
1 662 . 16 1 1 A 74 74 GLU H H 74 7.456 7.982 -0.526 1
1 663 . 16 1 1 A 74 74 GLU HA H 74 4.133 3.993 0.140 1
1 668 . 16 1 1 A 74 74 GLU C C 74 179.695 178.687 1.008 1
1 669 . 16 1 1 A 74 74 GLU CA C 74 59.092 59.475 -0.383 1
1 670 . 16 1 1 A 74 74 GLU CB C 74 29.845 29.380 0.465 1
1 672 . 16 1 1 A 74 74 GLU N N 74 119.823 120.287 -0.464 1
1 673 . 16 1 1 A 75 75 TYR H H 75 8.706 8.494 0.212 1
1 674 . 16 1 1 A 75 75 TYR HA H 75 4.047 4.201 -0.154 1
1 681 . 16 1 1 A 75 75 TYR C C 75 179.408 176.782 2.626 1
1 682 . 16 1 1 A 75 75 TYR CA C 75 62.106 61.661 0.445 1
1 683 . 16 1 1 A 75 75 TYR CB C 75 39.275 38.890 0.385 1
1 688 . 16 1 1 A 75 75 TYR N N 75 123.223 121.238 1.985 1
1 689 . 16 1 1 A 76 76 LEU H H 76 8.586 8.648 -0.062 1
1 690 . 16 1 1 A 76 76 LEU HA H 76 4.458 3.964 0.494 1
1 700 . 16 1 1 A 76 76 LEU C C 76 178.328 179.444 -1.116 1
1 701 . 16 1 1 A 76 76 LEU CA C 76 55.395 57.952 -2.557 1
1 702 . 16 1 1 A 76 76 LEU CB C 76 41.315 41.733 -0.418 1
1 706 . 16 1 1 A 76 76 LEU N N 76 113.641 119.313 -5.672 1
1 707 . 16 1 1 A 77 77 GLY H H 77 7.868 8.083 -0.215 1
1 708 . 16 1 1 A 77 77 GLY HA2 H 77 4.541 3.926 0.615 1
1 709 . 16 1 1 A 77 77 GLY HA3 H 77 3.946 3.940 0.006 1
1 710 . 16 1 1 A 77 77 GLY C C 77 172.507 174.708 -2.201 1
1 711 . 16 1 1 A 77 77 GLY CA C 77 45.274 46.692 -1.418 1
1 712 . 16 1 1 A 77 77 GLY N N 77 108.897 106.539 2.358 1
1 713 . 16 1 1 A 78 78 ASN H H 78 7.108 7.745 -0.637 1
1 714 . 16 1 1 A 78 78 ASN HA H 78 5.208 4.821 0.387 1
1 719 . 16 1 1 A 78 78 ASN C C 78 174.475 175.414 -0.939 1
1 720 . 16 1 1 A 78 78 ASN CA C 78 49.514 51.121 -1.607 1
1 721 . 16 1 1 A 78 78 ASN CB C 78 39.531 39.638 -0.107 1
1 722 . 16 1 1 A 78 78 ASN N N 78 119.451 119.610 -0.159 1
1 724 . 16 1 1 A 79 79 PRO HA H 79 3.589 3.864 -0.275 1
1 731 . 16 1 1 A 79 79 PRO C C 79 177.877 177.110 0.767 1
1 732 . 16 1 1 A 79 79 PRO CA C 79 64.697 63.768 0.929 1
1 733 . 16 1 1 A 79 79 PRO CB C 79 30.935 31.339 -0.404 1
1 736 . 16 1 1 A 80 80 ALA H H 80 7.842 8.177 -0.335 1
1 737 . 16 1 1 A 80 80 ALA HA H 80 4.197 4.123 0.074 1
1 741 . 16 1 1 A 80 80 ALA C C 80 178.566 177.568 0.998 1
1 742 . 16 1 1 A 80 80 ALA CA C 80 53.801 53.962 -0.161 1
1 743 . 16 1 1 A 80 80 ALA CB C 80 18.366 18.338 0.028 1
1 744 . 16 1 1 A 80 80 ALA N N 80 119.231 119.500 -0.269 1
1 745 . 16 1 1 A 81 81 ASN H H 81 7.714 8.031 -0.317 1
1 746 . 16 1 1 A 81 81 ASN HA H 81 4.662 5.024 -0.362 1
1 751 . 16 1 1 A 81 81 ASN C C 81 172.714 175.526 -2.812 1
1 752 . 16 1 1 A 81 81 ASN CA C 81 52.960 52.000 0.960 1
1 753 . 16 1 1 A 81 81 ASN CB C 81 37.946 39.296 -1.350 1
1 754 . 16 1 1 A 81 81 ASN N N 81 113.680 116.563 -2.883 1
1 756 . 16 1 1 A 82 82 TYR H H 82 7.299 7.583 -0.284 1
1 757 . 16 1 1 A 82 82 TYR HA H 82 4.283 4.585 -0.302 1
1 763 . 16 1 1 A 82 82 TYR C C 82 174.383 176.272 -1.889 1
1 764 . 16 1 1 A 82 82 TYR CA C 82 57.061 60.895 -3.834 1
1 765 . 16 1 1 A 82 82 TYR CB C 82 39.447 37.907 1.540 1
1 770 . 16 1 1 A 82 82 TYR N N 82 118.625 121.102 -2.477 1
1 771 . 16 1 1 A 83 83 PRO HA H 83 4.381 4.710 -0.329 1
1 778 . 16 1 1 A 83 83 PRO CA C 83 62.946 62.928 0.018 1
1 779 . 16 1 1 A 83 83 PRO CB C 83 32.088 31.765 0.323 1
1 782 . 16 1 1 A 84 84 VAL HA H 84 4.956 5.086 -0.130 1
1 790 . 16 1 1 A 84 84 VAL CA C 84 59.200 59.520 -0.320 1
1 791 . 16 1 1 A 84 84 VAL CB C 84 35.235 36.449 -1.214 1
1 794 . 16 1 1 A 85 85 SER H H 85 8.491 8.396 0.095 1
1 795 . 16 1 1 A 85 85 SER HA H 85 5.655 5.687 -0.032 1
1 798 . 16 1 1 A 85 85 SER C C 85 174.729 173.319 1.410 1
1 799 . 16 1 1 A 85 85 SER CA C 85 56.679 57.211 -0.532 1
1 800 . 16 1 1 A 85 85 SER CB C 85 64.021 65.725 -1.704 1
1 801 . 16 1 1 A 85 85 SER N N 85 121.531 117.082 4.449 1
1 802 . 16 1 1 A 86 86 ILE H H 86 9.318 9.395 -0.077 1
1 803 . 16 1 1 A 86 86 ILE HA H 86 4.803 5.052 -0.249 1
1 813 . 16 1 1 A 86 86 ILE C C 86 173.918 174.143 -0.225 1
1 814 . 16 1 1 A 86 86 ILE CA C 86 60.802 59.861 0.941 1
1 815 . 16 1 1 A 86 86 ILE CB C 86 41.352 42.363 -1.011 1
1 819 . 16 1 1 A 86 86 ILE N N 86 126.689 123.668 3.021 1
1 820 . 16 1 1 A 88 88 PHE HA H 88 5.866 5.513 0.353 1
1 826 . 16 1 1 A 88 88 PHE C C 88 175.891 175.470 0.421 1
1 827 . 16 1 1 A 88 88 PHE CA C 88 56.349 56.122 0.227 1
1 828 . 16 1 1 A 88 88 PHE CB C 88 44.020 43.675 0.345 1
1 832 . 16 1 1 A 89 89 GLY H H 89 8.913 8.670 0.243 1
1 833 . 16 1 1 A 89 89 GLY HA2 H 89 4.090 4.304 -0.214 1
1 834 . 16 1 1 A 89 89 GLY HA3 H 89 4.090 4.383 -0.293 1
1 835 . 16 1 1 A 89 89 GLY C C 89 171.617 171.737 -0.120 1
1 836 . 16 1 1 A 89 89 GLY CA C 89 45.684 46.266 -0.582 1
1 837 . 16 1 1 A 89 89 GLY N N 89 105.946 108.345 -2.399 1
1 838 . 16 1 1 A 90 90 ARG H H 90 8.880 8.739 0.141 1
1 839 . 16 1 1 A 90 90 ARG HA H 90 4.628 4.621 0.007 1
1 846 . 16 1 1 A 90 90 ARG CA C 90 54.341 53.447 0.894 1
1 847 . 16 1 1 A 90 90 ARG CB C 90 30.326 30.149 0.177 1
1 850 . 16 1 1 A 90 90 ARG N N 90 123.099 122.040 1.059 1
1 851 . 16 1 1 A 91 91 PRO HA H 91 4.390 4.479 -0.089 1
1 858 . 16 1 1 A 91 91 PRO CA C 91 62.994 63.439 -0.445 1
1 859 . 16 1 1 A 91 91 PRO CB C 91 32.136 32.414 -0.278 1
1 862 . 16 1 1 A 92 92 ARG H H 92 8.506 8.803 -0.297 1
1 863 . 16 1 1 A 92 92 ARG HA H 92 4.321 4.032 0.289 1
1 867 . 16 1 1 A 92 92 ARG C C 92 176.279 176.572 -0.293 1
1 868 . 16 1 1 A 92 92 ARG CA C 92 56.320 58.054 -1.734 1
1 869 . 16 1 1 A 92 92 ARG CB C 92 30.937 30.655 0.282 1
1 871 . 16 1 1 A 92 92 ARG N N 92 121.873 123.029 -1.156 1
1 872 . 16 1 1 A 93 93 LEU H H 93 8.537 8.043 0.494 1
1 873 . 16 1 1 A 93 93 LEU HA H 93 4.479 4.227 0.252 1
1 876 . 16 1 1 A 93 93 LEU C C 93 177.444 176.052 1.392 1
1 877 . 16 1 1 A 93 93 LEU CA C 93 55.187 56.562 -1.375 1
1 878 . 16 1 1 A 93 93 LEU CB C 93 42.551 41.946 0.605 1
1 879 . 16 1 1 A 93 93 LEU N N 93 124.440 119.165 5.275 1
1 880 . 16 1 1 A 94 94 THR H H 94 8.183 8.812 -0.629 1
1 881 . 16 1 1 A 94 94 THR HA H 94 4.444 4.034 0.410 1
1 886 . 16 1 1 A 94 94 THR C C 94 174.383 173.913 0.470 1
1 887 . 16 1 1 A 94 94 THR CA C 94 61.515 62.951 -1.436 1
1 888 . 16 1 1 A 94 94 THR CB C 94 70.080 66.639 3.441 1
1 890 . 16 1 1 A 94 94 THR N N 94 114.261 113.309 0.952 1
1 891 . 16 1 1 A 95 95 SER H H 95 8.394 7.871 0.523 1
1 892 . 16 1 1 A 95 95 SER HA H 95 4.502 4.258 0.244 1
1 895 . 16 1 1 A 95 95 SER C C 95 173.465 174.198 -0.733 1
1 896 . 16 1 1 A 95 95 SER CA C 95 58.383 60.660 -2.277 1
1 897 . 16 1 1 A 95 95 SER CB C 95 64.103 63.706 0.397 1
1 898 . 16 1 1 A 95 95 SER N N 95 117.878 117.262 0.616 1
1 1 . 17 1 1 A 2 2 GLY H H 2 8.575 8.374 0.201 1
1 2 . 17 1 1 A 2 2 GLY HA3 H 2 3.941 3.726 0.215 1
1 3 . 17 1 1 A 2 2 GLY CA C 2 45.109 46.200 -1.091 1
1 4 . 17 1 1 A 2 2 GLY N N 2 110.363 110.703 -0.340 1
1 5 . 17 1 1 A 3 3 HIS H H 3 8.398 7.209 1.189 1
1 7 . 17 1 1 A 3 3 HIS CA C 3 55.958 54.328 1.630 1
1 8 . 17 1 1 A 3 3 HIS CB C 3 29.588 32.093 -2.505 1
1 9 . 17 1 1 A 3 3 HIS N N 3 118.248 113.794 4.454 1
1 10 . 17 1 1 A 6 6 HIS HA H 6 4.637 4.339 0.298 1
1 12 . 17 1 1 A 6 6 HIS CA C 6 55.805 58.657 -2.852 1
1 13 . 17 1 1 A 6 6 HIS CB C 6 29.866 29.755 0.111 1
1 14 . 17 1 1 A 7 7 HIS H H 7 8.775 7.518 1.257 1
1 15 . 17 1 1 A 7 7 HIS HA H 7 4.639 5.021 -0.382 1
1 18 . 17 1 1 A 7 7 HIS CA C 7 55.959 54.653 1.306 1
1 19 . 17 1 1 A 7 7 HIS CB C 7 29.834 31.456 -1.622 1
1 20 . 17 1 1 A 7 7 HIS N N 7 120.965 112.664 8.301 1
1 21 . 17 1 1 A 8 8 HIS H H 8 8.591 8.408 0.183 1
1 22 . 17 1 1 A 8 8 HIS HA H 8 4.447 4.042 0.405 1
1 25 . 17 1 1 A 8 8 HIS CA C 8 56.009 55.339 0.670 1
1 26 . 17 1 1 A 8 8 HIS CB C 8 32.890 30.751 2.139 1
1 27 . 17 1 1 A 8 8 HIS N N 8 122.251 117.610 4.641 1
1 28 . 17 1 1 A 9 9 LEU H H 9 8.430 8.882 -0.452 1
1 29 . 17 1 1 A 9 9 LEU HA H 9 4.359 3.801 0.558 1
1 39 . 17 1 1 A 9 9 LEU C C 9 177.241 176.362 0.879 1
1 40 . 17 1 1 A 9 9 LEU CA C 9 55.395 55.691 -0.296 1
1 41 . 17 1 1 A 9 9 LEU CB C 9 42.317 40.739 1.578 1
1 45 . 17 1 1 A 9 9 LEU N N 9 123.074 119.966 3.108 1
1 46 . 17 1 1 A 10 10 ASP H H 10 8.358 7.803 0.555 1
1 47 . 17 1 1 A 10 10 ASP HA H 10 4.606 4.976 -0.370 1
1 50 . 17 1 1 A 10 10 ASP C C 10 176.490 176.777 -0.287 1
1 51 . 17 1 1 A 10 10 ASP CA C 10 54.541 53.050 1.491 1
1 52 . 17 1 1 A 10 10 ASP CB C 10 41.244 41.060 0.184 1
1 53 . 17 1 1 A 10 10 ASP N N 10 121.299 120.520 0.779 1
1 54 . 17 1 1 A 11 11 SER H H 11 8.212 7.637 0.575 1
1 55 . 17 1 1 A 11 11 SER HA H 11 4.367 4.153 0.214 1
1 58 . 17 1 1 A 11 11 SER C C 11 174.210 174.736 -0.526 1
1 59 . 17 1 1 A 11 11 SER CA C 11 58.750 60.592 -1.842 1
1 60 . 17 1 1 A 11 11 SER CB C 11 63.743 63.221 0.522 1
1 61 . 17 1 1 A 11 11 SER N N 11 115.863 114.317 1.546 1
1 62 . 17 1 1 A 12 12 TYR H H 12 8.207 7.637 0.570 1
1 63 . 17 1 1 A 12 12 TYR HA H 12 4.562 4.543 0.019 1
1 70 . 17 1 1 A 12 12 TYR C C 12 175.105 175.734 -0.629 1
1 71 . 17 1 1 A 12 12 TYR CA C 12 57.994 58.785 -0.791 1
1 72 . 17 1 1 A 12 12 TYR CB C 12 38.821 39.105 -0.284 1
1 77 . 17 1 1 A 12 12 TYR N N 12 121.901 121.361 0.540 1
1 78 . 17 1 1 A 13 13 ALA H H 13 8.033 8.755 -0.722 1
1 79 . 17 1 1 A 13 13 ALA HA H 13 4.552 4.593 -0.041 1
1 83 . 17 1 1 A 13 13 ALA C C 13 174.997 177.766 -2.769 1
1 84 . 17 1 1 A 13 13 ALA CA C 13 50.585 53.054 -2.469 1
1 85 . 17 1 1 A 13 13 ALA CB C 13 18.488 22.028 -3.540 1
1 86 . 17 1 1 A 13 13 ALA N N 13 126.839 122.964 3.875 1
1 87 . 17 1 1 A 14 14 PRO HA H 14 4.390 4.497 -0.107 1
1 94 . 17 1 1 A 14 14 PRO C C 14 176.894 176.449 0.445 1
1 95 . 17 1 1 A 14 14 PRO CA C 14 63.199 62.872 0.327 1
1 96 . 17 1 1 A 14 14 PRO CB C 14 32.210 32.273 -0.063 1
1 99 . 17 1 1 A 15 15 ARG H H 15 8.492 8.477 0.015 1
1 100 . 17 1 1 A 15 15 ARG HA H 15 4.357 4.495 -0.138 1
1 104 . 17 1 1 A 15 15 ARG C C 15 176.040 174.671 1.369 1
1 105 . 17 1 1 A 15 15 ARG CA C 15 56.029 55.324 0.705 1
1 106 . 17 1 1 A 15 15 ARG CB C 15 31.097 29.026 2.071 1
1 108 . 17 1 1 A 15 15 ARG N N 15 121.148 122.969 -1.821 1
1 109 . 17 1 1 A 16 16 ALA H H 16 8.511 7.452 1.059 1
1 110 . 17 1 1 A 16 16 ALA HA H 16 4.352 5.003 -0.651 1
1 114 . 17 1 1 A 16 16 ALA C C 16 177.569 175.948 1.621 1
1 115 . 17 1 1 A 16 16 ALA CA C 16 52.771 50.734 2.037 1
1 116 . 17 1 1 A 16 16 ALA CB C 16 19.291 23.915 -4.624 1
1 117 . 17 1 1 A 16 16 ALA N N 16 125.410 123.474 1.936 1
1 118 . 17 1 1 A 17 17 GLU H H 17 8.513 8.420 0.093 1
1 119 . 17 1 1 A 17 17 GLU HA H 17 4.681 4.645 0.036 1
1 124 . 17 1 1 A 17 17 GLU C C 17 176.040 176.142 -0.102 1
1 125 . 17 1 1 A 17 17 GLU CA C 17 56.240 54.587 1.653 1
1 126 . 17 1 1 A 17 17 GLU CB C 17 31.430 31.488 -0.058 1
1 128 . 17 1 1 A 17 17 GLU N N 17 120.135 117.990 2.145 1
1 129 . 17 1 1 A 20 20 LYS HA H 20 4.642 4.802 -0.160 1
1 132 . 17 1 1 A 20 20 LYS C C 20 174.395 175.830 -1.435 1
1 133 . 17 1 1 A 20 20 LYS CA C 20 55.041 54.443 0.598 1
1 134 . 17 1 1 A 20 20 LYS CB C 20 36.603 36.453 0.150 1
1 135 . 17 1 1 A 21 21 THR H H 21 8.278 8.209 0.069 1
1 136 . 17 1 1 A 21 21 THR HA H 21 5.185 4.608 0.577 1
1 141 . 17 1 1 A 21 21 THR C C 21 174.123 173.863 0.260 1
1 142 . 17 1 1 A 21 21 THR CA C 21 62.206 61.570 0.636 1
1 143 . 17 1 1 A 21 21 THR CB C 21 69.740 69.964 -0.224 1
1 145 . 17 1 1 A 21 21 THR N N 21 118.285 112.922 5.363 1
1 146 . 17 1 1 A 22 22 PHE H H 22 9.552 9.236 0.316 1
1 147 . 17 1 1 A 22 22 PHE HA H 22 4.934 5.095 -0.161 1
1 155 . 17 1 1 A 22 22 PHE CA C 22 57.809 55.748 2.061 1
1 156 . 17 1 1 A 22 22 PHE CB C 22 43.018 44.110 -1.092 1
1 162 . 17 1 1 A 22 22 PHE N N 22 125.884 120.984 4.900 1
1 163 . 17 1 1 A 23 23 SER H H 23 8.489 8.668 -0.179 1
1 164 . 17 1 1 A 23 23 SER HA H 23 4.874 5.008 -0.134 1
1 167 . 17 1 1 A 23 23 SER CA C 23 57.308 57.225 0.083 1
1 168 . 17 1 1 A 23 23 SER CB C 23 65.134 67.502 -2.368 1
1 169 . 17 1 1 A 23 23 SER N N 23 116.064 114.943 1.121 1
1 170 . 17 1 1 A 24 24 TYR H H 24 8.561 8.518 0.043 1
1 171 . 17 1 1 A 24 24 TYR HA H 24 3.787 4.779 -0.992 1
1 178 . 17 1 1 A 24 24 TYR CA C 24 55.942 55.597 0.345 1
1 179 . 17 1 1 A 24 24 TYR CB C 24 39.190 41.098 -1.908 1
1 184 . 17 1 1 A 24 24 TYR N N 24 120.614 118.901 1.713 1
1 185 . 17 1 1 A 25 25 PRO HA H 25 3.195 4.690 -1.495 1
1 192 . 17 1 1 A 25 25 PRO CA C 25 61.641 62.898 -1.257 1
1 193 . 17 1 1 A 25 25 PRO CB C 25 33.950 33.170 0.780 1
1 196 . 17 1 1 A 29 29 LEU HA H 29 4.651 4.798 -0.147 1
1 199 . 17 1 1 A 29 29 LEU C C 29 175.676 174.263 1.413 1
1 200 . 17 1 1 A 29 29 LEU CA C 29 54.443 54.730 -0.287 1
1 201 . 17 1 1 A 29 29 LEU CB C 29 43.096 46.034 -2.938 1
1 204 . 17 1 1 A 30 30 LEU H H 30 8.665 8.957 -0.292 1
1 205 . 17 1 1 A 30 30 LEU HA H 30 5.369 5.413 -0.044 1
1 212 . 17 1 1 A 30 30 LEU C C 30 176.370 174.697 1.673 1
1 213 . 17 1 1 A 30 30 LEU CA C 30 53.005 53.631 -0.626 1
1 214 . 17 1 1 A 30 30 LEU CB C 30 43.867 45.880 -2.013 1
1 217 . 17 1 1 A 30 30 LEU N N 30 126.293 128.084 -1.791 1
1 218 . 17 1 1 A 31 31 LYS H H 31 9.288 9.020 0.268 1
1 219 . 17 1 1 A 31 31 LYS HA H 31 4.664 4.977 -0.313 1
1 228 . 17 1 1 A 31 31 LYS C C 31 173.995 174.450 -0.455 1
1 229 . 17 1 1 A 31 31 LYS CA C 31 54.758 54.399 0.359 1
1 230 . 17 1 1 A 31 31 LYS CB C 31 37.173 36.217 0.956 1
1 234 . 17 1 1 A 31 31 LYS N N 31 119.484 120.041 -0.557 1
1 235 . 17 1 1 A 32 32 LEU H H 32 8.724 8.510 0.214 1
1 236 . 17 1 1 A 32 32 LEU HA H 32 4.972 4.776 0.196 1
1 246 . 17 1 1 A 32 32 LEU C C 32 177.274 175.660 1.614 1
1 247 . 17 1 1 A 32 32 LEU CA C 32 54.494 54.396 0.098 1
1 248 . 17 1 1 A 32 32 LEU CB C 32 43.119 43.905 -0.786 1
1 252 . 17 1 1 A 32 32 LEU N N 32 124.082 123.720 0.362 1
1 253 . 17 1 1 A 33 33 HIS H H 33 9.361 9.316 0.045 1
1 254 . 17 1 1 A 33 33 HIS HA H 33 4.698 4.872 -0.174 1
1 257 . 17 1 1 A 33 33 HIS C C 33 174.092 173.859 0.233 1
1 258 . 17 1 1 A 33 33 HIS CA C 33 56.497 55.826 0.671 1
1 259 . 17 1 1 A 33 33 HIS CB C 33 32.274 33.640 -1.366 1
1 260 . 17 1 1 A 33 33 HIS N N 33 125.743 125.465 0.278 1
1 261 . 17 1 1 A 34 34 ASP H H 34 9.134 9.257 -0.123 1
1 262 . 17 1 1 A 34 34 ASP HA H 34 4.146 3.996 0.150 1
1 265 . 17 1 1 A 34 34 ASP C C 34 174.644 175.067 -0.423 1
1 266 . 17 1 1 A 34 34 ASP CA C 34 55.976 54.928 1.048 1
1 267 . 17 1 1 A 34 34 ASP CB C 34 39.179 39.289 -0.110 1
1 268 . 17 1 1 A 34 34 ASP N N 34 128.890 127.095 1.795 1
1 269 . 17 1 1 A 35 35 GLU H H 35 8.648 8.551 0.097 1
1 270 . 17 1 1 A 35 35 GLU HA H 35 3.681 3.862 -0.181 1
1 275 . 17 1 1 A 35 35 GLU C C 35 174.234 174.788 -0.554 1
1 276 . 17 1 1 A 35 35 GLU CA C 35 57.346 57.934 -0.588 1
1 277 . 17 1 1 A 35 35 GLU CB C 35 27.735 27.713 0.022 1
1 279 . 17 1 1 A 35 35 GLU N N 35 109.734 110.065 -0.331 1
1 280 . 17 1 1 A 36 36 ARG H H 36 7.710 7.760 -0.050 1
1 281 . 17 1 1 A 36 36 ARG HA H 36 4.515 4.864 -0.349 1
1 285 . 17 1 1 A 36 36 ARG C C 36 174.063 174.843 -0.780 1
1 286 . 17 1 1 A 36 36 ARG CA C 36 54.212 54.239 -0.027 1
1 287 . 17 1 1 A 36 36 ARG CB C 36 33.371 33.415 -0.044 1
1 289 . 17 1 1 A 36 36 ARG N N 36 116.091 118.828 -2.737 1
1 290 . 17 1 1 A 37 37 VAL H H 37 8.803 8.473 0.330 1
1 291 . 17 1 1 A 37 37 VAL HA H 37 4.375 4.595 -0.220 1
1 299 . 17 1 1 A 37 37 VAL C C 37 174.388 175.224 -0.836 1
1 300 . 17 1 1 A 37 37 VAL CA C 37 62.620 62.730 -0.110 1
1 301 . 17 1 1 A 37 37 VAL CB C 37 31.484 31.596 -0.112 1
1 304 . 17 1 1 A 37 37 VAL N N 37 122.430 122.897 -0.467 1
1 305 . 17 1 1 A 38 38 LEU H H 38 8.966 9.072 -0.106 1
1 306 . 17 1 1 A 38 38 LEU HA H 38 5.495 5.314 0.181 1
1 316 . 17 1 1 A 38 38 LEU C C 38 177.365 175.919 1.446 1
1 317 . 17 1 1 A 38 38 LEU CA C 38 52.624 53.423 -0.799 1
1 318 . 17 1 1 A 38 38 LEU CB C 38 46.189 45.316 0.873 1
1 322 . 17 1 1 A 38 38 LEU N N 38 125.739 128.175 -2.436 1
1 323 . 17 1 1 A 39 39 VAL H H 39 8.899 9.294 -0.395 1
1 324 . 17 1 1 A 39 39 VAL HA H 39 4.006 3.904 0.102 1
1 332 . 17 1 1 A 39 39 VAL C C 39 176.380 175.900 0.480 1
1 333 . 17 1 1 A 39 39 VAL CA C 39 63.763 63.066 0.697 1
1 334 . 17 1 1 A 39 39 VAL CB C 39 31.629 30.631 0.998 1
1 337 . 17 1 1 A 39 39 VAL N N 39 119.125 122.975 -3.850 1
1 338 . 17 1 1 A 40 40 ALA H H 40 9.755 8.883 0.872 1
1 339 . 17 1 1 A 40 40 ALA HA H 40 4.533 4.227 0.306 1
1 343 . 17 1 1 A 40 40 ALA C C 40 176.636 177.386 -0.750 1
1 344 . 17 1 1 A 40 40 ALA CA C 40 52.536 53.896 -1.360 1
1 345 . 17 1 1 A 40 40 ALA CB C 40 20.860 19.718 1.142 1
1 346 . 17 1 1 A 40 40 ALA N N 40 133.618 130.178 3.440 1
1 347 . 17 1 1 A 41 41 PHE H H 41 7.761 7.582 0.179 1
1 348 . 17 1 1 A 41 41 PHE HA H 41 4.299 4.711 -0.412 1
1 353 . 17 1 1 A 41 41 PHE C C 41 172.990 174.185 -1.195 1
1 354 . 17 1 1 A 41 41 PHE CA C 41 59.306 56.826 2.480 1
1 355 . 17 1 1 A 41 41 PHE CB C 41 42.621 42.525 0.096 1
1 358 . 17 1 1 A 41 41 PHE N N 41 117.497 117.168 0.329 1
1 359 . 17 1 1 A 42 42 GLY H H 42 7.709 7.762 -0.053 1
1 360 . 17 1 1 A 42 42 GLY HA2 H 42 4.190 3.880 0.310 1
1 361 . 17 1 1 A 42 42 GLY HA3 H 42 3.327 3.926 -0.599 1
1 362 . 17 1 1 A 42 42 GLY C C 42 171.542 174.179 -2.637 1
1 363 . 17 1 1 A 42 42 GLY CA C 42 44.310 45.268 -0.958 1
1 364 . 17 1 1 A 42 42 GLY N N 42 114.790 113.688 1.102 1
1 365 . 17 1 1 A 43 43 GLN HA H 43 4.366 4.590 -0.224 1
1 372 . 17 1 1 A 43 43 GLN CA C 43 55.207 54.631 0.576 1
1 373 . 17 1 1 A 43 43 GLN CB C 43 30.347 29.427 0.920 1
1 376 . 17 1 1 A 49 49 VAL HA H 49 3.386 4.007 -0.621 1
1 384 . 17 1 1 A 49 49 VAL C C 49 177.680 176.126 1.554 1
1 385 . 17 1 1 A 49 49 VAL CA C 49 64.730 62.514 2.216 1
1 386 . 17 1 1 A 49 49 VAL CB C 49 31.489 32.576 -1.087 1
1 389 . 17 1 1 A 50 50 GLY H H 50 9.040 9.063 -0.023 1
1 390 . 17 1 1 A 50 50 GLY HA2 H 50 4.505 3.861 0.644 1
1 391 . 17 1 1 A 50 50 GLY HA3 H 50 3.562 3.888 -0.326 1
1 392 . 17 1 1 A 50 50 GLY C C 50 175.034 174.469 0.565 1
1 393 . 17 1 1 A 50 50 GLY CA C 50 44.901 45.127 -0.226 1
1 394 . 17 1 1 A 50 50 GLY N N 50 115.994 112.695 3.299 1
1 395 . 17 1 1 A 51 51 HIS H H 51 8.228 7.719 0.509 1
1 396 . 17 1 1 A 51 51 HIS HA H 51 4.614 4.574 0.040 1
1 400 . 17 1 1 A 51 51 HIS C C 51 174.681 174.614 0.067 1
1 401 . 17 1 1 A 51 51 HIS CA C 51 57.434 56.843 0.591 1
1 402 . 17 1 1 A 51 51 HIS CB C 51 32.934 29.945 2.989 1
1 404 . 17 1 1 A 51 51 HIS N N 51 120.280 118.512 1.768 1
1 405 . 17 1 1 A 52 52 ALA H H 52 9.229 8.778 0.451 1
1 406 . 17 1 1 A 52 52 ALA HA H 52 5.587 4.714 0.873 1
1 410 . 17 1 1 A 52 52 ALA C C 52 177.988 177.729 0.259 1
1 411 . 17 1 1 A 52 52 ALA CA C 52 50.053 51.323 -1.270 1
1 412 . 17 1 1 A 52 52 ALA CB C 52 22.023 19.756 2.267 1
1 413 . 17 1 1 A 52 52 ALA N N 52 121.598 125.739 -4.141 1
1 414 . 17 1 1 A 53 53 VAL HA H 53 3.473 4.160 -0.687 1
1 422 . 17 1 1 A 53 53 VAL C C 53 175.227 175.912 -0.685 1
1 423 . 17 1 1 A 53 53 VAL CA C 53 63.914 63.418 0.496 1
1 424 . 17 1 1 A 53 53 VAL CB C 53 32.339 32.248 0.091 1
1 427 . 17 1 1 A 54 54 LEU H H 54 9.067 9.392 -0.325 1
1 428 . 17 1 1 A 54 54 LEU HA H 54 4.599 4.609 -0.010 1
1 434 . 17 1 1 A 54 54 LEU C C 54 178.208 176.667 1.541 1
1 435 . 17 1 1 A 54 54 LEU CA C 54 55.084 55.806 -0.722 1
1 436 . 17 1 1 A 54 54 LEU CB C 54 43.490 43.829 -0.339 1
1 439 . 17 1 1 A 54 54 LEU N N 54 126.184 127.034 -0.850 1
1 440 . 17 1 1 A 55 55 ALA H H 55 7.665 7.642 0.023 1
1 441 . 17 1 1 A 55 55 ALA HA H 55 4.889 4.970 -0.081 1
1 445 . 17 1 1 A 55 55 ALA C C 55 175.085 175.261 -0.176 1
1 446 . 17 1 1 A 55 55 ALA CA C 55 52.600 51.634 0.966 1
1 447 . 17 1 1 A 55 55 ALA CB C 55 21.847 22.775 -0.928 1
1 448 . 17 1 1 A 55 55 ALA N N 55 119.807 117.101 2.706 1
1 449 . 17 1 1 A 56 56 ILE H H 56 8.209 8.782 -0.573 1
1 450 . 17 1 1 A 56 56 ILE HA H 56 4.643 4.759 -0.116 1
1 460 . 17 1 1 A 56 56 ILE C C 56 176.001 176.216 -0.215 1
1 461 . 17 1 1 A 56 56 ILE CA C 56 59.817 59.836 -0.019 1
1 462 . 17 1 1 A 56 56 ILE CB C 56 41.035 40.808 0.227 1
1 466 . 17 1 1 A 56 56 ILE N N 56 119.114 118.633 0.481 1
1 467 . 17 1 1 A 57 57 ASN H H 57 10.090 9.462 0.628 1
1 468 . 17 1 1 A 57 57 ASN HA H 57 4.523 4.531 -0.008 1
1 473 . 17 1 1 A 57 57 ASN C C 57 175.371 175.608 -0.237 1
1 474 . 17 1 1 A 57 57 ASN CA C 57 54.161 54.070 0.091 1
1 475 . 17 1 1 A 57 57 ASN CB C 57 36.953 36.434 0.519 1
1 476 . 17 1 1 A 57 57 ASN N N 57 128.487 125.434 3.053 1
1 478 . 17 1 1 A 58 58 GLY H H 58 9.200 8.275 0.925 1
1 479 . 17 1 1 A 58 58 GLY HA2 H 58 4.080 3.899 0.181 1
1 480 . 17 1 1 A 58 58 GLY HA3 H 58 3.513 3.901 -0.388 1
1 481 . 17 1 1 A 58 58 GLY C C 58 174.149 174.272 -0.123 1
1 482 . 17 1 1 A 58 58 GLY CA C 58 45.464 44.776 0.688 1
1 483 . 17 1 1 A 58 58 GLY N N 58 103.720 109.029 -5.309 1
1 484 . 17 1 1 A 59 59 MET H H 59 7.852 7.957 -0.105 1
1 485 . 17 1 1 A 59 59 MET HA H 59 4.801 4.344 0.457 1
1 490 . 17 1 1 A 59 59 MET C C 59 175.661 175.436 0.225 1
1 491 . 17 1 1 A 59 59 MET CA C 59 53.528 54.692 -1.164 1
1 492 . 17 1 1 A 59 59 MET CB C 59 33.623 31.899 1.724 1
1 494 . 17 1 1 A 59 59 MET N N 59 120.479 120.841 -0.362 1
1 495 . 17 1 1 A 60 60 ASP H H 60 8.931 8.525 0.406 1
1 496 . 17 1 1 A 60 60 ASP HA H 60 4.696 4.809 -0.113 1
1 499 . 17 1 1 A 60 60 ASP C C 60 176.608 175.644 0.964 1
1 500 . 17 1 1 A 60 60 ASP CA C 60 55.789 54.907 0.882 1
1 501 . 17 1 1 A 60 60 ASP CB C 60 40.793 41.499 -0.706 1
1 502 . 17 1 1 A 60 60 ASP N N 60 127.746 125.608 2.138 1
1 503 . 17 1 1 A 61 61 VAL H H 61 7.734 9.017 -1.283 1
1 504 . 17 1 1 A 61 61 VAL HA H 61 4.216 4.688 -0.472 1
1 512 . 17 1 1 A 61 61 VAL C C 61 174.993 174.583 0.410 1
1 513 . 17 1 1 A 61 61 VAL CA C 61 60.816 60.677 0.139 1
1 514 . 17 1 1 A 61 61 VAL CB C 61 32.006 33.440 -1.434 1
1 517 . 17 1 1 A 61 61 VAL N N 61 117.791 120.773 -2.982 1
1 518 . 17 1 1 A 62 62 ASN H H 62 9.011 9.045 -0.034 1
1 519 . 17 1 1 A 62 62 ASN HA H 62 5.044 4.904 0.140 1
1 524 . 17 1 1 A 62 62 ASN C C 62 175.375 175.912 -0.537 1
1 525 . 17 1 1 A 62 62 ASN CA C 62 51.604 52.301 -0.697 1
1 526 . 17 1 1 A 62 62 ASN CB C 62 39.209 37.368 1.841 1
1 527 . 17 1 1 A 62 62 ASN N N 62 124.361 124.361 0.000 1
1 529 . 17 1 1 A 63 63 GLY H H 63 8.699 8.872 -0.173 1
1 530 . 17 1 1 A 63 63 GLY HA2 H 63 4.267 3.882 0.385 1
1 531 . 17 1 1 A 63 63 GLY HA3 H 63 3.760 3.893 -0.133 1
1 532 . 17 1 1 A 63 63 GLY C C 63 173.666 174.387 -0.721 1
1 533 . 17 1 1 A 63 63 GLY CA C 63 47.919 47.199 0.720 1
1 534 . 17 1 1 A 63 63 GLY N N 63 113.974 114.877 -0.903 1
1 535 . 17 1 1 A 64 64 ARG H H 64 8.595 8.375 0.220 1
1 536 . 17 1 1 A 64 64 ARG HA H 64 4.144 4.438 -0.294 1
1 544 . 17 1 1 A 64 64 ARG C C 64 175.001 174.950 0.051 1
1 545 . 17 1 1 A 64 64 ARG CA C 64 55.449 55.378 0.071 1
1 546 . 17 1 1 A 64 64 ARG CB C 64 31.649 31.168 0.481 1
1 549 . 17 1 1 A 64 64 ARG N N 64 124.516 120.563 3.953 1
1 551 . 17 1 1 A 65 65 TYR H H 65 7.959 7.623 0.336 1
1 552 . 17 1 1 A 65 65 TYR HA H 65 5.515 5.470 0.045 1
1 559 . 17 1 1 A 65 65 TYR C C 65 176.353 175.968 0.385 1
1 560 . 17 1 1 A 65 65 TYR CA C 65 57.143 56.609 0.534 1
1 561 . 17 1 1 A 65 65 TYR CB C 65 42.338 42.498 -0.160 1
1 566 . 17 1 1 A 65 65 TYR N N 65 119.872 119.018 0.854 1
1 567 . 17 1 1 A 66 66 THR H H 66 9.651 8.983 0.668 1
1 568 . 17 1 1 A 66 66 THR HA H 66 4.418 4.515 -0.097 1
1 573 . 17 1 1 A 66 66 THR C C 66 177.773 176.125 1.648 1
1 574 . 17 1 1 A 66 66 THR CA C 66 61.270 61.258 0.012 1
1 575 . 17 1 1 A 66 66 THR CB C 66 71.305 70.774 0.531 1
1 577 . 17 1 1 A 66 66 THR N N 66 111.062 115.472 -4.410 1
1 578 . 17 1 1 A 67 67 ALA H H 67 9.388 9.023 0.365 1
1 579 . 17 1 1 A 67 67 ALA HA H 67 4.109 4.009 0.100 1
1 583 . 17 1 1 A 67 67 ALA C C 67 177.993 179.506 -1.513 1
1 584 . 17 1 1 A 67 67 ALA CA C 67 55.247 55.395 -0.148 1
1 585 . 17 1 1 A 67 67 ALA CB C 67 18.955 18.268 0.687 1
1 586 . 17 1 1 A 67 67 ALA N N 67 125.051 124.354 0.697 1
1 587 . 17 1 1 A 68 68 ASP H H 68 7.980 7.936 0.044 1
1 588 . 17 1 1 A 68 68 ASP HA H 68 4.674 4.590 0.084 1
1 591 . 17 1 1 A 68 68 ASP C C 68 176.691 176.175 0.516 1
1 592 . 17 1 1 A 68 68 ASP CA C 68 52.824 54.748 -1.924 1
1 593 . 17 1 1 A 68 68 ASP CB C 68 39.776 41.249 -1.473 1
1 594 . 17 1 1 A 68 68 ASP N N 68 111.027 116.940 -5.913 1
1 595 . 17 1 1 A 69 69 GLY H H 69 8.052 7.869 0.183 1
1 596 . 17 1 1 A 69 69 GLY HA2 H 69 4.154 4.082 0.072 1
1 597 . 17 1 1 A 69 69 GLY HA3 H 69 3.569 4.118 -0.549 1
1 598 . 17 1 1 A 69 69 GLY C C 69 174.525 174.676 -0.151 1
1 599 . 17 1 1 A 69 69 GLY CA C 69 46.273 44.938 1.335 1
1 600 . 17 1 1 A 69 69 GLY N N 69 107.666 107.556 0.110 1
1 601 . 17 1 1 A 70 70 LYS H H 70 7.816 7.664 0.152 1
1 602 . 17 1 1 A 70 70 LYS HA H 70 4.639 4.381 0.258 1
1 611 . 17 1 1 A 70 70 LYS C C 70 176.713 176.746 -0.033 1
1 612 . 17 1 1 A 70 70 LYS CA C 70 54.753 56.789 -2.036 1
1 613 . 17 1 1 A 70 70 LYS CB C 70 32.589 33.525 -0.936 1
1 617 . 17 1 1 A 70 70 LYS N N 70 120.047 120.694 -0.647 1
1 618 . 17 1 1 A 71 71 GLU H H 71 9.375 8.585 0.790 1
1 619 . 17 1 1 A 71 71 GLU HA H 71 4.366 4.238 0.128 1
1 624 . 17 1 1 A 71 71 GLU C C 71 177.910 177.734 0.176 1
1 625 . 17 1 1 A 71 71 GLU CA C 71 58.297 56.916 1.381 1
1 626 . 17 1 1 A 71 71 GLU CB C 71 29.572 31.477 -1.905 1
1 628 . 17 1 1 A 71 71 GLU N N 71 124.416 125.244 -0.828 1
1 629 . 17 1 1 A 72 72 VAL H H 72 9.028 8.808 0.220 1
1 630 . 17 1 1 A 72 72 VAL HA H 72 3.258 3.704 -0.446 1
1 638 . 17 1 1 A 72 72 VAL C C 72 177.159 177.230 -0.071 1
1 639 . 17 1 1 A 72 72 VAL CA C 72 67.561 66.714 0.847 1
1 640 . 17 1 1 A 72 72 VAL CB C 72 31.962 31.490 0.472 1
1 643 . 17 1 1 A 72 72 VAL N N 72 128.216 125.772 2.444 1
1 644 . 17 1 1 A 73 73 LEU H H 73 9.223 8.137 1.086 1
1 645 . 17 1 1 A 73 73 LEU HA H 73 3.972 3.928 0.044 1
1 655 . 17 1 1 A 73 73 LEU C C 73 180.513 179.466 1.047 1
1 656 . 17 1 1 A 73 73 LEU CA C 73 58.658 58.147 0.511 1
1 657 . 17 1 1 A 73 73 LEU CB C 73 40.458 41.045 -0.587 1
1 661 . 17 1 1 A 73 73 LEU N N 73 117.712 119.921 -2.209 1
1 662 . 17 1 1 A 74 74 GLU H H 74 7.456 8.340 -0.884 1
1 663 . 17 1 1 A 74 74 GLU HA H 74 4.133 3.938 0.195 1
1 668 . 17 1 1 A 74 74 GLU C C 74 179.695 178.422 1.273 1
1 669 . 17 1 1 A 74 74 GLU CA C 74 59.092 59.565 -0.473 1
1 670 . 17 1 1 A 74 74 GLU CB C 74 29.845 29.478 0.367 1
1 672 . 17 1 1 A 74 74 GLU N N 74 119.823 120.110 -0.287 1
1 673 . 17 1 1 A 75 75 TYR H H 75 8.706 8.455 0.251 1
1 674 . 17 1 1 A 75 75 TYR HA H 75 4.047 4.257 -0.210 1
1 681 . 17 1 1 A 75 75 TYR C C 75 179.408 177.178 2.230 1
1 682 . 17 1 1 A 75 75 TYR CA C 75 62.106 61.507 0.599 1
1 683 . 17 1 1 A 75 75 TYR CB C 75 39.275 38.608 0.667 1
1 688 . 17 1 1 A 75 75 TYR N N 75 123.223 121.124 2.099 1
1 689 . 17 1 1 A 76 76 LEU H H 76 8.586 9.041 -0.455 1
1 690 . 17 1 1 A 76 76 LEU HA H 76 4.458 4.016 0.442 1
1 700 . 17 1 1 A 76 76 LEU C C 76 178.328 179.822 -1.494 1
1 701 . 17 1 1 A 76 76 LEU CA C 76 55.395 57.869 -2.474 1
1 702 . 17 1 1 A 76 76 LEU CB C 76 41.315 41.402 -0.087 1
1 706 . 17 1 1 A 76 76 LEU N N 76 113.641 118.588 -4.947 1
1 707 . 17 1 1 A 77 77 GLY H H 77 7.868 8.205 -0.337 1
1 708 . 17 1 1 A 77 77 GLY HA2 H 77 4.541 4.001 0.540 1
1 709 . 17 1 1 A 77 77 GLY HA3 H 77 3.946 4.050 -0.104 1
1 710 . 17 1 1 A 77 77 GLY C C 77 172.507 174.236 -1.729 1
1 711 . 17 1 1 A 77 77 GLY CA C 77 45.274 46.055 -0.781 1
1 712 . 17 1 1 A 77 77 GLY N N 77 108.897 106.775 2.122 1
1 713 . 17 1 1 A 78 78 ASN H H 78 7.108 7.819 -0.711 1
1 714 . 17 1 1 A 78 78 ASN HA H 78 5.208 4.879 0.329 1
1 719 . 17 1 1 A 78 78 ASN C C 78 174.475 174.731 -0.256 1
1 720 . 17 1 1 A 78 78 ASN CA C 78 49.514 50.483 -0.969 1
1 721 . 17 1 1 A 78 78 ASN CB C 78 39.531 39.441 0.090 1
1 722 . 17 1 1 A 78 78 ASN N N 78 119.451 120.588 -1.137 1
1 724 . 17 1 1 A 79 79 PRO HA H 79 3.589 2.916 0.673 1
1 731 . 17 1 1 A 79 79 PRO C C 79 177.877 177.106 0.771 1
1 732 . 17 1 1 A 79 79 PRO CA C 79 64.697 63.661 1.036 1
1 733 . 17 1 1 A 79 79 PRO CB C 79 30.935 31.057 -0.122 1
1 736 . 17 1 1 A 80 80 ALA H H 80 7.842 8.013 -0.171 1
1 737 . 17 1 1 A 80 80 ALA HA H 80 4.197 4.096 0.101 1
1 741 . 17 1 1 A 80 80 ALA C C 80 178.566 177.689 0.877 1
1 742 . 17 1 1 A 80 80 ALA CA C 80 53.801 53.818 -0.017 1
1 743 . 17 1 1 A 80 80 ALA CB C 80 18.366 18.291 0.075 1
1 744 . 17 1 1 A 80 80 ALA N N 80 119.231 118.951 0.280 1
1 745 . 17 1 1 A 81 81 ASN H H 81 7.714 7.917 -0.203 1
1 746 . 17 1 1 A 81 81 ASN HA H 81 4.662 5.073 -0.411 1
1 751 . 17 1 1 A 81 81 ASN C C 81 172.714 176.073 -3.359 1
1 752 . 17 1 1 A 81 81 ASN CA C 81 52.960 51.841 1.119 1
1 753 . 17 1 1 A 81 81 ASN CB C 81 37.946 38.593 -0.647 1
1 754 . 17 1 1 A 81 81 ASN N N 81 113.680 113.196 0.484 1
1 756 . 17 1 1 A 82 82 TYR H H 82 7.299 7.797 -0.498 1
1 757 . 17 1 1 A 82 82 TYR HA H 82 4.283 4.444 -0.161 1
1 763 . 17 1 1 A 82 82 TYR C C 82 174.383 176.385 -2.002 1
1 764 . 17 1 1 A 82 82 TYR CA C 82 57.061 60.804 -3.743 1
1 765 . 17 1 1 A 82 82 TYR CB C 82 39.447 37.371 2.076 1
1 770 . 17 1 1 A 82 82 TYR N N 82 118.625 120.678 -2.053 1
1 771 . 17 1 1 A 83 83 PRO HA H 83 4.381 4.815 -0.434 1
1 778 . 17 1 1 A 83 83 PRO CA C 83 62.946 62.856 0.090 1
1 779 . 17 1 1 A 83 83 PRO CB C 83 32.088 31.721 0.367 1
1 782 . 17 1 1 A 84 84 VAL HA H 84 4.956 4.996 -0.040 1
1 790 . 17 1 1 A 84 84 VAL CA C 84 59.200 59.547 -0.347 1
1 791 . 17 1 1 A 84 84 VAL CB C 84 35.235 36.288 -1.053 1
1 794 . 17 1 1 A 85 85 SER H H 85 8.491 8.801 -0.310 1
1 795 . 17 1 1 A 85 85 SER HA H 85 5.655 5.085 0.570 1
1 798 . 17 1 1 A 85 85 SER C C 85 174.729 173.949 0.780 1
1 799 . 17 1 1 A 85 85 SER CA C 85 56.679 58.701 -2.022 1
1 800 . 17 1 1 A 85 85 SER CB C 85 64.021 63.770 0.251 1
1 801 . 17 1 1 A 85 85 SER N N 85 121.531 119.284 2.247 1
1 802 . 17 1 1 A 86 86 ILE H H 86 9.318 9.020 0.298 1
1 803 . 17 1 1 A 86 86 ILE HA H 86 4.803 5.086 -0.283 1
1 813 . 17 1 1 A 86 86 ILE C C 86 173.918 174.871 -0.953 1
1 814 . 17 1 1 A 86 86 ILE CA C 86 60.802 59.940 0.862 1
1 815 . 17 1 1 A 86 86 ILE CB C 86 41.352 42.471 -1.119 1
1 819 . 17 1 1 A 86 86 ILE N N 86 126.689 123.368 3.321 1
1 820 . 17 1 1 A 88 88 PHE HA H 88 5.866 5.459 0.407 1
1 826 . 17 1 1 A 88 88 PHE C C 88 175.891 173.648 2.243 1
1 827 . 17 1 1 A 88 88 PHE CA C 88 56.349 55.593 0.756 1
1 828 . 17 1 1 A 88 88 PHE CB C 88 44.020 42.853 1.167 1
1 832 . 17 1 1 A 89 89 GLY H H 89 8.913 8.734 0.179 1
1 833 . 17 1 1 A 89 89 GLY HA2 H 89 4.090 4.296 -0.206 1
1 834 . 17 1 1 A 89 89 GLY HA3 H 89 4.090 4.384 -0.294 1
1 835 . 17 1 1 A 89 89 GLY C C 89 171.617 172.125 -0.508 1
1 836 . 17 1 1 A 89 89 GLY CA C 89 45.684 45.923 -0.239 1
1 837 . 17 1 1 A 89 89 GLY N N 89 105.946 105.878 0.068 1
1 838 . 17 1 1 A 90 90 ARG H H 90 8.880 8.751 0.129 1
1 839 . 17 1 1 A 90 90 ARG HA H 90 4.628 4.592 0.036 1
1 846 . 17 1 1 A 90 90 ARG CA C 90 54.341 54.814 -0.473 1
1 847 . 17 1 1 A 90 90 ARG CB C 90 30.326 29.480 0.846 1
1 850 . 17 1 1 A 90 90 ARG N N 90 123.099 120.354 2.745 1
1 851 . 17 1 1 A 91 91 PRO HA H 91 4.390 4.579 -0.189 1
1 858 . 17 1 1 A 91 91 PRO CA C 91 62.994 62.954 0.040 1
1 859 . 17 1 1 A 91 91 PRO CB C 91 32.136 32.675 -0.539 1
1 862 . 17 1 1 A 92 92 ARG H H 92 8.506 9.106 -0.600 1
1 863 . 17 1 1 A 92 92 ARG HA H 92 4.321 4.070 0.251 1
1 867 . 17 1 1 A 92 92 ARG C C 92 176.279 176.185 0.094 1
1 868 . 17 1 1 A 92 92 ARG CA C 92 56.320 57.931 -1.611 1
1 869 . 17 1 1 A 92 92 ARG CB C 92 30.937 30.547 0.390 1
1 871 . 17 1 1 A 92 92 ARG N N 92 121.873 121.849 0.024 1
1 872 . 17 1 1 A 93 93 LEU H H 93 8.537 7.362 1.175 1
1 873 . 17 1 1 A 93 93 LEU HA H 93 4.479 4.719 -0.240 1
1 876 . 17 1 1 A 93 93 LEU C C 93 177.444 176.987 0.457 1
1 877 . 17 1 1 A 93 93 LEU CA C 93 55.187 52.703 2.484 1
1 878 . 17 1 1 A 93 93 LEU CB C 93 42.551 44.777 -2.226 1
1 879 . 17 1 1 A 93 93 LEU N N 93 124.440 115.262 9.178 1
1 880 . 17 1 1 A 94 94 THR H H 94 8.183 9.042 -0.859 1
1 881 . 17 1 1 A 94 94 THR HA H 94 4.444 4.071 0.373 1
1 886 . 17 1 1 A 94 94 THR C C 94 174.383 175.404 -1.021 1
1 887 . 17 1 1 A 94 94 THR CA C 94 61.515 65.393 -3.878 1
1 888 . 17 1 1 A 94 94 THR CB C 94 70.080 69.026 1.054 1
1 890 . 17 1 1 A 94 94 THR N N 94 114.261 114.596 -0.335 1
1 891 . 17 1 1 A 95 95 SER H H 95 8.394 7.709 0.685 1
1 892 . 17 1 1 A 95 95 SER HA H 95 4.502 4.307 0.195 1
1 895 . 17 1 1 A 95 95 SER C C 95 173.465 174.942 -1.477 1
1 896 . 17 1 1 A 95 95 SER CA C 95 58.383 60.417 -2.034 1
1 897 . 17 1 1 A 95 95 SER CB C 95 64.103 63.721 0.382 1
1 898 . 17 1 1 A 95 95 SER N N 95 117.878 118.213 -0.335 1
1 1 . 18 1 1 A 2 2 GLY H H 2 8.575 8.317 0.258 1
1 2 . 18 1 1 A 2 2 GLY HA3 H 2 3.941 4.315 -0.374 1
1 3 . 18 1 1 A 2 2 GLY CA C 2 45.109 45.754 -0.645 1
1 4 . 18 1 1 A 2 2 GLY N N 2 110.363 110.776 -0.413 1
1 5 . 18 1 1 A 3 3 HIS H H 3 8.398 9.086 -0.688 1
1 7 . 18 1 1 A 3 3 HIS CA C 3 55.958 58.552 -2.594 1
1 8 . 18 1 1 A 3 3 HIS CB C 3 29.588 29.175 0.413 1
1 9 . 18 1 1 A 3 3 HIS N N 3 118.248 118.390 -0.142 1
1 10 . 18 1 1 A 6 6 HIS HA H 6 4.637 4.144 0.493 1
1 12 . 18 1 1 A 6 6 HIS CA C 6 55.805 58.650 -2.845 1
1 13 . 18 1 1 A 6 6 HIS CB C 6 29.866 30.113 -0.247 1
1 14 . 18 1 1 A 7 7 HIS H H 7 8.775 7.883 0.892 1
1 15 . 18 1 1 A 7 7 HIS HA H 7 4.639 4.039 0.600 1
1 18 . 18 1 1 A 7 7 HIS CA C 7 55.959 56.749 -0.790 1
1 19 . 18 1 1 A 7 7 HIS CB C 7 29.834 26.697 3.137 1
1 20 . 18 1 1 A 7 7 HIS N N 7 120.965 116.923 4.042 1
1 21 . 18 1 1 A 8 8 HIS H H 8 8.591 7.784 0.807 1
1 22 . 18 1 1 A 8 8 HIS HA H 8 4.447 4.624 -0.177 1
1 25 . 18 1 1 A 8 8 HIS CA C 8 56.009 55.703 0.306 1
1 26 . 18 1 1 A 8 8 HIS CB C 8 32.890 31.747 1.143 1
1 27 . 18 1 1 A 8 8 HIS N N 8 122.251 117.011 5.240 1
1 28 . 18 1 1 A 9 9 LEU H H 9 8.430 7.764 0.666 1
1 29 . 18 1 1 A 9 9 LEU HA H 9 4.359 4.157 0.202 1
1 39 . 18 1 1 A 9 9 LEU C C 9 177.241 175.645 1.596 1
1 40 . 18 1 1 A 9 9 LEU CA C 9 55.395 53.802 1.593 1
1 41 . 18 1 1 A 9 9 LEU CB C 9 42.317 43.705 -1.388 1
1 45 . 18 1 1 A 9 9 LEU N N 9 123.074 119.560 3.514 1
1 46 . 18 1 1 A 10 10 ASP H H 10 8.358 8.488 -0.130 1
1 47 . 18 1 1 A 10 10 ASP HA H 10 4.606 5.415 -0.809 1
1 50 . 18 1 1 A 10 10 ASP C C 10 176.490 175.065 1.425 1
1 51 . 18 1 1 A 10 10 ASP CA C 10 54.541 52.878 1.663 1
1 52 . 18 1 1 A 10 10 ASP CB C 10 41.244 44.219 -2.975 1
1 53 . 18 1 1 A 10 10 ASP N N 10 121.299 120.842 0.457 1
1 54 . 18 1 1 A 11 11 SER H H 11 8.212 8.725 -0.513 1
1 55 . 18 1 1 A 11 11 SER HA H 11 4.367 4.860 -0.493 1
1 58 . 18 1 1 A 11 11 SER C C 11 174.210 174.256 -0.046 1
1 59 . 18 1 1 A 11 11 SER CA C 11 58.750 56.623 2.127 1
1 60 . 18 1 1 A 11 11 SER CB C 11 63.743 65.941 -2.198 1
1 61 . 18 1 1 A 11 11 SER N N 11 115.863 118.592 -2.729 1
1 62 . 18 1 1 A 12 12 TYR H H 12 8.207 8.725 -0.518 1
1 63 . 18 1 1 A 12 12 TYR HA H 12 4.562 4.444 0.118 1
1 70 . 18 1 1 A 12 12 TYR C C 12 175.105 177.355 -2.250 1
1 71 . 18 1 1 A 12 12 TYR CA C 12 57.994 59.385 -1.391 1
1 72 . 18 1 1 A 12 12 TYR CB C 12 38.821 38.021 0.800 1
1 77 . 18 1 1 A 12 12 TYR N N 12 121.901 120.571 1.330 1
1 78 . 18 1 1 A 13 13 ALA H H 13 8.033 7.045 0.988 1
1 79 . 18 1 1 A 13 13 ALA HA H 13 4.552 4.083 0.469 1
1 83 . 18 1 1 A 13 13 ALA C C 13 174.997 178.230 -3.233 1
1 84 . 18 1 1 A 13 13 ALA CA C 13 50.585 56.331 -5.746 1
1 85 . 18 1 1 A 13 13 ALA CB C 13 18.488 17.490 0.998 1
1 86 . 18 1 1 A 13 13 ALA N N 13 126.839 122.945 3.894 1
1 87 . 18 1 1 A 14 14 PRO HA H 14 4.390 4.574 -0.184 1
1 94 . 18 1 1 A 14 14 PRO C C 14 176.894 175.372 1.522 1
1 95 . 18 1 1 A 14 14 PRO CA C 14 63.199 62.921 0.278 1
1 96 . 18 1 1 A 14 14 PRO CB C 14 32.210 32.390 -0.180 1
1 99 . 18 1 1 A 15 15 ARG H H 15 8.492 9.172 -0.680 1
1 100 . 18 1 1 A 15 15 ARG HA H 15 4.357 4.761 -0.404 1
1 104 . 18 1 1 A 15 15 ARG C C 15 176.040 174.378 1.662 1
1 105 . 18 1 1 A 15 15 ARG CA C 15 56.029 55.067 0.962 1
1 106 . 18 1 1 A 15 15 ARG CB C 15 31.097 33.935 -2.838 1
1 108 . 18 1 1 A 15 15 ARG N N 15 121.148 124.768 -3.620 1
1 109 . 18 1 1 A 16 16 ALA H H 16 8.511 8.602 -0.091 1
1 110 . 18 1 1 A 16 16 ALA HA H 16 4.352 4.412 -0.060 1
1 114 . 18 1 1 A 16 16 ALA C C 16 177.569 177.821 -0.252 1
1 115 . 18 1 1 A 16 16 ALA CA C 16 52.771 52.098 0.673 1
1 116 . 18 1 1 A 16 16 ALA CB C 16 19.291 19.630 -0.339 1
1 117 . 18 1 1 A 16 16 ALA N N 16 125.410 126.781 -1.371 1
1 118 . 18 1 1 A 17 17 GLU H H 17 8.513 9.036 -0.523 1
1 119 . 18 1 1 A 17 17 GLU HA H 17 4.681 3.961 0.720 1
1 124 . 18 1 1 A 17 17 GLU C C 17 176.040 175.569 0.471 1
1 125 . 18 1 1 A 17 17 GLU CA C 17 56.240 57.282 -1.042 1
1 126 . 18 1 1 A 17 17 GLU CB C 17 31.430 27.772 3.658 1
1 128 . 18 1 1 A 17 17 GLU N N 17 120.135 115.854 4.281 1
1 129 . 18 1 1 A 20 20 LYS HA H 20 4.642 4.550 0.092 1
1 132 . 18 1 1 A 20 20 LYS C C 20 174.395 174.173 0.222 1
1 133 . 18 1 1 A 20 20 LYS CA C 20 55.041 55.371 -0.330 1
1 134 . 18 1 1 A 20 20 LYS CB C 20 36.603 36.621 -0.018 1
1 135 . 18 1 1 A 21 21 THR H H 21 8.278 8.298 -0.020 1
1 136 . 18 1 1 A 21 21 THR HA H 21 5.185 4.718 0.467 1
1 141 . 18 1 1 A 21 21 THR C C 21 174.123 173.889 0.234 1
1 142 . 18 1 1 A 21 21 THR CA C 21 62.206 61.614 0.592 1
1 143 . 18 1 1 A 21 21 THR CB C 21 69.740 69.980 -0.240 1
1 145 . 18 1 1 A 21 21 THR N N 21 118.285 115.535 2.750 1
1 146 . 18 1 1 A 22 22 PHE H H 22 9.552 9.170 0.382 1
1 147 . 18 1 1 A 22 22 PHE HA H 22 4.934 5.139 -0.205 1
1 155 . 18 1 1 A 22 22 PHE CA C 22 57.809 55.902 1.907 1
1 156 . 18 1 1 A 22 22 PHE CB C 22 43.018 44.119 -1.101 1
1 162 . 18 1 1 A 22 22 PHE N N 22 125.884 121.034 4.850 1
1 163 . 18 1 1 A 23 23 SER H H 23 8.489 8.917 -0.428 1
1 164 . 18 1 1 A 23 23 SER HA H 23 4.874 5.294 -0.420 1
1 167 . 18 1 1 A 23 23 SER CA C 23 57.308 57.446 -0.138 1
1 168 . 18 1 1 A 23 23 SER CB C 23 65.134 67.561 -2.427 1
1 169 . 18 1 1 A 23 23 SER N N 23 116.064 114.894 1.170 1
1 170 . 18 1 1 A 24 24 TYR H H 24 8.561 8.583 -0.022 1
1 171 . 18 1 1 A 24 24 TYR HA H 24 3.787 4.679 -0.892 1
1 178 . 18 1 1 A 24 24 TYR CA C 24 55.942 55.591 0.351 1
1 179 . 18 1 1 A 24 24 TYR CB C 24 39.190 40.816 -1.626 1
1 184 . 18 1 1 A 24 24 TYR N N 24 120.614 118.914 1.700 1
1 185 . 18 1 1 A 25 25 PRO HA H 25 3.195 4.545 -1.350 1
1 192 . 18 1 1 A 25 25 PRO CA C 25 61.641 63.150 -1.509 1
1 193 . 18 1 1 A 25 25 PRO CB C 25 33.950 32.575 1.375 1
1 196 . 18 1 1 A 29 29 LEU HA H 29 4.651 5.107 -0.456 1
1 199 . 18 1 1 A 29 29 LEU C C 29 175.676 176.104 -0.428 1
1 200 . 18 1 1 A 29 29 LEU CA C 29 54.443 53.829 0.614 1
1 201 . 18 1 1 A 29 29 LEU CB C 29 43.096 46.466 -3.370 1
1 204 . 18 1 1 A 30 30 LEU H H 30 8.665 8.712 -0.047 1
1 205 . 18 1 1 A 30 30 LEU HA H 30 5.369 5.484 -0.115 1
1 212 . 18 1 1 A 30 30 LEU C C 30 176.370 174.955 1.415 1
1 213 . 18 1 1 A 30 30 LEU CA C 30 53.005 53.824 -0.819 1
1 214 . 18 1 1 A 30 30 LEU CB C 30 43.867 46.011 -2.144 1
1 217 . 18 1 1 A 30 30 LEU N N 30 126.293 122.008 4.285 1
1 218 . 18 1 1 A 31 31 LYS H H 31 9.288 9.106 0.182 1
1 219 . 18 1 1 A 31 31 LYS HA H 31 4.664 5.030 -0.366 1
1 228 . 18 1 1 A 31 31 LYS C C 31 173.995 174.182 -0.187 1
1 229 . 18 1 1 A 31 31 LYS CA C 31 54.758 54.284 0.474 1
1 230 . 18 1 1 A 31 31 LYS CB C 31 37.173 36.396 0.777 1
1 234 . 18 1 1 A 31 31 LYS N N 31 119.484 119.695 -0.211 1
1 235 . 18 1 1 A 32 32 LEU H H 32 8.724 8.833 -0.109 1
1 236 . 18 1 1 A 32 32 LEU HA H 32 4.972 5.139 -0.167 1
1 246 . 18 1 1 A 32 32 LEU C C 32 177.274 175.142 2.132 1
1 247 . 18 1 1 A 32 32 LEU CA C 32 54.494 53.443 1.051 1
1 248 . 18 1 1 A 32 32 LEU CB C 32 43.119 44.531 -1.412 1
1 252 . 18 1 1 A 32 32 LEU N N 32 124.082 123.087 0.995 1
1 253 . 18 1 1 A 33 33 HIS H H 33 9.361 9.159 0.202 1
1 254 . 18 1 1 A 33 33 HIS HA H 33 4.698 4.840 -0.142 1
1 257 . 18 1 1 A 33 33 HIS C C 33 174.092 173.932 0.160 1
1 258 . 18 1 1 A 33 33 HIS CA C 33 56.497 55.775 0.722 1
1 259 . 18 1 1 A 33 33 HIS CB C 33 32.274 33.754 -1.480 1
1 260 . 18 1 1 A 33 33 HIS N N 33 125.743 125.134 0.609 1
1 261 . 18 1 1 A 34 34 ASP H H 34 9.134 9.078 0.056 1
1 262 . 18 1 1 A 34 34 ASP HA H 34 4.146 3.957 0.189 1
1 265 . 18 1 1 A 34 34 ASP C C 34 174.644 175.012 -0.368 1
1 266 . 18 1 1 A 34 34 ASP CA C 34 55.976 54.895 1.081 1
1 267 . 18 1 1 A 34 34 ASP CB C 34 39.179 39.326 -0.147 1
1 268 . 18 1 1 A 34 34 ASP N N 34 128.890 126.554 2.336 1
1 269 . 18 1 1 A 35 35 GLU H H 35 8.648 8.478 0.170 1
1 270 . 18 1 1 A 35 35 GLU HA H 35 3.681 3.755 -0.074 1
1 275 . 18 1 1 A 35 35 GLU C C 35 174.234 174.496 -0.262 1
1 276 . 18 1 1 A 35 35 GLU CA C 35 57.346 57.837 -0.491 1
1 277 . 18 1 1 A 35 35 GLU CB C 35 27.735 27.537 0.198 1
1 279 . 18 1 1 A 35 35 GLU N N 35 109.734 110.276 -0.542 1
1 280 . 18 1 1 A 36 36 ARG H H 36 7.710 7.683 0.027 1
1 281 . 18 1 1 A 36 36 ARG HA H 36 4.515 4.953 -0.438 1
1 285 . 18 1 1 A 36 36 ARG C C 36 174.063 174.699 -0.636 1
1 286 . 18 1 1 A 36 36 ARG CA C 36 54.212 54.184 0.028 1
1 287 . 18 1 1 A 36 36 ARG CB C 36 33.371 33.033 0.338 1
1 289 . 18 1 1 A 36 36 ARG N N 36 116.091 118.532 -2.441 1
1 290 . 18 1 1 A 37 37 VAL H H 37 8.803 8.551 0.252 1
1 291 . 18 1 1 A 37 37 VAL HA H 37 4.375 4.684 -0.309 1
1 299 . 18 1 1 A 37 37 VAL C C 37 174.388 175.465 -1.077 1
1 300 . 18 1 1 A 37 37 VAL CA C 37 62.620 62.450 0.170 1
1 301 . 18 1 1 A 37 37 VAL CB C 37 31.484 31.675 -0.191 1
1 304 . 18 1 1 A 37 37 VAL N N 37 122.430 122.817 -0.387 1
1 305 . 18 1 1 A 38 38 LEU H H 38 8.966 8.938 0.028 1
1 306 . 18 1 1 A 38 38 LEU HA H 38 5.495 5.282 0.213 1
1 316 . 18 1 1 A 38 38 LEU C C 38 177.365 176.258 1.107 1
1 317 . 18 1 1 A 38 38 LEU CA C 38 52.624 53.405 -0.781 1
1 318 . 18 1 1 A 38 38 LEU CB C 38 46.189 45.457 0.732 1
1 322 . 18 1 1 A 38 38 LEU N N 38 125.739 127.876 -2.137 1
1 323 . 18 1 1 A 39 39 VAL H H 39 8.899 9.204 -0.305 1
1 324 . 18 1 1 A 39 39 VAL HA H 39 4.006 3.975 0.031 1
1 332 . 18 1 1 A 39 39 VAL C C 39 176.380 176.173 0.207 1
1 333 . 18 1 1 A 39 39 VAL CA C 39 63.763 63.446 0.317 1
1 334 . 18 1 1 A 39 39 VAL CB C 39 31.629 31.328 0.301 1
1 337 . 18 1 1 A 39 39 VAL N N 39 119.125 122.521 -3.396 1
1 338 . 18 1 1 A 40 40 ALA H H 40 9.755 8.949 0.806 1
1 339 . 18 1 1 A 40 40 ALA HA H 40 4.533 4.101 0.432 1
1 343 . 18 1 1 A 40 40 ALA C C 40 176.636 176.581 0.055 1
1 344 . 18 1 1 A 40 40 ALA CA C 40 52.536 53.812 -1.276 1
1 345 . 18 1 1 A 40 40 ALA CB C 40 20.860 20.079 0.781 1
1 346 . 18 1 1 A 40 40 ALA N N 40 133.618 129.895 3.723 1
1 347 . 18 1 1 A 41 41 PHE H H 41 7.761 7.440 0.321 1
1 348 . 18 1 1 A 41 41 PHE HA H 41 4.299 4.911 -0.612 1
1 353 . 18 1 1 A 41 41 PHE C C 41 172.990 175.597 -2.607 1
1 354 . 18 1 1 A 41 41 PHE CA C 41 59.306 56.912 2.394 1
1 355 . 18 1 1 A 41 41 PHE CB C 41 42.621 43.484 -0.863 1
1 358 . 18 1 1 A 41 41 PHE N N 41 117.497 112.834 4.663 1
1 359 . 18 1 1 A 42 42 GLY H H 42 7.709 8.476 -0.767 1
1 360 . 18 1 1 A 42 42 GLY HA2 H 42 4.190 3.905 0.285 1
1 361 . 18 1 1 A 42 42 GLY HA3 H 42 3.327 3.951 -0.624 1
1 362 . 18 1 1 A 42 42 GLY C C 42 171.542 175.110 -3.568 1
1 363 . 18 1 1 A 42 42 GLY CA C 42 44.310 45.353 -1.043 1
1 364 . 18 1 1 A 42 42 GLY N N 42 114.790 110.514 4.276 1
1 365 . 18 1 1 A 43 43 GLN HA H 43 4.366 3.918 0.448 1
1 372 . 18 1 1 A 43 43 GLN CA C 43 55.207 58.744 -3.537 1
1 373 . 18 1 1 A 43 43 GLN CB C 43 30.347 27.824 2.523 1
1 376 . 18 1 1 A 49 49 VAL HA H 49 3.386 3.490 -0.104 1
1 384 . 18 1 1 A 49 49 VAL C C 49 177.680 177.293 0.387 1
1 385 . 18 1 1 A 49 49 VAL CA C 49 64.730 65.078 -0.348 1
1 386 . 18 1 1 A 49 49 VAL CB C 49 31.489 31.500 -0.011 1
1 389 . 18 1 1 A 50 50 GLY H H 50 9.040 8.802 0.238 1
1 390 . 18 1 1 A 50 50 GLY HA2 H 50 4.505 3.794 0.711 1
1 391 . 18 1 1 A 50 50 GLY HA3 H 50 3.562 3.862 -0.300 1
1 392 . 18 1 1 A 50 50 GLY C C 50 175.034 174.132 0.902 1
1 393 . 18 1 1 A 50 50 GLY CA C 50 44.901 45.167 -0.266 1
1 394 . 18 1 1 A 50 50 GLY N N 50 115.994 114.682 1.312 1
1 395 . 18 1 1 A 51 51 HIS H H 51 8.228 7.523 0.705 1
1 396 . 18 1 1 A 51 51 HIS HA H 51 4.614 4.421 0.193 1
1 400 . 18 1 1 A 51 51 HIS C C 51 174.681 175.261 -0.580 1
1 401 . 18 1 1 A 51 51 HIS CA C 51 57.434 56.561 0.873 1
1 402 . 18 1 1 A 51 51 HIS CB C 51 32.934 30.820 2.114 1
1 404 . 18 1 1 A 51 51 HIS N N 51 120.280 119.868 0.412 1
1 405 . 18 1 1 A 52 52 ALA H H 52 9.229 9.229 0.000 1
1 406 . 18 1 1 A 52 52 ALA HA H 52 5.587 5.063 0.524 1
1 410 . 18 1 1 A 52 52 ALA C C 52 177.988 177.766 0.222 1
1 411 . 18 1 1 A 52 52 ALA CA C 52 50.053 50.473 -0.420 1
1 412 . 18 1 1 A 52 52 ALA CB C 52 22.023 20.943 1.080 1
1 413 . 18 1 1 A 52 52 ALA N N 52 121.598 123.962 -2.364 1
1 414 . 18 1 1 A 53 53 VAL HA H 53 3.473 3.617 -0.144 1
1 422 . 18 1 1 A 53 53 VAL C C 53 175.227 175.766 -0.539 1
1 423 . 18 1 1 A 53 53 VAL CA C 53 63.914 63.408 0.506 1
1 424 . 18 1 1 A 53 53 VAL CB C 53 32.339 32.016 0.323 1
1 427 . 18 1 1 A 54 54 LEU H H 54 9.067 9.131 -0.064 1
1 428 . 18 1 1 A 54 54 LEU HA H 54 4.599 4.468 0.131 1
1 434 . 18 1 1 A 54 54 LEU C C 54 178.208 176.467 1.741 1
1 435 . 18 1 1 A 54 54 LEU CA C 54 55.084 55.798 -0.714 1
1 436 . 18 1 1 A 54 54 LEU CB C 54 43.490 43.512 -0.022 1
1 439 . 18 1 1 A 54 54 LEU N N 54 126.184 127.152 -0.968 1
1 440 . 18 1 1 A 55 55 ALA H H 55 7.665 7.386 0.279 1
1 441 . 18 1 1 A 55 55 ALA HA H 55 4.889 4.861 0.028 1
1 445 . 18 1 1 A 55 55 ALA C C 55 175.085 175.070 0.015 1
1 446 . 18 1 1 A 55 55 ALA CA C 55 52.600 51.532 1.068 1
1 447 . 18 1 1 A 55 55 ALA CB C 55 21.847 22.785 -0.938 1
1 448 . 18 1 1 A 55 55 ALA N N 55 119.807 116.432 3.375 1
1 449 . 18 1 1 A 56 56 ILE H H 56 8.209 8.626 -0.417 1
1 450 . 18 1 1 A 56 56 ILE HA H 56 4.643 4.674 -0.031 1
1 460 . 18 1 1 A 56 56 ILE C C 56 176.001 175.889 0.112 1
1 461 . 18 1 1 A 56 56 ILE CA C 56 59.817 59.971 -0.154 1
1 462 . 18 1 1 A 56 56 ILE CB C 56 41.035 40.498 0.537 1
1 466 . 18 1 1 A 56 56 ILE N N 56 119.114 118.578 0.536 1
1 467 . 18 1 1 A 57 57 ASN H H 57 10.090 9.776 0.314 1
1 468 . 18 1 1 A 57 57 ASN HA H 57 4.523 4.480 0.043 1
1 473 . 18 1 1 A 57 57 ASN C C 57 175.371 175.266 0.105 1
1 474 . 18 1 1 A 57 57 ASN CA C 57 54.161 54.531 -0.370 1
1 475 . 18 1 1 A 57 57 ASN CB C 57 36.953 36.958 -0.005 1
1 476 . 18 1 1 A 57 57 ASN N N 57 128.487 127.252 1.235 1
1 478 . 18 1 1 A 58 58 GLY H H 58 9.200 8.369 0.831 1
1 479 . 18 1 1 A 58 58 GLY HA2 H 58 4.080 3.841 0.239 1
1 480 . 18 1 1 A 58 58 GLY HA3 H 58 3.513 3.844 -0.331 1
1 481 . 18 1 1 A 58 58 GLY C C 58 174.149 173.922 0.227 1
1 482 . 18 1 1 A 58 58 GLY CA C 58 45.464 45.274 0.190 1
1 483 . 18 1 1 A 58 58 GLY N N 58 103.720 104.650 -0.930 1
1 484 . 18 1 1 A 59 59 MET H H 59 7.852 8.143 -0.291 1
1 485 . 18 1 1 A 59 59 MET HA H 59 4.801 4.265 0.536 1
1 490 . 18 1 1 A 59 59 MET C C 59 175.661 175.260 0.401 1
1 491 . 18 1 1 A 59 59 MET CA C 59 53.528 54.468 -0.940 1
1 492 . 18 1 1 A 59 59 MET CB C 59 33.623 31.692 1.931 1
1 494 . 18 1 1 A 59 59 MET N N 59 120.479 120.994 -0.515 1
1 495 . 18 1 1 A 60 60 ASP H H 60 8.931 8.617 0.314 1
1 496 . 18 1 1 A 60 60 ASP HA H 60 4.696 4.658 0.038 1
1 499 . 18 1 1 A 60 60 ASP C C 60 176.608 175.476 1.132 1
1 500 . 18 1 1 A 60 60 ASP CA C 60 55.789 54.819 0.970 1
1 501 . 18 1 1 A 60 60 ASP CB C 60 40.793 41.215 -0.422 1
1 502 . 18 1 1 A 60 60 ASP N N 60 127.746 126.365 1.381 1
1 503 . 18 1 1 A 61 61 VAL H H 61 7.734 8.387 -0.653 1
1 504 . 18 1 1 A 61 61 VAL HA H 61 4.216 4.294 -0.078 1
1 512 . 18 1 1 A 61 61 VAL C C 61 174.993 174.921 0.072 1
1 513 . 18 1 1 A 61 61 VAL CA C 61 60.816 61.489 -0.673 1
1 514 . 18 1 1 A 61 61 VAL CB C 61 32.006 32.666 -0.660 1
1 517 . 18 1 1 A 61 61 VAL N N 61 117.791 123.198 -5.407 1
1 518 . 18 1 1 A 62 62 ASN H H 62 9.011 9.022 -0.011 1
1 519 . 18 1 1 A 62 62 ASN HA H 62 5.044 4.908 0.136 1
1 524 . 18 1 1 A 62 62 ASN C C 62 175.375 175.802 -0.427 1
1 525 . 18 1 1 A 62 62 ASN CA C 62 51.604 52.124 -0.520 1
1 526 . 18 1 1 A 62 62 ASN CB C 62 39.209 37.364 1.845 1
1 527 . 18 1 1 A 62 62 ASN N N 62 124.361 124.310 0.051 1
1 529 . 18 1 1 A 63 63 GLY H H 63 8.699 8.762 -0.063 1
1 530 . 18 1 1 A 63 63 GLY HA2 H 63 4.267 3.865 0.402 1
1 531 . 18 1 1 A 63 63 GLY HA3 H 63 3.760 3.884 -0.124 1
1 532 . 18 1 1 A 63 63 GLY C C 63 173.666 174.027 -0.361 1
1 533 . 18 1 1 A 63 63 GLY CA C 63 47.919 45.962 1.957 1
1 534 . 18 1 1 A 63 63 GLY N N 63 113.974 114.661 -0.687 1
1 535 . 18 1 1 A 64 64 ARG H H 64 8.595 8.310 0.285 1
1 536 . 18 1 1 A 64 64 ARG HA H 64 4.144 4.390 -0.246 1
1 544 . 18 1 1 A 64 64 ARG C C 64 175.001 174.600 0.401 1
1 545 . 18 1 1 A 64 64 ARG CA C 64 55.449 55.412 0.037 1
1 546 . 18 1 1 A 64 64 ARG CB C 64 31.649 31.932 -0.283 1
1 549 . 18 1 1 A 64 64 ARG N N 64 124.516 118.385 6.131 1
1 551 . 18 1 1 A 65 65 TYR H H 65 7.959 7.619 0.340 1
1 552 . 18 1 1 A 65 65 TYR HA H 65 5.515 5.366 0.149 1
1 559 . 18 1 1 A 65 65 TYR C C 65 176.353 175.928 0.425 1
1 560 . 18 1 1 A 65 65 TYR CA C 65 57.143 56.729 0.414 1
1 561 . 18 1 1 A 65 65 TYR CB C 65 42.338 41.677 0.661 1
1 566 . 18 1 1 A 65 65 TYR N N 65 119.872 118.572 1.300 1
1 567 . 18 1 1 A 66 66 THR H H 66 9.651 9.008 0.643 1
1 568 . 18 1 1 A 66 66 THR HA H 66 4.418 4.448 -0.030 1
1 573 . 18 1 1 A 66 66 THR C C 66 177.773 175.923 1.850 1
1 574 . 18 1 1 A 66 66 THR CA C 66 61.270 61.129 0.141 1
1 575 . 18 1 1 A 66 66 THR CB C 66 71.305 70.705 0.600 1
1 577 . 18 1 1 A 66 66 THR N N 66 111.062 114.618 -3.556 1
1 578 . 18 1 1 A 67 67 ALA H H 67 9.388 8.972 0.416 1
1 579 . 18 1 1 A 67 67 ALA HA H 67 4.109 3.992 0.117 1
1 583 . 18 1 1 A 67 67 ALA C C 67 177.993 179.472 -1.479 1
1 584 . 18 1 1 A 67 67 ALA CA C 67 55.247 55.361 -0.114 1
1 585 . 18 1 1 A 67 67 ALA CB C 67 18.955 18.177 0.778 1
1 586 . 18 1 1 A 67 67 ALA N N 67 125.051 124.183 0.868 1
1 587 . 18 1 1 A 68 68 ASP H H 68 7.980 7.867 0.113 1
1 588 . 18 1 1 A 68 68 ASP HA H 68 4.674 4.587 0.087 1
1 591 . 18 1 1 A 68 68 ASP C C 68 176.691 176.137 0.554 1
1 592 . 18 1 1 A 68 68 ASP CA C 68 52.824 54.633 -1.809 1
1 593 . 18 1 1 A 68 68 ASP CB C 68 39.776 41.244 -1.468 1
1 594 . 18 1 1 A 68 68 ASP N N 68 111.027 116.179 -5.152 1
1 595 . 18 1 1 A 69 69 GLY H H 69 8.052 7.778 0.274 1
1 596 . 18 1 1 A 69 69 GLY HA2 H 69 4.154 4.010 0.144 1
1 597 . 18 1 1 A 69 69 GLY HA3 H 69 3.569 4.051 -0.482 1
1 598 . 18 1 1 A 69 69 GLY C C 69 174.525 174.520 0.005 1
1 599 . 18 1 1 A 69 69 GLY CA C 69 46.273 44.850 1.423 1
1 600 . 18 1 1 A 69 69 GLY N N 69 107.666 107.482 0.184 1
1 601 . 18 1 1 A 70 70 LYS H H 70 7.816 7.657 0.159 1
1 602 . 18 1 1 A 70 70 LYS HA H 70 4.639 4.353 0.286 1
1 611 . 18 1 1 A 70 70 LYS C C 70 176.713 176.608 0.105 1
1 612 . 18 1 1 A 70 70 LYS CA C 70 54.753 56.607 -1.854 1
1 613 . 18 1 1 A 70 70 LYS CB C 70 32.589 33.503 -0.914 1
1 617 . 18 1 1 A 70 70 LYS N N 70 120.047 120.642 -0.595 1
1 618 . 18 1 1 A 71 71 GLU H H 71 9.375 8.592 0.783 1
1 619 . 18 1 1 A 71 71 GLU HA H 71 4.366 4.538 -0.172 1
1 624 . 18 1 1 A 71 71 GLU C C 71 177.910 178.028 -0.118 1
1 625 . 18 1 1 A 71 71 GLU CA C 71 58.297 57.099 1.198 1
1 626 . 18 1 1 A 71 71 GLU CB C 71 29.572 31.668 -2.096 1
1 628 . 18 1 1 A 71 71 GLU N N 71 124.416 125.214 -0.798 1
1 629 . 18 1 1 A 72 72 VAL H H 72 9.028 8.787 0.241 1
1 630 . 18 1 1 A 72 72 VAL HA H 72 3.258 3.712 -0.454 1
1 638 . 18 1 1 A 72 72 VAL C C 72 177.159 177.272 -0.113 1
1 639 . 18 1 1 A 72 72 VAL CA C 72 67.561 66.800 0.761 1
1 640 . 18 1 1 A 72 72 VAL CB C 72 31.962 31.442 0.520 1
1 643 . 18 1 1 A 72 72 VAL N N 72 128.216 125.864 2.352 1
1 644 . 18 1 1 A 73 73 LEU H H 73 9.223 8.212 1.011 1
1 645 . 18 1 1 A 73 73 LEU HA H 73 3.972 4.013 -0.041 1
1 655 . 18 1 1 A 73 73 LEU C C 73 180.513 179.487 1.026 1
1 656 . 18 1 1 A 73 73 LEU CA C 73 58.658 58.238 0.420 1
1 657 . 18 1 1 A 73 73 LEU CB C 73 40.458 41.239 -0.781 1
1 661 . 18 1 1 A 73 73 LEU N N 73 117.712 120.132 -2.420 1
1 662 . 18 1 1 A 74 74 GLU H H 74 7.456 8.345 -0.889 1
1 663 . 18 1 1 A 74 74 GLU HA H 74 4.133 4.023 0.110 1
1 668 . 18 1 1 A 74 74 GLU C C 74 179.695 178.540 1.155 1
1 669 . 18 1 1 A 74 74 GLU CA C 74 59.092 59.603 -0.511 1
1 670 . 18 1 1 A 74 74 GLU CB C 74 29.845 29.421 0.424 1
1 672 . 18 1 1 A 74 74 GLU N N 74 119.823 119.841 -0.018 1
1 673 . 18 1 1 A 75 75 TYR H H 75 8.706 8.527 0.179 1
1 674 . 18 1 1 A 75 75 TYR HA H 75 4.047 4.255 -0.208 1
1 681 . 18 1 1 A 75 75 TYR C C 75 179.408 177.175 2.233 1
1 682 . 18 1 1 A 75 75 TYR CA C 75 62.106 61.507 0.599 1
1 683 . 18 1 1 A 75 75 TYR CB C 75 39.275 38.651 0.624 1
1 688 . 18 1 1 A 75 75 TYR N N 75 123.223 121.177 2.046 1
1 689 . 18 1 1 A 76 76 LEU H H 76 8.586 8.930 -0.344 1
1 690 . 18 1 1 A 76 76 LEU HA H 76 4.458 3.926 0.532 1
1 700 . 18 1 1 A 76 76 LEU C C 76 178.328 179.925 -1.597 1
1 701 . 18 1 1 A 76 76 LEU CA C 76 55.395 57.938 -2.543 1
1 702 . 18 1 1 A 76 76 LEU CB C 76 41.315 41.777 -0.462 1
1 706 . 18 1 1 A 76 76 LEU N N 76 113.641 118.799 -5.158 1
1 707 . 18 1 1 A 77 77 GLY H H 77 7.868 8.251 -0.383 1
1 708 . 18 1 1 A 77 77 GLY HA2 H 77 4.541 4.141 0.400 1
1 709 . 18 1 1 A 77 77 GLY HA3 H 77 3.946 4.298 -0.352 1
1 710 . 18 1 1 A 77 77 GLY C C 77 172.507 174.534 -2.027 1
1 711 . 18 1 1 A 77 77 GLY CA C 77 45.274 46.331 -1.057 1
1 712 . 18 1 1 A 77 77 GLY N N 77 108.897 106.796 2.101 1
1 713 . 18 1 1 A 78 78 ASN H H 78 7.108 7.522 -0.414 1
1 714 . 18 1 1 A 78 78 ASN HA H 78 5.208 4.908 0.300 1
1 719 . 18 1 1 A 78 78 ASN C C 78 174.475 175.025 -0.550 1
1 720 . 18 1 1 A 78 78 ASN CA C 78 49.514 50.855 -1.341 1
1 721 . 18 1 1 A 78 78 ASN CB C 78 39.531 39.301 0.230 1
1 722 . 18 1 1 A 78 78 ASN N N 78 119.451 120.343 -0.892 1
1 724 . 18 1 1 A 79 79 PRO HA H 79 3.589 3.030 0.559 1
1 731 . 18 1 1 A 79 79 PRO C C 79 177.877 176.938 0.939 1
1 732 . 18 1 1 A 79 79 PRO CA C 79 64.697 63.696 1.001 1
1 733 . 18 1 1 A 79 79 PRO CB C 79 30.935 31.059 -0.124 1
1 736 . 18 1 1 A 80 80 ALA H H 80 7.842 8.035 -0.193 1
1 737 . 18 1 1 A 80 80 ALA HA H 80 4.197 4.093 0.104 1
1 741 . 18 1 1 A 80 80 ALA C C 80 178.566 177.568 0.998 1
1 742 . 18 1 1 A 80 80 ALA CA C 80 53.801 53.726 0.075 1
1 743 . 18 1 1 A 80 80 ALA CB C 80 18.366 18.403 -0.037 1
1 744 . 18 1 1 A 80 80 ALA N N 80 119.231 118.962 0.269 1
1 745 . 18 1 1 A 81 81 ASN H H 81 7.714 7.862 -0.148 1
1 746 . 18 1 1 A 81 81 ASN HA H 81 4.662 5.033 -0.371 1
1 751 . 18 1 1 A 81 81 ASN C C 81 172.714 176.060 -3.346 1
1 752 . 18 1 1 A 81 81 ASN CA C 81 52.960 51.713 1.247 1
1 753 . 18 1 1 A 81 81 ASN CB C 81 37.946 38.664 -0.718 1
1 754 . 18 1 1 A 81 81 ASN N N 81 113.680 113.051 0.629 1
1 756 . 18 1 1 A 82 82 TYR H H 82 7.299 7.401 -0.102 1
1 757 . 18 1 1 A 82 82 TYR HA H 82 4.283 4.286 -0.003 1
1 763 . 18 1 1 A 82 82 TYR C C 82 174.383 176.361 -1.978 1
1 764 . 18 1 1 A 82 82 TYR CA C 82 57.061 60.981 -3.920 1
1 765 . 18 1 1 A 82 82 TYR CB C 82 39.447 37.485 1.962 1
1 770 . 18 1 1 A 82 82 TYR N N 82 118.625 120.504 -1.879 1
1 771 . 18 1 1 A 83 83 PRO HA H 83 4.381 4.793 -0.412 1
1 778 . 18 1 1 A 83 83 PRO CA C 83 62.946 62.862 0.084 1
1 779 . 18 1 1 A 83 83 PRO CB C 83 32.088 31.770 0.318 1
1 782 . 18 1 1 A 84 84 VAL HA H 84 4.956 5.203 -0.247 1
1 790 . 18 1 1 A 84 84 VAL CA C 84 59.200 59.384 -0.184 1
1 791 . 18 1 1 A 84 84 VAL CB C 84 35.235 36.463 -1.228 1
1 794 . 18 1 1 A 85 85 SER H H 85 8.491 8.743 -0.252 1
1 795 . 18 1 1 A 85 85 SER HA H 85 5.655 5.442 0.213 1
1 798 . 18 1 1 A 85 85 SER C C 85 174.729 173.406 1.323 1
1 799 . 18 1 1 A 85 85 SER CA C 85 56.679 57.379 -0.700 1
1 800 . 18 1 1 A 85 85 SER CB C 85 64.021 65.000 -0.979 1
1 801 . 18 1 1 A 85 85 SER N N 85 121.531 117.167 4.364 1
1 802 . 18 1 1 A 86 86 ILE H H 86 9.318 9.318 0.000 1
1 803 . 18 1 1 A 86 86 ILE HA H 86 4.803 4.903 -0.100 1
1 813 . 18 1 1 A 86 86 ILE C C 86 173.918 174.003 -0.085 1
1 814 . 18 1 1 A 86 86 ILE CA C 86 60.802 59.735 1.067 1
1 815 . 18 1 1 A 86 86 ILE CB C 86 41.352 42.140 -0.788 1
1 819 . 18 1 1 A 86 86 ILE N N 86 126.689 124.935 1.754 1
1 820 . 18 1 1 A 88 88 PHE HA H 88 5.866 5.481 0.385 1
1 826 . 18 1 1 A 88 88 PHE C C 88 175.891 175.889 0.002 1
1 827 . 18 1 1 A 88 88 PHE CA C 88 56.349 55.784 0.565 1
1 828 . 18 1 1 A 88 88 PHE CB C 88 44.020 43.389 0.631 1
1 832 . 18 1 1 A 89 89 GLY H H 89 8.913 8.730 0.183 1
1 833 . 18 1 1 A 89 89 GLY HA2 H 89 4.090 4.319 -0.229 1
1 834 . 18 1 1 A 89 89 GLY HA3 H 89 4.090 4.378 -0.288 1
1 835 . 18 1 1 A 89 89 GLY C C 89 171.617 171.935 -0.318 1
1 836 . 18 1 1 A 89 89 GLY CA C 89 45.684 45.642 0.042 1
1 837 . 18 1 1 A 89 89 GLY N N 89 105.946 108.834 -2.888 1
1 838 . 18 1 1 A 90 90 ARG H H 90 8.880 8.503 0.377 1
1 839 . 18 1 1 A 90 90 ARG HA H 90 4.628 4.482 0.146 1
1 846 . 18 1 1 A 90 90 ARG CA C 90 54.341 54.328 0.013 1
1 847 . 18 1 1 A 90 90 ARG CB C 90 30.326 29.705 0.621 1
1 850 . 18 1 1 A 90 90 ARG N N 90 123.099 120.441 2.658 1
1 851 . 18 1 1 A 91 91 PRO HA H 91 4.390 4.422 -0.032 1
1 858 . 18 1 1 A 91 91 PRO CA C 91 62.994 63.032 -0.038 1
1 859 . 18 1 1 A 91 91 PRO CB C 91 32.136 32.365 -0.229 1
1 862 . 18 1 1 A 92 92 ARG H H 92 8.506 8.741 -0.235 1
1 863 . 18 1 1 A 92 92 ARG HA H 92 4.321 4.059 0.262 1
1 867 . 18 1 1 A 92 92 ARG C C 92 176.279 175.507 0.772 1
1 868 . 18 1 1 A 92 92 ARG CA C 92 56.320 58.260 -1.940 1
1 869 . 18 1 1 A 92 92 ARG CB C 92 30.937 29.016 1.921 1
1 871 . 18 1 1 A 92 92 ARG N N 92 121.873 116.561 5.312 1
1 872 . 18 1 1 A 93 93 LEU H H 93 8.537 8.442 0.095 1
1 873 . 18 1 1 A 93 93 LEU HA H 93 4.479 4.788 -0.309 1
1 876 . 18 1 1 A 93 93 LEU C C 93 177.444 176.911 0.533 1
1 877 . 18 1 1 A 93 93 LEU CA C 93 55.187 53.626 1.561 1
1 878 . 18 1 1 A 93 93 LEU CB C 93 42.551 44.434 -1.883 1
1 879 . 18 1 1 A 93 93 LEU N N 93 124.440 119.116 5.324 1
1 880 . 18 1 1 A 94 94 THR H H 94 8.183 8.515 -0.332 1
1 881 . 18 1 1 A 94 94 THR HA H 94 4.444 3.961 0.483 1
1 886 . 18 1 1 A 94 94 THR C C 94 174.383 176.293 -1.910 1
1 887 . 18 1 1 A 94 94 THR CA C 94 61.515 64.974 -3.459 1
1 888 . 18 1 1 A 94 94 THR CB C 94 70.080 68.271 1.809 1
1 890 . 18 1 1 A 94 94 THR N N 94 114.261 113.143 1.118 1
1 891 . 18 1 1 A 95 95 SER H H 95 8.394 8.203 0.191 1
1 892 . 18 1 1 A 95 95 SER HA H 95 4.502 4.288 0.214 1
1 895 . 18 1 1 A 95 95 SER C C 95 173.465 176.274 -2.809 1
1 896 . 18 1 1 A 95 95 SER CA C 95 58.383 61.526 -3.143 1
1 897 . 18 1 1 A 95 95 SER CB C 95 64.103 63.125 0.978 1
1 898 . 18 1 1 A 95 95 SER N N 95 117.878 117.426 0.452 1
1 1 . 19 1 1 A 2 2 GLY H H 2 8.575 7.995 0.580 1
1 2 . 19 1 1 A 2 2 GLY HA3 H 2 3.941 3.904 0.037 1
1 3 . 19 1 1 A 2 2 GLY CA C 2 45.109 45.612 -0.503 1
1 4 . 19 1 1 A 2 2 GLY N N 2 110.363 109.876 0.487 1
1 5 . 19 1 1 A 3 3 HIS H H 3 8.398 8.194 0.204 1
1 7 . 19 1 1 A 3 3 HIS CA C 3 55.958 55.755 0.203 1
1 8 . 19 1 1 A 3 3 HIS CB C 3 29.588 31.228 -1.640 1
1 9 . 19 1 1 A 3 3 HIS N N 3 118.248 117.030 1.218 1
1 10 . 19 1 1 A 6 6 HIS HA H 6 4.637 4.862 -0.225 1
1 12 . 19 1 1 A 6 6 HIS CA C 6 55.805 55.862 -0.057 1
1 13 . 19 1 1 A 6 6 HIS CB C 6 29.866 31.179 -1.313 1
1 14 . 19 1 1 A 7 7 HIS H H 7 8.775 7.385 1.390 1
1 15 . 19 1 1 A 7 7 HIS HA H 7 4.639 4.328 0.311 1
1 18 . 19 1 1 A 7 7 HIS CA C 7 55.959 56.242 -0.283 1
1 19 . 19 1 1 A 7 7 HIS CB C 7 29.834 30.763 -0.929 1
1 20 . 19 1 1 A 7 7 HIS N N 7 120.965 117.199 3.766 1
1 21 . 19 1 1 A 8 8 HIS H H 8 8.591 8.391 0.200 1
1 22 . 19 1 1 A 8 8 HIS HA H 8 4.447 5.331 -0.884 1
1 25 . 19 1 1 A 8 8 HIS CA C 8 56.009 54.379 1.630 1
1 26 . 19 1 1 A 8 8 HIS CB C 8 32.890 32.716 0.174 1
1 27 . 19 1 1 A 8 8 HIS N N 8 122.251 115.445 6.806 1
1 28 . 19 1 1 A 9 9 LEU H H 9 8.430 8.868 -0.438 1
1 29 . 19 1 1 A 9 9 LEU HA H 9 4.359 4.967 -0.608 1
1 39 . 19 1 1 A 9 9 LEU C C 9 177.241 174.332 2.909 1
1 40 . 19 1 1 A 9 9 LEU CA C 9 55.395 54.278 1.117 1
1 41 . 19 1 1 A 9 9 LEU CB C 9 42.317 46.094 -3.777 1
1 45 . 19 1 1 A 9 9 LEU N N 9 123.074 122.343 0.731 1
1 46 . 19 1 1 A 10 10 ASP H H 10 8.358 8.708 -0.350 1
1 47 . 19 1 1 A 10 10 ASP HA H 10 4.606 5.065 -0.459 1
1 50 . 19 1 1 A 10 10 ASP C C 10 176.490 175.001 1.489 1
1 51 . 19 1 1 A 10 10 ASP CA C 10 54.541 53.275 1.266 1
1 52 . 19 1 1 A 10 10 ASP CB C 10 41.244 41.053 0.191 1
1 53 . 19 1 1 A 10 10 ASP N N 10 121.299 126.910 -5.611 1
1 54 . 19 1 1 A 11 11 SER H H 11 8.212 8.137 0.075 1
1 55 . 19 1 1 A 11 11 SER HA H 11 4.367 4.374 -0.007 1
1 58 . 19 1 1 A 11 11 SER C C 11 174.210 174.015 0.195 1
1 59 . 19 1 1 A 11 11 SER CA C 11 58.750 59.202 -0.452 1
1 60 . 19 1 1 A 11 11 SER CB C 11 63.743 63.729 0.014 1
1 61 . 19 1 1 A 11 11 SER N N 11 115.863 119.573 -3.710 1
1 62 . 19 1 1 A 12 12 TYR H H 12 8.207 8.474 -0.267 1
1 63 . 19 1 1 A 12 12 TYR HA H 12 4.562 4.702 -0.140 1
1 70 . 19 1 1 A 12 12 TYR C C 12 175.105 174.775 0.330 1
1 71 . 19 1 1 A 12 12 TYR CA C 12 57.994 57.413 0.581 1
1 72 . 19 1 1 A 12 12 TYR CB C 12 38.821 39.921 -1.100 1
1 77 . 19 1 1 A 12 12 TYR N N 12 121.901 121.417 0.484 1
1 78 . 19 1 1 A 13 13 ALA H H 13 8.033 8.705 -0.672 1
1 79 . 19 1 1 A 13 13 ALA HA H 13 4.552 4.990 -0.438 1
1 83 . 19 1 1 A 13 13 ALA C C 13 174.997 174.680 0.317 1
1 84 . 19 1 1 A 13 13 ALA CA C 13 50.585 49.828 0.757 1
1 85 . 19 1 1 A 13 13 ALA CB C 13 18.488 22.056 -3.568 1
1 86 . 19 1 1 A 13 13 ALA N N 13 126.839 121.202 5.637 1
1 87 . 19 1 1 A 14 14 PRO HA H 14 4.390 4.582 -0.192 1
1 94 . 19 1 1 A 14 14 PRO C C 14 176.894 178.062 -1.168 1
1 95 . 19 1 1 A 14 14 PRO CA C 14 63.199 63.341 -0.142 1
1 96 . 19 1 1 A 14 14 PRO CB C 14 32.210 32.659 -0.449 1
1 99 . 19 1 1 A 15 15 ARG H H 15 8.492 8.918 -0.426 1
1 100 . 19 1 1 A 15 15 ARG HA H 15 4.357 4.141 0.216 1
1 104 . 19 1 1 A 15 15 ARG C C 15 176.040 177.205 -1.165 1
1 105 . 19 1 1 A 15 15 ARG CA C 15 56.029 59.432 -3.403 1
1 106 . 19 1 1 A 15 15 ARG CB C 15 31.097 30.151 0.946 1
1 108 . 19 1 1 A 15 15 ARG N N 15 121.148 124.528 -3.380 1
1 109 . 19 1 1 A 16 16 ALA H H 16 8.511 7.885 0.626 1
1 110 . 19 1 1 A 16 16 ALA HA H 16 4.352 4.611 -0.259 1
1 114 . 19 1 1 A 16 16 ALA C C 16 177.569 176.735 0.834 1
1 115 . 19 1 1 A 16 16 ALA CA C 16 52.771 53.296 -0.525 1
1 116 . 19 1 1 A 16 16 ALA CB C 16 19.291 21.609 -2.318 1
1 117 . 19 1 1 A 16 16 ALA N N 16 125.410 116.977 8.433 1
1 118 . 19 1 1 A 17 17 GLU H H 17 8.513 8.054 0.459 1
1 119 . 19 1 1 A 17 17 GLU HA H 17 4.681 4.788 -0.107 1
1 124 . 19 1 1 A 17 17 GLU C C 17 176.040 174.245 1.795 1
1 125 . 19 1 1 A 17 17 GLU CA C 17 56.240 55.377 0.863 1
1 126 . 19 1 1 A 17 17 GLU CB C 17 31.430 32.739 -1.309 1
1 128 . 19 1 1 A 17 17 GLU N N 17 120.135 113.480 6.655 1
1 129 . 19 1 1 A 20 20 LYS HA H 20 4.642 4.789 -0.147 1
1 132 . 19 1 1 A 20 20 LYS C C 20 174.395 175.373 -0.978 1
1 133 . 19 1 1 A 20 20 LYS CA C 20 55.041 54.283 0.758 1
1 134 . 19 1 1 A 20 20 LYS CB C 20 36.603 36.921 -0.318 1
1 135 . 19 1 1 A 21 21 THR H H 21 8.278 7.978 0.300 1
1 136 . 19 1 1 A 21 21 THR HA H 21 5.185 5.413 -0.228 1
1 141 . 19 1 1 A 21 21 THR C C 21 174.123 172.713 1.410 1
1 142 . 19 1 1 A 21 21 THR CA C 21 62.206 60.339 1.867 1
1 143 . 19 1 1 A 21 21 THR CB C 21 69.740 71.690 -1.950 1
1 145 . 19 1 1 A 21 21 THR N N 21 118.285 114.344 3.941 1
1 146 . 19 1 1 A 22 22 PHE H H 22 9.552 9.092 0.460 1
1 147 . 19 1 1 A 22 22 PHE HA H 22 4.934 5.039 -0.105 1
1 155 . 19 1 1 A 22 22 PHE CA C 22 57.809 55.763 2.046 1
1 156 . 19 1 1 A 22 22 PHE CB C 22 43.018 44.214 -1.196 1
1 162 . 19 1 1 A 22 22 PHE N N 22 125.884 123.908 1.976 1
1 163 . 19 1 1 A 23 23 SER H H 23 8.489 8.659 -0.170 1
1 164 . 19 1 1 A 23 23 SER HA H 23 4.874 5.035 -0.161 1
1 167 . 19 1 1 A 23 23 SER CA C 23 57.308 57.102 0.206 1
1 168 . 19 1 1 A 23 23 SER CB C 23 65.134 67.436 -2.302 1
1 169 . 19 1 1 A 23 23 SER N N 23 116.064 114.625 1.439 1
1 170 . 19 1 1 A 24 24 TYR H H 24 8.561 8.519 0.042 1
1 171 . 19 1 1 A 24 24 TYR HA H 24 3.787 4.714 -0.927 1
1 178 . 19 1 1 A 24 24 TYR CA C 24 55.942 55.559 0.383 1
1 179 . 19 1 1 A 24 24 TYR CB C 24 39.190 41.139 -1.949 1
1 184 . 19 1 1 A 24 24 TYR N N 24 120.614 118.735 1.879 1
1 185 . 19 1 1 A 25 25 PRO HA H 25 3.195 4.543 -1.348 1
1 192 . 19 1 1 A 25 25 PRO CA C 25 61.641 63.103 -1.462 1
1 193 . 19 1 1 A 25 25 PRO CB C 25 33.950 32.712 1.238 1
1 196 . 19 1 1 A 29 29 LEU HA H 29 4.651 4.987 -0.336 1
1 199 . 19 1 1 A 29 29 LEU C C 29 175.676 173.769 1.907 1
1 200 . 19 1 1 A 29 29 LEU CA C 29 54.443 53.925 0.518 1
1 201 . 19 1 1 A 29 29 LEU CB C 29 43.096 46.383 -3.287 1
1 204 . 19 1 1 A 30 30 LEU H H 30 8.665 8.838 -0.173 1
1 205 . 19 1 1 A 30 30 LEU HA H 30 5.369 5.315 0.054 1
1 212 . 19 1 1 A 30 30 LEU C C 30 176.370 175.047 1.323 1
1 213 . 19 1 1 A 30 30 LEU CA C 30 53.005 53.893 -0.888 1
1 214 . 19 1 1 A 30 30 LEU CB C 30 43.867 46.225 -2.358 1
1 217 . 19 1 1 A 30 30 LEU N N 30 126.293 125.937 0.356 1
1 218 . 19 1 1 A 31 31 LYS H H 31 9.288 9.111 0.177 1
1 219 . 19 1 1 A 31 31 LYS HA H 31 4.664 4.960 -0.296 1
1 228 . 19 1 1 A 31 31 LYS C C 31 173.995 174.689 -0.694 1
1 229 . 19 1 1 A 31 31 LYS CA C 31 54.758 54.421 0.337 1
1 230 . 19 1 1 A 31 31 LYS CB C 31 37.173 36.344 0.829 1
1 234 . 19 1 1 A 31 31 LYS N N 31 119.484 119.496 -0.012 1
1 235 . 19 1 1 A 32 32 LEU H H 32 8.724 8.644 0.080 1
1 236 . 19 1 1 A 32 32 LEU HA H 32 4.972 4.982 -0.010 1
1 246 . 19 1 1 A 32 32 LEU C C 32 177.274 175.559 1.715 1
1 247 . 19 1 1 A 32 32 LEU CA C 32 54.494 54.015 0.479 1
1 248 . 19 1 1 A 32 32 LEU CB C 32 43.119 43.948 -0.829 1
1 252 . 19 1 1 A 32 32 LEU N N 32 124.082 123.897 0.185 1
1 253 . 19 1 1 A 33 33 HIS H H 33 9.361 9.203 0.158 1
1 254 . 19 1 1 A 33 33 HIS HA H 33 4.698 4.840 -0.142 1
1 257 . 19 1 1 A 33 33 HIS C C 33 174.092 173.936 0.156 1
1 258 . 19 1 1 A 33 33 HIS CA C 33 56.497 55.805 0.692 1
1 259 . 19 1 1 A 33 33 HIS CB C 33 32.274 33.784 -1.510 1
1 260 . 19 1 1 A 33 33 HIS N N 33 125.743 125.037 0.706 1
1 261 . 19 1 1 A 34 34 ASP H H 34 9.134 8.938 0.196 1
1 262 . 19 1 1 A 34 34 ASP HA H 34 4.146 3.993 0.153 1
1 265 . 19 1 1 A 34 34 ASP C C 34 174.644 175.019 -0.375 1
1 266 . 19 1 1 A 34 34 ASP CA C 34 55.976 54.921 1.055 1
1 267 . 19 1 1 A 34 34 ASP CB C 34 39.179 39.378 -0.199 1
1 268 . 19 1 1 A 34 34 ASP N N 34 128.890 126.327 2.563 1
1 269 . 19 1 1 A 35 35 GLU H H 35 8.648 8.466 0.182 1
1 270 . 19 1 1 A 35 35 GLU HA H 35 3.681 3.815 -0.134 1
1 275 . 19 1 1 A 35 35 GLU C C 35 174.234 174.952 -0.718 1
1 276 . 19 1 1 A 35 35 GLU CA C 35 57.346 58.032 -0.686 1
1 277 . 19 1 1 A 35 35 GLU CB C 35 27.735 27.931 -0.196 1
1 279 . 19 1 1 A 35 35 GLU N N 35 109.734 110.643 -0.909 1
1 280 . 19 1 1 A 36 36 ARG H H 36 7.710 7.646 0.064 1
1 281 . 19 1 1 A 36 36 ARG HA H 36 4.515 4.892 -0.377 1
1 285 . 19 1 1 A 36 36 ARG C C 36 174.063 174.872 -0.809 1
1 286 . 19 1 1 A 36 36 ARG CA C 36 54.212 54.036 0.176 1
1 287 . 19 1 1 A 36 36 ARG CB C 36 33.371 33.701 -0.330 1
1 289 . 19 1 1 A 36 36 ARG N N 36 116.091 118.797 -2.706 1
1 290 . 19 1 1 A 37 37 VAL H H 37 8.803 8.494 0.309 1
1 291 . 19 1 1 A 37 37 VAL HA H 37 4.375 4.801 -0.426 1
1 299 . 19 1 1 A 37 37 VAL C C 37 174.388 175.039 -0.651 1
1 300 . 19 1 1 A 37 37 VAL CA C 37 62.620 61.766 0.854 1
1 301 . 19 1 1 A 37 37 VAL CB C 37 31.484 33.042 -1.558 1
1 304 . 19 1 1 A 37 37 VAL N N 37 122.430 121.355 1.075 1
1 305 . 19 1 1 A 38 38 LEU H H 38 8.966 9.249 -0.283 1
1 306 . 19 1 1 A 38 38 LEU HA H 38 5.495 5.293 0.202 1
1 316 . 19 1 1 A 38 38 LEU C C 38 177.365 176.207 1.158 1
1 317 . 19 1 1 A 38 38 LEU CA C 38 52.624 53.377 -0.753 1
1 318 . 19 1 1 A 38 38 LEU CB C 38 46.189 45.389 0.800 1
1 322 . 19 1 1 A 38 38 LEU N N 38 125.739 127.107 -1.368 1
1 323 . 19 1 1 A 39 39 VAL H H 39 8.899 9.232 -0.333 1
1 324 . 19 1 1 A 39 39 VAL HA H 39 4.006 3.944 0.062 1
1 332 . 19 1 1 A 39 39 VAL C C 39 176.380 176.269 0.111 1
1 333 . 19 1 1 A 39 39 VAL CA C 39 63.763 63.265 0.498 1
1 334 . 19 1 1 A 39 39 VAL CB C 39 31.629 31.079 0.550 1
1 337 . 19 1 1 A 39 39 VAL N N 39 119.125 122.622 -3.497 1
1 338 . 19 1 1 A 40 40 ALA H H 40 9.755 8.801 0.954 1
1 339 . 19 1 1 A 40 40 ALA HA H 40 4.533 4.261 0.272 1
1 343 . 19 1 1 A 40 40 ALA C C 40 176.636 177.215 -0.579 1
1 344 . 19 1 1 A 40 40 ALA CA C 40 52.536 53.869 -1.333 1
1 345 . 19 1 1 A 40 40 ALA CB C 40 20.860 19.784 1.076 1
1 346 . 19 1 1 A 40 40 ALA N N 40 133.618 129.928 3.690 1
1 347 . 19 1 1 A 41 41 PHE H H 41 7.761 7.245 0.516 1
1 348 . 19 1 1 A 41 41 PHE HA H 41 4.299 4.739 -0.440 1
1 353 . 19 1 1 A 41 41 PHE C C 41 172.990 173.742 -0.752 1
1 354 . 19 1 1 A 41 41 PHE CA C 41 59.306 57.054 2.252 1
1 355 . 19 1 1 A 41 41 PHE CB C 41 42.621 42.564 0.057 1
1 358 . 19 1 1 A 41 41 PHE N N 41 117.497 117.029 0.468 1
1 359 . 19 1 1 A 42 42 GLY H H 42 7.709 7.826 -0.117 1
1 360 . 19 1 1 A 42 42 GLY HA2 H 42 4.190 3.845 0.345 1
1 361 . 19 1 1 A 42 42 GLY HA3 H 42 3.327 3.904 -0.577 1
1 362 . 19 1 1 A 42 42 GLY C C 42 171.542 173.547 -2.005 1
1 363 . 19 1 1 A 42 42 GLY CA C 42 44.310 45.480 -1.170 1
1 364 . 19 1 1 A 42 42 GLY N N 42 114.790 111.130 3.660 1
1 365 . 19 1 1 A 43 43 GLN HA H 43 4.366 4.431 -0.065 1
1 372 . 19 1 1 A 43 43 GLN CA C 43 55.207 55.447 -0.240 1
1 373 . 19 1 1 A 43 43 GLN CB C 43 30.347 30.499 -0.152 1
1 376 . 19 1 1 A 49 49 VAL HA H 49 3.386 3.673 -0.287 1
1 384 . 19 1 1 A 49 49 VAL C C 49 177.680 177.316 0.364 1
1 385 . 19 1 1 A 49 49 VAL CA C 49 64.730 63.840 0.890 1
1 386 . 19 1 1 A 49 49 VAL CB C 49 31.489 31.607 -0.118 1
1 389 . 19 1 1 A 50 50 GLY H H 50 9.040 9.154 -0.114 1
1 390 . 19 1 1 A 50 50 GLY HA2 H 50 4.505 3.928 0.577 1
1 391 . 19 1 1 A 50 50 GLY HA3 H 50 3.562 3.954 -0.392 1
1 392 . 19 1 1 A 50 50 GLY C C 50 175.034 174.148 0.886 1
1 393 . 19 1 1 A 50 50 GLY CA C 50 44.901 45.186 -0.285 1
1 394 . 19 1 1 A 50 50 GLY N N 50 115.994 117.114 -1.120 1
1 395 . 19 1 1 A 51 51 HIS H H 51 8.228 7.955 0.273 1
1 396 . 19 1 1 A 51 51 HIS HA H 51 4.614 4.556 0.058 1
1 400 . 19 1 1 A 51 51 HIS C C 51 174.681 175.257 -0.576 1
1 401 . 19 1 1 A 51 51 HIS CA C 51 57.434 56.449 0.985 1
1 402 . 19 1 1 A 51 51 HIS CB C 51 32.934 30.569 2.365 1
1 404 . 19 1 1 A 51 51 HIS N N 51 120.280 119.082 1.198 1
1 405 . 19 1 1 A 52 52 ALA H H 52 9.229 8.881 0.348 1
1 406 . 19 1 1 A 52 52 ALA HA H 52 5.587 4.705 0.882 1
1 410 . 19 1 1 A 52 52 ALA C C 52 177.988 177.773 0.215 1
1 411 . 19 1 1 A 52 52 ALA CA C 52 50.053 51.368 -1.315 1
1 412 . 19 1 1 A 52 52 ALA CB C 52 22.023 19.751 2.272 1
1 413 . 19 1 1 A 52 52 ALA N N 52 121.598 124.278 -2.680 1
1 414 . 19 1 1 A 53 53 VAL HA H 53 3.473 4.283 -0.810 1
1 422 . 19 1 1 A 53 53 VAL C C 53 175.227 175.989 -0.762 1
1 423 . 19 1 1 A 53 53 VAL CA C 53 63.914 63.442 0.472 1
1 424 . 19 1 1 A 53 53 VAL CB C 53 32.339 32.180 0.159 1
1 427 . 19 1 1 A 54 54 LEU H H 54 9.067 9.506 -0.439 1
1 428 . 19 1 1 A 54 54 LEU HA H 54 4.599 4.696 -0.097 1
1 434 . 19 1 1 A 54 54 LEU C C 54 178.208 176.692 1.516 1
1 435 . 19 1 1 A 54 54 LEU CA C 54 55.084 55.689 -0.605 1
1 436 . 19 1 1 A 54 54 LEU CB C 54 43.490 44.134 -0.644 1
1 439 . 19 1 1 A 54 54 LEU N N 54 126.184 126.969 -0.785 1
1 440 . 19 1 1 A 55 55 ALA H H 55 7.665 7.603 0.062 1
1 441 . 19 1 1 A 55 55 ALA HA H 55 4.889 4.993 -0.104 1
1 445 . 19 1 1 A 55 55 ALA C C 55 175.085 175.300 -0.215 1
1 446 . 19 1 1 A 55 55 ALA CA C 55 52.600 51.643 0.957 1
1 447 . 19 1 1 A 55 55 ALA CB C 55 21.847 22.755 -0.908 1
1 448 . 19 1 1 A 55 55 ALA N N 55 119.807 116.949 2.858 1
1 449 . 19 1 1 A 56 56 ILE H H 56 8.209 8.711 -0.502 1
1 450 . 19 1 1 A 56 56 ILE HA H 56 4.643 4.821 -0.178 1
1 460 . 19 1 1 A 56 56 ILE C C 56 176.001 175.968 0.033 1
1 461 . 19 1 1 A 56 56 ILE CA C 56 59.817 60.098 -0.281 1
1 462 . 19 1 1 A 56 56 ILE CB C 56 41.035 40.878 0.157 1
1 466 . 19 1 1 A 56 56 ILE N N 56 119.114 118.848 0.266 1
1 467 . 19 1 1 A 57 57 ASN H H 57 10.090 9.778 0.312 1
1 468 . 19 1 1 A 57 57 ASN HA H 57 4.523 4.520 0.003 1
1 473 . 19 1 1 A 57 57 ASN C C 57 175.371 175.298 0.073 1
1 474 . 19 1 1 A 57 57 ASN CA C 57 54.161 54.608 -0.447 1
1 475 . 19 1 1 A 57 57 ASN CB C 57 36.953 37.171 -0.218 1
1 476 . 19 1 1 A 57 57 ASN N N 57 128.487 127.205 1.282 1
1 478 . 19 1 1 A 58 58 GLY H H 58 9.200 8.459 0.741 1
1 479 . 19 1 1 A 58 58 GLY HA2 H 58 4.080 3.875 0.205 1
1 480 . 19 1 1 A 58 58 GLY HA3 H 58 3.513 3.880 -0.367 1
1 481 . 19 1 1 A 58 58 GLY C C 58 174.149 174.065 0.084 1
1 482 . 19 1 1 A 58 58 GLY CA C 58 45.464 45.389 0.075 1
1 483 . 19 1 1 A 58 58 GLY N N 58 103.720 104.792 -1.072 1
1 484 . 19 1 1 A 59 59 MET H H 59 7.852 8.230 -0.378 1
1 485 . 19 1 1 A 59 59 MET HA H 59 4.801 4.301 0.500 1
1 490 . 19 1 1 A 59 59 MET C C 59 175.661 175.388 0.273 1
1 491 . 19 1 1 A 59 59 MET CA C 59 53.528 54.527 -0.999 1
1 492 . 19 1 1 A 59 59 MET CB C 59 33.623 31.802 1.821 1
1 494 . 19 1 1 A 59 59 MET N N 59 120.479 121.235 -0.756 1
1 495 . 19 1 1 A 60 60 ASP H H 60 8.931 8.542 0.389 1
1 496 . 19 1 1 A 60 60 ASP HA H 60 4.696 4.582 0.114 1
1 499 . 19 1 1 A 60 60 ASP C C 60 176.608 176.196 0.412 1
1 500 . 19 1 1 A 60 60 ASP CA C 60 55.789 54.806 0.983 1
1 501 . 19 1 1 A 60 60 ASP CB C 60 40.793 41.541 -0.748 1
1 502 . 19 1 1 A 60 60 ASP N N 60 127.746 126.462 1.284 1
1 503 . 19 1 1 A 61 61 VAL H H 61 7.734 8.858 -1.124 1
1 504 . 19 1 1 A 61 61 VAL HA H 61 4.216 4.386 -0.170 1
1 512 . 19 1 1 A 61 61 VAL C C 61 174.993 175.247 -0.254 1
1 513 . 19 1 1 A 61 61 VAL CA C 61 60.816 62.773 -1.957 1
1 514 . 19 1 1 A 61 61 VAL CB C 61 32.006 32.438 -0.432 1
1 517 . 19 1 1 A 61 61 VAL N N 61 117.791 127.313 -9.522 1
1 518 . 19 1 1 A 62 62 ASN H H 62 9.011 9.191 -0.180 1
1 519 . 19 1 1 A 62 62 ASN HA H 62 5.044 5.086 -0.042 1
1 524 . 19 1 1 A 62 62 ASN C C 62 175.375 175.724 -0.349 1
1 525 . 19 1 1 A 62 62 ASN CA C 62 51.604 51.801 -0.197 1
1 526 . 19 1 1 A 62 62 ASN CB C 62 39.209 40.181 -0.972 1
1 527 . 19 1 1 A 62 62 ASN N N 62 124.361 125.141 -0.780 1
1 529 . 19 1 1 A 63 63 GLY H H 63 8.699 9.036 -0.337 1
1 530 . 19 1 1 A 63 63 GLY HA2 H 63 4.267 3.904 0.363 1
1 531 . 19 1 1 A 63 63 GLY HA3 H 63 3.760 3.989 -0.229 1
1 532 . 19 1 1 A 63 63 GLY C C 63 173.666 174.638 -0.972 1
1 533 . 19 1 1 A 63 63 GLY CA C 63 47.919 47.421 0.498 1
1 534 . 19 1 1 A 63 63 GLY N N 63 113.974 116.529 -2.555 1
1 535 . 19 1 1 A 64 64 ARG H H 64 8.595 8.421 0.174 1
1 536 . 19 1 1 A 64 64 ARG HA H 64 4.144 4.347 -0.203 1
1 544 . 19 1 1 A 64 64 ARG C C 64 175.001 175.102 -0.101 1
1 545 . 19 1 1 A 64 64 ARG CA C 64 55.449 55.050 0.399 1
1 546 . 19 1 1 A 64 64 ARG CB C 64 31.649 30.261 1.388 1
1 549 . 19 1 1 A 64 64 ARG N N 64 124.516 125.606 -1.090 1
1 551 . 19 1 1 A 65 65 TYR H H 65 7.959 7.532 0.427 1
1 552 . 19 1 1 A 65 65 TYR HA H 65 5.515 5.421 0.094 1
1 559 . 19 1 1 A 65 65 TYR C C 65 176.353 175.925 0.428 1
1 560 . 19 1 1 A 65 65 TYR CA C 65 57.143 56.610 0.533 1
1 561 . 19 1 1 A 65 65 TYR CB C 65 42.338 42.082 0.256 1
1 566 . 19 1 1 A 65 65 TYR N N 65 119.872 119.567 0.305 1
1 567 . 19 1 1 A 66 66 THR H H 66 9.651 8.867 0.784 1
1 568 . 19 1 1 A 66 66 THR HA H 66 4.418 4.491 -0.073 1
1 573 . 19 1 1 A 66 66 THR C C 66 177.773 175.924 1.849 1
1 574 . 19 1 1 A 66 66 THR CA C 66 61.270 61.283 -0.013 1
1 575 . 19 1 1 A 66 66 THR CB C 66 71.305 70.690 0.615 1
1 577 . 19 1 1 A 66 66 THR N N 66 111.062 115.465 -4.403 1
1 578 . 19 1 1 A 67 67 ALA H H 67 9.388 8.966 0.422 1
1 579 . 19 1 1 A 67 67 ALA HA H 67 4.109 4.001 0.108 1
1 583 . 19 1 1 A 67 67 ALA C C 67 177.993 179.463 -1.470 1
1 584 . 19 1 1 A 67 67 ALA CA C 67 55.247 55.385 -0.138 1
1 585 . 19 1 1 A 67 67 ALA CB C 67 18.955 18.155 0.800 1
1 586 . 19 1 1 A 67 67 ALA N N 67 125.051 124.263 0.788 1
1 587 . 19 1 1 A 68 68 ASP H H 68 7.980 7.887 0.093 1
1 588 . 19 1 1 A 68 68 ASP HA H 68 4.674 4.583 0.091 1
1 591 . 19 1 1 A 68 68 ASP C C 68 176.691 176.142 0.549 1
1 592 . 19 1 1 A 68 68 ASP CA C 68 52.824 54.789 -1.965 1
1 593 . 19 1 1 A 68 68 ASP CB C 68 39.776 41.224 -1.448 1
1 594 . 19 1 1 A 68 68 ASP N N 68 111.027 117.005 -5.978 1
1 595 . 19 1 1 A 69 69 GLY H H 69 8.052 7.781 0.271 1
1 596 . 19 1 1 A 69 69 GLY HA2 H 69 4.154 4.033 0.121 1
1 597 . 19 1 1 A 69 69 GLY HA3 H 69 3.569 4.069 -0.500 1
1 598 . 19 1 1 A 69 69 GLY C C 69 174.525 174.635 -0.110 1
1 599 . 19 1 1 A 69 69 GLY CA C 69 46.273 44.914 1.359 1
1 600 . 19 1 1 A 69 69 GLY N N 69 107.666 107.432 0.234 1
1 601 . 19 1 1 A 70 70 LYS H H 70 7.816 7.508 0.308 1
1 602 . 19 1 1 A 70 70 LYS HA H 70 4.639 4.326 0.313 1
1 611 . 19 1 1 A 70 70 LYS C C 70 176.713 176.110 0.603 1
1 612 . 19 1 1 A 70 70 LYS CA C 70 54.753 56.588 -1.835 1
1 613 . 19 1 1 A 70 70 LYS CB C 70 32.589 33.133 -0.544 1
1 617 . 19 1 1 A 70 70 LYS N N 70 120.047 120.850 -0.803 1
1 618 . 19 1 1 A 71 71 GLU H H 71 9.375 8.622 0.753 1
1 619 . 19 1 1 A 71 71 GLU HA H 71 4.366 4.291 0.075 1
1 624 . 19 1 1 A 71 71 GLU C C 71 177.910 177.341 0.569 1
1 625 . 19 1 1 A 71 71 GLU CA C 71 58.297 56.760 1.537 1
1 626 . 19 1 1 A 71 71 GLU CB C 71 29.572 29.941 -0.369 1
1 628 . 19 1 1 A 71 71 GLU N N 71 124.416 122.496 1.920 1
1 629 . 19 1 1 A 72 72 VAL H H 72 9.028 8.865 0.163 1
1 630 . 19 1 1 A 72 72 VAL HA H 72 3.258 3.729 -0.471 1
1 638 . 19 1 1 A 72 72 VAL C C 72 177.159 177.192 -0.033 1
1 639 . 19 1 1 A 72 72 VAL CA C 72 67.561 66.698 0.863 1
1 640 . 19 1 1 A 72 72 VAL CB C 72 31.962 31.793 0.169 1
1 643 . 19 1 1 A 72 72 VAL N N 72 128.216 123.778 4.438 1
1 644 . 19 1 1 A 73 73 LEU H H 73 9.223 8.153 1.070 1
1 645 . 19 1 1 A 73 73 LEU HA H 73 3.972 3.925 0.047 1
1 655 . 19 1 1 A 73 73 LEU C C 73 180.513 179.382 1.131 1
1 656 . 19 1 1 A 73 73 LEU CA C 73 58.658 58.154 0.504 1
1 657 . 19 1 1 A 73 73 LEU CB C 73 40.458 40.750 -0.292 1
1 661 . 19 1 1 A 73 73 LEU N N 73 117.712 119.174 -1.462 1
1 662 . 19 1 1 A 74 74 GLU H H 74 7.456 8.290 -0.834 1
1 663 . 19 1 1 A 74 74 GLU HA H 74 4.133 4.003 0.130 1
1 668 . 19 1 1 A 74 74 GLU C C 74 179.695 178.681 1.014 1
1 669 . 19 1 1 A 74 74 GLU CA C 74 59.092 59.471 -0.379 1
1 670 . 19 1 1 A 74 74 GLU CB C 74 29.845 29.402 0.443 1
1 672 . 19 1 1 A 74 74 GLU N N 74 119.823 119.422 0.401 1
1 673 . 19 1 1 A 75 75 TYR H H 75 8.706 8.317 0.389 1
1 674 . 19 1 1 A 75 75 TYR HA H 75 4.047 4.203 -0.156 1
1 681 . 19 1 1 A 75 75 TYR C C 75 179.408 176.782 2.626 1
1 682 . 19 1 1 A 75 75 TYR CA C 75 62.106 61.660 0.446 1
1 683 . 19 1 1 A 75 75 TYR CB C 75 39.275 38.815 0.460 1
1 688 . 19 1 1 A 75 75 TYR N N 75 123.223 122.477 0.746 1
1 689 . 19 1 1 A 76 76 LEU H H 76 8.586 8.641 -0.055 1
1 690 . 19 1 1 A 76 76 LEU HA H 76 4.458 3.951 0.507 1
1 700 . 19 1 1 A 76 76 LEU C C 76 178.328 179.374 -1.046 1
1 701 . 19 1 1 A 76 76 LEU CA C 76 55.395 57.952 -2.557 1
1 702 . 19 1 1 A 76 76 LEU CB C 76 41.315 41.791 -0.476 1
1 706 . 19 1 1 A 76 76 LEU N N 76 113.641 119.345 -5.704 1
1 707 . 19 1 1 A 77 77 GLY H H 77 7.868 8.156 -0.288 1
1 708 . 19 1 1 A 77 77 GLY HA2 H 77 4.541 3.890 0.651 1
1 709 . 19 1 1 A 77 77 GLY HA3 H 77 3.946 3.893 0.053 1
1 710 . 19 1 1 A 77 77 GLY C C 77 172.507 174.726 -2.219 1
1 711 . 19 1 1 A 77 77 GLY CA C 77 45.274 46.731 -1.457 1
1 712 . 19 1 1 A 77 77 GLY N N 77 108.897 106.575 2.322 1
1 713 . 19 1 1 A 78 78 ASN H H 78 7.108 7.670 -0.562 1
1 714 . 19 1 1 A 78 78 ASN HA H 78 5.208 4.832 0.376 1
1 719 . 19 1 1 A 78 78 ASN C C 78 174.475 175.370 -0.895 1
1 720 . 19 1 1 A 78 78 ASN CA C 78 49.514 51.092 -1.578 1
1 721 . 19 1 1 A 78 78 ASN CB C 78 39.531 39.614 -0.083 1
1 722 . 19 1 1 A 78 78 ASN N N 78 119.451 119.557 -0.106 1
1 724 . 19 1 1 A 79 79 PRO HA H 79 3.589 3.752 -0.163 1
1 731 . 19 1 1 A 79 79 PRO C C 79 177.877 176.999 0.878 1
1 732 . 19 1 1 A 79 79 PRO CA C 79 64.697 63.698 0.999 1
1 733 . 19 1 1 A 79 79 PRO CB C 79 30.935 31.276 -0.341 1
1 736 . 19 1 1 A 80 80 ALA H H 80 7.842 8.142 -0.300 1
1 737 . 19 1 1 A 80 80 ALA HA H 80 4.197 4.114 0.083 1
1 741 . 19 1 1 A 80 80 ALA C C 80 178.566 177.566 1.000 1
1 742 . 19 1 1 A 80 80 ALA CA C 80 53.801 53.961 -0.160 1
1 743 . 19 1 1 A 80 80 ALA CB C 80 18.366 18.318 0.048 1
1 744 . 19 1 1 A 80 80 ALA N N 80 119.231 119.807 -0.576 1
1 745 . 19 1 1 A 81 81 ASN H H 81 7.714 8.014 -0.300 1
1 746 . 19 1 1 A 81 81 ASN HA H 81 4.662 5.031 -0.369 1
1 751 . 19 1 1 A 81 81 ASN C C 81 172.714 175.728 -3.014 1
1 752 . 19 1 1 A 81 81 ASN CA C 81 52.960 51.996 0.964 1
1 753 . 19 1 1 A 81 81 ASN CB C 81 37.946 39.294 -1.348 1
1 754 . 19 1 1 A 81 81 ASN N N 81 113.680 116.558 -2.878 1
1 756 . 19 1 1 A 82 82 TYR H H 82 7.299 7.687 -0.388 1
1 757 . 19 1 1 A 82 82 TYR HA H 82 4.283 4.591 -0.308 1
1 763 . 19 1 1 A 82 82 TYR C C 82 174.383 176.350 -1.967 1
1 764 . 19 1 1 A 82 82 TYR CA C 82 57.061 60.960 -3.899 1
1 765 . 19 1 1 A 82 82 TYR CB C 82 39.447 37.844 1.603 1
1 770 . 19 1 1 A 82 82 TYR N N 82 118.625 121.093 -2.468 1
1 771 . 19 1 1 A 83 83 PRO HA H 83 4.381 4.835 -0.454 1
1 778 . 19 1 1 A 83 83 PRO CA C 83 62.946 62.880 0.066 1
1 779 . 19 1 1 A 83 83 PRO CB C 83 32.088 31.788 0.300 1
1 782 . 19 1 1 A 84 84 VAL HA H 84 4.956 5.039 -0.083 1
1 790 . 19 1 1 A 84 84 VAL CA C 84 59.200 59.565 -0.365 1
1 791 . 19 1 1 A 84 84 VAL CB C 84 35.235 36.462 -1.227 1
1 794 . 19 1 1 A 85 85 SER H H 85 8.491 8.290 0.201 1
1 795 . 19 1 1 A 85 85 SER HA H 85 5.655 5.449 0.206 1
1 798 . 19 1 1 A 85 85 SER C C 85 174.729 173.303 1.426 1
1 799 . 19 1 1 A 85 85 SER CA C 85 56.679 57.154 -0.475 1
1 800 . 19 1 1 A 85 85 SER CB C 85 64.021 65.421 -1.400 1
1 801 . 19 1 1 A 85 85 SER N N 85 121.531 117.329 4.202 1
1 802 . 19 1 1 A 86 86 ILE H H 86 9.318 9.278 0.040 1
1 803 . 19 1 1 A 86 86 ILE HA H 86 4.803 5.207 -0.404 1
1 813 . 19 1 1 A 86 86 ILE C C 86 173.918 174.065 -0.147 1
1 814 . 19 1 1 A 86 86 ILE CA C 86 60.802 60.086 0.716 1
1 815 . 19 1 1 A 86 86 ILE CB C 86 41.352 42.646 -1.294 1
1 819 . 19 1 1 A 86 86 ILE N N 86 126.689 123.678 3.011 1
1 820 . 19 1 1 A 88 88 PHE HA H 88 5.866 5.645 0.221 1
1 826 . 19 1 1 A 88 88 PHE C C 88 175.891 173.838 2.053 1
1 827 . 19 1 1 A 88 88 PHE CA C 88 56.349 55.685 0.664 1
1 828 . 19 1 1 A 88 88 PHE CB C 88 44.020 42.976 1.044 1
1 832 . 19 1 1 A 89 89 GLY H H 89 8.913 8.903 0.010 1
1 833 . 19 1 1 A 89 89 GLY HA2 H 89 4.090 4.290 -0.200 1
1 834 . 19 1 1 A 89 89 GLY HA3 H 89 4.090 4.433 -0.343 1
1 835 . 19 1 1 A 89 89 GLY C C 89 171.617 172.070 -0.453 1
1 836 . 19 1 1 A 89 89 GLY CA C 89 45.684 46.194 -0.510 1
1 837 . 19 1 1 A 89 89 GLY N N 89 105.946 106.051 -0.105 1
1 838 . 19 1 1 A 90 90 ARG H H 90 8.880 8.930 -0.050 1
1 839 . 19 1 1 A 90 90 ARG HA H 90 4.628 4.452 0.176 1
1 846 . 19 1 1 A 90 90 ARG CA C 90 54.341 54.840 -0.499 1
1 847 . 19 1 1 A 90 90 ARG CB C 90 30.326 29.674 0.652 1
1 850 . 19 1 1 A 90 90 ARG N N 90 123.099 120.755 2.344 1
1 851 . 19 1 1 A 91 91 PRO HA H 91 4.390 4.545 -0.155 1
1 858 . 19 1 1 A 91 91 PRO CA C 91 62.994 63.064 -0.070 1
1 859 . 19 1 1 A 91 91 PRO CB C 91 32.136 32.855 -0.719 1
1 862 . 19 1 1 A 92 92 ARG H H 92 8.506 9.013 -0.507 1
1 863 . 19 1 1 A 92 92 ARG HA H 92 4.321 4.786 -0.465 1
1 867 . 19 1 1 A 92 92 ARG C C 92 176.279 175.049 1.230 1
1 868 . 19 1 1 A 92 92 ARG CA C 92 56.320 54.503 1.817 1
1 869 . 19 1 1 A 92 92 ARG CB C 92 30.937 34.565 -3.628 1
1 871 . 19 1 1 A 92 92 ARG N N 92 121.873 123.408 -1.535 1
1 872 . 19 1 1 A 93 93 LEU H H 93 8.537 8.474 0.063 1
1 873 . 19 1 1 A 93 93 LEU HA H 93 4.479 4.421 0.058 1
1 876 . 19 1 1 A 93 93 LEU C C 93 177.444 176.528 0.916 1
1 877 . 19 1 1 A 93 93 LEU CA C 93 55.187 55.287 -0.100 1
1 878 . 19 1 1 A 93 93 LEU CB C 93 42.551 42.628 -0.077 1
1 879 . 19 1 1 A 93 93 LEU N N 93 124.440 122.692 1.748 1
1 880 . 19 1 1 A 94 94 THR H H 94 8.183 8.464 -0.281 1
1 881 . 19 1 1 A 94 94 THR HA H 94 4.444 5.070 -0.626 1
1 886 . 19 1 1 A 94 94 THR C C 94 174.383 174.850 -0.467 1
1 887 . 19 1 1 A 94 94 THR CA C 94 61.515 59.304 2.211 1
1 888 . 19 1 1 A 94 94 THR CB C 94 70.080 72.319 -2.239 1
1 890 . 19 1 1 A 94 94 THR N N 94 114.261 114.411 -0.150 1
1 891 . 19 1 1 A 95 95 SER H H 95 8.394 8.973 -0.579 1
1 892 . 19 1 1 A 95 95 SER HA H 95 4.502 4.231 0.271 1
1 895 . 19 1 1 A 95 95 SER C C 95 173.465 176.422 -2.957 1
1 896 . 19 1 1 A 95 95 SER CA C 95 58.383 61.810 -3.427 1
1 897 . 19 1 1 A 95 95 SER CB C 95 64.103 63.158 0.945 1
1 898 . 19 1 1 A 95 95 SER N N 95 117.878 120.174 -2.296 1
1 1 . 20 1 1 A 2 2 GLY H H 2 8.575 7.475 1.100 1
1 2 . 20 1 1 A 2 2 GLY HA3 H 2 3.941 4.093 -0.152 1
1 3 . 20 1 1 A 2 2 GLY CA C 2 45.109 45.926 -0.817 1
1 4 . 20 1 1 A 2 2 GLY N N 2 110.363 103.904 6.459 1
1 5 . 20 1 1 A 3 3 HIS H H 3 8.398 9.182 -0.784 1
1 7 . 20 1 1 A 3 3 HIS CA C 3 55.958 56.780 -0.822 1
1 8 . 20 1 1 A 3 3 HIS CB C 3 29.588 28.173 1.415 1
1 9 . 20 1 1 A 3 3 HIS N N 3 118.248 118.648 -0.400 1
1 10 . 20 1 1 A 6 6 HIS HA H 6 4.637 4.661 -0.024 1
1 12 . 20 1 1 A 6 6 HIS CA C 6 55.805 53.979 1.826 1
1 13 . 20 1 1 A 6 6 HIS CB C 6 29.866 31.585 -1.719 1
1 14 . 20 1 1 A 7 7 HIS H H 7 8.775 8.324 0.451 1
1 15 . 20 1 1 A 7 7 HIS HA H 7 4.639 4.253 0.386 1
1 18 . 20 1 1 A 7 7 HIS CA C 7 55.959 55.671 0.288 1
1 19 . 20 1 1 A 7 7 HIS CB C 7 29.834 30.687 -0.853 1
1 20 . 20 1 1 A 7 7 HIS N N 7 120.965 117.582 3.383 1
1 21 . 20 1 1 A 8 8 HIS H H 8 8.591 8.908 -0.317 1
1 22 . 20 1 1 A 8 8 HIS HA H 8 4.447 5.101 -0.654 1
1 25 . 20 1 1 A 8 8 HIS CA C 8 56.009 54.423 1.586 1
1 26 . 20 1 1 A 8 8 HIS CB C 8 32.890 35.024 -2.134 1
1 27 . 20 1 1 A 8 8 HIS N N 8 122.251 117.155 5.096 1
1 28 . 20 1 1 A 9 9 LEU H H 9 8.430 8.715 -0.285 1
1 29 . 20 1 1 A 9 9 LEU HA H 9 4.359 4.571 -0.212 1
1 39 . 20 1 1 A 9 9 LEU C C 9 177.241 176.504 0.737 1
1 40 . 20 1 1 A 9 9 LEU CA C 9 55.395 53.426 1.969 1
1 41 . 20 1 1 A 9 9 LEU CB C 9 42.317 42.460 -0.143 1
1 45 . 20 1 1 A 9 9 LEU N N 9 123.074 122.646 0.428 1
1 46 . 20 1 1 A 10 10 ASP H H 10 8.358 8.325 0.033 1
1 47 . 20 1 1 A 10 10 ASP HA H 10 4.606 4.435 0.171 1
1 50 . 20 1 1 A 10 10 ASP C C 10 176.490 175.810 0.680 1
1 51 . 20 1 1 A 10 10 ASP CA C 10 54.541 56.267 -1.726 1
1 52 . 20 1 1 A 10 10 ASP CB C 10 41.244 41.271 -0.027 1
1 53 . 20 1 1 A 10 10 ASP N N 10 121.299 125.682 -4.383 1
1 54 . 20 1 1 A 11 11 SER H H 11 8.212 7.681 0.531 1
1 55 . 20 1 1 A 11 11 SER HA H 11 4.367 4.757 -0.390 1
1 58 . 20 1 1 A 11 11 SER C C 11 174.210 173.810 0.400 1
1 59 . 20 1 1 A 11 11 SER CA C 11 58.750 56.578 2.172 1
1 60 . 20 1 1 A 11 11 SER CB C 11 63.743 65.671 -1.928 1
1 61 . 20 1 1 A 11 11 SER N N 11 115.863 108.768 7.095 1
1 62 . 20 1 1 A 12 12 TYR H H 12 8.207 9.166 -0.959 1
1 63 . 20 1 1 A 12 12 TYR HA H 12 4.562 4.292 0.270 1
1 70 . 20 1 1 A 12 12 TYR C C 12 175.105 176.392 -1.287 1
1 71 . 20 1 1 A 12 12 TYR CA C 12 57.994 61.043 -3.049 1
1 72 . 20 1 1 A 12 12 TYR CB C 12 38.821 37.985 0.836 1
1 77 . 20 1 1 A 12 12 TYR N N 12 121.901 120.472 1.429 1
1 78 . 20 1 1 A 13 13 ALA H H 13 8.033 6.942 1.091 1
1 79 . 20 1 1 A 13 13 ALA HA H 13 4.552 4.462 0.090 1
1 83 . 20 1 1 A 13 13 ALA C C 13 174.997 177.527 -2.530 1
1 84 . 20 1 1 A 13 13 ALA CA C 13 50.585 52.415 -1.830 1
1 85 . 20 1 1 A 13 13 ALA CB C 13 18.488 21.394 -2.906 1
1 86 . 20 1 1 A 13 13 ALA N N 13 126.839 121.478 5.361 1
1 87 . 20 1 1 A 14 14 PRO HA H 14 4.390 4.275 0.115 1
1 94 . 20 1 1 A 14 14 PRO C C 14 176.894 176.445 0.449 1
1 95 . 20 1 1 A 14 14 PRO CA C 14 63.199 64.490 -1.291 1
1 96 . 20 1 1 A 14 14 PRO CB C 14 32.210 31.695 0.515 1
1 99 . 20 1 1 A 15 15 ARG H H 15 8.492 7.746 0.746 1
1 100 . 20 1 1 A 15 15 ARG HA H 15 4.357 4.276 0.081 1
1 104 . 20 1 1 A 15 15 ARG C C 15 176.040 175.927 0.113 1
1 105 . 20 1 1 A 15 15 ARG CA C 15 56.029 57.115 -1.086 1
1 106 . 20 1 1 A 15 15 ARG CB C 15 31.097 30.897 0.200 1
1 108 . 20 1 1 A 15 15 ARG N N 15 121.148 119.337 1.811 1
1 109 . 20 1 1 A 16 16 ALA H H 16 8.511 8.549 -0.038 1
1 110 . 20 1 1 A 16 16 ALA HA H 16 4.352 4.260 0.092 1
1 114 . 20 1 1 A 16 16 ALA C C 16 177.569 177.350 0.219 1
1 115 . 20 1 1 A 16 16 ALA CA C 16 52.771 52.790 -0.019 1
1 116 . 20 1 1 A 16 16 ALA CB C 16 19.291 19.293 -0.002 1
1 117 . 20 1 1 A 16 16 ALA N N 16 125.410 126.235 -0.825 1
1 118 . 20 1 1 A 17 17 GLU H H 17 8.513 7.944 0.569 1
1 119 . 20 1 1 A 17 17 GLU HA H 17 4.681 3.791 0.890 1
1 124 . 20 1 1 A 17 17 GLU C C 17 176.040 175.499 0.541 1
1 125 . 20 1 1 A 17 17 GLU CA C 17 56.240 57.157 -0.917 1
1 126 . 20 1 1 A 17 17 GLU CB C 17 31.430 27.879 3.551 1
1 128 . 20 1 1 A 17 17 GLU N N 17 120.135 114.760 5.375 1
1 129 . 20 1 1 A 20 20 LYS HA H 20 4.642 4.576 0.066 1
1 132 . 20 1 1 A 20 20 LYS C C 20 174.395 175.373 -0.978 1
1 133 . 20 1 1 A 20 20 LYS CA C 20 55.041 55.169 -0.128 1
1 134 . 20 1 1 A 20 20 LYS CB C 20 36.603 36.576 0.027 1
1 135 . 20 1 1 A 21 21 THR H H 21 8.278 8.273 0.005 1
1 136 . 20 1 1 A 21 21 THR HA H 21 5.185 4.724 0.461 1
1 141 . 20 1 1 A 21 21 THR C C 21 174.123 173.981 0.142 1
1 142 . 20 1 1 A 21 21 THR CA C 21 62.206 61.733 0.473 1
1 143 . 20 1 1 A 21 21 THR CB C 21 69.740 70.007 -0.267 1
1 145 . 20 1 1 A 21 21 THR N N 21 118.285 113.403 4.882 1
1 146 . 20 1 1 A 22 22 PHE H H 22 9.552 9.259 0.293 1
1 147 . 20 1 1 A 22 22 PHE HA H 22 4.934 5.144 -0.210 1
1 155 . 20 1 1 A 22 22 PHE CA C 22 57.809 55.884 1.925 1
1 156 . 20 1 1 A 22 22 PHE CB C 22 43.018 44.430 -1.412 1
1 162 . 20 1 1 A 22 22 PHE N N 22 125.884 120.832 5.052 1
1 163 . 20 1 1 A 23 23 SER H H 23 8.489 9.090 -0.601 1
1 164 . 20 1 1 A 23 23 SER HA H 23 4.874 5.522 -0.648 1
1 167 . 20 1 1 A 23 23 SER CA C 23 57.308 57.385 -0.077 1
1 168 . 20 1 1 A 23 23 SER CB C 23 65.134 66.926 -1.792 1
1 169 . 20 1 1 A 23 23 SER N N 23 116.064 114.785 1.279 1
1 170 . 20 1 1 A 24 24 TYR H H 24 8.561 8.576 -0.015 1
1 171 . 20 1 1 A 24 24 TYR HA H 24 3.787 4.709 -0.922 1
1 178 . 20 1 1 A 24 24 TYR CA C 24 55.942 55.659 0.283 1
1 179 . 20 1 1 A 24 24 TYR CB C 24 39.190 39.289 -0.099 1
1 184 . 20 1 1 A 24 24 TYR N N 24 120.614 122.005 -1.391 1
1 185 . 20 1 1 A 25 25 PRO HA H 25 3.195 3.163 0.032 1
1 192 . 20 1 1 A 25 25 PRO CA C 25 61.641 62.639 -0.998 1
1 193 . 20 1 1 A 25 25 PRO CB C 25 33.950 31.725 2.225 1
1 196 . 20 1 1 A 29 29 LEU HA H 29 4.651 4.062 0.589 1
1 199 . 20 1 1 A 29 29 LEU C C 29 175.676 175.119 0.557 1
1 200 . 20 1 1 A 29 29 LEU CA C 29 54.443 56.195 -1.752 1
1 201 . 20 1 1 A 29 29 LEU CB C 29 43.096 42.608 0.488 1
1 204 . 20 1 1 A 30 30 LEU H H 30 8.665 8.434 0.231 1
1 205 . 20 1 1 A 30 30 LEU HA H 30 5.369 5.282 0.087 1
1 212 . 20 1 1 A 30 30 LEU C C 30 176.370 175.740 0.630 1
1 213 . 20 1 1 A 30 30 LEU CA C 30 53.005 53.798 -0.793 1
1 214 . 20 1 1 A 30 30 LEU CB C 30 43.867 45.898 -2.031 1
1 217 . 20 1 1 A 30 30 LEU N N 30 126.293 127.947 -1.654 1
1 218 . 20 1 1 A 31 31 LYS H H 31 9.288 9.023 0.265 1
1 219 . 20 1 1 A 31 31 LYS HA H 31 4.664 4.965 -0.301 1
1 228 . 20 1 1 A 31 31 LYS C C 31 173.995 174.727 -0.732 1
1 229 . 20 1 1 A 31 31 LYS CA C 31 54.758 54.326 0.432 1
1 230 . 20 1 1 A 31 31 LYS CB C 31 37.173 36.343 0.830 1
1 234 . 20 1 1 A 31 31 LYS N N 31 119.484 119.103 0.381 1
1 235 . 20 1 1 A 32 32 LEU H H 32 8.724 8.704 0.020 1
1 236 . 20 1 1 A 32 32 LEU HA H 32 4.972 5.075 -0.103 1
1 246 . 20 1 1 A 32 32 LEU C C 32 177.274 175.590 1.684 1
1 247 . 20 1 1 A 32 32 LEU CA C 32 54.494 53.954 0.540 1
1 248 . 20 1 1 A 32 32 LEU CB C 32 43.119 43.874 -0.755 1
1 252 . 20 1 1 A 32 32 LEU N N 32 124.082 124.215 -0.133 1
1 253 . 20 1 1 A 33 33 HIS H H 33 9.361 9.244 0.117 1
1 254 . 20 1 1 A 33 33 HIS HA H 33 4.698 4.857 -0.159 1
1 257 . 20 1 1 A 33 33 HIS C C 33 174.092 173.933 0.159 1
1 258 . 20 1 1 A 33 33 HIS CA C 33 56.497 55.801 0.696 1
1 259 . 20 1 1 A 33 33 HIS CB C 33 32.274 33.929 -1.655 1
1 260 . 20 1 1 A 33 33 HIS N N 33 125.743 125.310 0.433 1
1 261 . 20 1 1 A 34 34 ASP H H 34 9.134 9.124 0.010 1
1 262 . 20 1 1 A 34 34 ASP HA H 34 4.146 4.000 0.146 1
1 265 . 20 1 1 A 34 34 ASP C C 34 174.644 175.015 -0.371 1
1 266 . 20 1 1 A 34 34 ASP CA C 34 55.976 54.928 1.048 1
1 267 . 20 1 1 A 34 34 ASP CB C 34 39.179 39.372 -0.193 1
1 268 . 20 1 1 A 34 34 ASP N N 34 128.890 126.806 2.084 1
1 269 . 20 1 1 A 35 35 GLU H H 35 8.648 8.457 0.191 1
1 270 . 20 1 1 A 35 35 GLU HA H 35 3.681 3.807 -0.126 1
1 275 . 20 1 1 A 35 35 GLU C C 35 174.234 175.623 -1.389 1
1 276 . 20 1 1 A 35 35 GLU CA C 35 57.346 58.011 -0.665 1
1 277 . 20 1 1 A 35 35 GLU CB C 35 27.735 28.009 -0.274 1
1 279 . 20 1 1 A 35 35 GLU N N 35 109.734 110.680 -0.946 1
1 280 . 20 1 1 A 36 36 ARG H H 36 7.710 7.898 -0.188 1
1 281 . 20 1 1 A 36 36 ARG HA H 36 4.515 4.658 -0.143 1
1 285 . 20 1 1 A 36 36 ARG C C 36 174.063 174.985 -0.922 1
1 286 . 20 1 1 A 36 36 ARG CA C 36 54.212 54.668 -0.456 1
1 287 . 20 1 1 A 36 36 ARG CB C 36 33.371 32.354 1.017 1
1 289 . 20 1 1 A 36 36 ARG N N 36 116.091 119.794 -3.703 1
1 290 . 20 1 1 A 37 37 VAL H H 37 8.803 8.150 0.653 1
1 291 . 20 1 1 A 37 37 VAL HA H 37 4.375 5.058 -0.683 1
1 299 . 20 1 1 A 37 37 VAL C C 37 174.388 174.414 -0.026 1
1 300 . 20 1 1 A 37 37 VAL CA C 37 62.620 59.633 2.987 1
1 301 . 20 1 1 A 37 37 VAL CB C 37 31.484 34.544 -3.060 1
1 304 . 20 1 1 A 37 37 VAL N N 37 122.430 117.612 4.818 1
1 305 . 20 1 1 A 38 38 LEU H H 38 8.966 8.898 0.068 1
1 306 . 20 1 1 A 38 38 LEU HA H 38 5.495 5.258 0.237 1
1 316 . 20 1 1 A 38 38 LEU C C 38 177.365 176.345 1.020 1
1 317 . 20 1 1 A 38 38 LEU CA C 38 52.624 53.441 -0.817 1
1 318 . 20 1 1 A 38 38 LEU CB C 38 46.189 45.731 0.458 1
1 322 . 20 1 1 A 38 38 LEU N N 38 125.739 125.593 0.146 1
1 323 . 20 1 1 A 39 39 VAL H H 39 8.899 9.304 -0.405 1
1 324 . 20 1 1 A 39 39 VAL HA H 39 4.006 3.869 0.137 1
1 332 . 20 1 1 A 39 39 VAL C C 39 176.380 175.767 0.613 1
1 333 . 20 1 1 A 39 39 VAL CA C 39 63.763 63.388 0.375 1
1 334 . 20 1 1 A 39 39 VAL CB C 39 31.629 30.810 0.819 1
1 337 . 20 1 1 A 39 39 VAL N N 39 119.125 122.733 -3.608 1
1 338 . 20 1 1 A 40 40 ALA H H 40 9.755 8.911 0.844 1
1 339 . 20 1 1 A 40 40 ALA HA H 40 4.533 4.204 0.329 1
1 343 . 20 1 1 A 40 40 ALA C C 40 176.636 177.166 -0.530 1
1 344 . 20 1 1 A 40 40 ALA CA C 40 52.536 54.163 -1.627 1
1 345 . 20 1 1 A 40 40 ALA CB C 40 20.860 19.680 1.180 1
1 346 . 20 1 1 A 40 40 ALA N N 40 133.618 130.740 2.878 1
1 347 . 20 1 1 A 41 41 PHE H H 41 7.761 7.347 0.414 1
1 348 . 20 1 1 A 41 41 PHE HA H 41 4.299 4.656 -0.357 1
1 353 . 20 1 1 A 41 41 PHE C C 41 172.990 173.629 -0.639 1
1 354 . 20 1 1 A 41 41 PHE CA C 41 59.306 57.148 2.158 1
1 355 . 20 1 1 A 41 41 PHE CB C 41 42.621 42.446 0.175 1
1 358 . 20 1 1 A 41 41 PHE N N 41 117.497 116.680 0.817 1
1 359 . 20 1 1 A 42 42 GLY H H 42 7.709 7.190 0.519 1
1 360 . 20 1 1 A 42 42 GLY HA2 H 42 4.190 3.852 0.338 1
1 361 . 20 1 1 A 42 42 GLY HA3 H 42 3.327 3.914 -0.587 1
1 362 . 20 1 1 A 42 42 GLY C C 42 171.542 172.969 -1.427 1
1 363 . 20 1 1 A 42 42 GLY CA C 42 44.310 45.308 -0.998 1
1 364 . 20 1 1 A 42 42 GLY N N 42 114.790 109.763 5.027 1
1 365 . 20 1 1 A 43 43 GLN HA H 43 4.366 4.611 -0.245 1
1 372 . 20 1 1 A 43 43 GLN CA C 43 55.207 53.397 1.810 1
1 373 . 20 1 1 A 43 43 GLN CB C 43 30.347 32.775 -2.428 1
1 376 . 20 1 1 A 49 49 VAL HA H 49 3.386 3.834 -0.448 1
1 384 . 20 1 1 A 49 49 VAL C C 49 177.680 177.082 0.598 1
1 385 . 20 1 1 A 49 49 VAL CA C 49 64.730 64.723 0.007 1
1 386 . 20 1 1 A 49 49 VAL CB C 49 31.489 31.692 -0.203 1
1 389 . 20 1 1 A 50 50 GLY H H 50 9.040 9.007 0.033 1
1 390 . 20 1 1 A 50 50 GLY HA2 H 50 4.505 3.853 0.652 1
1 391 . 20 1 1 A 50 50 GLY HA3 H 50 3.562 3.890 -0.328 1
1 392 . 20 1 1 A 50 50 GLY C C 50 175.034 174.618 0.416 1
1 393 . 20 1 1 A 50 50 GLY CA C 50 44.901 45.256 -0.355 1
1 394 . 20 1 1 A 50 50 GLY N N 50 115.994 114.926 1.068 1
1 395 . 20 1 1 A 51 51 HIS H H 51 8.228 7.969 0.259 1
1 396 . 20 1 1 A 51 51 HIS HA H 51 4.614 4.464 0.150 1
1 400 . 20 1 1 A 51 51 HIS C C 51 174.681 175.121 -0.440 1
1 401 . 20 1 1 A 51 51 HIS CA C 51 57.434 56.479 0.955 1
1 402 . 20 1 1 A 51 51 HIS CB C 51 32.934 31.132 1.802 1
1 404 . 20 1 1 A 51 51 HIS N N 51 120.280 118.970 1.310 1
1 405 . 20 1 1 A 52 52 ALA H H 52 9.229 9.221 0.008 1
1 406 . 20 1 1 A 52 52 ALA HA H 52 5.587 5.037 0.550 1
1 410 . 20 1 1 A 52 52 ALA C C 52 177.988 177.490 0.498 1
1 411 . 20 1 1 A 52 52 ALA CA C 52 50.053 50.449 -0.396 1
1 412 . 20 1 1 A 52 52 ALA CB C 52 22.023 21.693 0.330 1
1 413 . 20 1 1 A 52 52 ALA N N 52 121.598 123.444 -1.846 1
1 414 . 20 1 1 A 53 53 VAL HA H 53 3.473 4.239 -0.766 1
1 422 . 20 1 1 A 53 53 VAL C C 53 175.227 175.900 -0.673 1
1 423 . 20 1 1 A 53 53 VAL CA C 53 63.914 63.192 0.722 1
1 424 . 20 1 1 A 53 53 VAL CB C 53 32.339 32.295 0.044 1
1 427 . 20 1 1 A 54 54 LEU H H 54 9.067 9.437 -0.370 1
1 428 . 20 1 1 A 54 54 LEU HA H 54 4.599 4.617 -0.018 1
1 434 . 20 1 1 A 54 54 LEU C C 54 178.208 176.592 1.616 1
1 435 . 20 1 1 A 54 54 LEU CA C 54 55.084 55.809 -0.725 1
1 436 . 20 1 1 A 54 54 LEU CB C 54 43.490 43.694 -0.204 1
1 439 . 20 1 1 A 54 54 LEU N N 54 126.184 127.090 -0.906 1
1 440 . 20 1 1 A 55 55 ALA H H 55 7.665 7.601 0.064 1
1 441 . 20 1 1 A 55 55 ALA HA H 55 4.889 4.969 -0.080 1
1 445 . 20 1 1 A 55 55 ALA C C 55 175.085 175.299 -0.214 1
1 446 . 20 1 1 A 55 55 ALA CA C 55 52.600 51.655 0.945 1
1 447 . 20 1 1 A 55 55 ALA CB C 55 21.847 22.792 -0.945 1
1 448 . 20 1 1 A 55 55 ALA N N 55 119.807 117.031 2.776 1
1 449 . 20 1 1 A 56 56 ILE H H 56 8.209 8.773 -0.564 1
1 450 . 20 1 1 A 56 56 ILE HA H 56 4.643 4.852 -0.209 1
1 460 . 20 1 1 A 56 56 ILE C C 56 176.001 175.949 0.052 1
1 461 . 20 1 1 A 56 56 ILE CA C 56 59.817 60.034 -0.217 1
1 462 . 20 1 1 A 56 56 ILE CB C 56 41.035 40.876 0.159 1
1 466 . 20 1 1 A 56 56 ILE N N 56 119.114 118.698 0.416 1
1 467 . 20 1 1 A 57 57 ASN H H 57 10.090 9.800 0.290 1
1 468 . 20 1 1 A 57 57 ASN HA H 57 4.523 4.528 -0.005 1
1 473 . 20 1 1 A 57 57 ASN C C 57 175.371 175.332 0.039 1
1 474 . 20 1 1 A 57 57 ASN CA C 57 54.161 54.615 -0.454 1
1 475 . 20 1 1 A 57 57 ASN CB C 57 36.953 37.207 -0.254 1
1 476 . 20 1 1 A 57 57 ASN N N 57 128.487 127.128 1.359 1
1 478 . 20 1 1 A 58 58 GLY H H 58 9.200 8.546 0.654 1
1 479 . 20 1 1 A 58 58 GLY HA2 H 58 4.080 3.865 0.215 1
1 480 . 20 1 1 A 58 58 GLY HA3 H 58 3.513 3.866 -0.353 1
1 481 . 20 1 1 A 58 58 GLY C C 58 174.149 173.970 0.179 1
1 482 . 20 1 1 A 58 58 GLY CA C 58 45.464 45.433 0.031 1
1 483 . 20 1 1 A 58 58 GLY N N 58 103.720 104.739 -1.019 1
1 484 . 20 1 1 A 59 59 MET H H 59 7.852 8.222 -0.370 1
1 485 . 20 1 1 A 59 59 MET HA H 59 4.801 4.309 0.492 1
1 490 . 20 1 1 A 59 59 MET C C 59 175.661 175.411 0.250 1
1 491 . 20 1 1 A 59 59 MET CA C 59 53.528 54.607 -1.079 1
1 492 . 20 1 1 A 59 59 MET CB C 59 33.623 31.784 1.839 1
1 494 . 20 1 1 A 59 59 MET N N 59 120.479 121.189 -0.710 1
1 495 . 20 1 1 A 60 60 ASP H H 60 8.931 8.599 0.332 1
1 496 . 20 1 1 A 60 60 ASP HA H 60 4.696 4.824 -0.128 1
1 499 . 20 1 1 A 60 60 ASP C C 60 176.608 175.742 0.866 1
1 500 . 20 1 1 A 60 60 ASP CA C 60 55.789 54.916 0.873 1
1 501 . 20 1 1 A 60 60 ASP CB C 60 40.793 41.512 -0.719 1
1 502 . 20 1 1 A 60 60 ASP N N 60 127.746 126.665 1.081 1
1 503 . 20 1 1 A 61 61 VAL H H 61 7.734 8.803 -1.069 1
1 504 . 20 1 1 A 61 61 VAL HA H 61 4.216 4.763 -0.547 1
1 512 . 20 1 1 A 61 61 VAL C C 61 174.993 174.677 0.316 1
1 513 . 20 1 1 A 61 61 VAL CA C 61 60.816 61.294 -0.478 1
1 514 . 20 1 1 A 61 61 VAL CB C 61 32.006 32.778 -0.772 1
1 517 . 20 1 1 A 61 61 VAL N N 61 117.791 121.971 -4.180 1
1 518 . 20 1 1 A 62 62 ASN H H 62 9.011 9.051 -0.040 1
1 519 . 20 1 1 A 62 62 ASN HA H 62 5.044 4.913 0.131 1
1 524 . 20 1 1 A 62 62 ASN C C 62 175.375 175.970 -0.595 1
1 525 . 20 1 1 A 62 62 ASN CA C 62 51.604 52.547 -0.943 1
1 526 . 20 1 1 A 62 62 ASN CB C 62 39.209 38.011 1.198 1
1 527 . 20 1 1 A 62 62 ASN N N 62 124.361 125.041 -0.680 1
1 529 . 20 1 1 A 63 63 GLY H H 63 8.699 8.659 0.040 1
1 530 . 20 1 1 A 63 63 GLY HA2 H 63 4.267 3.910 0.357 1
1 531 . 20 1 1 A 63 63 GLY HA3 H 63 3.760 3.924 -0.164 1
1 532 . 20 1 1 A 63 63 GLY C C 63 173.666 174.030 -0.364 1
1 533 . 20 1 1 A 63 63 GLY CA C 63 47.919 45.947 1.972 1
1 534 . 20 1 1 A 63 63 GLY N N 63 113.974 114.880 -0.906 1
1 535 . 20 1 1 A 64 64 ARG H H 64 8.595 8.205 0.390 1
1 536 . 20 1 1 A 64 64 ARG HA H 64 4.144 4.419 -0.275 1
1 544 . 20 1 1 A 64 64 ARG C C 64 175.001 174.881 0.120 1
1 545 . 20 1 1 A 64 64 ARG CA C 64 55.449 55.469 -0.020 1
1 546 . 20 1 1 A 64 64 ARG CB C 64 31.649 31.509 0.140 1
1 549 . 20 1 1 A 64 64 ARG N N 64 124.516 118.347 6.169 1
1 551 . 20 1 1 A 65 65 TYR H H 65 7.959 7.617 0.342 1
1 552 . 20 1 1 A 65 65 TYR HA H 65 5.515 5.331 0.184 1
1 559 . 20 1 1 A 65 65 TYR C C 65 176.353 175.906 0.447 1
1 560 . 20 1 1 A 65 65 TYR CA C 65 57.143 56.778 0.365 1
1 561 . 20 1 1 A 65 65 TYR CB C 65 42.338 41.872 0.466 1
1 566 . 20 1 1 A 65 65 TYR N N 65 119.872 119.020 0.852 1
1 567 . 20 1 1 A 66 66 THR H H 66 9.651 8.907 0.744 1
1 568 . 20 1 1 A 66 66 THR HA H 66 4.418 4.486 -0.068 1
1 573 . 20 1 1 A 66 66 THR C C 66 177.773 176.008 1.765 1
1 574 . 20 1 1 A 66 66 THR CA C 66 61.270 61.204 0.066 1
1 575 . 20 1 1 A 66 66 THR CB C 66 71.305 70.634 0.671 1
1 577 . 20 1 1 A 66 66 THR N N 66 111.062 115.123 -4.061 1
1 578 . 20 1 1 A 67 67 ALA H H 67 9.388 8.974 0.414 1
1 579 . 20 1 1 A 67 67 ALA HA H 67 4.109 3.990 0.119 1
1 583 . 20 1 1 A 67 67 ALA C C 67 177.993 179.457 -1.464 1
1 584 . 20 1 1 A 67 67 ALA CA C 67 55.247 55.361 -0.114 1
1 585 . 20 1 1 A 67 67 ALA CB C 67 18.955 18.280 0.675 1
1 586 . 20 1 1 A 67 67 ALA N N 67 125.051 124.389 0.662 1
1 587 . 20 1 1 A 68 68 ASP H H 68 7.980 7.877 0.103 1
1 588 . 20 1 1 A 68 68 ASP HA H 68 4.674 4.565 0.109 1
1 591 . 20 1 1 A 68 68 ASP C C 68 176.691 176.111 0.580 1
1 592 . 20 1 1 A 68 68 ASP CA C 68 52.824 54.643 -1.819 1
1 593 . 20 1 1 A 68 68 ASP CB C 68 39.776 41.253 -1.477 1
1 594 . 20 1 1 A 68 68 ASP N N 68 111.027 116.822 -5.795 1
1 595 . 20 1 1 A 69 69 GLY H H 69 8.052 7.673 0.379 1
1 596 . 20 1 1 A 69 69 GLY HA2 H 69 4.154 3.970 0.184 1
1 597 . 20 1 1 A 69 69 GLY HA3 H 69 3.569 4.008 -0.439 1
1 598 . 20 1 1 A 69 69 GLY C C 69 174.525 174.483 0.042 1
1 599 . 20 1 1 A 69 69 GLY CA C 69 46.273 44.808 1.465 1
1 600 . 20 1 1 A 69 69 GLY N N 69 107.666 107.350 0.316 1
1 601 . 20 1 1 A 70 70 LYS H H 70 7.816 7.484 0.332 1
1 602 . 20 1 1 A 70 70 LYS HA H 70 4.639 4.307 0.332 1
1 611 . 20 1 1 A 70 70 LYS C C 70 176.713 176.299 0.414 1
1 612 . 20 1 1 A 70 70 LYS CA C 70 54.753 56.310 -1.557 1
1 613 . 20 1 1 A 70 70 LYS CB C 70 32.589 32.999 -0.410 1
1 617 . 20 1 1 A 70 70 LYS N N 70 120.047 120.392 -0.345 1
1 618 . 20 1 1 A 71 71 GLU H H 71 9.375 8.646 0.729 1
1 619 . 20 1 1 A 71 71 GLU HA H 71 4.366 4.607 -0.241 1
1 624 . 20 1 1 A 71 71 GLU C C 71 177.910 177.939 -0.029 1
1 625 . 20 1 1 A 71 71 GLU CA C 71 58.297 57.111 1.186 1
1 626 . 20 1 1 A 71 71 GLU CB C 71 29.572 31.410 -1.838 1
1 628 . 20 1 1 A 71 71 GLU N N 71 124.416 125.272 -0.856 1
1 629 . 20 1 1 A 72 72 VAL H H 72 9.028 8.875 0.153 1
1 630 . 20 1 1 A 72 72 VAL HA H 72 3.258 3.793 -0.535 1
1 638 . 20 1 1 A 72 72 VAL C C 72 177.159 177.187 -0.028 1
1 639 . 20 1 1 A 72 72 VAL CA C 72 67.561 66.920 0.641 1
1 640 . 20 1 1 A 72 72 VAL CB C 72 31.962 31.826 0.136 1
1 643 . 20 1 1 A 72 72 VAL N N 72 128.216 125.528 2.688 1
1 644 . 20 1 1 A 73 73 LEU H H 73 9.223 8.194 1.029 1
1 645 . 20 1 1 A 73 73 LEU HA H 73 3.972 3.977 -0.005 1
1 655 . 20 1 1 A 73 73 LEU C C 73 180.513 179.512 1.001 1
1 656 . 20 1 1 A 73 73 LEU CA C 73 58.658 58.190 0.468 1
1 657 . 20 1 1 A 73 73 LEU CB C 73 40.458 41.101 -0.643 1
1 661 . 20 1 1 A 73 73 LEU N N 73 117.712 119.255 -1.543 1
1 662 . 20 1 1 A 74 74 GLU H H 74 7.456 8.331 -0.875 1
1 663 . 20 1 1 A 74 74 GLU HA H 74 4.133 3.977 0.156 1
1 668 . 20 1 1 A 74 74 GLU C C 74 179.695 178.643 1.052 1
1 669 . 20 1 1 A 74 74 GLU CA C 74 59.092 59.476 -0.384 1
1 670 . 20 1 1 A 74 74 GLU CB C 74 29.845 29.360 0.485 1
1 672 . 20 1 1 A 74 74 GLU N N 74 119.823 119.941 -0.118 1
1 673 . 20 1 1 A 75 75 TYR H H 75 8.706 8.453 0.253 1
1 674 . 20 1 1 A 75 75 TYR HA H 75 4.047 4.139 -0.092 1
1 681 . 20 1 1 A 75 75 TYR C C 75 179.408 176.727 2.681 1
1 682 . 20 1 1 A 75 75 TYR CA C 75 62.106 61.581 0.525 1
1 683 . 20 1 1 A 75 75 TYR CB C 75 39.275 38.893 0.382 1
1 688 . 20 1 1 A 75 75 TYR N N 75 123.223 121.183 2.040 1
1 689 . 20 1 1 A 76 76 LEU H H 76 8.586 8.597 -0.011 1
1 690 . 20 1 1 A 76 76 LEU HA H 76 4.458 3.701 0.757 1
1 700 . 20 1 1 A 76 76 LEU C C 76 178.328 179.040 -0.712 1
1 701 . 20 1 1 A 76 76 LEU CA C 76 55.395 57.784 -2.389 1
1 702 . 20 1 1 A 76 76 LEU CB C 76 41.315 41.749 -0.434 1
1 706 . 20 1 1 A 76 76 LEU N N 76 113.641 119.312 -5.671 1
1 707 . 20 1 1 A 77 77 GLY H H 77 7.868 7.979 -0.111 1
1 708 . 20 1 1 A 77 77 GLY HA2 H 77 4.541 3.352 1.189 1
1 709 . 20 1 1 A 77 77 GLY HA3 H 77 3.946 3.819 0.127 1
1 710 . 20 1 1 A 77 77 GLY C C 77 172.507 174.462 -1.955 1
1 711 . 20 1 1 A 77 77 GLY CA C 77 45.274 46.429 -1.155 1
1 712 . 20 1 1 A 77 77 GLY N N 77 108.897 106.246 2.651 1
1 713 . 20 1 1 A 78 78 ASN H H 78 7.108 7.600 -0.492 1
1 714 . 20 1 1 A 78 78 ASN HA H 78 5.208 4.776 0.432 1
1 719 . 20 1 1 A 78 78 ASN C C 78 174.475 175.517 -1.042 1
1 720 . 20 1 1 A 78 78 ASN CA C 78 49.514 51.108 -1.594 1
1 721 . 20 1 1 A 78 78 ASN CB C 78 39.531 39.661 -0.130 1
1 722 . 20 1 1 A 78 78 ASN N N 78 119.451 119.377 0.074 1
1 724 . 20 1 1 A 79 79 PRO HA H 79 3.589 3.938 -0.349 1
1 731 . 20 1 1 A 79 79 PRO C C 79 177.877 177.050 0.827 1
1 732 . 20 1 1 A 79 79 PRO CA C 79 64.697 63.981 0.716 1
1 733 . 20 1 1 A 79 79 PRO CB C 79 30.935 31.431 -0.496 1
1 736 . 20 1 1 A 80 80 ALA H H 80 7.842 8.145 -0.303 1
1 737 . 20 1 1 A 80 80 ALA HA H 80 4.197 4.119 0.078 1
1 741 . 20 1 1 A 80 80 ALA C C 80 178.566 177.475 1.091 1
1 742 . 20 1 1 A 80 80 ALA CA C 80 53.801 53.839 -0.038 1
1 743 . 20 1 1 A 80 80 ALA CB C 80 18.366 18.412 -0.046 1
1 744 . 20 1 1 A 80 80 ALA N N 80 119.231 119.362 -0.131 1
1 745 . 20 1 1 A 81 81 ASN H H 81 7.714 7.998 -0.284 1
1 746 . 20 1 1 A 81 81 ASN HA H 81 4.662 4.984 -0.322 1
1 751 . 20 1 1 A 81 81 ASN C C 81 172.714 175.484 -2.770 1
1 752 . 20 1 1 A 81 81 ASN CA C 81 52.960 51.931 1.029 1
1 753 . 20 1 1 A 81 81 ASN CB C 81 37.946 39.278 -1.332 1
1 754 . 20 1 1 A 81 81 ASN N N 81 113.680 116.588 -2.908 1
1 756 . 20 1 1 A 82 82 TYR H H 82 7.299 7.952 -0.653 1
1 757 . 20 1 1 A 82 82 TYR HA H 82 4.283 4.287 -0.004 1
1 763 . 20 1 1 A 82 82 TYR C C 82 174.383 176.331 -1.948 1
1 764 . 20 1 1 A 82 82 TYR CA C 82 57.061 60.724 -3.663 1
1 765 . 20 1 1 A 82 82 TYR CB C 82 39.447 38.092 1.355 1
1 770 . 20 1 1 A 82 82 TYR N N 82 118.625 121.743 -3.118 1
1 771 . 20 1 1 A 83 83 PRO HA H 83 4.381 4.937 -0.556 1
1 778 . 20 1 1 A 83 83 PRO CA C 83 62.946 62.986 -0.040 1
1 779 . 20 1 1 A 83 83 PRO CB C 83 32.088 31.847 0.241 1
1 782 . 20 1 1 A 84 84 VAL HA H 84 4.956 5.126 -0.170 1
1 790 . 20 1 1 A 84 84 VAL CA C 84 59.200 59.474 -0.274 1
1 791 . 20 1 1 A 84 84 VAL CB C 84 35.235 36.461 -1.226 1
1 794 . 20 1 1 A 85 85 SER H H 85 8.491 8.396 0.095 1
1 795 . 20 1 1 A 85 85 SER HA H 85 5.655 5.591 0.064 1
1 798 . 20 1 1 A 85 85 SER C C 85 174.729 173.329 1.400 1
1 799 . 20 1 1 A 85 85 SER CA C 85 56.679 57.202 -0.523 1
1 800 . 20 1 1 A 85 85 SER CB C 85 64.021 65.676 -1.655 1
1 801 . 20 1 1 A 85 85 SER N N 85 121.531 117.072 4.459 1
1 802 . 20 1 1 A 86 86 ILE H H 86 9.318 9.251 0.067 1
1 803 . 20 1 1 A 86 86 ILE HA H 86 4.803 5.207 -0.404 1
1 813 . 20 1 1 A 86 86 ILE C C 86 173.918 174.208 -0.290 1
1 814 . 20 1 1 A 86 86 ILE CA C 86 60.802 60.149 0.653 1
1 815 . 20 1 1 A 86 86 ILE CB C 86 41.352 42.523 -1.171 1
1 819 . 20 1 1 A 86 86 ILE N N 86 126.689 123.830 2.859 1
1 820 . 20 1 1 A 88 88 PHE HA H 88 5.866 5.540 0.326 1
1 826 . 20 1 1 A 88 88 PHE C C 88 175.891 174.023 1.868 1
1 827 . 20 1 1 A 88 88 PHE CA C 88 56.349 55.600 0.749 1
1 828 . 20 1 1 A 88 88 PHE CB C 88 44.020 42.937 1.083 1
1 832 . 20 1 1 A 89 89 GLY H H 89 8.913 8.696 0.217 1
1 833 . 20 1 1 A 89 89 GLY HA2 H 89 4.090 3.849 0.241 1
1 834 . 20 1 1 A 89 89 GLY HA3 H 89 4.090 4.077 0.013 1
1 835 . 20 1 1 A 89 89 GLY C C 89 171.617 171.835 -0.218 1
1 836 . 20 1 1 A 89 89 GLY CA C 89 45.684 45.714 -0.030 1
1 837 . 20 1 1 A 89 89 GLY N N 89 105.946 105.793 0.153 1
1 838 . 20 1 1 A 90 90 ARG H H 90 8.880 8.354 0.526 1
1 839 . 20 1 1 A 90 90 ARG HA H 90 4.628 4.675 -0.047 1
1 846 . 20 1 1 A 90 90 ARG CA C 90 54.341 54.478 -0.137 1
1 847 . 20 1 1 A 90 90 ARG CB C 90 30.326 29.792 0.534 1
1 850 . 20 1 1 A 90 90 ARG N N 90 123.099 121.032 2.067 1
1 851 . 20 1 1 A 91 91 PRO HA H 91 4.390 4.588 -0.198 1
1 858 . 20 1 1 A 91 91 PRO CA C 91 62.994 63.040 -0.046 1
1 859 . 20 1 1 A 91 91 PRO CB C 91 32.136 32.535 -0.399 1
1 862 . 20 1 1 A 92 92 ARG H H 92 8.506 8.433 0.073 1
1 863 . 20 1 1 A 92 92 ARG HA H 92 4.321 4.797 -0.476 1
1 867 . 20 1 1 A 92 92 ARG C C 92 176.279 175.098 1.181 1
1 868 . 20 1 1 A 92 92 ARG CA C 92 56.320 54.142 2.178 1
1 869 . 20 1 1 A 92 92 ARG CB C 92 30.937 33.932 -2.995 1
1 871 . 20 1 1 A 92 92 ARG N N 92 121.873 120.539 1.334 1
1 872 . 20 1 1 A 93 93 LEU H H 93 8.537 8.561 -0.024 1
1 873 . 20 1 1 A 93 93 LEU HA H 93 4.479 4.322 0.157 1
1 876 . 20 1 1 A 93 93 LEU C C 93 177.444 175.504 1.940 1
1 877 . 20 1 1 A 93 93 LEU CA C 93 55.187 56.273 -1.086 1
1 878 . 20 1 1 A 93 93 LEU CB C 93 42.551 42.272 0.279 1
1 879 . 20 1 1 A 93 93 LEU N N 93 124.440 125.254 -0.814 1
1 880 . 20 1 1 A 94 94 THR H H 94 8.183 8.504 -0.321 1
1 881 . 20 1 1 A 94 94 THR HA H 94 4.444 5.005 -0.561 1
1 886 . 20 1 1 A 94 94 THR C C 94 174.383 174.072 0.311 1
1 887 . 20 1 1 A 94 94 THR CA C 94 61.515 59.495 2.020 1
1 888 . 20 1 1 A 94 94 THR CB C 94 70.080 71.019 -0.939 1
1 890 . 20 1 1 A 94 94 THR N N 94 114.261 116.779 -2.518 1
1 891 . 20 1 1 A 95 95 SER H H 95 8.394 9.082 -0.688 1
1 892 . 20 1 1 A 95 95 SER HA H 95 4.502 4.128 0.374 1
1 895 . 20 1 1 A 95 95 SER C C 95 173.465 176.277 -2.812 1
1 896 . 20 1 1 A 95 95 SER CA C 95 58.383 62.361 -3.978 1
1 897 . 20 1 1 A 95 95 SER CB C 95 64.103 62.972 1.131 1
1 898 . 20 1 1 A 95 95 SER N N 95 117.878 118.972 -1.094 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 67 1.167 1
2 1 1 1 "RMS(OBS, PRED)" CA 81 1.172 1
3 1 1 1 "RMS(OBS, PRED)" CB 73 1.300 1
4 1 1 1 "RMS(OBS, PRED)" H 68 0.448 1
5 1 1 1 "RMS(OBS, PRED)" HA 87 0.357 1
6 1 1 1 "RMS(OBS, PRED)" N 68 2.623 1
7 1 2 1 "RMS(OBS, PRED)" C 67 1.236 1
8 1 2 1 "RMS(OBS, PRED)" CA 81 1.362 1
9 1 2 1 "RMS(OBS, PRED)" CB 73 1.391 1
10 1 2 1 "RMS(OBS, PRED)" H 68 0.506 1
11 1 2 1 "RMS(OBS, PRED)" HA 87 0.365 1
12 1 2 1 "RMS(OBS, PRED)" N 68 2.831 1
13 1 3 1 "RMS(OBS, PRED)" C 67 1.056 1
14 1 3 1 "RMS(OBS, PRED)" CA 81 1.251 1
15 1 3 1 "RMS(OBS, PRED)" CB 73 1.311 1
16 1 3 1 "RMS(OBS, PRED)" H 68 0.460 1
17 1 3 1 "RMS(OBS, PRED)" HA 87 0.377 1
18 1 3 1 "RMS(OBS, PRED)" N 68 2.505 1
19 1 4 1 "RMS(OBS, PRED)" C 67 1.192 1
20 1 4 1 "RMS(OBS, PRED)" CA 81 1.313 1
21 1 4 1 "RMS(OBS, PRED)" CB 73 1.482 1
22 1 4 1 "RMS(OBS, PRED)" H 68 0.461 1
23 1 4 1 "RMS(OBS, PRED)" HA 87 0.373 1
24 1 4 1 "RMS(OBS, PRED)" N 68 2.755 1
25 1 5 1 "RMS(OBS, PRED)" C 67 1.059 1
26 1 5 1 "RMS(OBS, PRED)" CA 81 1.326 1
27 1 5 1 "RMS(OBS, PRED)" CB 73 1.357 1
28 1 5 1 "RMS(OBS, PRED)" H 68 0.466 1
29 1 5 1 "RMS(OBS, PRED)" HA 87 0.402 1
30 1 5 1 "RMS(OBS, PRED)" N 68 2.580 1
31 1 6 1 "RMS(OBS, PRED)" C 67 1.080 1
32 1 6 1 "RMS(OBS, PRED)" CA 81 1.284 1
33 1 6 1 "RMS(OBS, PRED)" CB 73 1.348 1
34 1 6 1 "RMS(OBS, PRED)" H 68 0.469 1
35 1 6 1 "RMS(OBS, PRED)" HA 87 0.327 1
36 1 6 1 "RMS(OBS, PRED)" N 68 3.088 1
37 1 7 1 "RMS(OBS, PRED)" C 67 1.137 1
38 1 7 1 "RMS(OBS, PRED)" CA 81 1.258 1
39 1 7 1 "RMS(OBS, PRED)" CB 73 1.419 1
40 1 7 1 "RMS(OBS, PRED)" H 68 0.487 1
41 1 7 1 "RMS(OBS, PRED)" HA 87 0.369 1
42 1 7 1 "RMS(OBS, PRED)" N 68 2.909 1
43 1 8 1 "RMS(OBS, PRED)" C 67 1.115 1
44 1 8 1 "RMS(OBS, PRED)" CA 81 1.385 1
45 1 8 1 "RMS(OBS, PRED)" CB 73 1.453 1
46 1 8 1 "RMS(OBS, PRED)" H 68 0.462 1
47 1 8 1 "RMS(OBS, PRED)" HA 87 0.347 1
48 1 8 1 "RMS(OBS, PRED)" N 68 2.472 1
49 1 9 1 "RMS(OBS, PRED)" C 67 1.269 1
50 1 9 1 "RMS(OBS, PRED)" CA 81 1.414 1
51 1 9 1 "RMS(OBS, PRED)" CB 73 1.447 1
52 1 9 1 "RMS(OBS, PRED)" H 68 0.448 1
53 1 9 1 "RMS(OBS, PRED)" HA 87 0.390 1
54 1 9 1 "RMS(OBS, PRED)" N 68 2.878 1
55 1 10 1 "RMS(OBS, PRED)" C 67 1.207 1
56 1 10 1 "RMS(OBS, PRED)" CA 81 1.358 1
57 1 10 1 "RMS(OBS, PRED)" CB 73 1.466 1
58 1 10 1 "RMS(OBS, PRED)" H 68 0.438 1
59 1 10 1 "RMS(OBS, PRED)" HA 87 0.351 1
60 1 10 1 "RMS(OBS, PRED)" N 68 2.725 1
61 1 11 1 "RMS(OBS, PRED)" C 67 1.152 1
62 1 11 1 "RMS(OBS, PRED)" CA 81 1.279 1
63 1 11 1 "RMS(OBS, PRED)" CB 73 1.535 1
64 1 11 1 "RMS(OBS, PRED)" H 68 0.465 1
65 1 11 1 "RMS(OBS, PRED)" HA 87 0.384 1
66 1 11 1 "RMS(OBS, PRED)" N 68 2.490 1
67 1 12 1 "RMS(OBS, PRED)" C 67 1.087 1
68 1 12 1 "RMS(OBS, PRED)" CA 81 1.209 1
69 1 12 1 "RMS(OBS, PRED)" CB 73 1.445 1
70 1 12 1 "RMS(OBS, PRED)" H 68 0.430 1
71 1 12 1 "RMS(OBS, PRED)" HA 87 0.343 1
72 1 12 1 "RMS(OBS, PRED)" N 68 2.676 1
73 1 13 1 "RMS(OBS, PRED)" C 67 1.037 1
74 1 13 1 "RMS(OBS, PRED)" CA 81 1.185 1
75 1 13 1 "RMS(OBS, PRED)" CB 73 1.275 1
76 1 13 1 "RMS(OBS, PRED)" H 68 0.480 1
77 1 13 1 "RMS(OBS, PRED)" HA 87 0.366 1
78 1 13 1 "RMS(OBS, PRED)" N 68 2.694 1
79 1 14 1 "RMS(OBS, PRED)" C 67 1.191 1
80 1 14 1 "RMS(OBS, PRED)" CA 81 1.335 1
81 1 14 1 "RMS(OBS, PRED)" CB 73 1.481 1
82 1 14 1 "RMS(OBS, PRED)" H 68 0.467 1
83 1 14 1 "RMS(OBS, PRED)" HA 87 0.362 1
84 1 14 1 "RMS(OBS, PRED)" N 68 2.778 1
85 1 15 1 "RMS(OBS, PRED)" C 67 1.212 1
86 1 15 1 "RMS(OBS, PRED)" CA 81 1.384 1
87 1 15 1 "RMS(OBS, PRED)" CB 73 1.551 1
88 1 15 1 "RMS(OBS, PRED)" H 68 0.408 1
89 1 15 1 "RMS(OBS, PRED)" HA 87 0.360 1
90 1 15 1 "RMS(OBS, PRED)" N 68 2.416 1
91 1 16 1 "RMS(OBS, PRED)" C 67 1.120 1
92 1 16 1 "RMS(OBS, PRED)" CA 81 1.262 1
93 1 16 1 "RMS(OBS, PRED)" CB 73 1.506 1
94 1 16 1 "RMS(OBS, PRED)" H 68 0.454 1
95 1 16 1 "RMS(OBS, PRED)" HA 87 0.352 1
96 1 16 1 "RMS(OBS, PRED)" N 68 2.570 1
97 1 17 1 "RMS(OBS, PRED)" C 67 1.167 1
98 1 17 1 "RMS(OBS, PRED)" CA 81 1.309 1
99 1 17 1 "RMS(OBS, PRED)" CB 73 1.375 1
100 1 17 1 "RMS(OBS, PRED)" H 68 0.535 1
101 1 17 1 "RMS(OBS, PRED)" HA 87 0.377 1
102 1 17 1 "RMS(OBS, PRED)" N 68 2.936 1
103 1 18 1 "RMS(OBS, PRED)" C 67 1.310 1
104 1 18 1 "RMS(OBS, PRED)" CA 81 1.477 1
105 1 18 1 "RMS(OBS, PRED)" CB 73 1.376 1
106 1 18 1 "RMS(OBS, PRED)" H 68 0.444 1
107 1 18 1 "RMS(OBS, PRED)" HA 87 0.370 1
108 1 18 1 "RMS(OBS, PRED)" N 68 2.820 1
109 1 19 1 "RMS(OBS, PRED)" C 67 1.220 1
110 1 19 1 "RMS(OBS, PRED)" CA 81 1.216 1
111 1 19 1 "RMS(OBS, PRED)" CB 73 1.378 1
112 1 19 1 "RMS(OBS, PRED)" H 68 0.460 1
113 1 19 1 "RMS(OBS, PRED)" HA 87 0.367 1
114 1 19 1 "RMS(OBS, PRED)" N 68 3.117 1
115 1 20 1 "RMS(OBS, PRED)" C 67 1.102 1
116 1 20 1 "RMS(OBS, PRED)" CA 81 1.325 1
117 1 20 1 "RMS(OBS, PRED)" CB 73 1.258 1
118 1 20 1 "RMS(OBS, PRED)" H 68 0.486 1
119 1 20 1 "RMS(OBS, PRED)" HA 87 0.367 1
120 1 20 1 "RMS(OBS, PRED)" N 68 2.993 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 1 . 1 1 A 2 2 GLY H H 2 8.575 8.099 0.476 2
1 2 . 1 1 A 2 2 GLY HA3 H 2 3.941 4.028 -0.087 2
1 3 . 1 1 A 2 2 GLY CA C 2 45.109 45.636 -0.527 2
1 4 . 1 1 A 2 2 GLY N N 2 110.363 110.555 -0.192 2
1 5 . 1 1 A 3 3 HIS H H 3 8.398 8.153 0.245 2
1 7 . 1 1 A 3 3 HIS CA C 3 55.958 56.860 -0.902 2
1 8 . 1 1 A 3 3 HIS CB C 3 29.588 30.312 -0.724 2
1 9 . 1 1 A 3 3 HIS N N 3 118.248 118.176 0.072 2
1 10 . 1 1 A 6 6 HIS HA H 6 4.637 4.680 -0.043 2
1 12 . 1 1 A 6 6 HIS CA C 6 55.805 55.863 -0.058 2
1 13 . 1 1 A 6 6 HIS CB C 6 29.866 31.597 -1.731 2
1 14 . 1 1 A 7 7 HIS H H 7 8.775 8.125 0.650 2
1 15 . 1 1 A 7 7 HIS HA H 7 4.639 4.633 0.006 2
1 18 . 1 1 A 7 7 HIS CA C 7 55.959 55.688 0.271 2
1 19 . 1 1 A 7 7 HIS CB C 7 29.834 31.159 -1.325 2
1 20 . 1 1 A 7 7 HIS N N 7 120.965 118.823 2.142 2
1 21 . 1 1 A 8 8 HIS H H 8 8.591 8.481 0.110 2
1 22 . 1 1 A 8 8 HIS HA H 8 4.447 4.652 -0.205 2
1 25 . 1 1 A 8 8 HIS CA C 8 56.009 56.003 0.006 2
1 26 . 1 1 A 8 8 HIS CB C 8 32.890 31.600 1.290 2
1 27 . 1 1 A 8 8 HIS N N 8 122.251 119.077 3.174 2
1 28 . 1 1 A 9 9 LEU H H 9 8.430 8.158 0.272 2
1 29 . 1 1 A 9 9 LEU HA H 9 4.359 4.321 0.038 2
1 39 . 1 1 A 9 9 LEU C C 9 177.241 176.241 1.000 2
1 40 . 1 1 A 9 9 LEU CA C 9 55.395 54.940 0.455 2
1 41 . 1 1 A 9 9 LEU CB C 9 42.317 43.155 -0.838 2
1 45 . 1 1 A 9 9 LEU N N 9 123.074 121.931 1.143 2
1 46 . 1 1 A 10 10 ASP H H 10 8.358 8.743 -0.385 2
1 47 . 1 1 A 10 10 ASP HA H 10 4.606 4.599 0.007 2
1 50 . 1 1 A 10 10 ASP C C 10 176.490 176.148 0.342 2
1 51 . 1 1 A 10 10 ASP CA C 10 54.541 54.921 -0.380 2
1 52 . 1 1 A 10 10 ASP CB C 10 41.244 41.819 -0.575 2
1 53 . 1 1 A 10 10 ASP N N 10 121.299 125.398 -4.099 2
1 54 . 1 1 A 11 11 SER H H 11 8.212 8.095 0.117 2
1 55 . 1 1 A 11 11 SER HA H 11 4.367 4.462 -0.095 2
1 58 . 1 1 A 11 11 SER C C 11 174.210 174.392 -0.182 2
1 59 . 1 1 A 11 11 SER CA C 11 58.750 59.362 -0.612 2
1 60 . 1 1 A 11 11 SER CB C 11 63.743 64.356 -0.613 2
1 61 . 1 1 A 11 11 SER N N 11 115.863 115.149 0.714 2
1 62 . 1 1 A 12 12 TYR H H 12 8.207 8.179 0.028 2
1 63 . 1 1 A 12 12 TYR HA H 12 4.562 4.593 -0.031 2
1 70 . 1 1 A 12 12 TYR C C 12 175.105 175.600 -0.495 2
1 71 . 1 1 A 12 12 TYR CA C 12 57.994 58.216 -0.222 2
1 72 . 1 1 A 12 12 TYR CB C 12 38.821 39.257 -0.436 2
1 77 . 1 1 A 12 12 TYR N N 12 121.901 120.339 1.562 2
1 78 . 1 1 A 13 13 ALA H H 13 8.033 8.068 -0.035 2
1 79 . 1 1 A 13 13 ALA HA H 13 4.552 4.532 0.020 2
1 83 . 1 1 A 13 13 ALA C C 13 174.997 176.200 -1.203 2
1 84 . 1 1 A 13 13 ALA CA C 13 50.585 51.466 -0.881 2
1 85 . 1 1 A 13 13 ALA CB C 13 18.488 20.335 -1.847 2
1 86 . 1 1 A 13 13 ALA N N 13 126.839 123.526 3.313 2
1 87 . 1 1 A 14 14 PRO HA H 14 4.390 4.477 -0.087 2
1 94 . 1 1 A 14 14 PRO C C 14 176.894 177.074 -0.180 2
1 95 . 1 1 A 14 14 PRO CA C 14 63.199 63.733 -0.534 2
1 96 . 1 1 A 14 14 PRO CB C 14 32.210 32.133 0.077 2
1 99 . 1 1 A 15 15 ARG H H 15 8.492 8.448 0.044 2
1 100 . 1 1 A 15 15 ARG HA H 15 4.357 4.384 -0.027 2
1 104 . 1 1 A 15 15 ARG C C 15 176.040 175.942 0.098 2
1 105 . 1 1 A 15 15 ARG CA C 15 56.029 56.722 -0.693 2
1 106 . 1 1 A 15 15 ARG CB C 15 31.097 30.737 0.360 2
1 108 . 1 1 A 15 15 ARG N N 15 121.148 119.201 1.947 2
1 109 . 1 1 A 16 16 ALA H H 16 8.511 8.004 0.507 2
1 110 . 1 1 A 16 16 ALA HA H 16 4.352 4.512 -0.160 2
1 114 . 1 1 A 16 16 ALA C C 16 177.569 176.929 0.640 2
1 115 . 1 1 A 16 16 ALA CA C 16 52.771 52.237 0.534 2
1 116 . 1 1 A 16 16 ALA CB C 16 19.291 20.829 -1.538 2
1 117 . 1 1 A 16 16 ALA N N 16 125.410 123.071 2.339 2
1 118 . 1 1 A 17 17 GLU H H 17 8.513 8.519 -0.006 2
1 119 . 1 1 A 17 17 GLU HA H 17 4.681 4.561 0.120 2
1 124 . 1 1 A 17 17 GLU C C 17 176.040 175.599 0.441 2
1 125 . 1 1 A 17 17 GLU CA C 17 56.240 55.821 0.419 2
1 126 . 1 1 A 17 17 GLU CB C 17 31.430 31.216 0.214 2
1 128 . 1 1 A 17 17 GLU N N 17 120.135 117.534 2.601 2
1 129 . 1 1 A 20 20 LYS HA H 20 4.642 4.701 -0.059 2
1 132 . 1 1 A 20 20 LYS C C 20 174.395 174.918 -0.523 2
1 133 . 1 1 A 20 20 LYS CA C 20 55.041 54.958 0.083 2
1 134 . 1 1 A 20 20 LYS CB C 20 36.603 36.380 0.224 2
1 135 . 1 1 A 21 21 THR H H 21 8.278 8.276 0.002 2
1 136 . 1 1 A 21 21 THR HA H 21 5.185 4.880 0.305 2
1 141 . 1 1 A 21 21 THR C C 21 174.123 173.546 0.577 2
1 142 . 1 1 A 21 21 THR CA C 21 62.206 61.448 0.758 2
1 143 . 1 1 A 21 21 THR CB C 21 69.740 70.346 -0.606 2
1 145 . 1 1 A 21 21 THR N N 21 118.285 115.117 3.168 2
1 146 . 1 1 A 22 22 PHE H H 22 9.552 9.227 0.325 2
1 147 . 1 1 A 22 22 PHE HA H 22 4.934 5.105 -0.171 2
1 155 . 1 1 A 22 22 PHE CA C 22 57.809 55.824 1.985 2
1 156 . 1 1 A 22 22 PHE CB C 22 43.018 44.103 -1.085 2
1 162 . 1 1 A 22 22 PHE N N 22 125.884 122.197 3.687 2
1 163 . 1 1 A 23 23 SER H H 23 8.489 8.672 -0.183 2
1 164 . 1 1 A 23 23 SER HA H 23 4.874 5.084 -0.210 2
1 167 . 1 1 A 23 23 SER CA C 23 57.308 57.242 0.066 2
1 168 . 1 1 A 23 23 SER CB C 23 65.134 67.235 -2.101 2
1 169 . 1 1 A 23 23 SER N N 23 116.064 114.808 1.256 2
1 170 . 1 1 A 24 24 TYR H H 24 8.561 8.435 0.126 2
1 171 . 1 1 A 24 24 TYR HA H 24 3.787 4.746 -0.959 2
1 178 . 1 1 A 24 24 TYR CA C 24 55.942 55.638 0.304 2
1 179 . 1 1 A 24 24 TYR CB C 24 39.190 40.863 -1.673 2
1 184 . 1 1 A 24 24 TYR N N 24 120.614 118.944 1.670 2
1 185 . 1 1 A 25 25 PRO HA H 25 3.195 4.454 -1.259 2
1 192 . 1 1 A 25 25 PRO CA C 25 61.641 63.514 -1.873 2
1 193 . 1 1 A 25 25 PRO CB C 25 33.950 32.567 1.383 2
1 196 . 1 1 A 29 29 LEU HA H 29 4.651 4.896 -0.246 2
1 199 . 1 1 A 29 29 LEU C C 29 175.676 174.593 1.083 2
1 200 . 1 1 A 29 29 LEU CA C 29 54.443 54.157 0.286 2
1 201 . 1 1 A 29 29 LEU CB C 29 43.096 45.474 -2.378 2
1 204 . 1 1 A 30 30 LEU H H 30 8.665 8.754 -0.089 2
1 205 . 1 1 A 30 30 LEU HA H 30 5.369 5.395 -0.026 2
1 212 . 1 1 A 30 30 LEU C C 30 176.370 175.250 1.120 2
1 213 . 1 1 A 30 30 LEU CA C 30 53.005 53.746 -0.741 2
1 214 . 1 1 A 30 30 LEU CB C 30 43.867 46.067 -2.200 2
1 217 . 1 1 A 30 30 LEU N N 30 126.293 125.492 0.801 2
1 218 . 1 1 A 31 31 LYS H H 31 9.288 9.046 0.242 2
1 219 . 1 1 A 31 31 LYS HA H 31 4.664 4.987 -0.323 2
1 228 . 1 1 A 31 31 LYS C C 31 173.995 174.668 -0.673 2
1 229 . 1 1 A 31 31 LYS CA C 31 54.758 54.392 0.366 2
1 230 . 1 1 A 31 31 LYS CB C 31 37.173 36.280 0.893 2
1 234 . 1 1 A 31 31 LYS N N 31 119.484 119.405 0.079 2
1 235 . 1 1 A 32 32 LEU H H 32 8.724 8.590 0.134 2
1 236 . 1 1 A 32 32 LEU HA H 32 4.972 4.899 0.073 2
1 246 . 1 1 A 32 32 LEU C C 32 177.274 175.544 1.730 2
1 247 . 1 1 A 32 32 LEU CA C 32 54.494 54.534 -0.040 2
1 248 . 1 1 A 32 32 LEU CB C 32 43.119 43.412 -0.293 2
1 252 . 1 1 A 32 32 LEU N N 32 124.082 124.313 -0.231 2
1 253 . 1 1 A 33 33 HIS H H 33 9.361 9.225 0.136 2
1 254 . 1 1 A 33 33 HIS HA H 33 4.698 4.850 -0.152 2
1 257 . 1 1 A 33 33 HIS C C 33 174.092 173.978 0.114 2
1 258 . 1 1 A 33 33 HIS CA C 33 56.497 55.741 0.756 2
1 259 . 1 1 A 33 33 HIS CB C 33 32.274 33.758 -1.484 2
1 260 . 1 1 A 33 33 HIS N N 33 125.743 125.142 0.601 2
1 261 . 1 1 A 34 34 ASP H H 34 9.134 9.105 0.029 2
1 262 . 1 1 A 34 34 ASP HA H 34 4.146 3.993 0.153 2
1 265 . 1 1 A 34 34 ASP C C 34 174.644 175.056 -0.412 2
1 266 . 1 1 A 34 34 ASP CA C 34 55.976 54.936 1.040 2
1 267 . 1 1 A 34 34 ASP CB C 34 39.179 39.375 -0.196 2
1 268 . 1 1 A 34 34 ASP N N 34 128.890 126.521 2.369 2
1 269 . 1 1 A 35 35 GLU H H 35 8.648 8.505 0.143 2
1 270 . 1 1 A 35 35 GLU HA H 35 3.681 3.818 -0.137 2
1 275 . 1 1 A 35 35 GLU C C 35 174.234 174.998 -0.764 2
1 276 . 1 1 A 35 35 GLU CA C 35 57.346 57.930 -0.584 2
1 277 . 1 1 A 35 35 GLU CB C 35 27.735 27.783 -0.048 2
1 279 . 1 1 A 35 35 GLU N N 35 109.734 110.676 -0.942 2
1 280 . 1 1 A 36 36 ARG H H 36 7.710 7.674 0.036 2
1 281 . 1 1 A 36 36 ARG HA H 36 4.515 4.939 -0.424 2
1 285 . 1 1 A 36 36 ARG C C 36 174.063 174.837 -0.774 2
1 286 . 1 1 A 36 36 ARG CA C 36 54.212 54.119 0.093 2
1 287 . 1 1 A 36 36 ARG CB C 36 33.371 33.606 -0.235 2
1 289 . 1 1 A 36 36 ARG N N 36 116.091 118.886 -2.796 2
1 290 . 1 1 A 37 37 VAL H H 37 8.803 8.496 0.307 2
1 291 . 1 1 A 37 37 VAL HA H 37 4.375 4.910 -0.535 2
1 299 . 1 1 A 37 37 VAL C C 37 174.388 174.918 -0.530 2
1 300 . 1 1 A 37 37 VAL CA C 37 62.620 61.200 1.420 2
1 301 . 1 1 A 37 37 VAL CB C 37 31.484 33.419 -1.935 2
1 304 . 1 1 A 37 37 VAL N N 37 122.430 120.423 2.007 2
1 305 . 1 1 A 38 38 LEU H H 38 8.966 9.149 -0.182 2
1 306 . 1 1 A 38 38 LEU HA H 38 5.495 5.328 0.167 2
1 316 . 1 1 A 38 38 LEU C C 38 177.365 176.297 1.068 2
1 317 . 1 1 A 38 38 LEU CA C 38 52.624 53.403 -0.779 2
1 318 . 1 1 A 38 38 LEU CB C 38 46.189 45.300 0.889 2
1 322 . 1 1 A 38 38 LEU N N 38 125.739 127.382 -1.643 2
1 323 . 1 1 A 39 39 VAL H H 39 8.899 9.230 -0.331 2
1 324 . 1 1 A 39 39 VAL HA H 39 4.006 3.949 0.057 2
1 332 . 1 1 A 39 39 VAL C C 39 176.380 176.118 0.262 2
1 333 . 1 1 A 39 39 VAL CA C 39 63.763 63.409 0.354 2
1 334 . 1 1 A 39 39 VAL CB C 39 31.629 31.076 0.554 2
1 337 . 1 1 A 39 39 VAL N N 39 119.125 122.840 -3.715 2
1 338 . 1 1 A 40 40 ALA H H 40 9.755 8.897 0.858 2
1 339 . 1 1 A 40 40 ALA HA H 40 4.533 4.247 0.286 2
1 343 . 1 1 A 40 40 ALA C C 40 176.636 177.138 -0.502 2
1 344 . 1 1 A 40 40 ALA CA C 40 52.536 53.893 -1.357 2
1 345 . 1 1 A 40 40 ALA CB C 40 20.860 20.035 0.825 2
1 346 . 1 1 A 40 40 ALA N N 40 133.618 130.084 3.534 2
1 347 . 1 1 A 41 41 PHE H H 41 7.761 7.481 0.280 2
1 348 . 1 1 A 41 41 PHE HA H 41 4.299 4.800 -0.501 2
1 353 . 1 1 A 41 41 PHE C C 41 172.990 174.248 -1.258 2
1 354 . 1 1 A 41 41 PHE CA C 41 59.306 56.945 2.361 2
1 355 . 1 1 A 41 41 PHE CB C 41 42.621 42.687 -0.066 2
1 358 . 1 1 A 41 41 PHE N N 41 117.497 115.904 1.593 2
1 359 . 1 1 A 42 42 GLY H H 42 7.709 7.904 -0.195 2
1 360 . 1 1 A 42 42 GLY HA2 H 42 4.190 3.907 0.283 2
1 361 . 1 1 A 42 42 GLY HA3 H 42 3.327 3.975 -0.648 2
1 362 . 1 1 A 42 42 GLY C C 42 171.542 174.086 -2.544 2
1 363 . 1 1 A 42 42 GLY CA C 42 44.310 45.376 -1.066 2
1 364 . 1 1 A 42 42 GLY N N 42 114.790 111.101 3.689 2
1 365 . 1 1 A 43 43 GLN HA H 43 4.366 4.286 0.080 2
1 372 . 1 1 A 43 43 GLN CA C 43 55.207 56.205 -0.998 2
1 373 . 1 1 A 43 43 GLN CB C 43 30.347 29.344 1.003 2
1 376 . 1 1 A 49 49 VAL HA H 49 3.386 3.774 -0.388 2
1 384 . 1 1 A 49 49 VAL C C 49 177.680 176.757 0.923 2
1 385 . 1 1 A 49 49 VAL CA C 49 64.730 63.970 0.760 2
1 386 . 1 1 A 49 49 VAL CB C 49 31.489 31.697 -0.208 2
1 389 . 1 1 A 50 50 GLY H H 50 9.040 8.947 0.093 2
1 390 . 1 1 A 50 50 GLY HA2 H 50 4.505 3.904 0.601 2
1 391 . 1 1 A 50 50 GLY HA3 H 50 3.562 3.934 -0.372 2
1 392 . 1 1 A 50 50 GLY C C 50 175.034 174.455 0.579 2
1 393 . 1 1 A 50 50 GLY CA C 50 44.901 45.164 -0.263 2
1 394 . 1 1 A 50 50 GLY N N 50 115.994 114.472 1.522 2
1 395 . 1 1 A 51 51 HIS H H 51 8.228 7.854 0.374 2
1 396 . 1 1 A 51 51 HIS HA H 51 4.614 4.479 0.135 2
1 400 . 1 1 A 51 51 HIS C C 51 174.681 175.023 -0.342 2
1 401 . 1 1 A 51 51 HIS CA C 51 57.434 56.572 0.862 2
1 402 . 1 1 A 51 51 HIS CB C 51 32.934 30.895 2.039 2
1 404 . 1 1 A 51 51 HIS N N 51 120.280 119.292 0.988 2
1 405 . 1 1 A 52 52 ALA H H 52 9.229 9.042 0.187 2
1 406 . 1 1 A 52 52 ALA HA H 52 5.587 5.002 0.585 2
1 410 . 1 1 A 52 52 ALA C C 52 177.988 176.956 1.032 2
1 411 . 1 1 A 52 52 ALA CA C 52 50.053 50.715 -0.662 2
1 412 . 1 1 A 52 52 ALA CB C 52 22.023 21.344 0.679 2
1 413 . 1 1 A 52 52 ALA N N 52 121.598 123.786 -2.188 2
1 414 . 1 1 A 53 53 VAL HA H 53 3.473 3.977 -0.504 2
1 422 . 1 1 A 53 53 VAL C C 53 175.227 175.728 -0.501 2
1 423 . 1 1 A 53 53 VAL CA C 53 63.914 63.121 0.793 2
1 424 . 1 1 A 53 53 VAL CB C 53 32.339 32.197 0.142 2
1 427 . 1 1 A 54 54 LEU H H 54 9.067 9.323 -0.256 2
1 428 . 1 1 A 54 54 LEU HA H 54 4.599 4.575 0.024 2
1 434 . 1 1 A 54 54 LEU C C 54 178.208 176.651 1.557 2
1 435 . 1 1 A 54 54 LEU CA C 54 55.084 55.768 -0.684 2
1 436 . 1 1 A 54 54 LEU CB C 54 43.490 43.774 -0.284 2
1 439 . 1 1 A 54 54 LEU N N 54 126.184 127.687 -1.503 2
1 440 . 1 1 A 55 55 ALA H H 55 7.665 7.570 0.095 2
1 441 . 1 1 A 55 55 ALA HA H 55 4.889 4.923 -0.034 2
1 445 . 1 1 A 55 55 ALA C C 55 175.085 175.205 -0.120 2
1 446 . 1 1 A 55 55 ALA CA C 55 52.600 51.519 1.081 2
1 447 . 1 1 A 55 55 ALA CB C 55 21.847 22.849 -1.002 2
1 448 . 1 1 A 55 55 ALA N N 55 119.807 117.037 2.770 2
1 449 . 1 1 A 56 56 ILE H H 56 8.209 8.755 -0.546 2
1 450 . 1 1 A 56 56 ILE HA H 56 4.643 4.747 -0.104 2
1 460 . 1 1 A 56 56 ILE C C 56 176.001 176.011 -0.010 2
1 461 . 1 1 A 56 56 ILE CA C 56 59.817 59.995 -0.178 2
1 462 . 1 1 A 56 56 ILE CB C 56 41.035 40.709 0.325 2
1 466 . 1 1 A 56 56 ILE N N 56 119.114 118.864 0.250 2
1 467 . 1 1 A 57 57 ASN H H 57 10.090 9.741 0.349 2
1 468 . 1 1 A 57 57 ASN HA H 57 4.523 4.513 0.010 2
1 473 . 1 1 A 57 57 ASN C C 57 175.371 175.438 -0.067 2
1 474 . 1 1 A 57 57 ASN CA C 57 54.161 54.447 -0.286 2
1 475 . 1 1 A 57 57 ASN CB C 57 36.953 36.956 -0.002 2
1 476 . 1 1 A 57 57 ASN N N 57 128.487 126.862 1.625 2
1 478 . 1 1 A 58 58 GLY H H 58 9.200 8.458 0.742 2
1 479 . 1 1 A 58 58 GLY HA2 H 58 4.080 3.872 0.208 2
1 480 . 1 1 A 58 58 GLY HA3 H 58 3.513 3.882 -0.369 2
1 481 . 1 1 A 58 58 GLY C C 58 174.149 173.986 0.163 2
1 482 . 1 1 A 58 58 GLY CA C 58 45.464 45.305 0.159 2
1 483 . 1 1 A 58 58 GLY N N 58 103.720 105.645 -1.925 2
1 484 . 1 1 A 59 59 MET H H 59 7.852 8.162 -0.309 2
1 485 . 1 1 A 59 59 MET HA H 59 4.801 4.434 0.367 2
1 490 . 1 1 A 59 59 MET C C 59 175.661 175.216 0.445 2
1 491 . 1 1 A 59 59 MET CA C 59 53.528 54.456 -0.928 2
1 492 . 1 1 A 59 59 MET CB C 59 33.623 32.638 0.985 2
1 494 . 1 1 A 59 59 MET N N 59 120.479 120.692 -0.213 2
1 495 . 1 1 A 60 60 ASP H H 60 8.931 8.660 0.271 2
1 496 . 1 1 A 60 60 ASP HA H 60 4.696 4.731 -0.035 2
1 499 . 1 1 A 60 60 ASP C C 60 176.608 175.688 0.920 2
1 500 . 1 1 A 60 60 ASP CA C 60 55.789 54.831 0.957 2
1 501 . 1 1 A 60 60 ASP CB C 60 40.793 41.443 -0.650 2
1 502 . 1 1 A 60 60 ASP N N 60 127.746 126.293 1.454 2
1 503 . 1 1 A 61 61 VAL H H 61 7.734 8.736 -1.002 2
1 504 . 1 1 A 61 61 VAL HA H 61 4.216 4.586 -0.370 2
1 512 . 1 1 A 61 61 VAL C C 61 174.993 174.699 0.294 2
1 513 . 1 1 A 61 61 VAL CA C 61 60.816 61.045 -0.229 2
1 514 . 1 1 A 61 61 VAL CB C 61 32.006 33.160 -1.154 2
1 517 . 1 1 A 61 61 VAL N N 61 117.791 121.953 -4.162 2
1 518 . 1 1 A 62 62 ASN H H 62 9.011 8.971 0.040 2
1 519 . 1 1 A 62 62 ASN HA H 62 5.044 4.909 0.135 2
1 524 . 1 1 A 62 62 ASN C C 62 175.375 175.696 -0.321 2
1 525 . 1 1 A 62 62 ASN CA C 62 51.604 52.235 -0.631 2
1 526 . 1 1 A 62 62 ASN CB C 62 39.209 37.866 1.343 2
1 527 . 1 1 A 62 62 ASN N N 62 124.361 124.356 0.005 2
1 529 . 1 1 A 63 63 GLY H H 63 8.699 8.786 -0.087 2
1 530 . 1 1 A 63 63 GLY HA2 H 63 4.267 3.857 0.410 2
1 531 . 1 1 A 63 63 GLY HA3 H 63 3.760 3.881 -0.122 2
1 532 . 1 1 A 63 63 GLY C C 63 173.666 174.465 -0.799 2
1 533 . 1 1 A 63 63 GLY CA C 63 47.919 46.983 0.935 2
1 534 . 1 1 A 63 63 GLY N N 63 113.974 115.073 -1.099 2
1 535 . 1 1 A 64 64 ARG H H 64 8.595 8.355 0.240 2
1 536 . 1 1 A 64 64 ARG HA H 64 4.144 4.364 -0.220 2
1 544 . 1 1 A 64 64 ARG C C 64 175.001 174.868 0.133 2
1 545 . 1 1 A 64 64 ARG CA C 64 55.449 55.746 -0.297 2
1 546 . 1 1 A 64 64 ARG CB C 64 31.649 30.870 0.779 2
1 549 . 1 1 A 64 64 ARG N N 64 124.516 122.130 2.386 2
1 551 . 1 1 A 65 65 TYR H H 65 7.959 7.597 0.362 2
1 552 . 1 1 A 65 65 TYR HA H 65 5.515 5.384 0.131 2
1 559 . 1 1 A 65 65 TYR C C 65 176.353 175.920 0.433 2
1 560 . 1 1 A 65 65 TYR CA C 65 57.143 56.657 0.486 2
1 561 . 1 1 A 65 65 TYR CB C 65 42.338 41.879 0.459 2
1 566 . 1 1 A 65 65 TYR N N 65 119.872 118.949 0.923 2
1 567 . 1 1 A 66 66 THR H H 66 9.651 8.987 0.664 2
1 568 . 1 1 A 66 66 THR HA H 66 4.418 4.460 -0.042 2
1 573 . 1 1 A 66 66 THR C C 66 177.773 175.971 1.802 2
1 574 . 1 1 A 66 66 THR CA C 66 61.270 61.169 0.101 2
1 575 . 1 1 A 66 66 THR CB C 66 71.305 70.655 0.650 2
1 577 . 1 1 A 66 66 THR N N 66 111.062 115.068 -4.006 2
1 578 . 1 1 A 67 67 ALA H H 67 9.388 8.950 0.438 2
1 579 . 1 1 A 67 67 ALA HA H 67 4.109 3.978 0.131 2
1 583 . 1 1 A 67 67 ALA C C 67 177.993 179.434 -1.441 2
1 584 . 1 1 A 67 67 ALA CA C 67 55.247 55.344 -0.097 2
1 585 . 1 1 A 67 67 ALA CB C 67 18.955 18.208 0.747 2
1 586 . 1 1 A 67 67 ALA N N 67 125.051 124.298 0.753 2
1 587 . 1 1 A 68 68 ASP H H 68 7.980 7.862 0.118 2
1 588 . 1 1 A 68 68 ASP HA H 68 4.674 4.590 0.084 2
1 591 . 1 1 A 68 68 ASP C C 68 176.691 176.140 0.551 2
1 592 . 1 1 A 68 68 ASP CA C 68 52.824 54.681 -1.857 2
1 593 . 1 1 A 68 68 ASP CB C 68 39.776 41.262 -1.486 2
1 594 . 1 1 A 68 68 ASP N N 68 111.027 116.566 -5.539 2
1 595 . 1 1 A 69 69 GLY H H 69 8.052 7.787 0.265 2
1 596 . 1 1 A 69 69 GLY HA2 H 69 4.154 4.027 0.127 2
1 597 . 1 1 A 69 69 GLY HA3 H 69 3.569 4.062 -0.493 2
1 598 . 1 1 A 69 69 GLY C C 69 174.525 174.564 -0.039 2
1 599 . 1 1 A 69 69 GLY CA C 69 46.273 44.879 1.394 2
1 600 . 1 1 A 69 69 GLY N N 69 107.666 107.486 0.180 2
1 601 . 1 1 A 70 70 LYS H H 70 7.816 7.575 0.241 2
1 602 . 1 1 A 70 70 LYS HA H 70 4.639 4.348 0.292 2
1 611 . 1 1 A 70 70 LYS C C 70 176.713 176.477 0.236 2
1 612 . 1 1 A 70 70 LYS CA C 70 54.753 56.546 -1.793 2
1 613 . 1 1 A 70 70 LYS CB C 70 32.589 33.467 -0.878 2
1 617 . 1 1 A 70 70 LYS N N 70 120.047 120.609 -0.562 2
1 618 . 1 1 A 71 71 GLU H H 71 9.375 8.600 0.775 2
1 619 . 1 1 A 71 71 GLU HA H 71 4.366 4.375 -0.009 2
1 624 . 1 1 A 71 71 GLU C C 71 177.910 177.815 0.095 2
1 625 . 1 1 A 71 71 GLU CA C 71 58.297 56.986 1.311 2
1 626 . 1 1 A 71 71 GLU CB C 71 29.572 31.095 -1.523 2
1 628 . 1 1 A 71 71 GLU N N 71 124.416 124.700 -0.284 2
1 629 . 1 1 A 72 72 VAL H H 72 9.028 8.811 0.217 2
1 630 . 1 1 A 72 72 VAL HA H 72 3.258 3.730 -0.472 2
1 638 . 1 1 A 72 72 VAL C C 72 177.159 177.223 -0.064 2
1 639 . 1 1 A 72 72 VAL CA C 72 67.561 66.532 1.029 2
1 640 . 1 1 A 72 72 VAL CB C 72 31.962 31.582 0.380 2
1 643 . 1 1 A 72 72 VAL N N 72 128.216 125.281 2.935 2
1 644 . 1 1 A 73 73 LEU H H 73 9.223 8.176 1.047 2
1 645 . 1 1 A 73 73 LEU HA H 73 3.972 3.930 0.041 2
1 655 . 1 1 A 73 73 LEU C C 73 180.513 179.460 1.053 2
1 656 . 1 1 A 73 73 LEU CA C 73 58.658 58.111 0.547 2
1 657 . 1 1 A 73 73 LEU CB C 73 40.458 40.900 -0.442 2
1 661 . 1 1 A 73 73 LEU N N 73 117.712 120.220 -2.508 2
1 662 . 1 1 A 74 74 GLU H H 74 7.456 8.184 -0.728 2
1 663 . 1 1 A 74 74 GLU HA H 74 4.133 3.980 0.153 2
1 668 . 1 1 A 74 74 GLU C C 74 179.695 178.598 1.097 2
1 669 . 1 1 A 74 74 GLU CA C 74 59.092 59.527 -0.435 2
1 670 . 1 1 A 74 74 GLU CB C 74 29.845 29.374 0.471 2
1 672 . 1 1 A 74 74 GLU N N 74 119.823 119.928 -0.105 2
1 673 . 1 1 A 75 75 TYR H H 75 8.706 8.429 0.277 2
1 674 . 1 1 A 75 75 TYR HA H 75 4.047 4.201 -0.154 2
1 681 . 1 1 A 75 75 TYR C C 75 179.408 176.876 2.532 2
1 682 . 1 1 A 75 75 TYR CA C 75 62.106 61.586 0.520 2
1 683 . 1 1 A 75 75 TYR CB C 75 39.275 38.827 0.448 2
1 688 . 1 1 A 75 75 TYR N N 75 123.223 121.570 1.653 2
1 689 . 1 1 A 76 76 LEU H H 76 8.586 8.735 -0.148 2
1 690 . 1 1 A 76 76 LEU HA H 76 4.458 3.934 0.524 2
1 700 . 1 1 A 76 76 LEU C C 76 178.328 179.410 -1.082 2
1 701 . 1 1 A 76 76 LEU CA C 76 55.395 57.867 -2.472 2
1 702 . 1 1 A 76 76 LEU CB C 76 41.315 41.708 -0.393 2
1 706 . 1 1 A 76 76 LEU N N 76 113.641 119.115 -5.474 2
1 707 . 1 1 A 77 77 GLY H H 77 7.868 8.102 -0.234 2
1 708 . 1 1 A 77 77 GLY HA2 H 77 4.541 3.867 0.674 2
1 709 . 1 1 A 77 77 GLY HA3 H 77 3.946 3.931 0.015 2
1 710 . 1 1 A 77 77 GLY C C 77 172.507 174.597 -2.090 2
1 711 . 1 1 A 77 77 GLY CA C 77 45.274 46.560 -1.286 2
1 712 . 1 1 A 77 77 GLY N N 77 108.897 106.537 2.360 2
1 713 . 1 1 A 78 78 ASN H H 78 7.108 7.649 -0.541 2
1 714 . 1 1 A 78 78 ASN HA H 78 5.208 4.809 0.399 2
1 719 . 1 1 A 78 78 ASN C C 78 174.475 175.302 -0.826 2
1 720 . 1 1 A 78 78 ASN CA C 78 49.514 51.003 -1.489 2
1 721 . 1 1 A 78 78 ASN CB C 78 39.531 39.559 -0.028 2
1 722 . 1 1 A 78 78 ASN N N 78 119.451 119.641 -0.190 2
1 724 . 1 1 A 79 79 PRO HA H 79 3.589 3.725 -0.136 2
1 731 . 1 1 A 79 79 PRO C C 79 177.877 177.068 0.809 2
1 732 . 1 1 A 79 79 PRO CA C 79 64.697 63.785 0.912 2
1 733 . 1 1 A 79 79 PRO CB C 79 30.935 31.305 -0.369 2
1 736 . 1 1 A 80 80 ALA H H 80 7.842 8.103 -0.261 2
1 737 . 1 1 A 80 80 ALA HA H 80 4.197 4.101 0.096 2
1 741 . 1 1 A 80 80 ALA C C 80 178.566 177.612 0.954 2
1 742 . 1 1 A 80 80 ALA CA C 80 53.801 53.914 -0.113 2
1 743 . 1 1 A 80 80 ALA CB C 80 18.366 18.326 0.040 2
1 744 . 1 1 A 80 80 ALA N N 80 119.231 119.689 -0.458 2
1 745 . 1 1 A 81 81 ASN H H 81 7.714 7.968 -0.254 2
1 746 . 1 1 A 81 81 ASN HA H 81 4.662 5.029 -0.367 2
1 751 . 1 1 A 81 81 ASN C C 81 172.714 175.682 -2.968 2
1 752 . 1 1 A 81 81 ASN CA C 81 52.960 51.947 1.013 2
1 753 . 1 1 A 81 81 ASN CB C 81 37.946 39.092 -1.146 2
1 754 . 1 1 A 81 81 ASN N N 81 113.680 115.679 -1.999 2
1 756 . 1 1 A 82 82 TYR H H 82 7.299 7.717 -0.418 2
1 757 . 1 1 A 82 82 TYR HA H 82 4.283 4.532 -0.249 2
1 763 . 1 1 A 82 82 TYR C C 82 174.383 176.348 -1.965 2
1 764 . 1 1 A 82 82 TYR CA C 82 57.061 61.016 -3.955 2
1 765 . 1 1 A 82 82 TYR CB C 82 39.447 37.725 1.722 2
1 770 . 1 1 A 82 82 TYR N N 82 118.625 120.871 -2.246 2
1 771 . 1 1 A 83 83 PRO HA H 83 4.381 4.829 -0.448 2
1 778 . 1 1 A 83 83 PRO CA C 83 62.946 62.892 0.054 2
1 779 . 1 1 A 83 83 PRO CB C 83 32.088 31.809 0.279 2
1 782 . 1 1 A 84 84 VAL HA H 84 4.956 5.092 -0.136 2
1 790 . 1 1 A 84 84 VAL CA C 84 59.200 59.513 -0.313 2
1 791 . 1 1 A 84 84 VAL CB C 84 35.235 36.295 -1.060 2
1 794 . 1 1 A 85 85 SER H H 85 8.491 8.686 -0.195 2
1 795 . 1 1 A 85 85 SER HA H 85 5.655 5.400 0.255 2
1 798 . 1 1 A 85 85 SER C C 85 174.729 173.487 1.242 2
1 799 . 1 1 A 85 85 SER CA C 85 56.679 57.645 -0.966 2
1 800 . 1 1 A 85 85 SER CB C 85 64.021 65.068 -1.047 2
1 801 . 1 1 A 85 85 SER N N 85 121.531 118.229 3.302 2
1 802 . 1 1 A 86 86 ILE H H 86 9.318 9.193 0.125 2
1 803 . 1 1 A 86 86 ILE HA H 86 4.803 5.045 -0.242 2
1 813 . 1 1 A 86 86 ILE C C 86 173.918 174.474 -0.556 2
1 814 . 1 1 A 86 86 ILE CA C 86 60.802 59.947 0.855 2
1 815 . 1 1 A 86 86 ILE CB C 86 41.352 42.256 -0.904 2
1 819 . 1 1 A 86 86 ILE N N 86 126.689 124.136 2.553 2
1 820 . 1 1 A 88 88 PHE HA H 88 5.866 5.543 0.323 2
1 826 . 1 1 A 88 88 PHE C C 88 175.891 174.560 1.331 2
1 827 . 1 1 A 88 88 PHE CA C 88 56.349 55.761 0.588 2
1 828 . 1 1 A 88 88 PHE CB C 88 44.020 43.096 0.924 2
1 832 . 1 1 A 89 89 GLY H H 89 8.913 8.747 0.166 2
1 833 . 1 1 A 89 89 GLY HA2 H 89 4.090 4.206 -0.116 2
1 834 . 1 1 A 89 89 GLY HA3 H 89 4.090 4.314 -0.224 2
1 835 . 1 1 A 89 89 GLY C C 89 171.617 171.992 -0.375 2
1 836 . 1 1 A 89 89 GLY CA C 89 45.684 45.918 -0.234 2
1 837 . 1 1 A 89 89 GLY N N 89 105.946 106.993 -1.047 2
1 838 . 1 1 A 90 90 ARG H H 90 8.880 8.508 0.372 2
1 839 . 1 1 A 90 90 ARG HA H 90 4.628 4.517 0.111 2
1 846 . 1 1 A 90 90 ARG CA C 90 54.341 54.595 -0.254 2
1 847 . 1 1 A 90 90 ARG CB C 90 30.326 29.728 0.598 2
1 850 . 1 1 A 90 90 ARG N N 90 123.099 120.927 2.172 2
1 851 . 1 1 A 91 91 PRO HA H 91 4.390 4.502 -0.112 2
1 858 . 1 1 A 91 91 PRO CA C 91 62.994 63.422 -0.428 2
1 859 . 1 1 A 91 91 PRO CB C 91 32.136 32.373 -0.237 2
1 862 . 1 1 A 92 92 ARG H H 92 8.506 8.467 0.039 2
1 863 . 1 1 A 92 92 ARG HA H 92 4.321 4.464 -0.143 2
1 867 . 1 1 A 92 92 ARG C C 92 176.279 175.763 0.516 2
1 868 . 1 1 A 92 92 ARG CA C 92 56.320 56.261 0.059 2
1 869 . 1 1 A 92 92 ARG CB C 92 30.937 32.096 -1.159 2
1 871 . 1 1 A 92 92 ARG N N 92 121.873 120.547 1.326 2
1 872 . 1 1 A 93 93 LEU H H 93 8.537 8.303 0.234 2
1 873 . 1 1 A 93 93 LEU HA H 93 4.479 4.417 0.062 2
1 876 . 1 1 A 93 93 LEU C C 93 177.444 176.839 0.605 2
1 877 . 1 1 A 93 93 LEU CA C 93 55.187 55.638 -0.451 2
1 878 . 1 1 A 93 93 LEU CB C 93 42.551 43.146 -0.595 2
1 879 . 1 1 A 93 93 LEU N N 93 124.440 122.328 2.112 2
1 880 . 1 1 A 94 94 THR H H 94 8.183 8.406 -0.223 2
1 881 . 1 1 A 94 94 THR HA H 94 4.444 4.351 0.093 2
1 886 . 1 1 A 94 94 THR C C 94 174.383 174.897 -0.514 2
1 887 . 1 1 A 94 94 THR CA C 94 61.515 62.975 -1.460 2
1 888 . 1 1 A 94 94 THR CB C 94 70.080 69.360 0.720 2
1 890 . 1 1 A 94 94 THR N N 94 114.261 114.935 -0.674 2
1 891 . 1 1 A 95 95 SER H H 95 8.394 8.259 0.135 2
1 892 . 1 1 A 95 95 SER HA H 95 4.502 4.394 0.108 2
1 895 . 1 1 A 95 95 SER C C 95 173.465 174.609 -1.144 2
1 896 . 1 1 A 95 95 SER CA C 95 58.383 59.920 -1.537 2
1 897 . 1 1 A 95 95 SER CB C 95 64.103 63.220 0.883 2
1 898 . 1 1 A 95 95 SER N N 95 117.878 117.359 0.519 2
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