data_16096_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16096
_Entry.PDB_ID 2KCT
_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 ALA HA H 44 4.214 5.196 -0.982 1
1 5 . 1 1 1 A 2 2 ALA C C 44 173.758 174.952 -1.194 1
1 6 . 1 1 1 A 2 2 ALA CA C 44 51.848 50.726 1.122 1
1 7 . 1 1 1 A 2 2 ALA CB C 44 19.505 23.984 -4.479 1
1 8 . 1 1 1 A 3 3 THR H H 45 8.709 8.514 0.195 1
1 9 . 1 1 1 A 3 3 THR HA H 45 4.694 5.068 -0.374 1
1 14 . 1 1 1 A 3 3 THR CA C 45 60.191 59.244 0.947 1
1 15 . 1 1 1 A 3 3 THR CB C 45 69.815 69.978 -0.163 1
1 17 . 1 1 1 A 3 3 THR N N 45 116.649 110.012 6.637 1
1 18 . 1 1 1 A 4 4 PRO HA H 46 4.412 4.593 -0.181 1
1 25 . 1 1 1 A 4 4 PRO C C 46 177.212 176.573 0.639 1
1 26 . 1 1 1 A 4 4 PRO CA C 46 63.698 62.159 1.539 1
1 27 . 1 1 1 A 4 4 PRO CB C 46 32.117 32.671 -0.554 1
1 30 . 1 1 1 A 5 5 GLN H H 47 8.463 8.271 0.192 1
1 31 . 1 1 1 A 5 5 GLN HA H 47 4.260 4.219 0.041 1
1 38 . 1 1 1 A 5 5 GLN C C 47 176.073 175.148 0.925 1
1 39 . 1 1 1 A 5 5 GLN CA C 47 56.328 55.692 0.636 1
1 40 . 1 1 1 A 5 5 GLN CB C 47 29.286 28.701 0.585 1
1 43 . 1 1 1 A 5 5 GLN N N 47 119.945 118.688 1.257 1
1 45 . 1 1 1 A 6 6 ASP H H 48 8.276 8.365 -0.089 1
1 46 . 1 1 1 A 6 6 ASP HA H 48 4.558 4.479 0.079 1
1 49 . 1 1 1 A 6 6 ASP C C 48 176.454 177.728 -1.274 1
1 50 . 1 1 1 A 6 6 ASP CA C 48 54.538 54.711 -0.173 1
1 51 . 1 1 1 A 6 6 ASP CB C 48 40.873 42.650 -1.777 1
1 52 . 1 1 1 A 6 6 ASP N N 48 120.974 122.965 -1.991 1
1 53 . 1 1 1 A 7 7 LYS H H 49 8.218 8.881 -0.663 1
1 54 . 1 1 1 A 7 7 LYS HA H 49 4.264 4.053 0.211 1
1 63 . 1 1 1 A 7 7 LYS C C 49 176.665 178.116 -1.451 1
1 64 . 1 1 1 A 7 7 LYS CA C 49 56.655 59.316 -2.661 1
1 65 . 1 1 1 A 7 7 LYS CB C 49 32.837 32.436 0.401 1
1 69 . 1 1 1 A 7 7 LYS N N 49 120.950 126.231 -5.281 1
1 70 . 1 1 1 A 8 8 LEU H H 50 8.010 7.518 0.492 1
1 71 . 1 1 1 A 8 8 LEU HA H 50 4.279 4.518 -0.239 1
1 81 . 1 1 1 A 8 8 LEU C C 50 177.110 176.365 0.745 1
1 82 . 1 1 1 A 8 8 LEU CA C 50 55.353 54.121 1.232 1
1 83 . 1 1 1 A 8 8 LEU CB C 50 42.302 41.323 0.979 1
1 87 . 1 1 1 A 8 8 LEU N N 50 121.105 117.619 3.486 1
1 88 . 1 1 1 A 9 9 HIS H H 51 8.411 7.466 0.945 1
1 89 . 1 1 1 A 9 9 HIS HA H 51 4.780 4.504 0.276 1
1 92 . 1 1 1 A 9 9 HIS C C 51 174.285 175.142 -0.857 1
1 93 . 1 1 1 A 9 9 HIS CA C 51 55.320 55.551 -0.231 1
1 94 . 1 1 1 A 9 9 HIS CB C 51 28.827 29.448 -0.621 1
1 95 . 1 1 1 A 9 9 HIS N N 51 119.035 117.967 1.068 1
1 96 . 1 1 1 A 10 10 THR H H 52 8.178 8.209 -0.031 1
1 97 . 1 1 1 A 10 10 THR HA H 52 4.488 4.271 0.217 1
1 102 . 1 1 1 A 10 10 THR C C 52 173.766 174.207 -0.441 1
1 103 . 1 1 1 A 10 10 THR CA C 52 62.392 62.552 -0.160 1
1 104 . 1 1 1 A 10 10 THR CB C 52 70.104 70.076 0.028 1
1 106 . 1 1 1 A 10 10 THR N N 52 117.285 120.087 -2.802 1
1 107 . 1 1 1 A 11 11 VAL H H 53 9.088 8.520 0.568 1
1 108 . 1 1 1 A 11 11 VAL HA H 53 4.464 4.529 -0.065 1
1 116 . 1 1 1 A 11 11 VAL C C 53 174.048 174.621 -0.573 1
1 117 . 1 1 1 A 11 11 VAL CA C 53 61.359 61.516 -0.157 1
1 118 . 1 1 1 A 11 11 VAL CB C 53 34.602 31.922 2.680 1
1 121 . 1 1 1 A 11 11 VAL N N 53 123.969 126.377 -2.408 1
1 122 . 1 1 1 A 12 12 ARG H H 54 8.386 8.840 -0.454 1
1 123 . 1 1 1 A 12 12 ARG HA H 54 5.495 4.790 0.705 1
1 131 . 1 1 1 A 12 12 ARG C C 54 175.364 174.843 0.521 1
1 132 . 1 1 1 A 12 12 ARG CA C 54 54.401 55.452 -1.051 1
1 133 . 1 1 1 A 12 12 ARG CB C 54 32.753 31.111 1.642 1
1 136 . 1 1 1 A 12 12 ARG N N 54 125.294 128.740 -3.446 1
1 138 . 1 1 1 A 13 13 LEU H H 55 8.828 8.578 0.250 1
1 139 . 1 1 1 A 13 13 LEU HA H 55 4.726 5.212 -0.486 1
1 149 . 1 1 1 A 13 13 LEU C C 55 174.223 174.172 0.051 1
1 150 . 1 1 1 A 13 13 LEU CA C 55 53.309 52.724 0.585 1
1 151 . 1 1 1 A 13 13 LEU CB C 55 45.884 46.038 -0.154 1
1 155 . 1 1 1 A 13 13 LEU N N 55 124.874 128.184 -3.310 1
1 156 . 1 1 1 A 14 14 PHE H H 56 8.195 9.014 -0.819 1
1 157 . 1 1 1 A 14 14 PHE HA H 56 5.576 5.488 0.088 1
1 165 . 1 1 1 A 14 14 PHE C C 56 175.266 175.678 -0.412 1
1 166 . 1 1 1 A 14 14 PHE CA C 56 55.009 55.641 -0.632 1
1 167 . 1 1 1 A 14 14 PHE CB C 56 42.340 42.314 0.026 1
1 173 . 1 1 1 A 14 14 PHE N N 56 118.334 124.772 -6.438 1
1 174 . 1 1 1 A 15 15 GLY H H 57 8.134 8.040 0.094 1
1 175 . 1 1 1 A 15 15 GLY HA2 H 57 4.229 4.241 -0.012 1
1 176 . 1 1 1 A 15 15 GLY HA3 H 57 4.004 4.262 -0.258 1
1 177 . 1 1 1 A 15 15 GLY C C 57 171.108 171.550 -0.442 1
1 178 . 1 1 1 A 15 15 GLY CA C 57 45.857 46.185 -0.328 1
1 179 . 1 1 1 A 15 15 GLY N N 57 109.159 109.509 -0.350 1
1 180 . 1 1 1 A 16 16 THR H H 58 8.595 8.376 0.219 1
1 181 . 1 1 1 A 16 16 THR HA H 58 5.114 5.085 0.029 1
1 186 . 1 1 1 A 16 16 THR C C 58 174.484 173.499 0.985 1
1 187 . 1 1 1 A 16 16 THR CA C 58 60.591 61.319 -0.728 1
1 188 . 1 1 1 A 16 16 THR CB C 58 71.164 71.738 -0.574 1
1 190 . 1 1 1 A 16 16 THR N N 58 113.580 115.385 -1.805 1
1 191 . 1 1 1 A 17 17 VAL H H 59 8.053 8.408 -0.355 1
1 192 . 1 1 1 A 17 17 VAL HA H 59 3.876 4.297 -0.421 1
1 200 . 1 1 1 A 17 17 VAL C C 59 176.315 175.863 0.452 1
1 201 . 1 1 1 A 17 17 VAL CA C 59 63.549 62.864 0.685 1
1 202 . 1 1 1 A 17 17 VAL CB C 59 32.779 31.803 0.976 1
1 205 . 1 1 1 A 17 17 VAL N N 59 124.410 126.600 -2.190 1
1 206 . 1 1 1 A 18 18 ALA H H 60 8.931 8.153 0.778 1
1 207 . 1 1 1 A 18 18 ALA HA H 60 4.354 4.641 -0.287 1
1 211 . 1 1 1 A 18 18 ALA C C 60 177.293 177.807 -0.514 1
1 212 . 1 1 1 A 18 18 ALA CA C 60 52.138 51.177 0.961 1
1 213 . 1 1 1 A 18 18 ALA CB C 60 19.782 20.713 -0.931 1
1 214 . 1 1 1 A 18 18 ALA N N 60 133.912 129.503 4.409 1
1 215 . 1 1 1 A 19 19 ALA H H 61 8.548 8.616 -0.068 1
1 216 . 1 1 1 A 19 19 ALA HA H 61 4.105 4.221 -0.116 1
1 220 . 1 1 1 A 19 19 ALA C C 61 178.793 176.675 2.118 1
1 221 . 1 1 1 A 19 19 ALA CA C 61 54.218 54.039 0.179 1
1 222 . 1 1 1 A 19 19 ALA CB C 61 18.969 19.495 -0.526 1
1 223 . 1 1 1 A 19 19 ALA N N 61 121.667 121.124 0.543 1
1 224 . 1 1 1 A 20 20 ASP H H 62 8.117 8.124 -0.007 1
1 225 . 1 1 1 A 20 20 ASP HA H 62 4.602 4.408 0.194 1
1 228 . 1 1 1 A 20 20 ASP C C 62 177.210 177.173 0.037 1
1 229 . 1 1 1 A 20 20 ASP CA C 62 54.575 55.613 -1.038 1
1 230 . 1 1 1 A 20 20 ASP CB C 62 41.188 40.984 0.204 1
1 231 . 1 1 1 A 20 20 ASP N N 62 115.534 118.024 -2.490 1
1 232 . 1 1 1 A 21 21 GLY H H 63 8.996 9.194 -0.198 1
1 233 . 1 1 1 A 21 21 GLY HA2 H 63 4.311 4.113 0.198 1
1 234 . 1 1 1 A 21 21 GLY HA3 H 63 3.888 4.365 -0.477 1
1 235 . 1 1 1 A 21 21 GLY C C 63 173.384 174.443 -1.059 1
1 236 . 1 1 1 A 21 21 GLY CA C 63 46.124 45.723 0.401 1
1 237 . 1 1 1 A 21 21 GLY N N 63 112.754 115.108 -2.354 1
1 238 . 1 1 1 A 22 22 LEU H H 64 7.380 7.589 -0.209 1
1 239 . 1 1 1 A 22 22 LEU HA H 64 4.964 4.780 0.184 1
1 249 . 1 1 1 A 22 22 LEU C C 64 178.011 175.006 3.005 1
1 250 . 1 1 1 A 22 22 LEU CA C 64 57.159 54.394 2.765 1
1 251 . 1 1 1 A 22 22 LEU CB C 64 42.160 41.526 0.634 1
1 255 . 1 1 1 A 22 22 LEU N N 64 123.991 123.707 0.284 1
1 256 . 1 1 1 A 23 23 THR H H 65 9.752 9.042 0.710 1
1 257 . 1 1 1 A 23 23 THR HA H 65 4.755 4.974 -0.219 1
1 262 . 1 1 1 A 23 23 THR C C 65 173.249 174.127 -0.878 1
1 263 . 1 1 1 A 23 23 THR CA C 65 61.231 62.113 -0.882 1
1 264 . 1 1 1 A 23 23 THR CB C 65 71.995 70.093 1.902 1
1 266 . 1 1 1 A 23 23 THR N N 65 124.024 122.933 1.091 1
1 267 . 1 1 1 A 24 24 MET H H 66 8.881 8.518 0.363 1
1 268 . 1 1 1 A 24 24 MET HA H 66 5.019 4.824 0.195 1
1 276 . 1 1 1 A 24 24 MET C C 66 176.750 176.647 0.103 1
1 277 . 1 1 1 A 24 24 MET CA C 66 54.452 54.205 0.247 1
1 278 . 1 1 1 A 24 24 MET CB C 66 31.809 34.127 -2.318 1
1 281 . 1 1 1 A 24 24 MET N N 66 125.215 126.657 -1.442 1
1 282 . 1 1 1 A 25 25 LEU H H 67 8.037 8.408 -0.371 1
1 283 . 1 1 1 A 25 25 LEU HA H 67 4.253 4.242 0.011 1
1 293 . 1 1 1 A 25 25 LEU C C 67 176.617 176.239 0.378 1
1 294 . 1 1 1 A 25 25 LEU CA C 67 55.259 55.147 0.112 1
1 295 . 1 1 1 A 25 25 LEU CB C 67 41.019 41.364 -0.345 1
1 299 . 1 1 1 A 25 25 LEU N N 67 123.282 121.594 1.688 1
1 300 . 1 1 1 A 26 26 ASP H H 68 8.419 8.903 -0.484 1
1 301 . 1 1 1 A 26 26 ASP HA H 68 4.695 4.294 0.401 1
1 304 . 1 1 1 A 26 26 ASP C C 68 176.728 177.115 -0.387 1
1 305 . 1 1 1 A 26 26 ASP CA C 68 53.907 55.907 -2.000 1
1 306 . 1 1 1 A 26 26 ASP CB C 68 41.338 40.004 1.334 1
1 307 . 1 1 1 A 26 26 ASP N N 68 120.434 125.500 -5.066 1
1 308 . 1 1 1 A 27 27 GLY H H 69 8.607 8.681 -0.074 1
1 309 . 1 1 1 A 27 27 GLY HA2 H 69 4.055 3.878 0.177 1
1 310 . 1 1 1 A 27 27 GLY HA3 H 69 3.665 3.880 -0.215 1
1 311 . 1 1 1 A 27 27 GLY C C 69 173.151 173.624 -0.473 1
1 312 . 1 1 1 A 27 27 GLY CA C 69 45.895 45.932 -0.037 1
1 313 . 1 1 1 A 27 27 GLY N N 69 112.545 112.196 0.349 1
1 314 . 1 1 1 A 28 28 ALA H H 70 7.634 7.405 0.229 1
1 315 . 1 1 1 A 28 28 ALA HA H 70 4.575 4.810 -0.235 1
1 319 . 1 1 1 A 28 28 ALA C C 70 174.090 174.496 -0.406 1
1 320 . 1 1 1 A 28 28 ALA CA C 70 50.137 49.920 0.217 1
1 321 . 1 1 1 A 28 28 ALA CB C 70 19.221 21.762 -2.541 1
1 322 . 1 1 1 A 28 28 ALA N N 70 125.545 120.280 5.265 1
1 323 . 1 1 1 A 29 29 PRO HA H 71 4.462 4.790 -0.328 1
1 330 . 1 1 1 A 29 29 PRO C C 71 176.671 176.155 0.516 1
1 331 . 1 1 1 A 29 29 PRO CA C 71 63.021 63.175 -0.154 1
1 332 . 1 1 1 A 29 29 PRO CB C 71 32.015 31.497 0.518 1
1 335 . 1 1 1 A 30 30 GLY H H 72 7.988 8.001 -0.013 1
1 336 . 1 1 1 A 30 30 GLY HA2 H 72 5.001 4.117 0.884 1
1 337 . 1 1 1 A 30 30 GLY HA3 H 72 3.991 4.126 -0.135 1
1 338 . 1 1 1 A 30 30 GLY C C 72 172.906 171.176 1.730 1
1 339 . 1 1 1 A 30 30 GLY CA C 72 45.642 45.017 0.625 1
1 340 . 1 1 1 A 30 30 GLY N N 72 109.355 110.177 -0.822 1
1 341 . 1 1 1 A 31 31 VAL H H 73 9.332 8.681 0.651 1
1 342 . 1 1 1 A 31 31 VAL HA H 73 5.194 4.896 0.298 1
1 350 . 1 1 1 A 31 31 VAL C C 73 171.443 173.069 -1.626 1
1 351 . 1 1 1 A 31 31 VAL CA C 73 60.233 59.786 0.447 1
1 352 . 1 1 1 A 31 31 VAL CB C 73 35.471 35.552 -0.081 1
1 355 . 1 1 1 A 31 31 VAL N N 73 116.539 118.642 -2.103 1
1 356 . 1 1 1 A 32 32 ARG H H 74 8.956 9.271 -0.315 1
1 357 . 1 1 1 A 32 32 ARG HA H 74 5.999 5.644 0.355 1
1 365 . 1 1 1 A 32 32 ARG C C 74 174.581 175.250 -0.669 1
1 366 . 1 1 1 A 32 32 ARG CA C 74 54.187 54.621 -0.434 1
1 367 . 1 1 1 A 32 32 ARG CB C 74 33.463 32.575 0.888 1
1 370 . 1 1 1 A 32 32 ARG N N 74 127.557 129.699 -2.142 1
1 372 . 1 1 1 A 33 33 PHE H H 75 9.262 8.854 0.408 1
1 373 . 1 1 1 A 33 33 PHE HA H 75 5.461 5.361 0.100 1
1 381 . 1 1 1 A 33 33 PHE C C 75 171.210 172.963 -1.753 1
1 382 . 1 1 1 A 33 33 PHE CA C 75 55.947 56.109 -0.162 1
1 383 . 1 1 1 A 33 33 PHE CB C 75 41.151 41.211 -0.060 1
1 389 . 1 1 1 A 33 33 PHE N N 75 120.514 120.973 -0.459 1
1 390 . 1 1 1 A 34 34 ARG H H 76 9.921 8.589 1.332 1
1 391 . 1 1 1 A 34 34 ARG HA H 76 4.368 4.499 -0.131 1
1 399 . 1 1 1 A 34 34 ARG C C 76 173.994 174.566 -0.572 1
1 400 . 1 1 1 A 34 34 ARG CA C 76 54.594 54.783 -0.189 1
1 401 . 1 1 1 A 34 34 ARG CB C 76 31.539 30.512 1.027 1
1 404 . 1 1 1 A 34 34 ARG N N 76 122.011 118.727 3.284 1
1 406 . 1 1 1 A 35 35 LEU H H 77 8.781 8.702 0.079 1
1 407 . 1 1 1 A 35 35 LEU HA H 77 4.755 4.831 -0.076 1
1 417 . 1 1 1 A 35 35 LEU C C 77 176.305 174.809 1.496 1
1 418 . 1 1 1 A 35 35 LEU CA C 77 53.188 54.442 -1.254 1
1 419 . 1 1 1 A 35 35 LEU CB C 77 44.689 42.887 1.802 1
1 423 . 1 1 1 A 35 35 LEU N N 77 127.038 126.286 0.752 1
1 424 . 1 1 1 A 36 36 GLU H H 78 9.342 8.630 0.712 1
1 425 . 1 1 1 A 36 36 GLU HA H 78 4.531 4.537 -0.006 1
1 430 . 1 1 1 A 36 36 GLU C C 78 175.380 175.690 -0.310 1
1 431 . 1 1 1 A 36 36 GLU CA C 78 54.829 56.217 -1.388 1
1 432 . 1 1 1 A 36 36 GLU CB C 78 29.842 30.235 -0.393 1
1 434 . 1 1 1 A 36 36 GLU N N 78 126.891 127.138 -0.247 1
1 435 . 1 1 1 A 37 37 ASP H H 79 8.418 8.385 0.033 1
1 436 . 1 1 1 A 37 37 ASP HA H 79 4.630 4.570 0.060 1
1 439 . 1 1 1 A 37 37 ASP C C 79 176.623 177.417 -0.794 1
1 440 . 1 1 1 A 37 37 ASP CA C 79 53.996 54.866 -0.870 1
1 441 . 1 1 1 A 37 37 ASP CB C 79 41.401 42.137 -0.736 1
1 442 . 1 1 1 A 37 37 ASP N N 79 125.084 126.787 -1.703 1
1 443 . 1 1 1 A 38 38 LYS H H 80 8.691 8.925 -0.234 1
1 444 . 1 1 1 A 38 38 LYS HA H 80 4.064 4.034 0.030 1
1 453 . 1 1 1 A 38 38 LYS C C 80 176.779 178.466 -1.687 1
1 454 . 1 1 1 A 38 38 LYS CA C 80 57.994 58.998 -1.004 1
1 455 . 1 1 1 A 38 38 LYS CB C 80 32.404 32.064 0.340 1
1 459 . 1 1 1 A 38 38 LYS N N 80 124.179 126.828 -2.649 1
1 460 . 1 1 1 A 39 39 ASP H H 81 8.355 7.312 1.043 1
1 461 . 1 1 1 A 39 39 ASP HA H 81 4.591 4.439 0.152 1
1 464 . 1 1 1 A 39 39 ASP C C 81 175.682 176.107 -0.425 1
1 465 . 1 1 1 A 39 39 ASP CA C 81 54.888 56.950 -2.062 1
1 466 . 1 1 1 A 39 39 ASP CB C 81 41.040 41.729 -0.689 1
1 467 . 1 1 1 A 39 39 ASP N N 81 117.392 119.386 -1.994 1
1 468 . 1 1 1 A 40 40 ASN H H 82 7.954 7.849 0.105 1
1 469 . 1 1 1 A 40 40 ASN HA H 82 4.785 4.985 -0.200 1
1 474 . 1 1 1 A 40 40 ASN C C 82 175.435 175.127 0.308 1
1 475 . 1 1 1 A 40 40 ASN CA C 82 53.032 51.911 1.121 1
1 476 . 1 1 1 A 40 40 ASN CB C 82 38.471 39.672 -1.201 1
1 478 . 1 1 1 A 40 40 ASN N N 82 117.785 116.741 1.044 1
1 480 . 1 1 1 A 41 41 THR H H 83 8.518 8.739 -0.221 1
1 481 . 1 1 1 A 41 41 THR HA H 83 4.243 4.378 -0.135 1
1 486 . 1 1 1 A 41 41 THR C C 83 175.191 174.905 0.286 1
1 487 . 1 1 1 A 41 41 THR CA C 83 63.584 63.690 -0.106 1
1 488 . 1 1 1 A 41 41 THR CB C 83 69.267 68.602 0.665 1
1 490 . 1 1 1 A 41 41 THR N N 83 114.265 118.749 -4.484 1
1 491 . 1 1 1 A 42 42 SER H H 84 8.179 7.717 0.462 1
1 492 . 1 1 1 A 42 42 SER HA H 84 4.439 4.511 -0.072 1
1 495 . 1 1 1 A 42 42 SER C C 84 174.269 174.392 -0.123 1
1 496 . 1 1 1 A 42 42 SER CA C 84 59.222 58.596 0.626 1
1 497 . 1 1 1 A 42 42 SER CB C 84 63.627 64.246 -0.619 1
1 498 . 1 1 1 A 42 42 SER N N 84 115.576 114.706 0.870 1
1 499 . 1 1 1 A 43 43 LYS H H 85 7.911 7.400 0.511 1
1 500 . 1 1 1 A 43 43 LYS HA H 85 4.460 4.257 0.203 1
1 509 . 1 1 1 A 43 43 LYS C C 85 175.440 175.336 0.104 1
1 510 . 1 1 1 A 43 43 LYS CA C 85 55.961 55.868 0.093 1
1 511 . 1 1 1 A 43 43 LYS CB C 85 33.032 31.613 1.419 1
1 515 . 1 1 1 A 43 43 LYS N N 85 123.691 122.829 0.862 1
1 516 . 1 1 1 A 44 44 THR H H 86 8.165 8.024 0.141 1
1 517 . 1 1 1 A 44 44 THR HA H 86 4.904 5.187 -0.283 1
1 522 . 1 1 1 A 44 44 THR C C 86 173.685 173.243 0.442 1
1 523 . 1 1 1 A 44 44 THR CA C 86 60.794 60.881 -0.087 1
1 524 . 1 1 1 A 44 44 THR CB C 86 71.046 70.140 0.906 1
1 526 . 1 1 1 A 44 44 THR N N 86 117.392 117.440 -0.048 1
1 527 . 1 1 1 A 45 45 VAL H H 87 8.155 8.758 -0.603 1
1 528 . 1 1 1 A 45 45 VAL HA H 87 4.402 4.319 0.083 1
1 536 . 1 1 1 A 45 45 VAL C C 87 174.343 175.214 -0.871 1
1 537 . 1 1 1 A 45 45 VAL CA C 87 60.551 60.943 -0.392 1
1 538 . 1 1 1 A 45 45 VAL CB C 87 35.225 32.974 2.251 1
1 541 . 1 1 1 A 45 45 VAL N N 87 123.105 126.356 -3.251 1
1 542 . 1 1 1 A 46 46 TRP H H 88 8.574 8.845 -0.271 1
1 543 . 1 1 1 A 46 46 TRP HA H 88 4.789 5.055 -0.266 1
1 552 . 1 1 1 A 46 46 TRP C C 88 175.287 175.558 -0.271 1
1 553 . 1 1 1 A 46 46 TRP CA C 88 57.716 56.911 0.805 1
1 554 . 1 1 1 A 46 46 TRP CB C 88 30.822 28.663 2.159 1
1 560 . 1 1 1 A 46 46 TRP N N 88 126.326 129.012 -2.686 1
1 562 . 1 1 1 A 47 47 VAL H H 89 9.550 8.676 0.874 1
1 563 . 1 1 1 A 47 47 VAL HA H 89 4.884 4.577 0.307 1
1 571 . 1 1 1 A 47 47 VAL C C 89 173.675 174.099 -0.424 1
1 572 . 1 1 1 A 47 47 VAL CA C 89 60.713 62.246 -1.533 1
1 573 . 1 1 1 A 47 47 VAL CB C 89 33.847 31.739 2.108 1
1 576 . 1 1 1 A 47 47 VAL N N 89 123.380 125.316 -1.936 1
1 577 . 1 1 1 A 48 48 LEU H H 90 8.757 9.183 -0.426 1
1 578 . 1 1 1 A 48 48 LEU HA H 90 5.181 5.300 -0.119 1
1 588 . 1 1 1 A 48 48 LEU C C 90 175.118 173.962 1.156 1
1 589 . 1 1 1 A 48 48 LEU CA C 90 53.567 53.133 0.434 1
1 590 . 1 1 1 A 48 48 LEU CB C 90 45.758 44.942 0.816 1
1 594 . 1 1 1 A 48 48 LEU N N 90 125.653 129.937 -4.284 1
1 595 . 1 1 1 A 49 49 TYR H H 91 9.355 9.199 0.156 1
1 596 . 1 1 1 A 49 49 TYR HA H 91 5.196 5.447 -0.251 1
1 603 . 1 1 1 A 49 49 TYR C C 91 172.437 174.032 -1.595 1
1 604 . 1 1 1 A 49 49 TYR CA C 91 56.490 56.332 0.158 1
1 605 . 1 1 1 A 49 49 TYR CB C 91 41.602 41.657 -0.055 1
1 610 . 1 1 1 A 49 49 TYR N N 91 129.351 128.365 0.986 1
1 611 . 1 1 1 A 50 50 LYS H H 92 7.805 8.388 -0.583 1
1 612 . 1 1 1 A 50 50 LYS HA H 92 4.450 4.674 -0.224 1
1 621 . 1 1 1 A 50 50 LYS C C 92 173.949 175.620 -1.671 1
1 622 . 1 1 1 A 50 50 LYS CA C 92 55.264 54.679 0.585 1
1 623 . 1 1 1 A 50 50 LYS CB C 92 32.484 35.025 -2.541 1
1 627 . 1 1 1 A 50 50 LYS N N 92 127.571 126.718 0.853 1
1 628 . 1 1 1 A 51 51 GLY H H 93 7.147 8.123 -0.976 1
1 629 . 1 1 1 A 51 51 GLY HA2 H 93 3.810 3.891 -0.081 1
1 630 . 1 1 1 A 51 51 GLY HA3 H 93 3.609 3.993 -0.384 1
1 631 . 1 1 1 A 51 51 GLY C C 93 170.582 173.449 -2.867 1
1 632 . 1 1 1 A 51 51 GLY CA C 93 43.645 43.667 -0.022 1
1 633 . 1 1 1 A 51 51 GLY N N 93 111.723 108.904 2.819 1
1 634 . 1 1 1 A 52 52 ALA H H 94 8.185 8.114 0.071 1
1 635 . 1 1 1 A 52 52 ALA HA H 94 4.273 4.351 -0.078 1
1 639 . 1 1 1 A 52 52 ALA C C 94 178.775 177.358 1.417 1
1 640 . 1 1 1 A 52 52 ALA CA C 94 52.381 52.205 0.176 1
1 641 . 1 1 1 A 52 52 ALA CB C 94 18.392 18.758 -0.366 1
1 642 . 1 1 1 A 52 52 ALA N N 94 119.165 123.365 -4.200 1
1 643 . 1 1 1 A 53 53 VAL H H 95 8.967 8.664 0.303 1
1 644 . 1 1 1 A 53 53 VAL HA H 95 4.200 4.440 -0.240 1
1 652 . 1 1 1 A 53 53 VAL C C 95 174.416 174.749 -0.333 1
1 653 . 1 1 1 A 53 53 VAL CA C 95 60.028 59.920 0.108 1
1 654 . 1 1 1 A 53 53 VAL CB C 95 32.712 31.928 0.784 1
1 657 . 1 1 1 A 53 53 VAL N N 95 127.597 124.816 2.781 1
1 658 . 1 1 1 A 54 54 PRO HA H 96 4.609 4.549 0.060 1
1 665 . 1 1 1 A 54 54 PRO C C 96 177.752 177.090 0.662 1
1 666 . 1 1 1 A 54 54 PRO CA C 96 62.907 62.830 0.077 1
1 667 . 1 1 1 A 54 54 PRO CB C 96 32.850 32.840 0.010 1
1 670 . 1 1 1 A 55 55 ASP H H 97 9.047 8.684 0.363 1
1 671 . 1 1 1 A 55 55 ASP HA H 97 4.459 4.349 0.110 1
1 674 . 1 1 1 A 55 55 ASP C C 97 176.541 178.373 -1.832 1
1 675 . 1 1 1 A 55 55 ASP CA C 97 56.434 56.638 -0.204 1
1 676 . 1 1 1 A 55 55 ASP CB C 97 39.845 40.393 -0.548 1
1 677 . 1 1 1 A 55 55 ASP N N 97 122.223 122.484 -0.261 1
1 678 . 1 1 1 A 56 56 THR H H 98 7.196 7.641 -0.445 1
1 679 . 1 1 1 A 56 56 THR HA H 98 4.105 4.241 -0.136 1
1 684 . 1 1 1 A 56 56 THR C C 98 174.743 175.060 -0.317 1
1 685 . 1 1 1 A 56 56 THR CA C 98 60.857 64.577 -3.720 1
1 686 . 1 1 1 A 56 56 THR CB C 98 69.227 68.844 0.383 1
1 688 . 1 1 1 A 56 56 THR N N 98 105.196 110.468 -5.272 1
1 689 . 1 1 1 A 57 57 PHE H H 99 7.766 7.513 0.253 1
1 690 . 1 1 1 A 57 57 PHE HA H 99 3.752 4.391 -0.639 1
1 698 . 1 1 1 A 57 57 PHE C C 99 172.629 174.497 -1.868 1
1 699 . 1 1 1 A 57 57 PHE CA C 99 60.570 58.109 2.461 1
1 700 . 1 1 1 A 57 57 PHE CB C 99 40.156 38.819 1.337 1
1 706 . 1 1 1 A 57 57 PHE N N 99 122.514 123.935 -1.421 1
1 707 . 1 1 1 A 58 58 LYS H H 100 6.468 8.232 -1.764 1
1 708 . 1 1 1 A 58 58 LYS HA H 100 4.409 4.631 -0.222 1
1 717 . 1 1 1 A 58 58 LYS C C 100 171.564 173.686 -2.122 1
1 718 . 1 1 1 A 58 58 LYS CA C 100 53.643 52.952 0.691 1
1 719 . 1 1 1 A 58 58 LYS CB C 100 32.382 34.154 -1.772 1
1 723 . 1 1 1 A 58 58 LYS N N 100 125.478 126.749 -1.271 1
1 724 . 1 1 1 A 59 59 PRO HA H 101 3.708 4.065 -0.357 1
1 731 . 1 1 1 A 59 59 PRO C C 101 176.868 177.358 -0.490 1
1 732 . 1 1 1 A 59 59 PRO CA C 101 63.881 63.637 0.244 1
1 733 . 1 1 1 A 59 59 PRO CB C 101 31.168 31.214 -0.046 1
1 736 . 1 1 1 A 60 60 GLY H H 102 9.269 8.610 0.659 1
1 737 . 1 1 1 A 60 60 GLY HA2 H 102 4.299 3.859 0.440 1
1 738 . 1 1 1 A 60 60 GLY HA3 H 102 3.502 3.861 -0.359 1
1 739 . 1 1 1 A 60 60 GLY C C 102 174.023 174.557 -0.534 1
1 740 . 1 1 1 A 60 60 GLY CA C 102 45.005 45.082 -0.077 1
1 741 . 1 1 1 A 60 60 GLY N N 102 112.023 112.616 -0.593 1
1 742 . 1 1 1 A 61 61 VAL H H 103 7.321 7.198 0.123 1
1 743 . 1 1 1 A 61 61 VAL HA H 103 4.279 3.891 0.388 1
1 751 . 1 1 1 A 61 61 VAL C C 103 174.073 175.232 -1.159 1
1 752 . 1 1 1 A 61 61 VAL CA C 103 61.277 62.932 -1.655 1
1 753 . 1 1 1 A 61 61 VAL CB C 103 32.882 31.218 1.664 1
1 756 . 1 1 1 A 61 61 VAL N N 103 118.571 122.070 -3.499 1
1 757 . 1 1 1 A 62 62 GLU H H 104 8.204 8.766 -0.562 1
1 758 . 1 1 1 A 62 62 GLU HA H 104 4.946 4.556 0.390 1
1 763 . 1 1 1 A 62 62 GLU C C 104 176.252 176.591 -0.339 1
1 764 . 1 1 1 A 62 62 GLU CA C 104 55.398 56.653 -1.255 1
1 765 . 1 1 1 A 62 62 GLU CB C 104 30.129 30.152 -0.023 1
1 767 . 1 1 1 A 62 62 GLU N N 104 123.214 127.752 -4.538 1
1 768 . 1 1 1 A 63 63 VAL H H 105 9.066 8.648 0.418 1
1 769 . 1 1 1 A 63 63 VAL HA H 105 5.297 5.055 0.242 1
1 777 . 1 1 1 A 63 63 VAL C C 105 173.913 174.239 -0.326 1
1 778 . 1 1 1 A 63 63 VAL CA C 105 58.284 59.154 -0.870 1
1 779 . 1 1 1 A 63 63 VAL CB C 105 36.265 34.967 1.298 1
1 782 . 1 1 1 A 63 63 VAL N N 105 115.526 120.498 -4.972 1
1 783 . 1 1 1 A 64 64 ILE H H 106 8.542 9.132 -0.590 1
1 784 . 1 1 1 A 64 64 ILE HA H 106 4.775 4.638 0.137 1
1 794 . 1 1 1 A 64 64 ILE C C 106 176.511 175.910 0.601 1
1 795 . 1 1 1 A 64 64 ILE CA C 106 60.804 59.750 1.054 1
1 796 . 1 1 1 A 64 64 ILE CB C 106 40.991 39.283 1.708 1
1 800 . 1 1 1 A 64 64 ILE N N 106 120.283 122.802 -2.519 1
1 801 . 1 1 1 A 65 65 ILE H H 107 8.944 8.619 0.325 1
1 802 . 1 1 1 A 65 65 ILE HA H 107 5.197 4.954 0.243 1
1 812 . 1 1 1 A 65 65 ILE C C 107 174.076 174.571 -0.495 1
1 813 . 1 1 1 A 65 65 ILE CA C 107 58.384 59.090 -0.706 1
1 814 . 1 1 1 A 65 65 ILE CB C 107 42.082 40.122 1.960 1
1 818 . 1 1 1 A 65 65 ILE N N 107 122.157 123.962 -1.805 1
1 819 . 1 1 1 A 66 66 GLU H H 108 7.762 8.621 -0.859 1
1 820 . 1 1 1 A 66 66 GLU HA H 108 5.801 5.480 0.321 1
1 825 . 1 1 1 A 66 66 GLU C C 108 176.789 175.517 1.272 1
1 826 . 1 1 1 A 66 66 GLU CA C 108 54.063 55.489 -1.426 1
1 827 . 1 1 1 A 66 66 GLU CB C 108 32.818 33.425 -0.607 1
1 829 . 1 1 1 A 66 66 GLU N N 108 119.473 122.256 -2.783 1
1 830 . 1 1 1 A 67 67 GLY H H 109 9.064 8.388 0.676 1
1 831 . 1 1 1 A 67 67 GLY HA2 H 109 4.773 4.227 0.546 1
1 832 . 1 1 1 A 67 67 GLY HA3 H 109 3.948 4.257 -0.309 1
1 833 . 1 1 1 A 67 67 GLY C C 109 170.431 171.931 -1.500 1
1 834 . 1 1 1 A 67 67 GLY CA C 109 46.598 45.941 0.657 1
1 835 . 1 1 1 A 67 67 GLY N N 109 112.366 112.243 0.123 1
1 836 . 1 1 1 A 68 68 GLY H H 110 7.116 7.289 -0.173 1
1 837 . 1 1 1 A 68 68 GLY HA2 H 110 3.949 3.553 0.396 1
1 838 . 1 1 1 A 68 68 GLY HA3 H 110 3.732 3.813 -0.081 1
1 839 . 1 1 1 A 68 68 GLY C C 110 170.827 171.087 -0.260 1
1 840 . 1 1 1 A 68 68 GLY CA C 110 45.228 45.241 -0.013 1
1 841 . 1 1 1 A 68 68 GLY N N 110 109.402 109.400 0.002 1
1 842 . 1 1 1 A 69 69 LEU H H 111 8.542 8.288 0.254 1
1 843 . 1 1 1 A 69 69 LEU HA H 111 4.546 4.697 -0.151 1
1 853 . 1 1 1 A 69 69 LEU C C 111 175.890 175.165 0.725 1
1 854 . 1 1 1 A 69 69 LEU CA C 111 54.400 53.891 0.509 1
1 855 . 1 1 1 A 69 69 LEU CB C 111 43.814 43.513 0.301 1
1 859 . 1 1 1 A 69 69 LEU N N 111 122.808 123.450 -0.642 1
1 860 . 1 1 1 A 70 70 ALA H H 112 8.889 8.548 0.341 1
1 861 . 1 1 1 A 70 70 ALA HA H 112 4.639 4.489 0.150 1
1 865 . 1 1 1 A 70 70 ALA C C 112 174.900 176.228 -1.328 1
1 866 . 1 1 1 A 70 70 ALA CA C 112 49.951 50.582 -0.631 1
1 867 . 1 1 1 A 70 70 ALA CB C 112 18.111 18.603 -0.492 1
1 868 . 1 1 1 A 70 70 ALA N N 112 130.675 130.186 0.489 1
1 869 . 1 1 1 A 71 71 PRO HA H 113 4.338 4.285 0.053 1
1 876 . 1 1 1 A 71 71 PRO C C 113 178.206 177.455 0.751 1
1 877 . 1 1 1 A 71 71 PRO CA C 113 64.055 63.799 0.256 1
1 878 . 1 1 1 A 71 71 PRO CB C 113 31.754 31.307 0.447 1
1 881 . 1 1 1 A 72 72 GLY H H 114 8.748 8.903 -0.155 1
1 882 . 1 1 1 A 72 72 GLY HA2 H 114 4.165 3.957 0.208 1
1 883 . 1 1 1 A 72 72 GLY HA3 H 114 3.775 3.962 -0.187 1
1 884 . 1 1 1 A 72 72 GLY C C 114 174.200 174.351 -0.151 1
1 885 . 1 1 1 A 72 72 GLY CA C 114 45.602 45.156 0.446 1
1 886 . 1 1 1 A 72 72 GLY N N 114 111.945 112.726 -0.781 1
1 887 . 1 1 1 A 73 73 GLU H H 115 7.931 7.755 0.176 1
1 888 . 1 1 1 A 73 73 GLU HA H 115 4.581 4.522 0.059 1
1 893 . 1 1 1 A 73 73 GLU C C 115 175.843 176.449 -0.606 1
1 894 . 1 1 1 A 73 73 GLU CA C 115 55.732 55.471 0.261 1
1 895 . 1 1 1 A 73 73 GLU CB C 115 31.128 31.022 0.106 1
1 897 . 1 1 1 A 73 73 GLU N N 115 118.591 121.126 -2.535 1
1 898 . 1 1 1 A 74 74 ASP H H 116 8.467 8.615 -0.148 1
1 899 . 1 1 1 A 74 74 ASP HA H 116 4.823 4.770 0.053 1
1 902 . 1 1 1 A 74 74 ASP C C 116 175.848 175.739 0.109 1
1 903 . 1 1 1 A 74 74 ASP CA C 116 53.831 54.820 -0.989 1
1 904 . 1 1 1 A 74 74 ASP CB C 116 41.052 41.597 -0.545 1
1 905 . 1 1 1 A 74 74 ASP N N 116 118.021 123.965 -5.944 1
1 906 . 1 1 1 A 75 75 THR H H 117 7.301 6.995 0.306 1
1 907 . 1 1 1 A 75 75 THR HA H 117 4.620 5.315 -0.695 1
1 912 . 1 1 1 A 75 75 THR C C 117 172.120 173.210 -1.090 1
1 913 . 1 1 1 A 75 75 THR CA C 117 61.907 59.969 1.938 1
1 914 . 1 1 1 A 75 75 THR CB C 117 71.398 71.223 0.175 1
1 916 . 1 1 1 A 75 75 THR N N 117 114.820 110.121 4.699 1
1 917 . 1 1 1 A 76 76 PHE H H 118 9.657 9.030 0.627 1
1 918 . 1 1 1 A 76 76 PHE HA H 118 4.290 4.617 -0.327 1
1 926 . 1 1 1 A 76 76 PHE C C 118 174.118 173.911 0.207 1
1 927 . 1 1 1 A 76 76 PHE CA C 118 58.185 57.136 1.049 1
1 928 . 1 1 1 A 76 76 PHE CB C 118 40.718 39.268 1.450 1
1 934 . 1 1 1 A 76 76 PHE N N 118 130.378 125.502 4.876 1
1 935 . 1 1 1 A 77 77 LYS H H 119 8.364 8.652 -0.288 1
1 936 . 1 1 1 A 77 77 LYS HA H 119 4.853 4.672 0.181 1
1 945 . 1 1 1 A 77 77 LYS C C 119 175.278 175.177 0.101 1
1 946 . 1 1 1 A 77 77 LYS CA C 119 55.282 55.565 -0.283 1
1 947 . 1 1 1 A 77 77 LYS CB C 119 31.319 31.915 -0.596 1
1 951 . 1 1 1 A 77 77 LYS N N 119 129.777 127.463 2.314 1
1 952 . 1 1 1 A 78 78 ALA H H 120 8.837 8.719 0.118 1
1 953 . 1 1 1 A 78 78 ALA HA H 120 4.828 4.610 0.218 1
1 957 . 1 1 1 A 78 78 ALA C C 120 176.015 178.714 -2.699 1
1 958 . 1 1 1 A 78 78 ALA CA C 120 51.435 52.403 -0.968 1
1 959 . 1 1 1 A 78 78 ALA CB C 120 20.006 19.028 0.978 1
1 960 . 1 1 1 A 78 78 ALA N N 120 129.771 128.997 0.774 1
1 961 . 1 1 1 A 79 79 ARG H H 121 9.846 8.612 1.234 1
1 962 . 1 1 1 A 79 79 ARG HA H 121 4.582 4.237 0.345 1
1 970 . 1 1 1 A 79 79 ARG C C 121 176.651 175.900 0.751 1
1 971 . 1 1 1 A 79 79 ARG CA C 121 57.420 57.735 -0.315 1
1 972 . 1 1 1 A 79 79 ARG CB C 121 31.773 30.568 1.205 1
1 975 . 1 1 1 A 79 79 ARG N N 121 125.113 122.867 2.246 1
1 977 . 1 1 1 A 80 80 THR H H 122 7.938 7.876 0.062 1
1 978 . 1 1 1 A 80 80 THR HA H 122 4.921 5.282 -0.361 1
1 983 . 1 1 1 A 80 80 THR C C 122 172.002 172.896 -0.894 1
1 984 . 1 1 1 A 80 80 THR CA C 122 60.475 60.367 0.108 1
1 985 . 1 1 1 A 80 80 THR CB C 122 72.093 72.127 -0.034 1
1 987 . 1 1 1 A 80 80 THR N N 122 109.595 109.225 0.370 1
1 988 . 1 1 1 A 81 81 LEU H H 123 8.196 8.610 -0.414 1
1 989 . 1 1 1 A 81 81 LEU HA H 123 4.701 4.910 -0.209 1
1 999 . 1 1 1 A 81 81 LEU C C 123 173.804 174.075 -0.271 1
1 1000 . 1 1 1 A 81 81 LEU CA C 123 55.357 53.870 1.487 1
1 1001 . 1 1 1 A 81 81 LEU CB C 123 44.009 45.937 -1.928 1
1 1005 . 1 1 1 A 81 81 LEU N N 123 123.214 122.984 0.230 1
1 1006 . 1 1 1 A 82 82 MET H H 124 8.700 8.765 -0.065 1
1 1007 . 1 1 1 A 82 82 MET HA H 124 4.841 5.103 -0.262 1
1 1015 . 1 1 1 A 82 82 MET C C 124 175.097 175.234 -0.137 1
1 1016 . 1 1 1 A 82 82 MET CA C 124 54.190 54.372 -0.182 1
1 1017 . 1 1 1 A 82 82 MET CB C 124 36.191 35.437 0.754 1
1 1020 . 1 1 1 A 82 82 MET N N 124 124.452 124.570 -0.118 1
1 1021 . 1 1 1 A 83 83 THR H H 125 8.671 8.653 0.018 1
1 1022 . 1 1 1 A 83 83 THR HA H 125 4.934 4.960 -0.026 1
1 1027 . 1 1 1 A 83 83 THR C C 125 174.094 174.392 -0.298 1
1 1028 . 1 1 1 A 83 83 THR CA C 125 60.253 59.724 0.529 1
1 1029 . 1 1 1 A 83 83 THR CB C 125 69.831 70.756 -0.925 1
1 1031 . 1 1 1 A 83 83 THR N N 125 113.070 116.332 -3.262 1
1 1032 . 1 1 1 A 84 84 LYS H H 126 8.419 8.368 0.051 1
1 1033 . 1 1 1 A 84 84 LYS HA H 126 4.446 4.410 0.036 1
1 1042 . 1 1 1 A 84 84 LYS C C 126 175.461 176.780 -1.319 1
1 1043 . 1 1 1 A 84 84 LYS CA C 126 55.500 57.355 -1.855 1
1 1044 . 1 1 1 A 84 84 LYS CB C 126 33.736 33.342 0.394 1
1 1048 . 1 1 1 A 84 84 LYS N N 126 123.139 121.046 2.093 1
1 1049 . 1 1 1 A 85 85 CYS H H 127 8.543 7.940 0.603 1
1 1050 . 1 1 1 A 85 85 CYS HA H 127 4.795 4.487 0.308 1
1 1053 . 1 1 1 A 85 85 CYS C C 127 172.809 173.846 -1.037 1
1 1054 . 1 1 1 A 85 85 CYS CA C 127 56.423 58.085 -1.662 1
1 1055 . 1 1 1 A 85 85 CYS CB C 127 27.739 28.141 -0.402 1
1 1056 . 1 1 1 A 85 85 CYS N N 127 123.709 119.231 4.478 1
1 1057 . 1 1 1 A 86 86 PRO HA H 128 4.439 4.678 -0.239 1
1 1064 . 1 1 1 A 86 86 PRO C C 128 176.560 175.829 0.731 1
1 1065 . 1 1 1 A 86 86 PRO CA C 128 63.292 62.291 1.001 1
1 1066 . 1 1 1 A 86 86 PRO CB C 128 32.165 33.187 -1.022 1
1 1069 . 1 1 1 A 87 87 LEU H H 129 8.274 8.450 -0.176 1
1 1070 . 1 1 1 A 87 87 LEU HA H 129 4.256 4.384 -0.128 1
1 1080 . 1 1 1 A 87 87 LEU C C 129 177.141 175.879 1.262 1
1 1081 . 1 1 1 A 87 87 LEU CA C 129 55.281 54.248 1.033 1
1 1082 . 1 1 1 A 87 87 LEU CB C 129 42.299 40.038 2.261 1
1 1086 . 1 1 1 A 87 87 LEU N N 129 122.188 121.261 0.927 1
1 1 . 2 1 1 A 2 2 ALA HA H 44 4.214 4.456 -0.242 1
1 5 . 2 1 1 A 2 2 ALA C C 44 173.758 176.384 -2.626 1
1 6 . 2 1 1 A 2 2 ALA CA C 44 51.848 51.032 0.816 1
1 7 . 2 1 1 A 2 2 ALA CB C 44 19.505 19.546 -0.041 1
1 8 . 2 1 1 A 3 3 THR H H 45 8.709 7.541 1.168 1
1 9 . 2 1 1 A 3 3 THR HA H 45 4.694 4.638 0.056 1
1 14 . 2 1 1 A 3 3 THR CA C 45 60.191 60.200 -0.009 1
1 15 . 2 1 1 A 3 3 THR CB C 45 69.815 68.746 1.069 1
1 17 . 2 1 1 A 3 3 THR N N 45 116.649 110.693 5.956 1
1 18 . 2 1 1 A 4 4 PRO HA H 46 4.412 4.322 0.090 1
1 25 . 2 1 1 A 4 4 PRO C C 46 177.212 175.231 1.981 1
1 26 . 2 1 1 A 4 4 PRO CA C 46 63.698 63.288 0.410 1
1 27 . 2 1 1 A 4 4 PRO CB C 46 32.117 31.683 0.434 1
1 30 . 2 1 1 A 5 5 GLN H H 47 8.463 8.593 -0.130 1
1 31 . 2 1 1 A 5 5 GLN HA H 47 4.260 4.464 -0.204 1
1 38 . 2 1 1 A 5 5 GLN C C 47 176.073 173.850 2.223 1
1 39 . 2 1 1 A 5 5 GLN CA C 47 56.328 54.862 1.466 1
1 40 . 2 1 1 A 5 5 GLN CB C 47 29.286 28.785 0.501 1
1 43 . 2 1 1 A 5 5 GLN N N 47 119.945 124.180 -4.235 1
1 45 . 2 1 1 A 6 6 ASP H H 48 8.276 8.586 -0.310 1
1 46 . 2 1 1 A 6 6 ASP HA H 48 4.558 4.866 -0.308 1
1 49 . 2 1 1 A 6 6 ASP C C 48 176.454 177.109 -0.655 1
1 50 . 2 1 1 A 6 6 ASP CA C 48 54.538 52.986 1.552 1
1 51 . 2 1 1 A 6 6 ASP CB C 48 40.873 41.901 -1.028 1
1 52 . 2 1 1 A 6 6 ASP N N 48 120.974 124.429 -3.455 1
1 53 . 2 1 1 A 7 7 LYS H H 49 8.218 8.902 -0.684 1
1 54 . 2 1 1 A 7 7 LYS HA H 49 4.264 3.977 0.287 1
1 63 . 2 1 1 A 7 7 LYS C C 49 176.665 178.718 -2.053 1
1 64 . 2 1 1 A 7 7 LYS CA C 49 56.655 59.350 -2.695 1
1 65 . 2 1 1 A 7 7 LYS CB C 49 32.837 32.553 0.284 1
1 69 . 2 1 1 A 7 7 LYS N N 49 120.950 119.644 1.306 1
1 70 . 2 1 1 A 8 8 LEU H H 50 8.010 7.994 0.016 1
1 71 . 2 1 1 A 8 8 LEU HA H 50 4.279 4.086 0.193 1
1 81 . 2 1 1 A 8 8 LEU C C 50 177.110 177.124 -0.014 1
1 82 . 2 1 1 A 8 8 LEU CA C 50 55.353 57.347 -1.994 1
1 83 . 2 1 1 A 8 8 LEU CB C 50 42.302 41.115 1.187 1
1 87 . 2 1 1 A 8 8 LEU N N 50 121.105 117.283 3.822 1
1 88 . 2 1 1 A 9 9 HIS H H 51 8.411 7.356 1.055 1
1 89 . 2 1 1 A 9 9 HIS HA H 51 4.780 4.646 0.134 1
1 92 . 2 1 1 A 9 9 HIS C C 51 174.285 173.219 1.066 1
1 93 . 2 1 1 A 9 9 HIS CA C 51 55.320 54.449 0.871 1
1 94 . 2 1 1 A 9 9 HIS CB C 51 28.827 28.839 -0.012 1
1 95 . 2 1 1 A 9 9 HIS N N 51 119.035 120.979 -1.944 1
1 96 . 2 1 1 A 10 10 THR H H 52 8.178 8.694 -0.516 1
1 97 . 2 1 1 A 10 10 THR HA H 52 4.488 4.947 -0.459 1
1 102 . 2 1 1 A 10 10 THR C C 52 173.766 174.028 -0.262 1
1 103 . 2 1 1 A 10 10 THR CA C 52 62.392 61.987 0.405 1
1 104 . 2 1 1 A 10 10 THR CB C 52 70.104 69.630 0.474 1
1 106 . 2 1 1 A 10 10 THR N N 52 117.285 123.072 -5.787 1
1 107 . 2 1 1 A 11 11 VAL H H 53 9.088 9.220 -0.132 1
1 108 . 2 1 1 A 11 11 VAL HA H 53 4.464 4.536 -0.072 1
1 116 . 2 1 1 A 11 11 VAL C C 53 174.048 174.580 -0.532 1
1 117 . 2 1 1 A 11 11 VAL CA C 53 61.359 61.234 0.125 1
1 118 . 2 1 1 A 11 11 VAL CB C 53 34.602 33.848 0.754 1
1 121 . 2 1 1 A 11 11 VAL N N 53 123.969 128.314 -4.345 1
1 122 . 2 1 1 A 12 12 ARG H H 54 8.386 8.871 -0.485 1
1 123 . 2 1 1 A 12 12 ARG HA H 54 5.495 5.199 0.296 1
1 131 . 2 1 1 A 12 12 ARG C C 54 175.364 173.717 1.647 1
1 132 . 2 1 1 A 12 12 ARG CA C 54 54.401 54.413 -0.012 1
1 133 . 2 1 1 A 12 12 ARG CB C 54 32.753 32.520 0.233 1
1 136 . 2 1 1 A 12 12 ARG N N 54 125.294 127.455 -2.161 1
1 138 . 2 1 1 A 13 13 LEU H H 55 8.828 8.326 0.502 1
1 139 . 2 1 1 A 13 13 LEU HA H 55 4.726 4.973 -0.247 1
1 149 . 2 1 1 A 13 13 LEU C C 55 174.223 174.316 -0.093 1
1 150 . 2 1 1 A 13 13 LEU CA C 55 53.309 52.866 0.443 1
1 151 . 2 1 1 A 13 13 LEU CB C 55 45.884 45.683 0.201 1
1 155 . 2 1 1 A 13 13 LEU N N 55 124.874 128.279 -3.405 1
1 156 . 2 1 1 A 14 14 PHE H H 56 8.195 9.038 -0.843 1
1 157 . 2 1 1 A 14 14 PHE HA H 56 5.576 5.187 0.389 1
1 165 . 2 1 1 A 14 14 PHE C C 56 175.266 176.106 -0.840 1
1 166 . 2 1 1 A 14 14 PHE CA C 56 55.009 55.765 -0.756 1
1 167 . 2 1 1 A 14 14 PHE CB C 56 42.340 41.176 1.164 1
1 173 . 2 1 1 A 14 14 PHE N N 56 118.334 126.257 -7.923 1
1 174 . 2 1 1 A 15 15 GLY H H 57 8.134 8.206 -0.072 1
1 175 . 2 1 1 A 15 15 GLY HA2 H 57 4.229 4.282 -0.053 1
1 176 . 2 1 1 A 15 15 GLY HA3 H 57 4.004 4.298 -0.294 1
1 177 . 2 1 1 A 15 15 GLY C C 57 171.108 171.684 -0.576 1
1 178 . 2 1 1 A 15 15 GLY CA C 57 45.857 45.953 -0.096 1
1 179 . 2 1 1 A 15 15 GLY N N 57 109.159 109.782 -0.623 1
1 180 . 2 1 1 A 16 16 THR H H 58 8.595 8.594 0.001 1
1 181 . 2 1 1 A 16 16 THR HA H 58 5.114 5.180 -0.066 1
1 186 . 2 1 1 A 16 16 THR C C 58 174.484 173.822 0.662 1
1 187 . 2 1 1 A 16 16 THR CA C 58 60.591 61.386 -0.795 1
1 188 . 2 1 1 A 16 16 THR CB C 58 71.164 71.388 -0.224 1
1 190 . 2 1 1 A 16 16 THR N N 58 113.580 115.388 -1.808 1
1 191 . 2 1 1 A 17 17 VAL H H 59 8.053 8.566 -0.513 1
1 192 . 2 1 1 A 17 17 VAL HA H 59 3.876 4.078 -0.202 1
1 200 . 2 1 1 A 17 17 VAL C C 59 176.315 175.922 0.393 1
1 201 . 2 1 1 A 17 17 VAL CA C 59 63.549 63.243 0.306 1
1 202 . 2 1 1 A 17 17 VAL CB C 59 32.779 31.155 1.624 1
1 205 . 2 1 1 A 17 17 VAL N N 59 124.410 127.144 -2.734 1
1 206 . 2 1 1 A 18 18 ALA H H 60 8.931 8.643 0.288 1
1 207 . 2 1 1 A 18 18 ALA HA H 60 4.354 4.332 0.022 1
1 211 . 2 1 1 A 18 18 ALA C C 60 177.293 179.085 -1.792 1
1 212 . 2 1 1 A 18 18 ALA CA C 60 52.138 51.930 0.208 1
1 213 . 2 1 1 A 18 18 ALA CB C 60 19.782 19.395 0.387 1
1 214 . 2 1 1 A 18 18 ALA N N 60 133.912 130.340 3.572 1
1 215 . 2 1 1 A 19 19 ALA H H 61 8.548 8.654 -0.106 1
1 216 . 2 1 1 A 19 19 ALA HA H 61 4.105 4.487 -0.382 1
1 220 . 2 1 1 A 19 19 ALA C C 61 178.793 176.428 2.365 1
1 221 . 2 1 1 A 19 19 ALA CA C 61 54.218 52.062 2.156 1
1 222 . 2 1 1 A 19 19 ALA CB C 61 18.969 19.081 -0.112 1
1 223 . 2 1 1 A 19 19 ALA N N 61 121.667 123.100 -1.433 1
1 224 . 2 1 1 A 20 20 ASP H H 62 8.117 7.886 0.231 1
1 225 . 2 1 1 A 20 20 ASP HA H 62 4.602 4.893 -0.291 1
1 228 . 2 1 1 A 20 20 ASP C C 62 177.210 175.704 1.506 1
1 229 . 2 1 1 A 20 20 ASP CA C 62 54.575 53.324 1.251 1
1 230 . 2 1 1 A 20 20 ASP CB C 62 41.188 43.564 -2.376 1
1 231 . 2 1 1 A 20 20 ASP N N 62 115.534 118.450 -2.916 1
1 232 . 2 1 1 A 21 21 GLY H H 63 8.996 8.908 0.088 1
1 233 . 2 1 1 A 21 21 GLY HA2 H 63 4.311 3.846 0.465 1
1 234 . 2 1 1 A 21 21 GLY HA3 H 63 3.888 4.138 -0.250 1
1 235 . 2 1 1 A 21 21 GLY C C 63 173.384 174.334 -0.950 1
1 236 . 2 1 1 A 21 21 GLY CA C 63 46.124 45.507 0.617 1
1 237 . 2 1 1 A 21 21 GLY N N 63 112.754 114.147 -1.393 1
1 238 . 2 1 1 A 22 22 LEU H H 64 7.380 7.866 -0.486 1
1 239 . 2 1 1 A 22 22 LEU HA H 64 4.964 4.757 0.207 1
1 249 . 2 1 1 A 22 22 LEU C C 64 178.011 174.847 3.164 1
1 250 . 2 1 1 A 22 22 LEU CA C 64 57.159 54.243 2.916 1
1 251 . 2 1 1 A 22 22 LEU CB C 64 42.160 41.065 1.095 1
1 255 . 2 1 1 A 22 22 LEU N N 64 123.991 123.454 0.537 1
1 256 . 2 1 1 A 23 23 THR H H 65 9.752 9.178 0.574 1
1 257 . 2 1 1 A 23 23 THR HA H 65 4.755 5.057 -0.302 1
1 262 . 2 1 1 A 23 23 THR C C 65 173.249 174.164 -0.915 1
1 263 . 2 1 1 A 23 23 THR CA C 65 61.231 62.258 -1.027 1
1 264 . 2 1 1 A 23 23 THR CB C 65 71.995 69.928 2.067 1
1 266 . 2 1 1 A 23 23 THR N N 65 124.024 122.074 1.950 1
1 267 . 2 1 1 A 24 24 MET H H 66 8.881 8.674 0.207 1
1 268 . 2 1 1 A 24 24 MET HA H 66 5.019 4.909 0.110 1
1 276 . 2 1 1 A 24 24 MET C C 66 176.750 176.153 0.597 1
1 277 . 2 1 1 A 24 24 MET CA C 66 54.452 54.062 0.390 1
1 278 . 2 1 1 A 24 24 MET CB C 66 31.809 33.235 -1.426 1
1 281 . 2 1 1 A 24 24 MET N N 66 125.215 126.759 -1.544 1
1 282 . 2 1 1 A 25 25 LEU H H 67 8.037 8.302 -0.265 1
1 283 . 2 1 1 A 25 25 LEU HA H 67 4.253 4.369 -0.116 1
1 293 . 2 1 1 A 25 25 LEU C C 67 176.617 176.379 0.238 1
1 294 . 2 1 1 A 25 25 LEU CA C 67 55.259 55.128 0.131 1
1 295 . 2 1 1 A 25 25 LEU CB C 67 41.019 42.044 -1.025 1
1 299 . 2 1 1 A 25 25 LEU N N 67 123.282 122.491 0.791 1
1 300 . 2 1 1 A 26 26 ASP H H 68 8.419 8.968 -0.549 1
1 301 . 2 1 1 A 26 26 ASP HA H 68 4.695 4.385 0.310 1
1 304 . 2 1 1 A 26 26 ASP C C 68 176.728 177.435 -0.707 1
1 305 . 2 1 1 A 26 26 ASP CA C 68 53.907 55.918 -2.011 1
1 306 . 2 1 1 A 26 26 ASP CB C 68 41.338 39.926 1.412 1
1 307 . 2 1 1 A 26 26 ASP N N 68 120.434 124.687 -4.253 1
1 308 . 2 1 1 A 27 27 GLY H H 69 8.607 8.780 -0.173 1
1 309 . 2 1 1 A 27 27 GLY HA2 H 69 4.055 3.880 0.175 1
1 310 . 2 1 1 A 27 27 GLY HA3 H 69 3.665 3.881 -0.216 1
1 311 . 2 1 1 A 27 27 GLY C C 69 173.151 173.343 -0.192 1
1 312 . 2 1 1 A 27 27 GLY CA C 69 45.895 45.938 -0.043 1
1 313 . 2 1 1 A 27 27 GLY N N 69 112.545 111.519 1.026 1
1 314 . 2 1 1 A 28 28 ALA H H 70 7.634 7.534 0.100 1
1 315 . 2 1 1 A 28 28 ALA HA H 70 4.575 4.782 -0.207 1
1 319 . 2 1 1 A 28 28 ALA C C 70 174.090 174.524 -0.434 1
1 320 . 2 1 1 A 28 28 ALA CA C 70 50.137 49.738 0.399 1
1 321 . 2 1 1 A 28 28 ALA CB C 70 19.221 21.908 -2.687 1
1 322 . 2 1 1 A 28 28 ALA N N 70 125.545 120.355 5.190 1
1 323 . 2 1 1 A 29 29 PRO HA H 71 4.462 4.574 -0.112 1
1 330 . 2 1 1 A 29 29 PRO C C 71 176.671 175.864 0.807 1
1 331 . 2 1 1 A 29 29 PRO CA C 71 63.021 63.547 -0.526 1
1 332 . 2 1 1 A 29 29 PRO CB C 71 32.015 31.445 0.570 1
1 335 . 2 1 1 A 30 30 GLY H H 72 7.988 8.020 -0.032 1
1 336 . 2 1 1 A 30 30 GLY HA2 H 72 5.001 3.933 1.068 1
1 337 . 2 1 1 A 30 30 GLY HA3 H 72 3.991 4.023 -0.032 1
1 338 . 2 1 1 A 30 30 GLY C C 72 172.906 171.173 1.733 1
1 339 . 2 1 1 A 30 30 GLY CA C 72 45.642 44.933 0.709 1
1 340 . 2 1 1 A 30 30 GLY N N 72 109.355 110.109 -0.754 1
1 341 . 2 1 1 A 31 31 VAL H H 73 9.332 8.507 0.825 1
1 342 . 2 1 1 A 31 31 VAL HA H 73 5.194 4.829 0.365 1
1 350 . 2 1 1 A 31 31 VAL C C 73 171.443 173.576 -2.133 1
1 351 . 2 1 1 A 31 31 VAL CA C 73 60.233 60.274 -0.041 1
1 352 . 2 1 1 A 31 31 VAL CB C 73 35.471 35.127 0.344 1
1 355 . 2 1 1 A 31 31 VAL N N 73 116.539 118.641 -2.102 1
1 356 . 2 1 1 A 32 32 ARG H H 74 8.956 9.156 -0.200 1
1 357 . 2 1 1 A 32 32 ARG HA H 74 5.999 5.434 0.565 1
1 365 . 2 1 1 A 32 32 ARG C C 74 174.581 175.657 -1.076 1
1 366 . 2 1 1 A 32 32 ARG CA C 74 54.187 55.199 -1.012 1
1 367 . 2 1 1 A 32 32 ARG CB C 74 33.463 31.554 1.909 1
1 370 . 2 1 1 A 32 32 ARG N N 74 127.557 130.055 -2.498 1
1 372 . 2 1 1 A 33 33 PHE H H 75 9.262 8.533 0.729 1
1 373 . 2 1 1 A 33 33 PHE HA H 75 5.461 5.496 -0.035 1
1 381 . 2 1 1 A 33 33 PHE C C 75 171.210 172.808 -1.598 1
1 382 . 2 1 1 A 33 33 PHE CA C 75 55.947 56.139 -0.192 1
1 383 . 2 1 1 A 33 33 PHE CB C 75 41.151 41.118 0.033 1
1 389 . 2 1 1 A 33 33 PHE N N 75 120.514 121.271 -0.757 1
1 390 . 2 1 1 A 34 34 ARG H H 76 9.921 8.509 1.412 1
1 391 . 2 1 1 A 34 34 ARG HA H 76 4.368 4.339 0.029 1
1 399 . 2 1 1 A 34 34 ARG C C 76 173.994 174.504 -0.510 1
1 400 . 2 1 1 A 34 34 ARG CA C 76 54.594 54.603 -0.009 1
1 401 . 2 1 1 A 34 34 ARG CB C 76 31.539 30.771 0.768 1
1 404 . 2 1 1 A 34 34 ARG N N 76 122.011 118.383 3.628 1
1 406 . 2 1 1 A 35 35 LEU H H 77 8.781 8.694 0.087 1
1 407 . 2 1 1 A 35 35 LEU HA H 77 4.755 4.743 0.012 1
1 417 . 2 1 1 A 35 35 LEU C C 77 176.305 175.744 0.561 1
1 418 . 2 1 1 A 35 35 LEU CA C 77 53.188 55.072 -1.884 1
1 419 . 2 1 1 A 35 35 LEU CB C 77 44.689 42.549 2.140 1
1 423 . 2 1 1 A 35 35 LEU N N 77 127.038 126.584 0.454 1
1 424 . 2 1 1 A 36 36 GLU H H 78 9.342 8.670 0.672 1
1 425 . 2 1 1 A 36 36 GLU HA H 78 4.531 4.480 0.051 1
1 430 . 2 1 1 A 36 36 GLU C C 78 175.380 175.970 -0.590 1
1 431 . 2 1 1 A 36 36 GLU CA C 78 54.829 56.159 -1.330 1
1 432 . 2 1 1 A 36 36 GLU CB C 78 29.842 29.844 -0.002 1
1 434 . 2 1 1 A 36 36 GLU N N 78 126.891 126.778 0.113 1
1 435 . 2 1 1 A 37 37 ASP H H 79 8.418 8.188 0.230 1
1 436 . 2 1 1 A 37 37 ASP HA H 79 4.630 4.607 0.023 1
1 439 . 2 1 1 A 37 37 ASP C C 79 176.623 177.190 -0.567 1
1 440 . 2 1 1 A 37 37 ASP CA C 79 53.996 54.280 -0.284 1
1 441 . 2 1 1 A 37 37 ASP CB C 79 41.401 41.369 0.032 1
1 442 . 2 1 1 A 37 37 ASP N N 79 125.084 126.654 -1.570 1
1 443 . 2 1 1 A 38 38 LYS H H 80 8.691 8.548 0.143 1
1 444 . 2 1 1 A 38 38 LYS HA H 80 4.064 4.001 0.063 1
1 453 . 2 1 1 A 38 38 LYS C C 80 176.779 178.468 -1.689 1
1 454 . 2 1 1 A 38 38 LYS CA C 80 57.994 58.675 -0.681 1
1 455 . 2 1 1 A 38 38 LYS CB C 80 32.404 31.809 0.595 1
1 459 . 2 1 1 A 38 38 LYS N N 80 124.179 125.124 -0.945 1
1 460 . 2 1 1 A 39 39 ASP H H 81 8.355 7.938 0.417 1
1 461 . 2 1 1 A 39 39 ASP HA H 81 4.591 4.375 0.216 1
1 464 . 2 1 1 A 39 39 ASP C C 81 175.682 177.534 -1.852 1
1 465 . 2 1 1 A 39 39 ASP CA C 81 54.888 57.282 -2.394 1
1 466 . 2 1 1 A 39 39 ASP CB C 81 41.040 41.249 -0.209 1
1 467 . 2 1 1 A 39 39 ASP N N 81 117.392 120.170 -2.778 1
1 468 . 2 1 1 A 40 40 ASN H H 82 7.954 7.738 0.216 1
1 469 . 2 1 1 A 40 40 ASN HA H 82 4.785 4.856 -0.071 1
1 474 . 2 1 1 A 40 40 ASN C C 82 175.435 176.131 -0.696 1
1 475 . 2 1 1 A 40 40 ASN CA C 82 53.032 54.485 -1.453 1
1 476 . 2 1 1 A 40 40 ASN CB C 82 38.471 39.839 -1.368 1
1 478 . 2 1 1 A 40 40 ASN N N 82 117.785 114.606 3.179 1
1 480 . 2 1 1 A 41 41 THR H H 83 8.518 8.046 0.472 1
1 481 . 2 1 1 A 41 41 THR HA H 83 4.243 3.933 0.310 1
1 486 . 2 1 1 A 41 41 THR C C 83 175.191 175.013 0.178 1
1 487 . 2 1 1 A 41 41 THR CA C 83 63.584 65.385 -1.801 1
1 488 . 2 1 1 A 41 41 THR CB C 83 69.267 66.555 2.712 1
1 490 . 2 1 1 A 41 41 THR N N 83 114.265 110.832 3.433 1
1 491 . 2 1 1 A 42 42 SER H H 84 8.179 8.287 -0.108 1
1 492 . 2 1 1 A 42 42 SER HA H 84 4.439 4.254 0.185 1
1 495 . 2 1 1 A 42 42 SER C C 84 174.269 174.280 -0.011 1
1 496 . 2 1 1 A 42 42 SER CA C 84 59.222 60.873 -1.651 1
1 497 . 2 1 1 A 42 42 SER CB C 84 63.627 62.900 0.727 1
1 498 . 2 1 1 A 42 42 SER N N 84 115.576 115.695 -0.119 1
1 499 . 2 1 1 A 43 43 LYS H H 85 7.911 7.849 0.062 1
1 500 . 2 1 1 A 43 43 LYS HA H 85 4.460 4.883 -0.423 1
1 509 . 2 1 1 A 43 43 LYS C C 85 175.440 175.688 -0.248 1
1 510 . 2 1 1 A 43 43 LYS CA C 85 55.961 54.812 1.149 1
1 511 . 2 1 1 A 43 43 LYS CB C 85 33.032 34.826 -1.794 1
1 515 . 2 1 1 A 43 43 LYS N N 85 123.691 117.684 6.007 1
1 516 . 2 1 1 A 44 44 THR H H 86 8.165 8.979 -0.814 1
1 517 . 2 1 1 A 44 44 THR HA H 86 4.904 5.400 -0.496 1
1 522 . 2 1 1 A 44 44 THR C C 86 173.685 173.449 0.236 1
1 523 . 2 1 1 A 44 44 THR CA C 86 60.794 60.027 0.767 1
1 524 . 2 1 1 A 44 44 THR CB C 86 71.046 70.625 0.421 1
1 526 . 2 1 1 A 44 44 THR N N 86 117.392 115.367 2.025 1
1 527 . 2 1 1 A 45 45 VAL H H 87 8.155 8.604 -0.449 1
1 528 . 2 1 1 A 45 45 VAL HA H 87 4.402 4.529 -0.127 1
1 536 . 2 1 1 A 45 45 VAL C C 87 174.343 175.211 -0.868 1
1 537 . 2 1 1 A 45 45 VAL CA C 87 60.551 60.953 -0.402 1
1 538 . 2 1 1 A 45 45 VAL CB C 87 35.225 33.814 1.411 1
1 541 . 2 1 1 A 45 45 VAL N N 87 123.105 123.954 -0.849 1
1 542 . 2 1 1 A 46 46 TRP H H 88 8.574 8.913 -0.339 1
1 543 . 2 1 1 A 46 46 TRP HA H 88 4.789 5.146 -0.357 1
1 552 . 2 1 1 A 46 46 TRP C C 88 175.287 176.410 -1.123 1
1 553 . 2 1 1 A 46 46 TRP CA C 88 57.716 56.911 0.805 1
1 554 . 2 1 1 A 46 46 TRP CB C 88 30.822 30.939 -0.117 1
1 560 . 2 1 1 A 46 46 TRP N N 88 126.326 128.317 -1.991 1
1 562 . 2 1 1 A 47 47 VAL H H 89 9.550 8.711 0.839 1
1 563 . 2 1 1 A 47 47 VAL HA H 89 4.884 5.050 -0.166 1
1 571 . 2 1 1 A 47 47 VAL C C 89 173.675 174.561 -0.886 1
1 572 . 2 1 1 A 47 47 VAL CA C 89 60.713 60.963 -0.250 1
1 573 . 2 1 1 A 47 47 VAL CB C 89 33.847 34.367 -0.520 1
1 576 . 2 1 1 A 47 47 VAL N N 89 123.380 121.595 1.785 1
1 577 . 2 1 1 A 48 48 LEU H H 90 8.757 8.853 -0.096 1
1 578 . 2 1 1 A 48 48 LEU HA H 90 5.181 4.936 0.245 1
1 588 . 2 1 1 A 48 48 LEU C C 90 175.118 175.050 0.068 1
1 589 . 2 1 1 A 48 48 LEU CA C 90 53.567 53.699 -0.132 1
1 590 . 2 1 1 A 48 48 LEU CB C 90 45.758 43.177 2.581 1
1 594 . 2 1 1 A 48 48 LEU N N 90 125.653 130.050 -4.397 1
1 595 . 2 1 1 A 49 49 TYR H H 91 9.355 9.036 0.319 1
1 596 . 2 1 1 A 49 49 TYR HA H 91 5.196 4.955 0.241 1
1 603 . 2 1 1 A 49 49 TYR C C 91 172.437 174.178 -1.741 1
1 604 . 2 1 1 A 49 49 TYR CA C 91 56.490 57.024 -0.534 1
1 605 . 2 1 1 A 49 49 TYR CB C 91 41.602 39.800 1.802 1
1 610 . 2 1 1 A 49 49 TYR N N 91 129.351 128.862 0.489 1
1 611 . 2 1 1 A 50 50 LYS H H 92 7.805 8.534 -0.729 1
1 612 . 2 1 1 A 50 50 LYS HA H 92 4.450 4.741 -0.291 1
1 621 . 2 1 1 A 50 50 LYS C C 92 173.949 175.903 -1.954 1
1 622 . 2 1 1 A 50 50 LYS CA C 92 55.264 55.053 0.211 1
1 623 . 2 1 1 A 50 50 LYS CB C 92 32.484 33.742 -1.258 1
1 627 . 2 1 1 A 50 50 LYS N N 92 127.571 126.902 0.669 1
1 628 . 2 1 1 A 51 51 GLY H H 93 7.147 7.803 -0.656 1
1 629 . 2 1 1 A 51 51 GLY HA2 H 93 3.810 3.963 -0.153 1
1 630 . 2 1 1 A 51 51 GLY HA3 H 93 3.609 4.074 -0.465 1
1 631 . 2 1 1 A 51 51 GLY C C 93 170.582 171.887 -1.305 1
1 632 . 2 1 1 A 51 51 GLY CA C 93 43.645 44.688 -1.043 1
1 633 . 2 1 1 A 51 51 GLY N N 93 111.723 109.779 1.944 1
1 634 . 2 1 1 A 52 52 ALA H H 94 8.185 8.301 -0.116 1
1 635 . 2 1 1 A 52 52 ALA HA H 94 4.273 4.323 -0.050 1
1 639 . 2 1 1 A 52 52 ALA C C 94 178.775 176.953 1.822 1
1 640 . 2 1 1 A 52 52 ALA CA C 94 52.381 52.270 0.111 1
1 641 . 2 1 1 A 52 52 ALA CB C 94 18.392 18.777 -0.385 1
1 642 . 2 1 1 A 52 52 ALA N N 94 119.165 122.786 -3.621 1
1 643 . 2 1 1 A 53 53 VAL H H 95 8.967 8.705 0.262 1
1 644 . 2 1 1 A 53 53 VAL HA H 95 4.200 4.416 -0.216 1
1 652 . 2 1 1 A 53 53 VAL C C 95 174.416 174.809 -0.393 1
1 653 . 2 1 1 A 53 53 VAL CA C 95 60.028 60.291 -0.263 1
1 654 . 2 1 1 A 53 53 VAL CB C 95 32.712 32.032 0.680 1
1 657 . 2 1 1 A 53 53 VAL N N 95 127.597 125.014 2.583 1
1 658 . 2 1 1 A 54 54 PRO HA H 96 4.609 4.751 -0.142 1
1 665 . 2 1 1 A 54 54 PRO C C 96 177.752 177.090 0.662 1
1 666 . 2 1 1 A 54 54 PRO CA C 96 62.907 62.416 0.491 1
1 667 . 2 1 1 A 54 54 PRO CB C 96 32.850 32.995 -0.145 1
1 670 . 2 1 1 A 55 55 ASP H H 97 9.047 8.731 0.316 1
1 671 . 2 1 1 A 55 55 ASP HA H 97 4.459 4.356 0.103 1
1 674 . 2 1 1 A 55 55 ASP C C 97 176.541 177.391 -0.850 1
1 675 . 2 1 1 A 55 55 ASP CA C 97 56.434 56.539 -0.105 1
1 676 . 2 1 1 A 55 55 ASP CB C 97 39.845 40.369 -0.524 1
1 677 . 2 1 1 A 55 55 ASP N N 97 122.223 122.075 0.148 1
1 678 . 2 1 1 A 56 56 THR H H 98 7.196 7.602 -0.406 1
1 679 . 2 1 1 A 56 56 THR HA H 98 4.105 4.261 -0.156 1
1 684 . 2 1 1 A 56 56 THR C C 98 174.743 174.908 -0.165 1
1 685 . 2 1 1 A 56 56 THR CA C 98 60.857 63.217 -2.360 1
1 686 . 2 1 1 A 56 56 THR CB C 98 69.227 69.322 -0.095 1
1 688 . 2 1 1 A 56 56 THR N N 98 105.196 110.061 -4.865 1
1 689 . 2 1 1 A 57 57 PHE H H 99 7.766 7.454 0.312 1
1 690 . 2 1 1 A 57 57 PHE HA H 99 3.752 4.517 -0.765 1
1 698 . 2 1 1 A 57 57 PHE C C 99 172.629 174.119 -1.490 1
1 699 . 2 1 1 A 57 57 PHE CA C 99 60.570 57.467 3.103 1
1 700 . 2 1 1 A 57 57 PHE CB C 99 40.156 38.762 1.394 1
1 706 . 2 1 1 A 57 57 PHE N N 99 122.514 123.882 -1.368 1
1 707 . 2 1 1 A 58 58 LYS H H 100 6.468 8.343 -1.875 1
1 708 . 2 1 1 A 58 58 LYS HA H 100 4.409 4.731 -0.322 1
1 717 . 2 1 1 A 58 58 LYS C C 100 171.564 173.156 -1.592 1
1 718 . 2 1 1 A 58 58 LYS CA C 100 53.643 53.590 0.053 1
1 719 . 2 1 1 A 58 58 LYS CB C 100 32.382 35.684 -3.302 1
1 723 . 2 1 1 A 58 58 LYS N N 100 125.478 123.061 2.417 1
1 724 . 2 1 1 A 59 59 PRO HA H 101 3.708 4.238 -0.530 1
1 731 . 2 1 1 A 59 59 PRO C C 101 176.868 177.390 -0.522 1
1 732 . 2 1 1 A 59 59 PRO CA C 101 63.881 63.715 0.166 1
1 733 . 2 1 1 A 59 59 PRO CB C 101 31.168 31.261 -0.093 1
1 736 . 2 1 1 A 60 60 GLY H H 102 9.269 8.775 0.494 1
1 737 . 2 1 1 A 60 60 GLY HA2 H 102 4.299 3.865 0.434 1
1 738 . 2 1 1 A 60 60 GLY HA3 H 102 3.502 3.870 -0.368 1
1 739 . 2 1 1 A 60 60 GLY C C 102 174.023 174.264 -0.241 1
1 740 . 2 1 1 A 60 60 GLY CA C 102 45.005 45.131 -0.126 1
1 741 . 2 1 1 A 60 60 GLY N N 102 112.023 112.730 -0.707 1
1 742 . 2 1 1 A 61 61 VAL H H 103 7.321 7.428 -0.107 1
1 743 . 2 1 1 A 61 61 VAL HA H 103 4.279 4.311 -0.032 1
1 751 . 2 1 1 A 61 61 VAL C C 103 174.073 175.356 -1.283 1
1 752 . 2 1 1 A 61 61 VAL CA C 103 61.277 61.263 0.014 1
1 753 . 2 1 1 A 61 61 VAL CB C 103 32.882 32.981 -0.099 1
1 756 . 2 1 1 A 61 61 VAL N N 103 118.571 121.816 -3.245 1
1 757 . 2 1 1 A 62 62 GLU H H 104 8.204 8.459 -0.255 1
1 758 . 2 1 1 A 62 62 GLU HA H 104 4.946 4.819 0.127 1
1 763 . 2 1 1 A 62 62 GLU C C 104 176.252 176.450 -0.198 1
1 764 . 2 1 1 A 62 62 GLU CA C 104 55.398 56.472 -1.074 1
1 765 . 2 1 1 A 62 62 GLU CB C 104 30.129 30.278 -0.149 1
1 767 . 2 1 1 A 62 62 GLU N N 104 123.214 126.749 -3.535 1
1 768 . 2 1 1 A 63 63 VAL H H 105 9.066 8.842 0.224 1
1 769 . 2 1 1 A 63 63 VAL HA H 105 5.297 4.857 0.440 1
1 777 . 2 1 1 A 63 63 VAL C C 105 173.913 174.192 -0.279 1
1 778 . 2 1 1 A 63 63 VAL CA C 105 58.284 59.154 -0.870 1
1 779 . 2 1 1 A 63 63 VAL CB C 105 36.265 35.459 0.806 1
1 782 . 2 1 1 A 63 63 VAL N N 105 115.526 118.337 -2.811 1
1 783 . 2 1 1 A 64 64 ILE H H 106 8.542 9.061 -0.519 1
1 784 . 2 1 1 A 64 64 ILE HA H 106 4.775 4.669 0.106 1
1 794 . 2 1 1 A 64 64 ILE C C 106 176.511 175.372 1.139 1
1 795 . 2 1 1 A 64 64 ILE CA C 106 60.804 59.283 1.521 1
1 796 . 2 1 1 A 64 64 ILE CB C 106 40.991 39.341 1.650 1
1 800 . 2 1 1 A 64 64 ILE N N 106 120.283 123.655 -3.372 1
1 801 . 2 1 1 A 65 65 ILE H H 107 8.944 8.721 0.223 1
1 802 . 2 1 1 A 65 65 ILE HA H 107 5.197 4.965 0.232 1
1 812 . 2 1 1 A 65 65 ILE C C 107 174.076 174.578 -0.502 1
1 813 . 2 1 1 A 65 65 ILE CA C 107 58.384 58.938 -0.554 1
1 814 . 2 1 1 A 65 65 ILE CB C 107 42.082 40.106 1.976 1
1 818 . 2 1 1 A 65 65 ILE N N 107 122.157 123.940 -1.783 1
1 819 . 2 1 1 A 66 66 GLU H H 108 7.762 8.608 -0.846 1
1 820 . 2 1 1 A 66 66 GLU HA H 108 5.801 5.636 0.165 1
1 825 . 2 1 1 A 66 66 GLU C C 108 176.789 176.161 0.628 1
1 826 . 2 1 1 A 66 66 GLU CA C 108 54.063 54.809 -0.746 1
1 827 . 2 1 1 A 66 66 GLU CB C 108 32.818 32.878 -0.060 1
1 829 . 2 1 1 A 66 66 GLU N N 108 119.473 122.808 -3.335 1
1 830 . 2 1 1 A 67 67 GLY H H 109 9.064 8.040 1.024 1
1 831 . 2 1 1 A 67 67 GLY HA2 H 109 4.773 4.278 0.495 1
1 832 . 2 1 1 A 67 67 GLY HA3 H 109 3.948 4.288 -0.340 1
1 833 . 2 1 1 A 67 67 GLY C C 109 170.431 172.017 -1.586 1
1 834 . 2 1 1 A 67 67 GLY CA C 109 46.598 45.779 0.819 1
1 835 . 2 1 1 A 67 67 GLY N N 109 112.366 109.506 2.860 1
1 836 . 2 1 1 A 68 68 GLY H H 110 7.116 7.692 -0.576 1
1 837 . 2 1 1 A 68 68 GLY HA2 H 110 3.949 3.939 0.010 1
1 838 . 2 1 1 A 68 68 GLY HA3 H 110 3.732 4.097 -0.365 1
1 839 . 2 1 1 A 68 68 GLY C C 110 170.827 171.479 -0.652 1
1 840 . 2 1 1 A 68 68 GLY CA C 110 45.228 45.399 -0.171 1
1 841 . 2 1 1 A 68 68 GLY N N 110 109.402 109.556 -0.154 1
1 842 . 2 1 1 A 69 69 LEU H H 111 8.542 8.347 0.195 1
1 843 . 2 1 1 A 69 69 LEU HA H 111 4.546 4.628 -0.082 1
1 853 . 2 1 1 A 69 69 LEU C C 111 175.890 174.880 1.010 1
1 854 . 2 1 1 A 69 69 LEU CA C 111 54.400 53.939 0.461 1
1 855 . 2 1 1 A 69 69 LEU CB C 111 43.814 43.245 0.569 1
1 859 . 2 1 1 A 69 69 LEU N N 111 122.808 123.821 -1.013 1
1 860 . 2 1 1 A 70 70 ALA H H 112 8.889 8.622 0.267 1
1 861 . 2 1 1 A 70 70 ALA HA H 112 4.639 4.607 0.032 1
1 865 . 2 1 1 A 70 70 ALA C C 112 174.900 176.491 -1.591 1
1 866 . 2 1 1 A 70 70 ALA CA C 112 49.951 50.219 -0.268 1
1 867 . 2 1 1 A 70 70 ALA CB C 112 18.111 19.215 -1.104 1
1 868 . 2 1 1 A 70 70 ALA N N 112 130.675 130.103 0.572 1
1 869 . 2 1 1 A 71 71 PRO HA H 113 4.338 4.334 0.004 1
1 876 . 2 1 1 A 71 71 PRO C C 113 178.206 177.268 0.938 1
1 877 . 2 1 1 A 71 71 PRO CA C 113 64.055 63.313 0.742 1
1 878 . 2 1 1 A 71 71 PRO CB C 113 31.754 30.654 1.100 1
1 881 . 2 1 1 A 72 72 GLY H H 114 8.748 8.154 0.594 1
1 882 . 2 1 1 A 72 72 GLY HA2 H 114 4.165 3.971 0.194 1
1 883 . 2 1 1 A 72 72 GLY HA3 H 114 3.775 3.975 -0.200 1
1 884 . 2 1 1 A 72 72 GLY C C 114 174.200 174.762 -0.562 1
1 885 . 2 1 1 A 72 72 GLY CA C 114 45.602 45.351 0.251 1
1 886 . 2 1 1 A 72 72 GLY N N 114 111.945 112.541 -0.596 1
1 887 . 2 1 1 A 73 73 GLU H H 115 7.931 7.521 0.410 1
1 888 . 2 1 1 A 73 73 GLU HA H 115 4.581 4.413 0.168 1
1 893 . 2 1 1 A 73 73 GLU C C 115 175.843 176.722 -0.879 1
1 894 . 2 1 1 A 73 73 GLU CA C 115 55.732 55.404 0.328 1
1 895 . 2 1 1 A 73 73 GLU CB C 115 31.128 29.900 1.228 1
1 897 . 2 1 1 A 73 73 GLU N N 115 118.591 120.681 -2.090 1
1 898 . 2 1 1 A 74 74 ASP H H 116 8.467 8.700 -0.233 1
1 899 . 2 1 1 A 74 74 ASP HA H 116 4.823 4.594 0.229 1
1 902 . 2 1 1 A 74 74 ASP C C 116 175.848 176.149 -0.301 1
1 903 . 2 1 1 A 74 74 ASP CA C 116 53.831 56.116 -2.285 1
1 904 . 2 1 1 A 74 74 ASP CB C 116 41.052 40.847 0.205 1
1 905 . 2 1 1 A 74 74 ASP N N 116 118.021 126.339 -8.318 1
1 906 . 2 1 1 A 75 75 THR H H 117 7.301 7.641 -0.340 1
1 907 . 2 1 1 A 75 75 THR HA H 117 4.620 4.726 -0.106 1
1 912 . 2 1 1 A 75 75 THR C C 117 172.120 173.763 -1.643 1
1 913 . 2 1 1 A 75 75 THR CA C 117 61.907 61.923 -0.016 1
1 914 . 2 1 1 A 75 75 THR CB C 117 71.398 69.832 1.566 1
1 916 . 2 1 1 A 75 75 THR N N 117 114.820 115.873 -1.053 1
1 917 . 2 1 1 A 76 76 PHE H H 118 9.657 9.134 0.523 1
1 918 . 2 1 1 A 76 76 PHE HA H 118 4.290 4.599 -0.309 1
1 926 . 2 1 1 A 76 76 PHE C C 118 174.118 174.038 0.080 1
1 927 . 2 1 1 A 76 76 PHE CA C 118 58.185 57.161 1.024 1
1 928 . 2 1 1 A 76 76 PHE CB C 118 40.718 39.182 1.536 1
1 934 . 2 1 1 A 76 76 PHE N N 118 130.378 129.522 0.856 1
1 935 . 2 1 1 A 77 77 LYS H H 119 8.364 8.435 -0.071 1
1 936 . 2 1 1 A 77 77 LYS HA H 119 4.853 4.609 0.244 1
1 945 . 2 1 1 A 77 77 LYS C C 119 175.278 175.298 -0.020 1
1 946 . 2 1 1 A 77 77 LYS CA C 119 55.282 55.575 -0.293 1
1 947 . 2 1 1 A 77 77 LYS CB C 119 31.319 32.091 -0.772 1
1 951 . 2 1 1 A 77 77 LYS N N 119 129.777 127.605 2.172 1
1 952 . 2 1 1 A 78 78 ALA H H 120 8.837 8.682 0.155 1
1 953 . 2 1 1 A 78 78 ALA HA H 120 4.828 4.708 0.120 1
1 957 . 2 1 1 A 78 78 ALA C C 120 176.015 177.788 -1.773 1
1 958 . 2 1 1 A 78 78 ALA CA C 120 51.435 52.791 -1.356 1
1 959 . 2 1 1 A 78 78 ALA CB C 120 20.006 19.245 0.761 1
1 960 . 2 1 1 A 78 78 ALA N N 120 129.771 129.217 0.554 1
1 961 . 2 1 1 A 79 79 ARG H H 121 9.846 9.050 0.796 1
1 962 . 2 1 1 A 79 79 ARG HA H 121 4.582 4.332 0.250 1
1 970 . 2 1 1 A 79 79 ARG C C 121 176.651 176.336 0.315 1
1 971 . 2 1 1 A 79 79 ARG CA C 121 57.420 57.759 -0.339 1
1 972 . 2 1 1 A 79 79 ARG CB C 121 31.773 31.454 0.319 1
1 975 . 2 1 1 A 79 79 ARG N N 121 125.113 124.595 0.518 1
1 977 . 2 1 1 A 80 80 THR H H 122 7.938 7.957 -0.019 1
1 978 . 2 1 1 A 80 80 THR HA H 122 4.921 5.343 -0.422 1
1 983 . 2 1 1 A 80 80 THR C C 122 172.002 172.704 -0.702 1
1 984 . 2 1 1 A 80 80 THR CA C 122 60.475 60.409 0.066 1
1 985 . 2 1 1 A 80 80 THR CB C 122 72.093 72.639 -0.546 1
1 987 . 2 1 1 A 80 80 THR N N 122 109.595 108.850 0.745 1
1 988 . 2 1 1 A 81 81 LEU H H 123 8.196 8.727 -0.531 1
1 989 . 2 1 1 A 81 81 LEU HA H 123 4.701 4.870 -0.169 1
1 999 . 2 1 1 A 81 81 LEU C C 123 173.804 174.091 -0.287 1
1 1000 . 2 1 1 A 81 81 LEU CA C 123 55.357 53.752 1.605 1
1 1001 . 2 1 1 A 81 81 LEU CB C 123 44.009 45.869 -1.860 1
1 1005 . 2 1 1 A 81 81 LEU N N 123 123.214 122.884 0.330 1
1 1006 . 2 1 1 A 82 82 MET H H 124 8.700 8.707 -0.007 1
1 1007 . 2 1 1 A 82 82 MET HA H 124 4.841 5.011 -0.170 1
1 1015 . 2 1 1 A 82 82 MET C C 124 175.097 175.628 -0.531 1
1 1016 . 2 1 1 A 82 82 MET CA C 124 54.190 54.285 -0.095 1
1 1017 . 2 1 1 A 82 82 MET CB C 124 36.191 35.697 0.494 1
1 1020 . 2 1 1 A 82 82 MET N N 124 124.452 124.885 -0.433 1
1 1021 . 2 1 1 A 83 83 THR H H 125 8.671 8.797 -0.126 1
1 1022 . 2 1 1 A 83 83 THR HA H 125 4.934 4.682 0.252 1
1 1027 . 2 1 1 A 83 83 THR C C 125 174.094 176.001 -1.907 1
1 1028 . 2 1 1 A 83 83 THR CA C 125 60.253 60.827 -0.574 1
1 1029 . 2 1 1 A 83 83 THR CB C 125 69.831 70.138 -0.307 1
1 1031 . 2 1 1 A 83 83 THR N N 125 113.070 116.701 -3.631 1
1 1032 . 2 1 1 A 84 84 LYS H H 126 8.419 8.736 -0.317 1
1 1033 . 2 1 1 A 84 84 LYS HA H 126 4.446 4.149 0.297 1
1 1042 . 2 1 1 A 84 84 LYS C C 126 175.461 176.959 -1.498 1
1 1043 . 2 1 1 A 84 84 LYS CA C 126 55.500 58.566 -3.066 1
1 1044 . 2 1 1 A 84 84 LYS CB C 126 33.736 32.459 1.277 1
1 1048 . 2 1 1 A 84 84 LYS N N 126 123.139 122.806 0.333 1
1 1049 . 2 1 1 A 85 85 CYS H H 127 8.543 7.678 0.865 1
1 1050 . 2 1 1 A 85 85 CYS HA H 127 4.795 4.602 0.193 1
1 1053 . 2 1 1 A 85 85 CYS C C 127 172.809 174.509 -1.700 1
1 1054 . 2 1 1 A 85 85 CYS CA C 127 56.423 57.315 -0.892 1
1 1055 . 2 1 1 A 85 85 CYS CB C 127 27.739 28.049 -0.310 1
1 1056 . 2 1 1 A 85 85 CYS N N 127 123.709 117.573 6.136 1
1 1057 . 2 1 1 A 86 86 PRO HA H 128 4.439 4.617 -0.178 1
1 1064 . 2 1 1 A 86 86 PRO C C 128 176.560 176.352 0.208 1
1 1065 . 2 1 1 A 86 86 PRO CA C 128 63.292 62.578 0.714 1
1 1066 . 2 1 1 A 86 86 PRO CB C 128 32.165 32.120 0.045 1
1 1069 . 2 1 1 A 87 87 LEU H H 129 8.274 8.281 -0.007 1
1 1070 . 2 1 1 A 87 87 LEU HA H 129 4.256 4.165 0.091 1
1 1080 . 2 1 1 A 87 87 LEU C C 129 177.141 176.877 0.264 1
1 1081 . 2 1 1 A 87 87 LEU CA C 129 55.281 54.778 0.503 1
1 1082 . 2 1 1 A 87 87 LEU CB C 129 42.299 40.849 1.450 1
1 1086 . 2 1 1 A 87 87 LEU N N 129 122.188 122.883 -0.695 1
1 1 . 3 1 1 A 2 2 ALA HA H 44 4.214 4.564 -0.350 1
1 5 . 3 1 1 A 2 2 ALA C C 44 173.758 177.055 -3.297 1
1 6 . 3 1 1 A 2 2 ALA CA C 44 51.848 51.394 0.454 1
1 7 . 3 1 1 A 2 2 ALA CB C 44 19.505 18.797 0.708 1
1 8 . 3 1 1 A 3 3 THR H H 45 8.709 8.476 0.233 1
1 9 . 3 1 1 A 3 3 THR HA H 45 4.694 4.580 0.114 1
1 14 . 3 1 1 A 3 3 THR CA C 45 60.191 60.104 0.087 1
1 15 . 3 1 1 A 3 3 THR CB C 45 69.815 68.897 0.918 1
1 17 . 3 1 1 A 3 3 THR N N 45 116.649 115.431 1.218 1
1 18 . 3 1 1 A 4 4 PRO HA H 46 4.412 4.633 -0.221 1
1 25 . 3 1 1 A 4 4 PRO C C 46 177.212 176.325 0.887 1
1 26 . 3 1 1 A 4 4 PRO CA C 46 63.698 63.902 -0.204 1
1 27 . 3 1 1 A 4 4 PRO CB C 46 32.117 32.836 -0.719 1
1 30 . 3 1 1 A 5 5 GLN H H 47 8.463 7.879 0.584 1
1 31 . 3 1 1 A 5 5 GLN HA H 47 4.260 4.383 -0.123 1
1 38 . 3 1 1 A 5 5 GLN C C 47 176.073 175.447 0.626 1
1 39 . 3 1 1 A 5 5 GLN CA C 47 56.328 54.926 1.402 1
1 40 . 3 1 1 A 5 5 GLN CB C 47 29.286 29.932 -0.646 1
1 43 . 3 1 1 A 5 5 GLN N N 47 119.945 122.639 -2.694 1
1 45 . 3 1 1 A 6 6 ASP H H 48 8.276 8.346 -0.070 1
1 46 . 3 1 1 A 6 6 ASP HA H 48 4.558 4.123 0.435 1
1 49 . 3 1 1 A 6 6 ASP C C 48 176.454 175.880 0.574 1
1 50 . 3 1 1 A 6 6 ASP CA C 48 54.538 53.906 0.632 1
1 51 . 3 1 1 A 6 6 ASP CB C 48 40.873 38.995 1.878 1
1 52 . 3 1 1 A 6 6 ASP N N 48 120.974 120.436 0.538 1
1 53 . 3 1 1 A 7 7 LYS H H 49 8.218 8.413 -0.195 1
1 54 . 3 1 1 A 7 7 LYS HA H 49 4.264 4.541 -0.277 1
1 63 . 3 1 1 A 7 7 LYS C C 49 176.665 177.430 -0.765 1
1 64 . 3 1 1 A 7 7 LYS CA C 49 56.655 57.551 -0.896 1
1 65 . 3 1 1 A 7 7 LYS CB C 49 32.837 35.382 -2.545 1
1 69 . 3 1 1 A 7 7 LYS N N 49 120.950 126.760 -5.810 1
1 70 . 3 1 1 A 8 8 LEU H H 50 8.010 7.884 0.126 1
1 71 . 3 1 1 A 8 8 LEU HA H 50 4.279 4.536 -0.257 1
1 81 . 3 1 1 A 8 8 LEU C C 50 177.110 177.020 0.090 1
1 82 . 3 1 1 A 8 8 LEU CA C 50 55.353 55.006 0.347 1
1 83 . 3 1 1 A 8 8 LEU CB C 50 42.302 42.001 0.301 1
1 87 . 3 1 1 A 8 8 LEU N N 50 121.105 115.113 5.992 1
1 88 . 3 1 1 A 9 9 HIS H H 51 8.411 7.870 0.541 1
1 89 . 3 1 1 A 9 9 HIS HA H 51 4.780 4.593 0.187 1
1 92 . 3 1 1 A 9 9 HIS C C 51 174.285 175.785 -1.500 1
1 93 . 3 1 1 A 9 9 HIS CA C 51 55.320 57.000 -1.680 1
1 94 . 3 1 1 A 9 9 HIS CB C 51 28.827 31.138 -2.311 1
1 95 . 3 1 1 A 9 9 HIS N N 51 119.035 120.639 -1.604 1
1 96 . 3 1 1 A 10 10 THR H H 52 8.178 8.818 -0.640 1
1 97 . 3 1 1 A 10 10 THR HA H 52 4.488 4.995 -0.507 1
1 102 . 3 1 1 A 10 10 THR C C 52 173.766 173.381 0.385 1
1 103 . 3 1 1 A 10 10 THR CA C 52 62.392 61.676 0.716 1
1 104 . 3 1 1 A 10 10 THR CB C 52 70.104 70.963 -0.859 1
1 106 . 3 1 1 A 10 10 THR N N 52 117.285 117.231 0.054 1
1 107 . 3 1 1 A 11 11 VAL H H 53 9.088 9.233 -0.145 1
1 108 . 3 1 1 A 11 11 VAL HA H 53 4.464 4.707 -0.243 1
1 116 . 3 1 1 A 11 11 VAL C C 53 174.048 174.844 -0.796 1
1 117 . 3 1 1 A 11 11 VAL CA C 53 61.359 61.568 -0.209 1
1 118 . 3 1 1 A 11 11 VAL CB C 53 34.602 33.386 1.216 1
1 121 . 3 1 1 A 11 11 VAL N N 53 123.969 128.408 -4.439 1
1 122 . 3 1 1 A 12 12 ARG H H 54 8.386 8.972 -0.586 1
1 123 . 3 1 1 A 12 12 ARG HA H 54 5.495 5.240 0.255 1
1 131 . 3 1 1 A 12 12 ARG C C 54 175.364 173.740 1.624 1
1 132 . 3 1 1 A 12 12 ARG CA C 54 54.401 54.485 -0.084 1
1 133 . 3 1 1 A 12 12 ARG CB C 54 32.753 33.391 -0.638 1
1 136 . 3 1 1 A 12 12 ARG N N 54 125.294 128.044 -2.750 1
1 138 . 3 1 1 A 13 13 LEU H H 55 8.828 8.626 0.202 1
1 139 . 3 1 1 A 13 13 LEU HA H 55 4.726 5.328 -0.602 1
1 149 . 3 1 1 A 13 13 LEU C C 55 174.223 173.925 0.298 1
1 150 . 3 1 1 A 13 13 LEU CA C 55 53.309 52.722 0.587 1
1 151 . 3 1 1 A 13 13 LEU CB C 55 45.884 46.016 -0.132 1
1 155 . 3 1 1 A 13 13 LEU N N 55 124.874 128.281 -3.407 1
1 156 . 3 1 1 A 14 14 PHE H H 56 8.195 9.056 -0.861 1
1 157 . 3 1 1 A 14 14 PHE HA H 56 5.576 5.466 0.110 1
1 165 . 3 1 1 A 14 14 PHE C C 56 175.266 175.783 -0.517 1
1 166 . 3 1 1 A 14 14 PHE CA C 56 55.009 55.532 -0.523 1
1 167 . 3 1 1 A 14 14 PHE CB C 56 42.340 42.106 0.234 1
1 173 . 3 1 1 A 14 14 PHE N N 56 118.334 124.224 -5.890 1
1 174 . 3 1 1 A 15 15 GLY H H 57 8.134 8.017 0.117 1
1 175 . 3 1 1 A 15 15 GLY HA2 H 57 4.229 4.238 -0.009 1
1 176 . 3 1 1 A 15 15 GLY HA3 H 57 4.004 4.252 -0.248 1
1 177 . 3 1 1 A 15 15 GLY C C 57 171.108 171.739 -0.631 1
1 178 . 3 1 1 A 15 15 GLY CA C 57 45.857 46.263 -0.406 1
1 179 . 3 1 1 A 15 15 GLY N N 57 109.159 109.593 -0.434 1
1 180 . 3 1 1 A 16 16 THR H H 58 8.595 8.136 0.459 1
1 181 . 3 1 1 A 16 16 THR HA H 58 5.114 5.169 -0.055 1
1 186 . 3 1 1 A 16 16 THR C C 58 174.484 173.859 0.625 1
1 187 . 3 1 1 A 16 16 THR CA C 58 60.591 61.294 -0.703 1
1 188 . 3 1 1 A 16 16 THR CB C 58 71.164 71.810 -0.646 1
1 190 . 3 1 1 A 16 16 THR N N 58 113.580 115.552 -1.972 1
1 191 . 3 1 1 A 17 17 VAL H H 59 8.053 8.540 -0.487 1
1 192 . 3 1 1 A 17 17 VAL HA H 59 3.876 4.259 -0.383 1
1 200 . 3 1 1 A 17 17 VAL C C 59 176.315 175.838 0.477 1
1 201 . 3 1 1 A 17 17 VAL CA C 59 63.549 63.335 0.214 1
1 202 . 3 1 1 A 17 17 VAL CB C 59 32.779 31.177 1.602 1
1 205 . 3 1 1 A 17 17 VAL N N 59 124.410 126.206 -1.796 1
1 206 . 3 1 1 A 18 18 ALA H H 60 8.931 8.605 0.326 1
1 207 . 3 1 1 A 18 18 ALA HA H 60 4.354 4.656 -0.302 1
1 211 . 3 1 1 A 18 18 ALA C C 60 177.293 178.241 -0.948 1
1 212 . 3 1 1 A 18 18 ALA CA C 60 52.138 50.717 1.421 1
1 213 . 3 1 1 A 18 18 ALA CB C 60 19.782 20.851 -1.069 1
1 214 . 3 1 1 A 18 18 ALA N N 60 133.912 130.947 2.965 1
1 215 . 3 1 1 A 19 19 ALA H H 61 8.548 8.679 -0.131 1
1 216 . 3 1 1 A 19 19 ALA HA H 61 4.105 4.271 -0.166 1
1 220 . 3 1 1 A 19 19 ALA C C 61 178.793 176.362 2.431 1
1 221 . 3 1 1 A 19 19 ALA CA C 61 54.218 52.784 1.434 1
1 222 . 3 1 1 A 19 19 ALA CB C 61 18.969 19.442 -0.473 1
1 223 . 3 1 1 A 19 19 ALA N N 61 121.667 121.527 0.140 1
1 224 . 3 1 1 A 20 20 ASP H H 62 8.117 8.053 0.064 1
1 225 . 3 1 1 A 20 20 ASP HA H 62 4.602 4.410 0.192 1
1 228 . 3 1 1 A 20 20 ASP C C 62 177.210 177.752 -0.542 1
1 229 . 3 1 1 A 20 20 ASP CA C 62 54.575 55.873 -1.298 1
1 230 . 3 1 1 A 20 20 ASP CB C 62 41.188 40.806 0.382 1
1 231 . 3 1 1 A 20 20 ASP N N 62 115.534 119.032 -3.498 1
1 232 . 3 1 1 A 21 21 GLY H H 63 8.996 8.913 0.083 1
1 233 . 3 1 1 A 21 21 GLY HA2 H 63 4.311 4.040 0.271 1
1 234 . 3 1 1 A 21 21 GLY HA3 H 63 3.888 4.323 -0.435 1
1 235 . 3 1 1 A 21 21 GLY C C 63 173.384 174.512 -1.128 1
1 236 . 3 1 1 A 21 21 GLY CA C 63 46.124 46.371 -0.247 1
1 237 . 3 1 1 A 21 21 GLY N N 63 112.754 114.319 -1.565 1
1 238 . 3 1 1 A 22 22 LEU H H 64 7.380 7.705 -0.325 1
1 239 . 3 1 1 A 22 22 LEU HA H 64 4.964 5.057 -0.093 1
1 249 . 3 1 1 A 22 22 LEU C C 64 178.011 175.495 2.516 1
1 250 . 3 1 1 A 22 22 LEU CA C 64 57.159 54.888 2.271 1
1 251 . 3 1 1 A 22 22 LEU CB C 64 42.160 42.299 -0.139 1
1 255 . 3 1 1 A 22 22 LEU N N 64 123.991 123.608 0.383 1
1 256 . 3 1 1 A 23 23 THR H H 65 9.752 9.027 0.725 1
1 257 . 3 1 1 A 23 23 THR HA H 65 4.755 4.775 -0.020 1
1 262 . 3 1 1 A 23 23 THR C C 65 173.249 173.201 0.048 1
1 263 . 3 1 1 A 23 23 THR CA C 65 61.231 61.437 -0.206 1
1 264 . 3 1 1 A 23 23 THR CB C 65 71.995 72.204 -0.209 1
1 266 . 3 1 1 A 23 23 THR N N 65 124.024 123.617 0.407 1
1 267 . 3 1 1 A 24 24 MET H H 66 8.881 8.631 0.250 1
1 268 . 3 1 1 A 24 24 MET HA H 66 5.019 4.813 0.206 1
1 276 . 3 1 1 A 24 24 MET C C 66 176.750 176.621 0.129 1
1 277 . 3 1 1 A 24 24 MET CA C 66 54.452 54.187 0.265 1
1 278 . 3 1 1 A 24 24 MET CB C 66 31.809 33.278 -1.469 1
1 281 . 3 1 1 A 24 24 MET N N 66 125.215 125.050 0.165 1
1 282 . 3 1 1 A 25 25 LEU H H 67 8.037 8.268 -0.231 1
1 283 . 3 1 1 A 25 25 LEU HA H 67 4.253 4.252 0.001 1
1 293 . 3 1 1 A 25 25 LEU C C 67 176.617 176.627 -0.010 1
1 294 . 3 1 1 A 25 25 LEU CA C 67 55.259 55.178 0.081 1
1 295 . 3 1 1 A 25 25 LEU CB C 67 41.019 42.201 -1.182 1
1 299 . 3 1 1 A 25 25 LEU N N 67 123.282 122.909 0.373 1
1 300 . 3 1 1 A 26 26 ASP H H 68 8.419 8.705 -0.286 1
1 301 . 3 1 1 A 26 26 ASP HA H 68 4.695 4.368 0.327 1
1 304 . 3 1 1 A 26 26 ASP C C 68 176.728 177.402 -0.674 1
1 305 . 3 1 1 A 26 26 ASP CA C 68 53.907 55.784 -1.877 1
1 306 . 3 1 1 A 26 26 ASP CB C 68 41.338 40.369 0.969 1
1 307 . 3 1 1 A 26 26 ASP N N 68 120.434 123.776 -3.342 1
1 308 . 3 1 1 A 27 27 GLY H H 69 8.607 8.784 -0.177 1
1 309 . 3 1 1 A 27 27 GLY HA2 H 69 4.055 3.871 0.184 1
1 310 . 3 1 1 A 27 27 GLY HA3 H 69 3.665 3.874 -0.209 1
1 311 . 3 1 1 A 27 27 GLY C C 69 173.151 173.398 -0.247 1
1 312 . 3 1 1 A 27 27 GLY CA C 69 45.895 46.230 -0.335 1
1 313 . 3 1 1 A 27 27 GLY N N 69 112.545 113.377 -0.832 1
1 314 . 3 1 1 A 28 28 ALA H H 70 7.634 7.360 0.274 1
1 315 . 3 1 1 A 28 28 ALA HA H 70 4.575 4.796 -0.221 1
1 319 . 3 1 1 A 28 28 ALA C C 70 174.090 174.736 -0.646 1
1 320 . 3 1 1 A 28 28 ALA CA C 70 50.137 49.649 0.488 1
1 321 . 3 1 1 A 28 28 ALA CB C 70 19.221 21.951 -2.730 1
1 322 . 3 1 1 A 28 28 ALA N N 70 125.545 120.629 4.916 1
1 323 . 3 1 1 A 29 29 PRO HA H 71 4.462 4.428 0.034 1
1 330 . 3 1 1 A 29 29 PRO C C 71 176.671 175.937 0.734 1
1 331 . 3 1 1 A 29 29 PRO CA C 71 63.021 63.664 -0.643 1
1 332 . 3 1 1 A 29 29 PRO CB C 71 32.015 31.489 0.526 1
1 335 . 3 1 1 A 30 30 GLY H H 72 7.988 8.063 -0.075 1
1 336 . 3 1 1 A 30 30 GLY HA2 H 72 5.001 4.102 0.899 1
1 337 . 3 1 1 A 30 30 GLY HA3 H 72 3.991 4.164 -0.173 1
1 338 . 3 1 1 A 30 30 GLY C C 72 172.906 171.193 1.713 1
1 339 . 3 1 1 A 30 30 GLY CA C 72 45.642 45.070 0.572 1
1 340 . 3 1 1 A 30 30 GLY N N 72 109.355 109.564 -0.209 1
1 341 . 3 1 1 A 31 31 VAL H H 73 9.332 8.594 0.738 1
1 342 . 3 1 1 A 31 31 VAL HA H 73 5.194 5.037 0.157 1
1 350 . 3 1 1 A 31 31 VAL C C 73 171.443 172.964 -1.521 1
1 351 . 3 1 1 A 31 31 VAL CA C 73 60.233 59.541 0.692 1
1 352 . 3 1 1 A 31 31 VAL CB C 73 35.471 35.671 -0.200 1
1 355 . 3 1 1 A 31 31 VAL N N 73 116.539 118.727 -2.188 1
1 356 . 3 1 1 A 32 32 ARG H H 74 8.956 9.113 -0.157 1
1 357 . 3 1 1 A 32 32 ARG HA H 74 5.999 5.640 0.359 1
1 365 . 3 1 1 A 32 32 ARG C C 74 174.581 175.180 -0.599 1
1 366 . 3 1 1 A 32 32 ARG CA C 74 54.187 54.517 -0.330 1
1 367 . 3 1 1 A 32 32 ARG CB C 74 33.463 33.162 0.301 1
1 370 . 3 1 1 A 32 32 ARG N N 74 127.557 128.342 -0.785 1
1 372 . 3 1 1 A 33 33 PHE H H 75 9.262 8.619 0.643 1
1 373 . 3 1 1 A 33 33 PHE HA H 75 5.461 5.313 0.148 1
1 381 . 3 1 1 A 33 33 PHE C C 75 171.210 172.178 -0.968 1
1 382 . 3 1 1 A 33 33 PHE CA C 75 55.947 56.105 -0.158 1
1 383 . 3 1 1 A 33 33 PHE CB C 75 41.151 41.509 -0.358 1
1 389 . 3 1 1 A 33 33 PHE N N 75 120.514 121.208 -0.694 1
1 390 . 3 1 1 A 34 34 ARG H H 76 9.921 8.926 0.995 1
1 391 . 3 1 1 A 34 34 ARG HA H 76 4.368 4.047 0.321 1
1 399 . 3 1 1 A 34 34 ARG C C 76 173.994 175.394 -1.400 1
1 400 . 3 1 1 A 34 34 ARG CA C 76 54.594 55.121 -0.527 1
1 401 . 3 1 1 A 34 34 ARG CB C 76 31.539 31.135 0.404 1
1 404 . 3 1 1 A 34 34 ARG N N 76 122.011 120.669 1.342 1
1 406 . 3 1 1 A 35 35 LEU H H 77 8.781 8.853 -0.072 1
1 407 . 3 1 1 A 35 35 LEU HA H 77 4.755 4.849 -0.094 1
1 417 . 3 1 1 A 35 35 LEU C C 77 176.305 175.641 0.664 1
1 418 . 3 1 1 A 35 35 LEU CA C 77 53.188 54.786 -1.598 1
1 419 . 3 1 1 A 35 35 LEU CB C 77 44.689 42.729 1.960 1
1 423 . 3 1 1 A 35 35 LEU N N 77 127.038 128.581 -1.543 1
1 424 . 3 1 1 A 36 36 GLU H H 78 9.342 8.873 0.469 1
1 425 . 3 1 1 A 36 36 GLU HA H 78 4.531 4.476 0.055 1
1 430 . 3 1 1 A 36 36 GLU C C 78 175.380 175.828 -0.448 1
1 431 . 3 1 1 A 36 36 GLU CA C 78 54.829 56.158 -1.329 1
1 432 . 3 1 1 A 36 36 GLU CB C 78 29.842 29.572 0.270 1
1 434 . 3 1 1 A 36 36 GLU N N 78 126.891 126.315 0.576 1
1 435 . 3 1 1 A 37 37 ASP H H 79 8.418 8.133 0.285 1
1 436 . 3 1 1 A 37 37 ASP HA H 79 4.630 4.540 0.090 1
1 439 . 3 1 1 A 37 37 ASP C C 79 176.623 176.300 0.323 1
1 440 . 3 1 1 A 37 37 ASP CA C 79 53.996 54.716 -0.720 1
1 441 . 3 1 1 A 37 37 ASP CB C 79 41.401 41.663 -0.262 1
1 442 . 3 1 1 A 37 37 ASP N N 79 125.084 126.820 -1.736 1
1 443 . 3 1 1 A 38 38 LYS H H 80 8.691 8.618 0.073 1
1 444 . 3 1 1 A 38 38 LYS HA H 80 4.064 4.313 -0.249 1
1 453 . 3 1 1 A 38 38 LYS C C 80 176.779 178.008 -1.229 1
1 454 . 3 1 1 A 38 38 LYS CA C 80 57.994 58.217 -0.223 1
1 455 . 3 1 1 A 38 38 LYS CB C 80 32.404 32.670 -0.266 1
1 459 . 3 1 1 A 38 38 LYS N N 80 124.179 127.416 -3.237 1
1 460 . 3 1 1 A 39 39 ASP H H 81 8.355 7.780 0.575 1
1 461 . 3 1 1 A 39 39 ASP HA H 81 4.591 4.368 0.223 1
1 464 . 3 1 1 A 39 39 ASP C C 81 175.682 177.585 -1.903 1
1 465 . 3 1 1 A 39 39 ASP CA C 81 54.888 57.657 -2.769 1
1 466 . 3 1 1 A 39 39 ASP CB C 81 41.040 41.134 -0.094 1
1 467 . 3 1 1 A 39 39 ASP N N 81 117.392 119.954 -2.562 1
1 468 . 3 1 1 A 40 40 ASN H H 82 7.954 7.822 0.132 1
1 469 . 3 1 1 A 40 40 ASN HA H 82 4.785 4.868 -0.083 1
1 474 . 3 1 1 A 40 40 ASN C C 82 175.435 175.816 -0.381 1
1 475 . 3 1 1 A 40 40 ASN CA C 82 53.032 53.622 -0.590 1
1 476 . 3 1 1 A 40 40 ASN CB C 82 38.471 40.675 -2.204 1
1 478 . 3 1 1 A 40 40 ASN N N 82 117.785 114.386 3.399 1
1 480 . 3 1 1 A 41 41 THR H H 83 8.518 7.988 0.530 1
1 481 . 3 1 1 A 41 41 THR HA H 83 4.243 4.099 0.144 1
1 486 . 3 1 1 A 41 41 THR C C 83 175.191 174.810 0.381 1
1 487 . 3 1 1 A 41 41 THR CA C 83 63.584 65.255 -1.671 1
1 488 . 3 1 1 A 41 41 THR CB C 83 69.267 66.652 2.615 1
1 490 . 3 1 1 A 41 41 THR N N 83 114.265 110.479 3.786 1
1 491 . 3 1 1 A 42 42 SER H H 84 8.179 8.263 -0.084 1
1 492 . 3 1 1 A 42 42 SER HA H 84 4.439 4.393 0.046 1
1 495 . 3 1 1 A 42 42 SER C C 84 174.269 173.736 0.533 1
1 496 . 3 1 1 A 42 42 SER CA C 84 59.222 59.112 0.110 1
1 497 . 3 1 1 A 42 42 SER CB C 84 63.627 63.528 0.099 1
1 498 . 3 1 1 A 42 42 SER N N 84 115.576 114.491 1.085 1
1 499 . 3 1 1 A 43 43 LYS H H 85 7.911 7.421 0.490 1
1 500 . 3 1 1 A 43 43 LYS HA H 85 4.460 4.863 -0.403 1
1 509 . 3 1 1 A 43 43 LYS C C 85 175.440 174.356 1.084 1
1 510 . 3 1 1 A 43 43 LYS CA C 85 55.961 55.388 0.573 1
1 511 . 3 1 1 A 43 43 LYS CB C 85 33.032 36.209 -3.177 1
1 515 . 3 1 1 A 43 43 LYS N N 85 123.691 121.887 1.804 1
1 516 . 3 1 1 A 44 44 THR H H 86 8.165 8.731 -0.566 1
1 517 . 3 1 1 A 44 44 THR HA H 86 4.904 5.309 -0.405 1
1 522 . 3 1 1 A 44 44 THR C C 86 173.685 172.881 0.804 1
1 523 . 3 1 1 A 44 44 THR CA C 86 60.794 60.273 0.521 1
1 524 . 3 1 1 A 44 44 THR CB C 86 71.046 71.376 -0.330 1
1 526 . 3 1 1 A 44 44 THR N N 86 117.392 113.656 3.736 1
1 527 . 3 1 1 A 45 45 VAL H H 87 8.155 8.777 -0.622 1
1 528 . 3 1 1 A 45 45 VAL HA H 87 4.402 4.385 0.017 1
1 536 . 3 1 1 A 45 45 VAL C C 87 174.343 175.280 -0.937 1
1 537 . 3 1 1 A 45 45 VAL CA C 87 60.551 60.888 -0.337 1
1 538 . 3 1 1 A 45 45 VAL CB C 87 35.225 33.016 2.209 1
1 541 . 3 1 1 A 45 45 VAL N N 87 123.105 125.427 -2.322 1
1 542 . 3 1 1 A 46 46 TRP H H 88 8.574 8.865 -0.291 1
1 543 . 3 1 1 A 46 46 TRP HA H 88 4.789 4.959 -0.170 1
1 552 . 3 1 1 A 46 46 TRP C C 88 175.287 175.807 -0.520 1
1 553 . 3 1 1 A 46 46 TRP CA C 88 57.716 57.083 0.633 1
1 554 . 3 1 1 A 46 46 TRP CB C 88 30.822 29.159 1.663 1
1 560 . 3 1 1 A 46 46 TRP N N 88 126.326 128.526 -2.200 1
1 562 . 3 1 1 A 47 47 VAL H H 89 9.550 8.587 0.963 1
1 563 . 3 1 1 A 47 47 VAL HA H 89 4.884 4.478 0.406 1
1 571 . 3 1 1 A 47 47 VAL C C 89 173.675 174.510 -0.835 1
1 572 . 3 1 1 A 47 47 VAL CA C 89 60.713 62.493 -1.780 1
1 573 . 3 1 1 A 47 47 VAL CB C 89 33.847 31.484 2.363 1
1 576 . 3 1 1 A 47 47 VAL N N 89 123.380 125.498 -2.118 1
1 577 . 3 1 1 A 48 48 LEU H H 90 8.757 8.991 -0.234 1
1 578 . 3 1 1 A 48 48 LEU HA H 90 5.181 4.884 0.297 1
1 588 . 3 1 1 A 48 48 LEU C C 90 175.118 174.967 0.151 1
1 589 . 3 1 1 A 48 48 LEU CA C 90 53.567 53.583 -0.016 1
1 590 . 3 1 1 A 48 48 LEU CB C 90 45.758 43.382 2.376 1
1 594 . 3 1 1 A 48 48 LEU N N 90 125.653 130.091 -4.438 1
1 595 . 3 1 1 A 49 49 TYR H H 91 9.355 9.162 0.193 1
1 596 . 3 1 1 A 49 49 TYR HA H 91 5.196 5.201 -0.005 1
1 603 . 3 1 1 A 49 49 TYR C C 91 172.437 174.073 -1.636 1
1 604 . 3 1 1 A 49 49 TYR CA C 91 56.490 56.272 0.218 1
1 605 . 3 1 1 A 49 49 TYR CB C 91 41.602 41.165 0.437 1
1 610 . 3 1 1 A 49 49 TYR N N 91 129.351 128.803 0.548 1
1 611 . 3 1 1 A 50 50 LYS H H 92 7.805 8.308 -0.503 1
1 612 . 3 1 1 A 50 50 LYS HA H 92 4.450 4.849 -0.399 1
1 621 . 3 1 1 A 50 50 LYS C C 92 173.949 175.434 -1.485 1
1 622 . 3 1 1 A 50 50 LYS CA C 92 55.264 54.599 0.665 1
1 623 . 3 1 1 A 50 50 LYS CB C 92 32.484 34.754 -2.270 1
1 627 . 3 1 1 A 50 50 LYS N N 92 127.571 126.693 0.878 1
1 628 . 3 1 1 A 51 51 GLY H H 93 7.147 8.085 -0.938 1
1 629 . 3 1 1 A 51 51 GLY HA2 H 93 3.810 3.882 -0.072 1
1 630 . 3 1 1 A 51 51 GLY HA3 H 93 3.609 3.992 -0.383 1
1 631 . 3 1 1 A 51 51 GLY C C 93 170.582 172.661 -2.079 1
1 632 . 3 1 1 A 51 51 GLY CA C 93 43.645 43.887 -0.242 1
1 633 . 3 1 1 A 51 51 GLY N N 93 111.723 109.090 2.633 1
1 634 . 3 1 1 A 52 52 ALA H H 94 8.185 8.152 0.033 1
1 635 . 3 1 1 A 52 52 ALA HA H 94 4.273 4.404 -0.131 1
1 639 . 3 1 1 A 52 52 ALA C C 94 178.775 177.301 1.474 1
1 640 . 3 1 1 A 52 52 ALA CA C 94 52.381 52.264 0.117 1
1 641 . 3 1 1 A 52 52 ALA CB C 94 18.392 18.787 -0.395 1
1 642 . 3 1 1 A 52 52 ALA N N 94 119.165 123.351 -4.186 1
1 643 . 3 1 1 A 53 53 VAL H H 95 8.967 8.621 0.346 1
1 644 . 3 1 1 A 53 53 VAL HA H 95 4.200 4.368 -0.168 1
1 652 . 3 1 1 A 53 53 VAL C C 95 174.416 174.419 -0.003 1
1 653 . 3 1 1 A 53 53 VAL CA C 95 60.028 60.577 -0.549 1
1 654 . 3 1 1 A 53 53 VAL CB C 95 32.712 32.107 0.605 1
1 657 . 3 1 1 A 53 53 VAL N N 95 127.597 124.712 2.885 1
1 658 . 3 1 1 A 54 54 PRO HA H 96 4.609 4.519 0.090 1
1 665 . 3 1 1 A 54 54 PRO C C 96 177.752 177.273 0.479 1
1 666 . 3 1 1 A 54 54 PRO CA C 96 62.907 63.254 -0.347 1
1 667 . 3 1 1 A 54 54 PRO CB C 96 32.850 32.662 0.188 1
1 670 . 3 1 1 A 55 55 ASP H H 97 9.047 8.644 0.403 1
1 671 . 3 1 1 A 55 55 ASP HA H 97 4.459 4.350 0.109 1
1 674 . 3 1 1 A 55 55 ASP C C 97 176.541 177.994 -1.453 1
1 675 . 3 1 1 A 55 55 ASP CA C 97 56.434 56.605 -0.171 1
1 676 . 3 1 1 A 55 55 ASP CB C 97 39.845 40.339 -0.494 1
1 677 . 3 1 1 A 55 55 ASP N N 97 122.223 121.527 0.696 1
1 678 . 3 1 1 A 56 56 THR H H 98 7.196 7.597 -0.401 1
1 679 . 3 1 1 A 56 56 THR HA H 98 4.105 4.222 -0.117 1
1 684 . 3 1 1 A 56 56 THR C C 98 174.743 174.930 -0.187 1
1 685 . 3 1 1 A 56 56 THR CA C 98 60.857 63.879 -3.022 1
1 686 . 3 1 1 A 56 56 THR CB C 98 69.227 69.115 0.112 1
1 688 . 3 1 1 A 56 56 THR N N 98 105.196 109.887 -4.691 1
1 689 . 3 1 1 A 57 57 PHE H H 99 7.766 7.702 0.064 1
1 690 . 3 1 1 A 57 57 PHE HA H 99 3.752 4.315 -0.563 1
1 698 . 3 1 1 A 57 57 PHE C C 99 172.629 174.754 -2.125 1
1 699 . 3 1 1 A 57 57 PHE CA C 99 60.570 59.587 0.983 1
1 700 . 3 1 1 A 57 57 PHE CB C 99 40.156 39.700 0.456 1
1 706 . 3 1 1 A 57 57 PHE N N 99 122.514 124.140 -1.626 1
1 707 . 3 1 1 A 58 58 LYS H H 100 6.468 8.089 -1.621 1
1 708 . 3 1 1 A 58 58 LYS HA H 100 4.409 4.486 -0.077 1
1 717 . 3 1 1 A 58 58 LYS C C 100 171.564 172.870 -1.306 1
1 718 . 3 1 1 A 58 58 LYS CA C 100 53.643 54.103 -0.460 1
1 719 . 3 1 1 A 58 58 LYS CB C 100 32.382 34.645 -2.263 1
1 723 . 3 1 1 A 58 58 LYS N N 100 125.478 122.916 2.562 1
1 724 . 3 1 1 A 59 59 PRO HA H 101 3.708 4.072 -0.364 1
1 731 . 3 1 1 A 59 59 PRO C C 101 176.868 177.363 -0.495 1
1 732 . 3 1 1 A 59 59 PRO CA C 101 63.881 63.614 0.267 1
1 733 . 3 1 1 A 59 59 PRO CB C 101 31.168 31.199 -0.031 1
1 736 . 3 1 1 A 60 60 GLY H H 102 9.269 8.575 0.694 1
1 737 . 3 1 1 A 60 60 GLY HA2 H 102 4.299 3.866 0.433 1
1 738 . 3 1 1 A 60 60 GLY HA3 H 102 3.502 3.873 -0.371 1
1 739 . 3 1 1 A 60 60 GLY C C 102 174.023 174.385 -0.362 1
1 740 . 3 1 1 A 60 60 GLY CA C 102 45.005 45.030 -0.025 1
1 741 . 3 1 1 A 60 60 GLY N N 102 112.023 112.829 -0.806 1
1 742 . 3 1 1 A 61 61 VAL H H 103 7.321 7.436 -0.115 1
1 743 . 3 1 1 A 61 61 VAL HA H 103 4.279 4.196 0.083 1
1 751 . 3 1 1 A 61 61 VAL C C 103 174.073 175.367 -1.294 1
1 752 . 3 1 1 A 61 61 VAL CA C 103 61.277 61.697 -0.420 1
1 753 . 3 1 1 A 61 61 VAL CB C 103 32.882 32.539 0.343 1
1 756 . 3 1 1 A 61 61 VAL N N 103 118.571 121.788 -3.217 1
1 757 . 3 1 1 A 62 62 GLU H H 104 8.204 8.436 -0.232 1
1 758 . 3 1 1 A 62 62 GLU HA H 104 4.946 4.703 0.243 1
1 763 . 3 1 1 A 62 62 GLU C C 104 176.252 176.355 -0.103 1
1 764 . 3 1 1 A 62 62 GLU CA C 104 55.398 56.326 -0.928 1
1 765 . 3 1 1 A 62 62 GLU CB C 104 30.129 30.172 -0.043 1
1 767 . 3 1 1 A 62 62 GLU N N 104 123.214 126.832 -3.618 1
1 768 . 3 1 1 A 63 63 VAL H H 105 9.066 8.751 0.315 1
1 769 . 3 1 1 A 63 63 VAL HA H 105 5.297 5.131 0.166 1
1 777 . 3 1 1 A 63 63 VAL C C 105 173.913 174.246 -0.333 1
1 778 . 3 1 1 A 63 63 VAL CA C 105 58.284 59.507 -1.223 1
1 779 . 3 1 1 A 63 63 VAL CB C 105 36.265 34.421 1.844 1
1 782 . 3 1 1 A 63 63 VAL N N 105 115.526 118.580 -3.054 1
1 783 . 3 1 1 A 64 64 ILE H H 106 8.542 9.032 -0.490 1
1 784 . 3 1 1 A 64 64 ILE HA H 106 4.775 4.519 0.256 1
1 794 . 3 1 1 A 64 64 ILE C C 106 176.511 175.493 1.018 1
1 795 . 3 1 1 A 64 64 ILE CA C 106 60.804 59.658 1.146 1
1 796 . 3 1 1 A 64 64 ILE CB C 106 40.991 39.230 1.761 1
1 800 . 3 1 1 A 64 64 ILE N N 106 120.283 123.023 -2.740 1
1 801 . 3 1 1 A 65 65 ILE H H 107 8.944 8.565 0.379 1
1 802 . 3 1 1 A 65 65 ILE HA H 107 5.197 4.973 0.224 1
1 812 . 3 1 1 A 65 65 ILE C C 107 174.076 174.667 -0.591 1
1 813 . 3 1 1 A 65 65 ILE CA C 107 58.384 59.162 -0.778 1
1 814 . 3 1 1 A 65 65 ILE CB C 107 42.082 39.605 2.477 1
1 818 . 3 1 1 A 65 65 ILE N N 107 122.157 124.423 -2.266 1
1 819 . 3 1 1 A 66 66 GLU H H 108 7.762 8.754 -0.992 1
1 820 . 3 1 1 A 66 66 GLU HA H 108 5.801 5.575 0.226 1
1 825 . 3 1 1 A 66 66 GLU C C 108 176.789 175.439 1.350 1
1 826 . 3 1 1 A 66 66 GLU CA C 108 54.063 55.621 -1.558 1
1 827 . 3 1 1 A 66 66 GLU CB C 108 32.818 33.645 -0.827 1
1 829 . 3 1 1 A 66 66 GLU N N 108 119.473 123.928 -4.455 1
1 830 . 3 1 1 A 67 67 GLY H H 109 9.064 8.665 0.399 1
1 831 . 3 1 1 A 67 67 GLY HA2 H 109 4.773 4.200 0.573 1
1 832 . 3 1 1 A 67 67 GLY HA3 H 109 3.948 4.290 -0.342 1
1 833 . 3 1 1 A 67 67 GLY C C 109 170.431 172.239 -1.808 1
1 834 . 3 1 1 A 67 67 GLY CA C 109 46.598 46.002 0.596 1
1 835 . 3 1 1 A 67 67 GLY N N 109 112.366 111.906 0.460 1
1 836 . 3 1 1 A 68 68 GLY H H 110 7.116 7.847 -0.731 1
1 837 . 3 1 1 A 68 68 GLY HA2 H 110 3.949 4.181 -0.232 1
1 838 . 3 1 1 A 68 68 GLY HA3 H 110 3.732 4.272 -0.540 1
1 839 . 3 1 1 A 68 68 GLY C C 110 170.827 171.537 -0.710 1
1 840 . 3 1 1 A 68 68 GLY CA C 110 45.228 45.517 -0.289 1
1 841 . 3 1 1 A 68 68 GLY N N 110 109.402 111.268 -1.866 1
1 842 . 3 1 1 A 69 69 LEU H H 111 8.542 8.918 -0.376 1
1 843 . 3 1 1 A 69 69 LEU HA H 111 4.546 5.078 -0.532 1
1 853 . 3 1 1 A 69 69 LEU C C 111 175.890 174.798 1.092 1
1 854 . 3 1 1 A 69 69 LEU CA C 111 54.400 53.574 0.826 1
1 855 . 3 1 1 A 69 69 LEU CB C 111 43.814 46.681 -2.867 1
1 859 . 3 1 1 A 69 69 LEU N N 111 122.808 122.820 -0.012 1
1 860 . 3 1 1 A 70 70 ALA H H 112 8.889 8.732 0.157 1
1 861 . 3 1 1 A 70 70 ALA HA H 112 4.639 4.568 0.071 1
1 865 . 3 1 1 A 70 70 ALA C C 112 174.900 176.550 -1.650 1
1 866 . 3 1 1 A 70 70 ALA CA C 112 49.951 50.593 -0.642 1
1 867 . 3 1 1 A 70 70 ALA CB C 112 18.111 18.142 -0.031 1
1 868 . 3 1 1 A 70 70 ALA N N 112 130.675 128.939 1.736 1
1 869 . 3 1 1 A 71 71 PRO HA H 113 4.338 4.740 -0.402 1
1 876 . 3 1 1 A 71 71 PRO C C 113 178.206 177.240 0.966 1
1 877 . 3 1 1 A 71 71 PRO CA C 113 64.055 62.572 1.483 1
1 878 . 3 1 1 A 71 71 PRO CB C 113 31.754 29.455 2.299 1
1 881 . 3 1 1 A 72 72 GLY H H 114 8.748 8.249 0.499 1
1 882 . 3 1 1 A 72 72 GLY HA2 H 114 4.165 4.080 0.085 1
1 883 . 3 1 1 A 72 72 GLY HA3 H 114 3.775 4.087 -0.312 1
1 884 . 3 1 1 A 72 72 GLY C C 114 174.200 173.432 0.768 1
1 885 . 3 1 1 A 72 72 GLY CA C 114 45.602 45.796 -0.194 1
1 886 . 3 1 1 A 72 72 GLY N N 114 111.945 110.459 1.486 1
1 887 . 3 1 1 A 73 73 GLU H H 115 7.931 8.022 -0.091 1
1 888 . 3 1 1 A 73 73 GLU HA H 115 4.581 4.737 -0.156 1
1 893 . 3 1 1 A 73 73 GLU C C 115 175.843 175.138 0.705 1
1 894 . 3 1 1 A 73 73 GLU CA C 115 55.732 55.887 -0.155 1
1 895 . 3 1 1 A 73 73 GLU CB C 115 31.128 34.092 -2.964 1
1 897 . 3 1 1 A 73 73 GLU N N 115 118.591 120.224 -1.633 1
1 898 . 3 1 1 A 74 74 ASP H H 116 8.467 8.547 -0.080 1
1 899 . 3 1 1 A 74 74 ASP HA H 116 4.823 4.721 0.102 1
1 902 . 3 1 1 A 74 74 ASP C C 116 175.848 176.715 -0.867 1
1 903 . 3 1 1 A 74 74 ASP CA C 116 53.831 56.634 -2.803 1
1 904 . 3 1 1 A 74 74 ASP CB C 116 41.052 42.513 -1.461 1
1 905 . 3 1 1 A 74 74 ASP N N 116 118.021 122.715 -4.694 1
1 906 . 3 1 1 A 75 75 THR H H 117 7.301 7.343 -0.042 1
1 907 . 3 1 1 A 75 75 THR HA H 117 4.620 5.068 -0.448 1
1 912 . 3 1 1 A 75 75 THR C C 117 172.120 173.808 -1.688 1
1 913 . 3 1 1 A 75 75 THR CA C 117 61.907 61.643 0.264 1
1 914 . 3 1 1 A 75 75 THR CB C 117 71.398 69.549 1.849 1
1 916 . 3 1 1 A 75 75 THR N N 117 114.820 111.972 2.848 1
1 917 . 3 1 1 A 76 76 PHE H H 118 9.657 8.981 0.676 1
1 918 . 3 1 1 A 76 76 PHE HA H 118 4.290 4.730 -0.440 1
1 926 . 3 1 1 A 76 76 PHE C C 118 174.118 174.181 -0.063 1
1 927 . 3 1 1 A 76 76 PHE CA C 118 58.185 57.704 0.481 1
1 928 . 3 1 1 A 76 76 PHE CB C 118 40.718 39.841 0.877 1
1 934 . 3 1 1 A 76 76 PHE N N 118 130.378 126.806 3.572 1
1 935 . 3 1 1 A 77 77 LYS H H 119 8.364 7.879 0.485 1
1 936 . 3 1 1 A 77 77 LYS HA H 119 4.853 4.648 0.205 1
1 945 . 3 1 1 A 77 77 LYS C C 119 175.278 174.965 0.313 1
1 946 . 3 1 1 A 77 77 LYS CA C 119 55.282 55.172 0.110 1
1 947 . 3 1 1 A 77 77 LYS CB C 119 31.319 32.053 -0.734 1
1 951 . 3 1 1 A 77 77 LYS N N 119 129.777 126.214 3.563 1
1 952 . 3 1 1 A 78 78 ALA H H 120 8.837 8.350 0.487 1
1 953 . 3 1 1 A 78 78 ALA HA H 120 4.828 4.602 0.226 1
1 957 . 3 1 1 A 78 78 ALA C C 120 176.015 177.424 -1.409 1
1 958 . 3 1 1 A 78 78 ALA CA C 120 51.435 51.867 -0.432 1
1 959 . 3 1 1 A 78 78 ALA CB C 120 20.006 18.596 1.410 1
1 960 . 3 1 1 A 78 78 ALA N N 120 129.771 129.203 0.568 1
1 961 . 3 1 1 A 79 79 ARG H H 121 9.846 8.508 1.338 1
1 962 . 3 1 1 A 79 79 ARG HA H 121 4.582 4.068 0.514 1
1 970 . 3 1 1 A 79 79 ARG C C 121 176.651 176.032 0.619 1
1 971 . 3 1 1 A 79 79 ARG CA C 121 57.420 58.406 -0.986 1
1 972 . 3 1 1 A 79 79 ARG CB C 121 31.773 30.591 1.182 1
1 975 . 3 1 1 A 79 79 ARG N N 121 125.113 125.677 -0.564 1
1 977 . 3 1 1 A 80 80 THR H H 122 7.938 8.173 -0.235 1
1 978 . 3 1 1 A 80 80 THR HA H 122 4.921 5.137 -0.216 1
1 983 . 3 1 1 A 80 80 THR C C 122 172.002 172.775 -0.773 1
1 984 . 3 1 1 A 80 80 THR CA C 122 60.475 60.310 0.165 1
1 985 . 3 1 1 A 80 80 THR CB C 122 72.093 71.686 0.407 1
1 987 . 3 1 1 A 80 80 THR N N 122 109.595 108.557 1.038 1
1 988 . 3 1 1 A 81 81 LEU H H 123 8.196 8.909 -0.713 1
1 989 . 3 1 1 A 81 81 LEU HA H 123 4.701 4.975 -0.274 1
1 999 . 3 1 1 A 81 81 LEU C C 123 173.804 174.820 -1.016 1
1 1000 . 3 1 1 A 81 81 LEU CA C 123 55.357 54.025 1.332 1
1 1001 . 3 1 1 A 81 81 LEU CB C 123 44.009 45.190 -1.181 1
1 1005 . 3 1 1 A 81 81 LEU N N 123 123.214 124.014 -0.800 1
1 1006 . 3 1 1 A 82 82 MET H H 124 8.700 8.875 -0.175 1
1 1007 . 3 1 1 A 82 82 MET HA H 124 4.841 5.529 -0.688 1
1 1015 . 3 1 1 A 82 82 MET C C 124 175.097 175.066 0.031 1
1 1016 . 3 1 1 A 82 82 MET CA C 124 54.190 53.360 0.830 1
1 1017 . 3 1 1 A 82 82 MET CB C 124 36.191 35.526 0.665 1
1 1020 . 3 1 1 A 82 82 MET N N 124 124.452 124.082 0.370 1
1 1021 . 3 1 1 A 83 83 THR H H 125 8.671 8.500 0.171 1
1 1022 . 3 1 1 A 83 83 THR HA H 125 4.934 4.889 0.045 1
1 1027 . 3 1 1 A 83 83 THR C C 125 174.094 175.409 -1.315 1
1 1028 . 3 1 1 A 83 83 THR CA C 125 60.253 59.697 0.556 1
1 1029 . 3 1 1 A 83 83 THR CB C 125 69.831 71.169 -1.338 1
1 1031 . 3 1 1 A 83 83 THR N N 125 113.070 111.569 1.501 1
1 1032 . 3 1 1 A 84 84 LYS H H 126 8.419 8.832 -0.413 1
1 1033 . 3 1 1 A 84 84 LYS HA H 126 4.446 4.364 0.082 1
1 1042 . 3 1 1 A 84 84 LYS C C 126 175.461 176.123 -0.662 1
1 1043 . 3 1 1 A 84 84 LYS CA C 126 55.500 57.086 -1.586 1
1 1044 . 3 1 1 A 84 84 LYS CB C 126 33.736 33.118 0.618 1
1 1048 . 3 1 1 A 84 84 LYS N N 126 123.139 120.230 2.909 1
1 1049 . 3 1 1 A 85 85 CYS H H 127 8.543 7.619 0.924 1
1 1050 . 3 1 1 A 85 85 CYS HA H 127 4.795 4.661 0.134 1
1 1053 . 3 1 1 A 85 85 CYS C C 127 172.809 173.188 -0.379 1
1 1054 . 3 1 1 A 85 85 CYS CA C 127 56.423 56.783 -0.360 1
1 1055 . 3 1 1 A 85 85 CYS CB C 127 27.739 28.623 -0.884 1
1 1056 . 3 1 1 A 85 85 CYS N N 127 123.709 119.281 4.428 1
1 1057 . 3 1 1 A 86 86 PRO HA H 128 4.439 4.639 -0.200 1
1 1064 . 3 1 1 A 86 86 PRO C C 128 176.560 176.056 0.504 1
1 1065 . 3 1 1 A 86 86 PRO CA C 128 63.292 62.181 1.111 1
1 1066 . 3 1 1 A 86 86 PRO CB C 128 32.165 32.979 -0.814 1
1 1069 . 3 1 1 A 87 87 LEU H H 129 8.274 8.373 -0.099 1
1 1070 . 3 1 1 A 87 87 LEU HA H 129 4.256 4.172 0.084 1
1 1080 . 3 1 1 A 87 87 LEU C C 129 177.141 175.749 1.392 1
1 1081 . 3 1 1 A 87 87 LEU CA C 129 55.281 54.613 0.668 1
1 1082 . 3 1 1 A 87 87 LEU CB C 129 42.299 40.127 2.172 1
1 1086 . 3 1 1 A 87 87 LEU N N 129 122.188 122.076 0.112 1
1 1 . 4 1 1 A 2 2 ALA HA H 44 4.214 4.379 -0.165 1
1 5 . 4 1 1 A 2 2 ALA C C 44 173.758 176.498 -2.740 1
1 6 . 4 1 1 A 2 2 ALA CA C 44 51.848 51.891 -0.043 1
1 7 . 4 1 1 A 2 2 ALA CB C 44 19.505 18.163 1.342 1
1 8 . 4 1 1 A 3 3 THR H H 45 8.709 8.357 0.352 1
1 9 . 4 1 1 A 3 3 THR HA H 45 4.694 4.834 -0.140 1
1 14 . 4 1 1 A 3 3 THR CA C 45 60.191 59.229 0.962 1
1 15 . 4 1 1 A 3 3 THR CB C 45 69.815 70.171 -0.356 1
1 17 . 4 1 1 A 3 3 THR N N 45 116.649 119.667 -3.018 1
1 18 . 4 1 1 A 4 4 PRO HA H 46 4.412 4.793 -0.381 1
1 25 . 4 1 1 A 4 4 PRO C C 46 177.212 175.604 1.608 1
1 26 . 4 1 1 A 4 4 PRO CA C 46 63.698 62.168 1.530 1
1 27 . 4 1 1 A 4 4 PRO CB C 46 32.117 29.232 2.885 1
1 30 . 4 1 1 A 5 5 GLN H H 47 8.463 8.228 0.235 1
1 31 . 4 1 1 A 5 5 GLN HA H 47 4.260 4.465 -0.205 1
1 38 . 4 1 1 A 5 5 GLN C C 47 176.073 174.791 1.282 1
1 39 . 4 1 1 A 5 5 GLN CA C 47 56.328 55.459 0.869 1
1 40 . 4 1 1 A 5 5 GLN CB C 47 29.286 28.590 0.696 1
1 43 . 4 1 1 A 5 5 GLN N N 47 119.945 122.779 -2.834 1
1 45 . 4 1 1 A 6 6 ASP H H 48 8.276 8.384 -0.108 1
1 46 . 4 1 1 A 6 6 ASP HA H 48 4.558 4.699 -0.141 1
1 49 . 4 1 1 A 6 6 ASP C C 48 176.454 175.573 0.881 1
1 50 . 4 1 1 A 6 6 ASP CA C 48 54.538 54.551 -0.013 1
1 51 . 4 1 1 A 6 6 ASP CB C 48 40.873 42.156 -1.283 1
1 52 . 4 1 1 A 6 6 ASP N N 48 120.974 128.310 -7.336 1
1 53 . 4 1 1 A 7 7 LYS H H 49 8.218 9.080 -0.862 1
1 54 . 4 1 1 A 7 7 LYS HA H 49 4.264 4.562 -0.298 1
1 63 . 4 1 1 A 7 7 LYS C C 49 176.665 176.350 0.315 1
1 64 . 4 1 1 A 7 7 LYS CA C 49 56.655 57.499 -0.844 1
1 65 . 4 1 1 A 7 7 LYS CB C 49 32.837 34.497 -1.660 1
1 69 . 4 1 1 A 7 7 LYS N N 49 120.950 123.731 -2.781 1
1 70 . 4 1 1 A 8 8 LEU H H 50 8.010 8.217 -0.207 1
1 71 . 4 1 1 A 8 8 LEU HA H 50 4.279 4.403 -0.124 1
1 81 . 4 1 1 A 8 8 LEU C C 50 177.110 175.974 1.136 1
1 82 . 4 1 1 A 8 8 LEU CA C 50 55.353 54.117 1.236 1
1 83 . 4 1 1 A 8 8 LEU CB C 50 42.302 39.695 2.607 1
1 87 . 4 1 1 A 8 8 LEU N N 50 121.105 120.754 0.351 1
1 88 . 4 1 1 A 9 9 HIS H H 51 8.411 7.709 0.702 1
1 89 . 4 1 1 A 9 9 HIS HA H 51 4.780 4.815 -0.035 1
1 92 . 4 1 1 A 9 9 HIS C C 51 174.285 174.125 0.160 1
1 93 . 4 1 1 A 9 9 HIS CA C 51 55.320 54.435 0.885 1
1 94 . 4 1 1 A 9 9 HIS CB C 51 28.827 29.424 -0.597 1
1 95 . 4 1 1 A 9 9 HIS N N 51 119.035 121.764 -2.729 1
1 96 . 4 1 1 A 10 10 THR H H 52 8.178 8.063 0.115 1
1 97 . 4 1 1 A 10 10 THR HA H 52 4.488 4.602 -0.114 1
1 102 . 4 1 1 A 10 10 THR C C 52 173.766 174.103 -0.337 1
1 103 . 4 1 1 A 10 10 THR CA C 52 62.392 61.849 0.543 1
1 104 . 4 1 1 A 10 10 THR CB C 52 70.104 70.041 0.063 1
1 106 . 4 1 1 A 10 10 THR N N 52 117.285 117.357 -0.072 1
1 107 . 4 1 1 A 11 11 VAL H H 53 9.088 8.996 0.092 1
1 108 . 4 1 1 A 11 11 VAL HA H 53 4.464 4.611 -0.147 1
1 116 . 4 1 1 A 11 11 VAL C C 53 174.048 174.415 -0.367 1
1 117 . 4 1 1 A 11 11 VAL CA C 53 61.359 61.374 -0.015 1
1 118 . 4 1 1 A 11 11 VAL CB C 53 34.602 33.383 1.219 1
1 121 . 4 1 1 A 11 11 VAL N N 53 123.969 126.483 -2.514 1
1 122 . 4 1 1 A 12 12 ARG H H 54 8.386 9.064 -0.678 1
1 123 . 4 1 1 A 12 12 ARG HA H 54 5.495 5.306 0.189 1
1 131 . 4 1 1 A 12 12 ARG C C 54 175.364 174.119 1.245 1
1 132 . 4 1 1 A 12 12 ARG CA C 54 54.401 54.332 0.069 1
1 133 . 4 1 1 A 12 12 ARG CB C 54 32.753 33.970 -1.217 1
1 136 . 4 1 1 A 12 12 ARG N N 54 125.294 128.286 -2.992 1
1 138 . 4 1 1 A 13 13 LEU H H 55 8.828 8.720 0.108 1
1 139 . 4 1 1 A 13 13 LEU HA H 55 4.726 4.949 -0.223 1
1 149 . 4 1 1 A 13 13 LEU C C 55 174.223 174.019 0.204 1
1 150 . 4 1 1 A 13 13 LEU CA C 55 53.309 53.968 -0.659 1
1 151 . 4 1 1 A 13 13 LEU CB C 55 45.884 45.820 0.064 1
1 155 . 4 1 1 A 13 13 LEU N N 55 124.874 126.738 -1.864 1
1 156 . 4 1 1 A 14 14 PHE H H 56 8.195 8.968 -0.773 1
1 157 . 4 1 1 A 14 14 PHE HA H 56 5.576 5.473 0.103 1
1 165 . 4 1 1 A 14 14 PHE C C 56 175.266 176.202 -0.936 1
1 166 . 4 1 1 A 14 14 PHE CA C 56 55.009 55.610 -0.601 1
1 167 . 4 1 1 A 14 14 PHE CB C 56 42.340 41.896 0.444 1
1 173 . 4 1 1 A 14 14 PHE N N 56 118.334 124.637 -6.303 1
1 174 . 4 1 1 A 15 15 GLY H H 57 8.134 8.147 -0.013 1
1 175 . 4 1 1 A 15 15 GLY HA2 H 57 4.229 4.221 0.008 1
1 176 . 4 1 1 A 15 15 GLY HA3 H 57 4.004 4.234 -0.230 1
1 177 . 4 1 1 A 15 15 GLY C C 57 171.108 171.546 -0.438 1
1 178 . 4 1 1 A 15 15 GLY CA C 57 45.857 46.073 -0.216 1
1 179 . 4 1 1 A 15 15 GLY N N 57 109.159 109.688 -0.529 1
1 180 . 4 1 1 A 16 16 THR H H 58 8.595 8.357 0.238 1
1 181 . 4 1 1 A 16 16 THR HA H 58 5.114 5.051 0.063 1
1 186 . 4 1 1 A 16 16 THR C C 58 174.484 174.506 -0.022 1
1 187 . 4 1 1 A 16 16 THR CA C 58 60.591 61.397 -0.806 1
1 188 . 4 1 1 A 16 16 THR CB C 58 71.164 70.634 0.530 1
1 190 . 4 1 1 A 16 16 THR N N 58 113.580 116.196 -2.616 1
1 191 . 4 1 1 A 17 17 VAL H H 59 8.053 8.671 -0.618 1
1 192 . 4 1 1 A 17 17 VAL HA H 59 3.876 4.087 -0.211 1
1 200 . 4 1 1 A 17 17 VAL C C 59 176.315 175.716 0.599 1
1 201 . 4 1 1 A 17 17 VAL CA C 59 63.549 63.312 0.237 1
1 202 . 4 1 1 A 17 17 VAL CB C 59 32.779 31.090 1.689 1
1 205 . 4 1 1 A 17 17 VAL N N 59 124.410 127.606 -3.196 1
1 206 . 4 1 1 A 18 18 ALA H H 60 8.931 8.469 0.462 1
1 207 . 4 1 1 A 18 18 ALA HA H 60 4.354 4.556 -0.202 1
1 211 . 4 1 1 A 18 18 ALA C C 60 177.293 178.076 -0.783 1
1 212 . 4 1 1 A 18 18 ALA CA C 60 52.138 51.456 0.682 1
1 213 . 4 1 1 A 18 18 ALA CB C 60 19.782 20.079 -0.297 1
1 214 . 4 1 1 A 18 18 ALA N N 60 133.912 130.555 3.357 1
1 215 . 4 1 1 A 19 19 ALA H H 61 8.548 8.727 -0.179 1
1 216 . 4 1 1 A 19 19 ALA HA H 61 4.105 4.225 -0.120 1
1 220 . 4 1 1 A 19 19 ALA C C 61 178.793 177.196 1.597 1
1 221 . 4 1 1 A 19 19 ALA CA C 61 54.218 52.771 1.447 1
1 222 . 4 1 1 A 19 19 ALA CB C 61 18.969 19.374 -0.405 1
1 223 . 4 1 1 A 19 19 ALA N N 61 121.667 123.279 -1.612 1
1 224 . 4 1 1 A 20 20 ASP H H 62 8.117 7.576 0.541 1
1 225 . 4 1 1 A 20 20 ASP HA H 62 4.602 4.545 0.057 1
1 228 . 4 1 1 A 20 20 ASP C C 62 177.210 177.161 0.049 1
1 229 . 4 1 1 A 20 20 ASP CA C 62 54.575 55.693 -1.118 1
1 230 . 4 1 1 A 20 20 ASP CB C 62 41.188 39.983 1.205 1
1 231 . 4 1 1 A 20 20 ASP N N 62 115.534 119.079 -3.545 1
1 232 . 4 1 1 A 21 21 GLY H H 63 8.996 8.812 0.184 1
1 233 . 4 1 1 A 21 21 GLY HA2 H 63 4.311 4.077 0.234 1
1 234 . 4 1 1 A 21 21 GLY HA3 H 63 3.888 4.197 -0.309 1
1 235 . 4 1 1 A 21 21 GLY C C 63 173.384 174.303 -0.919 1
1 236 . 4 1 1 A 21 21 GLY CA C 63 46.124 45.937 0.187 1
1 237 . 4 1 1 A 21 21 GLY N N 63 112.754 111.724 1.030 1
1 238 . 4 1 1 A 22 22 LEU H H 64 7.380 7.503 -0.123 1
1 239 . 4 1 1 A 22 22 LEU HA H 64 4.964 5.003 -0.039 1
1 249 . 4 1 1 A 22 22 LEU C C 64 178.011 175.688 2.323 1
1 250 . 4 1 1 A 22 22 LEU CA C 64 57.159 54.871 2.288 1
1 251 . 4 1 1 A 22 22 LEU CB C 64 42.160 42.411 -0.251 1
1 255 . 4 1 1 A 22 22 LEU N N 64 123.991 123.533 0.458 1
1 256 . 4 1 1 A 23 23 THR H H 65 9.752 9.061 0.691 1
1 257 . 4 1 1 A 23 23 THR HA H 65 4.755 5.249 -0.494 1
1 262 . 4 1 1 A 23 23 THR C C 65 173.249 173.016 0.233 1
1 263 . 4 1 1 A 23 23 THR CA C 65 61.231 60.384 0.847 1
1 264 . 4 1 1 A 23 23 THR CB C 65 71.995 71.778 0.217 1
1 266 . 4 1 1 A 23 23 THR N N 65 124.024 116.985 7.039 1
1 267 . 4 1 1 A 24 24 MET H H 66 8.881 8.509 0.372 1
1 268 . 4 1 1 A 24 24 MET HA H 66 5.019 4.897 0.122 1
1 276 . 4 1 1 A 24 24 MET C C 66 176.750 176.122 0.628 1
1 277 . 4 1 1 A 24 24 MET CA C 66 54.452 54.419 0.033 1
1 278 . 4 1 1 A 24 24 MET CB C 66 31.809 32.599 -0.790 1
1 281 . 4 1 1 A 24 24 MET N N 66 125.215 124.103 1.112 1
1 282 . 4 1 1 A 25 25 LEU H H 67 8.037 8.226 -0.189 1
1 283 . 4 1 1 A 25 25 LEU HA H 67 4.253 4.275 -0.022 1
1 293 . 4 1 1 A 25 25 LEU C C 67 176.617 176.456 0.161 1
1 294 . 4 1 1 A 25 25 LEU CA C 67 55.259 55.340 -0.081 1
1 295 . 4 1 1 A 25 25 LEU CB C 67 41.019 41.153 -0.134 1
1 299 . 4 1 1 A 25 25 LEU N N 67 123.282 124.537 -1.255 1
1 300 . 4 1 1 A 26 26 ASP H H 68 8.419 8.780 -0.361 1
1 301 . 4 1 1 A 26 26 ASP HA H 68 4.695 4.412 0.283 1
1 304 . 4 1 1 A 26 26 ASP C C 68 176.728 177.300 -0.572 1
1 305 . 4 1 1 A 26 26 ASP CA C 68 53.907 55.650 -1.743 1
1 306 . 4 1 1 A 26 26 ASP CB C 68 41.338 40.577 0.761 1
1 307 . 4 1 1 A 26 26 ASP N N 68 120.434 124.865 -4.431 1
1 308 . 4 1 1 A 27 27 GLY H H 69 8.607 8.749 -0.142 1
1 309 . 4 1 1 A 27 27 GLY HA2 H 69 4.055 3.876 0.179 1
1 310 . 4 1 1 A 27 27 GLY HA3 H 69 3.665 3.879 -0.214 1
1 311 . 4 1 1 A 27 27 GLY C C 69 173.151 173.470 -0.319 1
1 312 . 4 1 1 A 27 27 GLY CA C 69 45.895 45.909 -0.014 1
1 313 . 4 1 1 A 27 27 GLY N N 69 112.545 113.372 -0.827 1
1 314 . 4 1 1 A 28 28 ALA H H 70 7.634 7.351 0.283 1
1 315 . 4 1 1 A 28 28 ALA HA H 70 4.575 4.776 -0.201 1
1 319 . 4 1 1 A 28 28 ALA C C 70 174.090 174.761 -0.671 1
1 320 . 4 1 1 A 28 28 ALA CA C 70 50.137 49.587 0.550 1
1 321 . 4 1 1 A 28 28 ALA CB C 70 19.221 22.120 -2.899 1
1 322 . 4 1 1 A 28 28 ALA N N 70 125.545 120.506 5.039 1
1 323 . 4 1 1 A 29 29 PRO HA H 71 4.462 4.521 -0.059 1
1 330 . 4 1 1 A 29 29 PRO C C 71 176.671 176.000 0.671 1
1 331 . 4 1 1 A 29 29 PRO CA C 71 63.021 63.530 -0.509 1
1 332 . 4 1 1 A 29 29 PRO CB C 71 32.015 31.480 0.535 1
1 335 . 4 1 1 A 30 30 GLY H H 72 7.988 7.914 0.074 1
1 336 . 4 1 1 A 30 30 GLY HA2 H 72 5.001 4.065 0.936 1
1 337 . 4 1 1 A 30 30 GLY HA3 H 72 3.991 4.065 -0.074 1
1 338 . 4 1 1 A 30 30 GLY C C 72 172.906 171.198 1.708 1
1 339 . 4 1 1 A 30 30 GLY CA C 72 45.642 45.285 0.357 1
1 340 . 4 1 1 A 30 30 GLY N N 72 109.355 109.788 -0.433 1
1 341 . 4 1 1 A 31 31 VAL H H 73 9.332 8.562 0.770 1
1 342 . 4 1 1 A 31 31 VAL HA H 73 5.194 5.098 0.096 1
1 350 . 4 1 1 A 31 31 VAL C C 73 171.443 172.950 -1.507 1
1 351 . 4 1 1 A 31 31 VAL CA C 73 60.233 59.561 0.672 1
1 352 . 4 1 1 A 31 31 VAL CB C 73 35.471 35.782 -0.311 1
1 355 . 4 1 1 A 31 31 VAL N N 73 116.539 118.496 -1.957 1
1 356 . 4 1 1 A 32 32 ARG H H 74 8.956 8.977 -0.021 1
1 357 . 4 1 1 A 32 32 ARG HA H 74 5.999 5.666 0.333 1
1 365 . 4 1 1 A 32 32 ARG C C 74 174.581 174.924 -0.343 1
1 366 . 4 1 1 A 32 32 ARG CA C 74 54.187 54.435 -0.248 1
1 367 . 4 1 1 A 32 32 ARG CB C 74 33.463 33.965 -0.502 1
1 370 . 4 1 1 A 32 32 ARG N N 74 127.557 128.058 -0.501 1
1 372 . 4 1 1 A 33 33 PHE H H 75 9.262 8.571 0.691 1
1 373 . 4 1 1 A 33 33 PHE HA H 75 5.461 5.294 0.167 1
1 381 . 4 1 1 A 33 33 PHE C C 75 171.210 172.748 -1.538 1
1 382 . 4 1 1 A 33 33 PHE CA C 75 55.947 56.234 -0.287 1
1 383 . 4 1 1 A 33 33 PHE CB C 75 41.151 41.173 -0.022 1
1 389 . 4 1 1 A 33 33 PHE N N 75 120.514 120.850 -0.336 1
1 390 . 4 1 1 A 34 34 ARG H H 76 9.921 8.650 1.271 1
1 391 . 4 1 1 A 34 34 ARG HA H 76 4.368 4.673 -0.305 1
1 399 . 4 1 1 A 34 34 ARG C C 76 173.994 174.615 -0.621 1
1 400 . 4 1 1 A 34 34 ARG CA C 76 54.594 54.268 0.326 1
1 401 . 4 1 1 A 34 34 ARG CB C 76 31.539 32.265 -0.726 1
1 404 . 4 1 1 A 34 34 ARG N N 76 122.011 118.777 3.234 1
1 406 . 4 1 1 A 35 35 LEU H H 77 8.781 8.884 -0.103 1
1 407 . 4 1 1 A 35 35 LEU HA H 77 4.755 5.049 -0.294 1
1 417 . 4 1 1 A 35 35 LEU C C 77 176.305 175.126 1.179 1
1 418 . 4 1 1 A 35 35 LEU CA C 77 53.188 53.948 -0.760 1
1 419 . 4 1 1 A 35 35 LEU CB C 77 44.689 43.992 0.697 1
1 423 . 4 1 1 A 35 35 LEU N N 77 127.038 125.942 1.096 1
1 424 . 4 1 1 A 36 36 GLU H H 78 9.342 8.824 0.518 1
1 425 . 4 1 1 A 36 36 GLU HA H 78 4.531 4.537 -0.006 1
1 430 . 4 1 1 A 36 36 GLU C C 78 175.380 175.171 0.209 1
1 431 . 4 1 1 A 36 36 GLU CA C 78 54.829 56.188 -1.359 1
1 432 . 4 1 1 A 36 36 GLU CB C 78 29.842 29.779 0.063 1
1 434 . 4 1 1 A 36 36 GLU N N 78 126.891 126.369 0.522 1
1 435 . 4 1 1 A 37 37 ASP H H 79 8.418 8.862 -0.444 1
1 436 . 4 1 1 A 37 37 ASP HA H 79 4.630 4.937 -0.307 1
1 439 . 4 1 1 A 37 37 ASP C C 79 176.623 177.493 -0.870 1
1 440 . 4 1 1 A 37 37 ASP CA C 79 53.996 54.055 -0.059 1
1 441 . 4 1 1 A 37 37 ASP CB C 79 41.401 42.960 -1.559 1
1 442 . 4 1 1 A 37 37 ASP N N 79 125.084 126.783 -1.699 1
1 443 . 4 1 1 A 38 38 LYS H H 80 8.691 8.668 0.023 1
1 444 . 4 1 1 A 38 38 LYS HA H 80 4.064 4.191 -0.127 1
1 453 . 4 1 1 A 38 38 LYS C C 80 176.779 178.913 -2.134 1
1 454 . 4 1 1 A 38 38 LYS CA C 80 57.994 58.254 -0.260 1
1 455 . 4 1 1 A 38 38 LYS CB C 80 32.404 33.357 -0.953 1
1 459 . 4 1 1 A 38 38 LYS N N 80 124.179 122.512 1.667 1
1 460 . 4 1 1 A 39 39 ASP H H 81 8.355 7.927 0.428 1
1 461 . 4 1 1 A 39 39 ASP HA H 81 4.591 4.462 0.129 1
1 464 . 4 1 1 A 39 39 ASP C C 81 175.682 176.029 -0.347 1
1 465 . 4 1 1 A 39 39 ASP CA C 81 54.888 56.697 -1.809 1
1 466 . 4 1 1 A 39 39 ASP CB C 81 41.040 41.149 -0.109 1
1 467 . 4 1 1 A 39 39 ASP N N 81 117.392 120.080 -2.688 1
1 468 . 4 1 1 A 40 40 ASN H H 82 7.954 7.526 0.428 1
1 469 . 4 1 1 A 40 40 ASN HA H 82 4.785 4.790 -0.005 1
1 474 . 4 1 1 A 40 40 ASN C C 82 175.435 174.721 0.714 1
1 475 . 4 1 1 A 40 40 ASN CA C 82 53.032 53.236 -0.204 1
1 476 . 4 1 1 A 40 40 ASN CB C 82 38.471 39.364 -0.893 1
1 478 . 4 1 1 A 40 40 ASN N N 82 117.785 114.752 3.033 1
1 480 . 4 1 1 A 41 41 THR H H 83 8.518 8.541 -0.023 1
1 481 . 4 1 1 A 41 41 THR HA H 83 4.243 4.442 -0.199 1
1 486 . 4 1 1 A 41 41 THR C C 83 175.191 174.597 0.594 1
1 487 . 4 1 1 A 41 41 THR CA C 83 63.584 60.610 2.974 1
1 488 . 4 1 1 A 41 41 THR CB C 83 69.267 68.146 1.121 1
1 490 . 4 1 1 A 41 41 THR N N 83 114.265 118.416 -4.151 1
1 491 . 4 1 1 A 42 42 SER H H 84 8.179 8.401 -0.222 1
1 492 . 4 1 1 A 42 42 SER HA H 84 4.439 4.038 0.401 1
1 495 . 4 1 1 A 42 42 SER C C 84 174.269 173.241 1.028 1
1 496 . 4 1 1 A 42 42 SER CA C 84 59.222 59.078 0.144 1
1 497 . 4 1 1 A 42 42 SER CB C 84 63.627 61.709 1.918 1
1 498 . 4 1 1 A 42 42 SER N N 84 115.576 122.721 -7.145 1
1 499 . 4 1 1 A 43 43 LYS H H 85 7.911 7.690 0.221 1
1 500 . 4 1 1 A 43 43 LYS HA H 85 4.460 4.738 -0.278 1
1 509 . 4 1 1 A 43 43 LYS C C 85 175.440 174.421 1.019 1
1 510 . 4 1 1 A 43 43 LYS CA C 85 55.961 55.782 0.179 1
1 511 . 4 1 1 A 43 43 LYS CB C 85 33.032 36.139 -3.107 1
1 515 . 4 1 1 A 43 43 LYS N N 85 123.691 121.759 1.932 1
1 516 . 4 1 1 A 44 44 THR H H 86 8.165 8.782 -0.617 1
1 517 . 4 1 1 A 44 44 THR HA H 86 4.904 5.564 -0.660 1
1 522 . 4 1 1 A 44 44 THR C C 86 173.685 173.145 0.540 1
1 523 . 4 1 1 A 44 44 THR CA C 86 60.794 60.119 0.675 1
1 524 . 4 1 1 A 44 44 THR CB C 86 71.046 71.303 -0.257 1
1 526 . 4 1 1 A 44 44 THR N N 86 117.392 114.842 2.550 1
1 527 . 4 1 1 A 45 45 VAL H H 87 8.155 8.630 -0.475 1
1 528 . 4 1 1 A 45 45 VAL HA H 87 4.402 4.491 -0.089 1
1 536 . 4 1 1 A 45 45 VAL C C 87 174.343 175.582 -1.239 1
1 537 . 4 1 1 A 45 45 VAL CA C 87 60.551 60.994 -0.443 1
1 538 . 4 1 1 A 45 45 VAL CB C 87 35.225 33.118 2.107 1
1 541 . 4 1 1 A 45 45 VAL N N 87 123.105 124.855 -1.750 1
1 542 . 4 1 1 A 46 46 TRP H H 88 8.574 8.797 -0.223 1
1 543 . 4 1 1 A 46 46 TRP HA H 88 4.789 4.986 -0.197 1
1 552 . 4 1 1 A 46 46 TRP C C 88 175.287 176.868 -1.581 1
1 553 . 4 1 1 A 46 46 TRP CA C 88 57.716 57.604 0.112 1
1 554 . 4 1 1 A 46 46 TRP CB C 88 30.822 30.838 -0.016 1
1 560 . 4 1 1 A 46 46 TRP N N 88 126.326 128.363 -2.037 1
1 562 . 4 1 1 A 47 47 VAL H H 89 9.550 8.563 0.987 1
1 563 . 4 1 1 A 47 47 VAL HA H 89 4.884 4.737 0.147 1
1 571 . 4 1 1 A 47 47 VAL C C 89 173.675 174.134 -0.459 1
1 572 . 4 1 1 A 47 47 VAL CA C 89 60.713 61.311 -0.598 1
1 573 . 4 1 1 A 47 47 VAL CB C 89 33.847 32.443 1.404 1
1 576 . 4 1 1 A 47 47 VAL N N 89 123.380 122.889 0.491 1
1 577 . 4 1 1 A 48 48 LEU H H 90 8.757 8.971 -0.214 1
1 578 . 4 1 1 A 48 48 LEU HA H 90 5.181 4.865 0.316 1
1 588 . 4 1 1 A 48 48 LEU C C 90 175.118 174.948 0.170 1
1 589 . 4 1 1 A 48 48 LEU CA C 90 53.567 53.569 -0.002 1
1 590 . 4 1 1 A 48 48 LEU CB C 90 45.758 43.211 2.547 1
1 594 . 4 1 1 A 48 48 LEU N N 90 125.653 129.939 -4.286 1
1 595 . 4 1 1 A 49 49 TYR H H 91 9.355 9.013 0.342 1
1 596 . 4 1 1 A 49 49 TYR HA H 91 5.196 5.067 0.129 1
1 603 . 4 1 1 A 49 49 TYR C C 91 172.437 174.149 -1.712 1
1 604 . 4 1 1 A 49 49 TYR CA C 91 56.490 56.385 0.105 1
1 605 . 4 1 1 A 49 49 TYR CB C 91 41.602 40.753 0.849 1
1 610 . 4 1 1 A 49 49 TYR N N 91 129.351 128.773 0.578 1
1 611 . 4 1 1 A 50 50 LYS H H 92 7.805 8.410 -0.605 1
1 612 . 4 1 1 A 50 50 LYS HA H 92 4.450 4.734 -0.284 1
1 621 . 4 1 1 A 50 50 LYS C C 92 173.949 175.412 -1.463 1
1 622 . 4 1 1 A 50 50 LYS CA C 92 55.264 54.504 0.760 1
1 623 . 4 1 1 A 50 50 LYS CB C 92 32.484 35.184 -2.700 1
1 627 . 4 1 1 A 50 50 LYS N N 92 127.571 126.423 1.148 1
1 628 . 4 1 1 A 51 51 GLY H H 93 7.147 8.259 -1.112 1
1 629 . 4 1 1 A 51 51 GLY HA2 H 93 3.810 3.943 -0.133 1
1 630 . 4 1 1 A 51 51 GLY HA3 H 93 3.609 4.049 -0.440 1
1 631 . 4 1 1 A 51 51 GLY C C 93 170.582 173.265 -2.683 1
1 632 . 4 1 1 A 51 51 GLY CA C 93 43.645 43.600 0.045 1
1 633 . 4 1 1 A 51 51 GLY N N 93 111.723 108.948 2.775 1
1 634 . 4 1 1 A 52 52 ALA H H 94 8.185 8.238 -0.053 1
1 635 . 4 1 1 A 52 52 ALA HA H 94 4.273 4.374 -0.101 1
1 639 . 4 1 1 A 52 52 ALA C C 94 178.775 177.658 1.117 1
1 640 . 4 1 1 A 52 52 ALA CA C 94 52.381 52.526 -0.145 1
1 641 . 4 1 1 A 52 52 ALA CB C 94 18.392 19.204 -0.812 1
1 642 . 4 1 1 A 52 52 ALA N N 94 119.165 122.966 -3.801 1
1 643 . 4 1 1 A 53 53 VAL H H 95 8.967 8.653 0.314 1
1 644 . 4 1 1 A 53 53 VAL HA H 95 4.200 4.524 -0.324 1
1 652 . 4 1 1 A 53 53 VAL C C 95 174.416 174.554 -0.138 1
1 653 . 4 1 1 A 53 53 VAL CA C 95 60.028 60.727 -0.699 1
1 654 . 4 1 1 A 53 53 VAL CB C 95 32.712 32.195 0.517 1
1 657 . 4 1 1 A 53 53 VAL N N 95 127.597 124.390 3.207 1
1 658 . 4 1 1 A 54 54 PRO HA H 96 4.609 4.622 -0.013 1
1 665 . 4 1 1 A 54 54 PRO C C 96 177.752 177.263 0.489 1
1 666 . 4 1 1 A 54 54 PRO CA C 96 62.907 63.143 -0.236 1
1 667 . 4 1 1 A 54 54 PRO CB C 96 32.850 32.477 0.373 1
1 670 . 4 1 1 A 55 55 ASP H H 97 9.047 8.791 0.256 1
1 671 . 4 1 1 A 55 55 ASP HA H 97 4.459 4.337 0.122 1
1 674 . 4 1 1 A 55 55 ASP C C 97 176.541 178.265 -1.724 1
1 675 . 4 1 1 A 55 55 ASP CA C 97 56.434 56.487 -0.053 1
1 676 . 4 1 1 A 55 55 ASP CB C 97 39.845 39.781 0.064 1
1 677 . 4 1 1 A 55 55 ASP N N 97 122.223 124.101 -1.878 1
1 678 . 4 1 1 A 56 56 THR H H 98 7.196 7.893 -0.697 1
1 679 . 4 1 1 A 56 56 THR HA H 98 4.105 4.128 -0.023 1
1 684 . 4 1 1 A 56 56 THR C C 98 174.743 174.912 -0.169 1
1 685 . 4 1 1 A 56 56 THR CA C 98 60.857 63.854 -2.997 1
1 686 . 4 1 1 A 56 56 THR CB C 98 69.227 68.897 0.330 1
1 688 . 4 1 1 A 56 56 THR N N 98 105.196 113.779 -8.583 1
1 689 . 4 1 1 A 57 57 PHE H H 99 7.766 7.478 0.288 1
1 690 . 4 1 1 A 57 57 PHE HA H 99 3.752 4.354 -0.602 1
1 698 . 4 1 1 A 57 57 PHE C C 99 172.629 174.495 -1.866 1
1 699 . 4 1 1 A 57 57 PHE CA C 99 60.570 59.779 0.791 1
1 700 . 4 1 1 A 57 57 PHE CB C 99 40.156 39.755 0.401 1
1 706 . 4 1 1 A 57 57 PHE N N 99 122.514 122.981 -0.467 1
1 707 . 4 1 1 A 58 58 LYS H H 100 6.468 8.158 -1.690 1
1 708 . 4 1 1 A 58 58 LYS HA H 100 4.409 4.439 -0.030 1
1 717 . 4 1 1 A 58 58 LYS C C 100 171.564 173.415 -1.851 1
1 718 . 4 1 1 A 58 58 LYS CA C 100 53.643 53.867 -0.224 1
1 719 . 4 1 1 A 58 58 LYS CB C 100 32.382 34.951 -2.569 1
1 723 . 4 1 1 A 58 58 LYS N N 100 125.478 122.978 2.500 1
1 724 . 4 1 1 A 59 59 PRO HA H 101 3.708 4.011 -0.303 1
1 731 . 4 1 1 A 59 59 PRO C C 101 176.868 177.339 -0.471 1
1 732 . 4 1 1 A 59 59 PRO CA C 101 63.881 63.706 0.175 1
1 733 . 4 1 1 A 59 59 PRO CB C 101 31.168 31.244 -0.076 1
1 736 . 4 1 1 A 60 60 GLY H H 102 9.269 8.419 0.850 1
1 737 . 4 1 1 A 60 60 GLY HA2 H 102 4.299 3.818 0.481 1
1 738 . 4 1 1 A 60 60 GLY HA3 H 102 3.502 3.823 -0.321 1
1 739 . 4 1 1 A 60 60 GLY C C 102 174.023 174.414 -0.391 1
1 740 . 4 1 1 A 60 60 GLY CA C 102 45.005 45.061 -0.056 1
1 741 . 4 1 1 A 60 60 GLY N N 102 112.023 112.627 -0.604 1
1 742 . 4 1 1 A 61 61 VAL H H 103 7.321 7.450 -0.129 1
1 743 . 4 1 1 A 61 61 VAL HA H 103 4.279 4.181 0.098 1
1 751 . 4 1 1 A 61 61 VAL C C 103 174.073 175.564 -1.491 1
1 752 . 4 1 1 A 61 61 VAL CA C 103 61.277 61.633 -0.356 1
1 753 . 4 1 1 A 61 61 VAL CB C 103 32.882 32.669 0.213 1
1 756 . 4 1 1 A 61 61 VAL N N 103 118.571 121.993 -3.422 1
1 757 . 4 1 1 A 62 62 GLU H H 104 8.204 8.510 -0.306 1
1 758 . 4 1 1 A 62 62 GLU HA H 104 4.946 4.746 0.200 1
1 763 . 4 1 1 A 62 62 GLU C C 104 176.252 176.628 -0.376 1
1 764 . 4 1 1 A 62 62 GLU CA C 104 55.398 57.034 -1.636 1
1 765 . 4 1 1 A 62 62 GLU CB C 104 30.129 30.418 -0.289 1
1 767 . 4 1 1 A 62 62 GLU N N 104 123.214 126.443 -3.229 1
1 768 . 4 1 1 A 63 63 VAL H H 105 9.066 8.961 0.105 1
1 769 . 4 1 1 A 63 63 VAL HA H 105 5.297 4.889 0.408 1
1 777 . 4 1 1 A 63 63 VAL C C 105 173.913 174.064 -0.151 1
1 778 . 4 1 1 A 63 63 VAL CA C 105 58.284 59.089 -0.805 1
1 779 . 4 1 1 A 63 63 VAL CB C 105 36.265 35.689 0.576 1
1 782 . 4 1 1 A 63 63 VAL N N 105 115.526 118.111 -2.585 1
1 783 . 4 1 1 A 64 64 ILE H H 106 8.542 9.066 -0.524 1
1 784 . 4 1 1 A 64 64 ILE HA H 106 4.775 4.386 0.389 1
1 794 . 4 1 1 A 64 64 ILE C C 106 176.511 175.614 0.897 1
1 795 . 4 1 1 A 64 64 ILE CA C 106 60.804 60.002 0.802 1
1 796 . 4 1 1 A 64 64 ILE CB C 106 40.991 38.789 2.202 1
1 800 . 4 1 1 A 64 64 ILE N N 106 120.283 122.974 -2.691 1
1 801 . 4 1 1 A 65 65 ILE H H 107 8.944 8.531 0.413 1
1 802 . 4 1 1 A 65 65 ILE HA H 107 5.197 4.900 0.297 1
1 812 . 4 1 1 A 65 65 ILE C C 107 174.076 174.644 -0.568 1
1 813 . 4 1 1 A 65 65 ILE CA C 107 58.384 59.437 -1.053 1
1 814 . 4 1 1 A 65 65 ILE CB C 107 42.082 39.082 3.000 1
1 818 . 4 1 1 A 65 65 ILE N N 107 122.157 124.276 -2.119 1
1 819 . 4 1 1 A 66 66 GLU H H 108 7.762 8.516 -0.754 1
1 820 . 4 1 1 A 66 66 GLU HA H 108 5.801 5.579 0.222 1
1 825 . 4 1 1 A 66 66 GLU C C 108 176.789 175.452 1.337 1
1 826 . 4 1 1 A 66 66 GLU CA C 108 54.063 55.557 -1.494 1
1 827 . 4 1 1 A 66 66 GLU CB C 108 32.818 33.556 -0.738 1
1 829 . 4 1 1 A 66 66 GLU N N 108 119.473 123.679 -4.206 1
1 830 . 4 1 1 A 67 67 GLY H H 109 9.064 8.490 0.574 1
1 831 . 4 1 1 A 67 67 GLY HA2 H 109 4.773 4.151 0.622 1
1 832 . 4 1 1 A 67 67 GLY HA3 H 109 3.948 4.257 -0.309 1
1 833 . 4 1 1 A 67 67 GLY C C 109 170.431 172.123 -1.692 1
1 834 . 4 1 1 A 67 67 GLY CA C 109 46.598 46.088 0.510 1
1 835 . 4 1 1 A 67 67 GLY N N 109 112.366 112.297 0.069 1
1 836 . 4 1 1 A 68 68 GLY H H 110 7.116 7.628 -0.512 1
1 837 . 4 1 1 A 68 68 GLY HA2 H 110 3.949 4.111 -0.162 1
1 838 . 4 1 1 A 68 68 GLY HA3 H 110 3.732 4.152 -0.420 1
1 839 . 4 1 1 A 68 68 GLY C C 110 170.827 171.256 -0.429 1
1 840 . 4 1 1 A 68 68 GLY CA C 110 45.228 45.323 -0.095 1
1 841 . 4 1 1 A 68 68 GLY N N 110 109.402 109.573 -0.171 1
1 842 . 4 1 1 A 69 69 LEU H H 111 8.542 8.732 -0.190 1
1 843 . 4 1 1 A 69 69 LEU HA H 111 4.546 4.911 -0.365 1
1 853 . 4 1 1 A 69 69 LEU C C 111 175.890 174.139 1.751 1
1 854 . 4 1 1 A 69 69 LEU CA C 111 54.400 54.120 0.280 1
1 855 . 4 1 1 A 69 69 LEU CB C 111 43.814 46.046 -2.232 1
1 859 . 4 1 1 A 69 69 LEU N N 111 122.808 121.372 1.436 1
1 860 . 4 1 1 A 70 70 ALA H H 112 8.889 8.423 0.466 1
1 861 . 4 1 1 A 70 70 ALA HA H 112 4.639 4.867 -0.228 1
1 865 . 4 1 1 A 70 70 ALA C C 112 174.900 177.269 -2.369 1
1 866 . 4 1 1 A 70 70 ALA CA C 112 49.951 49.593 0.358 1
1 867 . 4 1 1 A 70 70 ALA CB C 112 18.111 20.149 -2.038 1
1 868 . 4 1 1 A 70 70 ALA N N 112 130.675 128.578 2.097 1
1 869 . 4 1 1 A 71 71 PRO HA H 113 4.338 4.369 -0.031 1
1 876 . 4 1 1 A 71 71 PRO C C 113 178.206 177.936 0.270 1
1 877 . 4 1 1 A 71 71 PRO CA C 113 64.055 65.290 -1.235 1
1 878 . 4 1 1 A 71 71 PRO CB C 113 31.754 31.715 0.039 1
1 881 . 4 1 1 A 72 72 GLY H H 114 8.748 8.398 0.350 1
1 882 . 4 1 1 A 72 72 GLY HA2 H 114 4.165 3.925 0.240 1
1 883 . 4 1 1 A 72 72 GLY HA3 H 114 3.775 3.930 -0.155 1
1 884 . 4 1 1 A 72 72 GLY C C 114 174.200 173.769 0.431 1
1 885 . 4 1 1 A 72 72 GLY CA C 114 45.602 45.710 -0.108 1
1 886 . 4 1 1 A 72 72 GLY N N 114 111.945 107.885 4.060 1
1 887 . 4 1 1 A 73 73 GLU H H 115 7.931 7.688 0.243 1
1 888 . 4 1 1 A 73 73 GLU HA H 115 4.581 4.676 -0.095 1
1 893 . 4 1 1 A 73 73 GLU C C 115 175.843 175.142 0.701 1
1 894 . 4 1 1 A 73 73 GLU CA C 115 55.732 55.151 0.581 1
1 895 . 4 1 1 A 73 73 GLU CB C 115 31.128 32.604 -1.476 1
1 897 . 4 1 1 A 73 73 GLU N N 115 118.591 116.773 1.818 1
1 898 . 4 1 1 A 74 74 ASP H H 116 8.467 8.497 -0.030 1
1 899 . 4 1 1 A 74 74 ASP HA H 116 4.823 4.694 0.129 1
1 902 . 4 1 1 A 74 74 ASP C C 116 175.848 176.126 -0.278 1
1 903 . 4 1 1 A 74 74 ASP CA C 116 53.831 56.254 -2.423 1
1 904 . 4 1 1 A 74 74 ASP CB C 116 41.052 42.393 -1.341 1
1 905 . 4 1 1 A 74 74 ASP N N 116 118.021 121.220 -3.199 1
1 906 . 4 1 1 A 75 75 THR H H 117 7.301 7.693 -0.392 1
1 907 . 4 1 1 A 75 75 THR HA H 117 4.620 4.933 -0.313 1
1 912 . 4 1 1 A 75 75 THR C C 117 172.120 173.831 -1.711 1
1 913 . 4 1 1 A 75 75 THR CA C 117 61.907 61.561 0.346 1
1 914 . 4 1 1 A 75 75 THR CB C 117 71.398 69.927 1.471 1
1 916 . 4 1 1 A 75 75 THR N N 117 114.820 115.390 -0.570 1
1 917 . 4 1 1 A 76 76 PHE H H 118 9.657 9.258 0.399 1
1 918 . 4 1 1 A 76 76 PHE HA H 118 4.290 4.674 -0.384 1
1 926 . 4 1 1 A 76 76 PHE C C 118 174.118 174.337 -0.219 1
1 927 . 4 1 1 A 76 76 PHE CA C 118 58.185 57.696 0.489 1
1 928 . 4 1 1 A 76 76 PHE CB C 118 40.718 39.583 1.135 1
1 934 . 4 1 1 A 76 76 PHE N N 118 130.378 129.274 1.104 1
1 935 . 4 1 1 A 77 77 LYS H H 119 8.364 8.220 0.144 1
1 936 . 4 1 1 A 77 77 LYS HA H 119 4.853 4.449 0.404 1
1 945 . 4 1 1 A 77 77 LYS C C 119 175.278 174.655 0.623 1
1 946 . 4 1 1 A 77 77 LYS CA C 119 55.282 55.995 -0.713 1
1 947 . 4 1 1 A 77 77 LYS CB C 119 31.319 32.928 -1.609 1
1 951 . 4 1 1 A 77 77 LYS N N 119 129.777 128.234 1.543 1
1 952 . 4 1 1 A 78 78 ALA H H 120 8.837 8.508 0.329 1
1 953 . 4 1 1 A 78 78 ALA HA H 120 4.828 4.739 0.089 1
1 957 . 4 1 1 A 78 78 ALA C C 120 176.015 178.463 -2.448 1
1 958 . 4 1 1 A 78 78 ALA CA C 120 51.435 52.392 -0.957 1
1 959 . 4 1 1 A 78 78 ALA CB C 120 20.006 19.230 0.776 1
1 960 . 4 1 1 A 78 78 ALA N N 120 129.771 129.693 0.078 1
1 961 . 4 1 1 A 79 79 ARG H H 121 9.846 8.663 1.183 1
1 962 . 4 1 1 A 79 79 ARG HA H 121 4.582 4.166 0.416 1
1 970 . 4 1 1 A 79 79 ARG C C 121 176.651 176.439 0.212 1
1 971 . 4 1 1 A 79 79 ARG CA C 121 57.420 58.358 -0.938 1
1 972 . 4 1 1 A 79 79 ARG CB C 121 31.773 30.157 1.616 1
1 975 . 4 1 1 A 79 79 ARG N N 121 125.113 122.729 2.384 1
1 977 . 4 1 1 A 80 80 THR H H 122 7.938 7.983 -0.045 1
1 978 . 4 1 1 A 80 80 THR HA H 122 4.921 5.231 -0.310 1
1 983 . 4 1 1 A 80 80 THR C C 122 172.002 172.441 -0.439 1
1 984 . 4 1 1 A 80 80 THR CA C 122 60.475 60.266 0.209 1
1 985 . 4 1 1 A 80 80 THR CB C 122 72.093 71.800 0.293 1
1 987 . 4 1 1 A 80 80 THR N N 122 109.595 109.574 0.021 1
1 988 . 4 1 1 A 81 81 LEU H H 123 8.196 8.740 -0.544 1
1 989 . 4 1 1 A 81 81 LEU HA H 123 4.701 4.906 -0.205 1
1 999 . 4 1 1 A 81 81 LEU C C 123 173.804 174.204 -0.400 1
1 1000 . 4 1 1 A 81 81 LEU CA C 123 55.357 53.611 1.746 1
1 1001 . 4 1 1 A 81 81 LEU CB C 123 44.009 44.517 -0.508 1
1 1005 . 4 1 1 A 81 81 LEU N N 123 123.214 123.264 -0.050 1
1 1006 . 4 1 1 A 82 82 MET H H 124 8.700 8.508 0.192 1
1 1007 . 4 1 1 A 82 82 MET HA H 124 4.841 5.154 -0.313 1
1 1015 . 4 1 1 A 82 82 MET C C 124 175.097 175.629 -0.532 1
1 1016 . 4 1 1 A 82 82 MET CA C 124 54.190 54.189 0.001 1
1 1017 . 4 1 1 A 82 82 MET CB C 124 36.191 35.869 0.322 1
1 1020 . 4 1 1 A 82 82 MET N N 124 124.452 125.840 -1.388 1
1 1021 . 4 1 1 A 83 83 THR H H 125 8.671 8.630 0.041 1
1 1022 . 4 1 1 A 83 83 THR HA H 125 4.934 4.772 0.162 1
1 1027 . 4 1 1 A 83 83 THR C C 125 174.094 175.130 -1.036 1
1 1028 . 4 1 1 A 83 83 THR CA C 125 60.253 60.396 -0.143 1
1 1029 . 4 1 1 A 83 83 THR CB C 125 69.831 71.549 -1.718 1
1 1031 . 4 1 1 A 83 83 THR N N 125 113.070 114.212 -1.142 1
1 1032 . 4 1 1 A 84 84 LYS H H 126 8.419 8.765 -0.346 1
1 1033 . 4 1 1 A 84 84 LYS HA H 126 4.446 4.556 -0.110 1
1 1042 . 4 1 1 A 84 84 LYS C C 126 175.461 175.912 -0.451 1
1 1043 . 4 1 1 A 84 84 LYS CA C 126 55.500 56.228 -0.728 1
1 1044 . 4 1 1 A 84 84 LYS CB C 126 33.736 32.839 0.897 1
1 1048 . 4 1 1 A 84 84 LYS N N 126 123.139 119.113 4.026 1
1 1049 . 4 1 1 A 85 85 CYS H H 127 8.543 7.593 0.950 1
1 1050 . 4 1 1 A 85 85 CYS HA H 127 4.795 4.759 0.036 1
1 1053 . 4 1 1 A 85 85 CYS C C 127 172.809 172.982 -0.173 1
1 1054 . 4 1 1 A 85 85 CYS CA C 127 56.423 55.876 0.547 1
1 1055 . 4 1 1 A 85 85 CYS CB C 127 27.739 29.754 -2.015 1
1 1056 . 4 1 1 A 85 85 CYS N N 127 123.709 120.220 3.489 1
1 1057 . 4 1 1 A 86 86 PRO HA H 128 4.439 4.619 -0.180 1
1 1064 . 4 1 1 A 86 86 PRO C C 128 176.560 176.101 0.459 1
1 1065 . 4 1 1 A 86 86 PRO CA C 128 63.292 62.200 1.092 1
1 1066 . 4 1 1 A 86 86 PRO CB C 128 32.165 32.944 -0.779 1
1 1069 . 4 1 1 A 87 87 LEU H H 129 8.274 8.428 -0.154 1
1 1070 . 4 1 1 A 87 87 LEU HA H 129 4.256 4.294 -0.038 1
1 1080 . 4 1 1 A 87 87 LEU C C 129 177.141 177.183 -0.042 1
1 1081 . 4 1 1 A 87 87 LEU CA C 129 55.281 54.615 0.666 1
1 1082 . 4 1 1 A 87 87 LEU CB C 129 42.299 41.266 1.033 1
1 1086 . 4 1 1 A 87 87 LEU N N 129 122.188 121.684 0.504 1
1 1 . 5 1 1 A 2 2 ALA HA H 44 4.214 4.361 -0.147 1
1 5 . 5 1 1 A 2 2 ALA C C 44 173.758 177.641 -3.883 1
1 6 . 5 1 1 A 2 2 ALA CA C 44 51.848 52.049 -0.201 1
1 7 . 5 1 1 A 2 2 ALA CB C 44 19.505 18.662 0.843 1
1 8 . 5 1 1 A 3 3 THR H H 45 8.709 7.410 1.299 1
1 9 . 5 1 1 A 3 3 THR HA H 45 4.694 4.338 0.356 1
1 14 . 5 1 1 A 3 3 THR CA C 45 60.191 60.668 -0.477 1
1 15 . 5 1 1 A 3 3 THR CB C 45 69.815 69.385 0.430 1
1 17 . 5 1 1 A 3 3 THR N N 45 116.649 116.746 -0.097 1
1 18 . 5 1 1 A 4 4 PRO HA H 46 4.412 4.542 -0.130 1
1 25 . 5 1 1 A 4 4 PRO C C 46 177.212 177.006 0.206 1
1 26 . 5 1 1 A 4 4 PRO CA C 46 63.698 62.467 1.231 1
1 27 . 5 1 1 A 4 4 PRO CB C 46 32.117 30.191 1.926 1
1 30 . 5 1 1 A 5 5 GLN H H 47 8.463 8.000 0.463 1
1 31 . 5 1 1 A 5 5 GLN HA H 47 4.260 4.191 0.069 1
1 38 . 5 1 1 A 5 5 GLN C C 47 176.073 175.026 1.047 1
1 39 . 5 1 1 A 5 5 GLN CA C 47 56.328 55.321 1.007 1
1 40 . 5 1 1 A 5 5 GLN CB C 47 29.286 28.088 1.198 1
1 43 . 5 1 1 A 5 5 GLN N N 47 119.945 122.545 -2.600 1
1 45 . 5 1 1 A 6 6 ASP H H 48 8.276 7.988 0.288 1
1 46 . 5 1 1 A 6 6 ASP HA H 48 4.558 4.446 0.112 1
1 49 . 5 1 1 A 6 6 ASP C C 48 176.454 177.551 -1.097 1
1 50 . 5 1 1 A 6 6 ASP CA C 48 54.538 55.743 -1.205 1
1 51 . 5 1 1 A 6 6 ASP CB C 48 40.873 40.363 0.510 1
1 52 . 5 1 1 A 6 6 ASP N N 48 120.974 121.479 -0.505 1
1 53 . 5 1 1 A 7 7 LYS H H 49 8.218 7.701 0.517 1
1 54 . 5 1 1 A 7 7 LYS HA H 49 4.264 3.959 0.305 1
1 63 . 5 1 1 A 7 7 LYS C C 49 176.665 179.074 -2.409 1
1 64 . 5 1 1 A 7 7 LYS CA C 49 56.655 59.597 -2.942 1
1 65 . 5 1 1 A 7 7 LYS CB C 49 32.837 32.359 0.478 1
1 69 . 5 1 1 A 7 7 LYS N N 49 120.950 119.837 1.113 1
1 70 . 5 1 1 A 8 8 LEU H H 50 8.010 7.224 0.786 1
1 71 . 5 1 1 A 8 8 LEU HA H 50 4.279 4.263 0.016 1
1 81 . 5 1 1 A 8 8 LEU C C 50 177.110 177.354 -0.244 1
1 82 . 5 1 1 A 8 8 LEU CA C 50 55.353 55.840 -0.487 1
1 83 . 5 1 1 A 8 8 LEU CB C 50 42.302 42.873 -0.571 1
1 87 . 5 1 1 A 8 8 LEU N N 50 121.105 118.287 2.818 1
1 88 . 5 1 1 A 9 9 HIS H H 51 8.411 7.693 0.718 1
1 89 . 5 1 1 A 9 9 HIS HA H 51 4.780 4.765 0.015 1
1 92 . 5 1 1 A 9 9 HIS C C 51 174.285 174.562 -0.277 1
1 93 . 5 1 1 A 9 9 HIS CA C 51 55.320 55.331 -0.011 1
1 94 . 5 1 1 A 9 9 HIS CB C 51 28.827 30.362 -1.535 1
1 95 . 5 1 1 A 9 9 HIS N N 51 119.035 116.249 2.786 1
1 96 . 5 1 1 A 10 10 THR H H 52 8.178 8.817 -0.639 1
1 97 . 5 1 1 A 10 10 THR HA H 52 4.488 5.448 -0.960 1
1 102 . 5 1 1 A 10 10 THR C C 52 173.766 173.619 0.147 1
1 103 . 5 1 1 A 10 10 THR CA C 52 62.392 60.831 1.561 1
1 104 . 5 1 1 A 10 10 THR CB C 52 70.104 70.320 -0.216 1
1 106 . 5 1 1 A 10 10 THR N N 52 117.285 116.787 0.498 1
1 107 . 5 1 1 A 11 11 VAL H H 53 9.088 9.514 -0.426 1
1 108 . 5 1 1 A 11 11 VAL HA H 53 4.464 4.535 -0.071 1
1 116 . 5 1 1 A 11 11 VAL C C 53 174.048 174.427 -0.379 1
1 117 . 5 1 1 A 11 11 VAL CA C 53 61.359 61.423 -0.064 1
1 118 . 5 1 1 A 11 11 VAL CB C 53 34.602 33.547 1.055 1
1 121 . 5 1 1 A 11 11 VAL N N 53 123.969 127.195 -3.226 1
1 122 . 5 1 1 A 12 12 ARG H H 54 8.386 8.857 -0.471 1
1 123 . 5 1 1 A 12 12 ARG HA H 54 5.495 4.688 0.807 1
1 131 . 5 1 1 A 12 12 ARG C C 54 175.364 174.297 1.067 1
1 132 . 5 1 1 A 12 12 ARG CA C 54 54.401 55.134 -0.733 1
1 133 . 5 1 1 A 12 12 ARG CB C 54 32.753 31.428 1.325 1
1 136 . 5 1 1 A 12 12 ARG N N 54 125.294 128.020 -2.726 1
1 138 . 5 1 1 A 13 13 LEU H H 55 8.828 8.580 0.248 1
1 139 . 5 1 1 A 13 13 LEU HA H 55 4.726 5.060 -0.334 1
1 149 . 5 1 1 A 13 13 LEU C C 55 174.223 173.819 0.404 1
1 150 . 5 1 1 A 13 13 LEU CA C 55 53.309 52.689 0.620 1
1 151 . 5 1 1 A 13 13 LEU CB C 55 45.884 45.196 0.688 1
1 155 . 5 1 1 A 13 13 LEU N N 55 124.874 128.327 -3.453 1
1 156 . 5 1 1 A 14 14 PHE H H 56 8.195 8.961 -0.766 1
1 157 . 5 1 1 A 14 14 PHE HA H 56 5.576 5.479 0.097 1
1 165 . 5 1 1 A 14 14 PHE C C 56 175.266 175.810 -0.544 1
1 166 . 5 1 1 A 14 14 PHE CA C 56 55.009 55.603 -0.594 1
1 167 . 5 1 1 A 14 14 PHE CB C 56 42.340 42.343 -0.003 1
1 173 . 5 1 1 A 14 14 PHE N N 56 118.334 124.763 -6.429 1
1 174 . 5 1 1 A 15 15 GLY H H 57 8.134 8.118 0.016 1
1 175 . 5 1 1 A 15 15 GLY HA2 H 57 4.229 4.264 -0.035 1
1 176 . 5 1 1 A 15 15 GLY HA3 H 57 4.004 4.276 -0.272 1
1 177 . 5 1 1 A 15 15 GLY C C 57 171.108 171.616 -0.508 1
1 178 . 5 1 1 A 15 15 GLY CA C 57 45.857 46.198 -0.341 1
1 179 . 5 1 1 A 15 15 GLY N N 57 109.159 109.463 -0.304 1
1 180 . 5 1 1 A 16 16 THR H H 58 8.595 8.614 -0.019 1
1 181 . 5 1 1 A 16 16 THR HA H 58 5.114 4.950 0.164 1
1 186 . 5 1 1 A 16 16 THR C C 58 174.484 173.626 0.858 1
1 187 . 5 1 1 A 16 16 THR CA C 58 60.591 61.482 -0.891 1
1 188 . 5 1 1 A 16 16 THR CB C 58 71.164 71.923 -0.759 1
1 190 . 5 1 1 A 16 16 THR N N 58 113.580 115.332 -1.752 1
1 191 . 5 1 1 A 17 17 VAL H H 59 8.053 8.713 -0.660 1
1 192 . 5 1 1 A 17 17 VAL HA H 59 3.876 4.254 -0.378 1
1 200 . 5 1 1 A 17 17 VAL C C 59 176.315 175.608 0.707 1
1 201 . 5 1 1 A 17 17 VAL CA C 59 63.549 63.010 0.539 1
1 202 . 5 1 1 A 17 17 VAL CB C 59 32.779 31.550 1.229 1
1 205 . 5 1 1 A 17 17 VAL N N 59 124.410 127.099 -2.689 1
1 206 . 5 1 1 A 18 18 ALA H H 60 8.931 8.185 0.746 1
1 207 . 5 1 1 A 18 18 ALA HA H 60 4.354 4.635 -0.281 1
1 211 . 5 1 1 A 18 18 ALA C C 60 177.293 177.610 -0.317 1
1 212 . 5 1 1 A 18 18 ALA CA C 60 52.138 50.664 1.474 1
1 213 . 5 1 1 A 18 18 ALA CB C 60 19.782 20.625 -0.843 1
1 214 . 5 1 1 A 18 18 ALA N N 60 133.912 129.872 4.040 1
1 215 . 5 1 1 A 19 19 ALA H H 61 8.548 8.717 -0.169 1
1 216 . 5 1 1 A 19 19 ALA HA H 61 4.105 4.166 -0.061 1
1 220 . 5 1 1 A 19 19 ALA C C 61 178.793 177.835 0.958 1
1 221 . 5 1 1 A 19 19 ALA CA C 61 54.218 54.441 -0.223 1
1 222 . 5 1 1 A 19 19 ALA CB C 61 18.969 18.915 0.054 1
1 223 . 5 1 1 A 19 19 ALA N N 61 121.667 121.559 0.108 1
1 224 . 5 1 1 A 20 20 ASP H H 62 8.117 8.017 0.100 1
1 225 . 5 1 1 A 20 20 ASP HA H 62 4.602 4.806 -0.204 1
1 228 . 5 1 1 A 20 20 ASP C C 62 177.210 176.924 0.286 1
1 229 . 5 1 1 A 20 20 ASP CA C 62 54.575 53.986 0.589 1
1 230 . 5 1 1 A 20 20 ASP CB C 62 41.188 39.071 2.117 1
1 231 . 5 1 1 A 20 20 ASP N N 62 115.534 116.698 -1.164 1
1 232 . 5 1 1 A 21 21 GLY H H 63 8.996 8.209 0.787 1
1 233 . 5 1 1 A 21 21 GLY HA2 H 63 4.311 4.238 0.073 1
1 234 . 5 1 1 A 21 21 GLY HA3 H 63 3.888 4.343 -0.455 1
1 235 . 5 1 1 A 21 21 GLY C C 63 173.384 174.687 -1.303 1
1 236 . 5 1 1 A 21 21 GLY CA C 63 46.124 45.166 0.958 1
1 237 . 5 1 1 A 21 21 GLY N N 63 112.754 112.737 0.017 1
1 238 . 5 1 1 A 22 22 LEU H H 64 7.380 7.685 -0.305 1
1 239 . 5 1 1 A 22 22 LEU HA H 64 4.964 4.900 0.064 1
1 249 . 5 1 1 A 22 22 LEU C C 64 178.011 174.855 3.156 1
1 250 . 5 1 1 A 22 22 LEU CA C 64 57.159 54.375 2.784 1
1 251 . 5 1 1 A 22 22 LEU CB C 64 42.160 41.772 0.388 1
1 255 . 5 1 1 A 22 22 LEU N N 64 123.991 123.174 0.817 1
1 256 . 5 1 1 A 23 23 THR H H 65 9.752 9.144 0.608 1
1 257 . 5 1 1 A 23 23 THR HA H 65 4.755 5.014 -0.259 1
1 262 . 5 1 1 A 23 23 THR C C 65 173.249 174.160 -0.911 1
1 263 . 5 1 1 A 23 23 THR CA C 65 61.231 62.008 -0.777 1
1 264 . 5 1 1 A 23 23 THR CB C 65 71.995 69.659 2.336 1
1 266 . 5 1 1 A 23 23 THR N N 65 124.024 123.396 0.628 1
1 267 . 5 1 1 A 24 24 MET H H 66 8.881 8.465 0.416 1
1 268 . 5 1 1 A 24 24 MET HA H 66 5.019 4.873 0.146 1
1 276 . 5 1 1 A 24 24 MET C C 66 176.750 175.959 0.791 1
1 277 . 5 1 1 A 24 24 MET CA C 66 54.452 53.750 0.702 1
1 278 . 5 1 1 A 24 24 MET CB C 66 31.809 32.282 -0.473 1
1 281 . 5 1 1 A 24 24 MET N N 66 125.215 126.481 -1.266 1
1 282 . 5 1 1 A 25 25 LEU H H 67 8.037 8.190 -0.153 1
1 283 . 5 1 1 A 25 25 LEU HA H 67 4.253 4.193 0.060 1
1 293 . 5 1 1 A 25 25 LEU C C 67 176.617 176.350 0.267 1
1 294 . 5 1 1 A 25 25 LEU CA C 67 55.259 55.790 -0.531 1
1 295 . 5 1 1 A 25 25 LEU CB C 67 41.019 41.762 -0.743 1
1 299 . 5 1 1 A 25 25 LEU N N 67 123.282 125.226 -1.944 1
1 300 . 5 1 1 A 26 26 ASP H H 68 8.419 8.943 -0.524 1
1 301 . 5 1 1 A 26 26 ASP HA H 68 4.695 4.309 0.386 1
1 304 . 5 1 1 A 26 26 ASP C C 68 176.728 177.166 -0.438 1
1 305 . 5 1 1 A 26 26 ASP CA C 68 53.907 55.724 -1.817 1
1 306 . 5 1 1 A 26 26 ASP CB C 68 41.338 39.940 1.398 1
1 307 . 5 1 1 A 26 26 ASP N N 68 120.434 125.636 -5.202 1
1 308 . 5 1 1 A 27 27 GLY H H 69 8.607 8.953 -0.346 1
1 309 . 5 1 1 A 27 27 GLY HA2 H 69 4.055 4.000 0.055 1
1 310 . 5 1 1 A 27 27 GLY HA3 H 69 3.665 4.001 -0.336 1
1 311 . 5 1 1 A 27 27 GLY C C 69 173.151 174.146 -0.995 1
1 312 . 5 1 1 A 27 27 GLY CA C 69 45.895 45.217 0.678 1
1 313 . 5 1 1 A 27 27 GLY N N 69 112.545 112.276 0.269 1
1 314 . 5 1 1 A 28 28 ALA H H 70 7.634 7.813 -0.179 1
1 315 . 5 1 1 A 28 28 ALA HA H 70 4.575 4.468 0.107 1
1 319 . 5 1 1 A 28 28 ALA C C 70 174.090 176.135 -2.045 1
1 320 . 5 1 1 A 28 28 ALA CA C 70 50.137 50.672 -0.535 1
1 321 . 5 1 1 A 28 28 ALA CB C 70 19.221 19.274 -0.053 1
1 322 . 5 1 1 A 28 28 ALA N N 70 125.545 124.871 0.674 1
1 323 . 5 1 1 A 29 29 PRO HA H 71 4.462 4.564 -0.102 1
1 330 . 5 1 1 A 29 29 PRO C C 71 176.671 175.916 0.755 1
1 331 . 5 1 1 A 29 29 PRO CA C 71 63.021 63.560 -0.539 1
1 332 . 5 1 1 A 29 29 PRO CB C 71 32.015 31.438 0.577 1
1 335 . 5 1 1 A 30 30 GLY H H 72 7.988 8.049 -0.061 1
1 336 . 5 1 1 A 30 30 GLY HA2 H 72 5.001 4.026 0.975 1
1 337 . 5 1 1 A 30 30 GLY HA3 H 72 3.991 4.057 -0.066 1
1 338 . 5 1 1 A 30 30 GLY C C 72 172.906 171.180 1.726 1
1 339 . 5 1 1 A 30 30 GLY CA C 72 45.642 44.820 0.822 1
1 340 . 5 1 1 A 30 30 GLY N N 72 109.355 110.312 -0.957 1
1 341 . 5 1 1 A 31 31 VAL H H 73 9.332 8.550 0.782 1
1 342 . 5 1 1 A 31 31 VAL HA H 73 5.194 4.846 0.348 1
1 350 . 5 1 1 A 31 31 VAL C C 73 171.443 173.582 -2.139 1
1 351 . 5 1 1 A 31 31 VAL CA C 73 60.233 59.938 0.295 1
1 352 . 5 1 1 A 31 31 VAL CB C 73 35.471 35.074 0.397 1
1 355 . 5 1 1 A 31 31 VAL N N 73 116.539 118.945 -2.406 1
1 356 . 5 1 1 A 32 32 ARG H H 74 8.956 9.168 -0.212 1
1 357 . 5 1 1 A 32 32 ARG HA H 74 5.999 5.386 0.613 1
1 365 . 5 1 1 A 32 32 ARG C C 74 174.581 175.456 -0.875 1
1 366 . 5 1 1 A 32 32 ARG CA C 74 54.187 55.181 -0.994 1
1 367 . 5 1 1 A 32 32 ARG CB C 74 33.463 31.774 1.689 1
1 370 . 5 1 1 A 32 32 ARG N N 74 127.557 129.553 -1.996 1
1 372 . 5 1 1 A 33 33 PHE H H 75 9.262 8.741 0.521 1
1 373 . 5 1 1 A 33 33 PHE HA H 75 5.461 5.583 -0.122 1
1 381 . 5 1 1 A 33 33 PHE C C 75 171.210 172.757 -1.547 1
1 382 . 5 1 1 A 33 33 PHE CA C 75 55.947 56.120 -0.173 1
1 383 . 5 1 1 A 33 33 PHE CB C 75 41.151 41.203 -0.052 1
1 389 . 5 1 1 A 33 33 PHE N N 75 120.514 120.900 -0.386 1
1 390 . 5 1 1 A 34 34 ARG H H 76 9.921 8.684 1.237 1
1 391 . 5 1 1 A 34 34 ARG HA H 76 4.368 4.457 -0.089 1
1 399 . 5 1 1 A 34 34 ARG C C 76 173.994 174.476 -0.482 1
1 400 . 5 1 1 A 34 34 ARG CA C 76 54.594 54.435 0.159 1
1 401 . 5 1 1 A 34 34 ARG CB C 76 31.539 30.936 0.603 1
1 404 . 5 1 1 A 34 34 ARG N N 76 122.011 118.821 3.190 1
1 406 . 5 1 1 A 35 35 LEU H H 77 8.781 8.687 0.094 1
1 407 . 5 1 1 A 35 35 LEU HA H 77 4.755 4.861 -0.106 1
1 417 . 5 1 1 A 35 35 LEU C C 77 176.305 174.945 1.360 1
1 418 . 5 1 1 A 35 35 LEU CA C 77 53.188 54.386 -1.198 1
1 419 . 5 1 1 A 35 35 LEU CB C 77 44.689 42.870 1.819 1
1 423 . 5 1 1 A 35 35 LEU N N 77 127.038 126.417 0.621 1
1 424 . 5 1 1 A 36 36 GLU H H 78 9.342 8.647 0.695 1
1 425 . 5 1 1 A 36 36 GLU HA H 78 4.531 4.505 0.026 1
1 430 . 5 1 1 A 36 36 GLU C C 78 175.380 175.887 -0.507 1
1 431 . 5 1 1 A 36 36 GLU CA C 78 54.829 56.224 -1.395 1
1 432 . 5 1 1 A 36 36 GLU CB C 78 29.842 29.894 -0.052 1
1 434 . 5 1 1 A 36 36 GLU N N 78 126.891 127.023 -0.132 1
1 435 . 5 1 1 A 37 37 ASP H H 79 8.418 8.565 -0.147 1
1 436 . 5 1 1 A 37 37 ASP HA H 79 4.630 4.474 0.156 1
1 439 . 5 1 1 A 37 37 ASP C C 79 176.623 177.674 -1.051 1
1 440 . 5 1 1 A 37 37 ASP CA C 79 53.996 54.752 -0.756 1
1 441 . 5 1 1 A 37 37 ASP CB C 79 41.401 42.643 -1.242 1
1 442 . 5 1 1 A 37 37 ASP N N 79 125.084 126.524 -1.440 1
1 443 . 5 1 1 A 38 38 LYS H H 80 8.691 8.946 -0.255 1
1 444 . 5 1 1 A 38 38 LYS HA H 80 4.064 4.106 -0.042 1
1 453 . 5 1 1 A 38 38 LYS C C 80 176.779 177.413 -0.634 1
1 454 . 5 1 1 A 38 38 LYS CA C 80 57.994 58.805 -0.811 1
1 455 . 5 1 1 A 38 38 LYS CB C 80 32.404 32.116 0.288 1
1 459 . 5 1 1 A 38 38 LYS N N 80 124.179 126.324 -2.145 1
1 460 . 5 1 1 A 39 39 ASP H H 81 8.355 7.822 0.533 1
1 461 . 5 1 1 A 39 39 ASP HA H 81 4.591 4.637 -0.046 1
1 464 . 5 1 1 A 39 39 ASP C C 81 175.682 175.680 0.002 1
1 465 . 5 1 1 A 39 39 ASP CA C 81 54.888 55.840 -0.952 1
1 466 . 5 1 1 A 39 39 ASP CB C 81 41.040 42.229 -1.189 1
1 467 . 5 1 1 A 39 39 ASP N N 81 117.392 119.957 -2.565 1
1 468 . 5 1 1 A 40 40 ASN H H 82 7.954 7.821 0.133 1
1 469 . 5 1 1 A 40 40 ASN HA H 82 4.785 5.094 -0.309 1
1 474 . 5 1 1 A 40 40 ASN C C 82 175.435 174.561 0.874 1
1 475 . 5 1 1 A 40 40 ASN CA C 82 53.032 51.835 1.197 1
1 476 . 5 1 1 A 40 40 ASN CB C 82 38.471 41.680 -3.209 1
1 478 . 5 1 1 A 40 40 ASN N N 82 117.785 116.677 1.108 1
1 480 . 5 1 1 A 41 41 THR H H 83 8.518 8.513 0.005 1
1 481 . 5 1 1 A 41 41 THR HA H 83 4.243 4.492 -0.249 1
1 486 . 5 1 1 A 41 41 THR C C 83 175.191 175.751 -0.560 1
1 487 . 5 1 1 A 41 41 THR CA C 83 63.584 62.437 1.147 1
1 488 . 5 1 1 A 41 41 THR CB C 83 69.267 70.719 -1.452 1
1 490 . 5 1 1 A 41 41 THR N N 83 114.265 121.062 -6.797 1
1 491 . 5 1 1 A 42 42 SER H H 84 8.179 7.945 0.234 1
1 492 . 5 1 1 A 42 42 SER HA H 84 4.439 4.415 0.024 1
1 495 . 5 1 1 A 42 42 SER C C 84 174.269 174.962 -0.693 1
1 496 . 5 1 1 A 42 42 SER CA C 84 59.222 61.637 -2.415 1
1 497 . 5 1 1 A 42 42 SER CB C 84 63.627 63.080 0.547 1
1 498 . 5 1 1 A 42 42 SER N N 84 115.576 115.001 0.575 1
1 499 . 5 1 1 A 43 43 LYS H H 85 7.911 7.710 0.201 1
1 500 . 5 1 1 A 43 43 LYS HA H 85 4.460 4.962 -0.502 1
1 509 . 5 1 1 A 43 43 LYS C C 85 175.440 174.864 0.576 1
1 510 . 5 1 1 A 43 43 LYS CA C 85 55.961 55.313 0.648 1
1 511 . 5 1 1 A 43 43 LYS CB C 85 33.032 35.181 -2.149 1
1 515 . 5 1 1 A 43 43 LYS N N 85 123.691 120.395 3.296 1
1 516 . 5 1 1 A 44 44 THR H H 86 8.165 8.886 -0.721 1
1 517 . 5 1 1 A 44 44 THR HA H 86 4.904 4.761 0.143 1
1 522 . 5 1 1 A 44 44 THR C C 86 173.685 174.237 -0.552 1
1 523 . 5 1 1 A 44 44 THR CA C 86 60.794 60.444 0.350 1
1 524 . 5 1 1 A 44 44 THR CB C 86 71.046 70.177 0.869 1
1 526 . 5 1 1 A 44 44 THR N N 86 117.392 117.810 -0.418 1
1 527 . 5 1 1 A 45 45 VAL H H 87 8.155 8.343 -0.188 1
1 528 . 5 1 1 A 45 45 VAL HA H 87 4.402 4.426 -0.024 1
1 536 . 5 1 1 A 45 45 VAL C C 87 174.343 175.465 -1.122 1
1 537 . 5 1 1 A 45 45 VAL CA C 87 60.551 61.232 -0.681 1
1 538 . 5 1 1 A 45 45 VAL CB C 87 35.225 32.533 2.692 1
1 541 . 5 1 1 A 45 45 VAL N N 87 123.105 120.978 2.127 1
1 542 . 5 1 1 A 46 46 TRP H H 88 8.574 8.898 -0.324 1
1 543 . 5 1 1 A 46 46 TRP HA H 88 4.789 4.948 -0.159 1
1 552 . 5 1 1 A 46 46 TRP C C 88 175.287 176.422 -1.135 1
1 553 . 5 1 1 A 46 46 TRP CA C 88 57.716 56.994 0.722 1
1 554 . 5 1 1 A 46 46 TRP CB C 88 30.822 30.861 -0.039 1
1 560 . 5 1 1 A 46 46 TRP N N 88 126.326 128.568 -2.242 1
1 562 . 5 1 1 A 47 47 VAL H H 89 9.550 8.828 0.722 1
1 563 . 5 1 1 A 47 47 VAL HA H 89 4.884 5.034 -0.150 1
1 571 . 5 1 1 A 47 47 VAL C C 89 173.675 174.245 -0.570 1
1 572 . 5 1 1 A 47 47 VAL CA C 89 60.713 61.177 -0.464 1
1 573 . 5 1 1 A 47 47 VAL CB C 89 33.847 32.801 1.046 1
1 576 . 5 1 1 A 47 47 VAL N N 89 123.380 123.356 0.024 1
1 577 . 5 1 1 A 48 48 LEU H H 90 8.757 9.078 -0.321 1
1 578 . 5 1 1 A 48 48 LEU HA H 90 5.181 4.961 0.220 1
1 588 . 5 1 1 A 48 48 LEU C C 90 175.118 174.985 0.133 1
1 589 . 5 1 1 A 48 48 LEU CA C 90 53.567 53.635 -0.068 1
1 590 . 5 1 1 A 48 48 LEU CB C 90 45.758 43.050 2.708 1
1 594 . 5 1 1 A 48 48 LEU N N 90 125.653 130.204 -4.551 1
1 595 . 5 1 1 A 49 49 TYR H H 91 9.355 9.088 0.267 1
1 596 . 5 1 1 A 49 49 TYR HA H 91 5.196 4.989 0.207 1
1 603 . 5 1 1 A 49 49 TYR C C 91 172.437 174.264 -1.827 1
1 604 . 5 1 1 A 49 49 TYR CA C 91 56.490 57.049 -0.559 1
1 605 . 5 1 1 A 49 49 TYR CB C 91 41.602 39.586 2.016 1
1 610 . 5 1 1 A 49 49 TYR N N 91 129.351 128.796 0.555 1
1 611 . 5 1 1 A 50 50 LYS H H 92 7.805 8.050 -0.245 1
1 612 . 5 1 1 A 50 50 LYS HA H 92 4.450 4.891 -0.441 1
1 621 . 5 1 1 A 50 50 LYS C C 92 173.949 175.545 -1.596 1
1 622 . 5 1 1 A 50 50 LYS CA C 92 55.264 54.551 0.713 1
1 623 . 5 1 1 A 50 50 LYS CB C 92 32.484 34.133 -1.649 1
1 627 . 5 1 1 A 50 50 LYS N N 92 127.571 126.559 1.012 1
1 628 . 5 1 1 A 51 51 GLY H H 93 7.147 7.980 -0.833 1
1 629 . 5 1 1 A 51 51 GLY HA2 H 93 3.810 3.870 -0.060 1
1 630 . 5 1 1 A 51 51 GLY HA3 H 93 3.609 4.005 -0.396 1
1 631 . 5 1 1 A 51 51 GLY C C 93 170.582 172.118 -1.536 1
1 632 . 5 1 1 A 51 51 GLY CA C 93 43.645 43.897 -0.252 1
1 633 . 5 1 1 A 51 51 GLY N N 93 111.723 109.550 2.173 1
1 634 . 5 1 1 A 52 52 ALA H H 94 8.185 8.181 0.004 1
1 635 . 5 1 1 A 52 52 ALA HA H 94 4.273 4.418 -0.145 1
1 639 . 5 1 1 A 52 52 ALA C C 94 178.775 177.309 1.466 1
1 640 . 5 1 1 A 52 52 ALA CA C 94 52.381 52.142 0.239 1
1 641 . 5 1 1 A 52 52 ALA CB C 94 18.392 18.887 -0.495 1
1 642 . 5 1 1 A 52 52 ALA N N 94 119.165 122.858 -3.693 1
1 643 . 5 1 1 A 53 53 VAL H H 95 8.967 8.680 0.287 1
1 644 . 5 1 1 A 53 53 VAL HA H 95 4.200 4.545 -0.345 1
1 652 . 5 1 1 A 53 53 VAL C C 95 174.416 174.561 -0.145 1
1 653 . 5 1 1 A 53 53 VAL CA C 95 60.028 60.556 -0.528 1
1 654 . 5 1 1 A 53 53 VAL CB C 95 32.712 32.171 0.541 1
1 657 . 5 1 1 A 53 53 VAL N N 95 127.597 124.456 3.141 1
1 658 . 5 1 1 A 54 54 PRO HA H 96 4.609 4.611 -0.002 1
1 665 . 5 1 1 A 54 54 PRO C C 96 177.752 177.211 0.541 1
1 666 . 5 1 1 A 54 54 PRO CA C 96 62.907 62.863 0.044 1
1 667 . 5 1 1 A 54 54 PRO CB C 96 32.850 32.853 -0.003 1
1 670 . 5 1 1 A 55 55 ASP H H 97 9.047 8.758 0.289 1
1 671 . 5 1 1 A 55 55 ASP HA H 97 4.459 4.339 0.120 1
1 674 . 5 1 1 A 55 55 ASP C C 97 176.541 177.668 -1.127 1
1 675 . 5 1 1 A 55 55 ASP CA C 97 56.434 56.343 0.091 1
1 676 . 5 1 1 A 55 55 ASP CB C 97 39.845 40.019 -0.174 1
1 677 . 5 1 1 A 55 55 ASP N N 97 122.223 123.048 -0.825 1
1 678 . 5 1 1 A 56 56 THR H H 98 7.196 7.639 -0.443 1
1 679 . 5 1 1 A 56 56 THR HA H 98 4.105 4.259 -0.154 1
1 684 . 5 1 1 A 56 56 THR C C 98 174.743 175.108 -0.365 1
1 685 . 5 1 1 A 56 56 THR CA C 98 60.857 64.382 -3.525 1
1 686 . 5 1 1 A 56 56 THR CB C 98 69.227 68.885 0.342 1
1 688 . 5 1 1 A 56 56 THR N N 98 105.196 110.559 -5.363 1
1 689 . 5 1 1 A 57 57 PHE H H 99 7.766 7.406 0.360 1
1 690 . 5 1 1 A 57 57 PHE HA H 99 3.752 4.442 -0.690 1
1 698 . 5 1 1 A 57 57 PHE C C 99 172.629 174.451 -1.822 1
1 699 . 5 1 1 A 57 57 PHE CA C 99 60.570 57.922 2.648 1
1 700 . 5 1 1 A 57 57 PHE CB C 99 40.156 38.735 1.421 1
1 706 . 5 1 1 A 57 57 PHE N N 99 122.514 124.110 -1.596 1
1 707 . 5 1 1 A 58 58 LYS H H 100 6.468 8.196 -1.728 1
1 708 . 5 1 1 A 58 58 LYS HA H 100 4.409 4.587 -0.178 1
1 717 . 5 1 1 A 58 58 LYS C C 100 171.564 173.755 -2.191 1
1 718 . 5 1 1 A 58 58 LYS CA C 100 53.643 52.845 0.798 1
1 719 . 5 1 1 A 58 58 LYS CB C 100 32.382 33.955 -1.573 1
1 723 . 5 1 1 A 58 58 LYS N N 100 125.478 126.664 -1.186 1
1 724 . 5 1 1 A 59 59 PRO HA H 101 3.708 4.053 -0.345 1
1 731 . 5 1 1 A 59 59 PRO C C 101 176.868 177.396 -0.528 1
1 732 . 5 1 1 A 59 59 PRO CA C 101 63.881 63.596 0.285 1
1 733 . 5 1 1 A 59 59 PRO CB C 101 31.168 31.170 -0.002 1
1 736 . 5 1 1 A 60 60 GLY H H 102 9.269 8.547 0.722 1
1 737 . 5 1 1 A 60 60 GLY HA2 H 102 4.299 3.841 0.458 1
1 738 . 5 1 1 A 60 60 GLY HA3 H 102 3.502 3.843 -0.341 1
1 739 . 5 1 1 A 60 60 GLY C C 102 174.023 174.546 -0.523 1
1 740 . 5 1 1 A 60 60 GLY CA C 102 45.005 45.076 -0.071 1
1 741 . 5 1 1 A 60 60 GLY N N 102 112.023 112.722 -0.699 1
1 742 . 5 1 1 A 61 61 VAL H H 103 7.321 7.608 -0.287 1
1 743 . 5 1 1 A 61 61 VAL HA H 103 4.279 4.135 0.144 1
1 751 . 5 1 1 A 61 61 VAL C C 103 174.073 175.726 -1.653 1
1 752 . 5 1 1 A 61 61 VAL CA C 103 61.277 61.803 -0.526 1
1 753 . 5 1 1 A 61 61 VAL CB C 103 32.882 32.239 0.643 1
1 756 . 5 1 1 A 61 61 VAL N N 103 118.571 122.255 -3.684 1
1 757 . 5 1 1 A 62 62 GLU H H 104 8.204 8.570 -0.366 1
1 758 . 5 1 1 A 62 62 GLU HA H 104 4.946 4.443 0.503 1
1 763 . 5 1 1 A 62 62 GLU C C 104 176.252 176.704 -0.452 1
1 764 . 5 1 1 A 62 62 GLU CA C 104 55.398 56.630 -1.232 1
1 765 . 5 1 1 A 62 62 GLU CB C 104 30.129 30.180 -0.051 1
1 767 . 5 1 1 A 62 62 GLU N N 104 123.214 127.028 -3.814 1
1 768 . 5 1 1 A 63 63 VAL H H 105 9.066 8.753 0.313 1
1 769 . 5 1 1 A 63 63 VAL HA H 105 5.297 4.883 0.414 1
1 777 . 5 1 1 A 63 63 VAL C C 105 173.913 174.291 -0.378 1
1 778 . 5 1 1 A 63 63 VAL CA C 105 58.284 59.103 -0.819 1
1 779 . 5 1 1 A 63 63 VAL CB C 105 36.265 35.655 0.610 1
1 782 . 5 1 1 A 63 63 VAL N N 105 115.526 118.321 -2.795 1
1 783 . 5 1 1 A 64 64 ILE H H 106 8.542 9.090 -0.548 1
1 784 . 5 1 1 A 64 64 ILE HA H 106 4.775 4.554 0.221 1
1 794 . 5 1 1 A 64 64 ILE C C 106 176.511 175.811 0.700 1
1 795 . 5 1 1 A 64 64 ILE CA C 106 60.804 60.101 0.703 1
1 796 . 5 1 1 A 64 64 ILE CB C 106 40.991 39.272 1.719 1
1 800 . 5 1 1 A 64 64 ILE N N 106 120.283 123.176 -2.893 1
1 801 . 5 1 1 A 65 65 ILE H H 107 8.944 8.563 0.381 1
1 802 . 5 1 1 A 65 65 ILE HA H 107 5.197 4.942 0.255 1
1 812 . 5 1 1 A 65 65 ILE C C 107 174.076 174.937 -0.861 1
1 813 . 5 1 1 A 65 65 ILE CA C 107 58.384 59.295 -0.911 1
1 814 . 5 1 1 A 65 65 ILE CB C 107 42.082 39.707 2.375 1
1 818 . 5 1 1 A 65 65 ILE N N 107 122.157 123.782 -1.625 1
1 819 . 5 1 1 A 66 66 GLU H H 108 7.762 8.709 -0.947 1
1 820 . 5 1 1 A 66 66 GLU HA H 108 5.801 5.696 0.105 1
1 825 . 5 1 1 A 66 66 GLU C C 108 176.789 175.520 1.269 1
1 826 . 5 1 1 A 66 66 GLU CA C 108 54.063 55.579 -1.516 1
1 827 . 5 1 1 A 66 66 GLU CB C 108 32.818 33.315 -0.497 1
1 829 . 5 1 1 A 66 66 GLU N N 108 119.473 122.791 -3.318 1
1 830 . 5 1 1 A 67 67 GLY H H 109 9.064 8.285 0.779 1
1 831 . 5 1 1 A 67 67 GLY HA2 H 109 4.773 4.171 0.602 1
1 832 . 5 1 1 A 67 67 GLY HA3 H 109 3.948 4.260 -0.312 1
1 833 . 5 1 1 A 67 67 GLY C C 109 170.431 171.885 -1.454 1
1 834 . 5 1 1 A 67 67 GLY CA C 109 46.598 45.815 0.783 1
1 835 . 5 1 1 A 67 67 GLY N N 109 112.366 111.761 0.605 1
1 836 . 5 1 1 A 68 68 GLY H H 110 7.116 8.199 -1.083 1
1 837 . 5 1 1 A 68 68 GLY HA2 H 110 3.949 4.160 -0.211 1
1 838 . 5 1 1 A 68 68 GLY HA3 H 110 3.732 4.164 -0.432 1
1 839 . 5 1 1 A 68 68 GLY C C 110 170.827 171.448 -0.621 1
1 840 . 5 1 1 A 68 68 GLY CA C 110 45.228 44.357 0.871 1
1 841 . 5 1 1 A 68 68 GLY N N 110 109.402 109.666 -0.264 1
1 842 . 5 1 1 A 69 69 LEU H H 111 8.542 8.752 -0.210 1
1 843 . 5 1 1 A 69 69 LEU HA H 111 4.546 4.994 -0.448 1
1 853 . 5 1 1 A 69 69 LEU C C 111 175.890 175.097 0.793 1
1 854 . 5 1 1 A 69 69 LEU CA C 111 54.400 53.495 0.905 1
1 855 . 5 1 1 A 69 69 LEU CB C 111 43.814 45.260 -1.446 1
1 859 . 5 1 1 A 69 69 LEU N N 111 122.808 124.765 -1.957 1
1 860 . 5 1 1 A 70 70 ALA H H 112 8.889 8.557 0.332 1
1 861 . 5 1 1 A 70 70 ALA HA H 112 4.639 4.553 0.086 1
1 865 . 5 1 1 A 70 70 ALA C C 112 174.900 177.585 -2.685 1
1 866 . 5 1 1 A 70 70 ALA CA C 112 49.951 50.521 -0.570 1
1 867 . 5 1 1 A 70 70 ALA CB C 112 18.111 18.742 -0.631 1
1 868 . 5 1 1 A 70 70 ALA N N 112 130.675 128.874 1.801 1
1 869 . 5 1 1 A 71 71 PRO HA H 113 4.338 4.316 0.022 1
1 876 . 5 1 1 A 71 71 PRO C C 113 178.206 178.097 0.109 1
1 877 . 5 1 1 A 71 71 PRO CA C 113 64.055 65.035 -0.980 1
1 878 . 5 1 1 A 71 71 PRO CB C 113 31.754 31.808 -0.054 1
1 881 . 5 1 1 A 72 72 GLY H H 114 8.748 8.560 0.188 1
1 882 . 5 1 1 A 72 72 GLY HA2 H 114 4.165 3.964 0.201 1
1 883 . 5 1 1 A 72 72 GLY HA3 H 114 3.775 3.969 -0.194 1
1 884 . 5 1 1 A 72 72 GLY C C 114 174.200 173.745 0.455 1
1 885 . 5 1 1 A 72 72 GLY CA C 114 45.602 45.783 -0.181 1
1 886 . 5 1 1 A 72 72 GLY N N 114 111.945 107.879 4.066 1
1 887 . 5 1 1 A 73 73 GLU H H 115 7.931 7.665 0.266 1
1 888 . 5 1 1 A 73 73 GLU HA H 115 4.581 4.580 0.001 1
1 893 . 5 1 1 A 73 73 GLU C C 115 175.843 176.090 -0.247 1
1 894 . 5 1 1 A 73 73 GLU CA C 115 55.732 54.918 0.814 1
1 895 . 5 1 1 A 73 73 GLU CB C 115 31.128 31.903 -0.775 1
1 897 . 5 1 1 A 73 73 GLU N N 115 118.591 121.373 -2.782 1
1 898 . 5 1 1 A 74 74 ASP H H 116 8.467 8.854 -0.387 1
1 899 . 5 1 1 A 74 74 ASP HA H 116 4.823 4.588 0.235 1
1 902 . 5 1 1 A 74 74 ASP C C 116 175.848 176.010 -0.162 1
1 903 . 5 1 1 A 74 74 ASP CA C 116 53.831 55.742 -1.911 1
1 904 . 5 1 1 A 74 74 ASP CB C 116 41.052 41.870 -0.818 1
1 905 . 5 1 1 A 74 74 ASP N N 116 118.021 124.859 -6.838 1
1 906 . 5 1 1 A 75 75 THR H H 117 7.301 7.444 -0.143 1
1 907 . 5 1 1 A 75 75 THR HA H 117 4.620 4.823 -0.203 1
1 912 . 5 1 1 A 75 75 THR C C 117 172.120 173.787 -1.667 1
1 913 . 5 1 1 A 75 75 THR CA C 117 61.907 61.576 0.331 1
1 914 . 5 1 1 A 75 75 THR CB C 117 71.398 69.689 1.709 1
1 916 . 5 1 1 A 75 75 THR N N 117 114.820 113.931 0.889 1
1 917 . 5 1 1 A 76 76 PHE H H 118 9.657 9.141 0.516 1
1 918 . 5 1 1 A 76 76 PHE HA H 118 4.290 4.635 -0.345 1
1 926 . 5 1 1 A 76 76 PHE C C 118 174.118 174.112 0.006 1
1 927 . 5 1 1 A 76 76 PHE CA C 118 58.185 57.174 1.011 1
1 928 . 5 1 1 A 76 76 PHE CB C 118 40.718 39.639 1.079 1
1 934 . 5 1 1 A 76 76 PHE N N 118 130.378 129.518 0.860 1
1 935 . 5 1 1 A 77 77 LYS H H 119 8.364 8.299 0.065 1
1 936 . 5 1 1 A 77 77 LYS HA H 119 4.853 4.824 0.029 1
1 945 . 5 1 1 A 77 77 LYS C C 119 175.278 174.606 0.672 1
1 946 . 5 1 1 A 77 77 LYS CA C 119 55.282 55.705 -0.423 1
1 947 . 5 1 1 A 77 77 LYS CB C 119 31.319 32.858 -1.539 1
1 951 . 5 1 1 A 77 77 LYS N N 119 129.777 128.616 1.161 1
1 952 . 5 1 1 A 78 78 ALA H H 120 8.837 8.457 0.380 1
1 953 . 5 1 1 A 78 78 ALA HA H 120 4.828 4.523 0.305 1
1 957 . 5 1 1 A 78 78 ALA C C 120 176.015 177.836 -1.821 1
1 958 . 5 1 1 A 78 78 ALA CA C 120 51.435 53.000 -1.565 1
1 959 . 5 1 1 A 78 78 ALA CB C 120 20.006 19.163 0.843 1
1 960 . 5 1 1 A 78 78 ALA N N 120 129.771 129.992 -0.221 1
1 961 . 5 1 1 A 79 79 ARG H H 121 9.846 8.763 1.083 1
1 962 . 5 1 1 A 79 79 ARG HA H 121 4.582 4.269 0.313 1
1 970 . 5 1 1 A 79 79 ARG C C 121 176.651 176.222 0.429 1
1 971 . 5 1 1 A 79 79 ARG CA C 121 57.420 57.876 -0.456 1
1 972 . 5 1 1 A 79 79 ARG CB C 121 31.773 31.258 0.515 1
1 975 . 5 1 1 A 79 79 ARG N N 121 125.113 124.590 0.523 1
1 977 . 5 1 1 A 80 80 THR H H 122 7.938 8.179 -0.241 1
1 978 . 5 1 1 A 80 80 THR HA H 122 4.921 5.081 -0.160 1
1 983 . 5 1 1 A 80 80 THR C C 122 172.002 172.881 -0.879 1
1 984 . 5 1 1 A 80 80 THR CA C 122 60.475 60.344 0.131 1
1 985 . 5 1 1 A 80 80 THR CB C 122 72.093 71.715 0.378 1
1 987 . 5 1 1 A 80 80 THR N N 122 109.595 108.589 1.006 1
1 988 . 5 1 1 A 81 81 LEU H H 123 8.196 8.898 -0.702 1
1 989 . 5 1 1 A 81 81 LEU HA H 123 4.701 4.887 -0.186 1
1 999 . 5 1 1 A 81 81 LEU C C 123 173.804 174.351 -0.547 1
1 1000 . 5 1 1 A 81 81 LEU CA C 123 55.357 53.189 2.168 1
1 1001 . 5 1 1 A 81 81 LEU CB C 123 44.009 44.125 -0.116 1
1 1005 . 5 1 1 A 81 81 LEU N N 123 123.214 125.234 -2.020 1
1 1006 . 5 1 1 A 82 82 MET H H 124 8.700 8.941 -0.241 1
1 1007 . 5 1 1 A 82 82 MET HA H 124 4.841 4.945 -0.104 1
1 1015 . 5 1 1 A 82 82 MET C C 124 175.097 175.249 -0.152 1
1 1016 . 5 1 1 A 82 82 MET CA C 124 54.190 54.047 0.143 1
1 1017 . 5 1 1 A 82 82 MET CB C 124 36.191 35.294 0.897 1
1 1020 . 5 1 1 A 82 82 MET N N 124 124.452 128.277 -3.825 1
1 1021 . 5 1 1 A 83 83 THR H H 125 8.671 8.822 -0.151 1
1 1022 . 5 1 1 A 83 83 THR HA H 125 4.934 4.665 0.269 1
1 1027 . 5 1 1 A 83 83 THR C C 125 174.094 175.363 -1.269 1
1 1028 . 5 1 1 A 83 83 THR CA C 125 60.253 61.198 -0.945 1
1 1029 . 5 1 1 A 83 83 THR CB C 125 69.831 69.661 0.170 1
1 1031 . 5 1 1 A 83 83 THR N N 125 113.070 116.899 -3.829 1
1 1032 . 5 1 1 A 84 84 LYS H H 126 8.419 9.003 -0.584 1
1 1033 . 5 1 1 A 84 84 LYS HA H 126 4.446 4.145 0.301 1
1 1042 . 5 1 1 A 84 84 LYS C C 126 175.461 176.701 -1.240 1
1 1043 . 5 1 1 A 84 84 LYS CA C 126 55.500 59.250 -3.750 1
1 1044 . 5 1 1 A 84 84 LYS CB C 126 33.736 32.550 1.186 1
1 1048 . 5 1 1 A 84 84 LYS N N 126 123.139 124.835 -1.696 1
1 1049 . 5 1 1 A 85 85 CYS H H 127 8.543 7.419 1.124 1
1 1050 . 5 1 1 A 85 85 CYS HA H 127 4.795 4.515 0.280 1
1 1053 . 5 1 1 A 85 85 CYS C C 127 172.809 173.668 -0.859 1
1 1054 . 5 1 1 A 85 85 CYS CA C 127 56.423 57.836 -1.413 1
1 1055 . 5 1 1 A 85 85 CYS CB C 127 27.739 28.648 -0.909 1
1 1056 . 5 1 1 A 85 85 CYS N N 127 123.709 117.581 6.128 1
1 1057 . 5 1 1 A 86 86 PRO HA H 128 4.439 4.665 -0.226 1
1 1064 . 5 1 1 A 86 86 PRO C C 128 176.560 176.228 0.332 1
1 1065 . 5 1 1 A 86 86 PRO CA C 128 63.292 62.283 1.009 1
1 1066 . 5 1 1 A 86 86 PRO CB C 128 32.165 32.498 -0.333 1
1 1069 . 5 1 1 A 87 87 LEU H H 129 8.274 8.334 -0.060 1
1 1070 . 5 1 1 A 87 87 LEU HA H 129 4.256 4.401 -0.145 1
1 1080 . 5 1 1 A 87 87 LEU C C 129 177.141 176.735 0.406 1
1 1081 . 5 1 1 A 87 87 LEU CA C 129 55.281 54.945 0.336 1
1 1082 . 5 1 1 A 87 87 LEU CB C 129 42.299 43.200 -0.901 1
1 1086 . 5 1 1 A 87 87 LEU N N 129 122.188 122.356 -0.168 1
1 1 . 6 1 1 A 2 2 ALA HA H 44 4.214 4.572 -0.358 1
1 5 . 6 1 1 A 2 2 ALA C C 44 173.758 176.707 -2.949 1
1 6 . 6 1 1 A 2 2 ALA CA C 44 51.848 50.585 1.263 1
1 7 . 6 1 1 A 2 2 ALA CB C 44 19.505 19.729 -0.224 1
1 8 . 6 1 1 A 3 3 THR H H 45 8.709 8.617 0.092 1
1 9 . 6 1 1 A 3 3 THR HA H 45 4.694 4.575 0.119 1
1 14 . 6 1 1 A 3 3 THR CA C 45 60.191 60.130 0.061 1
1 15 . 6 1 1 A 3 3 THR CB C 45 69.815 69.057 0.758 1
1 17 . 6 1 1 A 3 3 THR N N 45 116.649 116.779 -0.130 1
1 18 . 6 1 1 A 4 4 PRO HA H 46 4.412 4.502 -0.090 1
1 25 . 6 1 1 A 4 4 PRO C C 46 177.212 176.829 0.383 1
1 26 . 6 1 1 A 4 4 PRO CA C 46 63.698 63.167 0.531 1
1 27 . 6 1 1 A 4 4 PRO CB C 46 32.117 32.103 0.014 1
1 30 . 6 1 1 A 5 5 GLN H H 47 8.463 8.379 0.084 1
1 31 . 6 1 1 A 5 5 GLN HA H 47 4.260 4.379 -0.119 1
1 38 . 6 1 1 A 5 5 GLN C C 47 176.073 175.184 0.889 1
1 39 . 6 1 1 A 5 5 GLN CA C 47 56.328 55.703 0.625 1
1 40 . 6 1 1 A 5 5 GLN CB C 47 29.286 27.899 1.387 1
1 43 . 6 1 1 A 5 5 GLN N N 47 119.945 123.333 -3.388 1
1 45 . 6 1 1 A 6 6 ASP H H 48 8.276 8.302 -0.026 1
1 46 . 6 1 1 A 6 6 ASP HA H 48 4.558 4.901 -0.343 1
1 49 . 6 1 1 A 6 6 ASP C C 48 176.454 175.751 0.703 1
1 50 . 6 1 1 A 6 6 ASP CA C 48 54.538 53.664 0.874 1
1 51 . 6 1 1 A 6 6 ASP CB C 48 40.873 41.277 -0.404 1
1 52 . 6 1 1 A 6 6 ASP N N 48 120.974 124.816 -3.842 1
1 53 . 6 1 1 A 7 7 LYS H H 49 8.218 8.855 -0.637 1
1 54 . 6 1 1 A 7 7 LYS HA H 49 4.264 3.900 0.364 1
1 63 . 6 1 1 A 7 7 LYS C C 49 176.665 177.617 -0.952 1
1 64 . 6 1 1 A 7 7 LYS CA C 49 56.655 58.295 -1.640 1
1 65 . 6 1 1 A 7 7 LYS CB C 49 32.837 32.292 0.545 1
1 69 . 6 1 1 A 7 7 LYS N N 49 120.950 124.715 -3.765 1
1 70 . 6 1 1 A 8 8 LEU H H 50 8.010 7.860 0.150 1
1 71 . 6 1 1 A 8 8 LEU HA H 50 4.279 4.224 0.055 1
1 81 . 6 1 1 A 8 8 LEU C C 50 177.110 177.009 0.101 1
1 82 . 6 1 1 A 8 8 LEU CA C 50 55.353 55.532 -0.179 1
1 83 . 6 1 1 A 8 8 LEU CB C 50 42.302 40.889 1.413 1
1 87 . 6 1 1 A 8 8 LEU N N 50 121.105 115.179 5.926 1
1 88 . 6 1 1 A 9 9 HIS H H 51 8.411 7.351 1.060 1
1 89 . 6 1 1 A 9 9 HIS HA H 51 4.780 4.598 0.182 1
1 92 . 6 1 1 A 9 9 HIS C C 51 174.285 174.823 -0.538 1
1 93 . 6 1 1 A 9 9 HIS CA C 51 55.320 55.522 -0.202 1
1 94 . 6 1 1 A 9 9 HIS CB C 51 28.827 28.912 -0.085 1
1 95 . 6 1 1 A 9 9 HIS N N 51 119.035 118.507 0.528 1
1 96 . 6 1 1 A 10 10 THR H H 52 8.178 8.428 -0.250 1
1 97 . 6 1 1 A 10 10 THR HA H 52 4.488 5.228 -0.740 1
1 102 . 6 1 1 A 10 10 THR C C 52 173.766 173.058 0.708 1
1 103 . 6 1 1 A 10 10 THR CA C 52 62.392 59.670 2.722 1
1 104 . 6 1 1 A 10 10 THR CB C 52 70.104 71.978 -1.874 1
1 106 . 6 1 1 A 10 10 THR N N 52 117.285 114.495 2.790 1
1 107 . 6 1 1 A 11 11 VAL H H 53 9.088 9.106 -0.018 1
1 108 . 6 1 1 A 11 11 VAL HA H 53 4.464 4.685 -0.221 1
1 116 . 6 1 1 A 11 11 VAL C C 53 174.048 174.325 -0.277 1
1 117 . 6 1 1 A 11 11 VAL CA C 53 61.359 61.364 -0.005 1
1 118 . 6 1 1 A 11 11 VAL CB C 53 34.602 33.015 1.587 1
1 121 . 6 1 1 A 11 11 VAL N N 53 123.969 123.292 0.677 1
1 122 . 6 1 1 A 12 12 ARG H H 54 8.386 9.147 -0.761 1
1 123 . 6 1 1 A 12 12 ARG HA H 54 5.495 5.000 0.495 1
1 131 . 6 1 1 A 12 12 ARG C C 54 175.364 174.344 1.020 1
1 132 . 6 1 1 A 12 12 ARG CA C 54 54.401 55.125 -0.724 1
1 133 . 6 1 1 A 12 12 ARG CB C 54 32.753 31.458 1.295 1
1 136 . 6 1 1 A 12 12 ARG N N 54 125.294 129.013 -3.719 1
1 138 . 6 1 1 A 13 13 LEU H H 55 8.828 8.717 0.111 1
1 139 . 6 1 1 A 13 13 LEU HA H 55 4.726 5.043 -0.317 1
1 149 . 6 1 1 A 13 13 LEU C C 55 174.223 174.514 -0.291 1
1 150 . 6 1 1 A 13 13 LEU CA C 55 53.309 53.019 0.290 1
1 151 . 6 1 1 A 13 13 LEU CB C 55 45.884 45.357 0.527 1
1 155 . 6 1 1 A 13 13 LEU N N 55 124.874 128.651 -3.777 1
1 156 . 6 1 1 A 14 14 PHE H H 56 8.195 9.149 -0.954 1
1 157 . 6 1 1 A 14 14 PHE HA H 56 5.576 5.183 0.393 1
1 165 . 6 1 1 A 14 14 PHE C C 56 175.266 175.976 -0.710 1
1 166 . 6 1 1 A 14 14 PHE CA C 56 55.009 55.943 -0.934 1
1 167 . 6 1 1 A 14 14 PHE CB C 56 42.340 41.833 0.507 1
1 173 . 6 1 1 A 14 14 PHE N N 56 118.334 126.307 -7.973 1
1 174 . 6 1 1 A 15 15 GLY H H 57 8.134 8.206 -0.072 1
1 175 . 6 1 1 A 15 15 GLY HA2 H 57 4.229 4.267 -0.038 1
1 176 . 6 1 1 A 15 15 GLY HA3 H 57 4.004 4.279 -0.275 1
1 177 . 6 1 1 A 15 15 GLY C C 57 171.108 171.440 -0.332 1
1 178 . 6 1 1 A 15 15 GLY CA C 57 45.857 46.297 -0.440 1
1 179 . 6 1 1 A 15 15 GLY N N 57 109.159 109.472 -0.313 1
1 180 . 6 1 1 A 16 16 THR H H 58 8.595 8.514 0.081 1
1 181 . 6 1 1 A 16 16 THR HA H 58 5.114 5.033 0.081 1
1 186 . 6 1 1 A 16 16 THR C C 58 174.484 173.738 0.746 1
1 187 . 6 1 1 A 16 16 THR CA C 58 60.591 61.452 -0.861 1
1 188 . 6 1 1 A 16 16 THR CB C 58 71.164 71.562 -0.398 1
1 190 . 6 1 1 A 16 16 THR N N 58 113.580 115.486 -1.906 1
1 191 . 6 1 1 A 17 17 VAL H H 59 8.053 8.616 -0.563 1
1 192 . 6 1 1 A 17 17 VAL HA H 59 3.876 4.111 -0.235 1
1 200 . 6 1 1 A 17 17 VAL C C 59 176.315 175.853 0.462 1
1 201 . 6 1 1 A 17 17 VAL CA C 59 63.549 62.948 0.601 1
1 202 . 6 1 1 A 17 17 VAL CB C 59 32.779 31.689 1.090 1
1 205 . 6 1 1 A 17 17 VAL N N 59 124.410 126.980 -2.570 1
1 206 . 6 1 1 A 18 18 ALA H H 60 8.931 8.596 0.335 1
1 207 . 6 1 1 A 18 18 ALA HA H 60 4.354 4.347 0.007 1
1 211 . 6 1 1 A 18 18 ALA C C 60 177.293 178.140 -0.847 1
1 212 . 6 1 1 A 18 18 ALA CA C 60 52.138 52.230 -0.092 1
1 213 . 6 1 1 A 18 18 ALA CB C 60 19.782 19.380 0.402 1
1 214 . 6 1 1 A 18 18 ALA N N 60 133.912 129.397 4.515 1
1 215 . 6 1 1 A 19 19 ALA H H 61 8.548 8.698 -0.150 1
1 216 . 6 1 1 A 19 19 ALA HA H 61 4.105 4.189 -0.084 1
1 220 . 6 1 1 A 19 19 ALA C C 61 178.793 176.696 2.097 1
1 221 . 6 1 1 A 19 19 ALA CA C 61 54.218 53.835 0.383 1
1 222 . 6 1 1 A 19 19 ALA CB C 61 18.969 19.424 -0.455 1
1 223 . 6 1 1 A 19 19 ALA N N 61 121.667 123.525 -1.858 1
1 224 . 6 1 1 A 20 20 ASP H H 62 8.117 8.144 -0.027 1
1 225 . 6 1 1 A 20 20 ASP HA H 62 4.602 4.739 -0.137 1
1 228 . 6 1 1 A 20 20 ASP C C 62 177.210 176.296 0.914 1
1 229 . 6 1 1 A 20 20 ASP CA C 62 54.575 53.110 1.465 1
1 230 . 6 1 1 A 20 20 ASP CB C 62 41.188 41.661 -0.473 1
1 231 . 6 1 1 A 20 20 ASP N N 62 115.534 118.140 -2.606 1
1 232 . 6 1 1 A 21 21 GLY H H 63 8.996 8.531 0.465 1
1 233 . 6 1 1 A 21 21 GLY HA2 H 63 4.311 4.183 0.128 1
1 234 . 6 1 1 A 21 21 GLY HA3 H 63 3.888 4.319 -0.431 1
1 235 . 6 1 1 A 21 21 GLY C C 63 173.384 173.882 -0.498 1
1 236 . 6 1 1 A 21 21 GLY CA C 63 46.124 46.434 -0.310 1
1 237 . 6 1 1 A 21 21 GLY N N 63 112.754 112.838 -0.084 1
1 238 . 6 1 1 A 22 22 LEU H H 64 7.380 7.972 -0.592 1
1 239 . 6 1 1 A 22 22 LEU HA H 64 4.964 5.268 -0.304 1
1 249 . 6 1 1 A 22 22 LEU C C 64 178.011 174.565 3.446 1
1 250 . 6 1 1 A 22 22 LEU CA C 64 57.159 54.947 2.212 1
1 251 . 6 1 1 A 22 22 LEU CB C 64 42.160 46.085 -3.925 1
1 255 . 6 1 1 A 22 22 LEU N N 64 123.991 121.013 2.978 1
1 256 . 6 1 1 A 23 23 THR H H 65 9.752 9.239 0.513 1
1 257 . 6 1 1 A 23 23 THR HA H 65 4.755 4.988 -0.233 1
1 262 . 6 1 1 A 23 23 THR C C 65 173.249 173.446 -0.197 1
1 263 . 6 1 1 A 23 23 THR CA C 65 61.231 61.626 -0.395 1
1 264 . 6 1 1 A 23 23 THR CB C 65 71.995 72.088 -0.093 1
1 266 . 6 1 1 A 23 23 THR N N 65 124.024 121.319 2.705 1
1 267 . 6 1 1 A 24 24 MET H H 66 8.881 8.961 -0.080 1
1 268 . 6 1 1 A 24 24 MET HA H 66 5.019 5.023 -0.004 1
1 276 . 6 1 1 A 24 24 MET C C 66 176.750 175.645 1.105 1
1 277 . 6 1 1 A 24 24 MET CA C 66 54.452 54.361 0.091 1
1 278 . 6 1 1 A 24 24 MET CB C 66 31.809 34.404 -2.595 1
1 281 . 6 1 1 A 24 24 MET N N 66 125.215 126.363 -1.148 1
1 282 . 6 1 1 A 25 25 LEU H H 67 8.037 8.533 -0.496 1
1 283 . 6 1 1 A 25 25 LEU HA H 67 4.253 4.675 -0.422 1
1 293 . 6 1 1 A 25 25 LEU C C 67 176.617 175.955 0.662 1
1 294 . 6 1 1 A 25 25 LEU CA C 67 55.259 54.315 0.944 1
1 295 . 6 1 1 A 25 25 LEU CB C 67 41.019 41.698 -0.679 1
1 299 . 6 1 1 A 25 25 LEU N N 67 123.282 122.064 1.218 1
1 300 . 6 1 1 A 26 26 ASP H H 68 8.419 8.907 -0.488 1
1 301 . 6 1 1 A 26 26 ASP HA H 68 4.695 4.321 0.374 1
1 304 . 6 1 1 A 26 26 ASP C C 68 176.728 177.288 -0.560 1
1 305 . 6 1 1 A 26 26 ASP CA C 68 53.907 56.070 -2.163 1
1 306 . 6 1 1 A 26 26 ASP CB C 68 41.338 40.217 1.121 1
1 307 . 6 1 1 A 26 26 ASP N N 68 120.434 125.848 -5.414 1
1 308 . 6 1 1 A 27 27 GLY H H 69 8.607 8.769 -0.162 1
1 309 . 6 1 1 A 27 27 GLY HA2 H 69 4.055 3.868 0.187 1
1 310 . 6 1 1 A 27 27 GLY HA3 H 69 3.665 3.871 -0.206 1
1 311 . 6 1 1 A 27 27 GLY C C 69 173.151 173.465 -0.314 1
1 312 . 6 1 1 A 27 27 GLY CA C 69 45.895 45.756 0.139 1
1 313 . 6 1 1 A 27 27 GLY N N 69 112.545 112.115 0.430 1
1 314 . 6 1 1 A 28 28 ALA H H 70 7.634 7.531 0.103 1
1 315 . 6 1 1 A 28 28 ALA HA H 70 4.575 4.839 -0.264 1
1 319 . 6 1 1 A 28 28 ALA C C 70 174.090 175.123 -1.033 1
1 320 . 6 1 1 A 28 28 ALA CA C 70 50.137 49.568 0.569 1
1 321 . 6 1 1 A 28 28 ALA CB C 70 19.221 21.380 -2.159 1
1 322 . 6 1 1 A 28 28 ALA N N 70 125.545 121.231 4.314 1
1 323 . 6 1 1 A 29 29 PRO HA H 71 4.462 4.690 -0.228 1
1 330 . 6 1 1 A 29 29 PRO C C 71 176.671 175.916 0.755 1
1 331 . 6 1 1 A 29 29 PRO CA C 71 63.021 62.489 0.532 1
1 332 . 6 1 1 A 29 29 PRO CB C 71 32.015 30.051 1.964 1
1 335 . 6 1 1 A 30 30 GLY H H 72 7.988 7.418 0.570 1
1 336 . 6 1 1 A 30 30 GLY HA2 H 72 5.001 3.959 1.042 1
1 337 . 6 1 1 A 30 30 GLY HA3 H 72 3.991 4.052 -0.061 1
1 338 . 6 1 1 A 30 30 GLY C C 72 172.906 171.536 1.370 1
1 339 . 6 1 1 A 30 30 GLY CA C 72 45.642 45.358 0.284 1
1 340 . 6 1 1 A 30 30 GLY N N 72 109.355 111.361 -2.006 1
1 341 . 6 1 1 A 31 31 VAL H H 73 9.332 8.701 0.631 1
1 342 . 6 1 1 A 31 31 VAL HA H 73 5.194 4.833 0.361 1
1 350 . 6 1 1 A 31 31 VAL C C 73 171.443 172.982 -1.539 1
1 351 . 6 1 1 A 31 31 VAL CA C 73 60.233 60.055 0.178 1
1 352 . 6 1 1 A 31 31 VAL CB C 73 35.471 35.112 0.359 1
1 355 . 6 1 1 A 31 31 VAL N N 73 116.539 118.891 -2.352 1
1 356 . 6 1 1 A 32 32 ARG H H 74 8.956 9.097 -0.141 1
1 357 . 6 1 1 A 32 32 ARG HA H 74 5.999 5.513 0.486 1
1 365 . 6 1 1 A 32 32 ARG C C 74 174.581 175.172 -0.591 1
1 366 . 6 1 1 A 32 32 ARG CA C 74 54.187 54.505 -0.318 1
1 367 . 6 1 1 A 32 32 ARG CB C 74 33.463 32.323 1.140 1
1 370 . 6 1 1 A 32 32 ARG N N 74 127.557 129.304 -1.747 1
1 372 . 6 1 1 A 33 33 PHE H H 75 9.262 8.531 0.731 1
1 373 . 6 1 1 A 33 33 PHE HA H 75 5.461 5.404 0.057 1
1 381 . 6 1 1 A 33 33 PHE C C 75 171.210 172.973 -1.763 1
1 382 . 6 1 1 A 33 33 PHE CA C 75 55.947 56.162 -0.215 1
1 383 . 6 1 1 A 33 33 PHE CB C 75 41.151 41.202 -0.051 1
1 389 . 6 1 1 A 33 33 PHE N N 75 120.514 121.030 -0.516 1
1 390 . 6 1 1 A 34 34 ARG H H 76 9.921 8.610 1.311 1
1 391 . 6 1 1 A 34 34 ARG HA H 76 4.368 4.749 -0.381 1
1 399 . 6 1 1 A 34 34 ARG C C 76 173.994 174.594 -0.600 1
1 400 . 6 1 1 A 34 34 ARG CA C 76 54.594 54.601 -0.007 1
1 401 . 6 1 1 A 34 34 ARG CB C 76 31.539 31.075 0.464 1
1 404 . 6 1 1 A 34 34 ARG N N 76 122.011 118.612 3.399 1
1 406 . 6 1 1 A 35 35 LEU H H 77 8.781 8.801 -0.020 1
1 407 . 6 1 1 A 35 35 LEU HA H 77 4.755 4.956 -0.201 1
1 417 . 6 1 1 A 35 35 LEU C C 77 176.305 175.017 1.288 1
1 418 . 6 1 1 A 35 35 LEU CA C 77 53.188 54.405 -1.217 1
1 419 . 6 1 1 A 35 35 LEU CB C 77 44.689 43.063 1.626 1
1 423 . 6 1 1 A 35 35 LEU N N 77 127.038 126.366 0.672 1
1 424 . 6 1 1 A 36 36 GLU H H 78 9.342 8.666 0.676 1
1 425 . 6 1 1 A 36 36 GLU HA H 78 4.531 4.554 -0.023 1
1 430 . 6 1 1 A 36 36 GLU C C 78 175.380 175.784 -0.404 1
1 431 . 6 1 1 A 36 36 GLU CA C 78 54.829 55.992 -1.163 1
1 432 . 6 1 1 A 36 36 GLU CB C 78 29.842 30.424 -0.582 1
1 434 . 6 1 1 A 36 36 GLU N N 78 126.891 126.558 0.333 1
1 435 . 6 1 1 A 37 37 ASP H H 79 8.418 8.318 0.100 1
1 436 . 6 1 1 A 37 37 ASP HA H 79 4.630 4.536 0.094 1
1 439 . 6 1 1 A 37 37 ASP C C 79 176.623 177.461 -0.838 1
1 440 . 6 1 1 A 37 37 ASP CA C 79 53.996 54.257 -0.261 1
1 441 . 6 1 1 A 37 37 ASP CB C 79 41.401 42.663 -1.262 1
1 442 . 6 1 1 A 37 37 ASP N N 79 125.084 125.438 -0.354 1
1 443 . 6 1 1 A 38 38 LYS H H 80 8.691 8.664 0.027 1
1 444 . 6 1 1 A 38 38 LYS HA H 80 4.064 3.944 0.120 1
1 453 . 6 1 1 A 38 38 LYS C C 80 176.779 177.562 -0.783 1
1 454 . 6 1 1 A 38 38 LYS CA C 80 57.994 59.992 -1.998 1
1 455 . 6 1 1 A 38 38 LYS CB C 80 32.404 32.310 0.094 1
1 459 . 6 1 1 A 38 38 LYS N N 80 124.179 124.638 -0.459 1
1 460 . 6 1 1 A 39 39 ASP H H 81 8.355 7.807 0.548 1
1 461 . 6 1 1 A 39 39 ASP HA H 81 4.591 4.906 -0.315 1
1 464 . 6 1 1 A 39 39 ASP C C 81 175.682 176.020 -0.338 1
1 465 . 6 1 1 A 39 39 ASP CA C 81 54.888 54.080 0.808 1
1 466 . 6 1 1 A 39 39 ASP CB C 81 41.040 43.027 -1.987 1
1 467 . 6 1 1 A 39 39 ASP N N 81 117.392 113.908 3.484 1
1 468 . 6 1 1 A 40 40 ASN H H 82 7.954 7.378 0.576 1
1 469 . 6 1 1 A 40 40 ASN HA H 82 4.785 4.966 -0.181 1
1 474 . 6 1 1 A 40 40 ASN C C 82 175.435 175.388 0.047 1
1 475 . 6 1 1 A 40 40 ASN CA C 82 53.032 52.747 0.285 1
1 476 . 6 1 1 A 40 40 ASN CB C 82 38.471 37.025 1.446 1
1 478 . 6 1 1 A 40 40 ASN N N 82 117.785 118.579 -0.794 1
1 480 . 6 1 1 A 41 41 THR H H 83 8.518 8.419 0.099 1
1 481 . 6 1 1 A 41 41 THR HA H 83 4.243 4.032 0.211 1
1 486 . 6 1 1 A 41 41 THR C C 83 175.191 175.913 -0.722 1
1 487 . 6 1 1 A 41 41 THR CA C 83 63.584 64.808 -1.224 1
1 488 . 6 1 1 A 41 41 THR CB C 83 69.267 68.844 0.423 1
1 490 . 6 1 1 A 41 41 THR N N 83 114.265 120.378 -6.113 1
1 491 . 6 1 1 A 42 42 SER H H 84 8.179 8.145 0.034 1
1 492 . 6 1 1 A 42 42 SER HA H 84 4.439 4.204 0.235 1
1 495 . 6 1 1 A 42 42 SER C C 84 174.269 174.965 -0.696 1
1 496 . 6 1 1 A 42 42 SER CA C 84 59.222 61.473 -2.251 1
1 497 . 6 1 1 A 42 42 SER CB C 84 63.627 62.468 1.159 1
1 498 . 6 1 1 A 42 42 SER N N 84 115.576 115.721 -0.145 1
1 499 . 6 1 1 A 43 43 LYS H H 85 7.911 7.713 0.198 1
1 500 . 6 1 1 A 43 43 LYS HA H 85 4.460 4.449 0.011 1
1 509 . 6 1 1 A 43 43 LYS C C 85 175.440 175.348 0.092 1
1 510 . 6 1 1 A 43 43 LYS CA C 85 55.961 55.278 0.683 1
1 511 . 6 1 1 A 43 43 LYS CB C 85 33.032 31.216 1.816 1
1 515 . 6 1 1 A 43 43 LYS N N 85 123.691 119.943 3.748 1
1 516 . 6 1 1 A 44 44 THR H H 86 8.165 8.154 0.011 1
1 517 . 6 1 1 A 44 44 THR HA H 86 4.904 5.021 -0.117 1
1 522 . 6 1 1 A 44 44 THR C C 86 173.685 173.456 0.229 1
1 523 . 6 1 1 A 44 44 THR CA C 86 60.794 60.902 -0.108 1
1 524 . 6 1 1 A 44 44 THR CB C 86 71.046 70.171 0.875 1
1 526 . 6 1 1 A 44 44 THR N N 86 117.392 115.433 1.959 1
1 527 . 6 1 1 A 45 45 VAL H H 87 8.155 8.555 -0.400 1
1 528 . 6 1 1 A 45 45 VAL HA H 87 4.402 4.593 -0.191 1
1 536 . 6 1 1 A 45 45 VAL C C 87 174.343 175.009 -0.666 1
1 537 . 6 1 1 A 45 45 VAL CA C 87 60.551 60.514 0.037 1
1 538 . 6 1 1 A 45 45 VAL CB C 87 35.225 34.389 0.836 1
1 541 . 6 1 1 A 45 45 VAL N N 87 123.105 126.290 -3.185 1
1 542 . 6 1 1 A 46 46 TRP H H 88 8.574 8.348 0.226 1
1 543 . 6 1 1 A 46 46 TRP HA H 88 4.789 5.143 -0.354 1
1 552 . 6 1 1 A 46 46 TRP C C 88 175.287 176.475 -1.188 1
1 553 . 6 1 1 A 46 46 TRP CA C 88 57.716 56.997 0.719 1
1 554 . 6 1 1 A 46 46 TRP CB C 88 30.822 30.962 -0.140 1
1 560 . 6 1 1 A 46 46 TRP N N 88 126.326 128.318 -1.992 1
1 562 . 6 1 1 A 47 47 VAL H H 89 9.550 8.849 0.701 1
1 563 . 6 1 1 A 47 47 VAL HA H 89 4.884 5.118 -0.234 1
1 571 . 6 1 1 A 47 47 VAL C C 89 173.675 174.311 -0.636 1
1 572 . 6 1 1 A 47 47 VAL CA C 89 60.713 60.882 -0.169 1
1 573 . 6 1 1 A 47 47 VAL CB C 89 33.847 34.396 -0.549 1
1 576 . 6 1 1 A 47 47 VAL N N 89 123.380 121.848 1.532 1
1 577 . 6 1 1 A 48 48 LEU H H 90 8.757 9.033 -0.276 1
1 578 . 6 1 1 A 48 48 LEU HA H 90 5.181 4.838 0.343 1
1 588 . 6 1 1 A 48 48 LEU C C 90 175.118 174.974 0.144 1
1 589 . 6 1 1 A 48 48 LEU CA C 90 53.567 53.619 -0.052 1
1 590 . 6 1 1 A 48 48 LEU CB C 90 45.758 42.919 2.839 1
1 594 . 6 1 1 A 48 48 LEU N N 90 125.653 129.993 -4.340 1
1 595 . 6 1 1 A 49 49 TYR H H 91 9.355 8.960 0.395 1
1 596 . 6 1 1 A 49 49 TYR HA H 91 5.196 5.010 0.186 1
1 603 . 6 1 1 A 49 49 TYR C C 91 172.437 174.311 -1.874 1
1 604 . 6 1 1 A 49 49 TYR CA C 91 56.490 56.991 -0.501 1
1 605 . 6 1 1 A 49 49 TYR CB C 91 41.602 39.130 2.472 1
1 610 . 6 1 1 A 49 49 TYR N N 91 129.351 128.749 0.602 1
1 611 . 6 1 1 A 50 50 LYS H H 92 7.805 8.059 -0.254 1
1 612 . 6 1 1 A 50 50 LYS HA H 92 4.450 4.826 -0.376 1
1 621 . 6 1 1 A 50 50 LYS C C 92 173.949 175.678 -1.729 1
1 622 . 6 1 1 A 50 50 LYS CA C 92 55.264 54.691 0.573 1
1 623 . 6 1 1 A 50 50 LYS CB C 92 32.484 34.022 -1.538 1
1 627 . 6 1 1 A 50 50 LYS N N 92 127.571 126.915 0.656 1
1 628 . 6 1 1 A 51 51 GLY H H 93 7.147 7.929 -0.782 1
1 629 . 6 1 1 A 51 51 GLY HA2 H 93 3.810 3.862 -0.052 1
1 630 . 6 1 1 A 51 51 GLY HA3 H 93 3.609 3.999 -0.390 1
1 631 . 6 1 1 A 51 51 GLY C C 93 170.582 172.283 -1.701 1
1 632 . 6 1 1 A 51 51 GLY CA C 93 43.645 44.301 -0.656 1
1 633 . 6 1 1 A 51 51 GLY N N 93 111.723 109.436 2.287 1
1 634 . 6 1 1 A 52 52 ALA H H 94 8.185 8.203 -0.018 1
1 635 . 6 1 1 A 52 52 ALA HA H 94 4.273 4.234 0.039 1
1 639 . 6 1 1 A 52 52 ALA C C 94 178.775 177.344 1.431 1
1 640 . 6 1 1 A 52 52 ALA CA C 94 52.381 52.610 -0.229 1
1 641 . 6 1 1 A 52 52 ALA CB C 94 18.392 19.152 -0.760 1
1 642 . 6 1 1 A 52 52 ALA N N 94 119.165 123.085 -3.920 1
1 643 . 6 1 1 A 53 53 VAL H H 95 8.967 8.608 0.359 1
1 644 . 6 1 1 A 53 53 VAL HA H 95 4.200 4.497 -0.297 1
1 652 . 6 1 1 A 53 53 VAL C C 95 174.416 174.655 -0.239 1
1 653 . 6 1 1 A 53 53 VAL CA C 95 60.028 60.794 -0.766 1
1 654 . 6 1 1 A 53 53 VAL CB C 95 32.712 32.123 0.589 1
1 657 . 6 1 1 A 53 53 VAL N N 95 127.597 124.880 2.717 1
1 658 . 6 1 1 A 54 54 PRO HA H 96 4.609 4.550 0.059 1
1 665 . 6 1 1 A 54 54 PRO C C 96 177.752 177.154 0.598 1
1 666 . 6 1 1 A 54 54 PRO CA C 96 62.907 63.009 -0.102 1
1 667 . 6 1 1 A 54 54 PRO CB C 96 32.850 32.757 0.093 1
1 670 . 6 1 1 A 55 55 ASP H H 97 9.047 8.698 0.349 1
1 671 . 6 1 1 A 55 55 ASP HA H 97 4.459 4.362 0.097 1
1 674 . 6 1 1 A 55 55 ASP C C 97 176.541 177.598 -1.057 1
1 675 . 6 1 1 A 55 55 ASP CA C 97 56.434 56.768 -0.334 1
1 676 . 6 1 1 A 55 55 ASP CB C 97 39.845 40.449 -0.604 1
1 677 . 6 1 1 A 55 55 ASP N N 97 122.223 122.217 0.006 1
1 678 . 6 1 1 A 56 56 THR H H 98 7.196 7.591 -0.395 1
1 679 . 6 1 1 A 56 56 THR HA H 98 4.105 4.282 -0.177 1
1 684 . 6 1 1 A 56 56 THR C C 98 174.743 175.099 -0.356 1
1 685 . 6 1 1 A 56 56 THR CA C 98 60.857 63.073 -2.216 1
1 686 . 6 1 1 A 56 56 THR CB C 98 69.227 69.434 -0.207 1
1 688 . 6 1 1 A 56 56 THR N N 98 105.196 109.540 -4.344 1
1 689 . 6 1 1 A 57 57 PHE H H 99 7.766 7.530 0.236 1
1 690 . 6 1 1 A 57 57 PHE HA H 99 3.752 4.428 -0.676 1
1 698 . 6 1 1 A 57 57 PHE C C 99 172.629 174.596 -1.967 1
1 699 . 6 1 1 A 57 57 PHE CA C 99 60.570 59.291 1.279 1
1 700 . 6 1 1 A 57 57 PHE CB C 99 40.156 39.893 0.263 1
1 706 . 6 1 1 A 57 57 PHE N N 99 122.514 124.215 -1.701 1
1 707 . 6 1 1 A 58 58 LYS H H 100 6.468 8.163 -1.695 1
1 708 . 6 1 1 A 58 58 LYS HA H 100 4.409 4.548 -0.139 1
1 717 . 6 1 1 A 58 58 LYS C C 100 171.564 172.806 -1.242 1
1 718 . 6 1 1 A 58 58 LYS CA C 100 53.643 53.780 -0.137 1
1 719 . 6 1 1 A 58 58 LYS CB C 100 32.382 34.970 -2.588 1
1 723 . 6 1 1 A 58 58 LYS N N 100 125.478 122.916 2.562 1
1 724 . 6 1 1 A 59 59 PRO HA H 101 3.708 4.052 -0.344 1
1 731 . 6 1 1 A 59 59 PRO C C 101 176.868 177.377 -0.509 1
1 732 . 6 1 1 A 59 59 PRO CA C 101 63.881 63.482 0.399 1
1 733 . 6 1 1 A 59 59 PRO CB C 101 31.168 31.197 -0.029 1
1 736 . 6 1 1 A 60 60 GLY H H 102 9.269 8.710 0.559 1
1 737 . 6 1 1 A 60 60 GLY HA2 H 102 4.299 3.858 0.441 1
1 738 . 6 1 1 A 60 60 GLY HA3 H 102 3.502 3.862 -0.360 1
1 739 . 6 1 1 A 60 60 GLY C C 102 174.023 174.429 -0.406 1
1 740 . 6 1 1 A 60 60 GLY CA C 102 45.005 45.007 -0.002 1
1 741 . 6 1 1 A 60 60 GLY N N 102 112.023 112.634 -0.611 1
1 742 . 6 1 1 A 61 61 VAL H H 103 7.321 7.425 -0.104 1
1 743 . 6 1 1 A 61 61 VAL HA H 103 4.279 3.988 0.291 1
1 751 . 6 1 1 A 61 61 VAL C C 103 174.073 175.826 -1.753 1
1 752 . 6 1 1 A 61 61 VAL CA C 103 61.277 62.055 -0.778 1
1 753 . 6 1 1 A 61 61 VAL CB C 103 32.882 32.228 0.654 1
1 756 . 6 1 1 A 61 61 VAL N N 103 118.571 121.768 -3.197 1
1 757 . 6 1 1 A 62 62 GLU H H 104 8.204 8.450 -0.246 1
1 758 . 6 1 1 A 62 62 GLU HA H 104 4.946 4.518 0.428 1
1 763 . 6 1 1 A 62 62 GLU C C 104 176.252 176.475 -0.223 1
1 764 . 6 1 1 A 62 62 GLU CA C 104 55.398 56.407 -1.009 1
1 765 . 6 1 1 A 62 62 GLU CB C 104 30.129 30.097 0.032 1
1 767 . 6 1 1 A 62 62 GLU N N 104 123.214 127.348 -4.134 1
1 768 . 6 1 1 A 63 63 VAL H H 105 9.066 8.821 0.245 1
1 769 . 6 1 1 A 63 63 VAL HA H 105 5.297 5.175 0.122 1
1 777 . 6 1 1 A 63 63 VAL C C 105 173.913 174.406 -0.493 1
1 778 . 6 1 1 A 63 63 VAL CA C 105 58.284 59.142 -0.858 1
1 779 . 6 1 1 A 63 63 VAL CB C 105 36.265 35.631 0.634 1
1 782 . 6 1 1 A 63 63 VAL N N 105 115.526 118.148 -2.622 1
1 783 . 6 1 1 A 64 64 ILE H H 106 8.542 9.003 -0.461 1
1 784 . 6 1 1 A 64 64 ILE HA H 106 4.775 4.464 0.311 1
1 794 . 6 1 1 A 64 64 ILE C C 106 176.511 175.797 0.714 1
1 795 . 6 1 1 A 64 64 ILE CA C 106 60.804 60.128 0.676 1
1 796 . 6 1 1 A 64 64 ILE CB C 106 40.991 39.290 1.701 1
1 800 . 6 1 1 A 64 64 ILE N N 106 120.283 122.982 -2.699 1
1 801 . 6 1 1 A 65 65 ILE H H 107 8.944 8.585 0.359 1
1 802 . 6 1 1 A 65 65 ILE HA H 107 5.197 4.958 0.239 1
1 812 . 6 1 1 A 65 65 ILE C C 107 174.076 174.556 -0.480 1
1 813 . 6 1 1 A 65 65 ILE CA C 107 58.384 59.431 -1.047 1
1 814 . 6 1 1 A 65 65 ILE CB C 107 42.082 39.739 2.343 1
1 818 . 6 1 1 A 65 65 ILE N N 107 122.157 124.003 -1.846 1
1 819 . 6 1 1 A 66 66 GLU H H 108 7.762 8.675 -0.913 1
1 820 . 6 1 1 A 66 66 GLU HA H 108 5.801 5.610 0.191 1
1 825 . 6 1 1 A 66 66 GLU C C 108 176.789 175.496 1.293 1
1 826 . 6 1 1 A 66 66 GLU CA C 108 54.063 55.349 -1.286 1
1 827 . 6 1 1 A 66 66 GLU CB C 108 32.818 33.757 -0.939 1
1 829 . 6 1 1 A 66 66 GLU N N 108 119.473 122.684 -3.211 1
1 830 . 6 1 1 A 67 67 GLY H H 109 9.064 8.291 0.773 1
1 831 . 6 1 1 A 67 67 GLY HA2 H 109 4.773 4.188 0.585 1
1 832 . 6 1 1 A 67 67 GLY HA3 H 109 3.948 4.278 -0.330 1
1 833 . 6 1 1 A 67 67 GLY C C 109 170.431 172.254 -1.823 1
1 834 . 6 1 1 A 67 67 GLY CA C 109 46.598 46.035 0.563 1
1 835 . 6 1 1 A 67 67 GLY N N 109 112.366 112.164 0.202 1
1 836 . 6 1 1 A 68 68 GLY H H 110 7.116 7.731 -0.615 1
1 837 . 6 1 1 A 68 68 GLY HA2 H 110 3.949 4.201 -0.252 1
1 838 . 6 1 1 A 68 68 GLY HA3 H 110 3.732 4.243 -0.511 1
1 839 . 6 1 1 A 68 68 GLY C C 110 170.827 171.444 -0.617 1
1 840 . 6 1 1 A 68 68 GLY CA C 110 45.228 44.959 0.269 1
1 841 . 6 1 1 A 68 68 GLY N N 110 109.402 110.681 -1.279 1
1 842 . 6 1 1 A 69 69 LEU H H 111 8.542 8.782 -0.240 1
1 843 . 6 1 1 A 69 69 LEU HA H 111 4.546 5.019 -0.473 1
1 853 . 6 1 1 A 69 69 LEU C C 111 175.890 175.121 0.769 1
1 854 . 6 1 1 A 69 69 LEU CA C 111 54.400 53.606 0.794 1
1 855 . 6 1 1 A 69 69 LEU CB C 111 43.814 46.414 -2.600 1
1 859 . 6 1 1 A 69 69 LEU N N 111 122.808 123.144 -0.336 1
1 860 . 6 1 1 A 70 70 ALA H H 112 8.889 8.421 0.468 1
1 861 . 6 1 1 A 70 70 ALA HA H 112 4.639 4.526 0.113 1
1 865 . 6 1 1 A 70 70 ALA C C 112 174.900 176.079 -1.179 1
1 866 . 6 1 1 A 70 70 ALA CA C 112 49.951 50.621 -0.670 1
1 867 . 6 1 1 A 70 70 ALA CB C 112 18.111 18.349 -0.238 1
1 868 . 6 1 1 A 70 70 ALA N N 112 130.675 129.101 1.574 1
1 869 . 6 1 1 A 71 71 PRO HA H 113 4.338 4.298 0.040 1
1 876 . 6 1 1 A 71 71 PRO C C 113 178.206 177.507 0.699 1
1 877 . 6 1 1 A 71 71 PRO CA C 113 64.055 63.965 0.090 1
1 878 . 6 1 1 A 71 71 PRO CB C 113 31.754 31.395 0.359 1
1 881 . 6 1 1 A 72 72 GLY H H 114 8.748 8.858 -0.110 1
1 882 . 6 1 1 A 72 72 GLY HA2 H 114 4.165 3.864 0.301 1
1 883 . 6 1 1 A 72 72 GLY HA3 H 114 3.775 3.870 -0.095 1
1 884 . 6 1 1 A 72 72 GLY C C 114 174.200 173.939 0.261 1
1 885 . 6 1 1 A 72 72 GLY CA C 114 45.602 45.188 0.414 1
1 886 . 6 1 1 A 72 72 GLY N N 114 111.945 112.736 -0.791 1
1 887 . 6 1 1 A 73 73 GLU H H 115 7.931 7.927 0.004 1
1 888 . 6 1 1 A 73 73 GLU HA H 115 4.581 4.666 -0.085 1
1 893 . 6 1 1 A 73 73 GLU C C 115 175.843 175.808 0.035 1
1 894 . 6 1 1 A 73 73 GLU CA C 115 55.732 55.305 0.427 1
1 895 . 6 1 1 A 73 73 GLU CB C 115 31.128 31.296 -0.168 1
1 897 . 6 1 1 A 73 73 GLU N N 115 118.591 120.871 -2.280 1
1 898 . 6 1 1 A 74 74 ASP H H 116 8.467 8.759 -0.292 1
1 899 . 6 1 1 A 74 74 ASP HA H 116 4.823 4.935 -0.112 1
1 902 . 6 1 1 A 74 74 ASP C C 116 175.848 175.509 0.339 1
1 903 . 6 1 1 A 74 74 ASP CA C 116 53.831 54.566 -0.735 1
1 904 . 6 1 1 A 74 74 ASP CB C 116 41.052 41.963 -0.911 1
1 905 . 6 1 1 A 74 74 ASP N N 116 118.021 122.564 -4.543 1
1 906 . 6 1 1 A 75 75 THR H H 117 7.301 7.599 -0.298 1
1 907 . 6 1 1 A 75 75 THR HA H 117 4.620 5.264 -0.644 1
1 912 . 6 1 1 A 75 75 THR C C 117 172.120 172.291 -0.171 1
1 913 . 6 1 1 A 75 75 THR CA C 117 61.907 60.124 1.783 1
1 914 . 6 1 1 A 75 75 THR CB C 117 71.398 71.611 -0.213 1
1 916 . 6 1 1 A 75 75 THR N N 117 114.820 114.022 0.798 1
1 917 . 6 1 1 A 76 76 PHE H H 118 9.657 9.276 0.381 1
1 918 . 6 1 1 A 76 76 PHE HA H 118 4.290 4.841 -0.551 1
1 926 . 6 1 1 A 76 76 PHE C C 118 174.118 174.118 0.000 1
1 927 . 6 1 1 A 76 76 PHE CA C 118 58.185 57.399 0.786 1
1 928 . 6 1 1 A 76 76 PHE CB C 118 40.718 40.270 0.448 1
1 934 . 6 1 1 A 76 76 PHE N N 118 130.378 130.009 0.369 1
1 935 . 6 1 1 A 77 77 LYS H H 119 8.364 8.023 0.341 1
1 936 . 6 1 1 A 77 77 LYS HA H 119 4.853 4.861 -0.008 1
1 945 . 6 1 1 A 77 77 LYS C C 119 175.278 174.855 0.423 1
1 946 . 6 1 1 A 77 77 LYS CA C 119 55.282 55.557 -0.275 1
1 947 . 6 1 1 A 77 77 LYS CB C 119 31.319 32.860 -1.541 1
1 951 . 6 1 1 A 77 77 LYS N N 119 129.777 125.992 3.785 1
1 952 . 6 1 1 A 78 78 ALA H H 120 8.837 8.550 0.287 1
1 953 . 6 1 1 A 78 78 ALA HA H 120 4.828 4.754 0.074 1
1 957 . 6 1 1 A 78 78 ALA C C 120 176.015 178.719 -2.704 1
1 958 . 6 1 1 A 78 78 ALA CA C 120 51.435 51.960 -0.525 1
1 959 . 6 1 1 A 78 78 ALA CB C 120 20.006 20.092 -0.086 1
1 960 . 6 1 1 A 78 78 ALA N N 120 129.771 129.106 0.665 1
1 961 . 6 1 1 A 79 79 ARG H H 121 9.846 8.739 1.107 1
1 962 . 6 1 1 A 79 79 ARG HA H 121 4.582 4.238 0.344 1
1 970 . 6 1 1 A 79 79 ARG C C 121 176.651 176.037 0.614 1
1 971 . 6 1 1 A 79 79 ARG CA C 121 57.420 57.629 -0.209 1
1 972 . 6 1 1 A 79 79 ARG CB C 121 31.773 30.670 1.103 1
1 975 . 6 1 1 A 79 79 ARG N N 121 125.113 121.604 3.509 1
1 977 . 6 1 1 A 80 80 THR H H 122 7.938 7.893 0.045 1
1 978 . 6 1 1 A 80 80 THR HA H 122 4.921 5.269 -0.348 1
1 983 . 6 1 1 A 80 80 THR C C 122 172.002 172.812 -0.810 1
1 984 . 6 1 1 A 80 80 THR CA C 122 60.475 60.354 0.121 1
1 985 . 6 1 1 A 80 80 THR CB C 122 72.093 71.990 0.103 1
1 987 . 6 1 1 A 80 80 THR N N 122 109.595 109.123 0.472 1
1 988 . 6 1 1 A 81 81 LEU H H 123 8.196 8.735 -0.539 1
1 989 . 6 1 1 A 81 81 LEU HA H 123 4.701 4.757 -0.056 1
1 999 . 6 1 1 A 81 81 LEU C C 123 173.804 173.804 0.000 1
1 1000 . 6 1 1 A 81 81 LEU CA C 123 55.357 54.067 1.290 1
1 1001 . 6 1 1 A 81 81 LEU CB C 123 44.009 45.141 -1.132 1
1 1005 . 6 1 1 A 81 81 LEU N N 123 123.214 123.029 0.185 1
1 1006 . 6 1 1 A 82 82 MET H H 124 8.700 8.862 -0.162 1
1 1007 . 6 1 1 A 82 82 MET HA H 124 4.841 4.925 -0.084 1
1 1015 . 6 1 1 A 82 82 MET C C 124 175.097 175.232 -0.135 1
1 1016 . 6 1 1 A 82 82 MET CA C 124 54.190 53.789 0.401 1
1 1017 . 6 1 1 A 82 82 MET CB C 124 36.191 33.857 2.334 1
1 1020 . 6 1 1 A 82 82 MET N N 124 124.452 126.778 -2.326 1
1 1021 . 6 1 1 A 83 83 THR H H 125 8.671 8.773 -0.102 1
1 1022 . 6 1 1 A 83 83 THR HA H 125 4.934 4.550 0.384 1
1 1027 . 6 1 1 A 83 83 THR C C 125 174.094 175.021 -0.927 1
1 1028 . 6 1 1 A 83 83 THR CA C 125 60.253 61.822 -1.569 1
1 1029 . 6 1 1 A 83 83 THR CB C 125 69.831 69.917 -0.086 1
1 1031 . 6 1 1 A 83 83 THR N N 125 113.070 117.659 -4.589 1
1 1032 . 6 1 1 A 84 84 LYS H H 126 8.419 8.958 -0.539 1
1 1033 . 6 1 1 A 84 84 LYS HA H 126 4.446 4.389 0.057 1
1 1042 . 6 1 1 A 84 84 LYS C C 126 175.461 176.632 -1.171 1
1 1043 . 6 1 1 A 84 84 LYS CA C 126 55.500 57.472 -1.972 1
1 1044 . 6 1 1 A 84 84 LYS CB C 126 33.736 33.475 0.261 1
1 1048 . 6 1 1 A 84 84 LYS N N 126 123.139 124.586 -1.447 1
1 1049 . 6 1 1 A 85 85 CYS H H 127 8.543 7.758 0.785 1
1 1050 . 6 1 1 A 85 85 CYS HA H 127 4.795 4.530 0.265 1
1 1053 . 6 1 1 A 85 85 CYS C C 127 172.809 174.054 -1.245 1
1 1054 . 6 1 1 A 85 85 CYS CA C 127 56.423 57.035 -0.612 1
1 1055 . 6 1 1 A 85 85 CYS CB C 127 27.739 27.837 -0.098 1
1 1056 . 6 1 1 A 85 85 CYS N N 127 123.709 117.397 6.312 1
1 1057 . 6 1 1 A 86 86 PRO HA H 128 4.439 4.794 -0.355 1
1 1064 . 6 1 1 A 86 86 PRO C C 128 176.560 175.917 0.643 1
1 1065 . 6 1 1 A 86 86 PRO CA C 128 63.292 62.198 1.094 1
1 1066 . 6 1 1 A 86 86 PRO CB C 128 32.165 29.501 2.664 1
1 1069 . 6 1 1 A 87 87 LEU H H 129 8.274 8.049 0.225 1
1 1070 . 6 1 1 A 87 87 LEU HA H 129 4.256 4.350 -0.094 1
1 1080 . 6 1 1 A 87 87 LEU C C 129 177.141 176.147 0.994 1
1 1081 . 6 1 1 A 87 87 LEU CA C 129 55.281 55.789 -0.508 1
1 1082 . 6 1 1 A 87 87 LEU CB C 129 42.299 42.629 -0.330 1
1 1086 . 6 1 1 A 87 87 LEU N N 129 122.188 124.112 -1.924 1
1 1 . 7 1 1 A 2 2 ALA HA H 44 4.214 4.400 -0.186 1
1 5 . 7 1 1 A 2 2 ALA C C 44 173.758 177.014 -3.256 1
1 6 . 7 1 1 A 2 2 ALA CA C 44 51.848 51.495 0.353 1
1 7 . 7 1 1 A 2 2 ALA CB C 44 19.505 18.010 1.495 1
1 8 . 7 1 1 A 3 3 THR H H 45 8.709 8.047 0.662 1
1 9 . 7 1 1 A 3 3 THR HA H 45 4.694 4.664 0.030 1
1 14 . 7 1 1 A 3 3 THR CA C 45 60.191 59.823 0.368 1
1 15 . 7 1 1 A 3 3 THR CB C 45 69.815 69.079 0.736 1
1 17 . 7 1 1 A 3 3 THR N N 45 116.649 114.545 2.104 1
1 18 . 7 1 1 A 4 4 PRO HA H 46 4.412 4.432 -0.020 1
1 25 . 7 1 1 A 4 4 PRO C C 46 177.212 177.065 0.147 1
1 26 . 7 1 1 A 4 4 PRO CA C 46 63.698 63.096 0.602 1
1 27 . 7 1 1 A 4 4 PRO CB C 46 32.117 31.648 0.469 1
1 30 . 7 1 1 A 5 5 GLN H H 47 8.463 8.390 0.073 1
1 31 . 7 1 1 A 5 5 GLN HA H 47 4.260 4.245 0.015 1
1 38 . 7 1 1 A 5 5 GLN C C 47 176.073 174.942 1.131 1
1 39 . 7 1 1 A 5 5 GLN CA C 47 56.328 56.167 0.161 1
1 40 . 7 1 1 A 5 5 GLN CB C 47 29.286 28.813 0.473 1
1 43 . 7 1 1 A 5 5 GLN N N 47 119.945 119.500 0.445 1
1 45 . 7 1 1 A 6 6 ASP H H 48 8.276 8.703 -0.427 1
1 46 . 7 1 1 A 6 6 ASP HA H 48 4.558 4.661 -0.103 1
1 49 . 7 1 1 A 6 6 ASP C C 48 176.454 176.179 0.275 1
1 50 . 7 1 1 A 6 6 ASP CA C 48 54.538 54.104 0.434 1
1 51 . 7 1 1 A 6 6 ASP CB C 48 40.873 41.090 -0.217 1
1 52 . 7 1 1 A 6 6 ASP N N 48 120.974 125.410 -4.436 1
1 53 . 7 1 1 A 7 7 LYS H H 49 8.218 9.046 -0.828 1
1 54 . 7 1 1 A 7 7 LYS HA H 49 4.264 4.521 -0.257 1
1 63 . 7 1 1 A 7 7 LYS C C 49 176.665 178.414 -1.749 1
1 64 . 7 1 1 A 7 7 LYS CA C 49 56.655 57.229 -0.574 1
1 65 . 7 1 1 A 7 7 LYS CB C 49 32.837 34.731 -1.894 1
1 69 . 7 1 1 A 7 7 LYS N N 49 120.950 127.807 -6.857 1
1 70 . 7 1 1 A 8 8 LEU H H 50 8.010 7.910 0.100 1
1 71 . 7 1 1 A 8 8 LEU HA H 50 4.279 4.160 0.119 1
1 81 . 7 1 1 A 8 8 LEU C C 50 177.110 177.187 -0.077 1
1 82 . 7 1 1 A 8 8 LEU CA C 50 55.353 56.853 -1.500 1
1 83 . 7 1 1 A 8 8 LEU CB C 50 42.302 42.579 -0.277 1
1 87 . 7 1 1 A 8 8 LEU N N 50 121.105 119.239 1.866 1
1 88 . 7 1 1 A 9 9 HIS H H 51 8.411 7.775 0.636 1
1 89 . 7 1 1 A 9 9 HIS HA H 51 4.780 4.678 0.102 1
1 92 . 7 1 1 A 9 9 HIS C C 51 174.285 174.292 -0.007 1
1 93 . 7 1 1 A 9 9 HIS CA C 51 55.320 54.588 0.732 1
1 94 . 7 1 1 A 9 9 HIS CB C 51 28.827 27.782 1.045 1
1 95 . 7 1 1 A 9 9 HIS N N 51 119.035 115.650 3.385 1
1 96 . 7 1 1 A 10 10 THR H H 52 8.178 8.288 -0.110 1
1 97 . 7 1 1 A 10 10 THR HA H 52 4.488 4.369 0.119 1
1 102 . 7 1 1 A 10 10 THR C C 52 173.766 174.016 -0.250 1
1 103 . 7 1 1 A 10 10 THR CA C 52 62.392 63.184 -0.792 1
1 104 . 7 1 1 A 10 10 THR CB C 52 70.104 68.979 1.125 1
1 106 . 7 1 1 A 10 10 THR N N 52 117.285 119.798 -2.513 1
1 107 . 7 1 1 A 11 11 VAL H H 53 9.088 8.794 0.294 1
1 108 . 7 1 1 A 11 11 VAL HA H 53 4.464 4.669 -0.205 1
1 116 . 7 1 1 A 11 11 VAL C C 53 174.048 174.716 -0.668 1
1 117 . 7 1 1 A 11 11 VAL CA C 53 61.359 61.542 -0.183 1
1 118 . 7 1 1 A 11 11 VAL CB C 53 34.602 33.369 1.233 1
1 121 . 7 1 1 A 11 11 VAL N N 53 123.969 128.208 -4.239 1
1 122 . 7 1 1 A 12 12 ARG H H 54 8.386 8.932 -0.546 1
1 123 . 7 1 1 A 12 12 ARG HA H 54 5.495 5.446 0.049 1
1 131 . 7 1 1 A 12 12 ARG C C 54 175.364 174.312 1.052 1
1 132 . 7 1 1 A 12 12 ARG CA C 54 54.401 54.389 0.012 1
1 133 . 7 1 1 A 12 12 ARG CB C 54 32.753 33.942 -1.189 1
1 136 . 7 1 1 A 12 12 ARG N N 54 125.294 127.456 -2.162 1
1 138 . 7 1 1 A 13 13 LEU H H 55 8.828 8.682 0.146 1
1 139 . 7 1 1 A 13 13 LEU HA H 55 4.726 4.799 -0.073 1
1 149 . 7 1 1 A 13 13 LEU C C 55 174.223 175.312 -1.089 1
1 150 . 7 1 1 A 13 13 LEU CA C 55 53.309 52.863 0.446 1
1 151 . 7 1 1 A 13 13 LEU CB C 55 45.884 45.753 0.131 1
1 155 . 7 1 1 A 13 13 LEU N N 55 124.874 126.342 -1.468 1
1 156 . 7 1 1 A 14 14 PHE H H 56 8.195 8.738 -0.543 1
1 157 . 7 1 1 A 14 14 PHE HA H 56 5.576 5.265 0.311 1
1 165 . 7 1 1 A 14 14 PHE C C 56 175.266 175.090 0.176 1
1 166 . 7 1 1 A 14 14 PHE CA C 56 55.009 55.959 -0.950 1
1 167 . 7 1 1 A 14 14 PHE CB C 56 42.340 42.605 -0.265 1
1 173 . 7 1 1 A 14 14 PHE N N 56 118.334 119.540 -1.206 1
1 174 . 7 1 1 A 15 15 GLY H H 57 8.134 8.000 0.134 1
1 175 . 7 1 1 A 15 15 GLY HA2 H 57 4.229 4.246 -0.017 1
1 176 . 7 1 1 A 15 15 GLY HA3 H 57 4.004 4.257 -0.253 1
1 177 . 7 1 1 A 15 15 GLY C C 57 171.108 171.631 -0.523 1
1 178 . 7 1 1 A 15 15 GLY CA C 57 45.857 46.231 -0.374 1
1 179 . 7 1 1 A 15 15 GLY N N 57 109.159 109.384 -0.225 1
1 180 . 7 1 1 A 16 16 THR H H 58 8.595 8.415 0.180 1
1 181 . 7 1 1 A 16 16 THR HA H 58 5.114 5.112 0.002 1
1 186 . 7 1 1 A 16 16 THR C C 58 174.484 173.613 0.871 1
1 187 . 7 1 1 A 16 16 THR CA C 58 60.591 61.265 -0.674 1
1 188 . 7 1 1 A 16 16 THR CB C 58 71.164 71.714 -0.550 1
1 190 . 7 1 1 A 16 16 THR N N 58 113.580 115.564 -1.984 1
1 191 . 7 1 1 A 17 17 VAL H H 59 8.053 8.634 -0.581 1
1 192 . 7 1 1 A 17 17 VAL HA H 59 3.876 4.193 -0.317 1
1 200 . 7 1 1 A 17 17 VAL C C 59 176.315 175.960 0.355 1
1 201 . 7 1 1 A 17 17 VAL CA C 59 63.549 63.176 0.373 1
1 202 . 7 1 1 A 17 17 VAL CB C 59 32.779 31.428 1.351 1
1 205 . 7 1 1 A 17 17 VAL N N 59 124.410 126.630 -2.220 1
1 206 . 7 1 1 A 18 18 ALA H H 60 8.931 8.748 0.183 1
1 207 . 7 1 1 A 18 18 ALA HA H 60 4.354 4.443 -0.089 1
1 211 . 7 1 1 A 18 18 ALA C C 60 177.293 178.748 -1.455 1
1 212 . 7 1 1 A 18 18 ALA CA C 60 52.138 52.221 -0.083 1
1 213 . 7 1 1 A 18 18 ALA CB C 60 19.782 19.372 0.410 1
1 214 . 7 1 1 A 18 18 ALA N N 60 133.912 129.932 3.980 1
1 215 . 7 1 1 A 19 19 ALA H H 61 8.548 8.745 -0.197 1
1 216 . 7 1 1 A 19 19 ALA HA H 61 4.105 4.231 -0.126 1
1 220 . 7 1 1 A 19 19 ALA C C 61 178.793 176.385 2.408 1
1 221 . 7 1 1 A 19 19 ALA CA C 61 54.218 53.392 0.826 1
1 222 . 7 1 1 A 19 19 ALA CB C 61 18.969 19.366 -0.397 1
1 223 . 7 1 1 A 19 19 ALA N N 61 121.667 123.481 -1.814 1
1 224 . 7 1 1 A 20 20 ASP H H 62 8.117 8.229 -0.112 1
1 225 . 7 1 1 A 20 20 ASP HA H 62 4.602 5.103 -0.501 1
1 228 . 7 1 1 A 20 20 ASP C C 62 177.210 176.591 0.619 1
1 229 . 7 1 1 A 20 20 ASP CA C 62 54.575 52.555 2.020 1
1 230 . 7 1 1 A 20 20 ASP CB C 62 41.188 42.735 -1.547 1
1 231 . 7 1 1 A 20 20 ASP N N 62 115.534 119.448 -3.914 1
1 232 . 7 1 1 A 21 21 GLY H H 63 8.996 9.060 -0.064 1
1 233 . 7 1 1 A 21 21 GLY HA2 H 63 4.311 4.198 0.113 1
1 234 . 7 1 1 A 21 21 GLY HA3 H 63 3.888 4.237 -0.349 1
1 235 . 7 1 1 A 21 21 GLY C C 63 173.384 174.412 -1.028 1
1 236 . 7 1 1 A 21 21 GLY CA C 63 46.124 45.060 1.064 1
1 237 . 7 1 1 A 21 21 GLY N N 63 112.754 114.584 -1.830 1
1 238 . 7 1 1 A 22 22 LEU H H 64 7.380 7.962 -0.582 1
1 239 . 7 1 1 A 22 22 LEU HA H 64 4.964 5.179 -0.215 1
1 249 . 7 1 1 A 22 22 LEU C C 64 178.011 174.914 3.097 1
1 250 . 7 1 1 A 22 22 LEU CA C 64 57.159 54.454 2.705 1
1 251 . 7 1 1 A 22 22 LEU CB C 64 42.160 41.968 0.192 1
1 255 . 7 1 1 A 22 22 LEU N N 64 123.991 123.546 0.445 1
1 256 . 7 1 1 A 23 23 THR H H 65 9.752 9.283 0.469 1
1 257 . 7 1 1 A 23 23 THR HA H 65 4.755 4.994 -0.239 1
1 262 . 7 1 1 A 23 23 THR C C 65 173.249 173.684 -0.435 1
1 263 . 7 1 1 A 23 23 THR CA C 65 61.231 61.643 -0.412 1
1 264 . 7 1 1 A 23 23 THR CB C 65 71.995 70.518 1.477 1
1 266 . 7 1 1 A 23 23 THR N N 65 124.024 123.011 1.013 1
1 267 . 7 1 1 A 24 24 MET H H 66 8.881 8.508 0.373 1
1 268 . 7 1 1 A 24 24 MET HA H 66 5.019 4.864 0.155 1
1 276 . 7 1 1 A 24 24 MET C C 66 176.750 176.335 0.415 1
1 277 . 7 1 1 A 24 24 MET CA C 66 54.452 54.349 0.103 1
1 278 . 7 1 1 A 24 24 MET CB C 66 31.809 32.620 -0.811 1
1 281 . 7 1 1 A 24 24 MET N N 66 125.215 126.620 -1.405 1
1 282 . 7 1 1 A 25 25 LEU H H 67 8.037 8.513 -0.476 1
1 283 . 7 1 1 A 25 25 LEU HA H 67 4.253 4.167 0.086 1
1 293 . 7 1 1 A 25 25 LEU C C 67 176.617 176.582 0.035 1
1 294 . 7 1 1 A 25 25 LEU CA C 67 55.259 55.599 -0.340 1
1 295 . 7 1 1 A 25 25 LEU CB C 67 41.019 41.698 -0.679 1
1 299 . 7 1 1 A 25 25 LEU N N 67 123.282 124.258 -0.976 1
1 300 . 7 1 1 A 26 26 ASP H H 68 8.419 8.803 -0.384 1
1 301 . 7 1 1 A 26 26 ASP HA H 68 4.695 4.499 0.196 1
1 304 . 7 1 1 A 26 26 ASP C C 68 176.728 176.715 0.013 1
1 305 . 7 1 1 A 26 26 ASP CA C 68 53.907 55.511 -1.604 1
1 306 . 7 1 1 A 26 26 ASP CB C 68 41.338 40.330 1.008 1
1 307 . 7 1 1 A 26 26 ASP N N 68 120.434 125.114 -4.680 1
1 308 . 7 1 1 A 27 27 GLY H H 69 8.607 8.868 -0.261 1
1 309 . 7 1 1 A 27 27 GLY HA2 H 69 4.055 3.896 0.159 1
1 310 . 7 1 1 A 27 27 GLY HA3 H 69 3.665 3.898 -0.233 1
1 311 . 7 1 1 A 27 27 GLY C C 69 173.151 173.474 -0.323 1
1 312 . 7 1 1 A 27 27 GLY CA C 69 45.895 46.375 -0.480 1
1 313 . 7 1 1 A 27 27 GLY N N 69 112.545 111.812 0.733 1
1 314 . 7 1 1 A 28 28 ALA H H 70 7.634 7.114 0.520 1
1 315 . 7 1 1 A 28 28 ALA HA H 70 4.575 4.701 -0.126 1
1 319 . 7 1 1 A 28 28 ALA C C 70 174.090 174.379 -0.289 1
1 320 . 7 1 1 A 28 28 ALA CA C 70 50.137 49.862 0.275 1
1 321 . 7 1 1 A 28 28 ALA CB C 70 19.221 22.143 -2.922 1
1 322 . 7 1 1 A 28 28 ALA N N 70 125.545 120.869 4.676 1
1 323 . 7 1 1 A 29 29 PRO HA H 71 4.462 4.639 -0.177 1
1 330 . 7 1 1 A 29 29 PRO C C 71 176.671 176.011 0.660 1
1 331 . 7 1 1 A 29 29 PRO CA C 71 63.021 63.485 -0.464 1
1 332 . 7 1 1 A 29 29 PRO CB C 71 32.015 31.492 0.523 1
1 335 . 7 1 1 A 30 30 GLY H H 72 7.988 7.882 0.106 1
1 336 . 7 1 1 A 30 30 GLY HA2 H 72 5.001 3.925 1.076 1
1 337 . 7 1 1 A 30 30 GLY HA3 H 72 3.991 3.987 0.004 1
1 338 . 7 1 1 A 30 30 GLY C C 72 172.906 171.294 1.612 1
1 339 . 7 1 1 A 30 30 GLY CA C 72 45.642 45.275 0.367 1
1 340 . 7 1 1 A 30 30 GLY N N 72 109.355 109.521 -0.166 1
1 341 . 7 1 1 A 31 31 VAL H H 73 9.332 8.697 0.635 1
1 342 . 7 1 1 A 31 31 VAL HA H 73 5.194 5.036 0.158 1
1 350 . 7 1 1 A 31 31 VAL C C 73 171.443 173.174 -1.731 1
1 351 . 7 1 1 A 31 31 VAL CA C 73 60.233 59.619 0.614 1
1 352 . 7 1 1 A 31 31 VAL CB C 73 35.471 35.740 -0.269 1
1 355 . 7 1 1 A 31 31 VAL N N 73 116.539 118.387 -1.848 1
1 356 . 7 1 1 A 32 32 ARG H H 74 8.956 9.072 -0.116 1
1 357 . 7 1 1 A 32 32 ARG HA H 74 5.999 6.007 -0.008 1
1 365 . 7 1 1 A 32 32 ARG C C 74 174.581 174.867 -0.286 1
1 366 . 7 1 1 A 32 32 ARG CA C 74 54.187 54.468 -0.281 1
1 367 . 7 1 1 A 32 32 ARG CB C 74 33.463 34.197 -0.734 1
1 370 . 7 1 1 A 32 32 ARG N N 74 127.557 128.087 -0.530 1
1 372 . 7 1 1 A 33 33 PHE H H 75 9.262 8.558 0.704 1
1 373 . 7 1 1 A 33 33 PHE HA H 75 5.461 5.359 0.102 1
1 381 . 7 1 1 A 33 33 PHE C C 75 171.210 172.188 -0.978 1
1 382 . 7 1 1 A 33 33 PHE CA C 75 55.947 56.200 -0.253 1
1 383 . 7 1 1 A 33 33 PHE CB C 75 41.151 41.185 -0.034 1
1 389 . 7 1 1 A 33 33 PHE N N 75 120.514 120.700 -0.186 1
1 390 . 7 1 1 A 34 34 ARG H H 76 9.921 8.630 1.291 1
1 391 . 7 1 1 A 34 34 ARG HA H 76 4.368 4.754 -0.386 1
1 399 . 7 1 1 A 34 34 ARG C C 76 173.994 175.011 -1.017 1
1 400 . 7 1 1 A 34 34 ARG CA C 76 54.594 55.527 -0.933 1
1 401 . 7 1 1 A 34 34 ARG CB C 76 31.539 30.714 0.825 1
1 404 . 7 1 1 A 34 34 ARG N N 76 122.011 119.619 2.392 1
1 406 . 7 1 1 A 35 35 LEU H H 77 8.781 8.622 0.159 1
1 407 . 7 1 1 A 35 35 LEU HA H 77 4.755 4.780 -0.025 1
1 417 . 7 1 1 A 35 35 LEU C C 77 176.305 175.490 0.815 1
1 418 . 7 1 1 A 35 35 LEU CA C 77 53.188 54.986 -1.798 1
1 419 . 7 1 1 A 35 35 LEU CB C 77 44.689 42.724 1.965 1
1 423 . 7 1 1 A 35 35 LEU N N 77 127.038 128.436 -1.398 1
1 424 . 7 1 1 A 36 36 GLU H H 78 9.342 8.719 0.623 1
1 425 . 7 1 1 A 36 36 GLU HA H 78 4.531 4.512 0.019 1
1 430 . 7 1 1 A 36 36 GLU C C 78 175.380 175.894 -0.514 1
1 431 . 7 1 1 A 36 36 GLU CA C 78 54.829 56.472 -1.643 1
1 432 . 7 1 1 A 36 36 GLU CB C 78 29.842 30.276 -0.434 1
1 434 . 7 1 1 A 36 36 GLU N N 78 126.891 127.044 -0.153 1
1 435 . 7 1 1 A 37 37 ASP H H 79 8.418 8.730 -0.312 1
1 436 . 7 1 1 A 37 37 ASP HA H 79 4.630 4.576 0.054 1
1 439 . 7 1 1 A 37 37 ASP C C 79 176.623 177.157 -0.534 1
1 440 . 7 1 1 A 37 37 ASP CA C 79 53.996 54.584 -0.588 1
1 441 . 7 1 1 A 37 37 ASP CB C 79 41.401 41.355 0.046 1
1 442 . 7 1 1 A 37 37 ASP N N 79 125.084 126.199 -1.115 1
1 443 . 7 1 1 A 38 38 LYS H H 80 8.691 8.306 0.385 1
1 444 . 7 1 1 A 38 38 LYS HA H 80 4.064 3.991 0.073 1
1 453 . 7 1 1 A 38 38 LYS C C 80 176.779 177.849 -1.070 1
1 454 . 7 1 1 A 38 38 LYS CA C 80 57.994 59.233 -1.239 1
1 455 . 7 1 1 A 38 38 LYS CB C 80 32.404 32.384 0.020 1
1 459 . 7 1 1 A 38 38 LYS N N 80 124.179 123.913 0.266 1
1 460 . 7 1 1 A 39 39 ASP H H 81 8.355 7.726 0.629 1
1 461 . 7 1 1 A 39 39 ASP HA H 81 4.591 4.648 -0.057 1
1 464 . 7 1 1 A 39 39 ASP C C 81 175.682 177.235 -1.553 1
1 465 . 7 1 1 A 39 39 ASP CA C 81 54.888 55.953 -1.065 1
1 466 . 7 1 1 A 39 39 ASP CB C 81 41.040 41.513 -0.473 1
1 467 . 7 1 1 A 39 39 ASP N N 81 117.392 117.654 -0.262 1
1 468 . 7 1 1 A 40 40 ASN H H 82 7.954 7.736 0.218 1
1 469 . 7 1 1 A 40 40 ASN HA H 82 4.785 4.847 -0.062 1
1 474 . 7 1 1 A 40 40 ASN C C 82 175.435 175.393 0.042 1
1 475 . 7 1 1 A 40 40 ASN CA C 82 53.032 53.545 -0.513 1
1 476 . 7 1 1 A 40 40 ASN CB C 82 38.471 38.847 -0.376 1
1 478 . 7 1 1 A 40 40 ASN N N 82 117.785 117.107 0.678 1
1 480 . 7 1 1 A 41 41 THR H H 83 8.518 8.941 -0.423 1
1 481 . 7 1 1 A 41 41 THR HA H 83 4.243 4.297 -0.054 1
1 486 . 7 1 1 A 41 41 THR C C 83 175.191 175.830 -0.639 1
1 487 . 7 1 1 A 41 41 THR CA C 83 63.584 64.107 -0.523 1
1 488 . 7 1 1 A 41 41 THR CB C 83 69.267 69.493 -0.226 1
1 490 . 7 1 1 A 41 41 THR N N 83 114.265 120.602 -6.337 1
1 491 . 7 1 1 A 42 42 SER H H 84 8.179 8.004 0.175 1
1 492 . 7 1 1 A 42 42 SER HA H 84 4.439 4.615 -0.176 1
1 495 . 7 1 1 A 42 42 SER C C 84 174.269 172.704 1.565 1
1 496 . 7 1 1 A 42 42 SER CA C 84 59.222 58.582 0.640 1
1 497 . 7 1 1 A 42 42 SER CB C 84 63.627 64.053 -0.426 1
1 498 . 7 1 1 A 42 42 SER N N 84 115.576 114.341 1.235 1
1 499 . 7 1 1 A 43 43 LYS H H 85 7.911 7.642 0.269 1
1 500 . 7 1 1 A 43 43 LYS HA H 85 4.460 4.913 -0.453 1
1 509 . 7 1 1 A 43 43 LYS C C 85 175.440 175.258 0.182 1
1 510 . 7 1 1 A 43 43 LYS CA C 85 55.961 54.713 1.248 1
1 511 . 7 1 1 A 43 43 LYS CB C 85 33.032 35.320 -2.288 1
1 515 . 7 1 1 A 43 43 LYS N N 85 123.691 120.152 3.539 1
1 516 . 7 1 1 A 44 44 THR H H 86 8.165 8.871 -0.706 1
1 517 . 7 1 1 A 44 44 THR HA H 86 4.904 5.367 -0.463 1
1 522 . 7 1 1 A 44 44 THR C C 86 173.685 173.184 0.501 1
1 523 . 7 1 1 A 44 44 THR CA C 86 60.794 60.196 0.598 1
1 524 . 7 1 1 A 44 44 THR CB C 86 71.046 71.327 -0.281 1
1 526 . 7 1 1 A 44 44 THR N N 86 117.392 115.850 1.542 1
1 527 . 7 1 1 A 45 45 VAL H H 87 8.155 8.575 -0.420 1
1 528 . 7 1 1 A 45 45 VAL HA H 87 4.402 4.388 0.014 1
1 536 . 7 1 1 A 45 45 VAL C C 87 174.343 175.211 -0.868 1
1 537 . 7 1 1 A 45 45 VAL CA C 87 60.551 61.084 -0.533 1
1 538 . 7 1 1 A 45 45 VAL CB C 87 35.225 33.971 1.254 1
1 541 . 7 1 1 A 45 45 VAL N N 87 123.105 124.897 -1.792 1
1 542 . 7 1 1 A 46 46 TRP H H 88 8.574 8.727 -0.153 1
1 543 . 7 1 1 A 46 46 TRP HA H 88 4.789 5.119 -0.330 1
1 552 . 7 1 1 A 46 46 TRP C C 88 175.287 176.701 -1.414 1
1 553 . 7 1 1 A 46 46 TRP CA C 88 57.716 57.135 0.581 1
1 554 . 7 1 1 A 46 46 TRP CB C 88 30.822 30.858 -0.036 1
1 560 . 7 1 1 A 46 46 TRP N N 88 126.326 127.508 -1.182 1
1 562 . 7 1 1 A 47 47 VAL H H 89 9.550 8.814 0.736 1
1 563 . 7 1 1 A 47 47 VAL HA H 89 4.884 4.881 0.003 1
1 571 . 7 1 1 A 47 47 VAL C C 89 173.675 174.438 -0.763 1
1 572 . 7 1 1 A 47 47 VAL CA C 89 60.713 61.080 -0.367 1
1 573 . 7 1 1 A 47 47 VAL CB C 89 33.847 33.555 0.292 1
1 576 . 7 1 1 A 47 47 VAL N N 89 123.380 122.250 1.130 1
1 577 . 7 1 1 A 48 48 LEU H H 90 8.757 9.032 -0.275 1
1 578 . 7 1 1 A 48 48 LEU HA H 90 5.181 4.815 0.366 1
1 588 . 7 1 1 A 48 48 LEU C C 90 175.118 175.143 -0.025 1
1 589 . 7 1 1 A 48 48 LEU CA C 90 53.567 53.697 -0.130 1
1 590 . 7 1 1 A 48 48 LEU CB C 90 45.758 42.837 2.921 1
1 594 . 7 1 1 A 48 48 LEU N N 90 125.653 129.904 -4.251 1
1 595 . 7 1 1 A 49 49 TYR H H 91 9.355 9.107 0.248 1
1 596 . 7 1 1 A 49 49 TYR HA H 91 5.196 5.154 0.042 1
1 603 . 7 1 1 A 49 49 TYR C C 91 172.437 174.236 -1.799 1
1 604 . 7 1 1 A 49 49 TYR CA C 91 56.490 56.766 -0.276 1
1 605 . 7 1 1 A 49 49 TYR CB C 91 41.602 39.584 2.018 1
1 610 . 7 1 1 A 49 49 TYR N N 91 129.351 128.853 0.498 1
1 611 . 7 1 1 A 50 50 LYS H H 92 7.805 8.033 -0.228 1
1 612 . 7 1 1 A 50 50 LYS HA H 92 4.450 4.662 -0.212 1
1 621 . 7 1 1 A 50 50 LYS C C 92 173.949 176.036 -2.087 1
1 622 . 7 1 1 A 50 50 LYS CA C 92 55.264 54.924 0.340 1
1 623 . 7 1 1 A 50 50 LYS CB C 92 32.484 32.895 -0.411 1
1 627 . 7 1 1 A 50 50 LYS N N 92 127.571 126.926 0.645 1
1 628 . 7 1 1 A 51 51 GLY H H 93 7.147 7.825 -0.678 1
1 629 . 7 1 1 A 51 51 GLY HA2 H 93 3.810 3.798 0.012 1
1 630 . 7 1 1 A 51 51 GLY HA3 H 93 3.609 3.994 -0.385 1
1 631 . 7 1 1 A 51 51 GLY C C 93 170.582 172.192 -1.610 1
1 632 . 7 1 1 A 51 51 GLY CA C 93 43.645 44.786 -1.141 1
1 633 . 7 1 1 A 51 51 GLY N N 93 111.723 110.237 1.486 1
1 634 . 7 1 1 A 52 52 ALA H H 94 8.185 8.283 -0.098 1
1 635 . 7 1 1 A 52 52 ALA HA H 94 4.273 4.347 -0.074 1
1 639 . 7 1 1 A 52 52 ALA C C 94 178.775 177.273 1.502 1
1 640 . 7 1 1 A 52 52 ALA CA C 94 52.381 52.362 0.019 1
1 641 . 7 1 1 A 52 52 ALA CB C 94 18.392 18.752 -0.360 1
1 642 . 7 1 1 A 52 52 ALA N N 94 119.165 123.089 -3.924 1
1 643 . 7 1 1 A 53 53 VAL H H 95 8.967 8.674 0.293 1
1 644 . 7 1 1 A 53 53 VAL HA H 95 4.200 4.504 -0.304 1
1 652 . 7 1 1 A 53 53 VAL C C 95 174.416 174.722 -0.306 1
1 653 . 7 1 1 A 53 53 VAL CA C 95 60.028 60.567 -0.539 1
1 654 . 7 1 1 A 53 53 VAL CB C 95 32.712 32.018 0.694 1
1 657 . 7 1 1 A 53 53 VAL N N 95 127.597 124.957 2.640 1
1 658 . 7 1 1 A 54 54 PRO HA H 96 4.609 4.583 0.026 1
1 665 . 7 1 1 A 54 54 PRO C C 96 177.752 177.056 0.696 1
1 666 . 7 1 1 A 54 54 PRO CA C 96 62.907 62.925 -0.018 1
1 667 . 7 1 1 A 54 54 PRO CB C 96 32.850 32.806 0.044 1
1 670 . 7 1 1 A 55 55 ASP H H 97 9.047 8.776 0.271 1
1 671 . 7 1 1 A 55 55 ASP HA H 97 4.459 4.325 0.134 1
1 674 . 7 1 1 A 55 55 ASP C C 97 176.541 177.461 -0.920 1
1 675 . 7 1 1 A 55 55 ASP CA C 97 56.434 55.878 0.556 1
1 676 . 7 1 1 A 55 55 ASP CB C 97 39.845 40.086 -0.241 1
1 677 . 7 1 1 A 55 55 ASP N N 97 122.223 123.145 -0.922 1
1 678 . 7 1 1 A 56 56 THR H H 98 7.196 7.606 -0.410 1
1 679 . 7 1 1 A 56 56 THR HA H 98 4.105 4.260 -0.155 1
1 684 . 7 1 1 A 56 56 THR C C 98 174.743 174.885 -0.142 1
1 685 . 7 1 1 A 56 56 THR CA C 98 60.857 64.509 -3.652 1
1 686 . 7 1 1 A 56 56 THR CB C 98 69.227 68.926 0.301 1
1 688 . 7 1 1 A 56 56 THR N N 98 105.196 109.999 -4.803 1
1 689 . 7 1 1 A 57 57 PHE H H 99 7.766 7.482 0.284 1
1 690 . 7 1 1 A 57 57 PHE HA H 99 3.752 4.397 -0.645 1
1 698 . 7 1 1 A 57 57 PHE C C 99 172.629 174.720 -2.091 1
1 699 . 7 1 1 A 57 57 PHE CA C 99 60.570 59.576 0.994 1
1 700 . 7 1 1 A 57 57 PHE CB C 99 40.156 39.743 0.413 1
1 706 . 7 1 1 A 57 57 PHE N N 99 122.514 123.952 -1.438 1
1 707 . 7 1 1 A 58 58 LYS H H 100 6.468 7.998 -1.530 1
1 708 . 7 1 1 A 58 58 LYS HA H 100 4.409 4.615 -0.206 1
1 717 . 7 1 1 A 58 58 LYS C C 100 171.564 172.814 -1.250 1
1 718 . 7 1 1 A 58 58 LYS CA C 100 53.643 54.216 -0.573 1
1 719 . 7 1 1 A 58 58 LYS CB C 100 32.382 34.554 -2.172 1
1 723 . 7 1 1 A 58 58 LYS N N 100 125.478 123.036 2.442 1
1 724 . 7 1 1 A 59 59 PRO HA H 101 3.708 4.089 -0.381 1
1 731 . 7 1 1 A 59 59 PRO C C 101 176.868 177.402 -0.534 1
1 732 . 7 1 1 A 59 59 PRO CA C 101 63.881 63.639 0.242 1
1 733 . 7 1 1 A 59 59 PRO CB C 101 31.168 31.219 -0.051 1
1 736 . 7 1 1 A 60 60 GLY H H 102 9.269 8.746 0.523 1
1 737 . 7 1 1 A 60 60 GLY HA2 H 102 4.299 3.874 0.425 1
1 738 . 7 1 1 A 60 60 GLY HA3 H 102 3.502 3.876 -0.374 1
1 739 . 7 1 1 A 60 60 GLY C C 102 174.023 174.445 -0.422 1
1 740 . 7 1 1 A 60 60 GLY CA C 102 45.005 45.098 -0.093 1
1 741 . 7 1 1 A 60 60 GLY N N 102 112.023 112.691 -0.668 1
1 742 . 7 1 1 A 61 61 VAL H H 103 7.321 7.477 -0.156 1
1 743 . 7 1 1 A 61 61 VAL HA H 103 4.279 4.046 0.233 1
1 751 . 7 1 1 A 61 61 VAL C C 103 174.073 175.581 -1.508 1
1 752 . 7 1 1 A 61 61 VAL CA C 103 61.277 61.998 -0.721 1
1 753 . 7 1 1 A 61 61 VAL CB C 103 32.882 32.392 0.490 1
1 756 . 7 1 1 A 61 61 VAL N N 103 118.571 121.741 -3.170 1
1 757 . 7 1 1 A 62 62 GLU H H 104 8.204 8.515 -0.311 1
1 758 . 7 1 1 A 62 62 GLU HA H 104 4.946 4.669 0.277 1
1 763 . 7 1 1 A 62 62 GLU C C 104 176.252 176.423 -0.171 1
1 764 . 7 1 1 A 62 62 GLU CA C 104 55.398 56.331 -0.933 1
1 765 . 7 1 1 A 62 62 GLU CB C 104 30.129 30.672 -0.543 1
1 767 . 7 1 1 A 62 62 GLU N N 104 123.214 126.681 -3.467 1
1 768 . 7 1 1 A 63 63 VAL H H 105 9.066 8.691 0.375 1
1 769 . 7 1 1 A 63 63 VAL HA H 105 5.297 4.935 0.362 1
1 777 . 7 1 1 A 63 63 VAL C C 105 173.913 174.358 -0.445 1
1 778 . 7 1 1 A 63 63 VAL CA C 105 58.284 59.127 -0.843 1
1 779 . 7 1 1 A 63 63 VAL CB C 105 36.265 35.698 0.567 1
1 782 . 7 1 1 A 63 63 VAL N N 105 115.526 118.312 -2.786 1
1 783 . 7 1 1 A 64 64 ILE H H 106 8.542 9.157 -0.615 1
1 784 . 7 1 1 A 64 64 ILE HA H 106 4.775 4.692 0.083 1
1 794 . 7 1 1 A 64 64 ILE C C 106 176.511 174.883 1.628 1
1 795 . 7 1 1 A 64 64 ILE CA C 106 60.804 60.156 0.648 1
1 796 . 7 1 1 A 64 64 ILE CB C 106 40.991 39.462 1.529 1
1 800 . 7 1 1 A 64 64 ILE N N 106 120.283 123.505 -3.222 1
1 801 . 7 1 1 A 65 65 ILE H H 107 8.944 8.326 0.618 1
1 802 . 7 1 1 A 65 65 ILE HA H 107 5.197 4.994 0.203 1
1 812 . 7 1 1 A 65 65 ILE C C 107 174.076 174.733 -0.657 1
1 813 . 7 1 1 A 65 65 ILE CA C 107 58.384 59.511 -1.127 1
1 814 . 7 1 1 A 65 65 ILE CB C 107 42.082 39.423 2.659 1
1 818 . 7 1 1 A 65 65 ILE N N 107 122.157 124.045 -1.888 1
1 819 . 7 1 1 A 66 66 GLU H H 108 7.762 8.829 -1.067 1
1 820 . 7 1 1 A 66 66 GLU HA H 108 5.801 5.417 0.384 1
1 825 . 7 1 1 A 66 66 GLU C C 108 176.789 176.101 0.688 1
1 826 . 7 1 1 A 66 66 GLU CA C 108 54.063 54.933 -0.870 1
1 827 . 7 1 1 A 66 66 GLU CB C 108 32.818 33.022 -0.204 1
1 829 . 7 1 1 A 66 66 GLU N N 108 119.473 123.681 -4.208 1
1 830 . 7 1 1 A 67 67 GLY H H 109 9.064 8.592 0.472 1
1 831 . 7 1 1 A 67 67 GLY HA2 H 109 4.773 4.139 0.634 1
1 832 . 7 1 1 A 67 67 GLY HA3 H 109 3.948 4.250 -0.302 1
1 833 . 7 1 1 A 67 67 GLY C C 109 170.431 172.108 -1.677 1
1 834 . 7 1 1 A 67 67 GLY CA C 109 46.598 46.032 0.566 1
1 835 . 7 1 1 A 67 67 GLY N N 109 112.366 110.514 1.852 1
1 836 . 7 1 1 A 68 68 GLY H H 110 7.116 7.517 -0.401 1
1 837 . 7 1 1 A 68 68 GLY HA2 H 110 3.949 3.942 0.007 1
1 838 . 7 1 1 A 68 68 GLY HA3 H 110 3.732 3.952 -0.220 1
1 839 . 7 1 1 A 68 68 GLY C C 110 170.827 171.387 -0.560 1
1 840 . 7 1 1 A 68 68 GLY CA C 110 45.228 45.569 -0.341 1
1 841 . 7 1 1 A 68 68 GLY N N 110 109.402 109.670 -0.268 1
1 842 . 7 1 1 A 69 69 LEU H H 111 8.542 8.560 -0.018 1
1 843 . 7 1 1 A 69 69 LEU HA H 111 4.546 4.763 -0.217 1
1 853 . 7 1 1 A 69 69 LEU C C 111 175.890 175.933 -0.043 1
1 854 . 7 1 1 A 69 69 LEU CA C 111 54.400 53.926 0.474 1
1 855 . 7 1 1 A 69 69 LEU CB C 111 43.814 44.133 -0.319 1
1 859 . 7 1 1 A 69 69 LEU N N 111 122.808 123.824 -1.016 1
1 860 . 7 1 1 A 70 70 ALA H H 112 8.889 8.576 0.313 1
1 861 . 7 1 1 A 70 70 ALA HA H 112 4.639 4.497 0.142 1
1 865 . 7 1 1 A 70 70 ALA C C 112 174.900 177.487 -2.587 1
1 866 . 7 1 1 A 70 70 ALA CA C 112 49.951 50.514 -0.563 1
1 867 . 7 1 1 A 70 70 ALA CB C 112 18.111 18.626 -0.515 1
1 868 . 7 1 1 A 70 70 ALA N N 112 130.675 129.225 1.450 1
1 869 . 7 1 1 A 71 71 PRO HA H 113 4.338 4.400 -0.062 1
1 876 . 7 1 1 A 71 71 PRO C C 113 178.206 177.461 0.745 1
1 877 . 7 1 1 A 71 71 PRO CA C 113 64.055 63.976 0.079 1
1 878 . 7 1 1 A 71 71 PRO CB C 113 31.754 31.979 -0.225 1
1 881 . 7 1 1 A 72 72 GLY H H 114 8.748 8.344 0.404 1
1 882 . 7 1 1 A 72 72 GLY HA2 H 114 4.165 3.958 0.207 1
1 883 . 7 1 1 A 72 72 GLY HA3 H 114 3.775 3.962 -0.187 1
1 884 . 7 1 1 A 72 72 GLY C C 114 174.200 173.787 0.413 1
1 885 . 7 1 1 A 72 72 GLY CA C 114 45.602 45.106 0.496 1
1 886 . 7 1 1 A 72 72 GLY N N 114 111.945 106.633 5.312 1
1 887 . 7 1 1 A 73 73 GLU H H 115 7.931 7.806 0.125 1
1 888 . 7 1 1 A 73 73 GLU HA H 115 4.581 4.559 0.022 1
1 893 . 7 1 1 A 73 73 GLU C C 115 175.843 176.365 -0.522 1
1 894 . 7 1 1 A 73 73 GLU CA C 115 55.732 54.752 0.980 1
1 895 . 7 1 1 A 73 73 GLU CB C 115 31.128 31.559 -0.431 1
1 897 . 7 1 1 A 73 73 GLU N N 115 118.591 121.124 -2.533 1
1 898 . 7 1 1 A 74 74 ASP H H 116 8.467 9.034 -0.567 1
1 899 . 7 1 1 A 74 74 ASP HA H 116 4.823 4.505 0.318 1
1 902 . 7 1 1 A 74 74 ASP C C 116 175.848 175.783 0.065 1
1 903 . 7 1 1 A 74 74 ASP CA C 116 53.831 55.596 -1.765 1
1 904 . 7 1 1 A 74 74 ASP CB C 116 41.052 40.427 0.625 1
1 905 . 7 1 1 A 74 74 ASP N N 116 118.021 125.316 -7.295 1
1 906 . 7 1 1 A 75 75 THR H H 117 7.301 7.722 -0.421 1
1 907 . 7 1 1 A 75 75 THR HA H 117 4.620 4.847 -0.227 1
1 912 . 7 1 1 A 75 75 THR C C 117 172.120 173.617 -1.497 1
1 913 . 7 1 1 A 75 75 THR CA C 117 61.907 61.587 0.320 1
1 914 . 7 1 1 A 75 75 THR CB C 117 71.398 69.869 1.529 1
1 916 . 7 1 1 A 75 75 THR N N 117 114.820 115.571 -0.751 1
1 917 . 7 1 1 A 76 76 PHE H H 118 9.657 9.190 0.467 1
1 918 . 7 1 1 A 76 76 PHE HA H 118 4.290 4.586 -0.296 1
1 926 . 7 1 1 A 76 76 PHE C C 118 174.118 174.195 -0.077 1
1 927 . 7 1 1 A 76 76 PHE CA C 118 58.185 57.372 0.813 1
1 928 . 7 1 1 A 76 76 PHE CB C 118 40.718 39.292 1.426 1
1 934 . 7 1 1 A 76 76 PHE N N 118 130.378 129.445 0.933 1
1 935 . 7 1 1 A 77 77 LYS H H 119 8.364 8.385 -0.021 1
1 936 . 7 1 1 A 77 77 LYS HA H 119 4.853 4.710 0.143 1
1 945 . 7 1 1 A 77 77 LYS C C 119 175.278 174.568 0.710 1
1 946 . 7 1 1 A 77 77 LYS CA C 119 55.282 55.684 -0.402 1
1 947 . 7 1 1 A 77 77 LYS CB C 119 31.319 32.627 -1.308 1
1 951 . 7 1 1 A 77 77 LYS N N 119 129.777 128.920 0.857 1
1 952 . 7 1 1 A 78 78 ALA H H 120 8.837 8.536 0.301 1
1 953 . 7 1 1 A 78 78 ALA HA H 120 4.828 4.457 0.371 1
1 957 . 7 1 1 A 78 78 ALA C C 120 176.015 177.582 -1.567 1
1 958 . 7 1 1 A 78 78 ALA CA C 120 51.435 52.518 -1.083 1
1 959 . 7 1 1 A 78 78 ALA CB C 120 20.006 19.378 0.628 1
1 960 . 7 1 1 A 78 78 ALA N N 120 129.771 129.632 0.139 1
1 961 . 7 1 1 A 79 79 ARG H H 121 9.846 8.860 0.986 1
1 962 . 7 1 1 A 79 79 ARG HA H 121 4.582 4.305 0.277 1
1 970 . 7 1 1 A 79 79 ARG C C 121 176.651 176.217 0.434 1
1 971 . 7 1 1 A 79 79 ARG CA C 121 57.420 57.796 -0.376 1
1 972 . 7 1 1 A 79 79 ARG CB C 121 31.773 31.323 0.450 1
1 975 . 7 1 1 A 79 79 ARG N N 121 125.113 124.576 0.537 1
1 977 . 7 1 1 A 80 80 THR H H 122 7.938 8.146 -0.208 1
1 978 . 7 1 1 A 80 80 THR HA H 122 4.921 5.119 -0.198 1
1 983 . 7 1 1 A 80 80 THR C C 122 172.002 172.937 -0.935 1
1 984 . 7 1 1 A 80 80 THR CA C 122 60.475 60.246 0.229 1
1 985 . 7 1 1 A 80 80 THR CB C 122 72.093 71.849 0.244 1
1 987 . 7 1 1 A 80 80 THR N N 122 109.595 108.647 0.948 1
1 988 . 7 1 1 A 81 81 LEU H H 123 8.196 9.110 -0.914 1
1 989 . 7 1 1 A 81 81 LEU HA H 123 4.701 5.100 -0.399 1
1 999 . 7 1 1 A 81 81 LEU C C 123 173.804 174.780 -0.976 1
1 1000 . 7 1 1 A 81 81 LEU CA C 123 55.357 53.292 2.065 1
1 1001 . 7 1 1 A 81 81 LEU CB C 123 44.009 44.473 -0.464 1
1 1005 . 7 1 1 A 81 81 LEU N N 123 123.214 125.429 -2.215 1
1 1006 . 7 1 1 A 82 82 MET H H 124 8.700 8.501 0.199 1
1 1007 . 7 1 1 A 82 82 MET HA H 124 4.841 4.904 -0.063 1
1 1015 . 7 1 1 A 82 82 MET C C 124 175.097 175.406 -0.309 1
1 1016 . 7 1 1 A 82 82 MET CA C 124 54.190 54.157 0.033 1
1 1017 . 7 1 1 A 82 82 MET CB C 124 36.191 34.452 1.739 1
1 1020 . 7 1 1 A 82 82 MET N N 124 124.452 125.442 -0.990 1
1 1021 . 7 1 1 A 83 83 THR H H 125 8.671 8.781 -0.110 1
1 1022 . 7 1 1 A 83 83 THR HA H 125 4.934 4.498 0.436 1
1 1027 . 7 1 1 A 83 83 THR C C 125 174.094 175.869 -1.775 1
1 1028 . 7 1 1 A 83 83 THR CA C 125 60.253 61.893 -1.640 1
1 1029 . 7 1 1 A 83 83 THR CB C 125 69.831 69.959 -0.128 1
1 1031 . 7 1 1 A 83 83 THR N N 125 113.070 117.458 -4.388 1
1 1032 . 7 1 1 A 84 84 LYS H H 126 8.419 8.869 -0.450 1
1 1033 . 7 1 1 A 84 84 LYS HA H 126 4.446 4.170 0.276 1
1 1042 . 7 1 1 A 84 84 LYS C C 126 175.461 177.135 -1.674 1
1 1043 . 7 1 1 A 84 84 LYS CA C 126 55.500 59.088 -3.588 1
1 1044 . 7 1 1 A 84 84 LYS CB C 126 33.736 32.836 0.900 1
1 1048 . 7 1 1 A 84 84 LYS N N 126 123.139 123.843 -0.704 1
1 1049 . 7 1 1 A 85 85 CYS H H 127 8.543 7.730 0.813 1
1 1050 . 7 1 1 A 85 85 CYS HA H 127 4.795 4.617 0.178 1
1 1053 . 7 1 1 A 85 85 CYS C C 127 172.809 174.073 -1.264 1
1 1054 . 7 1 1 A 85 85 CYS CA C 127 56.423 57.454 -1.031 1
1 1055 . 7 1 1 A 85 85 CYS CB C 127 27.739 28.312 -0.573 1
1 1056 . 7 1 1 A 85 85 CYS N N 127 123.709 117.804 5.905 1
1 1057 . 7 1 1 A 86 86 PRO HA H 128 4.439 4.663 -0.224 1
1 1064 . 7 1 1 A 86 86 PRO C C 128 176.560 176.288 0.272 1
1 1065 . 7 1 1 A 86 86 PRO CA C 128 63.292 62.195 1.097 1
1 1066 . 7 1 1 A 86 86 PRO CB C 128 32.165 32.992 -0.827 1
1 1069 . 7 1 1 A 87 87 LEU H H 129 8.274 8.315 -0.041 1
1 1070 . 7 1 1 A 87 87 LEU HA H 129 4.256 4.305 -0.049 1
1 1080 . 7 1 1 A 87 87 LEU C C 129 177.141 176.490 0.651 1
1 1081 . 7 1 1 A 87 87 LEU CA C 129 55.281 55.439 -0.158 1
1 1082 . 7 1 1 A 87 87 LEU CB C 129 42.299 42.265 0.034 1
1 1086 . 7 1 1 A 87 87 LEU N N 129 122.188 122.394 -0.206 1
1 1 . 8 1 1 A 2 2 ALA HA H 44 4.214 4.488 -0.274 1
1 5 . 8 1 1 A 2 2 ALA C C 44 173.758 176.779 -3.021 1
1 6 . 8 1 1 A 2 2 ALA CA C 44 51.848 52.114 -0.266 1
1 7 . 8 1 1 A 2 2 ALA CB C 44 19.505 18.891 0.614 1
1 8 . 8 1 1 A 3 3 THR H H 45 8.709 9.000 -0.291 1
1 9 . 8 1 1 A 3 3 THR HA H 45 4.694 5.009 -0.315 1
1 14 . 8 1 1 A 3 3 THR CA C 45 60.191 59.069 1.122 1
1 15 . 8 1 1 A 3 3 THR CB C 45 69.815 69.991 -0.176 1
1 17 . 8 1 1 A 3 3 THR N N 45 116.649 119.515 -2.866 1
1 18 . 8 1 1 A 4 4 PRO HA H 46 4.412 4.728 -0.316 1
1 25 . 8 1 1 A 4 4 PRO C C 46 177.212 175.755 1.457 1
1 26 . 8 1 1 A 4 4 PRO CA C 46 63.698 62.253 1.445 1
1 27 . 8 1 1 A 4 4 PRO CB C 46 32.117 32.297 -0.180 1
1 30 . 8 1 1 A 5 5 GLN H H 47 8.463 8.683 -0.220 1
1 31 . 8 1 1 A 5 5 GLN HA H 47 4.260 4.558 -0.298 1
1 38 . 8 1 1 A 5 5 GLN C C 47 176.073 175.751 0.322 1
1 39 . 8 1 1 A 5 5 GLN CA C 47 56.328 55.727 0.601 1
1 40 . 8 1 1 A 5 5 GLN CB C 47 29.286 29.381 -0.095 1
1 43 . 8 1 1 A 5 5 GLN N N 47 119.945 120.559 -0.614 1
1 45 . 8 1 1 A 6 6 ASP H H 48 8.276 9.025 -0.749 1
1 46 . 8 1 1 A 6 6 ASP HA H 48 4.558 4.700 -0.142 1
1 49 . 8 1 1 A 6 6 ASP C C 48 176.454 178.116 -1.662 1
1 50 . 8 1 1 A 6 6 ASP CA C 48 54.538 56.068 -1.530 1
1 51 . 8 1 1 A 6 6 ASP CB C 48 40.873 40.583 0.290 1
1 52 . 8 1 1 A 6 6 ASP N N 48 120.974 125.281 -4.307 1
1 53 . 8 1 1 A 7 7 LYS H H 49 8.218 7.962 0.256 1
1 54 . 8 1 1 A 7 7 LYS HA H 49 4.264 4.154 0.110 1
1 63 . 8 1 1 A 7 7 LYS C C 49 176.665 177.999 -1.334 1
1 64 . 8 1 1 A 7 7 LYS CA C 49 56.655 59.518 -2.863 1
1 65 . 8 1 1 A 7 7 LYS CB C 49 32.837 32.354 0.483 1
1 69 . 8 1 1 A 7 7 LYS N N 49 120.950 118.981 1.969 1
1 70 . 8 1 1 A 8 8 LEU H H 50 8.010 7.573 0.437 1
1 71 . 8 1 1 A 8 8 LEU HA H 50 4.279 4.485 -0.206 1
1 81 . 8 1 1 A 8 8 LEU C C 50 177.110 175.732 1.378 1
1 82 . 8 1 1 A 8 8 LEU CA C 50 55.353 54.197 1.156 1
1 83 . 8 1 1 A 8 8 LEU CB C 50 42.302 39.776 2.526 1
1 87 . 8 1 1 A 8 8 LEU N N 50 121.105 119.641 1.464 1
1 88 . 8 1 1 A 9 9 HIS H H 51 8.411 8.338 0.073 1
1 89 . 8 1 1 A 9 9 HIS HA H 51 4.780 4.942 -0.162 1
1 92 . 8 1 1 A 9 9 HIS C C 51 174.285 174.004 0.281 1
1 93 . 8 1 1 A 9 9 HIS CA C 51 55.320 54.556 0.764 1
1 94 . 8 1 1 A 9 9 HIS CB C 51 28.827 29.423 -0.596 1
1 95 . 8 1 1 A 9 9 HIS N N 51 119.035 123.274 -4.239 1
1 96 . 8 1 1 A 10 10 THR H H 52 8.178 8.403 -0.225 1
1 97 . 8 1 1 A 10 10 THR HA H 52 4.488 5.034 -0.546 1
1 102 . 8 1 1 A 10 10 THR C C 52 173.766 173.272 0.494 1
1 103 . 8 1 1 A 10 10 THR CA C 52 62.392 61.551 0.841 1
1 104 . 8 1 1 A 10 10 THR CB C 52 70.104 71.989 -1.885 1
1 106 . 8 1 1 A 10 10 THR N N 52 117.285 116.839 0.446 1
1 107 . 8 1 1 A 11 11 VAL H H 53 9.088 9.006 0.082 1
1 108 . 8 1 1 A 11 11 VAL HA H 53 4.464 4.625 -0.161 1
1 116 . 8 1 1 A 11 11 VAL C C 53 174.048 174.332 -0.284 1
1 117 . 8 1 1 A 11 11 VAL CA C 53 61.359 61.276 0.083 1
1 118 . 8 1 1 A 11 11 VAL CB C 53 34.602 33.258 1.344 1
1 121 . 8 1 1 A 11 11 VAL N N 53 123.969 126.982 -3.013 1
1 122 . 8 1 1 A 12 12 ARG H H 54 8.386 9.118 -0.732 1
1 123 . 8 1 1 A 12 12 ARG HA H 54 5.495 5.286 0.209 1
1 131 . 8 1 1 A 12 12 ARG C C 54 175.364 174.580 0.784 1
1 132 . 8 1 1 A 12 12 ARG CA C 54 54.401 54.369 0.032 1
1 133 . 8 1 1 A 12 12 ARG CB C 54 32.753 33.098 -0.345 1
1 136 . 8 1 1 A 12 12 ARG N N 54 125.294 128.450 -3.156 1
1 138 . 8 1 1 A 13 13 LEU H H 55 8.828 8.650 0.178 1
1 139 . 8 1 1 A 13 13 LEU HA H 55 4.726 4.981 -0.255 1
1 149 . 8 1 1 A 13 13 LEU C C 55 174.223 175.090 -0.867 1
1 150 . 8 1 1 A 13 13 LEU CA C 55 53.309 52.917 0.392 1
1 151 . 8 1 1 A 13 13 LEU CB C 55 45.884 45.452 0.432 1
1 155 . 8 1 1 A 13 13 LEU N N 55 124.874 127.376 -2.502 1
1 156 . 8 1 1 A 14 14 PHE H H 56 8.195 8.754 -0.559 1
1 157 . 8 1 1 A 14 14 PHE HA H 56 5.576 5.349 0.227 1
1 165 . 8 1 1 A 14 14 PHE C C 56 175.266 175.313 -0.047 1
1 166 . 8 1 1 A 14 14 PHE CA C 56 55.009 55.944 -0.935 1
1 167 . 8 1 1 A 14 14 PHE CB C 56 42.340 42.507 -0.167 1
1 173 . 8 1 1 A 14 14 PHE N N 56 118.334 119.665 -1.331 1
1 174 . 8 1 1 A 15 15 GLY H H 57 8.134 8.090 0.044 1
1 175 . 8 1 1 A 15 15 GLY HA2 H 57 4.229 4.248 -0.019 1
1 176 . 8 1 1 A 15 15 GLY HA3 H 57 4.004 4.261 -0.257 1
1 177 . 8 1 1 A 15 15 GLY C C 57 171.108 171.687 -0.579 1
1 178 . 8 1 1 A 15 15 GLY CA C 57 45.857 46.213 -0.356 1
1 179 . 8 1 1 A 15 15 GLY N N 57 109.159 109.230 -0.071 1
1 180 . 8 1 1 A 16 16 THR H H 58 8.595 8.462 0.133 1
1 181 . 8 1 1 A 16 16 THR HA H 58 5.114 5.155 -0.041 1
1 186 . 8 1 1 A 16 16 THR C C 58 174.484 173.898 0.586 1
1 187 . 8 1 1 A 16 16 THR CA C 58 60.591 61.404 -0.813 1
1 188 . 8 1 1 A 16 16 THR CB C 58 71.164 71.347 -0.183 1
1 190 . 8 1 1 A 16 16 THR N N 58 113.580 115.637 -2.057 1
1 191 . 8 1 1 A 17 17 VAL H H 59 8.053 8.611 -0.558 1
1 192 . 8 1 1 A 17 17 VAL HA H 59 3.876 4.192 -0.316 1
1 200 . 8 1 1 A 17 17 VAL C C 59 176.315 175.876 0.439 1
1 201 . 8 1 1 A 17 17 VAL CA C 59 63.549 63.035 0.514 1
1 202 . 8 1 1 A 17 17 VAL CB C 59 32.779 31.598 1.181 1
1 205 . 8 1 1 A 17 17 VAL N N 59 124.410 126.948 -2.538 1
1 206 . 8 1 1 A 18 18 ALA H H 60 8.931 8.755 0.176 1
1 207 . 8 1 1 A 18 18 ALA HA H 60 4.354 4.373 -0.019 1
1 211 . 8 1 1 A 18 18 ALA C C 60 177.293 177.961 -0.668 1
1 212 . 8 1 1 A 18 18 ALA CA C 60 52.138 52.128 0.010 1
1 213 . 8 1 1 A 18 18 ALA CB C 60 19.782 19.308 0.474 1
1 214 . 8 1 1 A 18 18 ALA N N 60 133.912 129.585 4.327 1
1 215 . 8 1 1 A 19 19 ALA H H 61 8.548 8.723 -0.175 1
1 216 . 8 1 1 A 19 19 ALA HA H 61 4.105 4.198 -0.093 1
1 220 . 8 1 1 A 19 19 ALA C C 61 178.793 177.708 1.085 1
1 221 . 8 1 1 A 19 19 ALA CA C 61 54.218 54.518 -0.300 1
1 222 . 8 1 1 A 19 19 ALA CB C 61 18.969 19.053 -0.084 1
1 223 . 8 1 1 A 19 19 ALA N N 61 121.667 124.205 -2.538 1
1 224 . 8 1 1 A 20 20 ASP H H 62 8.117 7.896 0.221 1
1 225 . 8 1 1 A 20 20 ASP HA H 62 4.602 4.558 0.044 1
1 228 . 8 1 1 A 20 20 ASP C C 62 177.210 177.113 0.097 1
1 229 . 8 1 1 A 20 20 ASP CA C 62 54.575 55.544 -0.969 1
1 230 . 8 1 1 A 20 20 ASP CB C 62 41.188 39.863 1.325 1
1 231 . 8 1 1 A 20 20 ASP N N 62 115.534 118.040 -2.506 1
1 232 . 8 1 1 A 21 21 GLY H H 63 8.996 8.981 0.015 1
1 233 . 8 1 1 A 21 21 GLY HA2 H 63 4.311 4.160 0.151 1
1 234 . 8 1 1 A 21 21 GLY HA3 H 63 3.888 4.245 -0.357 1
1 235 . 8 1 1 A 21 21 GLY C C 63 173.384 174.515 -1.131 1
1 236 . 8 1 1 A 21 21 GLY CA C 63 46.124 46.745 -0.621 1
1 237 . 8 1 1 A 21 21 GLY N N 63 112.754 112.463 0.291 1
1 238 . 8 1 1 A 22 22 LEU H H 64 7.380 7.821 -0.441 1
1 239 . 8 1 1 A 22 22 LEU HA H 64 4.964 5.246 -0.282 1
1 249 . 8 1 1 A 22 22 LEU C C 64 178.011 174.913 3.098 1
1 250 . 8 1 1 A 22 22 LEU CA C 64 57.159 53.768 3.391 1
1 251 . 8 1 1 A 22 22 LEU CB C 64 42.160 43.987 -1.827 1
1 255 . 8 1 1 A 22 22 LEU N N 64 123.991 121.987 2.004 1
1 256 . 8 1 1 A 23 23 THR H H 65 9.752 9.234 0.518 1
1 257 . 8 1 1 A 23 23 THR HA H 65 4.755 4.929 -0.174 1
1 262 . 8 1 1 A 23 23 THR C C 65 173.249 173.902 -0.653 1
1 263 . 8 1 1 A 23 23 THR CA C 65 61.231 62.253 -1.022 1
1 264 . 8 1 1 A 23 23 THR CB C 65 71.995 69.792 2.203 1
1 266 . 8 1 1 A 23 23 THR N N 65 124.024 122.833 1.191 1
1 267 . 8 1 1 A 24 24 MET H H 66 8.881 8.669 0.212 1
1 268 . 8 1 1 A 24 24 MET HA H 66 5.019 4.917 0.102 1
1 276 . 8 1 1 A 24 24 MET C C 66 176.750 176.228 0.522 1
1 277 . 8 1 1 A 24 24 MET CA C 66 54.452 54.014 0.438 1
1 278 . 8 1 1 A 24 24 MET CB C 66 31.809 32.994 -1.185 1
1 281 . 8 1 1 A 24 24 MET N N 66 125.215 126.705 -1.490 1
1 282 . 8 1 1 A 25 25 LEU H H 67 8.037 8.494 -0.457 1
1 283 . 8 1 1 A 25 25 LEU HA H 67 4.253 4.240 0.013 1
1 293 . 8 1 1 A 25 25 LEU C C 67 176.617 176.391 0.226 1
1 294 . 8 1 1 A 25 25 LEU CA C 67 55.259 55.407 -0.148 1
1 295 . 8 1 1 A 25 25 LEU CB C 67 41.019 41.678 -0.659 1
1 299 . 8 1 1 A 25 25 LEU N N 67 123.282 124.048 -0.766 1
1 300 . 8 1 1 A 26 26 ASP H H 68 8.419 8.847 -0.428 1
1 301 . 8 1 1 A 26 26 ASP HA H 68 4.695 4.678 0.017 1
1 304 . 8 1 1 A 26 26 ASP C C 68 176.728 177.425 -0.697 1
1 305 . 8 1 1 A 26 26 ASP CA C 68 53.907 55.213 -1.306 1
1 306 . 8 1 1 A 26 26 ASP CB C 68 41.338 40.741 0.597 1
1 307 . 8 1 1 A 26 26 ASP N N 68 120.434 123.995 -3.561 1
1 308 . 8 1 1 A 27 27 GLY H H 69 8.607 8.829 -0.222 1
1 309 . 8 1 1 A 27 27 GLY HA2 H 69 4.055 3.873 0.182 1
1 310 . 8 1 1 A 27 27 GLY HA3 H 69 3.665 3.875 -0.210 1
1 311 . 8 1 1 A 27 27 GLY C C 69 173.151 173.217 -0.066 1
1 312 . 8 1 1 A 27 27 GLY CA C 69 45.895 45.818 0.077 1
1 313 . 8 1 1 A 27 27 GLY N N 69 112.545 111.410 1.135 1
1 314 . 8 1 1 A 28 28 ALA H H 70 7.634 7.495 0.139 1
1 315 . 8 1 1 A 28 28 ALA HA H 70 4.575 4.685 -0.110 1
1 319 . 8 1 1 A 28 28 ALA C C 70 174.090 174.217 -0.127 1
1 320 . 8 1 1 A 28 28 ALA CA C 70 50.137 49.936 0.201 1
1 321 . 8 1 1 A 28 28 ALA CB C 70 19.221 21.614 -2.393 1
1 322 . 8 1 1 A 28 28 ALA N N 70 125.545 119.833 5.712 1
1 323 . 8 1 1 A 29 29 PRO HA H 71 4.462 4.643 -0.181 1
1 330 . 8 1 1 A 29 29 PRO C C 71 176.671 176.081 0.590 1
1 331 . 8 1 1 A 29 29 PRO CA C 71 63.021 63.511 -0.490 1
1 332 . 8 1 1 A 29 29 PRO CB C 71 32.015 31.559 0.456 1
1 335 . 8 1 1 A 30 30 GLY H H 72 7.988 7.939 0.049 1
1 336 . 8 1 1 A 30 30 GLY HA2 H 72 5.001 4.051 0.950 1
1 337 . 8 1 1 A 30 30 GLY HA3 H 72 3.991 4.055 -0.064 1
1 338 . 8 1 1 A 30 30 GLY C C 72 172.906 171.208 1.698 1
1 339 . 8 1 1 A 30 30 GLY CA C 72 45.642 45.289 0.353 1
1 340 . 8 1 1 A 30 30 GLY N N 72 109.355 109.451 -0.096 1
1 341 . 8 1 1 A 31 31 VAL H H 73 9.332 8.559 0.773 1
1 342 . 8 1 1 A 31 31 VAL HA H 73 5.194 5.107 0.087 1
1 350 . 8 1 1 A 31 31 VAL C C 73 171.443 173.423 -1.980 1
1 351 . 8 1 1 A 31 31 VAL CA C 73 60.233 59.581 0.652 1
1 352 . 8 1 1 A 31 31 VAL CB C 73 35.471 35.916 -0.445 1
1 355 . 8 1 1 A 31 31 VAL N N 73 116.539 118.301 -1.762 1
1 356 . 8 1 1 A 32 32 ARG H H 74 8.956 8.818 0.138 1
1 357 . 8 1 1 A 32 32 ARG HA H 74 5.999 5.766 0.233 1
1 365 . 8 1 1 A 32 32 ARG C C 74 174.581 174.688 -0.107 1
1 366 . 8 1 1 A 32 32 ARG CA C 74 54.187 54.672 -0.485 1
1 367 . 8 1 1 A 32 32 ARG CB C 74 33.463 34.112 -0.649 1
1 370 . 8 1 1 A 32 32 ARG N N 74 127.557 127.286 0.271 1
1 372 . 8 1 1 A 33 33 PHE H H 75 9.262 8.623 0.639 1
1 373 . 8 1 1 A 33 33 PHE HA H 75 5.461 5.481 -0.020 1
1 381 . 8 1 1 A 33 33 PHE C C 75 171.210 172.190 -0.980 1
1 382 . 8 1 1 A 33 33 PHE CA C 75 55.947 56.093 -0.146 1
1 383 . 8 1 1 A 33 33 PHE CB C 75 41.151 41.478 -0.327 1
1 389 . 8 1 1 A 33 33 PHE N N 75 120.514 120.510 0.004 1
1 390 . 8 1 1 A 34 34 ARG H H 76 9.921 8.866 1.055 1
1 391 . 8 1 1 A 34 34 ARG HA H 76 4.368 4.352 0.016 1
1 399 . 8 1 1 A 34 34 ARG C C 76 173.994 175.555 -1.561 1
1 400 . 8 1 1 A 34 34 ARG CA C 76 54.594 55.157 -0.563 1
1 401 . 8 1 1 A 34 34 ARG CB C 76 31.539 30.792 0.747 1
1 404 . 8 1 1 A 34 34 ARG N N 76 122.011 120.821 1.190 1
1 406 . 8 1 1 A 35 35 LEU H H 77 8.781 8.689 0.092 1
1 407 . 8 1 1 A 35 35 LEU HA H 77 4.755 4.614 0.141 1
1 417 . 8 1 1 A 35 35 LEU C C 77 176.305 175.215 1.090 1
1 418 . 8 1 1 A 35 35 LEU CA C 77 53.188 55.583 -2.395 1
1 419 . 8 1 1 A 35 35 LEU CB C 77 44.689 42.637 2.052 1
1 423 . 8 1 1 A 35 35 LEU N N 77 127.038 128.667 -1.629 1
1 424 . 8 1 1 A 36 36 GLU H H 78 9.342 8.915 0.427 1
1 425 . 8 1 1 A 36 36 GLU HA H 78 4.531 4.848 -0.317 1
1 430 . 8 1 1 A 36 36 GLU C C 78 175.380 175.470 -0.090 1
1 431 . 8 1 1 A 36 36 GLU CA C 78 54.829 54.819 0.010 1
1 432 . 8 1 1 A 36 36 GLU CB C 78 29.842 30.988 -1.146 1
1 434 . 8 1 1 A 36 36 GLU N N 78 126.891 125.667 1.224 1
1 435 . 8 1 1 A 37 37 ASP H H 79 8.418 8.838 -0.420 1
1 436 . 8 1 1 A 37 37 ASP HA H 79 4.630 4.564 0.066 1
1 439 . 8 1 1 A 37 37 ASP C C 79 176.623 177.395 -0.772 1
1 440 . 8 1 1 A 37 37 ASP CA C 79 53.996 54.751 -0.755 1
1 441 . 8 1 1 A 37 37 ASP CB C 79 41.401 41.096 0.305 1
1 442 . 8 1 1 A 37 37 ASP N N 79 125.084 126.188 -1.104 1
1 443 . 8 1 1 A 38 38 LYS H H 80 8.691 8.956 -0.265 1
1 444 . 8 1 1 A 38 38 LYS HA H 80 4.064 3.876 0.188 1
1 453 . 8 1 1 A 38 38 LYS C C 80 176.779 177.903 -1.124 1
1 454 . 8 1 1 A 38 38 LYS CA C 80 57.994 59.972 -1.978 1
1 455 . 8 1 1 A 38 38 LYS CB C 80 32.404 32.119 0.285 1
1 459 . 8 1 1 A 38 38 LYS N N 80 124.179 124.286 -0.107 1
1 460 . 8 1 1 A 39 39 ASP H H 81 8.355 7.931 0.424 1
1 461 . 8 1 1 A 39 39 ASP HA H 81 4.591 4.667 -0.076 1
1 464 . 8 1 1 A 39 39 ASP C C 81 175.682 177.177 -1.495 1
1 465 . 8 1 1 A 39 39 ASP CA C 81 54.888 55.875 -0.987 1
1 466 . 8 1 1 A 39 39 ASP CB C 81 41.040 41.810 -0.770 1
1 467 . 8 1 1 A 39 39 ASP N N 81 117.392 117.232 0.160 1
1 468 . 8 1 1 A 40 40 ASN H H 82 7.954 8.006 -0.052 1
1 469 . 8 1 1 A 40 40 ASN HA H 82 4.785 4.729 0.056 1
1 474 . 8 1 1 A 40 40 ASN C C 82 175.435 175.413 0.022 1
1 475 . 8 1 1 A 40 40 ASN CA C 82 53.032 51.903 1.129 1
1 476 . 8 1 1 A 40 40 ASN CB C 82 38.471 36.835 1.636 1
1 478 . 8 1 1 A 40 40 ASN N N 82 117.785 116.603 1.182 1
1 480 . 8 1 1 A 41 41 THR H H 83 8.518 7.766 0.752 1
1 481 . 8 1 1 A 41 41 THR HA H 83 4.243 4.104 0.139 1
1 486 . 8 1 1 A 41 41 THR C C 83 175.191 176.317 -1.126 1
1 487 . 8 1 1 A 41 41 THR CA C 83 63.584 64.419 -0.835 1
1 488 . 8 1 1 A 41 41 THR CB C 83 69.267 68.942 0.325 1
1 490 . 8 1 1 A 41 41 THR N N 83 114.265 120.294 -6.029 1
1 491 . 8 1 1 A 42 42 SER H H 84 8.179 8.143 0.036 1
1 492 . 8 1 1 A 42 42 SER HA H 84 4.439 4.349 0.090 1
1 495 . 8 1 1 A 42 42 SER C C 84 174.269 174.702 -0.433 1
1 496 . 8 1 1 A 42 42 SER CA C 84 59.222 61.607 -2.385 1
1 497 . 8 1 1 A 42 42 SER CB C 84 63.627 63.121 0.506 1
1 498 . 8 1 1 A 42 42 SER N N 84 115.576 115.466 0.110 1
1 499 . 8 1 1 A 43 43 LYS H H 85 7.911 7.155 0.756 1
1 500 . 8 1 1 A 43 43 LYS HA H 85 4.460 4.550 -0.090 1
1 509 . 8 1 1 A 43 43 LYS C C 85 175.440 174.963 0.477 1
1 510 . 8 1 1 A 43 43 LYS CA C 85 55.961 55.120 0.841 1
1 511 . 8 1 1 A 43 43 LYS CB C 85 33.032 33.476 -0.444 1
1 515 . 8 1 1 A 43 43 LYS N N 85 123.691 121.600 2.091 1
1 516 . 8 1 1 A 44 44 THR H H 86 8.165 8.598 -0.433 1
1 517 . 8 1 1 A 44 44 THR HA H 86 4.904 4.974 -0.070 1
1 522 . 8 1 1 A 44 44 THR C C 86 173.685 173.820 -0.135 1
1 523 . 8 1 1 A 44 44 THR CA C 86 60.794 60.900 -0.106 1
1 524 . 8 1 1 A 44 44 THR CB C 86 71.046 69.608 1.438 1
1 526 . 8 1 1 A 44 44 THR N N 86 117.392 117.959 -0.567 1
1 527 . 8 1 1 A 45 45 VAL H H 87 8.155 8.807 -0.652 1
1 528 . 8 1 1 A 45 45 VAL HA H 87 4.402 4.430 -0.028 1
1 536 . 8 1 1 A 45 45 VAL C C 87 174.343 174.994 -0.651 1
1 537 . 8 1 1 A 45 45 VAL CA C 87 60.551 61.153 -0.602 1
1 538 . 8 1 1 A 45 45 VAL CB C 87 35.225 33.494 1.731 1
1 541 . 8 1 1 A 45 45 VAL N N 87 123.105 126.537 -3.432 1
1 542 . 8 1 1 A 46 46 TRP H H 88 8.574 8.895 -0.321 1
1 543 . 8 1 1 A 46 46 TRP HA H 88 4.789 4.944 -0.155 1
1 552 . 8 1 1 A 46 46 TRP C C 88 175.287 176.353 -1.066 1
1 553 . 8 1 1 A 46 46 TRP CA C 88 57.716 56.832 0.884 1
1 554 . 8 1 1 A 46 46 TRP CB C 88 30.822 30.864 -0.042 1
1 560 . 8 1 1 A 46 46 TRP N N 88 126.326 128.587 -2.261 1
1 562 . 8 1 1 A 47 47 VAL H H 89 9.550 8.936 0.614 1
1 563 . 8 1 1 A 47 47 VAL HA H 89 4.884 4.967 -0.083 1
1 571 . 8 1 1 A 47 47 VAL C C 89 173.675 173.967 -0.292 1
1 572 . 8 1 1 A 47 47 VAL CA C 89 60.713 61.085 -0.372 1
1 573 . 8 1 1 A 47 47 VAL CB C 89 33.847 33.895 -0.048 1
1 576 . 8 1 1 A 47 47 VAL N N 89 123.380 123.007 0.373 1
1 577 . 8 1 1 A 48 48 LEU H H 90 8.757 8.997 -0.240 1
1 578 . 8 1 1 A 48 48 LEU HA H 90 5.181 5.160 0.021 1
1 588 . 8 1 1 A 48 48 LEU C C 90 175.118 174.480 0.638 1
1 589 . 8 1 1 A 48 48 LEU CA C 90 53.567 53.245 0.322 1
1 590 . 8 1 1 A 48 48 LEU CB C 90 45.758 44.211 1.547 1
1 594 . 8 1 1 A 48 48 LEU N N 90 125.653 130.136 -4.483 1
1 595 . 8 1 1 A 49 49 TYR H H 91 9.355 9.122 0.233 1
1 596 . 8 1 1 A 49 49 TYR HA H 91 5.196 5.420 -0.224 1
1 603 . 8 1 1 A 49 49 TYR C C 91 172.437 173.943 -1.506 1
1 604 . 8 1 1 A 49 49 TYR CA C 91 56.490 56.234 0.256 1
1 605 . 8 1 1 A 49 49 TYR CB C 91 41.602 41.018 0.584 1
1 610 . 8 1 1 A 49 49 TYR N N 91 129.351 128.810 0.541 1
1 611 . 8 1 1 A 50 50 LYS H H 92 7.805 8.365 -0.560 1
1 612 . 8 1 1 A 50 50 LYS HA H 92 4.450 4.633 -0.183 1
1 621 . 8 1 1 A 50 50 LYS C C 92 173.949 175.828 -1.879 1
1 622 . 8 1 1 A 50 50 LYS CA C 92 55.264 55.060 0.204 1
1 623 . 8 1 1 A 50 50 LYS CB C 92 32.484 32.636 -0.152 1
1 627 . 8 1 1 A 50 50 LYS N N 92 127.571 126.782 0.789 1
1 628 . 8 1 1 A 51 51 GLY H H 93 7.147 8.025 -0.878 1
1 629 . 8 1 1 A 51 51 GLY HA2 H 93 3.810 3.866 -0.056 1
1 630 . 8 1 1 A 51 51 GLY HA3 H 93 3.609 4.003 -0.394 1
1 631 . 8 1 1 A 51 51 GLY C C 93 170.582 172.225 -1.643 1
1 632 . 8 1 1 A 51 51 GLY CA C 93 43.645 44.142 -0.497 1
1 633 . 8 1 1 A 51 51 GLY N N 93 111.723 109.965 1.758 1
1 634 . 8 1 1 A 52 52 ALA H H 94 8.185 8.259 -0.074 1
1 635 . 8 1 1 A 52 52 ALA HA H 94 4.273 4.430 -0.157 1
1 639 . 8 1 1 A 52 52 ALA C C 94 178.775 177.449 1.326 1
1 640 . 8 1 1 A 52 52 ALA CA C 94 52.381 52.409 -0.028 1
1 641 . 8 1 1 A 52 52 ALA CB C 94 18.392 18.845 -0.453 1
1 642 . 8 1 1 A 52 52 ALA N N 94 119.165 122.974 -3.809 1
1 643 . 8 1 1 A 53 53 VAL H H 95 8.967 8.641 0.326 1
1 644 . 8 1 1 A 53 53 VAL HA H 95 4.200 4.399 -0.199 1
1 652 . 8 1 1 A 53 53 VAL C C 95 174.416 174.366 0.050 1
1 653 . 8 1 1 A 53 53 VAL CA C 95 60.028 60.651 -0.623 1
1 654 . 8 1 1 A 53 53 VAL CB C 95 32.712 32.107 0.605 1
1 657 . 8 1 1 A 53 53 VAL N N 95 127.597 124.822 2.775 1
1 658 . 8 1 1 A 54 54 PRO HA H 96 4.609 4.520 0.089 1
1 665 . 8 1 1 A 54 54 PRO C C 96 177.752 177.132 0.620 1
1 666 . 8 1 1 A 54 54 PRO CA C 96 62.907 63.228 -0.321 1
1 667 . 8 1 1 A 54 54 PRO CB C 96 32.850 32.650 0.200 1
1 670 . 8 1 1 A 55 55 ASP H H 97 9.047 8.671 0.376 1
1 671 . 8 1 1 A 55 55 ASP HA H 97 4.459 4.350 0.109 1
1 674 . 8 1 1 A 55 55 ASP C C 97 176.541 178.102 -1.561 1
1 675 . 8 1 1 A 55 55 ASP CA C 97 56.434 56.588 -0.154 1
1 676 . 8 1 1 A 55 55 ASP CB C 97 39.845 40.339 -0.494 1
1 677 . 8 1 1 A 55 55 ASP N N 97 122.223 121.652 0.571 1
1 678 . 8 1 1 A 56 56 THR H H 98 7.196 7.792 -0.596 1
1 679 . 8 1 1 A 56 56 THR HA H 98 4.105 4.199 -0.094 1
1 684 . 8 1 1 A 56 56 THR C C 98 174.743 174.614 0.129 1
1 685 . 8 1 1 A 56 56 THR CA C 98 60.857 63.924 -3.067 1
1 686 . 8 1 1 A 56 56 THR CB C 98 69.227 68.865 0.362 1
1 688 . 8 1 1 A 56 56 THR N N 98 105.196 114.585 -9.389 1
1 689 . 8 1 1 A 57 57 PHE H H 99 7.766 7.558 0.208 1
1 690 . 8 1 1 A 57 57 PHE HA H 99 3.752 4.374 -0.622 1
1 698 . 8 1 1 A 57 57 PHE C C 99 172.629 174.495 -1.866 1
1 699 . 8 1 1 A 57 57 PHE CA C 99 60.570 59.470 1.100 1
1 700 . 8 1 1 A 57 57 PHE CB C 99 40.156 39.735 0.421 1
1 706 . 8 1 1 A 57 57 PHE N N 99 122.514 123.043 -0.529 1
1 707 . 8 1 1 A 58 58 LYS H H 100 6.468 8.257 -1.789 1
1 708 . 8 1 1 A 58 58 LYS HA H 100 4.409 4.680 -0.271 1
1 717 . 8 1 1 A 58 58 LYS C C 100 171.564 173.522 -1.958 1
1 718 . 8 1 1 A 58 58 LYS CA C 100 53.643 53.844 -0.201 1
1 719 . 8 1 1 A 58 58 LYS CB C 100 32.382 35.331 -2.949 1
1 723 . 8 1 1 A 58 58 LYS N N 100 125.478 123.123 2.355 1
1 724 . 8 1 1 A 59 59 PRO HA H 101 3.708 4.122 -0.414 1
1 731 . 8 1 1 A 59 59 PRO C C 101 176.868 177.402 -0.534 1
1 732 . 8 1 1 A 59 59 PRO CA C 101 63.881 63.781 0.100 1
1 733 . 8 1 1 A 59 59 PRO CB C 101 31.168 31.315 -0.147 1
1 736 . 8 1 1 A 60 60 GLY H H 102 9.269 8.737 0.532 1
1 737 . 8 1 1 A 60 60 GLY HA2 H 102 4.299 3.806 0.493 1
1 738 . 8 1 1 A 60 60 GLY HA3 H 102 3.502 3.808 -0.306 1
1 739 . 8 1 1 A 60 60 GLY C C 102 174.023 174.565 -0.542 1
1 740 . 8 1 1 A 60 60 GLY CA C 102 45.005 45.092 -0.087 1
1 741 . 8 1 1 A 60 60 GLY N N 102 112.023 112.601 -0.578 1
1 742 . 8 1 1 A 61 61 VAL H H 103 7.321 7.370 -0.049 1
1 743 . 8 1 1 A 61 61 VAL HA H 103 4.279 4.055 0.224 1
1 751 . 8 1 1 A 61 61 VAL C C 103 174.073 175.468 -1.395 1
1 752 . 8 1 1 A 61 61 VAL CA C 103 61.277 61.835 -0.558 1
1 753 . 8 1 1 A 61 61 VAL CB C 103 32.882 32.396 0.486 1
1 756 . 8 1 1 A 61 61 VAL N N 103 118.571 122.239 -3.668 1
1 757 . 8 1 1 A 62 62 GLU H H 104 8.204 8.138 0.066 1
1 758 . 8 1 1 A 62 62 GLU HA H 104 4.946 4.828 0.118 1
1 763 . 8 1 1 A 62 62 GLU C C 104 176.252 176.420 -0.168 1
1 764 . 8 1 1 A 62 62 GLU CA C 104 55.398 56.298 -0.900 1
1 765 . 8 1 1 A 62 62 GLU CB C 104 30.129 30.435 -0.306 1
1 767 . 8 1 1 A 62 62 GLU N N 104 123.214 126.399 -3.185 1
1 768 . 8 1 1 A 63 63 VAL H H 105 9.066 8.959 0.107 1
1 769 . 8 1 1 A 63 63 VAL HA H 105 5.297 5.019 0.278 1
1 777 . 8 1 1 A 63 63 VAL C C 105 173.913 174.473 -0.560 1
1 778 . 8 1 1 A 63 63 VAL CA C 105 58.284 59.112 -0.828 1
1 779 . 8 1 1 A 63 63 VAL CB C 105 36.265 35.629 0.636 1
1 782 . 8 1 1 A 63 63 VAL N N 105 115.526 118.170 -2.644 1
1 783 . 8 1 1 A 64 64 ILE H H 106 8.542 9.064 -0.522 1
1 784 . 8 1 1 A 64 64 ILE HA H 106 4.775 4.564 0.211 1
1 794 . 8 1 1 A 64 64 ILE C C 106 176.511 175.250 1.261 1
1 795 . 8 1 1 A 64 64 ILE CA C 106 60.804 59.863 0.941 1
1 796 . 8 1 1 A 64 64 ILE CB C 106 40.991 39.813 1.178 1
1 800 . 8 1 1 A 64 64 ILE N N 106 120.283 122.557 -2.274 1
1 801 . 8 1 1 A 65 65 ILE H H 107 8.944 8.464 0.480 1
1 802 . 8 1 1 A 65 65 ILE HA H 107 5.197 4.970 0.227 1
1 812 . 8 1 1 A 65 65 ILE C C 107 174.076 174.584 -0.508 1
1 813 . 8 1 1 A 65 65 ILE CA C 107 58.384 59.270 -0.886 1
1 814 . 8 1 1 A 65 65 ILE CB C 107 42.082 39.386 2.696 1
1 818 . 8 1 1 A 65 65 ILE N N 107 122.157 123.946 -1.789 1
1 819 . 8 1 1 A 66 66 GLU H H 108 7.762 8.711 -0.949 1
1 820 . 8 1 1 A 66 66 GLU HA H 108 5.801 5.536 0.265 1
1 825 . 8 1 1 A 66 66 GLU C C 108 176.789 175.595 1.194 1
1 826 . 8 1 1 A 66 66 GLU CA C 108 54.063 55.289 -1.226 1
1 827 . 8 1 1 A 66 66 GLU CB C 108 32.818 33.529 -0.711 1
1 829 . 8 1 1 A 66 66 GLU N N 108 119.473 123.996 -4.523 1
1 830 . 8 1 1 A 67 67 GLY H H 109 9.064 8.551 0.513 1
1 831 . 8 1 1 A 67 67 GLY HA2 H 109 4.773 4.237 0.536 1
1 832 . 8 1 1 A 67 67 GLY HA3 H 109 3.948 4.285 -0.337 1
1 833 . 8 1 1 A 67 67 GLY C C 109 170.431 172.060 -1.629 1
1 834 . 8 1 1 A 67 67 GLY CA C 109 46.598 46.083 0.515 1
1 835 . 8 1 1 A 67 67 GLY N N 109 112.366 113.172 -0.806 1
1 836 . 8 1 1 A 68 68 GLY H H 110 7.116 7.330 -0.214 1
1 837 . 8 1 1 A 68 68 GLY HA2 H 110 3.949 3.825 0.124 1
1 838 . 8 1 1 A 68 68 GLY HA3 H 110 3.732 3.897 -0.165 1
1 839 . 8 1 1 A 68 68 GLY C C 110 170.827 171.284 -0.457 1
1 840 . 8 1 1 A 68 68 GLY CA C 110 45.228 45.461 -0.233 1
1 841 . 8 1 1 A 68 68 GLY N N 110 109.402 109.264 0.138 1
1 842 . 8 1 1 A 69 69 LEU H H 111 8.542 8.337 0.205 1
1 843 . 8 1 1 A 69 69 LEU HA H 111 4.546 4.668 -0.122 1
1 853 . 8 1 1 A 69 69 LEU C C 111 175.890 175.079 0.811 1
1 854 . 8 1 1 A 69 69 LEU CA C 111 54.400 53.950 0.450 1
1 855 . 8 1 1 A 69 69 LEU CB C 111 43.814 43.329 0.485 1
1 859 . 8 1 1 A 69 69 LEU N N 111 122.808 123.708 -0.900 1
1 860 . 8 1 1 A 70 70 ALA H H 112 8.889 8.489 0.400 1
1 861 . 8 1 1 A 70 70 ALA HA H 112 4.639 4.441 0.198 1
1 865 . 8 1 1 A 70 70 ALA C C 112 174.900 176.517 -1.617 1
1 866 . 8 1 1 A 70 70 ALA CA C 112 49.951 50.458 -0.507 1
1 867 . 8 1 1 A 70 70 ALA CB C 112 18.111 19.209 -1.098 1
1 868 . 8 1 1 A 70 70 ALA N N 112 130.675 129.982 0.693 1
1 869 . 8 1 1 A 71 71 PRO HA H 113 4.338 4.290 0.048 1
1 876 . 8 1 1 A 71 71 PRO C C 113 178.206 177.413 0.793 1
1 877 . 8 1 1 A 71 71 PRO CA C 113 64.055 63.567 0.488 1
1 878 . 8 1 1 A 71 71 PRO CB C 113 31.754 30.980 0.774 1
1 881 . 8 1 1 A 72 72 GLY H H 114 8.748 8.727 0.021 1
1 882 . 8 1 1 A 72 72 GLY HA2 H 114 4.165 3.992 0.173 1
1 883 . 8 1 1 A 72 72 GLY HA3 H 114 3.775 3.997 -0.222 1
1 884 . 8 1 1 A 72 72 GLY C C 114 174.200 174.781 -0.581 1
1 885 . 8 1 1 A 72 72 GLY CA C 114 45.602 45.326 0.276 1
1 886 . 8 1 1 A 72 72 GLY N N 114 111.945 113.010 -1.065 1
1 887 . 8 1 1 A 73 73 GLU H H 115 7.931 7.726 0.205 1
1 888 . 8 1 1 A 73 73 GLU HA H 115 4.581 4.455 0.126 1
1 893 . 8 1 1 A 73 73 GLU C C 115 175.843 176.653 -0.810 1
1 894 . 8 1 1 A 73 73 GLU CA C 115 55.732 55.678 0.054 1
1 895 . 8 1 1 A 73 73 GLU CB C 115 31.128 30.672 0.456 1
1 897 . 8 1 1 A 73 73 GLU N N 115 118.591 120.579 -1.988 1
1 898 . 8 1 1 A 74 74 ASP H H 116 8.467 8.698 -0.231 1
1 899 . 8 1 1 A 74 74 ASP HA H 116 4.823 4.644 0.179 1
1 902 . 8 1 1 A 74 74 ASP C C 116 175.848 176.234 -0.386 1
1 903 . 8 1 1 A 74 74 ASP CA C 116 53.831 56.377 -2.546 1
1 904 . 8 1 1 A 74 74 ASP CB C 116 41.052 41.729 -0.677 1
1 905 . 8 1 1 A 74 74 ASP N N 116 118.021 123.070 -5.049 1
1 906 . 8 1 1 A 75 75 THR H H 117 7.301 7.666 -0.365 1
1 907 . 8 1 1 A 75 75 THR HA H 117 4.620 4.959 -0.339 1
1 912 . 8 1 1 A 75 75 THR C C 117 172.120 173.828 -1.708 1
1 913 . 8 1 1 A 75 75 THR CA C 117 61.907 61.906 0.001 1
1 914 . 8 1 1 A 75 75 THR CB C 117 71.398 69.783 1.615 1
1 916 . 8 1 1 A 75 75 THR N N 117 114.820 115.529 -0.709 1
1 917 . 8 1 1 A 76 76 PHE H H 118 9.657 9.081 0.576 1
1 918 . 8 1 1 A 76 76 PHE HA H 118 4.290 4.622 -0.332 1
1 926 . 8 1 1 A 76 76 PHE C C 118 174.118 174.129 -0.011 1
1 927 . 8 1 1 A 76 76 PHE CA C 118 58.185 57.266 0.919 1
1 928 . 8 1 1 A 76 76 PHE CB C 118 40.718 39.561 1.157 1
1 934 . 8 1 1 A 76 76 PHE N N 118 130.378 129.336 1.042 1
1 935 . 8 1 1 A 77 77 LYS H H 119 8.364 8.337 0.027 1
1 936 . 8 1 1 A 77 77 LYS HA H 119 4.853 4.609 0.244 1
1 945 . 8 1 1 A 77 77 LYS C C 119 175.278 174.711 0.567 1
1 946 . 8 1 1 A 77 77 LYS CA C 119 55.282 55.776 -0.494 1
1 947 . 8 1 1 A 77 77 LYS CB C 119 31.319 32.745 -1.426 1
1 951 . 8 1 1 A 77 77 LYS N N 119 129.777 128.729 1.048 1
1 952 . 8 1 1 A 78 78 ALA H H 120 8.837 8.783 0.054 1
1 953 . 8 1 1 A 78 78 ALA HA H 120 4.828 4.670 0.158 1
1 957 . 8 1 1 A 78 78 ALA C C 120 176.015 177.618 -1.603 1
1 958 . 8 1 1 A 78 78 ALA CA C 120 51.435 52.684 -1.249 1
1 959 . 8 1 1 A 78 78 ALA CB C 120 20.006 19.350 0.656 1
1 960 . 8 1 1 A 78 78 ALA N N 120 129.771 130.280 -0.509 1
1 961 . 8 1 1 A 79 79 ARG H H 121 9.846 8.865 0.981 1
1 962 . 8 1 1 A 79 79 ARG HA H 121 4.582 4.296 0.286 1
1 970 . 8 1 1 A 79 79 ARG C C 121 176.651 176.219 0.432 1
1 971 . 8 1 1 A 79 79 ARG CA C 121 57.420 57.818 -0.398 1
1 972 . 8 1 1 A 79 79 ARG CB C 121 31.773 31.339 0.434 1
1 975 . 8 1 1 A 79 79 ARG N N 121 125.113 125.066 0.047 1
1 977 . 8 1 1 A 80 80 THR H H 122 7.938 8.340 -0.402 1
1 978 . 8 1 1 A 80 80 THR HA H 122 4.921 5.143 -0.222 1
1 983 . 8 1 1 A 80 80 THR C C 122 172.002 172.897 -0.895 1
1 984 . 8 1 1 A 80 80 THR CA C 122 60.475 60.160 0.315 1
1 985 . 8 1 1 A 80 80 THR CB C 122 72.093 71.594 0.499 1
1 987 . 8 1 1 A 80 80 THR N N 122 109.595 108.812 0.783 1
1 988 . 8 1 1 A 81 81 LEU H H 123 8.196 8.991 -0.795 1
1 989 . 8 1 1 A 81 81 LEU HA H 123 4.701 5.088 -0.387 1
1 999 . 8 1 1 A 81 81 LEU C C 123 173.804 174.401 -0.597 1
1 1000 . 8 1 1 A 81 81 LEU CA C 123 55.357 53.300 2.057 1
1 1001 . 8 1 1 A 81 81 LEU CB C 123 44.009 46.210 -2.201 1
1 1005 . 8 1 1 A 81 81 LEU N N 123 123.214 124.324 -1.110 1
1 1006 . 8 1 1 A 82 82 MET H H 124 8.700 8.372 0.328 1
1 1007 . 8 1 1 A 82 82 MET HA H 124 4.841 4.795 0.046 1
1 1015 . 8 1 1 A 82 82 MET C C 124 175.097 174.846 0.251 1
1 1016 . 8 1 1 A 82 82 MET CA C 124 54.190 54.651 -0.461 1
1 1017 . 8 1 1 A 82 82 MET CB C 124 36.191 36.281 -0.090 1
1 1020 . 8 1 1 A 82 82 MET N N 124 124.452 122.952 1.500 1
1 1021 . 8 1 1 A 83 83 THR H H 125 8.671 8.519 0.152 1
1 1022 . 8 1 1 A 83 83 THR HA H 125 4.934 4.724 0.210 1
1 1027 . 8 1 1 A 83 83 THR C C 125 174.094 175.440 -1.346 1
1 1028 . 8 1 1 A 83 83 THR CA C 125 60.253 60.714 -0.461 1
1 1029 . 8 1 1 A 83 83 THR CB C 125 69.831 70.700 -0.869 1
1 1031 . 8 1 1 A 83 83 THR N N 125 113.070 114.832 -1.762 1
1 1032 . 8 1 1 A 84 84 LYS H H 126 8.419 9.001 -0.582 1
1 1033 . 8 1 1 A 84 84 LYS HA H 126 4.446 4.318 0.128 1
1 1042 . 8 1 1 A 84 84 LYS C C 126 175.461 176.342 -0.881 1
1 1043 . 8 1 1 A 84 84 LYS CA C 126 55.500 57.944 -2.444 1
1 1044 . 8 1 1 A 84 84 LYS CB C 126 33.736 33.575 0.161 1
1 1048 . 8 1 1 A 84 84 LYS N N 126 123.139 122.685 0.454 1
1 1049 . 8 1 1 A 85 85 CYS H H 127 8.543 7.284 1.259 1
1 1050 . 8 1 1 A 85 85 CYS HA H 127 4.795 4.768 0.027 1
1 1053 . 8 1 1 A 85 85 CYS C C 127 172.809 173.936 -1.127 1
1 1054 . 8 1 1 A 85 85 CYS CA C 127 56.423 56.490 -0.067 1
1 1055 . 8 1 1 A 85 85 CYS CB C 127 27.739 29.347 -1.608 1
1 1056 . 8 1 1 A 85 85 CYS N N 127 123.709 115.103 8.606 1
1 1057 . 8 1 1 A 86 86 PRO HA H 128 4.439 4.936 -0.497 1
1 1064 . 8 1 1 A 86 86 PRO C C 128 176.560 176.119 0.441 1
1 1065 . 8 1 1 A 86 86 PRO CA C 128 63.292 62.256 1.036 1
1 1066 . 8 1 1 A 86 86 PRO CB C 128 32.165 32.390 -0.225 1
1 1069 . 8 1 1 A 87 87 LEU H H 129 8.274 8.004 0.270 1
1 1070 . 8 1 1 A 87 87 LEU HA H 129 4.256 4.343 -0.087 1
1 1080 . 8 1 1 A 87 87 LEU C C 129 177.141 175.291 1.850 1
1 1081 . 8 1 1 A 87 87 LEU CA C 129 55.281 54.478 0.803 1
1 1082 . 8 1 1 A 87 87 LEU CB C 129 42.299 40.374 1.925 1
1 1086 . 8 1 1 A 87 87 LEU N N 129 122.188 121.408 0.780 1
1 1 . 9 1 1 A 2 2 ALA HA H 44 4.214 4.146 0.068 1
1 5 . 9 1 1 A 2 2 ALA C C 44 173.758 178.530 -4.772 1
1 6 . 9 1 1 A 2 2 ALA CA C 44 51.848 55.332 -3.484 1
1 7 . 9 1 1 A 2 2 ALA CB C 44 19.505 18.081 1.424 1
1 8 . 9 1 1 A 3 3 THR H H 45 8.709 7.762 0.947 1
1 9 . 9 1 1 A 3 3 THR HA H 45 4.694 4.354 0.340 1
1 14 . 9 1 1 A 3 3 THR CA C 45 60.191 60.385 -0.194 1
1 15 . 9 1 1 A 3 3 THR CB C 45 69.815 69.447 0.368 1
1 17 . 9 1 1 A 3 3 THR N N 45 116.649 114.780 1.869 1
1 18 . 9 1 1 A 4 4 PRO HA H 46 4.412 4.743 -0.331 1
1 25 . 9 1 1 A 4 4 PRO C C 46 177.212 177.143 0.069 1
1 26 . 9 1 1 A 4 4 PRO CA C 46 63.698 62.277 1.421 1
1 27 . 9 1 1 A 4 4 PRO CB C 46 32.117 32.571 -0.454 1
1 30 . 9 1 1 A 5 5 GLN H H 47 8.463 8.894 -0.431 1
1 31 . 9 1 1 A 5 5 GLN HA H 47 4.260 4.105 0.155 1
1 38 . 9 1 1 A 5 5 GLN C C 47 176.073 174.977 1.096 1
1 39 . 9 1 1 A 5 5 GLN CA C 47 56.328 57.327 -0.999 1
1 40 . 9 1 1 A 5 5 GLN CB C 47 29.286 28.387 0.899 1
1 43 . 9 1 1 A 5 5 GLN N N 47 119.945 119.686 0.259 1
1 45 . 9 1 1 A 6 6 ASP H H 48 8.276 8.019 0.257 1
1 46 . 9 1 1 A 6 6 ASP HA H 48 4.558 4.734 -0.176 1
1 49 . 9 1 1 A 6 6 ASP C C 48 176.454 176.218 0.236 1
1 50 . 9 1 1 A 6 6 ASP CA C 48 54.538 53.411 1.127 1
1 51 . 9 1 1 A 6 6 ASP CB C 48 40.873 42.073 -1.200 1
1 52 . 9 1 1 A 6 6 ASP N N 48 120.974 121.169 -0.195 1
1 53 . 9 1 1 A 7 7 LYS H H 49 8.218 9.078 -0.860 1
1 54 . 9 1 1 A 7 7 LYS HA H 49 4.264 4.592 -0.328 1
1 63 . 9 1 1 A 7 7 LYS C C 49 176.665 177.178 -0.513 1
1 64 . 9 1 1 A 7 7 LYS CA C 49 56.655 55.930 0.725 1
1 65 . 9 1 1 A 7 7 LYS CB C 49 32.837 32.144 0.693 1
1 69 . 9 1 1 A 7 7 LYS N N 49 120.950 119.048 1.902 1
1 70 . 9 1 1 A 8 8 LEU H H 50 8.010 7.535 0.475 1
1 71 . 9 1 1 A 8 8 LEU HA H 50 4.279 4.408 -0.129 1
1 81 . 9 1 1 A 8 8 LEU C C 50 177.110 177.550 -0.440 1
1 82 . 9 1 1 A 8 8 LEU CA C 50 55.353 54.640 0.713 1
1 83 . 9 1 1 A 8 8 LEU CB C 50 42.302 41.257 1.045 1
1 87 . 9 1 1 A 8 8 LEU N N 50 121.105 119.322 1.783 1
1 88 . 9 1 1 A 9 9 HIS H H 51 8.411 7.935 0.476 1
1 89 . 9 1 1 A 9 9 HIS HA H 51 4.780 4.235 0.545 1
1 92 . 9 1 1 A 9 9 HIS C C 51 174.285 175.753 -1.468 1
1 93 . 9 1 1 A 9 9 HIS CA C 51 55.320 59.255 -3.935 1
1 94 . 9 1 1 A 9 9 HIS CB C 51 28.827 29.820 -0.993 1
1 95 . 9 1 1 A 9 9 HIS N N 51 119.035 119.556 -0.521 1
1 96 . 9 1 1 A 10 10 THR H H 52 8.178 7.665 0.513 1
1 97 . 9 1 1 A 10 10 THR HA H 52 4.488 4.150 0.338 1
1 102 . 9 1 1 A 10 10 THR C C 52 173.766 174.358 -0.592 1
1 103 . 9 1 1 A 10 10 THR CA C 52 62.392 62.524 -0.132 1
1 104 . 9 1 1 A 10 10 THR CB C 52 70.104 70.264 -0.160 1
1 106 . 9 1 1 A 10 10 THR N N 52 117.285 112.026 5.259 1
1 107 . 9 1 1 A 11 11 VAL H H 53 9.088 8.561 0.527 1
1 108 . 9 1 1 A 11 11 VAL HA H 53 4.464 4.580 -0.116 1
1 116 . 9 1 1 A 11 11 VAL C C 53 174.048 174.706 -0.658 1
1 117 . 9 1 1 A 11 11 VAL CA C 53 61.359 61.521 -0.162 1
1 118 . 9 1 1 A 11 11 VAL CB C 53 34.602 31.991 2.611 1
1 121 . 9 1 1 A 11 11 VAL N N 53 123.969 125.896 -1.927 1
1 122 . 9 1 1 A 12 12 ARG H H 54 8.386 8.838 -0.452 1
1 123 . 9 1 1 A 12 12 ARG HA H 54 5.495 4.785 0.710 1
1 131 . 9 1 1 A 12 12 ARG C C 54 175.364 174.880 0.484 1
1 132 . 9 1 1 A 12 12 ARG CA C 54 54.401 55.285 -0.884 1
1 133 . 9 1 1 A 12 12 ARG CB C 54 32.753 31.269 1.484 1
1 136 . 9 1 1 A 12 12 ARG N N 54 125.294 128.734 -3.440 1
1 138 . 9 1 1 A 13 13 LEU H H 55 8.828 8.469 0.359 1
1 139 . 9 1 1 A 13 13 LEU HA H 55 4.726 4.974 -0.248 1
1 149 . 9 1 1 A 13 13 LEU C C 55 174.223 174.161 0.062 1
1 150 . 9 1 1 A 13 13 LEU CA C 55 53.309 53.606 -0.297 1
1 151 . 9 1 1 A 13 13 LEU CB C 55 45.884 45.731 0.153 1
1 155 . 9 1 1 A 13 13 LEU N N 55 124.874 127.412 -2.538 1
1 156 . 9 1 1 A 14 14 PHE H H 56 8.195 9.118 -0.923 1
1 157 . 9 1 1 A 14 14 PHE HA H 56 5.576 5.416 0.160 1
1 165 . 9 1 1 A 14 14 PHE C C 56 175.266 176.200 -0.934 1
1 166 . 9 1 1 A 14 14 PHE CA C 56 55.009 55.631 -0.622 1
1 167 . 9 1 1 A 14 14 PHE CB C 56 42.340 41.637 0.703 1
1 173 . 9 1 1 A 14 14 PHE N N 56 118.334 125.700 -7.366 1
1 174 . 9 1 1 A 15 15 GLY H H 57 8.134 8.258 -0.124 1
1 175 . 9 1 1 A 15 15 GLY HA2 H 57 4.229 4.252 -0.023 1
1 176 . 9 1 1 A 15 15 GLY HA3 H 57 4.004 4.268 -0.264 1
1 177 . 9 1 1 A 15 15 GLY C C 57 171.108 171.666 -0.558 1
1 178 . 9 1 1 A 15 15 GLY CA C 57 45.857 46.135 -0.278 1
1 179 . 9 1 1 A 15 15 GLY N N 57 109.159 109.707 -0.548 1
1 180 . 9 1 1 A 16 16 THR H H 58 8.595 8.310 0.285 1
1 181 . 9 1 1 A 16 16 THR HA H 58 5.114 5.233 -0.119 1
1 186 . 9 1 1 A 16 16 THR C C 58 174.484 173.691 0.793 1
1 187 . 9 1 1 A 16 16 THR CA C 58 60.591 61.335 -0.744 1
1 188 . 9 1 1 A 16 16 THR CB C 58 71.164 71.473 -0.309 1
1 190 . 9 1 1 A 16 16 THR N N 58 113.580 115.474 -1.894 1
1 191 . 9 1 1 A 17 17 VAL H H 59 8.053 8.538 -0.485 1
1 192 . 9 1 1 A 17 17 VAL HA H 59 3.876 4.245 -0.369 1
1 200 . 9 1 1 A 17 17 VAL C C 59 176.315 176.026 0.289 1
1 201 . 9 1 1 A 17 17 VAL CA C 59 63.549 62.879 0.670 1
1 202 . 9 1 1 A 17 17 VAL CB C 59 32.779 31.664 1.115 1
1 205 . 9 1 1 A 17 17 VAL N N 59 124.410 127.005 -2.595 1
1 206 . 9 1 1 A 18 18 ALA H H 60 8.931 8.650 0.281 1
1 207 . 9 1 1 A 18 18 ALA HA H 60 4.354 4.324 0.030 1
1 211 . 9 1 1 A 18 18 ALA C C 60 177.293 178.026 -0.733 1
1 212 . 9 1 1 A 18 18 ALA CA C 60 52.138 52.184 -0.046 1
1 213 . 9 1 1 A 18 18 ALA CB C 60 19.782 19.166 0.616 1
1 214 . 9 1 1 A 18 18 ALA N N 60 133.912 130.811 3.101 1
1 215 . 9 1 1 A 19 19 ALA H H 61 8.548 8.586 -0.038 1
1 216 . 9 1 1 A 19 19 ALA HA H 61 4.105 4.066 0.039 1
1 220 . 9 1 1 A 19 19 ALA C C 61 178.793 177.792 1.001 1
1 221 . 9 1 1 A 19 19 ALA CA C 61 54.218 54.689 -0.471 1
1 222 . 9 1 1 A 19 19 ALA CB C 61 18.969 18.981 -0.012 1
1 223 . 9 1 1 A 19 19 ALA N N 61 121.667 123.857 -2.190 1
1 224 . 9 1 1 A 20 20 ASP H H 62 8.117 7.832 0.285 1
1 225 . 9 1 1 A 20 20 ASP HA H 62 4.602 4.577 0.025 1
1 228 . 9 1 1 A 20 20 ASP C C 62 177.210 177.215 -0.005 1
1 229 . 9 1 1 A 20 20 ASP CA C 62 54.575 55.565 -0.990 1
1 230 . 9 1 1 A 20 20 ASP CB C 62 41.188 39.791 1.397 1
1 231 . 9 1 1 A 20 20 ASP N N 62 115.534 118.006 -2.472 1
1 232 . 9 1 1 A 21 21 GLY H H 63 8.996 8.827 0.169 1
1 233 . 9 1 1 A 21 21 GLY HA2 H 63 4.311 4.152 0.159 1
1 234 . 9 1 1 A 21 21 GLY HA3 H 63 3.888 4.277 -0.389 1
1 235 . 9 1 1 A 21 21 GLY C C 63 173.384 174.203 -0.819 1
1 236 . 9 1 1 A 21 21 GLY CA C 63 46.124 46.900 -0.776 1
1 237 . 9 1 1 A 21 21 GLY N N 63 112.754 112.496 0.258 1
1 238 . 9 1 1 A 22 22 LEU H H 64 7.380 7.842 -0.462 1
1 239 . 9 1 1 A 22 22 LEU HA H 64 4.964 5.319 -0.355 1
1 249 . 9 1 1 A 22 22 LEU C C 64 178.011 174.847 3.164 1
1 250 . 9 1 1 A 22 22 LEU CA C 64 57.159 54.298 2.861 1
1 251 . 9 1 1 A 22 22 LEU CB C 64 42.160 44.622 -2.462 1
1 255 . 9 1 1 A 22 22 LEU N N 64 123.991 120.531 3.460 1
1 256 . 9 1 1 A 23 23 THR H H 65 9.752 9.348 0.404 1
1 257 . 9 1 1 A 23 23 THR HA H 65 4.755 5.013 -0.258 1
1 262 . 9 1 1 A 23 23 THR C C 65 173.249 174.166 -0.917 1
1 263 . 9 1 1 A 23 23 THR CA C 65 61.231 62.316 -1.085 1
1 264 . 9 1 1 A 23 23 THR CB C 65 71.995 69.876 2.119 1
1 266 . 9 1 1 A 23 23 THR N N 65 124.024 123.129 0.895 1
1 267 . 9 1 1 A 24 24 MET H H 66 8.881 8.551 0.330 1
1 268 . 9 1 1 A 24 24 MET HA H 66 5.019 4.872 0.147 1
1 276 . 9 1 1 A 24 24 MET C C 66 176.750 175.874 0.876 1
1 277 . 9 1 1 A 24 24 MET CA C 66 54.452 54.145 0.307 1
1 278 . 9 1 1 A 24 24 MET CB C 66 31.809 33.347 -1.538 1
1 281 . 9 1 1 A 24 24 MET N N 66 125.215 126.466 -1.251 1
1 282 . 9 1 1 A 25 25 LEU H H 67 8.037 8.327 -0.290 1
1 283 . 9 1 1 A 25 25 LEU HA H 67 4.253 4.587 -0.334 1
1 293 . 9 1 1 A 25 25 LEU C C 67 176.617 176.044 0.573 1
1 294 . 9 1 1 A 25 25 LEU CA C 67 55.259 54.307 0.952 1
1 295 . 9 1 1 A 25 25 LEU CB C 67 41.019 42.248 -1.229 1
1 299 . 9 1 1 A 25 25 LEU N N 67 123.282 122.616 0.666 1
1 300 . 9 1 1 A 26 26 ASP H H 68 8.419 8.748 -0.329 1
1 301 . 9 1 1 A 26 26 ASP HA H 68 4.695 4.873 -0.178 1
1 304 . 9 1 1 A 26 26 ASP C C 68 176.728 177.024 -0.296 1
1 305 . 9 1 1 A 26 26 ASP CA C 68 53.907 53.758 0.149 1
1 306 . 9 1 1 A 26 26 ASP CB C 68 41.338 42.189 -0.851 1
1 307 . 9 1 1 A 26 26 ASP N N 68 120.434 123.226 -2.792 1
1 308 . 9 1 1 A 27 27 GLY H H 69 8.607 8.633 -0.026 1
1 309 . 9 1 1 A 27 27 GLY HA2 H 69 4.055 3.926 0.129 1
1 310 . 9 1 1 A 27 27 GLY HA3 H 69 3.665 3.928 -0.263 1
1 311 . 9 1 1 A 27 27 GLY C C 69 173.151 173.230 -0.079 1
1 312 . 9 1 1 A 27 27 GLY CA C 69 45.895 45.488 0.407 1
1 313 . 9 1 1 A 27 27 GLY N N 69 112.545 111.050 1.495 1
1 314 . 9 1 1 A 28 28 ALA H H 70 7.634 7.587 0.047 1
1 315 . 9 1 1 A 28 28 ALA HA H 70 4.575 4.617 -0.042 1
1 319 . 9 1 1 A 28 28 ALA C C 70 174.090 174.243 -0.153 1
1 320 . 9 1 1 A 28 28 ALA CA C 70 50.137 50.305 -0.168 1
1 321 . 9 1 1 A 28 28 ALA CB C 70 19.221 21.756 -2.535 1
1 322 . 9 1 1 A 28 28 ALA N N 70 125.545 119.519 6.026 1
1 323 . 9 1 1 A 29 29 PRO HA H 71 4.462 4.626 -0.164 1
1 330 . 9 1 1 A 29 29 PRO C C 71 176.671 176.087 0.584 1
1 331 . 9 1 1 A 29 29 PRO CA C 71 63.021 63.505 -0.484 1
1 332 . 9 1 1 A 29 29 PRO CB C 71 32.015 31.567 0.448 1
1 335 . 9 1 1 A 30 30 GLY H H 72 7.988 7.934 0.054 1
1 336 . 9 1 1 A 30 30 GLY HA2 H 72 5.001 4.018 0.983 1
1 337 . 9 1 1 A 30 30 GLY HA3 H 72 3.991 4.078 -0.087 1
1 338 . 9 1 1 A 30 30 GLY C C 72 172.906 171.382 1.524 1
1 339 . 9 1 1 A 30 30 GLY CA C 72 45.642 45.306 0.336 1
1 340 . 9 1 1 A 30 30 GLY N N 72 109.355 109.231 0.124 1
1 341 . 9 1 1 A 31 31 VAL H H 73 9.332 8.696 0.636 1
1 342 . 9 1 1 A 31 31 VAL HA H 73 5.194 4.798 0.396 1
1 350 . 9 1 1 A 31 31 VAL C C 73 171.443 173.019 -1.576 1
1 351 . 9 1 1 A 31 31 VAL CA C 73 60.233 60.330 -0.097 1
1 352 . 9 1 1 A 31 31 VAL CB C 73 35.471 34.869 0.602 1
1 355 . 9 1 1 A 31 31 VAL N N 73 116.539 118.475 -1.936 1
1 356 . 9 1 1 A 32 32 ARG H H 74 8.956 9.105 -0.149 1
1 357 . 9 1 1 A 32 32 ARG HA H 74 5.999 5.768 0.231 1
1 365 . 9 1 1 A 32 32 ARG C C 74 174.581 175.398 -0.817 1
1 366 . 9 1 1 A 32 32 ARG CA C 74 54.187 54.465 -0.278 1
1 367 . 9 1 1 A 32 32 ARG CB C 74 33.463 32.792 0.671 1
1 370 . 9 1 1 A 32 32 ARG N N 74 127.557 129.014 -1.457 1
1 372 . 9 1 1 A 33 33 PHE H H 75 9.262 8.666 0.596 1
1 373 . 9 1 1 A 33 33 PHE HA H 75 5.461 5.526 -0.065 1
1 381 . 9 1 1 A 33 33 PHE C C 75 171.210 172.634 -1.424 1
1 382 . 9 1 1 A 33 33 PHE CA C 75 55.947 55.919 0.028 1
1 383 . 9 1 1 A 33 33 PHE CB C 75 41.151 42.169 -1.018 1
1 389 . 9 1 1 A 33 33 PHE N N 75 120.514 120.890 -0.376 1
1 390 . 9 1 1 A 34 34 ARG H H 76 9.921 8.700 1.221 1
1 391 . 9 1 1 A 34 34 ARG HA H 76 4.368 4.081 0.287 1
1 399 . 9 1 1 A 34 34 ARG C C 76 173.994 175.274 -1.280 1
1 400 . 9 1 1 A 34 34 ARG CA C 76 54.594 55.065 -0.471 1
1 401 . 9 1 1 A 34 34 ARG CB C 76 31.539 30.388 1.151 1
1 404 . 9 1 1 A 34 34 ARG N N 76 122.011 121.079 0.932 1
1 406 . 9 1 1 A 35 35 LEU H H 77 8.781 8.712 0.069 1
1 407 . 9 1 1 A 35 35 LEU HA H 77 4.755 4.686 0.069 1
1 417 . 9 1 1 A 35 35 LEU C C 77 176.305 174.957 1.348 1
1 418 . 9 1 1 A 35 35 LEU CA C 77 53.188 55.072 -1.884 1
1 419 . 9 1 1 A 35 35 LEU CB C 77 44.689 42.990 1.699 1
1 423 . 9 1 1 A 35 35 LEU N N 77 127.038 128.797 -1.759 1
1 424 . 9 1 1 A 36 36 GLU H H 78 9.342 8.727 0.615 1
1 425 . 9 1 1 A 36 36 GLU HA H 78 4.531 4.683 -0.152 1
1 430 . 9 1 1 A 36 36 GLU C C 78 175.380 175.669 -0.289 1
1 431 . 9 1 1 A 36 36 GLU CA C 78 54.829 55.381 -0.552 1
1 432 . 9 1 1 A 36 36 GLU CB C 78 29.842 30.722 -0.880 1
1 434 . 9 1 1 A 36 36 GLU N N 78 126.891 125.768 1.123 1
1 435 . 9 1 1 A 37 37 ASP H H 79 8.418 8.172 0.246 1
1 436 . 9 1 1 A 37 37 ASP HA H 79 4.630 4.452 0.178 1
1 439 . 9 1 1 A 37 37 ASP C C 79 176.623 177.365 -0.742 1
1 440 . 9 1 1 A 37 37 ASP CA C 79 53.996 54.902 -0.906 1
1 441 . 9 1 1 A 37 37 ASP CB C 79 41.401 42.160 -0.759 1
1 442 . 9 1 1 A 37 37 ASP N N 79 125.084 126.465 -1.381 1
1 443 . 9 1 1 A 38 38 LYS H H 80 8.691 8.296 0.395 1
1 444 . 9 1 1 A 38 38 LYS HA H 80 4.064 4.049 0.015 1
1 453 . 9 1 1 A 38 38 LYS C C 80 176.779 177.694 -0.915 1
1 454 . 9 1 1 A 38 38 LYS CA C 80 57.994 58.650 -0.656 1
1 455 . 9 1 1 A 38 38 LYS CB C 80 32.404 31.919 0.485 1
1 459 . 9 1 1 A 38 38 LYS N N 80 124.179 124.320 -0.141 1
1 460 . 9 1 1 A 39 39 ASP H H 81 8.355 7.673 0.682 1
1 461 . 9 1 1 A 39 39 ASP HA H 81 4.591 4.558 0.033 1
1 464 . 9 1 1 A 39 39 ASP C C 81 175.682 176.705 -1.023 1
1 465 . 9 1 1 A 39 39 ASP CA C 81 54.888 55.601 -0.713 1
1 466 . 9 1 1 A 39 39 ASP CB C 81 41.040 41.962 -0.922 1
1 467 . 9 1 1 A 39 39 ASP N N 81 117.392 117.705 -0.313 1
1 468 . 9 1 1 A 40 40 ASN H H 82 7.954 7.712 0.242 1
1 469 . 9 1 1 A 40 40 ASN HA H 82 4.785 4.974 -0.189 1
1 474 . 9 1 1 A 40 40 ASN C C 82 175.435 175.189 0.246 1
1 475 . 9 1 1 A 40 40 ASN CA C 82 53.032 51.979 1.053 1
1 476 . 9 1 1 A 40 40 ASN CB C 82 38.471 39.108 -0.637 1
1 478 . 9 1 1 A 40 40 ASN N N 82 117.785 117.224 0.561 1
1 480 . 9 1 1 A 41 41 THR H H 83 8.518 8.712 -0.194 1
1 481 . 9 1 1 A 41 41 THR HA H 83 4.243 4.061 0.182 1
1 486 . 9 1 1 A 41 41 THR C C 83 175.191 176.248 -1.057 1
1 487 . 9 1 1 A 41 41 THR CA C 83 63.584 64.837 -1.253 1
1 488 . 9 1 1 A 41 41 THR CB C 83 69.267 68.916 0.351 1
1 490 . 9 1 1 A 41 41 THR N N 83 114.265 120.870 -6.605 1
1 491 . 9 1 1 A 42 42 SER H H 84 8.179 8.101 0.078 1
1 492 . 9 1 1 A 42 42 SER HA H 84 4.439 4.293 0.146 1
1 495 . 9 1 1 A 42 42 SER C C 84 174.269 174.961 -0.692 1
1 496 . 9 1 1 A 42 42 SER CA C 84 59.222 62.045 -2.823 1
1 497 . 9 1 1 A 42 42 SER CB C 84 63.627 63.046 0.581 1
1 498 . 9 1 1 A 42 42 SER N N 84 115.576 116.063 -0.487 1
1 499 . 9 1 1 A 43 43 LYS H H 85 7.911 7.660 0.251 1
1 500 . 9 1 1 A 43 43 LYS HA H 85 4.460 4.390 0.070 1
1 509 . 9 1 1 A 43 43 LYS C C 85 175.440 174.834 0.606 1
1 510 . 9 1 1 A 43 43 LYS CA C 85 55.961 54.623 1.338 1
1 511 . 9 1 1 A 43 43 LYS CB C 85 33.032 31.206 1.826 1
1 515 . 9 1 1 A 43 43 LYS N N 85 123.691 119.979 3.712 1
1 516 . 9 1 1 A 44 44 THR H H 86 8.165 8.260 -0.095 1
1 517 . 9 1 1 A 44 44 THR HA H 86 4.904 5.186 -0.282 1
1 522 . 9 1 1 A 44 44 THR C C 86 173.685 173.521 0.164 1
1 523 . 9 1 1 A 44 44 THR CA C 86 60.794 61.017 -0.223 1
1 524 . 9 1 1 A 44 44 THR CB C 86 71.046 69.252 1.794 1
1 526 . 9 1 1 A 44 44 THR N N 86 117.392 115.828 1.564 1
1 527 . 9 1 1 A 45 45 VAL H H 87 8.155 8.683 -0.528 1
1 528 . 9 1 1 A 45 45 VAL HA H 87 4.402 4.351 0.051 1
1 536 . 9 1 1 A 45 45 VAL C C 87 174.343 175.096 -0.753 1
1 537 . 9 1 1 A 45 45 VAL CA C 87 60.551 61.171 -0.620 1
1 538 . 9 1 1 A 45 45 VAL CB C 87 35.225 33.694 1.531 1
1 541 . 9 1 1 A 45 45 VAL N N 87 123.105 126.662 -3.557 1
1 542 . 9 1 1 A 46 46 TRP H H 88 8.574 8.839 -0.265 1
1 543 . 9 1 1 A 46 46 TRP HA H 88 4.789 5.029 -0.240 1
1 552 . 9 1 1 A 46 46 TRP C C 88 175.287 176.355 -1.068 1
1 553 . 9 1 1 A 46 46 TRP CA C 88 57.716 56.923 0.793 1
1 554 . 9 1 1 A 46 46 TRP CB C 88 30.822 30.988 -0.166 1
1 560 . 9 1 1 A 46 46 TRP N N 88 126.326 128.310 -1.984 1
1 562 . 9 1 1 A 47 47 VAL H H 89 9.550 8.795 0.755 1
1 563 . 9 1 1 A 47 47 VAL HA H 89 4.884 4.698 0.186 1
1 571 . 9 1 1 A 47 47 VAL C C 89 173.675 174.536 -0.861 1
1 572 . 9 1 1 A 47 47 VAL CA C 89 60.713 60.923 -0.210 1
1 573 . 9 1 1 A 47 47 VAL CB C 89 33.847 33.743 0.104 1
1 576 . 9 1 1 A 47 47 VAL N N 89 123.380 122.747 0.633 1
1 577 . 9 1 1 A 48 48 LEU H H 90 8.757 9.054 -0.297 1
1 578 . 9 1 1 A 48 48 LEU HA H 90 5.181 4.826 0.355 1
1 588 . 9 1 1 A 48 48 LEU C C 90 175.118 175.167 -0.049 1
1 589 . 9 1 1 A 48 48 LEU CA C 90 53.567 53.665 -0.098 1
1 590 . 9 1 1 A 48 48 LEU CB C 90 45.758 42.580 3.178 1
1 594 . 9 1 1 A 48 48 LEU N N 90 125.653 130.017 -4.364 1
1 595 . 9 1 1 A 49 49 TYR H H 91 9.355 9.000 0.355 1
1 596 . 9 1 1 A 49 49 TYR HA H 91 5.196 5.069 0.127 1
1 603 . 9 1 1 A 49 49 TYR C C 91 172.437 174.235 -1.798 1
1 604 . 9 1 1 A 49 49 TYR CA C 91 56.490 56.505 -0.015 1
1 605 . 9 1 1 A 49 49 TYR CB C 91 41.602 40.041 1.561 1
1 610 . 9 1 1 A 49 49 TYR N N 91 129.351 128.852 0.499 1
1 611 . 9 1 1 A 50 50 LYS H H 92 7.805 8.445 -0.640 1
1 612 . 9 1 1 A 50 50 LYS HA H 92 4.450 4.834 -0.384 1
1 621 . 9 1 1 A 50 50 LYS C C 92 173.949 175.305 -1.356 1
1 622 . 9 1 1 A 50 50 LYS CA C 92 55.264 54.444 0.820 1
1 623 . 9 1 1 A 50 50 LYS CB C 92 32.484 35.328 -2.844 1
1 627 . 9 1 1 A 50 50 LYS N N 92 127.571 126.774 0.797 1
1 628 . 9 1 1 A 51 51 GLY H H 93 7.147 7.938 -0.791 1
1 629 . 9 1 1 A 51 51 GLY HA2 H 93 3.810 3.878 -0.068 1
1 630 . 9 1 1 A 51 51 GLY HA3 H 93 3.609 3.987 -0.378 1
1 631 . 9 1 1 A 51 51 GLY C C 93 170.582 172.726 -2.144 1
1 632 . 9 1 1 A 51 51 GLY CA C 93 43.645 43.725 -0.080 1
1 633 . 9 1 1 A 51 51 GLY N N 93 111.723 108.710 3.013 1
1 634 . 9 1 1 A 52 52 ALA H H 94 8.185 8.137 0.048 1
1 635 . 9 1 1 A 52 52 ALA HA H 94 4.273 4.314 -0.041 1
1 639 . 9 1 1 A 52 52 ALA C C 94 178.775 177.306 1.469 1
1 640 . 9 1 1 A 52 52 ALA CA C 94 52.381 52.236 0.145 1
1 641 . 9 1 1 A 52 52 ALA CB C 94 18.392 18.785 -0.393 1
1 642 . 9 1 1 A 52 52 ALA N N 94 119.165 123.039 -3.874 1
1 643 . 9 1 1 A 53 53 VAL H H 95 8.967 8.624 0.343 1
1 644 . 9 1 1 A 53 53 VAL HA H 95 4.200 4.506 -0.306 1
1 652 . 9 1 1 A 53 53 VAL C C 95 174.416 174.747 -0.331 1
1 653 . 9 1 1 A 53 53 VAL CA C 95 60.028 60.661 -0.633 1
1 654 . 9 1 1 A 53 53 VAL CB C 95 32.712 32.118 0.594 1
1 657 . 9 1 1 A 53 53 VAL N N 95 127.597 124.678 2.919 1
1 658 . 9 1 1 A 54 54 PRO HA H 96 4.609 4.691 -0.082 1
1 665 . 9 1 1 A 54 54 PRO C C 96 177.752 177.211 0.541 1
1 666 . 9 1 1 A 54 54 PRO CA C 96 62.907 62.870 0.037 1
1 667 . 9 1 1 A 54 54 PRO CB C 96 32.850 32.809 0.041 1
1 670 . 9 1 1 A 55 55 ASP H H 97 9.047 8.722 0.325 1
1 671 . 9 1 1 A 55 55 ASP HA H 97 4.459 4.360 0.099 1
1 674 . 9 1 1 A 55 55 ASP C C 97 176.541 177.687 -1.146 1
1 675 . 9 1 1 A 55 55 ASP CA C 97 56.434 56.412 0.022 1
1 676 . 9 1 1 A 55 55 ASP CB C 97 39.845 40.291 -0.446 1
1 677 . 9 1 1 A 55 55 ASP N N 97 122.223 122.935 -0.712 1
1 678 . 9 1 1 A 56 56 THR H H 98 7.196 7.571 -0.375 1
1 679 . 9 1 1 A 56 56 THR HA H 98 4.105 4.259 -0.154 1
1 684 . 9 1 1 A 56 56 THR C C 98 174.743 174.932 -0.189 1
1 685 . 9 1 1 A 56 56 THR CA C 98 60.857 63.897 -3.040 1
1 686 . 9 1 1 A 56 56 THR CB C 98 69.227 69.138 0.089 1
1 688 . 9 1 1 A 56 56 THR N N 98 105.196 109.970 -4.774 1
1 689 . 9 1 1 A 57 57 PHE H H 99 7.766 7.570 0.196 1
1 690 . 9 1 1 A 57 57 PHE HA H 99 3.752 4.279 -0.527 1
1 698 . 9 1 1 A 57 57 PHE C C 99 172.629 174.383 -1.754 1
1 699 . 9 1 1 A 57 57 PHE CA C 99 60.570 59.574 0.996 1
1 700 . 9 1 1 A 57 57 PHE CB C 99 40.156 39.648 0.508 1
1 706 . 9 1 1 A 57 57 PHE N N 99 122.514 124.100 -1.586 1
1 707 . 9 1 1 A 58 58 LYS H H 100 6.468 8.243 -1.775 1
1 708 . 9 1 1 A 58 58 LYS HA H 100 4.409 4.580 -0.171 1
1 717 . 9 1 1 A 58 58 LYS C C 100 171.564 172.893 -1.329 1
1 718 . 9 1 1 A 58 58 LYS CA C 100 53.643 53.741 -0.098 1
1 719 . 9 1 1 A 58 58 LYS CB C 100 32.382 35.345 -2.963 1
1 723 . 9 1 1 A 58 58 LYS N N 100 125.478 122.861 2.617 1
1 724 . 9 1 1 A 59 59 PRO HA H 101 3.708 4.155 -0.447 1
1 731 . 9 1 1 A 59 59 PRO C C 101 176.868 177.555 -0.687 1
1 732 . 9 1 1 A 59 59 PRO CA C 101 63.881 63.624 0.257 1
1 733 . 9 1 1 A 59 59 PRO CB C 101 31.168 31.257 -0.089 1
1 736 . 9 1 1 A 60 60 GLY H H 102 9.269 8.662 0.607 1
1 737 . 9 1 1 A 60 60 GLY HA2 H 102 4.299 3.856 0.443 1
1 738 . 9 1 1 A 60 60 GLY HA3 H 102 3.502 3.861 -0.359 1
1 739 . 9 1 1 A 60 60 GLY C C 102 174.023 174.458 -0.435 1
1 740 . 9 1 1 A 60 60 GLY CA C 102 45.005 45.095 -0.090 1
1 741 . 9 1 1 A 60 60 GLY N N 102 112.023 112.294 -0.271 1
1 742 . 9 1 1 A 61 61 VAL H H 103 7.321 7.326 -0.005 1
1 743 . 9 1 1 A 61 61 VAL HA H 103 4.279 4.192 0.087 1
1 751 . 9 1 1 A 61 61 VAL C C 103 174.073 175.290 -1.217 1
1 752 . 9 1 1 A 61 61 VAL CA C 103 61.277 61.767 -0.490 1
1 753 . 9 1 1 A 61 61 VAL CB C 103 32.882 32.652 0.230 1
1 756 . 9 1 1 A 61 61 VAL N N 103 118.571 122.004 -3.433 1
1 757 . 9 1 1 A 62 62 GLU H H 104 8.204 8.472 -0.268 1
1 758 . 9 1 1 A 62 62 GLU HA H 104 4.946 4.777 0.169 1
1 763 . 9 1 1 A 62 62 GLU C C 104 176.252 176.423 -0.171 1
1 764 . 9 1 1 A 62 62 GLU CA C 104 55.398 56.504 -1.106 1
1 765 . 9 1 1 A 62 62 GLU CB C 104 30.129 30.147 -0.018 1
1 767 . 9 1 1 A 62 62 GLU N N 104 123.214 126.684 -3.470 1
1 768 . 9 1 1 A 63 63 VAL H H 105 9.066 8.640 0.426 1
1 769 . 9 1 1 A 63 63 VAL HA H 105 5.297 4.913 0.384 1
1 777 . 9 1 1 A 63 63 VAL C C 105 173.913 174.700 -0.787 1
1 778 . 9 1 1 A 63 63 VAL CA C 105 58.284 60.090 -1.806 1
1 779 . 9 1 1 A 63 63 VAL CB C 105 36.265 33.853 2.412 1
1 782 . 9 1 1 A 63 63 VAL N N 105 115.526 119.329 -3.803 1
1 783 . 9 1 1 A 64 64 ILE H H 106 8.542 8.955 -0.413 1
1 784 . 9 1 1 A 64 64 ILE HA H 106 4.775 4.595 0.180 1
1 794 . 9 1 1 A 64 64 ILE C C 106 176.511 175.726 0.785 1
1 795 . 9 1 1 A 64 64 ILE CA C 106 60.804 60.058 0.746 1
1 796 . 9 1 1 A 64 64 ILE CB C 106 40.991 39.675 1.316 1
1 800 . 9 1 1 A 64 64 ILE N N 106 120.283 122.584 -2.301 1
1 801 . 9 1 1 A 65 65 ILE H H 107 8.944 8.616 0.328 1
1 802 . 9 1 1 A 65 65 ILE HA H 107 5.197 5.011 0.186 1
1 812 . 9 1 1 A 65 65 ILE C C 107 174.076 174.309 -0.233 1
1 813 . 9 1 1 A 65 65 ILE CA C 107 58.384 59.123 -0.739 1
1 814 . 9 1 1 A 65 65 ILE CB C 107 42.082 39.831 2.251 1
1 818 . 9 1 1 A 65 65 ILE N N 107 122.157 123.439 -1.282 1
1 819 . 9 1 1 A 66 66 GLU H H 108 7.762 8.760 -0.998 1
1 820 . 9 1 1 A 66 66 GLU HA H 108 5.801 5.364 0.437 1
1 825 . 9 1 1 A 66 66 GLU C C 108 176.789 175.636 1.153 1
1 826 . 9 1 1 A 66 66 GLU CA C 108 54.063 55.295 -1.232 1
1 827 . 9 1 1 A 66 66 GLU CB C 108 32.818 33.282 -0.464 1
1 829 . 9 1 1 A 66 66 GLU N N 108 119.473 122.803 -3.330 1
1 830 . 9 1 1 A 67 67 GLY H H 109 9.064 8.437 0.627 1
1 831 . 9 1 1 A 67 67 GLY HA2 H 109 4.773 4.298 0.475 1
1 832 . 9 1 1 A 67 67 GLY HA3 H 109 3.948 4.314 -0.366 1
1 833 . 9 1 1 A 67 67 GLY C C 109 170.431 171.959 -1.528 1
1 834 . 9 1 1 A 67 67 GLY CA C 109 46.598 46.056 0.542 1
1 835 . 9 1 1 A 67 67 GLY N N 109 112.366 113.315 -0.949 1
1 836 . 9 1 1 A 68 68 GLY H H 110 7.116 7.564 -0.448 1
1 837 . 9 1 1 A 68 68 GLY HA2 H 110 3.949 3.920 0.029 1
1 838 . 9 1 1 A 68 68 GLY HA3 H 110 3.732 4.052 -0.320 1
1 839 . 9 1 1 A 68 68 GLY C C 110 170.827 171.137 -0.310 1
1 840 . 9 1 1 A 68 68 GLY CA C 110 45.228 45.068 0.160 1
1 841 . 9 1 1 A 68 68 GLY N N 110 109.402 109.603 -0.201 1
1 842 . 9 1 1 A 69 69 LEU H H 111 8.542 8.472 0.070 1
1 843 . 9 1 1 A 69 69 LEU HA H 111 4.546 4.757 -0.211 1
1 853 . 9 1 1 A 69 69 LEU C C 111 175.890 174.341 1.549 1
1 854 . 9 1 1 A 69 69 LEU CA C 111 54.400 54.226 0.174 1
1 855 . 9 1 1 A 69 69 LEU CB C 111 43.814 45.973 -2.159 1
1 859 . 9 1 1 A 69 69 LEU N N 111 122.808 120.811 1.997 1
1 860 . 9 1 1 A 70 70 ALA H H 112 8.889 8.300 0.589 1
1 861 . 9 1 1 A 70 70 ALA HA H 112 4.639 4.561 0.078 1
1 865 . 9 1 1 A 70 70 ALA C C 112 174.900 176.516 -1.616 1
1 866 . 9 1 1 A 70 70 ALA CA C 112 49.951 50.358 -0.407 1
1 867 . 9 1 1 A 70 70 ALA CB C 112 18.111 19.453 -1.342 1
1 868 . 9 1 1 A 70 70 ALA N N 112 130.675 129.037 1.638 1
1 869 . 9 1 1 A 71 71 PRO HA H 113 4.338 4.317 0.021 1
1 876 . 9 1 1 A 71 71 PRO C C 113 178.206 177.437 0.769 1
1 877 . 9 1 1 A 71 71 PRO CA C 113 64.055 63.392 0.663 1
1 878 . 9 1 1 A 71 71 PRO CB C 113 31.754 30.478 1.276 1
1 881 . 9 1 1 A 72 72 GLY H H 114 8.748 8.344 0.404 1
1 882 . 9 1 1 A 72 72 GLY HA2 H 114 4.165 3.997 0.168 1
1 883 . 9 1 1 A 72 72 GLY HA3 H 114 3.775 4.002 -0.227 1
1 884 . 9 1 1 A 72 72 GLY C C 114 174.200 174.513 -0.313 1
1 885 . 9 1 1 A 72 72 GLY CA C 114 45.602 45.326 0.276 1
1 886 . 9 1 1 A 72 72 GLY N N 114 111.945 113.054 -1.109 1
1 887 . 9 1 1 A 73 73 GLU H H 115 7.931 7.931 0.000 1
1 888 . 9 1 1 A 73 73 GLU HA H 115 4.581 4.337 0.244 1
1 893 . 9 1 1 A 73 73 GLU C C 115 175.843 176.932 -1.089 1
1 894 . 9 1 1 A 73 73 GLU CA C 115 55.732 56.671 -0.939 1
1 895 . 9 1 1 A 73 73 GLU CB C 115 31.128 31.805 -0.677 1
1 897 . 9 1 1 A 73 73 GLU N N 115 118.591 121.472 -2.881 1
1 898 . 9 1 1 A 74 74 ASP H H 116 8.467 8.861 -0.394 1
1 899 . 9 1 1 A 74 74 ASP HA H 116 4.823 4.624 0.199 1
1 902 . 9 1 1 A 74 74 ASP C C 116 175.848 175.655 0.193 1
1 903 . 9 1 1 A 74 74 ASP CA C 116 53.831 55.971 -2.140 1
1 904 . 9 1 1 A 74 74 ASP CB C 116 41.052 41.931 -0.879 1
1 905 . 9 1 1 A 74 74 ASP N N 116 118.021 124.828 -6.807 1
1 906 . 9 1 1 A 75 75 THR H H 117 7.301 7.904 -0.603 1
1 907 . 9 1 1 A 75 75 THR HA H 117 4.620 5.317 -0.697 1
1 912 . 9 1 1 A 75 75 THR C C 117 172.120 173.226 -1.106 1
1 913 . 9 1 1 A 75 75 THR CA C 117 61.907 60.298 1.609 1
1 914 . 9 1 1 A 75 75 THR CB C 117 71.398 71.017 0.381 1
1 916 . 9 1 1 A 75 75 THR N N 117 114.820 112.978 1.842 1
1 917 . 9 1 1 A 76 76 PHE H H 118 9.657 9.119 0.538 1
1 918 . 9 1 1 A 76 76 PHE HA H 118 4.290 4.605 -0.315 1
1 926 . 9 1 1 A 76 76 PHE C C 118 174.118 174.006 0.112 1
1 927 . 9 1 1 A 76 76 PHE CA C 118 58.185 57.326 0.859 1
1 928 . 9 1 1 A 76 76 PHE CB C 118 40.718 39.382 1.336 1
1 934 . 9 1 1 A 76 76 PHE N N 118 130.378 129.387 0.991 1
1 935 . 9 1 1 A 77 77 LYS H H 119 8.364 8.438 -0.074 1
1 936 . 9 1 1 A 77 77 LYS HA H 119 4.853 4.909 -0.056 1
1 945 . 9 1 1 A 77 77 LYS C C 119 175.278 175.216 0.062 1
1 946 . 9 1 1 A 77 77 LYS CA C 119 55.282 55.719 -0.437 1
1 947 . 9 1 1 A 77 77 LYS CB C 119 31.319 32.172 -0.853 1
1 951 . 9 1 1 A 77 77 LYS N N 119 129.777 127.277 2.500 1
1 952 . 9 1 1 A 78 78 ALA H H 120 8.837 8.703 0.134 1
1 953 . 9 1 1 A 78 78 ALA HA H 120 4.828 4.783 0.045 1
1 957 . 9 1 1 A 78 78 ALA C C 120 176.015 177.711 -1.696 1
1 958 . 9 1 1 A 78 78 ALA CA C 120 51.435 52.452 -1.017 1
1 959 . 9 1 1 A 78 78 ALA CB C 120 20.006 19.404 0.602 1
1 960 . 9 1 1 A 78 78 ALA N N 120 129.771 129.159 0.612 1
1 961 . 9 1 1 A 79 79 ARG H H 121 9.846 8.688 1.158 1
1 962 . 9 1 1 A 79 79 ARG HA H 121 4.582 4.162 0.420 1
1 970 . 9 1 1 A 79 79 ARG C C 121 176.651 175.785 0.866 1
1 971 . 9 1 1 A 79 79 ARG CA C 121 57.420 58.435 -1.015 1
1 972 . 9 1 1 A 79 79 ARG CB C 121 31.773 30.901 0.872 1
1 975 . 9 1 1 A 79 79 ARG N N 121 125.113 125.135 -0.022 1
1 977 . 9 1 1 A 80 80 THR H H 122 7.938 7.658 0.280 1
1 978 . 9 1 1 A 80 80 THR HA H 122 4.921 5.344 -0.423 1
1 983 . 9 1 1 A 80 80 THR C C 122 172.002 172.442 -0.440 1
1 984 . 9 1 1 A 80 80 THR CA C 122 60.475 61.105 -0.630 1
1 985 . 9 1 1 A 80 80 THR CB C 122 72.093 72.983 -0.890 1
1 987 . 9 1 1 A 80 80 THR N N 122 109.595 111.016 -1.421 1
1 988 . 9 1 1 A 81 81 LEU H H 123 8.196 8.653 -0.457 1
1 989 . 9 1 1 A 81 81 LEU HA H 123 4.701 4.858 -0.157 1
1 999 . 9 1 1 A 81 81 LEU C C 123 173.804 174.471 -0.667 1
1 1000 . 9 1 1 A 81 81 LEU CA C 123 55.357 53.759 1.598 1
1 1001 . 9 1 1 A 81 81 LEU CB C 123 44.009 45.756 -1.747 1
1 1005 . 9 1 1 A 81 81 LEU N N 123 123.214 125.457 -2.243 1
1 1006 . 9 1 1 A 82 82 MET H H 124 8.700 8.307 0.393 1
1 1007 . 9 1 1 A 82 82 MET HA H 124 4.841 4.831 0.010 1
1 1015 . 9 1 1 A 82 82 MET C C 124 175.097 175.076 0.021 1
1 1016 . 9 1 1 A 82 82 MET CA C 124 54.190 54.840 -0.650 1
1 1017 . 9 1 1 A 82 82 MET CB C 124 36.191 35.336 0.855 1
1 1020 . 9 1 1 A 82 82 MET N N 124 124.452 123.978 0.474 1
1 1021 . 9 1 1 A 83 83 THR H H 125 8.671 8.702 -0.031 1
1 1022 . 9 1 1 A 83 83 THR HA H 125 4.934 4.373 0.561 1
1 1027 . 9 1 1 A 83 83 THR C C 125 174.094 175.285 -1.191 1
1 1028 . 9 1 1 A 83 83 THR CA C 125 60.253 61.661 -1.408 1
1 1029 . 9 1 1 A 83 83 THR CB C 125 69.831 69.350 0.481 1
1 1031 . 9 1 1 A 83 83 THR N N 125 113.070 117.307 -4.237 1
1 1032 . 9 1 1 A 84 84 LYS H H 126 8.419 8.806 -0.387 1
1 1033 . 9 1 1 A 84 84 LYS HA H 126 4.446 4.220 0.226 1
1 1042 . 9 1 1 A 84 84 LYS C C 126 175.461 176.449 -0.988 1
1 1043 . 9 1 1 A 84 84 LYS CA C 126 55.500 58.102 -2.602 1
1 1044 . 9 1 1 A 84 84 LYS CB C 126 33.736 33.042 0.694 1
1 1048 . 9 1 1 A 84 84 LYS N N 126 123.139 125.165 -2.026 1
1 1049 . 9 1 1 A 85 85 CYS H H 127 8.543 7.171 1.372 1
1 1050 . 9 1 1 A 85 85 CYS HA H 127 4.795 4.639 0.156 1
1 1053 . 9 1 1 A 85 85 CYS C C 127 172.809 173.168 -0.359 1
1 1054 . 9 1 1 A 85 85 CYS CA C 127 56.423 56.552 -0.129 1
1 1055 . 9 1 1 A 85 85 CYS CB C 127 27.739 27.468 0.271 1
1 1056 . 9 1 1 A 85 85 CYS N N 127 123.709 117.081 6.628 1
1 1057 . 9 1 1 A 86 86 PRO HA H 128 4.439 4.526 -0.087 1
1 1064 . 9 1 1 A 86 86 PRO C C 128 176.560 176.498 0.062 1
1 1065 . 9 1 1 A 86 86 PRO CA C 128 63.292 62.575 0.717 1
1 1066 . 9 1 1 A 86 86 PRO CB C 128 32.165 32.339 -0.174 1
1 1069 . 9 1 1 A 87 87 LEU H H 129 8.274 8.476 -0.202 1
1 1070 . 9 1 1 A 87 87 LEU HA H 129 4.256 4.349 -0.093 1
1 1080 . 9 1 1 A 87 87 LEU C C 129 177.141 176.882 0.259 1
1 1081 . 9 1 1 A 87 87 LEU CA C 129 55.281 54.914 0.367 1
1 1082 . 9 1 1 A 87 87 LEU CB C 129 42.299 41.959 0.340 1
1 1086 . 9 1 1 A 87 87 LEU N N 129 122.188 123.690 -1.502 1
1 1 . 10 1 1 A 2 2 ALA HA H 44 4.214 4.672 -0.458 1
1 5 . 10 1 1 A 2 2 ALA C C 44 173.758 176.368 -2.610 1
1 6 . 10 1 1 A 2 2 ALA CA C 44 51.848 51.205 0.643 1
1 7 . 10 1 1 A 2 2 ALA CB C 44 19.505 19.773 -0.268 1
1 8 . 10 1 1 A 3 3 THR H H 45 8.709 8.354 0.355 1
1 9 . 10 1 1 A 3 3 THR HA H 45 4.694 5.231 -0.537 1
1 14 . 10 1 1 A 3 3 THR CA C 45 60.191 59.229 0.962 1
1 15 . 10 1 1 A 3 3 THR CB C 45 69.815 70.338 -0.523 1
1 17 . 10 1 1 A 3 3 THR N N 45 116.649 114.830 1.819 1
1 18 . 10 1 1 A 4 4 PRO HA H 46 4.412 4.642 -0.230 1
1 25 . 10 1 1 A 4 4 PRO C C 46 177.212 175.062 2.150 1
1 26 . 10 1 1 A 4 4 PRO CA C 46 63.698 62.700 0.998 1
1 27 . 10 1 1 A 4 4 PRO CB C 46 32.117 29.215 2.902 1
1 30 . 10 1 1 A 5 5 GLN H H 47 8.463 7.887 0.576 1
1 31 . 10 1 1 A 5 5 GLN HA H 47 4.260 4.590 -0.330 1
1 38 . 10 1 1 A 5 5 GLN C C 47 176.073 174.525 1.548 1
1 39 . 10 1 1 A 5 5 GLN CA C 47 56.328 55.021 1.307 1
1 40 . 10 1 1 A 5 5 GLN CB C 47 29.286 29.098 0.188 1
1 43 . 10 1 1 A 5 5 GLN N N 47 119.945 122.068 -2.123 1
1 45 . 10 1 1 A 6 6 ASP H H 48 8.276 8.539 -0.263 1
1 46 . 10 1 1 A 6 6 ASP HA H 48 4.558 5.146 -0.588 1
1 49 . 10 1 1 A 6 6 ASP C C 48 176.454 174.873 1.581 1
1 50 . 10 1 1 A 6 6 ASP CA C 48 54.538 53.543 0.995 1
1 51 . 10 1 1 A 6 6 ASP CB C 48 40.873 43.723 -2.850 1
1 52 . 10 1 1 A 6 6 ASP N N 48 120.974 125.903 -4.929 1
1 53 . 10 1 1 A 7 7 LYS H H 49 8.218 8.858 -0.640 1
1 54 . 10 1 1 A 7 7 LYS HA H 49 4.264 4.742 -0.478 1
1 63 . 10 1 1 A 7 7 LYS C C 49 176.665 176.882 -0.217 1
1 64 . 10 1 1 A 7 7 LYS CA C 49 56.655 55.373 1.282 1
1 65 . 10 1 1 A 7 7 LYS CB C 49 32.837 33.243 -0.406 1
1 69 . 10 1 1 A 7 7 LYS N N 49 120.950 117.394 3.556 1
1 70 . 10 1 1 A 8 8 LEU H H 50 8.010 7.473 0.537 1
1 71 . 10 1 1 A 8 8 LEU HA H 50 4.279 4.059 0.220 1
1 81 . 10 1 1 A 8 8 LEU C C 50 177.110 177.430 -0.320 1
1 82 . 10 1 1 A 8 8 LEU CA C 50 55.353 57.703 -2.350 1
1 83 . 10 1 1 A 8 8 LEU CB C 50 42.302 41.820 0.482 1
1 87 . 10 1 1 A 8 8 LEU N N 50 121.105 120.456 0.649 1
1 88 . 10 1 1 A 9 9 HIS H H 51 8.411 8.059 0.352 1
1 89 . 10 1 1 A 9 9 HIS HA H 51 4.780 4.654 0.126 1
1 92 . 10 1 1 A 9 9 HIS C C 51 174.285 174.236 0.049 1
1 93 . 10 1 1 A 9 9 HIS CA C 51 55.320 55.162 0.158 1
1 94 . 10 1 1 A 9 9 HIS CB C 51 28.827 27.899 0.928 1
1 95 . 10 1 1 A 9 9 HIS N N 51 119.035 115.648 3.387 1
1 96 . 10 1 1 A 10 10 THR H H 52 8.178 8.124 0.054 1
1 97 . 10 1 1 A 10 10 THR HA H 52 4.488 4.293 0.195 1
1 102 . 10 1 1 A 10 10 THR C C 52 173.766 174.142 -0.376 1
1 103 . 10 1 1 A 10 10 THR CA C 52 62.392 62.893 -0.501 1
1 104 . 10 1 1 A 10 10 THR CB C 52 70.104 69.898 0.206 1
1 106 . 10 1 1 A 10 10 THR N N 52 117.285 119.272 -1.987 1
1 107 . 10 1 1 A 11 11 VAL H H 53 9.088 8.673 0.415 1
1 108 . 10 1 1 A 11 11 VAL HA H 53 4.464 4.547 -0.083 1
1 116 . 10 1 1 A 11 11 VAL C C 53 174.048 174.496 -0.448 1
1 117 . 10 1 1 A 11 11 VAL CA C 53 61.359 61.544 -0.185 1
1 118 . 10 1 1 A 11 11 VAL CB C 53 34.602 32.800 1.802 1
1 121 . 10 1 1 A 11 11 VAL N N 53 123.969 126.576 -2.607 1
1 122 . 10 1 1 A 12 12 ARG H H 54 8.386 9.078 -0.692 1
1 123 . 10 1 1 A 12 12 ARG HA H 54 5.495 5.203 0.292 1
1 131 . 10 1 1 A 12 12 ARG C C 54 175.364 174.557 0.807 1
1 132 . 10 1 1 A 12 12 ARG CA C 54 54.401 54.803 -0.402 1
1 133 . 10 1 1 A 12 12 ARG CB C 54 32.753 31.971 0.782 1
1 136 . 10 1 1 A 12 12 ARG N N 54 125.294 128.993 -3.699 1
1 138 . 10 1 1 A 13 13 LEU H H 55 8.828 8.830 -0.002 1
1 139 . 10 1 1 A 13 13 LEU HA H 55 4.726 4.823 -0.097 1
1 149 . 10 1 1 A 13 13 LEU C C 55 174.223 174.113 0.110 1
1 150 . 10 1 1 A 13 13 LEU CA C 55 53.309 52.818 0.491 1
1 151 . 10 1 1 A 13 13 LEU CB C 55 45.884 44.431 1.453 1
1 155 . 10 1 1 A 13 13 LEU N N 55 124.874 128.439 -3.565 1
1 156 . 10 1 1 A 14 14 PHE H H 56 8.195 8.870 -0.675 1
1 157 . 10 1 1 A 14 14 PHE HA H 56 5.576 5.389 0.187 1
1 165 . 10 1 1 A 14 14 PHE C C 56 175.266 175.618 -0.352 1
1 166 . 10 1 1 A 14 14 PHE CA C 56 55.009 55.632 -0.623 1
1 167 . 10 1 1 A 14 14 PHE CB C 56 42.340 42.258 0.082 1
1 173 . 10 1 1 A 14 14 PHE N N 56 118.334 124.669 -6.335 1
1 174 . 10 1 1 A 15 15 GLY H H 57 8.134 8.038 0.096 1
1 175 . 10 1 1 A 15 15 GLY HA2 H 57 4.229 4.201 0.028 1
1 176 . 10 1 1 A 15 15 GLY HA3 H 57 4.004 4.215 -0.211 1
1 177 . 10 1 1 A 15 15 GLY C C 57 171.108 171.708 -0.600 1
1 178 . 10 1 1 A 15 15 GLY CA C 57 45.857 46.275 -0.418 1
1 179 . 10 1 1 A 15 15 GLY N N 57 109.159 109.137 0.022 1
1 180 . 10 1 1 A 16 16 THR H H 58 8.595 8.570 0.025 1
1 181 . 10 1 1 A 16 16 THR HA H 58 5.114 5.171 -0.057 1
1 186 . 10 1 1 A 16 16 THR C C 58 174.484 174.124 0.360 1
1 187 . 10 1 1 A 16 16 THR CA C 58 60.591 61.448 -0.857 1
1 188 . 10 1 1 A 16 16 THR CB C 58 71.164 71.300 -0.136 1
1 190 . 10 1 1 A 16 16 THR N N 58 113.580 115.785 -2.205 1
1 191 . 10 1 1 A 17 17 VAL H H 59 8.053 8.528 -0.475 1
1 192 . 10 1 1 A 17 17 VAL HA H 59 3.876 4.172 -0.296 1
1 200 . 10 1 1 A 17 17 VAL C C 59 176.315 175.771 0.544 1
1 201 . 10 1 1 A 17 17 VAL CA C 59 63.549 62.941 0.608 1
1 202 . 10 1 1 A 17 17 VAL CB C 59 32.779 31.353 1.426 1
1 205 . 10 1 1 A 17 17 VAL N N 59 124.410 127.096 -2.686 1
1 206 . 10 1 1 A 18 18 ALA H H 60 8.931 8.520 0.411 1
1 207 . 10 1 1 A 18 18 ALA HA H 60 4.354 4.449 -0.095 1
1 211 . 10 1 1 A 18 18 ALA C C 60 177.293 177.743 -0.450 1
1 212 . 10 1 1 A 18 18 ALA CA C 60 52.138 51.730 0.408 1
1 213 . 10 1 1 A 18 18 ALA CB C 60 19.782 19.827 -0.045 1
1 214 . 10 1 1 A 18 18 ALA N N 60 133.912 129.923 3.989 1
1 215 . 10 1 1 A 19 19 ALA H H 61 8.548 8.770 -0.222 1
1 216 . 10 1 1 A 19 19 ALA HA H 61 4.105 4.173 -0.068 1
1 220 . 10 1 1 A 19 19 ALA C C 61 178.793 177.536 1.257 1
1 221 . 10 1 1 A 19 19 ALA CA C 61 54.218 54.210 0.008 1
1 222 . 10 1 1 A 19 19 ALA CB C 61 18.969 19.149 -0.180 1
1 223 . 10 1 1 A 19 19 ALA N N 61 121.667 122.710 -1.043 1
1 224 . 10 1 1 A 20 20 ASP H H 62 8.117 7.826 0.291 1
1 225 . 10 1 1 A 20 20 ASP HA H 62 4.602 4.701 -0.099 1
1 228 . 10 1 1 A 20 20 ASP C C 62 177.210 177.055 0.155 1
1 229 . 10 1 1 A 20 20 ASP CA C 62 54.575 54.499 0.076 1
1 230 . 10 1 1 A 20 20 ASP CB C 62 41.188 39.693 1.495 1
1 231 . 10 1 1 A 20 20 ASP N N 62 115.534 116.957 -1.423 1
1 232 . 10 1 1 A 21 21 GLY H H 63 8.996 8.614 0.382 1
1 233 . 10 1 1 A 21 21 GLY HA2 H 63 4.311 4.264 0.047 1
1 234 . 10 1 1 A 21 21 GLY HA3 H 63 3.888 4.290 -0.402 1
1 235 . 10 1 1 A 21 21 GLY C C 63 173.384 173.976 -0.592 1
1 236 . 10 1 1 A 21 21 GLY CA C 63 46.124 46.712 -0.588 1
1 237 . 10 1 1 A 21 21 GLY N N 63 112.754 113.260 -0.506 1
1 238 . 10 1 1 A 22 22 LEU H H 64 7.380 7.946 -0.566 1
1 239 . 10 1 1 A 22 22 LEU HA H 64 4.964 5.273 -0.309 1
1 249 . 10 1 1 A 22 22 LEU C C 64 178.011 174.676 3.335 1
1 250 . 10 1 1 A 22 22 LEU CA C 64 57.159 54.632 2.527 1
1 251 . 10 1 1 A 22 22 LEU CB C 64 42.160 44.854 -2.694 1
1 255 . 10 1 1 A 22 22 LEU N N 64 123.991 120.206 3.785 1
1 256 . 10 1 1 A 23 23 THR H H 65 9.752 9.427 0.325 1
1 257 . 10 1 1 A 23 23 THR HA H 65 4.755 5.118 -0.363 1
1 262 . 10 1 1 A 23 23 THR C C 65 173.249 173.332 -0.083 1
1 263 . 10 1 1 A 23 23 THR CA C 65 61.231 61.912 -0.681 1
1 264 . 10 1 1 A 23 23 THR CB C 65 71.995 71.148 0.847 1
1 266 . 10 1 1 A 23 23 THR N N 65 124.024 123.201 0.823 1
1 267 . 10 1 1 A 24 24 MET H H 66 8.881 8.616 0.265 1
1 268 . 10 1 1 A 24 24 MET HA H 66 5.019 4.913 0.106 1
1 276 . 10 1 1 A 24 24 MET C C 66 176.750 176.212 0.538 1
1 277 . 10 1 1 A 24 24 MET CA C 66 54.452 53.972 0.480 1
1 278 . 10 1 1 A 24 24 MET CB C 66 31.809 33.202 -1.393 1
1 281 . 10 1 1 A 24 24 MET N N 66 125.215 126.627 -1.412 1
1 282 . 10 1 1 A 25 25 LEU H H 67 8.037 8.319 -0.282 1
1 283 . 10 1 1 A 25 25 LEU HA H 67 4.253 4.223 0.030 1
1 293 . 10 1 1 A 25 25 LEU C C 67 176.617 176.409 0.208 1
1 294 . 10 1 1 A 25 25 LEU CA C 67 55.259 55.249 0.010 1
1 295 . 10 1 1 A 25 25 LEU CB C 67 41.019 41.480 -0.461 1
1 299 . 10 1 1 A 25 25 LEU N N 67 123.282 123.017 0.265 1
1 300 . 10 1 1 A 26 26 ASP H H 68 8.419 8.889 -0.470 1
1 301 . 10 1 1 A 26 26 ASP HA H 68 4.695 4.434 0.261 1
1 304 . 10 1 1 A 26 26 ASP C C 68 176.728 177.356 -0.628 1
1 305 . 10 1 1 A 26 26 ASP CA C 68 53.907 55.648 -1.741 1
1 306 . 10 1 1 A 26 26 ASP CB C 68 41.338 40.320 1.018 1
1 307 . 10 1 1 A 26 26 ASP N N 68 120.434 124.776 -4.342 1
1 308 . 10 1 1 A 27 27 GLY H H 69 8.607 8.816 -0.209 1
1 309 . 10 1 1 A 27 27 GLY HA2 H 69 4.055 3.870 0.185 1
1 310 . 10 1 1 A 27 27 GLY HA3 H 69 3.665 3.872 -0.207 1
1 311 . 10 1 1 A 27 27 GLY C C 69 173.151 173.407 -0.256 1
1 312 . 10 1 1 A 27 27 GLY CA C 69 45.895 46.064 -0.169 1
1 313 . 10 1 1 A 27 27 GLY N N 69 112.545 111.573 0.972 1
1 314 . 10 1 1 A 28 28 ALA H H 70 7.634 7.519 0.115 1
1 315 . 10 1 1 A 28 28 ALA HA H 70 4.575 4.725 -0.150 1
1 319 . 10 1 1 A 28 28 ALA C C 70 174.090 174.182 -0.092 1
1 320 . 10 1 1 A 28 28 ALA CA C 70 50.137 50.022 0.115 1
1 321 . 10 1 1 A 28 28 ALA CB C 70 19.221 21.810 -2.589 1
1 322 . 10 1 1 A 28 28 ALA N N 70 125.545 120.241 5.304 1
1 323 . 10 1 1 A 29 29 PRO HA H 71 4.462 4.840 -0.378 1
1 330 . 10 1 1 A 29 29 PRO C C 71 176.671 176.079 0.592 1
1 331 . 10 1 1 A 29 29 PRO CA C 71 63.021 63.237 -0.216 1
1 332 . 10 1 1 A 29 29 PRO CB C 71 32.015 31.581 0.434 1
1 335 . 10 1 1 A 30 30 GLY H H 72 7.988 8.081 -0.093 1
1 336 . 10 1 1 A 30 30 GLY HA2 H 72 5.001 4.024 0.977 1
1 337 . 10 1 1 A 30 30 GLY HA3 H 72 3.991 4.046 -0.055 1
1 338 . 10 1 1 A 30 30 GLY C C 72 172.906 171.211 1.695 1
1 339 . 10 1 1 A 30 30 GLY CA C 72 45.642 44.958 0.684 1
1 340 . 10 1 1 A 30 30 GLY N N 72 109.355 109.804 -0.449 1
1 341 . 10 1 1 A 31 31 VAL H H 73 9.332 8.540 0.792 1
1 342 . 10 1 1 A 31 31 VAL HA H 73 5.194 4.830 0.364 1
1 350 . 10 1 1 A 31 31 VAL C C 73 171.443 173.570 -2.127 1
1 351 . 10 1 1 A 31 31 VAL CA C 73 60.233 60.120 0.113 1
1 352 . 10 1 1 A 31 31 VAL CB C 73 35.471 35.050 0.421 1
1 355 . 10 1 1 A 31 31 VAL N N 73 116.539 118.706 -2.167 1
1 356 . 10 1 1 A 32 32 ARG H H 74 8.956 9.142 -0.186 1
1 357 . 10 1 1 A 32 32 ARG HA H 74 5.999 5.528 0.471 1
1 365 . 10 1 1 A 32 32 ARG C C 74 174.581 175.764 -1.183 1
1 366 . 10 1 1 A 32 32 ARG CA C 74 54.187 55.160 -0.973 1
1 367 . 10 1 1 A 32 32 ARG CB C 74 33.463 31.611 1.852 1
1 370 . 10 1 1 A 32 32 ARG N N 74 127.557 129.834 -2.277 1
1 372 . 10 1 1 A 33 33 PHE H H 75 9.262 8.907 0.355 1
1 373 . 10 1 1 A 33 33 PHE HA H 75 5.461 5.549 -0.088 1
1 381 . 10 1 1 A 33 33 PHE C C 75 171.210 172.306 -1.096 1
1 382 . 10 1 1 A 33 33 PHE CA C 75 55.947 55.913 0.034 1
1 383 . 10 1 1 A 33 33 PHE CB C 75 41.151 42.019 -0.868 1
1 389 . 10 1 1 A 33 33 PHE N N 75 120.514 121.436 -0.922 1
1 390 . 10 1 1 A 34 34 ARG H H 76 9.921 8.715 1.206 1
1 391 . 10 1 1 A 34 34 ARG HA H 76 4.368 4.038 0.330 1
1 399 . 10 1 1 A 34 34 ARG C C 76 173.994 174.705 -0.711 1
1 400 . 10 1 1 A 34 34 ARG CA C 76 54.594 55.282 -0.688 1
1 401 . 10 1 1 A 34 34 ARG CB C 76 31.539 31.120 0.419 1
1 404 . 10 1 1 A 34 34 ARG N N 76 122.011 120.766 1.245 1
1 406 . 10 1 1 A 35 35 LEU H H 77 8.781 8.700 0.081 1
1 407 . 10 1 1 A 35 35 LEU HA H 77 4.755 4.971 -0.216 1
1 417 . 10 1 1 A 35 35 LEU C C 77 176.305 174.481 1.824 1
1 418 . 10 1 1 A 35 35 LEU CA C 77 53.188 54.035 -0.847 1
1 419 . 10 1 1 A 35 35 LEU CB C 77 44.689 43.465 1.224 1
1 423 . 10 1 1 A 35 35 LEU N N 77 127.038 128.478 -1.440 1
1 424 . 10 1 1 A 36 36 GLU H H 78 9.342 8.884 0.458 1
1 425 . 10 1 1 A 36 36 GLU HA H 78 4.531 4.718 -0.187 1
1 430 . 10 1 1 A 36 36 GLU C C 78 175.380 175.270 0.110 1
1 431 . 10 1 1 A 36 36 GLU CA C 78 54.829 55.495 -0.666 1
1 432 . 10 1 1 A 36 36 GLU CB C 78 29.842 30.448 -0.606 1
1 434 . 10 1 1 A 36 36 GLU N N 78 126.891 126.417 0.474 1
1 435 . 10 1 1 A 37 37 ASP H H 79 8.418 8.970 -0.552 1
1 436 . 10 1 1 A 37 37 ASP HA H 79 4.630 4.615 0.015 1
1 439 . 10 1 1 A 37 37 ASP C C 79 176.623 178.069 -1.446 1
1 440 . 10 1 1 A 37 37 ASP CA C 79 53.996 54.376 -0.380 1
1 441 . 10 1 1 A 37 37 ASP CB C 79 41.401 40.393 1.008 1
1 442 . 10 1 1 A 37 37 ASP N N 79 125.084 126.817 -1.733 1
1 443 . 10 1 1 A 38 38 LYS H H 80 8.691 8.584 0.107 1
1 444 . 10 1 1 A 38 38 LYS HA H 80 4.064 4.050 0.014 1
1 453 . 10 1 1 A 38 38 LYS C C 80 176.779 177.891 -1.112 1
1 454 . 10 1 1 A 38 38 LYS CA C 80 57.994 59.038 -1.044 1
1 455 . 10 1 1 A 38 38 LYS CB C 80 32.404 31.896 0.508 1
1 459 . 10 1 1 A 38 38 LYS N N 80 124.179 124.997 -0.818 1
1 460 . 10 1 1 A 39 39 ASP H H 81 8.355 8.092 0.263 1
1 461 . 10 1 1 A 39 39 ASP HA H 81 4.591 4.674 -0.083 1
1 464 . 10 1 1 A 39 39 ASP C C 81 175.682 177.223 -1.541 1
1 465 . 10 1 1 A 39 39 ASP CA C 81 54.888 55.684 -0.796 1
1 466 . 10 1 1 A 39 39 ASP CB C 81 41.040 41.879 -0.839 1
1 467 . 10 1 1 A 39 39 ASP N N 81 117.392 118.815 -1.423 1
1 468 . 10 1 1 A 40 40 ASN H H 82 7.954 7.949 0.005 1
1 469 . 10 1 1 A 40 40 ASN HA H 82 4.785 4.902 -0.117 1
1 474 . 10 1 1 A 40 40 ASN C C 82 175.435 175.534 -0.099 1
1 475 . 10 1 1 A 40 40 ASN CA C 82 53.032 51.776 1.256 1
1 476 . 10 1 1 A 40 40 ASN CB C 82 38.471 37.737 0.734 1
1 478 . 10 1 1 A 40 40 ASN N N 82 117.785 116.906 0.879 1
1 480 . 10 1 1 A 41 41 THR H H 83 8.518 7.679 0.839 1
1 481 . 10 1 1 A 41 41 THR HA H 83 4.243 4.185 0.058 1
1 486 . 10 1 1 A 41 41 THR C C 83 175.191 176.250 -1.059 1
1 487 . 10 1 1 A 41 41 THR CA C 83 63.584 64.025 -0.441 1
1 488 . 10 1 1 A 41 41 THR CB C 83 69.267 68.983 0.284 1
1 490 . 10 1 1 A 41 41 THR N N 83 114.265 118.769 -4.504 1
1 491 . 10 1 1 A 42 42 SER H H 84 8.179 8.058 0.121 1
1 492 . 10 1 1 A 42 42 SER HA H 84 4.439 4.310 0.129 1
1 495 . 10 1 1 A 42 42 SER C C 84 174.269 175.195 -0.926 1
1 496 . 10 1 1 A 42 42 SER CA C 84 59.222 61.780 -2.558 1
1 497 . 10 1 1 A 42 42 SER CB C 84 63.627 63.189 0.438 1
1 498 . 10 1 1 A 42 42 SER N N 84 115.576 115.110 0.466 1
1 499 . 10 1 1 A 43 43 LYS H H 85 7.911 7.384 0.527 1
1 500 . 10 1 1 A 43 43 LYS HA H 85 4.460 4.409 0.051 1
1 509 . 10 1 1 A 43 43 LYS C C 85 175.440 175.084 0.356 1
1 510 . 10 1 1 A 43 43 LYS CA C 85 55.961 55.130 0.831 1
1 511 . 10 1 1 A 43 43 LYS CB C 85 33.032 32.544 0.488 1
1 515 . 10 1 1 A 43 43 LYS N N 85 123.691 121.077 2.614 1
1 516 . 10 1 1 A 44 44 THR H H 86 8.165 8.346 -0.181 1
1 517 . 10 1 1 A 44 44 THR HA H 86 4.904 4.862 0.042 1
1 522 . 10 1 1 A 44 44 THR C C 86 173.685 174.076 -0.391 1
1 523 . 10 1 1 A 44 44 THR CA C 86 60.794 61.018 -0.224 1
1 524 . 10 1 1 A 44 44 THR CB C 86 71.046 69.364 1.682 1
1 526 . 10 1 1 A 44 44 THR N N 86 117.392 117.364 0.028 1
1 527 . 10 1 1 A 45 45 VAL H H 87 8.155 8.656 -0.501 1
1 528 . 10 1 1 A 45 45 VAL HA H 87 4.402 4.441 -0.039 1
1 536 . 10 1 1 A 45 45 VAL C C 87 174.343 175.169 -0.826 1
1 537 . 10 1 1 A 45 45 VAL CA C 87 60.551 61.045 -0.494 1
1 538 . 10 1 1 A 45 45 VAL CB C 87 35.225 33.481 1.744 1
1 541 . 10 1 1 A 45 45 VAL N N 87 123.105 126.452 -3.347 1
1 542 . 10 1 1 A 46 46 TRP H H 88 8.574 8.434 0.140 1
1 543 . 10 1 1 A 46 46 TRP HA H 88 4.789 4.962 -0.173 1
1 552 . 10 1 1 A 46 46 TRP C C 88 175.287 176.389 -1.102 1
1 553 . 10 1 1 A 46 46 TRP CA C 88 57.716 56.974 0.742 1
1 554 . 10 1 1 A 46 46 TRP CB C 88 30.822 31.007 -0.185 1
1 560 . 10 1 1 A 46 46 TRP N N 88 126.326 128.478 -2.152 1
1 562 . 10 1 1 A 47 47 VAL H H 89 9.550 8.580 0.970 1
1 563 . 10 1 1 A 47 47 VAL HA H 89 4.884 5.073 -0.189 1
1 571 . 10 1 1 A 47 47 VAL C C 89 173.675 174.583 -0.908 1
1 572 . 10 1 1 A 47 47 VAL CA C 89 60.713 61.005 -0.292 1
1 573 . 10 1 1 A 47 47 VAL CB C 89 33.847 34.503 -0.656 1
1 576 . 10 1 1 A 47 47 VAL N N 89 123.380 121.768 1.612 1
1 577 . 10 1 1 A 48 48 LEU H H 90 8.757 9.074 -0.317 1
1 578 . 10 1 1 A 48 48 LEU HA H 90 5.181 4.921 0.260 1
1 588 . 10 1 1 A 48 48 LEU C C 90 175.118 175.042 0.076 1
1 589 . 10 1 1 A 48 48 LEU CA C 90 53.567 53.674 -0.107 1
1 590 . 10 1 1 A 48 48 LEU CB C 90 45.758 43.024 2.734 1
1 594 . 10 1 1 A 48 48 LEU N N 90 125.653 130.101 -4.448 1
1 595 . 10 1 1 A 49 49 TYR H H 91 9.355 9.091 0.264 1
1 596 . 10 1 1 A 49 49 TYR HA H 91 5.196 5.109 0.087 1
1 603 . 10 1 1 A 49 49 TYR C C 91 172.437 174.313 -1.876 1
1 604 . 10 1 1 A 49 49 TYR CA C 91 56.490 57.093 -0.603 1
1 605 . 10 1 1 A 49 49 TYR CB C 91 41.602 39.358 2.244 1
1 610 . 10 1 1 A 49 49 TYR N N 91 129.351 128.864 0.487 1
1 611 . 10 1 1 A 50 50 LYS H H 92 7.805 8.357 -0.552 1
1 612 . 10 1 1 A 50 50 LYS HA H 92 4.450 4.654 -0.204 1
1 621 . 10 1 1 A 50 50 LYS C C 92 173.949 176.058 -2.109 1
1 622 . 10 1 1 A 50 50 LYS CA C 92 55.264 54.977 0.287 1
1 623 . 10 1 1 A 50 50 LYS CB C 92 32.484 32.833 -0.349 1
1 627 . 10 1 1 A 50 50 LYS N N 92 127.571 126.959 0.612 1
1 628 . 10 1 1 A 51 51 GLY H H 93 7.147 7.850 -0.703 1
1 629 . 10 1 1 A 51 51 GLY HA2 H 93 3.810 3.853 -0.043 1
1 630 . 10 1 1 A 51 51 GLY HA3 H 93 3.609 4.021 -0.412 1
1 631 . 10 1 1 A 51 51 GLY C C 93 170.582 172.115 -1.533 1
1 632 . 10 1 1 A 51 51 GLY CA C 93 43.645 44.795 -1.150 1
1 633 . 10 1 1 A 51 51 GLY N N 93 111.723 110.378 1.345 1
1 634 . 10 1 1 A 52 52 ALA H H 94 8.185 8.291 -0.106 1
1 635 . 10 1 1 A 52 52 ALA HA H 94 4.273 4.341 -0.068 1
1 639 . 10 1 1 A 52 52 ALA C C 94 178.775 177.105 1.670 1
1 640 . 10 1 1 A 52 52 ALA CA C 94 52.381 52.317 0.064 1
1 641 . 10 1 1 A 52 52 ALA CB C 94 18.392 18.717 -0.325 1
1 642 . 10 1 1 A 52 52 ALA N N 94 119.165 123.279 -4.114 1
1 643 . 10 1 1 A 53 53 VAL H H 95 8.967 8.645 0.322 1
1 644 . 10 1 1 A 53 53 VAL HA H 95 4.200 4.447 -0.247 1
1 652 . 10 1 1 A 53 53 VAL C C 95 174.416 174.879 -0.463 1
1 653 . 10 1 1 A 53 53 VAL CA C 95 60.028 60.269 -0.241 1
1 654 . 10 1 1 A 53 53 VAL CB C 95 32.712 31.850 0.862 1
1 657 . 10 1 1 A 53 53 VAL N N 95 127.597 124.899 2.698 1
1 658 . 10 1 1 A 54 54 PRO HA H 96 4.609 4.643 -0.034 1
1 665 . 10 1 1 A 54 54 PRO C C 96 177.752 177.156 0.596 1
1 666 . 10 1 1 A 54 54 PRO CA C 96 62.907 62.885 0.022 1
1 667 . 10 1 1 A 54 54 PRO CB C 96 32.850 32.862 -0.012 1
1 670 . 10 1 1 A 55 55 ASP H H 97 9.047 8.700 0.347 1
1 671 . 10 1 1 A 55 55 ASP HA H 97 4.459 4.361 0.098 1
1 674 . 10 1 1 A 55 55 ASP C C 97 176.541 178.284 -1.743 1
1 675 . 10 1 1 A 55 55 ASP CA C 97 56.434 56.540 -0.106 1
1 676 . 10 1 1 A 55 55 ASP CB C 97 39.845 40.334 -0.489 1
1 677 . 10 1 1 A 55 55 ASP N N 97 122.223 122.564 -0.341 1
1 678 . 10 1 1 A 56 56 THR H H 98 7.196 7.874 -0.678 1
1 679 . 10 1 1 A 56 56 THR HA H 98 4.105 3.989 0.116 1
1 684 . 10 1 1 A 56 56 THR C C 98 174.743 174.979 -0.236 1
1 685 . 10 1 1 A 56 56 THR CA C 98 60.857 64.535 -3.678 1
1 686 . 10 1 1 A 56 56 THR CB C 98 69.227 69.102 0.125 1
1 688 . 10 1 1 A 56 56 THR N N 98 105.196 114.591 -9.395 1
1 689 . 10 1 1 A 57 57 PHE H H 99 7.766 7.495 0.271 1
1 690 . 10 1 1 A 57 57 PHE HA H 99 3.752 4.340 -0.588 1
1 698 . 10 1 1 A 57 57 PHE C C 99 172.629 174.437 -1.808 1
1 699 . 10 1 1 A 57 57 PHE CA C 99 60.570 59.534 1.036 1
1 700 . 10 1 1 A 57 57 PHE CB C 99 40.156 39.409 0.747 1
1 706 . 10 1 1 A 57 57 PHE N N 99 122.514 122.630 -0.116 1
1 707 . 10 1 1 A 58 58 LYS H H 100 6.468 8.331 -1.863 1
1 708 . 10 1 1 A 58 58 LYS HA H 100 4.409 4.489 -0.080 1
1 717 . 10 1 1 A 58 58 LYS C C 100 171.564 172.929 -1.365 1
1 718 . 10 1 1 A 58 58 LYS CA C 100 53.643 54.091 -0.448 1
1 719 . 10 1 1 A 58 58 LYS CB C 100 32.382 34.986 -2.604 1
1 723 . 10 1 1 A 58 58 LYS N N 100 125.478 122.840 2.638 1
1 724 . 10 1 1 A 59 59 PRO HA H 101 3.708 4.371 -0.663 1
1 731 . 10 1 1 A 59 59 PRO C C 101 176.868 177.353 -0.485 1
1 732 . 10 1 1 A 59 59 PRO CA C 101 63.881 63.783 0.098 1
1 733 . 10 1 1 A 59 59 PRO CB C 101 31.168 31.324 -0.156 1
1 736 . 10 1 1 A 60 60 GLY H H 102 9.269 8.633 0.636 1
1 737 . 10 1 1 A 60 60 GLY HA2 H 102 4.299 3.895 0.404 1
1 738 . 10 1 1 A 60 60 GLY HA3 H 102 3.502 3.901 -0.399 1
1 739 . 10 1 1 A 60 60 GLY C C 102 174.023 174.202 -0.179 1
1 740 . 10 1 1 A 60 60 GLY CA C 102 45.005 45.134 -0.129 1
1 741 . 10 1 1 A 60 60 GLY N N 102 112.023 112.727 -0.704 1
1 742 . 10 1 1 A 61 61 VAL H H 103 7.321 7.378 -0.057 1
1 743 . 10 1 1 A 61 61 VAL HA H 103 4.279 4.374 -0.095 1
1 751 . 10 1 1 A 61 61 VAL C C 103 174.073 175.273 -1.200 1
1 752 . 10 1 1 A 61 61 VAL CA C 103 61.277 61.043 0.234 1
1 753 . 10 1 1 A 61 61 VAL CB C 103 32.882 33.122 -0.240 1
1 756 . 10 1 1 A 61 61 VAL N N 103 118.571 121.902 -3.331 1
1 757 . 10 1 1 A 62 62 GLU H H 104 8.204 8.541 -0.337 1
1 758 . 10 1 1 A 62 62 GLU HA H 104 4.946 4.989 -0.043 1
1 763 . 10 1 1 A 62 62 GLU C C 104 176.252 176.486 -0.234 1
1 764 . 10 1 1 A 62 62 GLU CA C 104 55.398 56.117 -0.719 1
1 765 . 10 1 1 A 62 62 GLU CB C 104 30.129 30.559 -0.430 1
1 767 . 10 1 1 A 62 62 GLU N N 104 123.214 126.510 -3.296 1
1 768 . 10 1 1 A 63 63 VAL H H 105 9.066 8.904 0.162 1
1 769 . 10 1 1 A 63 63 VAL HA H 105 5.297 5.001 0.296 1
1 777 . 10 1 1 A 63 63 VAL C C 105 173.913 174.491 -0.578 1
1 778 . 10 1 1 A 63 63 VAL CA C 105 58.284 59.856 -1.572 1
1 779 . 10 1 1 A 63 63 VAL CB C 105 36.265 34.253 2.012 1
1 782 . 10 1 1 A 63 63 VAL N N 105 115.526 118.904 -3.378 1
1 783 . 10 1 1 A 64 64 ILE H H 106 8.542 8.853 -0.311 1
1 784 . 10 1 1 A 64 64 ILE HA H 106 4.775 4.834 -0.059 1
1 794 . 10 1 1 A 64 64 ILE C C 106 176.511 175.178 1.333 1
1 795 . 10 1 1 A 64 64 ILE CA C 106 60.804 59.710 1.094 1
1 796 . 10 1 1 A 64 64 ILE CB C 106 40.991 40.445 0.546 1
1 800 . 10 1 1 A 64 64 ILE N N 106 120.283 122.338 -2.055 1
1 801 . 10 1 1 A 65 65 ILE H H 107 8.944 8.790 0.154 1
1 802 . 10 1 1 A 65 65 ILE HA H 107 5.197 4.940 0.257 1
1 812 . 10 1 1 A 65 65 ILE C C 107 174.076 174.244 -0.168 1
1 813 . 10 1 1 A 65 65 ILE CA C 107 58.384 59.138 -0.754 1
1 814 . 10 1 1 A 65 65 ILE CB C 107 42.082 41.111 0.971 1
1 818 . 10 1 1 A 65 65 ILE N N 107 122.157 123.247 -1.090 1
1 819 . 10 1 1 A 66 66 GLU H H 108 7.762 8.443 -0.681 1
1 820 . 10 1 1 A 66 66 GLU HA H 108 5.801 5.533 0.268 1
1 825 . 10 1 1 A 66 66 GLU C C 108 176.789 176.155 0.634 1
1 826 . 10 1 1 A 66 66 GLU CA C 108 54.063 54.922 -0.859 1
1 827 . 10 1 1 A 66 66 GLU CB C 108 32.818 32.666 0.152 1
1 829 . 10 1 1 A 66 66 GLU N N 108 119.473 123.584 -4.111 1
1 830 . 10 1 1 A 67 67 GLY H H 109 9.064 8.200 0.864 1
1 831 . 10 1 1 A 67 67 GLY HA2 H 109 4.773 4.090 0.683 1
1 832 . 10 1 1 A 67 67 GLY HA3 H 109 3.948 4.237 -0.289 1
1 833 . 10 1 1 A 67 67 GLY C C 109 170.431 172.147 -1.716 1
1 834 . 10 1 1 A 67 67 GLY CA C 109 46.598 45.870 0.728 1
1 835 . 10 1 1 A 67 67 GLY N N 109 112.366 109.359 3.007 1
1 836 . 10 1 1 A 68 68 GLY H H 110 7.116 7.688 -0.572 1
1 837 . 10 1 1 A 68 68 GLY HA2 H 110 3.949 4.253 -0.304 1
1 838 . 10 1 1 A 68 68 GLY HA3 H 110 3.732 4.298 -0.566 1
1 839 . 10 1 1 A 68 68 GLY C C 110 170.827 171.580 -0.753 1
1 840 . 10 1 1 A 68 68 GLY CA C 110 45.228 44.929 0.299 1
1 841 . 10 1 1 A 68 68 GLY N N 110 109.402 111.355 -1.953 1
1 842 . 10 1 1 A 69 69 LEU H H 111 8.542 8.843 -0.301 1
1 843 . 10 1 1 A 69 69 LEU HA H 111 4.546 4.889 -0.343 1
1 853 . 10 1 1 A 69 69 LEU C C 111 175.890 174.914 0.976 1
1 854 . 10 1 1 A 69 69 LEU CA C 111 54.400 54.004 0.396 1
1 855 . 10 1 1 A 69 69 LEU CB C 111 43.814 45.452 -1.638 1
1 859 . 10 1 1 A 69 69 LEU N N 111 122.808 122.370 0.438 1
1 860 . 10 1 1 A 70 70 ALA H H 112 8.889 8.540 0.349 1
1 861 . 10 1 1 A 70 70 ALA HA H 112 4.639 4.519 0.120 1
1 865 . 10 1 1 A 70 70 ALA C C 112 174.900 177.237 -2.337 1
1 866 . 10 1 1 A 70 70 ALA CA C 112 49.951 50.492 -0.541 1
1 867 . 10 1 1 A 70 70 ALA CB C 112 18.111 18.900 -0.789 1
1 868 . 10 1 1 A 70 70 ALA N N 112 130.675 128.998 1.677 1
1 869 . 10 1 1 A 71 71 PRO HA H 113 4.338 4.415 -0.077 1
1 876 . 10 1 1 A 71 71 PRO C C 113 178.206 178.094 0.112 1
1 877 . 10 1 1 A 71 71 PRO CA C 113 64.055 64.350 -0.295 1
1 878 . 10 1 1 A 71 71 PRO CB C 113 31.754 31.867 -0.113 1
1 881 . 10 1 1 A 72 72 GLY H H 114 8.748 8.546 0.202 1
1 882 . 10 1 1 A 72 72 GLY HA2 H 114 4.165 3.952 0.213 1
1 883 . 10 1 1 A 72 72 GLY HA3 H 114 3.775 3.956 -0.181 1
1 884 . 10 1 1 A 72 72 GLY C C 114 174.200 174.011 0.189 1
1 885 . 10 1 1 A 72 72 GLY CA C 114 45.602 46.145 -0.543 1
1 886 . 10 1 1 A 72 72 GLY N N 114 111.945 106.827 5.118 1
1 887 . 10 1 1 A 73 73 GLU H H 115 7.931 7.665 0.266 1
1 888 . 10 1 1 A 73 73 GLU HA H 115 4.581 4.763 -0.182 1
1 893 . 10 1 1 A 73 73 GLU C C 115 175.843 175.945 -0.102 1
1 894 . 10 1 1 A 73 73 GLU CA C 115 55.732 54.635 1.097 1
1 895 . 10 1 1 A 73 73 GLU CB C 115 31.128 31.875 -0.747 1
1 897 . 10 1 1 A 73 73 GLU N N 115 118.591 120.120 -1.529 1
1 898 . 10 1 1 A 74 74 ASP H H 116 8.467 8.569 -0.102 1
1 899 . 10 1 1 A 74 74 ASP HA H 116 4.823 4.937 -0.114 1
1 902 . 10 1 1 A 74 74 ASP C C 116 175.848 175.051 0.797 1
1 903 . 10 1 1 A 74 74 ASP CA C 116 53.831 54.067 -0.236 1
1 904 . 10 1 1 A 74 74 ASP CB C 116 41.052 41.764 -0.712 1
1 905 . 10 1 1 A 74 74 ASP N N 116 118.021 120.082 -2.061 1
1 906 . 10 1 1 A 75 75 THR H H 117 7.301 7.493 -0.192 1
1 907 . 10 1 1 A 75 75 THR HA H 117 4.620 5.400 -0.780 1
1 912 . 10 1 1 A 75 75 THR C C 117 172.120 172.580 -0.460 1
1 913 . 10 1 1 A 75 75 THR CA C 117 61.907 59.983 1.924 1
1 914 . 10 1 1 A 75 75 THR CB C 117 71.398 71.659 -0.261 1
1 916 . 10 1 1 A 75 75 THR N N 117 114.820 114.808 0.012 1
1 917 . 10 1 1 A 76 76 PHE H H 118 9.657 9.224 0.433 1
1 918 . 10 1 1 A 76 76 PHE HA H 118 4.290 4.796 -0.506 1
1 926 . 10 1 1 A 76 76 PHE C C 118 174.118 175.059 -0.941 1
1 927 . 10 1 1 A 76 76 PHE CA C 118 58.185 57.499 0.686 1
1 928 . 10 1 1 A 76 76 PHE CB C 118 40.718 39.897 0.821 1
1 934 . 10 1 1 A 76 76 PHE N N 118 130.378 129.862 0.516 1
1 935 . 10 1 1 A 77 77 LYS H H 119 8.364 8.233 0.131 1
1 936 . 10 1 1 A 77 77 LYS HA H 119 4.853 4.967 -0.114 1
1 945 . 10 1 1 A 77 77 LYS C C 119 175.278 175.436 -0.158 1
1 946 . 10 1 1 A 77 77 LYS CA C 119 55.282 55.359 -0.077 1
1 947 . 10 1 1 A 77 77 LYS CB C 119 31.319 33.244 -1.925 1
1 951 . 10 1 1 A 77 77 LYS N N 119 129.777 121.624 8.153 1
1 952 . 10 1 1 A 78 78 ALA H H 120 8.837 8.571 0.266 1
1 953 . 10 1 1 A 78 78 ALA HA H 120 4.828 5.292 -0.464 1
1 957 . 10 1 1 A 78 78 ALA C C 120 176.015 178.242 -2.227 1
1 958 . 10 1 1 A 78 78 ALA CA C 120 51.435 50.891 0.544 1
1 959 . 10 1 1 A 78 78 ALA CB C 120 20.006 21.028 -1.022 1
1 960 . 10 1 1 A 78 78 ALA N N 120 129.771 127.820 1.951 1
1 961 . 10 1 1 A 79 79 ARG H H 121 9.846 8.418 1.428 1
1 962 . 10 1 1 A 79 79 ARG HA H 121 4.582 4.495 0.087 1
1 970 . 10 1 1 A 79 79 ARG C C 121 176.651 175.637 1.014 1
1 971 . 10 1 1 A 79 79 ARG CA C 121 57.420 56.523 0.897 1
1 972 . 10 1 1 A 79 79 ARG CB C 121 31.773 31.134 0.639 1
1 975 . 10 1 1 A 79 79 ARG N N 121 125.113 119.791 5.322 1
1 977 . 10 1 1 A 80 80 THR H H 122 7.938 8.001 -0.063 1
1 978 . 10 1 1 A 80 80 THR HA H 122 4.921 5.266 -0.345 1
1 983 . 10 1 1 A 80 80 THR C C 122 172.002 172.777 -0.775 1
1 984 . 10 1 1 A 80 80 THR CA C 122 60.475 60.258 0.217 1
1 985 . 10 1 1 A 80 80 THR CB C 122 72.093 71.727 0.366 1
1 987 . 10 1 1 A 80 80 THR N N 122 109.595 109.863 -0.268 1
1 988 . 10 1 1 A 81 81 LEU H H 123 8.196 8.570 -0.374 1
1 989 . 10 1 1 A 81 81 LEU HA H 123 4.701 4.689 0.012 1
1 999 . 10 1 1 A 81 81 LEU C C 123 173.804 174.286 -0.482 1
1 1000 . 10 1 1 A 81 81 LEU CA C 123 55.357 54.244 1.113 1
1 1001 . 10 1 1 A 81 81 LEU CB C 123 44.009 44.651 -0.642 1
1 1005 . 10 1 1 A 81 81 LEU N N 123 123.214 122.903 0.311 1
1 1006 . 10 1 1 A 82 82 MET H H 124 8.700 8.799 -0.099 1
1 1007 . 10 1 1 A 82 82 MET HA H 124 4.841 4.972 -0.131 1
1 1015 . 10 1 1 A 82 82 MET C C 124 175.097 175.846 -0.749 1
1 1016 . 10 1 1 A 82 82 MET CA C 124 54.190 54.273 -0.083 1
1 1017 . 10 1 1 A 82 82 MET CB C 124 36.191 35.348 0.843 1
1 1020 . 10 1 1 A 82 82 MET N N 124 124.452 126.406 -1.954 1
1 1021 . 10 1 1 A 83 83 THR H H 125 8.671 8.829 -0.158 1
1 1022 . 10 1 1 A 83 83 THR HA H 125 4.934 4.950 -0.016 1
1 1027 . 10 1 1 A 83 83 THR C C 125 174.094 175.879 -1.785 1
1 1028 . 10 1 1 A 83 83 THR CA C 125 60.253 61.046 -0.793 1
1 1029 . 10 1 1 A 83 83 THR CB C 125 69.831 70.405 -0.574 1
1 1031 . 10 1 1 A 83 83 THR N N 125 113.070 117.094 -4.024 1
1 1032 . 10 1 1 A 84 84 LYS H H 126 8.419 8.579 -0.160 1
1 1033 . 10 1 1 A 84 84 LYS HA H 126 4.446 4.278 0.168 1
1 1042 . 10 1 1 A 84 84 LYS C C 126 175.461 177.280 -1.819 1
1 1043 . 10 1 1 A 84 84 LYS CA C 126 55.500 58.344 -2.844 1
1 1044 . 10 1 1 A 84 84 LYS CB C 126 33.736 32.987 0.749 1
1 1048 . 10 1 1 A 84 84 LYS N N 126 123.139 121.698 1.441 1
1 1049 . 10 1 1 A 85 85 CYS H H 127 8.543 7.856 0.687 1
1 1050 . 10 1 1 A 85 85 CYS HA H 127 4.795 4.739 0.056 1
1 1053 . 10 1 1 A 85 85 CYS C C 127 172.809 173.173 -0.364 1
1 1054 . 10 1 1 A 85 85 CYS CA C 127 56.423 55.851 0.572 1
1 1055 . 10 1 1 A 85 85 CYS CB C 127 27.739 29.117 -1.378 1
1 1056 . 10 1 1 A 85 85 CYS N N 127 123.709 118.830 4.879 1
1 1057 . 10 1 1 A 86 86 PRO HA H 128 4.439 4.561 -0.122 1
1 1064 . 10 1 1 A 86 86 PRO C C 128 176.560 177.015 -0.455 1
1 1065 . 10 1 1 A 86 86 PRO CA C 128 63.292 62.515 0.777 1
1 1066 . 10 1 1 A 86 86 PRO CB C 128 32.165 31.959 0.206 1
1 1069 . 10 1 1 A 87 87 LEU H H 129 8.274 8.314 -0.040 1
1 1070 . 10 1 1 A 87 87 LEU HA H 129 4.256 4.297 -0.041 1
1 1080 . 10 1 1 A 87 87 LEU C C 129 177.141 176.753 0.388 1
1 1081 . 10 1 1 A 87 87 LEU CA C 129 55.281 54.337 0.944 1
1 1082 . 10 1 1 A 87 87 LEU CB C 129 42.299 42.539 -0.240 1
1 1086 . 10 1 1 A 87 87 LEU N N 129 122.188 119.941 2.247 1
1 1 . 11 1 1 A 2 2 ALA HA H 44 4.214 4.460 -0.246 1
1 5 . 11 1 1 A 2 2 ALA C C 44 173.758 176.795 -3.037 1
1 6 . 11 1 1 A 2 2 ALA CA C 44 51.848 51.197 0.651 1
1 7 . 11 1 1 A 2 2 ALA CB C 44 19.505 19.576 -0.071 1
1 8 . 11 1 1 A 3 3 THR H H 45 8.709 8.075 0.634 1
1 9 . 11 1 1 A 3 3 THR HA H 45 4.694 4.253 0.441 1
1 14 . 11 1 1 A 3 3 THR CA C 45 60.191 62.719 -2.528 1
1 15 . 11 1 1 A 3 3 THR CB C 45 69.815 66.413 3.402 1
1 17 . 11 1 1 A 3 3 THR N N 45 116.649 110.376 6.273 1
1 18 . 11 1 1 A 4 4 PRO HA H 46 4.412 4.495 -0.083 1
1 25 . 11 1 1 A 4 4 PRO C C 46 177.212 176.451 0.761 1
1 26 . 11 1 1 A 4 4 PRO CA C 46 63.698 62.786 0.912 1
1 27 . 11 1 1 A 4 4 PRO CB C 46 32.117 32.101 0.016 1
1 30 . 11 1 1 A 5 5 GLN H H 47 8.463 8.363 0.100 1
1 31 . 11 1 1 A 5 5 GLN HA H 47 4.260 4.247 0.013 1
1 38 . 11 1 1 A 5 5 GLN C C 47 176.073 175.300 0.773 1
1 39 . 11 1 1 A 5 5 GLN CA C 47 56.328 56.081 0.247 1
1 40 . 11 1 1 A 5 5 GLN CB C 47 29.286 28.988 0.298 1
1 43 . 11 1 1 A 5 5 GLN N N 47 119.945 121.690 -1.745 1
1 45 . 11 1 1 A 6 6 ASP H H 48 8.276 8.701 -0.425 1
1 46 . 11 1 1 A 6 6 ASP HA H 48 4.558 4.591 -0.033 1
1 49 . 11 1 1 A 6 6 ASP C C 48 176.454 176.202 0.252 1
1 50 . 11 1 1 A 6 6 ASP CA C 48 54.538 54.746 -0.208 1
1 51 . 11 1 1 A 6 6 ASP CB C 48 40.873 41.077 -0.204 1
1 52 . 11 1 1 A 6 6 ASP N N 48 120.974 126.757 -5.783 1
1 53 . 11 1 1 A 7 7 LYS H H 49 8.218 9.009 -0.791 1
1 54 . 11 1 1 A 7 7 LYS HA H 49 4.264 4.323 -0.059 1
1 63 . 11 1 1 A 7 7 LYS C C 49 176.665 177.809 -1.144 1
1 64 . 11 1 1 A 7 7 LYS CA C 49 56.655 58.296 -1.641 1
1 65 . 11 1 1 A 7 7 LYS CB C 49 32.837 33.089 -0.252 1
1 69 . 11 1 1 A 7 7 LYS N N 49 120.950 123.199 -2.249 1
1 70 . 11 1 1 A 8 8 LEU H H 50 8.010 8.059 -0.049 1
1 71 . 11 1 1 A 8 8 LEU HA H 50 4.279 4.478 -0.199 1
1 81 . 11 1 1 A 8 8 LEU C C 50 177.110 177.370 -0.260 1
1 82 . 11 1 1 A 8 8 LEU CA C 50 55.353 56.233 -0.880 1
1 83 . 11 1 1 A 8 8 LEU CB C 50 42.302 43.082 -0.780 1
1 87 . 11 1 1 A 8 8 LEU N N 50 121.105 116.450 4.655 1
1 88 . 11 1 1 A 9 9 HIS H H 51 8.411 8.161 0.250 1
1 89 . 11 1 1 A 9 9 HIS HA H 51 4.780 4.119 0.661 1
1 92 . 11 1 1 A 9 9 HIS C C 51 174.285 174.186 0.099 1
1 93 . 11 1 1 A 9 9 HIS CA C 51 55.320 56.911 -1.591 1
1 94 . 11 1 1 A 9 9 HIS CB C 51 28.827 28.469 0.358 1
1 95 . 11 1 1 A 9 9 HIS N N 51 119.035 117.815 1.220 1
1 96 . 11 1 1 A 10 10 THR H H 52 8.178 7.858 0.320 1
1 97 . 11 1 1 A 10 10 THR HA H 52 4.488 4.253 0.235 1
1 102 . 11 1 1 A 10 10 THR C C 52 173.766 174.151 -0.385 1
1 103 . 11 1 1 A 10 10 THR CA C 52 62.392 63.261 -0.869 1
1 104 . 11 1 1 A 10 10 THR CB C 52 70.104 69.418 0.686 1
1 106 . 11 1 1 A 10 10 THR N N 52 117.285 115.234 2.051 1
1 107 . 11 1 1 A 11 11 VAL H H 53 9.088 8.811 0.277 1
1 108 . 11 1 1 A 11 11 VAL HA H 53 4.464 4.477 -0.013 1
1 116 . 11 1 1 A 11 11 VAL C C 53 174.048 174.154 -0.106 1
1 117 . 11 1 1 A 11 11 VAL CA C 53 61.359 61.054 0.305 1
1 118 . 11 1 1 A 11 11 VAL CB C 53 34.602 33.270 1.332 1
1 121 . 11 1 1 A 11 11 VAL N N 53 123.969 127.190 -3.221 1
1 122 . 11 1 1 A 12 12 ARG H H 54 8.386 9.069 -0.683 1
1 123 . 11 1 1 A 12 12 ARG HA H 54 5.495 5.241 0.254 1
1 131 . 11 1 1 A 12 12 ARG C C 54 175.364 174.742 0.622 1
1 132 . 11 1 1 A 12 12 ARG CA C 54 54.401 54.359 0.042 1
1 133 . 11 1 1 A 12 12 ARG CB C 54 32.753 33.426 -0.673 1
1 136 . 11 1 1 A 12 12 ARG N N 54 125.294 128.658 -3.364 1
1 138 . 11 1 1 A 13 13 LEU H H 55 8.828 8.878 -0.050 1
1 139 . 11 1 1 A 13 13 LEU HA H 55 4.726 4.779 -0.053 1
1 149 . 11 1 1 A 13 13 LEU C C 55 174.223 175.409 -1.186 1
1 150 . 11 1 1 A 13 13 LEU CA C 55 53.309 52.673 0.636 1
1 151 . 11 1 1 A 13 13 LEU CB C 55 45.884 45.613 0.271 1
1 155 . 11 1 1 A 13 13 LEU N N 55 124.874 126.909 -2.035 1
1 156 . 11 1 1 A 14 14 PHE H H 56 8.195 8.644 -0.449 1
1 157 . 11 1 1 A 14 14 PHE HA H 56 5.576 5.352 0.224 1
1 165 . 11 1 1 A 14 14 PHE C C 56 175.266 175.521 -0.255 1
1 166 . 11 1 1 A 14 14 PHE CA C 56 55.009 55.751 -0.742 1
1 167 . 11 1 1 A 14 14 PHE CB C 56 42.340 43.302 -0.962 1
1 173 . 11 1 1 A 14 14 PHE N N 56 118.334 118.250 0.084 1
1 174 . 11 1 1 A 15 15 GLY H H 57 8.134 8.011 0.123 1
1 175 . 11 1 1 A 15 15 GLY HA2 H 57 4.229 4.181 0.048 1
1 176 . 11 1 1 A 15 15 GLY HA3 H 57 4.004 4.201 -0.197 1
1 177 . 11 1 1 A 15 15 GLY C C 57 171.108 171.685 -0.577 1
1 178 . 11 1 1 A 15 15 GLY CA C 57 45.857 46.082 -0.225 1
1 179 . 11 1 1 A 15 15 GLY N N 57 109.159 109.248 -0.089 1
1 180 . 11 1 1 A 16 16 THR H H 58 8.595 8.501 0.094 1
1 181 . 11 1 1 A 16 16 THR HA H 58 5.114 5.257 -0.143 1
1 186 . 11 1 1 A 16 16 THR C C 58 174.484 173.768 0.716 1
1 187 . 11 1 1 A 16 16 THR CA C 58 60.591 61.362 -0.771 1
1 188 . 11 1 1 A 16 16 THR CB C 58 71.164 71.620 -0.456 1
1 190 . 11 1 1 A 16 16 THR N N 58 113.580 115.528 -1.948 1
1 191 . 11 1 1 A 17 17 VAL H H 59 8.053 8.482 -0.429 1
1 192 . 11 1 1 A 17 17 VAL HA H 59 3.876 4.268 -0.392 1
1 200 . 11 1 1 A 17 17 VAL C C 59 176.315 175.927 0.388 1
1 201 . 11 1 1 A 17 17 VAL CA C 59 63.549 63.133 0.416 1
1 202 . 11 1 1 A 17 17 VAL CB C 59 32.779 31.368 1.411 1
1 205 . 11 1 1 A 17 17 VAL N N 59 124.410 126.696 -2.286 1
1 206 . 11 1 1 A 18 18 ALA H H 60 8.931 8.877 0.054 1
1 207 . 11 1 1 A 18 18 ALA HA H 60 4.354 4.434 -0.080 1
1 211 . 11 1 1 A 18 18 ALA C C 60 177.293 178.121 -0.828 1
1 212 . 11 1 1 A 18 18 ALA CA C 60 52.138 51.770 0.368 1
1 213 . 11 1 1 A 18 18 ALA CB C 60 19.782 19.721 0.061 1
1 214 . 11 1 1 A 18 18 ALA N N 60 133.912 131.001 2.911 1
1 215 . 11 1 1 A 19 19 ALA H H 61 8.548 8.713 -0.165 1
1 216 . 11 1 1 A 19 19 ALA HA H 61 4.105 4.244 -0.139 1
1 220 . 11 1 1 A 19 19 ALA C C 61 178.793 177.243 1.550 1
1 221 . 11 1 1 A 19 19 ALA CA C 61 54.218 53.007 1.211 1
1 222 . 11 1 1 A 19 19 ALA CB C 61 18.969 19.136 -0.167 1
1 223 . 11 1 1 A 19 19 ALA N N 61 121.667 123.044 -1.377 1
1 224 . 11 1 1 A 20 20 ASP H H 62 8.117 7.633 0.484 1
1 225 . 11 1 1 A 20 20 ASP HA H 62 4.602 4.675 -0.073 1
1 228 . 11 1 1 A 20 20 ASP C C 62 177.210 177.240 -0.030 1
1 229 . 11 1 1 A 20 20 ASP CA C 62 54.575 54.908 -0.333 1
1 230 . 11 1 1 A 20 20 ASP CB C 62 41.188 41.060 0.128 1
1 231 . 11 1 1 A 20 20 ASP N N 62 115.534 119.086 -3.552 1
1 232 . 11 1 1 A 21 21 GLY H H 63 8.996 8.940 0.056 1
1 233 . 11 1 1 A 21 21 GLY HA2 H 63 4.311 4.110 0.201 1
1 234 . 11 1 1 A 21 21 GLY HA3 H 63 3.888 4.207 -0.319 1
1 235 . 11 1 1 A 21 21 GLY C C 63 173.384 174.577 -1.193 1
1 236 . 11 1 1 A 21 21 GLY CA C 63 46.124 46.258 -0.134 1
1 237 . 11 1 1 A 21 21 GLY N N 63 112.754 111.694 1.060 1
1 238 . 11 1 1 A 22 22 LEU H H 64 7.380 8.011 -0.631 1
1 239 . 11 1 1 A 22 22 LEU HA H 64 4.964 4.897 0.067 1
1 249 . 11 1 1 A 22 22 LEU C C 64 178.011 174.856 3.155 1
1 250 . 11 1 1 A 22 22 LEU CA C 64 57.159 54.272 2.887 1
1 251 . 11 1 1 A 22 22 LEU CB C 64 42.160 41.405 0.755 1
1 255 . 11 1 1 A 22 22 LEU N N 64 123.991 123.820 0.171 1
1 256 . 11 1 1 A 23 23 THR H H 65 9.752 9.154 0.598 1
1 257 . 11 1 1 A 23 23 THR HA H 65 4.755 5.001 -0.246 1
1 262 . 11 1 1 A 23 23 THR C C 65 173.249 173.816 -0.567 1
1 263 . 11 1 1 A 23 23 THR CA C 65 61.231 61.534 -0.303 1
1 264 . 11 1 1 A 23 23 THR CB C 65 71.995 70.518 1.477 1
1 266 . 11 1 1 A 23 23 THR N N 65 124.024 122.432 1.592 1
1 267 . 11 1 1 A 24 24 MET H H 66 8.881 8.527 0.354 1
1 268 . 11 1 1 A 24 24 MET HA H 66 5.019 4.846 0.173 1
1 276 . 11 1 1 A 24 24 MET C C 66 176.750 176.391 0.359 1
1 277 . 11 1 1 A 24 24 MET CA C 66 54.452 54.637 -0.185 1
1 278 . 11 1 1 A 24 24 MET CB C 66 31.809 32.739 -0.930 1
1 281 . 11 1 1 A 24 24 MET N N 66 125.215 126.411 -1.196 1
1 282 . 11 1 1 A 25 25 LEU H H 67 8.037 8.302 -0.265 1
1 283 . 11 1 1 A 25 25 LEU HA H 67 4.253 4.211 0.042 1
1 293 . 11 1 1 A 25 25 LEU C C 67 176.617 176.202 0.415 1
1 294 . 11 1 1 A 25 25 LEU CA C 67 55.259 55.291 -0.032 1
1 295 . 11 1 1 A 25 25 LEU CB C 67 41.019 42.204 -1.185 1
1 299 . 11 1 1 A 25 25 LEU N N 67 123.282 123.242 0.040 1
1 300 . 11 1 1 A 26 26 ASP H H 68 8.419 8.819 -0.400 1
1 301 . 11 1 1 A 26 26 ASP HA H 68 4.695 4.629 0.066 1
1 304 . 11 1 1 A 26 26 ASP C C 68 176.728 177.099 -0.371 1
1 305 . 11 1 1 A 26 26 ASP CA C 68 53.907 55.164 -1.257 1
1 306 . 11 1 1 A 26 26 ASP CB C 68 41.338 40.277 1.061 1
1 307 . 11 1 1 A 26 26 ASP N N 68 120.434 124.049 -3.615 1
1 308 . 11 1 1 A 27 27 GLY H H 69 8.607 8.978 -0.371 1
1 309 . 11 1 1 A 27 27 GLY HA2 H 69 4.055 3.978 0.077 1
1 310 . 11 1 1 A 27 27 GLY HA3 H 69 3.665 3.981 -0.316 1
1 311 . 11 1 1 A 27 27 GLY C C 69 173.151 174.180 -1.029 1
1 312 . 11 1 1 A 27 27 GLY CA C 69 45.895 45.612 0.283 1
1 313 . 11 1 1 A 27 27 GLY N N 69 112.545 111.419 1.126 1
1 314 . 11 1 1 A 28 28 ALA H H 70 7.634 7.716 -0.082 1
1 315 . 11 1 1 A 28 28 ALA HA H 70 4.575 4.473 0.102 1
1 319 . 11 1 1 A 28 28 ALA C C 70 174.090 176.142 -2.052 1
1 320 . 11 1 1 A 28 28 ALA CA C 70 50.137 50.631 -0.494 1
1 321 . 11 1 1 A 28 28 ALA CB C 70 19.221 19.499 -0.278 1
1 322 . 11 1 1 A 28 28 ALA N N 70 125.545 124.686 0.859 1
1 323 . 11 1 1 A 29 29 PRO HA H 71 4.462 4.701 -0.239 1
1 330 . 11 1 1 A 29 29 PRO C C 71 176.671 176.126 0.545 1
1 331 . 11 1 1 A 29 29 PRO CA C 71 63.021 63.382 -0.361 1
1 332 . 11 1 1 A 29 29 PRO CB C 71 32.015 31.708 0.307 1
1 335 . 11 1 1 A 30 30 GLY H H 72 7.988 8.160 -0.172 1
1 336 . 11 1 1 A 30 30 GLY HA2 H 72 5.001 4.066 0.935 1
1 337 . 11 1 1 A 30 30 GLY HA3 H 72 3.991 4.077 -0.086 1
1 338 . 11 1 1 A 30 30 GLY C C 72 172.906 171.304 1.602 1
1 339 . 11 1 1 A 30 30 GLY CA C 72 45.642 44.588 1.054 1
1 340 . 11 1 1 A 30 30 GLY N N 72 109.355 109.494 -0.139 1
1 341 . 11 1 1 A 31 31 VAL H H 73 9.332 8.221 1.111 1
1 342 . 11 1 1 A 31 31 VAL HA H 73 5.194 4.835 0.359 1
1 350 . 11 1 1 A 31 31 VAL C C 73 171.443 173.162 -1.719 1
1 351 . 11 1 1 A 31 31 VAL CA C 73 60.233 60.495 -0.262 1
1 352 . 11 1 1 A 31 31 VAL CB C 73 35.471 35.006 0.465 1
1 355 . 11 1 1 A 31 31 VAL N N 73 116.539 119.198 -2.659 1
1 356 . 11 1 1 A 32 32 ARG H H 74 8.956 9.276 -0.320 1
1 357 . 11 1 1 A 32 32 ARG HA H 74 5.999 5.789 0.210 1
1 365 . 11 1 1 A 32 32 ARG C C 74 174.581 175.229 -0.648 1
1 366 . 11 1 1 A 32 32 ARG CA C 74 54.187 54.684 -0.497 1
1 367 . 11 1 1 A 32 32 ARG CB C 74 33.463 32.273 1.190 1
1 370 . 11 1 1 A 32 32 ARG N N 74 127.557 129.767 -2.210 1
1 372 . 11 1 1 A 33 33 PHE H H 75 9.262 8.939 0.323 1
1 373 . 11 1 1 A 33 33 PHE HA H 75 5.461 5.553 -0.092 1
1 381 . 11 1 1 A 33 33 PHE C C 75 171.210 172.446 -1.236 1
1 382 . 11 1 1 A 33 33 PHE CA C 75 55.947 56.302 -0.355 1
1 383 . 11 1 1 A 33 33 PHE CB C 75 41.151 41.105 0.046 1
1 389 . 11 1 1 A 33 33 PHE N N 75 120.514 121.040 -0.526 1
1 390 . 11 1 1 A 34 34 ARG H H 76 9.921 8.643 1.278 1
1 391 . 11 1 1 A 34 34 ARG HA H 76 4.368 4.328 0.040 1
1 399 . 11 1 1 A 34 34 ARG C C 76 173.994 174.465 -0.471 1
1 400 . 11 1 1 A 34 34 ARG CA C 76 54.594 55.784 -1.190 1
1 401 . 11 1 1 A 34 34 ARG CB C 76 31.539 30.993 0.546 1
1 404 . 11 1 1 A 34 34 ARG N N 76 122.011 119.481 2.530 1
1 406 . 11 1 1 A 35 35 LEU H H 77 8.781 8.874 -0.093 1
1 407 . 11 1 1 A 35 35 LEU HA H 77 4.755 5.046 -0.291 1
1 417 . 11 1 1 A 35 35 LEU C C 77 176.305 175.344 0.961 1
1 418 . 11 1 1 A 35 35 LEU CA C 77 53.188 53.717 -0.529 1
1 419 . 11 1 1 A 35 35 LEU CB C 77 44.689 44.416 0.273 1
1 423 . 11 1 1 A 35 35 LEU N N 77 127.038 127.091 -0.053 1
1 424 . 11 1 1 A 36 36 GLU H H 78 9.342 8.711 0.631 1
1 425 . 11 1 1 A 36 36 GLU HA H 78 4.531 4.479 0.052 1
1 430 . 11 1 1 A 36 36 GLU C C 78 175.380 175.911 -0.531 1
1 431 . 11 1 1 A 36 36 GLU CA C 78 54.829 56.218 -1.389 1
1 432 . 11 1 1 A 36 36 GLU CB C 78 29.842 29.719 0.123 1
1 434 . 11 1 1 A 36 36 GLU N N 78 126.891 125.969 0.922 1
1 435 . 11 1 1 A 37 37 ASP H H 79 8.418 8.147 0.271 1
1 436 . 11 1 1 A 37 37 ASP HA H 79 4.630 4.576 0.054 1
1 439 . 11 1 1 A 37 37 ASP C C 79 176.623 177.530 -0.907 1
1 440 . 11 1 1 A 37 37 ASP CA C 79 53.996 54.862 -0.866 1
1 441 . 11 1 1 A 37 37 ASP CB C 79 41.401 42.283 -0.882 1
1 442 . 11 1 1 A 37 37 ASP N N 79 125.084 126.555 -1.471 1
1 443 . 11 1 1 A 38 38 LYS H H 80 8.691 8.699 -0.008 1
1 444 . 11 1 1 A 38 38 LYS HA H 80 4.064 4.052 0.012 1
1 453 . 11 1 1 A 38 38 LYS C C 80 176.779 178.549 -1.770 1
1 454 . 11 1 1 A 38 38 LYS CA C 80 57.994 59.031 -1.037 1
1 455 . 11 1 1 A 38 38 LYS CB C 80 32.404 32.125 0.279 1
1 459 . 11 1 1 A 38 38 LYS N N 80 124.179 124.311 -0.132 1
1 460 . 11 1 1 A 39 39 ASP H H 81 8.355 7.650 0.705 1
1 461 . 11 1 1 A 39 39 ASP HA H 81 4.591 4.458 0.133 1
1 464 . 11 1 1 A 39 39 ASP C C 81 175.682 176.265 -0.583 1
1 465 . 11 1 1 A 39 39 ASP CA C 81 54.888 56.771 -1.883 1
1 466 . 11 1 1 A 39 39 ASP CB C 81 41.040 41.894 -0.854 1
1 467 . 11 1 1 A 39 39 ASP N N 81 117.392 120.042 -2.650 1
1 468 . 11 1 1 A 40 40 ASN H H 82 7.954 7.765 0.189 1
1 469 . 11 1 1 A 40 40 ASN HA H 82 4.785 4.977 -0.192 1
1 474 . 11 1 1 A 40 40 ASN C C 82 175.435 175.208 0.227 1
1 475 . 11 1 1 A 40 40 ASN CA C 82 53.032 51.579 1.453 1
1 476 . 11 1 1 A 40 40 ASN CB C 82 38.471 38.784 -0.313 1
1 478 . 11 1 1 A 40 40 ASN N N 82 117.785 116.943 0.842 1
1 480 . 11 1 1 A 41 41 THR H H 83 8.518 8.681 -0.163 1
1 481 . 11 1 1 A 41 41 THR HA H 83 4.243 4.328 -0.085 1
1 486 . 11 1 1 A 41 41 THR C C 83 175.191 175.767 -0.576 1
1 487 . 11 1 1 A 41 41 THR CA C 83 63.584 63.709 -0.125 1
1 488 . 11 1 1 A 41 41 THR CB C 83 69.267 68.933 0.334 1
1 490 . 11 1 1 A 41 41 THR N N 83 114.265 120.414 -6.149 1
1 491 . 11 1 1 A 42 42 SER H H 84 8.179 8.186 -0.007 1
1 492 . 11 1 1 A 42 42 SER HA H 84 4.439 4.714 -0.275 1
1 495 . 11 1 1 A 42 42 SER C C 84 174.269 173.728 0.541 1
1 496 . 11 1 1 A 42 42 SER CA C 84 59.222 58.172 1.050 1
1 497 . 11 1 1 A 42 42 SER CB C 84 63.627 63.674 -0.047 1
1 498 . 11 1 1 A 42 42 SER N N 84 115.576 115.831 -0.255 1
1 499 . 11 1 1 A 43 43 LYS H H 85 7.911 7.003 0.908 1
1 500 . 11 1 1 A 43 43 LYS HA H 85 4.460 4.872 -0.412 1
1 509 . 11 1 1 A 43 43 LYS C C 85 175.440 174.294 1.146 1
1 510 . 11 1 1 A 43 43 LYS CA C 85 55.961 55.862 0.099 1
1 511 . 11 1 1 A 43 43 LYS CB C 85 33.032 35.900 -2.868 1
1 515 . 11 1 1 A 43 43 LYS N N 85 123.691 121.209 2.482 1
1 516 . 11 1 1 A 44 44 THR H H 86 8.165 8.743 -0.578 1
1 517 . 11 1 1 A 44 44 THR HA H 86 4.904 5.778 -0.874 1
1 522 . 11 1 1 A 44 44 THR C C 86 173.685 173.232 0.453 1
1 523 . 11 1 1 A 44 44 THR CA C 86 60.794 60.544 0.250 1
1 524 . 11 1 1 A 44 44 THR CB C 86 71.046 70.856 0.190 1
1 526 . 11 1 1 A 44 44 THR N N 86 117.392 116.165 1.227 1
1 527 . 11 1 1 A 45 45 VAL H H 87 8.155 8.884 -0.729 1
1 528 . 11 1 1 A 45 45 VAL HA H 87 4.402 4.323 0.079 1
1 536 . 11 1 1 A 45 45 VAL C C 87 174.343 175.553 -1.210 1
1 537 . 11 1 1 A 45 45 VAL CA C 87 60.551 60.970 -0.419 1
1 538 . 11 1 1 A 45 45 VAL CB C 87 35.225 33.438 1.787 1
1 541 . 11 1 1 A 45 45 VAL N N 87 123.105 125.680 -2.575 1
1 542 . 11 1 1 A 46 46 TRP H H 88 8.574 8.851 -0.277 1
1 543 . 11 1 1 A 46 46 TRP HA H 88 4.789 5.104 -0.315 1
1 552 . 11 1 1 A 46 46 TRP C C 88 175.287 176.251 -0.964 1
1 553 . 11 1 1 A 46 46 TRP CA C 88 57.716 57.096 0.620 1
1 554 . 11 1 1 A 46 46 TRP CB C 88 30.822 30.147 0.675 1
1 560 . 11 1 1 A 46 46 TRP N N 88 126.326 128.417 -2.091 1
1 562 . 11 1 1 A 47 47 VAL H H 89 9.550 8.780 0.770 1
1 563 . 11 1 1 A 47 47 VAL HA H 89 4.884 4.604 0.280 1
1 571 . 11 1 1 A 47 47 VAL C C 89 173.675 174.206 -0.531 1
1 572 . 11 1 1 A 47 47 VAL CA C 89 60.713 61.422 -0.709 1
1 573 . 11 1 1 A 47 47 VAL CB C 89 33.847 31.992 1.855 1
1 576 . 11 1 1 A 47 47 VAL N N 89 123.380 123.641 -0.261 1
1 577 . 11 1 1 A 48 48 LEU H H 90 8.757 9.175 -0.418 1
1 578 . 11 1 1 A 48 48 LEU HA H 90 5.181 4.823 0.358 1
1 588 . 11 1 1 A 48 48 LEU C C 90 175.118 175.104 0.014 1
1 589 . 11 1 1 A 48 48 LEU CA C 90 53.567 53.736 -0.169 1
1 590 . 11 1 1 A 48 48 LEU CB C 90 45.758 42.497 3.261 1
1 594 . 11 1 1 A 48 48 LEU N N 90 125.653 130.388 -4.735 1
1 595 . 11 1 1 A 49 49 TYR H H 91 9.355 9.198 0.157 1
1 596 . 11 1 1 A 49 49 TYR HA H 91 5.196 5.149 0.047 1
1 603 . 11 1 1 A 49 49 TYR C C 91 172.437 174.680 -2.243 1
1 604 . 11 1 1 A 49 49 TYR CA C 91 56.490 58.890 -2.400 1
1 605 . 11 1 1 A 49 49 TYR CB C 91 41.602 39.718 1.884 1
1 610 . 11 1 1 A 49 49 TYR N N 91 129.351 128.940 0.411 1
1 611 . 11 1 1 A 50 50 LYS H H 92 7.805 7.845 -0.040 1
1 612 . 11 1 1 A 50 50 LYS HA H 92 4.450 4.894 -0.444 1
1 621 . 11 1 1 A 50 50 LYS C C 92 173.949 174.913 -0.964 1
1 622 . 11 1 1 A 50 50 LYS CA C 92 55.264 54.664 0.600 1
1 623 . 11 1 1 A 50 50 LYS CB C 92 32.484 35.237 -2.753 1
1 627 . 11 1 1 A 50 50 LYS N N 92 127.571 125.122 2.449 1
1 628 . 11 1 1 A 51 51 GLY H H 93 7.147 7.987 -0.840 1
1 629 . 11 1 1 A 51 51 GLY HA2 H 93 3.810 3.916 -0.106 1
1 630 . 11 1 1 A 51 51 GLY HA3 H 93 3.609 3.990 -0.381 1
1 631 . 11 1 1 A 51 51 GLY C C 93 170.582 172.852 -2.270 1
1 632 . 11 1 1 A 51 51 GLY CA C 93 43.645 43.667 -0.022 1
1 633 . 11 1 1 A 51 51 GLY N N 93 111.723 109.443 2.280 1
1 634 . 11 1 1 A 52 52 ALA H H 94 8.185 8.131 0.054 1
1 635 . 11 1 1 A 52 52 ALA HA H 94 4.273 4.383 -0.110 1
1 639 . 11 1 1 A 52 52 ALA C C 94 178.775 177.429 1.346 1
1 640 . 11 1 1 A 52 52 ALA CA C 94 52.381 52.389 -0.008 1
1 641 . 11 1 1 A 52 52 ALA CB C 94 18.392 18.880 -0.488 1
1 642 . 11 1 1 A 52 52 ALA N N 94 119.165 123.077 -3.912 1
1 643 . 11 1 1 A 53 53 VAL H H 95 8.967 8.662 0.305 1
1 644 . 11 1 1 A 53 53 VAL HA H 95 4.200 4.486 -0.286 1
1 652 . 11 1 1 A 53 53 VAL C C 95 174.416 174.526 -0.110 1
1 653 . 11 1 1 A 53 53 VAL CA C 95 60.028 60.721 -0.693 1
1 654 . 11 1 1 A 53 53 VAL CB C 95 32.712 32.158 0.554 1
1 657 . 11 1 1 A 53 53 VAL N N 95 127.597 124.758 2.839 1
1 658 . 11 1 1 A 54 54 PRO HA H 96 4.609 4.587 0.022 1
1 665 . 11 1 1 A 54 54 PRO C C 96 177.752 177.225 0.527 1
1 666 . 11 1 1 A 54 54 PRO CA C 96 62.907 63.231 -0.324 1
1 667 . 11 1 1 A 54 54 PRO CB C 96 32.850 32.226 0.624 1
1 670 . 11 1 1 A 55 55 ASP H H 97 9.047 8.786 0.261 1
1 671 . 11 1 1 A 55 55 ASP HA H 97 4.459 4.329 0.130 1
1 674 . 11 1 1 A 55 55 ASP C C 97 176.541 177.740 -1.199 1
1 675 . 11 1 1 A 55 55 ASP CA C 97 56.434 56.481 -0.047 1
1 676 . 11 1 1 A 55 55 ASP CB C 97 39.845 39.877 -0.032 1
1 677 . 11 1 1 A 55 55 ASP N N 97 122.223 124.170 -1.947 1
1 678 . 11 1 1 A 56 56 THR H H 98 7.196 7.619 -0.423 1
1 679 . 11 1 1 A 56 56 THR HA H 98 4.105 4.258 -0.153 1
1 684 . 11 1 1 A 56 56 THR C C 98 174.743 174.982 -0.239 1
1 685 . 11 1 1 A 56 56 THR CA C 98 60.857 64.094 -3.237 1
1 686 . 11 1 1 A 56 56 THR CB C 98 69.227 69.161 0.066 1
1 688 . 11 1 1 A 56 56 THR N N 98 105.196 110.219 -5.023 1
1 689 . 11 1 1 A 57 57 PHE H H 99 7.766 7.480 0.286 1
1 690 . 11 1 1 A 57 57 PHE HA H 99 3.752 4.237 -0.485 1
1 698 . 11 1 1 A 57 57 PHE C C 99 172.629 174.461 -1.832 1
1 699 . 11 1 1 A 57 57 PHE CA C 99 60.570 59.621 0.949 1
1 700 . 11 1 1 A 57 57 PHE CB C 99 40.156 39.469 0.687 1
1 706 . 11 1 1 A 57 57 PHE N N 99 122.514 124.062 -1.548 1
1 707 . 11 1 1 A 58 58 LYS H H 100 6.468 8.360 -1.892 1
1 708 . 11 1 1 A 58 58 LYS HA H 100 4.409 4.531 -0.122 1
1 717 . 11 1 1 A 58 58 LYS C C 100 171.564 173.250 -1.686 1
1 718 . 11 1 1 A 58 58 LYS CA C 100 53.643 53.662 -0.019 1
1 719 . 11 1 1 A 58 58 LYS CB C 100 32.382 35.528 -3.146 1
1 723 . 11 1 1 A 58 58 LYS N N 100 125.478 123.033 2.445 1
1 724 . 11 1 1 A 59 59 PRO HA H 101 3.708 4.096 -0.388 1
1 731 . 11 1 1 A 59 59 PRO C C 101 176.868 177.404 -0.536 1
1 732 . 11 1 1 A 59 59 PRO CA C 101 63.881 63.471 0.410 1
1 733 . 11 1 1 A 59 59 PRO CB C 101 31.168 31.165 0.003 1
1 736 . 11 1 1 A 60 60 GLY H H 102 9.269 8.467 0.802 1
1 737 . 11 1 1 A 60 60 GLY HA2 H 102 4.299 3.912 0.387 1
1 738 . 11 1 1 A 60 60 GLY HA3 H 102 3.502 3.920 -0.418 1
1 739 . 11 1 1 A 60 60 GLY C C 102 174.023 174.272 -0.249 1
1 740 . 11 1 1 A 60 60 GLY CA C 102 45.005 44.999 0.006 1
1 741 . 11 1 1 A 60 60 GLY N N 102 112.023 112.711 -0.688 1
1 742 . 11 1 1 A 61 61 VAL H H 103 7.321 7.399 -0.078 1
1 743 . 11 1 1 A 61 61 VAL HA H 103 4.279 4.345 -0.066 1
1 751 . 11 1 1 A 61 61 VAL C C 103 174.073 175.222 -1.149 1
1 752 . 11 1 1 A 61 61 VAL CA C 103 61.277 60.927 0.350 1
1 753 . 11 1 1 A 61 61 VAL CB C 103 32.882 33.283 -0.401 1
1 756 . 11 1 1 A 61 61 VAL N N 103 118.571 121.713 -3.142 1
1 757 . 11 1 1 A 62 62 GLU H H 104 8.204 8.515 -0.311 1
1 758 . 11 1 1 A 62 62 GLU HA H 104 4.946 4.842 0.104 1
1 763 . 11 1 1 A 62 62 GLU C C 104 176.252 176.541 -0.289 1
1 764 . 11 1 1 A 62 62 GLU CA C 104 55.398 56.648 -1.250 1
1 765 . 11 1 1 A 62 62 GLU CB C 104 30.129 30.131 -0.002 1
1 767 . 11 1 1 A 62 62 GLU N N 104 123.214 126.814 -3.600 1
1 768 . 11 1 1 A 63 63 VAL H H 105 9.066 8.813 0.253 1
1 769 . 11 1 1 A 63 63 VAL HA H 105 5.297 5.195 0.102 1
1 777 . 11 1 1 A 63 63 VAL C C 105 173.913 174.253 -0.340 1
1 778 . 11 1 1 A 63 63 VAL CA C 105 58.284 60.004 -1.720 1
1 779 . 11 1 1 A 63 63 VAL CB C 105 36.265 34.185 2.080 1
1 782 . 11 1 1 A 63 63 VAL N N 105 115.526 118.940 -3.414 1
1 783 . 11 1 1 A 64 64 ILE H H 106 8.542 8.995 -0.453 1
1 784 . 11 1 1 A 64 64 ILE HA H 106 4.775 4.597 0.178 1
1 794 . 11 1 1 A 64 64 ILE C C 106 176.511 175.746 0.765 1
1 795 . 11 1 1 A 64 64 ILE CA C 106 60.804 59.872 0.932 1
1 796 . 11 1 1 A 64 64 ILE CB C 106 40.991 38.734 2.257 1
1 800 . 11 1 1 A 64 64 ILE N N 106 120.283 123.473 -3.190 1
1 801 . 11 1 1 A 65 65 ILE H H 107 8.944 8.484 0.460 1
1 802 . 11 1 1 A 65 65 ILE HA H 107 5.197 4.913 0.284 1
1 812 . 11 1 1 A 65 65 ILE C C 107 174.076 174.618 -0.542 1
1 813 . 11 1 1 A 65 65 ILE CA C 107 58.384 59.272 -0.888 1
1 814 . 11 1 1 A 65 65 ILE CB C 107 42.082 39.126 2.956 1
1 818 . 11 1 1 A 65 65 ILE N N 107 122.157 124.391 -2.234 1
1 819 . 11 1 1 A 66 66 GLU H H 108 7.762 8.828 -1.066 1
1 820 . 11 1 1 A 66 66 GLU HA H 108 5.801 5.414 0.387 1
1 825 . 11 1 1 A 66 66 GLU C C 108 176.789 175.425 1.364 1
1 826 . 11 1 1 A 66 66 GLU CA C 108 54.063 55.461 -1.398 1
1 827 . 11 1 1 A 66 66 GLU CB C 108 32.818 33.649 -0.831 1
1 829 . 11 1 1 A 66 66 GLU N N 108 119.473 124.110 -4.637 1
1 830 . 11 1 1 A 67 67 GLY H H 109 9.064 8.452 0.612 1
1 831 . 11 1 1 A 67 67 GLY HA2 H 109 4.773 4.165 0.608 1
1 832 . 11 1 1 A 67 67 GLY HA3 H 109 3.948 4.209 -0.261 1
1 833 . 11 1 1 A 67 67 GLY C C 109 170.431 172.005 -1.574 1
1 834 . 11 1 1 A 67 67 GLY CA C 109 46.598 46.022 0.576 1
1 835 . 11 1 1 A 67 67 GLY N N 109 112.366 112.442 -0.076 1
1 836 . 11 1 1 A 68 68 GLY H H 110 7.116 7.113 0.003 1
1 837 . 11 1 1 A 68 68 GLY HA2 H 110 3.949 3.643 0.306 1
1 838 . 11 1 1 A 68 68 GLY HA3 H 110 3.732 3.796 -0.064 1
1 839 . 11 1 1 A 68 68 GLY C C 110 170.827 171.017 -0.190 1
1 840 . 11 1 1 A 68 68 GLY CA C 110 45.228 45.217 0.011 1
1 841 . 11 1 1 A 68 68 GLY N N 110 109.402 108.396 1.006 1
1 842 . 11 1 1 A 69 69 LEU H H 111 8.542 8.475 0.067 1
1 843 . 11 1 1 A 69 69 LEU HA H 111 4.546 4.937 -0.391 1
1 853 . 11 1 1 A 69 69 LEU C C 111 175.890 175.159 0.731 1
1 854 . 11 1 1 A 69 69 LEU CA C 111 54.400 53.246 1.154 1
1 855 . 11 1 1 A 69 69 LEU CB C 111 43.814 44.951 -1.137 1
1 859 . 11 1 1 A 69 69 LEU N N 111 122.808 123.094 -0.286 1
1 860 . 11 1 1 A 70 70 ALA H H 112 8.889 8.328 0.561 1
1 861 . 11 1 1 A 70 70 ALA HA H 112 4.639 4.853 -0.214 1
1 865 . 11 1 1 A 70 70 ALA C C 112 174.900 176.751 -1.851 1
1 866 . 11 1 1 A 70 70 ALA CA C 112 49.951 49.232 0.719 1
1 867 . 11 1 1 A 70 70 ALA CB C 112 18.111 20.928 -2.817 1
1 868 . 11 1 1 A 70 70 ALA N N 112 130.675 128.387 2.288 1
1 869 . 11 1 1 A 71 71 PRO HA H 113 4.338 4.369 -0.031 1
1 876 . 11 1 1 A 71 71 PRO C C 113 178.206 178.020 0.186 1
1 877 . 11 1 1 A 71 71 PRO CA C 113 64.055 65.561 -1.506 1
1 878 . 11 1 1 A 71 71 PRO CB C 113 31.754 31.826 -0.072 1
1 881 . 11 1 1 A 72 72 GLY H H 114 8.748 8.419 0.329 1
1 882 . 11 1 1 A 72 72 GLY HA2 H 114 4.165 3.950 0.215 1
1 883 . 11 1 1 A 72 72 GLY HA3 H 114 3.775 3.955 -0.180 1
1 884 . 11 1 1 A 72 72 GLY C C 114 174.200 173.295 0.905 1
1 885 . 11 1 1 A 72 72 GLY CA C 114 45.602 45.318 0.284 1
1 886 . 11 1 1 A 72 72 GLY N N 114 111.945 108.034 3.911 1
1 887 . 11 1 1 A 73 73 GLU H H 115 7.931 7.447 0.484 1
1 888 . 11 1 1 A 73 73 GLU HA H 115 4.581 4.977 -0.396 1
1 893 . 11 1 1 A 73 73 GLU C C 115 175.843 176.054 -0.211 1
1 894 . 11 1 1 A 73 73 GLU CA C 115 55.732 55.080 0.652 1
1 895 . 11 1 1 A 73 73 GLU CB C 115 31.128 32.885 -1.757 1
1 897 . 11 1 1 A 73 73 GLU N N 115 118.591 120.489 -1.898 1
1 898 . 11 1 1 A 74 74 ASP H H 116 8.467 8.803 -0.336 1
1 899 . 11 1 1 A 74 74 ASP HA H 116 4.823 4.759 0.064 1
1 902 . 11 1 1 A 74 74 ASP C C 116 175.848 175.614 0.234 1
1 903 . 11 1 1 A 74 74 ASP CA C 116 53.831 54.049 -0.218 1
1 904 . 11 1 1 A 74 74 ASP CB C 116 41.052 40.896 0.156 1
1 905 . 11 1 1 A 74 74 ASP N N 116 118.021 123.529 -5.508 1
1 906 . 11 1 1 A 75 75 THR H H 117 7.301 7.592 -0.291 1
1 907 . 11 1 1 A 75 75 THR HA H 117 4.620 4.992 -0.372 1
1 912 . 11 1 1 A 75 75 THR C C 117 172.120 172.699 -0.579 1
1 913 . 11 1 1 A 75 75 THR CA C 117 61.907 60.025 1.882 1
1 914 . 11 1 1 A 75 75 THR CB C 117 71.398 71.628 -0.230 1
1 916 . 11 1 1 A 75 75 THR N N 117 114.820 113.256 1.564 1
1 917 . 11 1 1 A 76 76 PHE H H 118 9.657 9.310 0.347 1
1 918 . 11 1 1 A 76 76 PHE HA H 118 4.290 4.586 -0.296 1
1 926 . 11 1 1 A 76 76 PHE C C 118 174.118 174.509 -0.391 1
1 927 . 11 1 1 A 76 76 PHE CA C 118 58.185 57.676 0.509 1
1 928 . 11 1 1 A 76 76 PHE CB C 118 40.718 39.534 1.184 1
1 934 . 11 1 1 A 76 76 PHE N N 118 130.378 128.862 1.516 1
1 935 . 11 1 1 A 77 77 LYS H H 119 8.364 8.165 0.199 1
1 936 . 11 1 1 A 77 77 LYS HA H 119 4.853 4.343 0.510 1
1 945 . 11 1 1 A 77 77 LYS C C 119 175.278 174.730 0.548 1
1 946 . 11 1 1 A 77 77 LYS CA C 119 55.282 56.292 -1.010 1
1 947 . 11 1 1 A 77 77 LYS CB C 119 31.319 32.470 -1.151 1
1 951 . 11 1 1 A 77 77 LYS N N 119 129.777 128.759 1.018 1
1 952 . 11 1 1 A 78 78 ALA H H 120 8.837 8.634 0.203 1
1 953 . 11 1 1 A 78 78 ALA HA H 120 4.828 4.683 0.145 1
1 957 . 11 1 1 A 78 78 ALA C C 120 176.015 177.441 -1.426 1
1 958 . 11 1 1 A 78 78 ALA CA C 120 51.435 51.829 -0.394 1
1 959 . 11 1 1 A 78 78 ALA CB C 120 20.006 18.894 1.112 1
1 960 . 11 1 1 A 78 78 ALA N N 120 129.771 129.891 -0.120 1
1 961 . 11 1 1 A 79 79 ARG H H 121 9.846 8.645 1.201 1
1 962 . 11 1 1 A 79 79 ARG HA H 121 4.582 4.114 0.468 1
1 970 . 11 1 1 A 79 79 ARG C C 121 176.651 175.736 0.915 1
1 971 . 11 1 1 A 79 79 ARG CA C 121 57.420 58.302 -0.882 1
1 972 . 11 1 1 A 79 79 ARG CB C 121 31.773 30.971 0.802 1
1 975 . 11 1 1 A 79 79 ARG N N 121 125.113 125.637 -0.524 1
1 977 . 11 1 1 A 80 80 THR H H 122 7.938 7.650 0.288 1
1 978 . 11 1 1 A 80 80 THR HA H 122 4.921 5.387 -0.466 1
1 983 . 11 1 1 A 80 80 THR C C 122 172.002 172.537 -0.535 1
1 984 . 11 1 1 A 80 80 THR CA C 122 60.475 61.209 -0.734 1
1 985 . 11 1 1 A 80 80 THR CB C 122 72.093 73.119 -1.026 1
1 987 . 11 1 1 A 80 80 THR N N 122 109.595 111.193 -1.598 1
1 988 . 11 1 1 A 81 81 LEU H H 123 8.196 8.821 -0.625 1
1 989 . 11 1 1 A 81 81 LEU HA H 123 4.701 4.915 -0.214 1
1 999 . 11 1 1 A 81 81 LEU C C 123 173.804 173.901 -0.097 1
1 1000 . 11 1 1 A 81 81 LEU CA C 123 55.357 54.102 1.255 1
1 1001 . 11 1 1 A 81 81 LEU CB C 123 44.009 45.260 -1.251 1
1 1005 . 11 1 1 A 81 81 LEU N N 123 123.214 126.630 -3.416 1
1 1006 . 11 1 1 A 82 82 MET H H 124 8.700 8.951 -0.251 1
1 1007 . 11 1 1 A 82 82 MET HA H 124 4.841 5.174 -0.333 1
1 1015 . 11 1 1 A 82 82 MET C C 124 175.097 175.051 0.046 1
1 1016 . 11 1 1 A 82 82 MET CA C 124 54.190 54.003 0.187 1
1 1017 . 11 1 1 A 82 82 MET CB C 124 36.191 35.662 0.529 1
1 1020 . 11 1 1 A 82 82 MET N N 124 124.452 125.987 -1.535 1
1 1021 . 11 1 1 A 83 83 THR H H 125 8.671 8.568 0.103 1
1 1022 . 11 1 1 A 83 83 THR HA H 125 4.934 4.953 -0.019 1
1 1027 . 11 1 1 A 83 83 THR C C 125 174.094 175.134 -1.040 1
1 1028 . 11 1 1 A 83 83 THR CA C 125 60.253 59.315 0.938 1
1 1029 . 11 1 1 A 83 83 THR CB C 125 69.831 71.212 -1.381 1
1 1031 . 11 1 1 A 83 83 THR N N 125 113.070 113.851 -0.781 1
1 1032 . 11 1 1 A 84 84 LYS H H 126 8.419 8.805 -0.386 1
1 1033 . 11 1 1 A 84 84 LYS HA H 126 4.446 4.393 0.053 1
1 1042 . 11 1 1 A 84 84 LYS C C 126 175.461 176.637 -1.176 1
1 1043 . 11 1 1 A 84 84 LYS CA C 126 55.500 57.431 -1.931 1
1 1044 . 11 1 1 A 84 84 LYS CB C 126 33.736 33.336 0.400 1
1 1048 . 11 1 1 A 84 84 LYS N N 126 123.139 120.899 2.240 1
1 1049 . 11 1 1 A 85 85 CYS H H 127 8.543 7.780 0.763 1
1 1050 . 11 1 1 A 85 85 CYS HA H 127 4.795 4.848 -0.053 1
1 1053 . 11 1 1 A 85 85 CYS C C 127 172.809 173.564 -0.755 1
1 1054 . 11 1 1 A 85 85 CYS CA C 127 56.423 55.900 0.523 1
1 1055 . 11 1 1 A 85 85 CYS CB C 127 27.739 30.546 -2.807 1
1 1056 . 11 1 1 A 85 85 CYS N N 127 123.709 117.601 6.108 1
1 1057 . 11 1 1 A 86 86 PRO HA H 128 4.439 4.648 -0.209 1
1 1064 . 11 1 1 A 86 86 PRO C C 128 176.560 175.668 0.892 1
1 1065 . 11 1 1 A 86 86 PRO CA C 128 63.292 62.266 1.026 1
1 1066 . 11 1 1 A 86 86 PRO CB C 128 32.165 33.105 -0.940 1
1 1069 . 11 1 1 A 87 87 LEU H H 129 8.274 8.468 -0.194 1
1 1070 . 11 1 1 A 87 87 LEU HA H 129 4.256 4.522 -0.266 1
1 1080 . 11 1 1 A 87 87 LEU C C 129 177.141 175.366 1.775 1
1 1081 . 11 1 1 A 87 87 LEU CA C 129 55.281 54.338 0.943 1
1 1082 . 11 1 1 A 87 87 LEU CB C 129 42.299 40.874 1.425 1
1 1086 . 11 1 1 A 87 87 LEU N N 129 122.188 121.428 0.760 1
1 1 . 12 1 1 A 2 2 ALA HA H 44 4.214 4.269 -0.055 1
1 5 . 12 1 1 A 2 2 ALA C C 44 173.758 178.224 -4.466 1
1 6 . 12 1 1 A 2 2 ALA CA C 44 51.848 55.053 -3.205 1
1 7 . 12 1 1 A 2 2 ALA CB C 44 19.505 19.134 0.371 1
1 8 . 12 1 1 A 3 3 THR H H 45 8.709 7.750 0.959 1
1 9 . 12 1 1 A 3 3 THR HA H 45 4.694 4.363 0.331 1
1 14 . 12 1 1 A 3 3 THR CA C 45 60.191 60.574 -0.383 1
1 15 . 12 1 1 A 3 3 THR CB C 45 69.815 69.285 0.530 1
1 17 . 12 1 1 A 3 3 THR N N 45 116.649 112.937 3.712 1
1 18 . 12 1 1 A 4 4 PRO HA H 46 4.412 4.440 -0.028 1
1 25 . 12 1 1 A 4 4 PRO C C 46 177.212 176.308 0.904 1
1 26 . 12 1 1 A 4 4 PRO CA C 46 63.698 63.149 0.549 1
1 27 . 12 1 1 A 4 4 PRO CB C 46 32.117 31.797 0.320 1
1 30 . 12 1 1 A 5 5 GLN H H 47 8.463 8.767 -0.304 1
1 31 . 12 1 1 A 5 5 GLN HA H 47 4.260 4.530 -0.270 1
1 38 . 12 1 1 A 5 5 GLN C C 47 176.073 175.337 0.736 1
1 39 . 12 1 1 A 5 5 GLN CA C 47 56.328 55.045 1.283 1
1 40 . 12 1 1 A 5 5 GLN CB C 47 29.286 28.669 0.617 1
1 43 . 12 1 1 A 5 5 GLN N N 47 119.945 123.231 -3.286 1
1 45 . 12 1 1 A 6 6 ASP H H 48 8.276 8.637 -0.361 1
1 46 . 12 1 1 A 6 6 ASP HA H 48 4.558 4.622 -0.064 1
1 49 . 12 1 1 A 6 6 ASP C C 48 176.454 176.142 0.312 1
1 50 . 12 1 1 A 6 6 ASP CA C 48 54.538 53.615 0.923 1
1 51 . 12 1 1 A 6 6 ASP CB C 48 40.873 40.520 0.353 1
1 52 . 12 1 1 A 6 6 ASP N N 48 120.974 126.290 -5.316 1
1 53 . 12 1 1 A 7 7 LYS H H 49 8.218 7.771 0.447 1
1 54 . 12 1 1 A 7 7 LYS HA H 49 4.264 4.122 0.142 1
1 63 . 12 1 1 A 7 7 LYS C C 49 176.665 178.182 -1.517 1
1 64 . 12 1 1 A 7 7 LYS CA C 49 56.655 58.151 -1.496 1
1 65 . 12 1 1 A 7 7 LYS CB C 49 32.837 32.384 0.453 1
1 69 . 12 1 1 A 7 7 LYS N N 49 120.950 119.951 0.999 1
1 70 . 12 1 1 A 8 8 LEU H H 50 8.010 7.681 0.329 1
1 71 . 12 1 1 A 8 8 LEU HA H 50 4.279 4.451 -0.172 1
1 81 . 12 1 1 A 8 8 LEU C C 50 177.110 176.730 0.380 1
1 82 . 12 1 1 A 8 8 LEU CA C 50 55.353 54.349 1.004 1
1 83 . 12 1 1 A 8 8 LEU CB C 50 42.302 41.305 0.997 1
1 87 . 12 1 1 A 8 8 LEU N N 50 121.105 117.483 3.622 1
1 88 . 12 1 1 A 9 9 HIS H H 51 8.411 7.619 0.792 1
1 89 . 12 1 1 A 9 9 HIS HA H 51 4.780 4.672 0.108 1
1 92 . 12 1 1 A 9 9 HIS C C 51 174.285 173.894 0.391 1
1 93 . 12 1 1 A 9 9 HIS CA C 51 55.320 55.167 0.153 1
1 94 . 12 1 1 A 9 9 HIS CB C 51 28.827 27.909 0.918 1
1 95 . 12 1 1 A 9 9 HIS N N 51 119.035 120.448 -1.413 1
1 96 . 12 1 1 A 10 10 THR H H 52 8.178 8.331 -0.153 1
1 97 . 12 1 1 A 10 10 THR HA H 52 4.488 5.118 -0.630 1
1 102 . 12 1 1 A 10 10 THR C C 52 173.766 172.600 1.166 1
1 103 . 12 1 1 A 10 10 THR CA C 52 62.392 59.769 2.623 1
1 104 . 12 1 1 A 10 10 THR CB C 52 70.104 72.412 -2.308 1
1 106 . 12 1 1 A 10 10 THR N N 52 117.285 112.334 4.951 1
1 107 . 12 1 1 A 11 11 VAL H H 53 9.088 8.883 0.205 1
1 108 . 12 1 1 A 11 11 VAL HA H 53 4.464 4.641 -0.177 1
1 116 . 12 1 1 A 11 11 VAL C C 53 174.048 174.308 -0.260 1
1 117 . 12 1 1 A 11 11 VAL CA C 53 61.359 61.633 -0.274 1
1 118 . 12 1 1 A 11 11 VAL CB C 53 34.602 32.784 1.818 1
1 121 . 12 1 1 A 11 11 VAL N N 53 123.969 122.728 1.241 1
1 122 . 12 1 1 A 12 12 ARG H H 54 8.386 9.142 -0.756 1
1 123 . 12 1 1 A 12 12 ARG HA H 54 5.495 5.137 0.358 1
1 131 . 12 1 1 A 12 12 ARG C C 54 175.364 174.411 0.953 1
1 132 . 12 1 1 A 12 12 ARG CA C 54 54.401 54.442 -0.041 1
1 133 . 12 1 1 A 12 12 ARG CB C 54 32.753 32.666 0.087 1
1 136 . 12 1 1 A 12 12 ARG N N 54 125.294 129.918 -4.624 1
1 138 . 12 1 1 A 13 13 LEU H H 55 8.828 8.790 0.038 1
1 139 . 12 1 1 A 13 13 LEU HA H 55 4.726 4.989 -0.263 1
1 149 . 12 1 1 A 13 13 LEU C C 55 174.223 175.792 -1.569 1
1 150 . 12 1 1 A 13 13 LEU CA C 55 53.309 53.351 -0.042 1
1 151 . 12 1 1 A 13 13 LEU CB C 55 45.884 44.782 1.102 1
1 155 . 12 1 1 A 13 13 LEU N N 55 124.874 128.360 -3.486 1
1 156 . 12 1 1 A 14 14 PHE H H 56 8.195 8.988 -0.793 1
1 157 . 12 1 1 A 14 14 PHE HA H 56 5.576 5.360 0.216 1
1 165 . 12 1 1 A 14 14 PHE C C 56 175.266 175.936 -0.670 1
1 166 . 12 1 1 A 14 14 PHE CA C 56 55.009 55.907 -0.898 1
1 167 . 12 1 1 A 14 14 PHE CB C 56 42.340 41.645 0.695 1
1 173 . 12 1 1 A 14 14 PHE N N 56 118.334 120.157 -1.823 1
1 174 . 12 1 1 A 15 15 GLY H H 57 8.134 8.194 -0.060 1
1 175 . 12 1 1 A 15 15 GLY HA2 H 57 4.229 4.266 -0.037 1
1 176 . 12 1 1 A 15 15 GLY HA3 H 57 4.004 4.273 -0.269 1
1 177 . 12 1 1 A 15 15 GLY C C 57 171.108 171.833 -0.725 1
1 178 . 12 1 1 A 15 15 GLY CA C 57 45.857 45.836 0.021 1
1 179 . 12 1 1 A 15 15 GLY N N 57 109.159 109.716 -0.557 1
1 180 . 12 1 1 A 16 16 THR H H 58 8.595 8.506 0.089 1
1 181 . 12 1 1 A 16 16 THR HA H 58 5.114 5.147 -0.033 1
1 186 . 12 1 1 A 16 16 THR C C 58 174.484 173.753 0.731 1
1 187 . 12 1 1 A 16 16 THR CA C 58 60.591 61.299 -0.708 1
1 188 . 12 1 1 A 16 16 THR CB C 58 71.164 71.699 -0.535 1
1 190 . 12 1 1 A 16 16 THR N N 58 113.580 115.258 -1.678 1
1 191 . 12 1 1 A 17 17 VAL H H 59 8.053 8.648 -0.595 1
1 192 . 12 1 1 A 17 17 VAL HA H 59 3.876 4.247 -0.371 1
1 200 . 12 1 1 A 17 17 VAL C C 59 176.315 176.018 0.297 1
1 201 . 12 1 1 A 17 17 VAL CA C 59 63.549 62.702 0.847 1
1 202 . 12 1 1 A 17 17 VAL CB C 59 32.779 31.525 1.254 1
1 205 . 12 1 1 A 17 17 VAL N N 59 124.410 126.912 -2.502 1
1 206 . 12 1 1 A 18 18 ALA H H 60 8.931 8.689 0.242 1
1 207 . 12 1 1 A 18 18 ALA HA H 60 4.354 4.380 -0.026 1
1 211 . 12 1 1 A 18 18 ALA C C 60 177.293 177.742 -0.449 1
1 212 . 12 1 1 A 18 18 ALA CA C 60 52.138 52.028 0.110 1
1 213 . 12 1 1 A 18 18 ALA CB C 60 19.782 19.469 0.313 1
1 214 . 12 1 1 A 18 18 ALA N N 60 133.912 130.528 3.384 1
1 215 . 12 1 1 A 19 19 ALA H H 61 8.548 8.740 -0.192 1
1 216 . 12 1 1 A 19 19 ALA HA H 61 4.105 4.189 -0.084 1
1 220 . 12 1 1 A 19 19 ALA C C 61 178.793 177.448 1.345 1
1 221 . 12 1 1 A 19 19 ALA CA C 61 54.218 54.215 0.003 1
1 222 . 12 1 1 A 19 19 ALA CB C 61 18.969 19.177 -0.208 1
1 223 . 12 1 1 A 19 19 ALA N N 61 121.667 122.443 -0.776 1
1 224 . 12 1 1 A 20 20 ASP H H 62 8.117 7.887 0.230 1
1 225 . 12 1 1 A 20 20 ASP HA H 62 4.602 4.675 -0.073 1
1 228 . 12 1 1 A 20 20 ASP C C 62 177.210 177.135 0.075 1
1 229 . 12 1 1 A 20 20 ASP CA C 62 54.575 54.639 -0.064 1
1 230 . 12 1 1 A 20 20 ASP CB C 62 41.188 39.666 1.522 1
1 231 . 12 1 1 A 20 20 ASP N N 62 115.534 117.387 -1.853 1
1 232 . 12 1 1 A 21 21 GLY H H 63 8.996 9.019 -0.023 1
1 233 . 12 1 1 A 21 21 GLY HA2 H 63 4.311 4.073 0.238 1
1 234 . 12 1 1 A 21 21 GLY HA3 H 63 3.888 4.222 -0.334 1
1 235 . 12 1 1 A 21 21 GLY C C 63 173.384 174.449 -1.065 1
1 236 . 12 1 1 A 21 21 GLY CA C 63 46.124 45.508 0.616 1
1 237 . 12 1 1 A 21 21 GLY N N 63 112.754 112.031 0.723 1
1 238 . 12 1 1 A 22 22 LEU H H 64 7.380 7.873 -0.493 1
1 239 . 12 1 1 A 22 22 LEU HA H 64 4.964 5.118 -0.154 1
1 249 . 12 1 1 A 22 22 LEU C C 64 178.011 175.726 2.285 1
1 250 . 12 1 1 A 22 22 LEU CA C 64 57.159 53.919 3.240 1
1 251 . 12 1 1 A 22 22 LEU CB C 64 42.160 43.629 -1.469 1
1 255 . 12 1 1 A 22 22 LEU N N 64 123.991 123.220 0.771 1
1 256 . 12 1 1 A 23 23 THR H H 65 9.752 9.164 0.588 1
1 257 . 12 1 1 A 23 23 THR HA H 65 4.755 4.771 -0.016 1
1 262 . 12 1 1 A 23 23 THR C C 65 173.249 173.241 0.008 1
1 263 . 12 1 1 A 23 23 THR CA C 65 61.231 61.401 -0.170 1
1 264 . 12 1 1 A 23 23 THR CB C 65 71.995 72.462 -0.467 1
1 266 . 12 1 1 A 23 23 THR N N 65 124.024 123.676 0.348 1
1 267 . 12 1 1 A 24 24 MET H H 66 8.881 8.613 0.268 1
1 268 . 12 1 1 A 24 24 MET HA H 66 5.019 4.782 0.237 1
1 276 . 12 1 1 A 24 24 MET C C 66 176.750 176.997 -0.247 1
1 277 . 12 1 1 A 24 24 MET CA C 66 54.452 54.615 -0.163 1
1 278 . 12 1 1 A 24 24 MET CB C 66 31.809 33.231 -1.422 1
1 281 . 12 1 1 A 24 24 MET N N 66 125.215 125.196 0.019 1
1 282 . 12 1 1 A 25 25 LEU H H 67 8.037 8.339 -0.302 1
1 283 . 12 1 1 A 25 25 LEU HA H 67 4.253 4.308 -0.055 1
1 293 . 12 1 1 A 25 25 LEU C C 67 176.617 176.690 -0.073 1
1 294 . 12 1 1 A 25 25 LEU CA C 67 55.259 55.097 0.162 1
1 295 . 12 1 1 A 25 25 LEU CB C 67 41.019 42.550 -1.531 1
1 299 . 12 1 1 A 25 25 LEU N N 67 123.282 122.444 0.838 1
1 300 . 12 1 1 A 26 26 ASP H H 68 8.419 8.508 -0.089 1
1 301 . 12 1 1 A 26 26 ASP HA H 68 4.695 5.168 -0.473 1
1 304 . 12 1 1 A 26 26 ASP C C 68 176.728 176.029 0.699 1
1 305 . 12 1 1 A 26 26 ASP CA C 68 53.907 52.313 1.594 1
1 306 . 12 1 1 A 26 26 ASP CB C 68 41.338 43.709 -2.371 1
1 307 . 12 1 1 A 26 26 ASP N N 68 120.434 121.104 -0.670 1
1 308 . 12 1 1 A 27 27 GLY H H 69 8.607 8.736 -0.129 1
1 309 . 12 1 1 A 27 27 GLY HA2 H 69 4.055 3.883 0.172 1
1 310 . 12 1 1 A 27 27 GLY HA3 H 69 3.665 3.886 -0.221 1
1 311 . 12 1 1 A 27 27 GLY C C 69 173.151 173.189 -0.038 1
1 312 . 12 1 1 A 27 27 GLY CA C 69 45.895 45.500 0.395 1
1 313 . 12 1 1 A 27 27 GLY N N 69 112.545 110.656 1.889 1
1 314 . 12 1 1 A 28 28 ALA H H 70 7.634 7.546 0.088 1
1 315 . 12 1 1 A 28 28 ALA HA H 70 4.575 4.548 0.027 1
1 319 . 12 1 1 A 28 28 ALA C C 70 174.090 174.326 -0.236 1
1 320 . 12 1 1 A 28 28 ALA CA C 70 50.137 50.590 -0.453 1
1 321 . 12 1 1 A 28 28 ALA CB C 70 19.221 21.571 -2.350 1
1 322 . 12 1 1 A 28 28 ALA N N 70 125.545 119.710 5.835 1
1 323 . 12 1 1 A 29 29 PRO HA H 71 4.462 4.493 -0.031 1
1 330 . 12 1 1 A 29 29 PRO C C 71 176.671 175.953 0.718 1
1 331 . 12 1 1 A 29 29 PRO CA C 71 63.021 63.302 -0.281 1
1 332 . 12 1 1 A 29 29 PRO CB C 71 32.015 32.298 -0.283 1
1 335 . 12 1 1 A 30 30 GLY H H 72 7.988 8.098 -0.110 1
1 336 . 12 1 1 A 30 30 GLY HA2 H 72 5.001 4.009 0.992 1
1 337 . 12 1 1 A 30 30 GLY HA3 H 72 3.991 4.010 -0.019 1
1 338 . 12 1 1 A 30 30 GLY C C 72 172.906 171.143 1.763 1
1 339 . 12 1 1 A 30 30 GLY CA C 72 45.642 44.545 1.097 1
1 340 . 12 1 1 A 30 30 GLY N N 72 109.355 107.959 1.396 1
1 341 . 12 1 1 A 31 31 VAL H H 73 9.332 8.530 0.802 1
1 342 . 12 1 1 A 31 31 VAL HA H 73 5.194 4.871 0.323 1
1 350 . 12 1 1 A 31 31 VAL C C 73 171.443 173.366 -1.923 1
1 351 . 12 1 1 A 31 31 VAL CA C 73 60.233 59.916 0.317 1
1 352 . 12 1 1 A 31 31 VAL CB C 73 35.471 35.306 0.165 1
1 355 . 12 1 1 A 31 31 VAL N N 73 116.539 119.146 -2.607 1
1 356 . 12 1 1 A 32 32 ARG H H 74 8.956 9.060 -0.104 1
1 357 . 12 1 1 A 32 32 ARG HA H 74 5.999 5.474 0.525 1
1 365 . 12 1 1 A 32 32 ARG C C 74 174.581 175.868 -1.287 1
1 366 . 12 1 1 A 32 32 ARG CA C 74 54.187 54.957 -0.770 1
1 367 . 12 1 1 A 32 32 ARG CB C 74 33.463 31.734 1.729 1
1 370 . 12 1 1 A 32 32 ARG N N 74 127.557 130.069 -2.512 1
1 372 . 12 1 1 A 33 33 PHE H H 75 9.262 8.672 0.590 1
1 373 . 12 1 1 A 33 33 PHE HA H 75 5.461 5.900 -0.439 1
1 381 . 12 1 1 A 33 33 PHE C C 75 171.210 172.633 -1.423 1
1 382 . 12 1 1 A 33 33 PHE CA C 75 55.947 55.552 0.395 1
1 383 . 12 1 1 A 33 33 PHE CB C 75 41.151 42.448 -1.297 1
1 389 . 12 1 1 A 33 33 PHE N N 75 120.514 122.061 -1.547 1
1 390 . 12 1 1 A 34 34 ARG H H 76 9.921 8.735 1.186 1
1 391 . 12 1 1 A 34 34 ARG HA H 76 4.368 4.176 0.192 1
1 399 . 12 1 1 A 34 34 ARG C C 76 173.994 175.312 -1.318 1
1 400 . 12 1 1 A 34 34 ARG CA C 76 54.594 55.421 -0.827 1
1 401 . 12 1 1 A 34 34 ARG CB C 76 31.539 30.445 1.094 1
1 404 . 12 1 1 A 34 34 ARG N N 76 122.011 121.316 0.695 1
1 406 . 12 1 1 A 35 35 LEU H H 77 8.781 8.708 0.073 1
1 407 . 12 1 1 A 35 35 LEU HA H 77 4.755 4.759 -0.004 1
1 417 . 12 1 1 A 35 35 LEU C C 77 176.305 174.918 1.387 1
1 418 . 12 1 1 A 35 35 LEU CA C 77 53.188 54.903 -1.715 1
1 419 . 12 1 1 A 35 35 LEU CB C 77 44.689 42.792 1.897 1
1 423 . 12 1 1 A 35 35 LEU N N 77 127.038 128.750 -1.712 1
1 424 . 12 1 1 A 36 36 GLU H H 78 9.342 8.751 0.591 1
1 425 . 12 1 1 A 36 36 GLU HA H 78 4.531 4.589 -0.058 1
1 430 . 12 1 1 A 36 36 GLU C C 78 175.380 175.724 -0.344 1
1 431 . 12 1 1 A 36 36 GLU CA C 78 54.829 56.063 -1.234 1
1 432 . 12 1 1 A 36 36 GLU CB C 78 29.842 29.997 -0.155 1
1 434 . 12 1 1 A 36 36 GLU N N 78 126.891 127.183 -0.292 1
1 435 . 12 1 1 A 37 37 ASP H H 79 8.418 8.320 0.098 1
1 436 . 12 1 1 A 37 37 ASP HA H 79 4.630 4.552 0.078 1
1 439 . 12 1 1 A 37 37 ASP C C 79 176.623 176.700 -0.077 1
1 440 . 12 1 1 A 37 37 ASP CA C 79 53.996 54.405 -0.409 1
1 441 . 12 1 1 A 37 37 ASP CB C 79 41.401 42.752 -1.351 1
1 442 . 12 1 1 A 37 37 ASP N N 79 125.084 126.846 -1.762 1
1 443 . 12 1 1 A 38 38 LYS H H 80 8.691 9.171 -0.480 1
1 444 . 12 1 1 A 38 38 LYS HA H 80 4.064 4.226 -0.162 1
1 453 . 12 1 1 A 38 38 LYS C C 80 176.779 178.273 -1.494 1
1 454 . 12 1 1 A 38 38 LYS CA C 80 57.994 57.701 0.293 1
1 455 . 12 1 1 A 38 38 LYS CB C 80 32.404 32.609 -0.205 1
1 459 . 12 1 1 A 38 38 LYS N N 80 124.179 126.484 -2.305 1
1 460 . 12 1 1 A 39 39 ASP H H 81 8.355 7.742 0.613 1
1 461 . 12 1 1 A 39 39 ASP HA H 81 4.591 4.463 0.128 1
1 464 . 12 1 1 A 39 39 ASP C C 81 175.682 175.955 -0.273 1
1 465 . 12 1 1 A 39 39 ASP CA C 81 54.888 56.242 -1.354 1
1 466 . 12 1 1 A 39 39 ASP CB C 81 41.040 41.663 -0.623 1
1 467 . 12 1 1 A 39 39 ASP N N 81 117.392 119.269 -1.877 1
1 468 . 12 1 1 A 40 40 ASN H H 82 7.954 7.730 0.224 1
1 469 . 12 1 1 A 40 40 ASN HA H 82 4.785 5.006 -0.221 1
1 474 . 12 1 1 A 40 40 ASN C C 82 175.435 174.997 0.438 1
1 475 . 12 1 1 A 40 40 ASN CA C 82 53.032 52.135 0.897 1
1 476 . 12 1 1 A 40 40 ASN CB C 82 38.471 39.815 -1.344 1
1 478 . 12 1 1 A 40 40 ASN N N 82 117.785 114.354 3.431 1
1 480 . 12 1 1 A 41 41 THR H H 83 8.518 8.803 -0.285 1
1 481 . 12 1 1 A 41 41 THR HA H 83 4.243 4.064 0.179 1
1 486 . 12 1 1 A 41 41 THR C C 83 175.191 176.281 -1.090 1
1 487 . 12 1 1 A 41 41 THR CA C 83 63.584 64.925 -1.341 1
1 488 . 12 1 1 A 41 41 THR CB C 83 69.267 69.060 0.207 1
1 490 . 12 1 1 A 41 41 THR N N 83 114.265 121.245 -6.980 1
1 491 . 12 1 1 A 42 42 SER H H 84 8.179 8.078 0.101 1
1 492 . 12 1 1 A 42 42 SER HA H 84 4.439 4.311 0.128 1
1 495 . 12 1 1 A 42 42 SER C C 84 174.269 174.161 0.108 1
1 496 . 12 1 1 A 42 42 SER CA C 84 59.222 60.524 -1.302 1
1 497 . 12 1 1 A 42 42 SER CB C 84 63.627 62.667 0.960 1
1 498 . 12 1 1 A 42 42 SER N N 84 115.576 114.941 0.635 1
1 499 . 12 1 1 A 43 43 LYS H H 85 7.911 7.633 0.278 1
1 500 . 12 1 1 A 43 43 LYS HA H 85 4.460 4.443 0.017 1
1 509 . 12 1 1 A 43 43 LYS C C 85 175.440 174.737 0.703 1
1 510 . 12 1 1 A 43 43 LYS CA C 85 55.961 54.980 0.981 1
1 511 . 12 1 1 A 43 43 LYS CB C 85 33.032 32.050 0.982 1
1 515 . 12 1 1 A 43 43 LYS N N 85 123.691 119.470 4.221 1
1 516 . 12 1 1 A 44 44 THR H H 86 8.165 8.600 -0.435 1
1 517 . 12 1 1 A 44 44 THR HA H 86 4.904 5.291 -0.387 1
1 522 . 12 1 1 A 44 44 THR C C 86 173.685 173.660 0.025 1
1 523 . 12 1 1 A 44 44 THR CA C 86 60.794 60.895 -0.101 1
1 524 . 12 1 1 A 44 44 THR CB C 86 71.046 70.250 0.796 1
1 526 . 12 1 1 A 44 44 THR N N 86 117.392 116.056 1.336 1
1 527 . 12 1 1 A 45 45 VAL H H 87 8.155 8.834 -0.679 1
1 528 . 12 1 1 A 45 45 VAL HA H 87 4.402 4.421 -0.019 1
1 536 . 12 1 1 A 45 45 VAL C C 87 174.343 174.946 -0.603 1
1 537 . 12 1 1 A 45 45 VAL CA C 87 60.551 61.286 -0.735 1
1 538 . 12 1 1 A 45 45 VAL CB C 87 35.225 33.578 1.647 1
1 541 . 12 1 1 A 45 45 VAL N N 87 123.105 126.499 -3.394 1
1 542 . 12 1 1 A 46 46 TRP H H 88 8.574 8.999 -0.425 1
1 543 . 12 1 1 A 46 46 TRP HA H 88 4.789 4.919 -0.130 1
1 552 . 12 1 1 A 46 46 TRP C C 88 175.287 176.405 -1.118 1
1 553 . 12 1 1 A 46 46 TRP CA C 88 57.716 56.908 0.808 1
1 554 . 12 1 1 A 46 46 TRP CB C 88 30.822 30.955 -0.133 1
1 560 . 12 1 1 A 46 46 TRP N N 88 126.326 127.675 -1.349 1
1 562 . 12 1 1 A 47 47 VAL H H 89 9.550 8.664 0.886 1
1 563 . 12 1 1 A 47 47 VAL HA H 89 4.884 4.946 -0.062 1
1 571 . 12 1 1 A 47 47 VAL C C 89 173.675 174.774 -1.099 1
1 572 . 12 1 1 A 47 47 VAL CA C 89 60.713 61.007 -0.294 1
1 573 . 12 1 1 A 47 47 VAL CB C 89 33.847 34.395 -0.548 1
1 576 . 12 1 1 A 47 47 VAL N N 89 123.380 121.807 1.573 1
1 577 . 12 1 1 A 48 48 LEU H H 90 8.757 9.066 -0.309 1
1 578 . 12 1 1 A 48 48 LEU HA H 90 5.181 4.806 0.375 1
1 588 . 12 1 1 A 48 48 LEU C C 90 175.118 175.113 0.005 1
1 589 . 12 1 1 A 48 48 LEU CA C 90 53.567 53.626 -0.059 1
1 590 . 12 1 1 A 48 48 LEU CB C 90 45.758 42.470 3.288 1
1 594 . 12 1 1 A 48 48 LEU N N 90 125.653 129.899 -4.246 1
1 595 . 12 1 1 A 49 49 TYR H H 91 9.355 8.839 0.516 1
1 596 . 12 1 1 A 49 49 TYR HA H 91 5.196 5.032 0.164 1
1 603 . 12 1 1 A 49 49 TYR C C 91 172.437 174.182 -1.745 1
1 604 . 12 1 1 A 49 49 TYR CA C 91 56.490 56.525 -0.035 1
1 605 . 12 1 1 A 49 49 TYR CB C 91 41.602 39.885 1.717 1
1 610 . 12 1 1 A 49 49 TYR N N 91 129.351 128.815 0.536 1
1 611 . 12 1 1 A 50 50 LYS H H 92 7.805 8.363 -0.558 1
1 612 . 12 1 1 A 50 50 LYS HA H 92 4.450 4.724 -0.274 1
1 621 . 12 1 1 A 50 50 LYS C C 92 173.949 175.915 -1.966 1
1 622 . 12 1 1 A 50 50 LYS CA C 92 55.264 54.901 0.363 1
1 623 . 12 1 1 A 50 50 LYS CB C 92 32.484 33.546 -1.062 1
1 627 . 12 1 1 A 50 50 LYS N N 92 127.571 126.861 0.710 1
1 628 . 12 1 1 A 51 51 GLY H H 93 7.147 7.971 -0.824 1
1 629 . 12 1 1 A 51 51 GLY HA2 H 93 3.810 3.891 -0.081 1
1 630 . 12 1 1 A 51 51 GLY HA3 H 93 3.609 4.022 -0.413 1
1 631 . 12 1 1 A 51 51 GLY C C 93 170.582 171.909 -1.327 1
1 632 . 12 1 1 A 51 51 GLY CA C 93 43.645 44.353 -0.708 1
1 633 . 12 1 1 A 51 51 GLY N N 93 111.723 109.634 2.089 1
1 634 . 12 1 1 A 52 52 ALA H H 94 8.185 8.164 0.021 1
1 635 . 12 1 1 A 52 52 ALA HA H 94 4.273 4.484 -0.211 1
1 639 . 12 1 1 A 52 52 ALA C C 94 178.775 176.891 1.884 1
1 640 . 12 1 1 A 52 52 ALA CA C 94 52.381 51.888 0.493 1
1 641 . 12 1 1 A 52 52 ALA CB C 94 18.392 19.034 -0.642 1
1 642 . 12 1 1 A 52 52 ALA N N 94 119.165 123.382 -4.217 1
1 643 . 12 1 1 A 53 53 VAL H H 95 8.967 8.628 0.339 1
1 644 . 12 1 1 A 53 53 VAL HA H 95 4.200 4.366 -0.166 1
1 652 . 12 1 1 A 53 53 VAL C C 95 174.416 174.876 -0.460 1
1 653 . 12 1 1 A 53 53 VAL CA C 95 60.028 60.271 -0.243 1
1 654 . 12 1 1 A 53 53 VAL CB C 95 32.712 31.925 0.787 1
1 657 . 12 1 1 A 53 53 VAL N N 95 127.597 124.596 3.001 1
1 658 . 12 1 1 A 54 54 PRO HA H 96 4.609 4.676 -0.067 1
1 665 . 12 1 1 A 54 54 PRO C C 96 177.752 176.720 1.032 1
1 666 . 12 1 1 A 54 54 PRO CA C 96 62.907 62.611 0.296 1
1 667 . 12 1 1 A 54 54 PRO CB C 96 32.850 32.792 0.058 1
1 670 . 12 1 1 A 55 55 ASP H H 97 9.047 8.743 0.304 1
1 671 . 12 1 1 A 55 55 ASP HA H 97 4.459 4.374 0.085 1
1 674 . 12 1 1 A 55 55 ASP C C 97 176.541 178.561 -2.020 1
1 675 . 12 1 1 A 55 55 ASP CA C 97 56.434 56.633 -0.199 1
1 676 . 12 1 1 A 55 55 ASP CB C 97 39.845 40.326 -0.481 1
1 677 . 12 1 1 A 55 55 ASP N N 97 122.223 121.869 0.354 1
1 678 . 12 1 1 A 56 56 THR H H 98 7.196 7.628 -0.432 1
1 679 . 12 1 1 A 56 56 THR HA H 98 4.105 4.256 -0.151 1
1 684 . 12 1 1 A 56 56 THR C C 98 174.743 175.006 -0.263 1
1 685 . 12 1 1 A 56 56 THR CA C 98 60.857 64.433 -3.576 1
1 686 . 12 1 1 A 56 56 THR CB C 98 69.227 68.925 0.302 1
1 688 . 12 1 1 A 56 56 THR N N 98 105.196 110.125 -4.929 1
1 689 . 12 1 1 A 57 57 PHE H H 99 7.766 7.776 -0.010 1
1 690 . 12 1 1 A 57 57 PHE HA H 99 3.752 4.389 -0.637 1
1 698 . 12 1 1 A 57 57 PHE C C 99 172.629 174.450 -1.821 1
1 699 . 12 1 1 A 57 57 PHE CA C 99 60.570 58.870 1.700 1
1 700 . 12 1 1 A 57 57 PHE CB C 99 40.156 39.350 0.806 1
1 706 . 12 1 1 A 57 57 PHE N N 99 122.514 124.122 -1.608 1
1 707 . 12 1 1 A 58 58 LYS H H 100 6.468 8.365 -1.897 1
1 708 . 12 1 1 A 58 58 LYS HA H 100 4.409 4.860 -0.451 1
1 717 . 12 1 1 A 58 58 LYS C C 100 171.564 173.488 -1.924 1
1 718 . 12 1 1 A 58 58 LYS CA C 100 53.643 53.411 0.232 1
1 719 . 12 1 1 A 58 58 LYS CB C 100 32.382 35.547 -3.165 1
1 723 . 12 1 1 A 58 58 LYS N N 100 125.478 122.996 2.482 1
1 724 . 12 1 1 A 59 59 PRO HA H 101 3.708 4.125 -0.417 1
1 731 . 12 1 1 A 59 59 PRO C C 101 176.868 177.413 -0.545 1
1 732 . 12 1 1 A 59 59 PRO CA C 101 63.881 63.521 0.360 1
1 733 . 12 1 1 A 59 59 PRO CB C 101 31.168 31.224 -0.056 1
1 736 . 12 1 1 A 60 60 GLY H H 102 9.269 8.370 0.899 1
1 737 . 12 1 1 A 60 60 GLY HA2 H 102 4.299 3.868 0.431 1
1 738 . 12 1 1 A 60 60 GLY HA3 H 102 3.502 3.873 -0.371 1
1 739 . 12 1 1 A 60 60 GLY C C 102 174.023 174.614 -0.591 1
1 740 . 12 1 1 A 60 60 GLY CA C 102 45.005 45.013 -0.008 1
1 741 . 12 1 1 A 60 60 GLY N N 102 112.023 112.731 -0.708 1
1 742 . 12 1 1 A 61 61 VAL H H 103 7.321 7.545 -0.224 1
1 743 . 12 1 1 A 61 61 VAL HA H 103 4.279 4.031 0.248 1
1 751 . 12 1 1 A 61 61 VAL C C 103 174.073 174.869 -0.796 1
1 752 . 12 1 1 A 61 61 VAL CA C 103 61.277 61.958 -0.681 1
1 753 . 12 1 1 A 61 61 VAL CB C 103 32.882 32.379 0.503 1
1 756 . 12 1 1 A 61 61 VAL N N 103 118.571 122.056 -3.485 1
1 757 . 12 1 1 A 62 62 GLU H H 104 8.204 8.731 -0.527 1
1 758 . 12 1 1 A 62 62 GLU HA H 104 4.946 4.566 0.380 1
1 763 . 12 1 1 A 62 62 GLU C C 104 176.252 176.307 -0.055 1
1 764 . 12 1 1 A 62 62 GLU CA C 104 55.398 56.435 -1.037 1
1 765 . 12 1 1 A 62 62 GLU CB C 104 30.129 30.763 -0.634 1
1 767 . 12 1 1 A 62 62 GLU N N 104 123.214 128.489 -5.275 1
1 768 . 12 1 1 A 63 63 VAL H H 105 9.066 8.824 0.242 1
1 769 . 12 1 1 A 63 63 VAL HA H 105 5.297 4.985 0.312 1
1 777 . 12 1 1 A 63 63 VAL C C 105 173.913 174.518 -0.605 1
1 778 . 12 1 1 A 63 63 VAL CA C 105 58.284 59.019 -0.735 1
1 779 . 12 1 1 A 63 63 VAL CB C 105 36.265 35.893 0.372 1
1 782 . 12 1 1 A 63 63 VAL N N 105 115.526 119.373 -3.847 1
1 783 . 12 1 1 A 64 64 ILE H H 106 8.542 8.865 -0.323 1
1 784 . 12 1 1 A 64 64 ILE HA H 106 4.775 4.473 0.302 1
1 794 . 12 1 1 A 64 64 ILE C C 106 176.511 175.305 1.206 1
1 795 . 12 1 1 A 64 64 ILE CA C 106 60.804 59.960 0.844 1
1 796 . 12 1 1 A 64 64 ILE CB C 106 40.991 40.030 0.961 1
1 800 . 12 1 1 A 64 64 ILE N N 106 120.283 122.065 -1.782 1
1 801 . 12 1 1 A 65 65 ILE H H 107 8.944 8.711 0.233 1
1 802 . 12 1 1 A 65 65 ILE HA H 107 5.197 5.118 0.079 1
1 812 . 12 1 1 A 65 65 ILE C C 107 174.076 174.358 -0.282 1
1 813 . 12 1 1 A 65 65 ILE CA C 107 58.384 58.748 -0.364 1
1 814 . 12 1 1 A 65 65 ILE CB C 107 42.082 40.495 1.587 1
1 818 . 12 1 1 A 65 65 ILE N N 107 122.157 123.115 -0.958 1
1 819 . 12 1 1 A 66 66 GLU H H 108 7.762 8.822 -1.060 1
1 820 . 12 1 1 A 66 66 GLU HA H 108 5.801 5.657 0.144 1
1 825 . 12 1 1 A 66 66 GLU C C 108 176.789 175.478 1.311 1
1 826 . 12 1 1 A 66 66 GLU CA C 108 54.063 55.355 -1.292 1
1 827 . 12 1 1 A 66 66 GLU CB C 108 32.818 33.953 -1.135 1
1 829 . 12 1 1 A 66 66 GLU N N 108 119.473 123.483 -4.010 1
1 830 . 12 1 1 A 67 67 GLY H H 109 9.064 8.515 0.549 1
1 831 . 12 1 1 A 67 67 GLY HA2 H 109 4.773 4.058 0.715 1
1 832 . 12 1 1 A 67 67 GLY HA3 H 109 3.948 4.249 -0.301 1
1 833 . 12 1 1 A 67 67 GLY C C 109 170.431 172.216 -1.785 1
1 834 . 12 1 1 A 67 67 GLY CA C 109 46.598 45.934 0.664 1
1 835 . 12 1 1 A 67 67 GLY N N 109 112.366 111.784 0.582 1
1 836 . 12 1 1 A 68 68 GLY H H 110 7.116 7.851 -0.735 1
1 837 . 12 1 1 A 68 68 GLY HA2 H 110 3.949 4.249 -0.300 1
1 838 . 12 1 1 A 68 68 GLY HA3 H 110 3.732 4.359 -0.627 1
1 839 . 12 1 1 A 68 68 GLY C C 110 170.827 171.613 -0.786 1
1 840 . 12 1 1 A 68 68 GLY CA C 110 45.228 45.402 -0.174 1
1 841 . 12 1 1 A 68 68 GLY N N 110 109.402 110.853 -1.451 1
1 842 . 12 1 1 A 69 69 LEU H H 111 8.542 8.919 -0.377 1
1 843 . 12 1 1 A 69 69 LEU HA H 111 4.546 5.154 -0.608 1
1 853 . 12 1 1 A 69 69 LEU C C 111 175.890 175.467 0.423 1
1 854 . 12 1 1 A 69 69 LEU CA C 111 54.400 53.895 0.505 1
1 855 . 12 1 1 A 69 69 LEU CB C 111 43.814 44.905 -1.091 1
1 859 . 12 1 1 A 69 69 LEU N N 111 122.808 124.257 -1.449 1
1 860 . 12 1 1 A 70 70 ALA H H 112 8.889 8.516 0.373 1
1 861 . 12 1 1 A 70 70 ALA HA H 112 4.639 4.516 0.123 1
1 865 . 12 1 1 A 70 70 ALA C C 112 174.900 177.523 -2.623 1
1 866 . 12 1 1 A 70 70 ALA CA C 112 49.951 50.515 -0.564 1
1 867 . 12 1 1 A 70 70 ALA CB C 112 18.111 19.003 -0.892 1
1 868 . 12 1 1 A 70 70 ALA N N 112 130.675 128.746 1.929 1
1 869 . 12 1 1 A 71 71 PRO HA H 113 4.338 4.306 0.032 1
1 876 . 12 1 1 A 71 71 PRO C C 113 178.206 177.835 0.371 1
1 877 . 12 1 1 A 71 71 PRO CA C 113 64.055 64.857 -0.802 1
1 878 . 12 1 1 A 71 71 PRO CB C 113 31.754 31.742 0.012 1
1 881 . 12 1 1 A 72 72 GLY H H 114 8.748 8.510 0.238 1
1 882 . 12 1 1 A 72 72 GLY HA2 H 114 4.165 3.958 0.207 1
1 883 . 12 1 1 A 72 72 GLY HA3 H 114 3.775 3.962 -0.187 1
1 884 . 12 1 1 A 72 72 GLY C C 114 174.200 173.879 0.321 1
1 885 . 12 1 1 A 72 72 GLY CA C 114 45.602 45.304 0.298 1
1 886 . 12 1 1 A 72 72 GLY N N 114 111.945 107.692 4.253 1
1 887 . 12 1 1 A 73 73 GLU H H 115 7.931 7.548 0.383 1
1 888 . 12 1 1 A 73 73 GLU HA H 115 4.581 4.687 -0.106 1
1 893 . 12 1 1 A 73 73 GLU C C 115 175.843 175.721 0.122 1
1 894 . 12 1 1 A 73 73 GLU CA C 115 55.732 54.561 1.171 1
1 895 . 12 1 1 A 73 73 GLU CB C 115 31.128 32.266 -1.138 1
1 897 . 12 1 1 A 73 73 GLU N N 115 118.591 119.677 -1.086 1
1 898 . 12 1 1 A 74 74 ASP H H 116 8.467 8.637 -0.170 1
1 899 . 12 1 1 A 74 74 ASP HA H 116 4.823 4.776 0.047 1
1 902 . 12 1 1 A 74 74 ASP C C 116 175.848 176.162 -0.314 1
1 903 . 12 1 1 A 74 74 ASP CA C 116 53.831 56.492 -2.661 1
1 904 . 12 1 1 A 74 74 ASP CB C 116 41.052 42.426 -1.374 1
1 905 . 12 1 1 A 74 74 ASP N N 116 118.021 120.624 -2.603 1
1 906 . 12 1 1 A 75 75 THR H H 117 7.301 7.764 -0.463 1
1 907 . 12 1 1 A 75 75 THR HA H 117 4.620 5.093 -0.473 1
1 912 . 12 1 1 A 75 75 THR C C 117 172.120 173.707 -1.587 1
1 913 . 12 1 1 A 75 75 THR CA C 117 61.907 61.547 0.360 1
1 914 . 12 1 1 A 75 75 THR CB C 117 71.398 69.811 1.587 1
1 916 . 12 1 1 A 75 75 THR N N 117 114.820 113.656 1.164 1
1 917 . 12 1 1 A 76 76 PHE H H 118 9.657 9.074 0.583 1
1 918 . 12 1 1 A 76 76 PHE HA H 118 4.290 4.647 -0.357 1
1 926 . 12 1 1 A 76 76 PHE C C 118 174.118 174.094 0.024 1
1 927 . 12 1 1 A 76 76 PHE CA C 118 58.185 57.350 0.835 1
1 928 . 12 1 1 A 76 76 PHE CB C 118 40.718 39.645 1.073 1
1 934 . 12 1 1 A 76 76 PHE N N 118 130.378 129.400 0.978 1
1 935 . 12 1 1 A 77 77 LYS H H 119 8.364 8.191 0.173 1
1 936 . 12 1 1 A 77 77 LYS HA H 119 4.853 4.779 0.074 1
1 945 . 12 1 1 A 77 77 LYS C C 119 175.278 174.933 0.345 1
1 946 . 12 1 1 A 77 77 LYS CA C 119 55.282 55.258 0.024 1
1 947 . 12 1 1 A 77 77 LYS CB C 119 31.319 32.371 -1.052 1
1 951 . 12 1 1 A 77 77 LYS N N 119 129.777 126.479 3.298 1
1 952 . 12 1 1 A 78 78 ALA H H 120 8.837 8.477 0.360 1
1 953 . 12 1 1 A 78 78 ALA HA H 120 4.828 4.367 0.461 1
1 957 . 12 1 1 A 78 78 ALA C C 120 176.015 178.566 -2.551 1
1 958 . 12 1 1 A 78 78 ALA CA C 120 51.435 51.861 -0.426 1
1 959 . 12 1 1 A 78 78 ALA CB C 120 20.006 18.910 1.096 1
1 960 . 12 1 1 A 78 78 ALA N N 120 129.771 129.197 0.574 1
1 961 . 12 1 1 A 79 79 ARG H H 121 9.846 8.409 1.437 1
1 962 . 12 1 1 A 79 79 ARG HA H 121 4.582 4.147 0.435 1
1 970 . 12 1 1 A 79 79 ARG C C 121 176.651 176.132 0.519 1
1 971 . 12 1 1 A 79 79 ARG CA C 121 57.420 57.957 -0.537 1
1 972 . 12 1 1 A 79 79 ARG CB C 121 31.773 30.197 1.576 1
1 975 . 12 1 1 A 79 79 ARG N N 121 125.113 123.225 1.888 1
1 977 . 12 1 1 A 80 80 THR H H 122 7.938 7.869 0.069 1
1 978 . 12 1 1 A 80 80 THR HA H 122 4.921 5.244 -0.323 1
1 983 . 12 1 1 A 80 80 THR C C 122 172.002 172.916 -0.914 1
1 984 . 12 1 1 A 80 80 THR CA C 122 60.475 60.253 0.222 1
1 985 . 12 1 1 A 80 80 THR CB C 122 72.093 72.025 0.068 1
1 987 . 12 1 1 A 80 80 THR N N 122 109.595 109.225 0.370 1
1 988 . 12 1 1 A 81 81 LEU H H 123 8.196 8.745 -0.549 1
1 989 . 12 1 1 A 81 81 LEU HA H 123 4.701 4.910 -0.209 1
1 999 . 12 1 1 A 81 81 LEU C C 123 173.804 174.107 -0.303 1
1 1000 . 12 1 1 A 81 81 LEU CA C 123 55.357 54.161 1.196 1
1 1001 . 12 1 1 A 81 81 LEU CB C 123 44.009 45.869 -1.860 1
1 1005 . 12 1 1 A 81 81 LEU N N 123 123.214 122.990 0.224 1
1 1006 . 12 1 1 A 82 82 MET H H 124 8.700 8.760 -0.060 1
1 1007 . 12 1 1 A 82 82 MET HA H 124 4.841 4.932 -0.091 1
1 1015 . 12 1 1 A 82 82 MET C C 124 175.097 175.081 0.016 1
1 1016 . 12 1 1 A 82 82 MET CA C 124 54.190 54.234 -0.044 1
1 1017 . 12 1 1 A 82 82 MET CB C 124 36.191 34.484 1.707 1
1 1020 . 12 1 1 A 82 82 MET N N 124 124.452 125.121 -0.669 1
1 1021 . 12 1 1 A 83 83 THR H H 125 8.671 8.771 -0.100 1
1 1022 . 12 1 1 A 83 83 THR HA H 125 4.934 4.354 0.580 1
1 1027 . 12 1 1 A 83 83 THR C C 125 174.094 175.388 -1.294 1
1 1028 . 12 1 1 A 83 83 THR CA C 125 60.253 61.742 -1.489 1
1 1029 . 12 1 1 A 83 83 THR CB C 125 69.831 69.335 0.496 1
1 1031 . 12 1 1 A 83 83 THR N N 125 113.070 117.331 -4.261 1
1 1032 . 12 1 1 A 84 84 LYS H H 126 8.419 8.839 -0.420 1
1 1033 . 12 1 1 A 84 84 LYS HA H 126 4.446 4.185 0.261 1
1 1042 . 12 1 1 A 84 84 LYS C C 126 175.461 176.870 -1.409 1
1 1043 . 12 1 1 A 84 84 LYS CA C 126 55.500 58.326 -2.826 1
1 1044 . 12 1 1 A 84 84 LYS CB C 126 33.736 32.715 1.021 1
1 1048 . 12 1 1 A 84 84 LYS N N 126 123.139 125.023 -1.884 1
1 1049 . 12 1 1 A 85 85 CYS H H 127 8.543 7.331 1.212 1
1 1050 . 12 1 1 A 85 85 CYS HA H 127 4.795 4.701 0.094 1
1 1053 . 12 1 1 A 85 85 CYS C C 127 172.809 173.326 -0.517 1
1 1054 . 12 1 1 A 85 85 CYS CA C 127 56.423 56.651 -0.228 1
1 1055 . 12 1 1 A 85 85 CYS CB C 127 27.739 28.542 -0.803 1
1 1056 . 12 1 1 A 85 85 CYS N N 127 123.709 119.023 4.686 1
1 1057 . 12 1 1 A 86 86 PRO HA H 128 4.439 4.811 -0.372 1
1 1064 . 12 1 1 A 86 86 PRO C C 128 176.560 176.236 0.324 1
1 1065 . 12 1 1 A 86 86 PRO CA C 128 63.292 62.257 1.035 1
1 1066 . 12 1 1 A 86 86 PRO CB C 128 32.165 31.419 0.746 1
1 1069 . 12 1 1 A 87 87 LEU H H 129 8.274 8.342 -0.068 1
1 1070 . 12 1 1 A 87 87 LEU HA H 129 4.256 4.529 -0.273 1
1 1080 . 12 1 1 A 87 87 LEU C C 129 177.141 176.874 0.267 1
1 1081 . 12 1 1 A 87 87 LEU CA C 129 55.281 54.282 0.999 1
1 1082 . 12 1 1 A 87 87 LEU CB C 129 42.299 42.596 -0.297 1
1 1086 . 12 1 1 A 87 87 LEU N N 129 122.188 124.131 -1.943 1
1 1 . 13 1 1 A 2 2 ALA HA H 44 4.214 4.819 -0.605 1
1 5 . 13 1 1 A 2 2 ALA C C 44 173.758 175.720 -1.962 1
1 6 . 13 1 1 A 2 2 ALA CA C 44 51.848 50.638 1.210 1
1 7 . 13 1 1 A 2 2 ALA CB C 44 19.505 21.701 -2.196 1
1 8 . 13 1 1 A 3 3 THR H H 45 8.709 8.837 -0.128 1
1 9 . 13 1 1 A 3 3 THR HA H 45 4.694 4.430 0.264 1
1 14 . 13 1 1 A 3 3 THR CA C 45 60.191 60.706 -0.515 1
1 15 . 13 1 1 A 3 3 THR CB C 45 69.815 69.180 0.635 1
1 17 . 13 1 1 A 3 3 THR N N 45 116.649 118.866 -2.217 1
1 18 . 13 1 1 A 4 4 PRO HA H 46 4.412 4.541 -0.129 1
1 25 . 13 1 1 A 4 4 PRO C C 46 177.212 176.225 0.987 1
1 26 . 13 1 1 A 4 4 PRO CA C 46 63.698 62.389 1.309 1
1 27 . 13 1 1 A 4 4 PRO CB C 46 32.117 33.052 -0.935 1
1 30 . 13 1 1 A 5 5 GLN H H 47 8.463 8.402 0.061 1
1 31 . 13 1 1 A 5 5 GLN HA H 47 4.260 4.362 -0.102 1
1 38 . 13 1 1 A 5 5 GLN C C 47 176.073 174.227 1.846 1
1 39 . 13 1 1 A 5 5 GLN CA C 47 56.328 55.255 1.073 1
1 40 . 13 1 1 A 5 5 GLN CB C 47 29.286 27.193 2.093 1
1 43 . 13 1 1 A 5 5 GLN N N 47 119.945 120.688 -0.743 1
1 45 . 13 1 1 A 6 6 ASP H H 48 8.276 8.089 0.187 1
1 46 . 13 1 1 A 6 6 ASP HA H 48 4.558 5.227 -0.669 1
1 49 . 13 1 1 A 6 6 ASP C C 48 176.454 176.242 0.212 1
1 50 . 13 1 1 A 6 6 ASP CA C 48 54.538 53.306 1.232 1
1 51 . 13 1 1 A 6 6 ASP CB C 48 40.873 44.102 -3.229 1
1 52 . 13 1 1 A 6 6 ASP N N 48 120.974 124.006 -3.032 1
1 53 . 13 1 1 A 7 7 LYS H H 49 8.218 8.673 -0.455 1
1 54 . 13 1 1 A 7 7 LYS HA H 49 4.264 4.204 0.060 1
1 63 . 13 1 1 A 7 7 LYS C C 49 176.665 177.351 -0.686 1
1 64 . 13 1 1 A 7 7 LYS CA C 49 56.655 59.008 -2.353 1
1 65 . 13 1 1 A 7 7 LYS CB C 49 32.837 32.779 0.058 1
1 69 . 13 1 1 A 7 7 LYS N N 49 120.950 124.150 -3.200 1
1 70 . 13 1 1 A 8 8 LEU H H 50 8.010 7.732 0.278 1
1 71 . 13 1 1 A 8 8 LEU HA H 50 4.279 4.799 -0.520 1
1 81 . 13 1 1 A 8 8 LEU C C 50 177.110 177.305 -0.195 1
1 82 . 13 1 1 A 8 8 LEU CA C 50 55.353 54.029 1.324 1
1 83 . 13 1 1 A 8 8 LEU CB C 50 42.302 42.278 0.024 1
1 87 . 13 1 1 A 8 8 LEU N N 50 121.105 116.411 4.694 1
1 88 . 13 1 1 A 9 9 HIS H H 51 8.411 7.783 0.628 1
1 89 . 13 1 1 A 9 9 HIS HA H 51 4.780 4.264 0.516 1
1 92 . 13 1 1 A 9 9 HIS C C 51 174.285 174.611 -0.326 1
1 93 . 13 1 1 A 9 9 HIS CA C 51 55.320 59.651 -4.331 1
1 94 . 13 1 1 A 9 9 HIS CB C 51 28.827 30.114 -1.287 1
1 95 . 13 1 1 A 9 9 HIS N N 51 119.035 119.349 -0.314 1
1 96 . 13 1 1 A 10 10 THR H H 52 8.178 8.070 0.108 1
1 97 . 13 1 1 A 10 10 THR HA H 52 4.488 4.788 -0.300 1
1 102 . 13 1 1 A 10 10 THR C C 52 173.766 173.152 0.614 1
1 103 . 13 1 1 A 10 10 THR CA C 52 62.392 59.963 2.429 1
1 104 . 13 1 1 A 10 10 THR CB C 52 70.104 71.877 -1.773 1
1 106 . 13 1 1 A 10 10 THR N N 52 117.285 108.959 8.326 1
1 107 . 13 1 1 A 11 11 VAL H H 53 9.088 8.977 0.111 1
1 108 . 13 1 1 A 11 11 VAL HA H 53 4.464 4.627 -0.163 1
1 116 . 13 1 1 A 11 11 VAL C C 53 174.048 174.401 -0.353 1
1 117 . 13 1 1 A 11 11 VAL CA C 53 61.359 61.547 -0.188 1
1 118 . 13 1 1 A 11 11 VAL CB C 53 34.602 32.658 1.944 1
1 121 . 13 1 1 A 11 11 VAL N N 53 123.969 123.670 0.299 1
1 122 . 13 1 1 A 12 12 ARG H H 54 8.386 9.230 -0.844 1
1 123 . 13 1 1 A 12 12 ARG HA H 54 5.495 5.035 0.460 1
1 131 . 13 1 1 A 12 12 ARG C C 54 175.364 174.482 0.882 1
1 132 . 13 1 1 A 12 12 ARG CA C 54 54.401 54.663 -0.262 1
1 133 . 13 1 1 A 12 12 ARG CB C 54 32.753 32.146 0.607 1
1 136 . 13 1 1 A 12 12 ARG N N 54 125.294 129.526 -4.232 1
1 138 . 13 1 1 A 13 13 LEU H H 55 8.828 8.906 -0.078 1
1 139 . 13 1 1 A 13 13 LEU HA H 55 4.726 5.155 -0.429 1
1 149 . 13 1 1 A 13 13 LEU C C 55 174.223 174.146 0.077 1
1 150 . 13 1 1 A 13 13 LEU CA C 55 53.309 52.952 0.357 1
1 151 . 13 1 1 A 13 13 LEU CB C 55 45.884 44.941 0.943 1
1 155 . 13 1 1 A 13 13 LEU N N 55 124.874 128.708 -3.834 1
1 156 . 13 1 1 A 14 14 PHE H H 56 8.195 9.104 -0.909 1
1 157 . 13 1 1 A 14 14 PHE HA H 56 5.576 5.442 0.134 1
1 165 . 13 1 1 A 14 14 PHE C C 56 175.266 175.706 -0.440 1
1 166 . 13 1 1 A 14 14 PHE CA C 56 55.009 55.694 -0.685 1
1 167 . 13 1 1 A 14 14 PHE CB C 56 42.340 41.967 0.373 1
1 173 . 13 1 1 A 14 14 PHE N N 56 118.334 125.159 -6.825 1
1 174 . 13 1 1 A 15 15 GLY H H 57 8.134 8.182 -0.048 1
1 175 . 13 1 1 A 15 15 GLY HA2 H 57 4.229 4.272 -0.043 1
1 176 . 13 1 1 A 15 15 GLY HA3 H 57 4.004 4.284 -0.280 1
1 177 . 13 1 1 A 15 15 GLY C C 57 171.108 171.449 -0.341 1
1 178 . 13 1 1 A 15 15 GLY CA C 57 45.857 46.274 -0.417 1
1 179 . 13 1 1 A 15 15 GLY N N 57 109.159 109.158 0.001 1
1 180 . 13 1 1 A 16 16 THR H H 58 8.595 8.406 0.189 1
1 181 . 13 1 1 A 16 16 THR HA H 58 5.114 5.022 0.092 1
1 186 . 13 1 1 A 16 16 THR C C 58 174.484 173.172 1.312 1
1 187 . 13 1 1 A 16 16 THR CA C 58 60.591 61.374 -0.783 1
1 188 . 13 1 1 A 16 16 THR CB C 58 71.164 72.393 -1.229 1
1 190 . 13 1 1 A 16 16 THR N N 58 113.580 115.231 -1.651 1
1 191 . 13 1 1 A 17 17 VAL H H 59 8.053 8.650 -0.597 1
1 192 . 13 1 1 A 17 17 VAL HA H 59 3.876 4.236 -0.360 1
1 200 . 13 1 1 A 17 17 VAL C C 59 176.315 175.961 0.354 1
1 201 . 13 1 1 A 17 17 VAL CA C 59 63.549 62.642 0.907 1
1 202 . 13 1 1 A 17 17 VAL CB C 59 32.779 31.704 1.075 1
1 205 . 13 1 1 A 17 17 VAL N N 59 124.410 126.780 -2.370 1
1 206 . 13 1 1 A 18 18 ALA H H 60 8.931 8.872 0.059 1
1 207 . 13 1 1 A 18 18 ALA HA H 60 4.354 4.328 0.026 1
1 211 . 13 1 1 A 18 18 ALA C C 60 177.293 177.835 -0.542 1
1 212 . 13 1 1 A 18 18 ALA CA C 60 52.138 52.205 -0.067 1
1 213 . 13 1 1 A 18 18 ALA CB C 60 19.782 19.254 0.528 1
1 214 . 13 1 1 A 18 18 ALA N N 60 133.912 130.730 3.182 1
1 215 . 13 1 1 A 19 19 ALA H H 61 8.548 8.708 -0.160 1
1 216 . 13 1 1 A 19 19 ALA HA H 61 4.105 4.194 -0.089 1
1 220 . 13 1 1 A 19 19 ALA C C 61 178.793 176.994 1.799 1
1 221 . 13 1 1 A 19 19 ALA CA C 61 54.218 54.559 -0.341 1
1 222 . 13 1 1 A 19 19 ALA CB C 61 18.969 19.056 -0.087 1
1 223 . 13 1 1 A 19 19 ALA N N 61 121.667 123.478 -1.811 1
1 224 . 13 1 1 A 20 20 ASP H H 62 8.117 8.173 -0.056 1
1 225 . 13 1 1 A 20 20 ASP HA H 62 4.602 4.453 0.149 1
1 228 . 13 1 1 A 20 20 ASP C C 62 177.210 176.775 0.435 1
1 229 . 13 1 1 A 20 20 ASP CA C 62 54.575 54.975 -0.400 1
1 230 . 13 1 1 A 20 20 ASP CB C 62 41.188 40.964 0.224 1
1 231 . 13 1 1 A 20 20 ASP N N 62 115.534 117.636 -2.102 1
1 232 . 13 1 1 A 21 21 GLY H H 63 8.996 8.873 0.123 1
1 233 . 13 1 1 A 21 21 GLY HA2 H 63 4.311 3.964 0.347 1
1 234 . 13 1 1 A 21 21 GLY HA3 H 63 3.888 4.167 -0.279 1
1 235 . 13 1 1 A 21 21 GLY C C 63 173.384 174.288 -0.904 1
1 236 . 13 1 1 A 21 21 GLY CA C 63 46.124 46.166 -0.042 1
1 237 . 13 1 1 A 21 21 GLY N N 63 112.754 113.635 -0.881 1
1 238 . 13 1 1 A 22 22 LEU H H 64 7.380 7.776 -0.396 1
1 239 . 13 1 1 A 22 22 LEU HA H 64 4.964 5.087 -0.123 1
1 249 . 13 1 1 A 22 22 LEU C C 64 178.011 175.255 2.756 1
1 250 . 13 1 1 A 22 22 LEU CA C 64 57.159 53.555 3.604 1
1 251 . 13 1 1 A 22 22 LEU CB C 64 42.160 45.036 -2.876 1
1 255 . 13 1 1 A 22 22 LEU N N 64 123.991 121.718 2.273 1
1 256 . 13 1 1 A 23 23 THR H H 65 9.752 9.325 0.427 1
1 257 . 13 1 1 A 23 23 THR HA H 65 4.755 4.851 -0.096 1
1 262 . 13 1 1 A 23 23 THR C C 65 173.249 173.404 -0.155 1
1 263 . 13 1 1 A 23 23 THR CA C 65 61.231 61.282 -0.051 1
1 264 . 13 1 1 A 23 23 THR CB C 65 71.995 72.418 -0.423 1
1 266 . 13 1 1 A 23 23 THR N N 65 124.024 122.548 1.476 1
1 267 . 13 1 1 A 24 24 MET H H 66 8.881 8.640 0.241 1
1 268 . 13 1 1 A 24 24 MET HA H 66 5.019 4.760 0.259 1
1 276 . 13 1 1 A 24 24 MET C C 66 176.750 176.845 -0.095 1
1 277 . 13 1 1 A 24 24 MET CA C 66 54.452 54.851 -0.399 1
1 278 . 13 1 1 A 24 24 MET CB C 66 31.809 33.418 -1.609 1
1 281 . 13 1 1 A 24 24 MET N N 66 125.215 123.988 1.227 1
1 282 . 13 1 1 A 25 25 LEU H H 67 8.037 8.045 -0.008 1
1 283 . 13 1 1 A 25 25 LEU HA H 67 4.253 4.224 0.029 1
1 293 . 13 1 1 A 25 25 LEU C C 67 176.617 176.561 0.056 1
1 294 . 13 1 1 A 25 25 LEU CA C 67 55.259 55.182 0.077 1
1 295 . 13 1 1 A 25 25 LEU CB C 67 41.019 42.460 -1.441 1
1 299 . 13 1 1 A 25 25 LEU N N 67 123.282 122.088 1.194 1
1 300 . 13 1 1 A 26 26 ASP H H 68 8.419 8.617 -0.198 1
1 301 . 13 1 1 A 26 26 ASP HA H 68 4.695 4.761 -0.066 1
1 304 . 13 1 1 A 26 26 ASP C C 68 176.728 176.696 0.032 1
1 305 . 13 1 1 A 26 26 ASP CA C 68 53.907 54.918 -1.011 1
1 306 . 13 1 1 A 26 26 ASP CB C 68 41.338 40.431 0.907 1
1 307 . 13 1 1 A 26 26 ASP N N 68 120.434 122.169 -1.735 1
1 308 . 13 1 1 A 27 27 GLY H H 69 8.607 8.765 -0.158 1
1 309 . 13 1 1 A 27 27 GLY HA2 H 69 4.055 3.898 0.157 1
1 310 . 13 1 1 A 27 27 GLY HA3 H 69 3.665 3.901 -0.236 1
1 311 . 13 1 1 A 27 27 GLY C C 69 173.151 173.456 -0.305 1
1 312 . 13 1 1 A 27 27 GLY CA C 69 45.895 46.367 -0.472 1
1 313 . 13 1 1 A 27 27 GLY N N 69 112.545 111.962 0.583 1
1 314 . 13 1 1 A 28 28 ALA H H 70 7.634 7.552 0.082 1
1 315 . 13 1 1 A 28 28 ALA HA H 70 4.575 4.727 -0.152 1
1 319 . 13 1 1 A 28 28 ALA C C 70 174.090 174.144 -0.054 1
1 320 . 13 1 1 A 28 28 ALA CA C 70 50.137 50.189 -0.052 1
1 321 . 13 1 1 A 28 28 ALA CB C 70 19.221 21.849 -2.628 1
1 322 . 13 1 1 A 28 28 ALA N N 70 125.545 120.929 4.616 1
1 323 . 13 1 1 A 29 29 PRO HA H 71 4.462 4.626 -0.164 1
1 330 . 13 1 1 A 29 29 PRO C C 71 176.671 176.115 0.556 1
1 331 . 13 1 1 A 29 29 PRO CA C 71 63.021 63.418 -0.397 1
1 332 . 13 1 1 A 29 29 PRO CB C 71 32.015 31.540 0.475 1
1 335 . 13 1 1 A 30 30 GLY H H 72 7.988 8.151 -0.163 1
1 336 . 13 1 1 A 30 30 GLY HA2 H 72 5.001 3.965 1.036 1
1 337 . 13 1 1 A 30 30 GLY HA3 H 72 3.991 4.003 -0.012 1
1 338 . 13 1 1 A 30 30 GLY C C 72 172.906 171.227 1.679 1
1 339 . 13 1 1 A 30 30 GLY CA C 72 45.642 44.443 1.199 1
1 340 . 13 1 1 A 30 30 GLY N N 72 109.355 109.813 -0.458 1
1 341 . 13 1 1 A 31 31 VAL H H 73 9.332 8.544 0.788 1
1 342 . 13 1 1 A 31 31 VAL HA H 73 5.194 4.905 0.289 1
1 350 . 13 1 1 A 31 31 VAL C C 73 171.443 173.290 -1.847 1
1 351 . 13 1 1 A 31 31 VAL CA C 73 60.233 59.942 0.291 1
1 352 . 13 1 1 A 31 31 VAL CB C 73 35.471 35.318 0.153 1
1 355 . 13 1 1 A 31 31 VAL N N 73 116.539 119.584 -3.045 1
1 356 . 13 1 1 A 32 32 ARG H H 74 8.956 9.125 -0.169 1
1 357 . 13 1 1 A 32 32 ARG HA H 74 5.999 5.538 0.461 1
1 365 . 13 1 1 A 32 32 ARG C C 74 174.581 175.686 -1.105 1
1 366 . 13 1 1 A 32 32 ARG CA C 74 54.187 55.042 -0.855 1
1 367 . 13 1 1 A 32 32 ARG CB C 74 33.463 31.584 1.879 1
1 370 . 13 1 1 A 32 32 ARG N N 74 127.557 130.039 -2.482 1
1 372 . 13 1 1 A 33 33 PHE H H 75 9.262 8.636 0.626 1
1 373 . 13 1 1 A 33 33 PHE HA H 75 5.461 5.468 -0.007 1
1 381 . 13 1 1 A 33 33 PHE C C 75 171.210 172.379 -1.169 1
1 382 . 13 1 1 A 33 33 PHE CA C 75 55.947 56.000 -0.053 1
1 383 . 13 1 1 A 33 33 PHE CB C 75 41.151 41.656 -0.505 1
1 389 . 13 1 1 A 33 33 PHE N N 75 120.514 121.577 -1.063 1
1 390 . 13 1 1 A 34 34 ARG H H 76 9.921 8.637 1.284 1
1 391 . 13 1 1 A 34 34 ARG HA H 76 4.368 4.577 -0.209 1
1 399 . 13 1 1 A 34 34 ARG C C 76 173.994 174.402 -0.408 1
1 400 . 13 1 1 A 34 34 ARG CA C 76 54.594 55.800 -1.206 1
1 401 . 13 1 1 A 34 34 ARG CB C 76 31.539 30.952 0.587 1
1 404 . 13 1 1 A 34 34 ARG N N 76 122.011 119.601 2.410 1
1 406 . 13 1 1 A 35 35 LEU H H 77 8.781 9.070 -0.289 1
1 407 . 13 1 1 A 35 35 LEU HA H 77 4.755 5.047 -0.292 1
1 417 . 13 1 1 A 35 35 LEU C C 77 176.305 175.029 1.276 1
1 418 . 13 1 1 A 35 35 LEU CA C 77 53.188 53.887 -0.699 1
1 419 . 13 1 1 A 35 35 LEU CB C 77 44.689 44.111 0.578 1
1 423 . 13 1 1 A 35 35 LEU N N 77 127.038 127.209 -0.171 1
1 424 . 13 1 1 A 36 36 GLU H H 78 9.342 8.917 0.425 1
1 425 . 13 1 1 A 36 36 GLU HA H 78 4.531 4.600 -0.069 1
1 430 . 13 1 1 A 36 36 GLU C C 78 175.380 175.823 -0.443 1
1 431 . 13 1 1 A 36 36 GLU CA C 78 54.829 56.328 -1.499 1
1 432 . 13 1 1 A 36 36 GLU CB C 78 29.842 30.306 -0.464 1
1 434 . 13 1 1 A 36 36 GLU N N 78 126.891 126.682 0.209 1
1 435 . 13 1 1 A 37 37 ASP H H 79 8.418 8.625 -0.207 1
1 436 . 13 1 1 A 37 37 ASP HA H 79 4.630 4.552 0.078 1
1 439 . 13 1 1 A 37 37 ASP C C 79 176.623 177.497 -0.874 1
1 440 . 13 1 1 A 37 37 ASP CA C 79 53.996 54.618 -0.622 1
1 441 . 13 1 1 A 37 37 ASP CB C 79 41.401 42.586 -1.185 1
1 442 . 13 1 1 A 37 37 ASP N N 79 125.084 125.628 -0.544 1
1 443 . 13 1 1 A 38 38 LYS H H 80 8.691 8.885 -0.194 1
1 444 . 13 1 1 A 38 38 LYS HA H 80 4.064 3.916 0.148 1
1 453 . 13 1 1 A 38 38 LYS C C 80 176.779 178.554 -1.775 1
1 454 . 13 1 1 A 38 38 LYS CA C 80 57.994 59.565 -1.571 1
1 455 . 13 1 1 A 38 38 LYS CB C 80 32.404 32.225 0.179 1
1 459 . 13 1 1 A 38 38 LYS N N 80 124.179 126.008 -1.829 1
1 460 . 13 1 1 A 39 39 ASP H H 81 8.355 7.507 0.848 1
1 461 . 13 1 1 A 39 39 ASP HA H 81 4.591 4.503 0.088 1
1 464 . 13 1 1 A 39 39 ASP C C 81 175.682 176.378 -0.696 1
1 465 . 13 1 1 A 39 39 ASP CA C 81 54.888 56.330 -1.442 1
1 466 . 13 1 1 A 39 39 ASP CB C 81 41.040 41.614 -0.574 1
1 467 . 13 1 1 A 39 39 ASP N N 81 117.392 119.131 -1.739 1
1 468 . 13 1 1 A 40 40 ASN H H 82 7.954 7.733 0.221 1
1 469 . 13 1 1 A 40 40 ASN HA H 82 4.785 4.939 -0.154 1
1 474 . 13 1 1 A 40 40 ASN C C 82 175.435 175.383 0.052 1
1 475 . 13 1 1 A 40 40 ASN CA C 82 53.032 51.695 1.337 1
1 476 . 13 1 1 A 40 40 ASN CB C 82 38.471 38.575 -0.104 1
1 478 . 13 1 1 A 40 40 ASN N N 82 117.785 117.236 0.549 1
1 480 . 13 1 1 A 41 41 THR H H 83 8.518 8.750 -0.232 1
1 481 . 13 1 1 A 41 41 THR HA H 83 4.243 4.426 -0.183 1
1 486 . 13 1 1 A 41 41 THR C C 83 175.191 175.609 -0.418 1
1 487 . 13 1 1 A 41 41 THR CA C 83 63.584 63.208 0.376 1
1 488 . 13 1 1 A 41 41 THR CB C 83 69.267 68.959 0.308 1
1 490 . 13 1 1 A 41 41 THR N N 83 114.265 120.388 -6.123 1
1 491 . 13 1 1 A 42 42 SER H H 84 8.179 7.834 0.345 1
1 492 . 13 1 1 A 42 42 SER HA H 84 4.439 4.722 -0.283 1
1 495 . 13 1 1 A 42 42 SER C C 84 174.269 174.122 0.147 1
1 496 . 13 1 1 A 42 42 SER CA C 84 59.222 58.509 0.713 1
1 497 . 13 1 1 A 42 42 SER CB C 84 63.627 63.865 -0.238 1
1 498 . 13 1 1 A 42 42 SER N N 84 115.576 116.267 -0.691 1
1 499 . 13 1 1 A 43 43 LYS H H 85 7.911 7.390 0.521 1
1 500 . 13 1 1 A 43 43 LYS HA H 85 4.460 4.803 -0.343 1
1 509 . 13 1 1 A 43 43 LYS C C 85 175.440 174.276 1.164 1
1 510 . 13 1 1 A 43 43 LYS CA C 85 55.961 56.020 -0.059 1
1 511 . 13 1 1 A 43 43 LYS CB C 85 33.032 35.992 -2.960 1
1 515 . 13 1 1 A 43 43 LYS N N 85 123.691 120.767 2.924 1
1 516 . 13 1 1 A 44 44 THR H H 86 8.165 8.811 -0.646 1
1 517 . 13 1 1 A 44 44 THR HA H 86 4.904 5.654 -0.750 1
1 522 . 13 1 1 A 44 44 THR C C 86 173.685 173.346 0.339 1
1 523 . 13 1 1 A 44 44 THR CA C 86 60.794 60.047 0.747 1
1 524 . 13 1 1 A 44 44 THR CB C 86 71.046 71.139 -0.093 1
1 526 . 13 1 1 A 44 44 THR N N 86 117.392 116.391 1.001 1
1 527 . 13 1 1 A 45 45 VAL H H 87 8.155 8.665 -0.510 1
1 528 . 13 1 1 A 45 45 VAL HA H 87 4.402 4.428 -0.026 1
1 536 . 13 1 1 A 45 45 VAL C C 87 174.343 175.446 -1.103 1
1 537 . 13 1 1 A 45 45 VAL CA C 87 60.551 61.114 -0.563 1
1 538 . 13 1 1 A 45 45 VAL CB C 87 35.225 33.753 1.472 1
1 541 . 13 1 1 A 45 45 VAL N N 87 123.105 124.516 -1.411 1
1 542 . 13 1 1 A 46 46 TRP H H 88 8.574 8.237 0.337 1
1 543 . 13 1 1 A 46 46 TRP HA H 88 4.789 4.947 -0.158 1
1 552 . 13 1 1 A 46 46 TRP C C 88 175.287 176.773 -1.486 1
1 553 . 13 1 1 A 46 46 TRP CA C 88 57.716 57.371 0.345 1
1 554 . 13 1 1 A 46 46 TRP CB C 88 30.822 30.922 -0.100 1
1 560 . 13 1 1 A 46 46 TRP N N 88 126.326 127.326 -1.000 1
1 562 . 13 1 1 A 47 47 VAL H H 89 9.550 8.543 1.007 1
1 563 . 13 1 1 A 47 47 VAL HA H 89 4.884 4.744 0.140 1
1 571 . 13 1 1 A 47 47 VAL C C 89 173.675 174.523 -0.848 1
1 572 . 13 1 1 A 47 47 VAL CA C 89 60.713 60.914 -0.201 1
1 573 . 13 1 1 A 47 47 VAL CB C 89 33.847 34.254 -0.407 1
1 576 . 13 1 1 A 47 47 VAL N N 89 123.380 121.337 2.043 1
1 577 . 13 1 1 A 48 48 LEU H H 90 8.757 9.053 -0.296 1
1 578 . 13 1 1 A 48 48 LEU HA H 90 5.181 4.832 0.349 1
1 588 . 13 1 1 A 48 48 LEU C C 90 175.118 174.969 0.149 1
1 589 . 13 1 1 A 48 48 LEU CA C 90 53.567 53.643 -0.076 1
1 590 . 13 1 1 A 48 48 LEU CB C 90 45.758 42.839 2.919 1
1 594 . 13 1 1 A 48 48 LEU N N 90 125.653 130.199 -4.546 1
1 595 . 13 1 1 A 49 49 TYR H H 91 9.355 8.949 0.406 1
1 596 . 13 1 1 A 49 49 TYR HA H 91 5.196 5.247 -0.051 1
1 603 . 13 1 1 A 49 49 TYR C C 91 172.437 174.289 -1.852 1
1 604 . 13 1 1 A 49 49 TYR CA C 91 56.490 56.737 -0.247 1
1 605 . 13 1 1 A 49 49 TYR CB C 91 41.602 39.895 1.707 1
1 610 . 13 1 1 A 49 49 TYR N N 91 129.351 128.783 0.568 1
1 611 . 13 1 1 A 50 50 LYS H H 92 7.805 7.960 -0.155 1
1 612 . 13 1 1 A 50 50 LYS HA H 92 4.450 4.931 -0.481 1
1 621 . 13 1 1 A 50 50 LYS C C 92 173.949 175.586 -1.637 1
1 622 . 13 1 1 A 50 50 LYS CA C 92 55.264 54.649 0.615 1
1 623 . 13 1 1 A 50 50 LYS CB C 92 32.484 34.331 -1.847 1
1 627 . 13 1 1 A 50 50 LYS N N 92 127.571 126.507 1.064 1
1 628 . 13 1 1 A 51 51 GLY H H 93 7.147 7.946 -0.799 1
1 629 . 13 1 1 A 51 51 GLY HA2 H 93 3.810 3.848 -0.038 1
1 630 . 13 1 1 A 51 51 GLY HA3 H 93 3.609 3.973 -0.364 1
1 631 . 13 1 1 A 51 51 GLY C C 93 170.582 172.185 -1.603 1
1 632 . 13 1 1 A 51 51 GLY CA C 93 43.645 44.072 -0.427 1
1 633 . 13 1 1 A 51 51 GLY N N 93 111.723 108.957 2.766 1
1 634 . 13 1 1 A 52 52 ALA H H 94 8.185 8.184 0.001 1
1 635 . 13 1 1 A 52 52 ALA HA H 94 4.273 4.406 -0.133 1
1 639 . 13 1 1 A 52 52 ALA C C 94 178.775 177.086 1.689 1
1 640 . 13 1 1 A 52 52 ALA CA C 94 52.381 52.263 0.118 1
1 641 . 13 1 1 A 52 52 ALA CB C 94 18.392 18.822 -0.430 1
1 642 . 13 1 1 A 52 52 ALA N N 94 119.165 123.071 -3.906 1
1 643 . 13 1 1 A 53 53 VAL H H 95 8.967 8.648 0.319 1
1 644 . 13 1 1 A 53 53 VAL HA H 95 4.200 4.440 -0.240 1
1 652 . 13 1 1 A 53 53 VAL C C 95 174.416 174.826 -0.410 1
1 653 . 13 1 1 A 53 53 VAL CA C 95 60.028 59.972 0.056 1
1 654 . 13 1 1 A 53 53 VAL CB C 95 32.712 31.979 0.733 1
1 657 . 13 1 1 A 53 53 VAL N N 95 127.597 124.520 3.077 1
1 658 . 13 1 1 A 54 54 PRO HA H 96 4.609 4.575 0.034 1
1 665 . 13 1 1 A 54 54 PRO C C 96 177.752 176.790 0.962 1
1 666 . 13 1 1 A 54 54 PRO CA C 96 62.907 62.813 0.094 1
1 667 . 13 1 1 A 54 54 PRO CB C 96 32.850 32.752 0.098 1
1 670 . 13 1 1 A 55 55 ASP H H 97 9.047 8.693 0.354 1
1 671 . 13 1 1 A 55 55 ASP HA H 97 4.459 4.366 0.093 1
1 674 . 13 1 1 A 55 55 ASP C C 97 176.541 178.016 -1.475 1
1 675 . 13 1 1 A 55 55 ASP CA C 97 56.434 56.709 -0.275 1
1 676 . 13 1 1 A 55 55 ASP CB C 97 39.845 40.422 -0.577 1
1 677 . 13 1 1 A 55 55 ASP N N 97 122.223 121.939 0.284 1
1 678 . 13 1 1 A 56 56 THR H H 98 7.196 7.909 -0.713 1
1 679 . 13 1 1 A 56 56 THR HA H 98 4.105 4.198 -0.093 1
1 684 . 13 1 1 A 56 56 THR C C 98 174.743 174.358 0.385 1
1 685 . 13 1 1 A 56 56 THR CA C 98 60.857 63.997 -3.140 1
1 686 . 13 1 1 A 56 56 THR CB C 98 69.227 68.935 0.292 1
1 688 . 13 1 1 A 56 56 THR N N 98 105.196 114.976 -9.780 1
1 689 . 13 1 1 A 57 57 PHE H H 99 7.766 7.763 0.003 1
1 690 . 13 1 1 A 57 57 PHE HA H 99 3.752 4.571 -0.819 1
1 698 . 13 1 1 A 57 57 PHE C C 99 172.629 174.204 -1.575 1
1 699 . 13 1 1 A 57 57 PHE CA C 99 60.570 57.552 3.018 1
1 700 . 13 1 1 A 57 57 PHE CB C 99 40.156 39.077 1.079 1
1 706 . 13 1 1 A 57 57 PHE N N 99 122.514 122.968 -0.454 1
1 707 . 13 1 1 A 58 58 LYS H H 100 6.468 8.357 -1.889 1
1 708 . 13 1 1 A 58 58 LYS HA H 100 4.409 4.792 -0.383 1
1 717 . 13 1 1 A 58 58 LYS C C 100 171.564 173.218 -1.654 1
1 718 . 13 1 1 A 58 58 LYS CA C 100 53.643 53.397 0.246 1
1 719 . 13 1 1 A 58 58 LYS CB C 100 32.382 35.429 -3.047 1
1 723 . 13 1 1 A 58 58 LYS N N 100 125.478 123.217 2.261 1
1 724 . 13 1 1 A 59 59 PRO HA H 101 3.708 4.066 -0.358 1
1 731 . 13 1 1 A 59 59 PRO C C 101 176.868 177.288 -0.420 1
1 732 . 13 1 1 A 59 59 PRO CA C 101 63.881 63.593 0.288 1
1 733 . 13 1 1 A 59 59 PRO CB C 101 31.168 31.236 -0.068 1
1 736 . 13 1 1 A 60 60 GLY H H 102 9.269 8.404 0.865 1
1 737 . 13 1 1 A 60 60 GLY HA2 H 102 4.299 3.888 0.411 1
1 738 . 13 1 1 A 60 60 GLY HA3 H 102 3.502 3.892 -0.390 1
1 739 . 13 1 1 A 60 60 GLY C C 102 174.023 174.496 -0.473 1
1 740 . 13 1 1 A 60 60 GLY CA C 102 45.005 44.969 0.036 1
1 741 . 13 1 1 A 60 60 GLY N N 102 112.023 112.797 -0.774 1
1 742 . 13 1 1 A 61 61 VAL H H 103 7.321 7.614 -0.293 1
1 743 . 13 1 1 A 61 61 VAL HA H 103 4.279 4.100 0.179 1
1 751 . 13 1 1 A 61 61 VAL C C 103 174.073 175.645 -1.572 1
1 752 . 13 1 1 A 61 61 VAL CA C 103 61.277 61.750 -0.473 1
1 753 . 13 1 1 A 61 61 VAL CB C 103 32.882 32.264 0.618 1
1 756 . 13 1 1 A 61 61 VAL N N 103 118.571 121.688 -3.117 1
1 757 . 13 1 1 A 62 62 GLU H H 104 8.204 8.521 -0.317 1
1 758 . 13 1 1 A 62 62 GLU HA H 104 4.946 4.714 0.232 1
1 763 . 13 1 1 A 62 62 GLU C C 104 176.252 176.350 -0.098 1
1 764 . 13 1 1 A 62 62 GLU CA C 104 55.398 56.477 -1.079 1
1 765 . 13 1 1 A 62 62 GLU CB C 104 30.129 30.272 -0.143 1
1 767 . 13 1 1 A 62 62 GLU N N 104 123.214 127.306 -4.092 1
1 768 . 13 1 1 A 63 63 VAL H H 105 9.066 8.816 0.250 1
1 769 . 13 1 1 A 63 63 VAL HA H 105 5.297 5.097 0.200 1
1 777 . 13 1 1 A 63 63 VAL C C 105 173.913 174.235 -0.322 1
1 778 . 13 1 1 A 63 63 VAL CA C 105 58.284 59.161 -0.877 1
1 779 . 13 1 1 A 63 63 VAL CB C 105 36.265 35.387 0.878 1
1 782 . 13 1 1 A 63 63 VAL N N 105 115.526 118.238 -2.712 1
1 783 . 13 1 1 A 64 64 ILE H H 106 8.542 9.056 -0.514 1
1 784 . 13 1 1 A 64 64 ILE HA H 106 4.775 4.516 0.259 1
1 794 . 13 1 1 A 64 64 ILE C C 106 176.511 175.888 0.623 1
1 795 . 13 1 1 A 64 64 ILE CA C 106 60.804 60.119 0.685 1
1 796 . 13 1 1 A 64 64 ILE CB C 106 40.991 39.258 1.733 1
1 800 . 13 1 1 A 64 64 ILE N N 106 120.283 122.864 -2.581 1
1 801 . 13 1 1 A 65 65 ILE H H 107 8.944 8.584 0.360 1
1 802 . 13 1 1 A 65 65 ILE HA H 107 5.197 5.037 0.160 1
1 812 . 13 1 1 A 65 65 ILE C C 107 174.076 174.683 -0.607 1
1 813 . 13 1 1 A 65 65 ILE CA C 107 58.384 59.412 -1.028 1
1 814 . 13 1 1 A 65 65 ILE CB C 107 42.082 39.585 2.497 1
1 818 . 13 1 1 A 65 65 ILE N N 107 122.157 123.981 -1.824 1
1 819 . 13 1 1 A 66 66 GLU H H 108 7.762 8.657 -0.895 1
1 820 . 13 1 1 A 66 66 GLU HA H 108 5.801 5.440 0.361 1
1 825 . 13 1 1 A 66 66 GLU C C 108 176.789 175.483 1.306 1
1 826 . 13 1 1 A 66 66 GLU CA C 108 54.063 55.429 -1.366 1
1 827 . 13 1 1 A 66 66 GLU CB C 108 32.818 33.650 -0.832 1
1 829 . 13 1 1 A 66 66 GLU N N 108 119.473 122.751 -3.278 1
1 830 . 13 1 1 A 67 67 GLY H H 109 9.064 8.457 0.607 1
1 831 . 13 1 1 A 67 67 GLY HA2 H 109 4.773 4.276 0.497 1
1 832 . 13 1 1 A 67 67 GLY HA3 H 109 3.948 4.302 -0.354 1
1 833 . 13 1 1 A 67 67 GLY C C 109 170.431 172.056 -1.625 1
1 834 . 13 1 1 A 67 67 GLY CA C 109 46.598 46.021 0.577 1
1 835 . 13 1 1 A 67 67 GLY N N 109 112.366 112.435 -0.069 1
1 836 . 13 1 1 A 68 68 GLY H H 110 7.116 7.826 -0.710 1
1 837 . 13 1 1 A 68 68 GLY HA2 H 110 3.949 3.958 -0.009 1
1 838 . 13 1 1 A 68 68 GLY HA3 H 110 3.732 4.055 -0.323 1
1 839 . 13 1 1 A 68 68 GLY C C 110 170.827 170.960 -0.133 1
1 840 . 13 1 1 A 68 68 GLY CA C 110 45.228 45.087 0.141 1
1 841 . 13 1 1 A 68 68 GLY N N 110 109.402 110.210 -0.808 1
1 842 . 13 1 1 A 69 69 LEU H H 111 8.542 8.546 -0.004 1
1 843 . 13 1 1 A 69 69 LEU HA H 111 4.546 4.901 -0.355 1
1 853 . 13 1 1 A 69 69 LEU C C 111 175.890 174.509 1.381 1
1 854 . 13 1 1 A 69 69 LEU CA C 111 54.400 53.567 0.833 1
1 855 . 13 1 1 A 69 69 LEU CB C 111 43.814 45.245 -1.431 1
1 859 . 13 1 1 A 69 69 LEU N N 111 122.808 122.207 0.601 1
1 860 . 13 1 1 A 70 70 ALA H H 112 8.889 8.647 0.242 1
1 861 . 13 1 1 A 70 70 ALA HA H 112 4.639 4.668 -0.029 1
1 865 . 13 1 1 A 70 70 ALA C C 112 174.900 176.291 -1.391 1
1 866 . 13 1 1 A 70 70 ALA CA C 112 49.951 50.048 -0.097 1
1 867 . 13 1 1 A 70 70 ALA CB C 112 18.111 19.511 -1.400 1
1 868 . 13 1 1 A 70 70 ALA N N 112 130.675 129.865 0.810 1
1 869 . 13 1 1 A 71 71 PRO HA H 113 4.338 4.419 -0.081 1
1 876 . 13 1 1 A 71 71 PRO C C 113 178.206 177.275 0.931 1
1 877 . 13 1 1 A 71 71 PRO CA C 113 64.055 63.225 0.830 1
1 878 . 13 1 1 A 71 71 PRO CB C 113 31.754 30.241 1.513 1
1 881 . 13 1 1 A 72 72 GLY H H 114 8.748 8.151 0.597 1
1 882 . 13 1 1 A 72 72 GLY HA2 H 114 4.165 3.986 0.179 1
1 883 . 13 1 1 A 72 72 GLY HA3 H 114 3.775 3.993 -0.218 1
1 884 . 13 1 1 A 72 72 GLY C C 114 174.200 174.821 -0.621 1
1 885 . 13 1 1 A 72 72 GLY CA C 114 45.602 45.391 0.211 1
1 886 . 13 1 1 A 72 72 GLY N N 114 111.945 112.281 -0.336 1
1 887 . 13 1 1 A 73 73 GLU H H 115 7.931 7.610 0.321 1
1 888 . 13 1 1 A 73 73 GLU HA H 115 4.581 4.461 0.120 1
1 893 . 13 1 1 A 73 73 GLU C C 115 175.843 176.714 -0.871 1
1 894 . 13 1 1 A 73 73 GLU CA C 115 55.732 55.573 0.159 1
1 895 . 13 1 1 A 73 73 GLU CB C 115 31.128 30.654 0.474 1
1 897 . 13 1 1 A 73 73 GLU N N 115 118.591 120.539 -1.948 1
1 898 . 13 1 1 A 74 74 ASP H H 116 8.467 8.710 -0.243 1
1 899 . 13 1 1 A 74 74 ASP HA H 116 4.823 4.691 0.132 1
1 902 . 13 1 1 A 74 74 ASP C C 116 175.848 175.815 0.033 1
1 903 . 13 1 1 A 74 74 ASP CA C 116 53.831 56.025 -2.194 1
1 904 . 13 1 1 A 74 74 ASP CB C 116 41.052 41.307 -0.255 1
1 905 . 13 1 1 A 74 74 ASP N N 116 118.021 124.140 -6.119 1
1 906 . 13 1 1 A 75 75 THR H H 117 7.301 7.658 -0.357 1
1 907 . 13 1 1 A 75 75 THR HA H 117 4.620 4.880 -0.260 1
1 912 . 13 1 1 A 75 75 THR C C 117 172.120 173.499 -1.379 1
1 913 . 13 1 1 A 75 75 THR CA C 117 61.907 60.985 0.922 1
1 914 . 13 1 1 A 75 75 THR CB C 117 71.398 69.852 1.546 1
1 916 . 13 1 1 A 75 75 THR N N 117 114.820 115.673 -0.853 1
1 917 . 13 1 1 A 76 76 PHE H H 118 9.657 9.242 0.415 1
1 918 . 13 1 1 A 76 76 PHE HA H 118 4.290 4.635 -0.345 1
1 926 . 13 1 1 A 76 76 PHE C C 118 174.118 174.557 -0.439 1
1 927 . 13 1 1 A 76 76 PHE CA C 118 58.185 57.345 0.840 1
1 928 . 13 1 1 A 76 76 PHE CB C 118 40.718 39.326 1.392 1
1 934 . 13 1 1 A 76 76 PHE N N 118 130.378 129.722 0.656 1
1 935 . 13 1 1 A 77 77 LYS H H 119 8.364 8.355 0.009 1
1 936 . 13 1 1 A 77 77 LYS HA H 119 4.853 4.570 0.283 1
1 945 . 13 1 1 A 77 77 LYS C C 119 175.278 174.924 0.354 1
1 946 . 13 1 1 A 77 77 LYS CA C 119 55.282 55.752 -0.470 1
1 947 . 13 1 1 A 77 77 LYS CB C 119 31.319 31.400 -0.081 1
1 951 . 13 1 1 A 77 77 LYS N N 119 129.777 126.882 2.895 1
1 952 . 13 1 1 A 78 78 ALA H H 120 8.837 8.670 0.167 1
1 953 . 13 1 1 A 78 78 ALA HA H 120 4.828 4.774 0.054 1
1 957 . 13 1 1 A 78 78 ALA C C 120 176.015 178.778 -2.763 1
1 958 . 13 1 1 A 78 78 ALA CA C 120 51.435 51.597 -0.162 1
1 959 . 13 1 1 A 78 78 ALA CB C 120 20.006 19.896 0.110 1
1 960 . 13 1 1 A 78 78 ALA N N 120 129.771 128.650 1.121 1
1 961 . 13 1 1 A 79 79 ARG H H 121 9.846 8.529 1.317 1
1 962 . 13 1 1 A 79 79 ARG HA H 121 4.582 4.220 0.362 1
1 970 . 13 1 1 A 79 79 ARG C C 121 176.651 176.219 0.432 1
1 971 . 13 1 1 A 79 79 ARG CA C 121 57.420 58.002 -0.582 1
1 972 . 13 1 1 A 79 79 ARG CB C 121 31.773 30.231 1.542 1
1 975 . 13 1 1 A 79 79 ARG N N 121 125.113 122.571 2.542 1
1 977 . 13 1 1 A 80 80 THR H H 122 7.938 7.596 0.342 1
1 978 . 13 1 1 A 80 80 THR HA H 122 4.921 5.295 -0.374 1
1 983 . 13 1 1 A 80 80 THR C C 122 172.002 172.787 -0.785 1
1 984 . 13 1 1 A 80 80 THR CA C 122 60.475 61.377 -0.902 1
1 985 . 13 1 1 A 80 80 THR CB C 122 72.093 72.658 -0.565 1
1 987 . 13 1 1 A 80 80 THR N N 122 109.595 114.201 -4.606 1
1 988 . 13 1 1 A 81 81 LEU H H 123 8.196 8.769 -0.573 1
1 989 . 13 1 1 A 81 81 LEU HA H 123 4.701 4.885 -0.184 1
1 999 . 13 1 1 A 81 81 LEU C C 123 173.804 173.992 -0.188 1
1 1000 . 13 1 1 A 81 81 LEU CA C 123 55.357 53.892 1.465 1
1 1001 . 13 1 1 A 81 81 LEU CB C 123 44.009 45.596 -1.587 1
1 1005 . 13 1 1 A 81 81 LEU N N 123 123.214 126.355 -3.141 1
1 1006 . 13 1 1 A 82 82 MET H H 124 8.700 8.592 0.108 1
1 1007 . 13 1 1 A 82 82 MET HA H 124 4.841 4.832 0.009 1
1 1015 . 13 1 1 A 82 82 MET C C 124 175.097 175.104 -0.007 1
1 1016 . 13 1 1 A 82 82 MET CA C 124 54.190 54.231 -0.041 1
1 1017 . 13 1 1 A 82 82 MET CB C 124 36.191 33.945 2.246 1
1 1020 . 13 1 1 A 82 82 MET N N 124 124.452 125.226 -0.774 1
1 1021 . 13 1 1 A 83 83 THR H H 125 8.671 8.729 -0.058 1
1 1022 . 13 1 1 A 83 83 THR HA H 125 4.934 4.444 0.490 1
1 1027 . 13 1 1 A 83 83 THR C C 125 174.094 175.008 -0.914 1
1 1028 . 13 1 1 A 83 83 THR CA C 125 60.253 61.827 -1.574 1
1 1029 . 13 1 1 A 83 83 THR CB C 125 69.831 69.314 0.517 1
1 1031 . 13 1 1 A 83 83 THR N N 125 113.070 117.757 -4.687 1
1 1032 . 13 1 1 A 84 84 LYS H H 126 8.419 9.070 -0.651 1
1 1033 . 13 1 1 A 84 84 LYS HA H 126 4.446 4.497 -0.051 1
1 1042 . 13 1 1 A 84 84 LYS C C 126 175.461 176.708 -1.247 1
1 1043 . 13 1 1 A 84 84 LYS CA C 126 55.500 56.246 -0.746 1
1 1044 . 13 1 1 A 84 84 LYS CB C 126 33.736 32.654 1.082 1
1 1048 . 13 1 1 A 84 84 LYS N N 126 123.139 123.747 -0.608 1
1 1049 . 13 1 1 A 85 85 CYS H H 127 8.543 7.766 0.777 1
1 1050 . 13 1 1 A 85 85 CYS HA H 127 4.795 4.744 0.051 1
1 1053 . 13 1 1 A 85 85 CYS C C 127 172.809 173.320 -0.511 1
1 1054 . 13 1 1 A 85 85 CYS CA C 127 56.423 56.286 0.137 1
1 1055 . 13 1 1 A 85 85 CYS CB C 127 27.739 28.764 -1.025 1
1 1056 . 13 1 1 A 85 85 CYS N N 127 123.709 122.158 1.551 1
1 1057 . 13 1 1 A 86 86 PRO HA H 128 4.439 4.568 -0.129 1
1 1064 . 13 1 1 A 86 86 PRO C C 128 176.560 175.932 0.628 1
1 1065 . 13 1 1 A 86 86 PRO CA C 128 63.292 62.962 0.330 1
1 1066 . 13 1 1 A 86 86 PRO CB C 128 32.165 31.887 0.278 1
1 1069 . 13 1 1 A 87 87 LEU H H 129 8.274 8.425 -0.151 1
1 1070 . 13 1 1 A 87 87 LEU HA H 129 4.256 4.808 -0.552 1
1 1080 . 13 1 1 A 87 87 LEU C C 129 177.141 175.500 1.641 1
1 1081 . 13 1 1 A 87 87 LEU CA C 129 55.281 53.513 1.768 1
1 1082 . 13 1 1 A 87 87 LEU CB C 129 42.299 43.684 -1.385 1
1 1086 . 13 1 1 A 87 87 LEU N N 129 122.188 123.556 -1.368 1
1 1 . 14 1 1 A 2 2 ALA HA H 44 4.214 4.044 0.170 1
1 5 . 14 1 1 A 2 2 ALA C C 44 173.758 176.644 -2.886 1
1 6 . 14 1 1 A 2 2 ALA CA C 44 51.848 53.582 -1.734 1
1 7 . 14 1 1 A 2 2 ALA CB C 44 19.505 17.713 1.792 1
1 8 . 14 1 1 A 3 3 THR H H 45 8.709 8.281 0.428 1
1 9 . 14 1 1 A 3 3 THR HA H 45 4.694 3.961 0.733 1
1 14 . 14 1 1 A 3 3 THR CA C 45 60.191 62.172 -1.981 1
1 15 . 14 1 1 A 3 3 THR CB C 45 69.815 67.411 2.404 1
1 17 . 14 1 1 A 3 3 THR N N 45 116.649 103.884 12.765 1
1 18 . 14 1 1 A 4 4 PRO HA H 46 4.412 4.432 -0.020 1
1 25 . 14 1 1 A 4 4 PRO C C 46 177.212 175.399 1.813 1
1 26 . 14 1 1 A 4 4 PRO CA C 46 63.698 63.566 0.132 1
1 27 . 14 1 1 A 4 4 PRO CB C 46 32.117 32.198 -0.081 1
1 30 . 14 1 1 A 5 5 GLN H H 47 8.463 8.701 -0.238 1
1 31 . 14 1 1 A 5 5 GLN HA H 47 4.260 4.535 -0.275 1
1 38 . 14 1 1 A 5 5 GLN C C 47 176.073 173.863 2.210 1
1 39 . 14 1 1 A 5 5 GLN CA C 47 56.328 54.860 1.468 1
1 40 . 14 1 1 A 5 5 GLN CB C 47 29.286 29.679 -0.393 1
1 43 . 14 1 1 A 5 5 GLN N N 47 119.945 123.144 -3.199 1
1 45 . 14 1 1 A 6 6 ASP H H 48 8.276 7.788 0.488 1
1 46 . 14 1 1 A 6 6 ASP HA H 48 4.558 4.392 0.166 1
1 49 . 14 1 1 A 6 6 ASP C C 48 176.454 176.390 0.064 1
1 50 . 14 1 1 A 6 6 ASP CA C 48 54.538 54.656 -0.118 1
1 51 . 14 1 1 A 6 6 ASP CB C 48 40.873 42.339 -1.466 1
1 52 . 14 1 1 A 6 6 ASP N N 48 120.974 122.498 -1.524 1
1 53 . 14 1 1 A 7 7 LYS H H 49 8.218 8.993 -0.775 1
1 54 . 14 1 1 A 7 7 LYS HA H 49 4.264 4.609 -0.345 1
1 63 . 14 1 1 A 7 7 LYS C C 49 176.665 178.724 -2.059 1
1 64 . 14 1 1 A 7 7 LYS CA C 49 56.655 57.589 -0.934 1
1 65 . 14 1 1 A 7 7 LYS CB C 49 32.837 32.525 0.312 1
1 69 . 14 1 1 A 7 7 LYS N N 49 120.950 126.452 -5.502 1
1 70 . 14 1 1 A 8 8 LEU H H 50 8.010 7.861 0.149 1
1 71 . 14 1 1 A 8 8 LEU HA H 50 4.279 4.048 0.231 1
1 81 . 14 1 1 A 8 8 LEU C C 50 177.110 178.133 -1.023 1
1 82 . 14 1 1 A 8 8 LEU CA C 50 55.353 57.708 -2.355 1
1 83 . 14 1 1 A 8 8 LEU CB C 50 42.302 41.995 0.307 1
1 87 . 14 1 1 A 8 8 LEU N N 50 121.105 119.531 1.574 1
1 88 . 14 1 1 A 9 9 HIS H H 51 8.411 7.517 0.894 1
1 89 . 14 1 1 A 9 9 HIS HA H 51 4.780 4.736 0.044 1
1 92 . 14 1 1 A 9 9 HIS C C 51 174.285 175.563 -1.278 1
1 93 . 14 1 1 A 9 9 HIS CA C 51 55.320 55.832 -0.512 1
1 94 . 14 1 1 A 9 9 HIS CB C 51 28.827 30.377 -1.550 1
1 95 . 14 1 1 A 9 9 HIS N N 51 119.035 111.505 7.530 1
1 96 . 14 1 1 A 10 10 THR H H 52 8.178 7.359 0.819 1
1 97 . 14 1 1 A 10 10 THR HA H 52 4.488 4.045 0.443 1
1 102 . 14 1 1 A 10 10 THR C C 52 173.766 174.150 -0.384 1
1 103 . 14 1 1 A 10 10 THR CA C 52 62.392 63.478 -1.086 1
1 104 . 14 1 1 A 10 10 THR CB C 52 70.104 69.678 0.426 1
1 106 . 14 1 1 A 10 10 THR N N 52 117.285 117.169 0.116 1
1 107 . 14 1 1 A 11 11 VAL H H 53 9.088 8.783 0.305 1
1 108 . 14 1 1 A 11 11 VAL HA H 53 4.464 4.583 -0.119 1
1 116 . 14 1 1 A 11 11 VAL C C 53 174.048 174.286 -0.238 1
1 117 . 14 1 1 A 11 11 VAL CA C 53 61.359 61.478 -0.119 1
1 118 . 14 1 1 A 11 11 VAL CB C 53 34.602 32.556 2.046 1
1 121 . 14 1 1 A 11 11 VAL N N 53 123.969 126.973 -3.004 1
1 122 . 14 1 1 A 12 12 ARG H H 54 8.386 9.084 -0.698 1
1 123 . 14 1 1 A 12 12 ARG HA H 54 5.495 5.029 0.466 1
1 131 . 14 1 1 A 12 12 ARG C C 54 175.364 174.394 0.970 1
1 132 . 14 1 1 A 12 12 ARG CA C 54 54.401 55.021 -0.620 1
1 133 . 14 1 1 A 12 12 ARG CB C 54 32.753 31.476 1.277 1
1 136 . 14 1 1 A 12 12 ARG N N 54 125.294 129.148 -3.854 1
1 138 . 14 1 1 A 13 13 LEU H H 55 8.828 8.768 0.060 1
1 139 . 14 1 1 A 13 13 LEU HA H 55 4.726 5.163 -0.437 1
1 149 . 14 1 1 A 13 13 LEU C C 55 174.223 174.067 0.156 1
1 150 . 14 1 1 A 13 13 LEU CA C 55 53.309 52.760 0.549 1
1 151 . 14 1 1 A 13 13 LEU CB C 55 45.884 45.291 0.593 1
1 155 . 14 1 1 A 13 13 LEU N N 55 124.874 128.309 -3.435 1
1 156 . 14 1 1 A 14 14 PHE H H 56 8.195 9.006 -0.811 1
1 157 . 14 1 1 A 14 14 PHE HA H 56 5.576 5.421 0.155 1
1 165 . 14 1 1 A 14 14 PHE C C 56 175.266 176.268 -1.002 1
1 166 . 14 1 1 A 14 14 PHE CA C 56 55.009 55.187 -0.178 1
1 167 . 14 1 1 A 14 14 PHE CB C 56 42.340 41.563 0.777 1
1 173 . 14 1 1 A 14 14 PHE N N 56 118.334 125.553 -7.219 1
1 174 . 14 1 1 A 15 15 GLY H H 57 8.134 8.595 -0.461 1
1 175 . 14 1 1 A 15 15 GLY HA2 H 57 4.229 4.311 -0.082 1
1 176 . 14 1 1 A 15 15 GLY HA3 H 57 4.004 4.326 -0.322 1
1 177 . 14 1 1 A 15 15 GLY C C 57 171.108 171.680 -0.572 1
1 178 . 14 1 1 A 15 15 GLY CA C 57 45.857 45.533 0.324 1
1 179 . 14 1 1 A 15 15 GLY N N 57 109.159 109.797 -0.638 1
1 180 . 14 1 1 A 16 16 THR H H 58 8.595 8.752 -0.157 1
1 181 . 14 1 1 A 16 16 THR HA H 58 5.114 5.012 0.102 1
1 186 . 14 1 1 A 16 16 THR C C 58 174.484 173.446 1.038 1
1 187 . 14 1 1 A 16 16 THR CA C 58 60.591 61.470 -0.879 1
1 188 . 14 1 1 A 16 16 THR CB C 58 71.164 71.516 -0.352 1
1 190 . 14 1 1 A 16 16 THR N N 58 113.580 115.418 -1.838 1
1 191 . 14 1 1 A 17 17 VAL H H 59 8.053 8.671 -0.618 1
1 192 . 14 1 1 A 17 17 VAL HA H 59 3.876 4.225 -0.349 1
1 200 . 14 1 1 A 17 17 VAL C C 59 176.315 176.035 0.280 1
1 201 . 14 1 1 A 17 17 VAL CA C 59 63.549 62.815 0.734 1
1 202 . 14 1 1 A 17 17 VAL CB C 59 32.779 31.743 1.036 1
1 205 . 14 1 1 A 17 17 VAL N N 59 124.410 127.259 -2.849 1
1 206 . 14 1 1 A 18 18 ALA H H 60 8.931 8.539 0.392 1
1 207 . 14 1 1 A 18 18 ALA HA H 60 4.354 4.308 0.046 1
1 211 . 14 1 1 A 18 18 ALA C C 60 177.293 178.173 -0.880 1
1 212 . 14 1 1 A 18 18 ALA CA C 60 52.138 52.532 -0.394 1
1 213 . 14 1 1 A 18 18 ALA CB C 60 19.782 19.168 0.614 1
1 214 . 14 1 1 A 18 18 ALA N N 60 133.912 130.762 3.150 1
1 215 . 14 1 1 A 19 19 ALA H H 61 8.548 8.661 -0.113 1
1 216 . 14 1 1 A 19 19 ALA HA H 61 4.105 4.121 -0.016 1
1 220 . 14 1 1 A 19 19 ALA C C 61 178.793 176.454 2.339 1
1 221 . 14 1 1 A 19 19 ALA CA C 61 54.218 53.708 0.510 1
1 222 . 14 1 1 A 19 19 ALA CB C 61 18.969 18.959 0.010 1
1 223 . 14 1 1 A 19 19 ALA N N 61 121.667 124.349 -2.682 1
1 224 . 14 1 1 A 20 20 ASP H H 62 8.117 8.063 0.054 1
1 225 . 14 1 1 A 20 20 ASP HA H 62 4.602 4.631 -0.029 1
1 228 . 14 1 1 A 20 20 ASP C C 62 177.210 176.581 0.629 1
1 229 . 14 1 1 A 20 20 ASP CA C 62 54.575 53.606 0.969 1
1 230 . 14 1 1 A 20 20 ASP CB C 62 41.188 41.990 -0.802 1
1 231 . 14 1 1 A 20 20 ASP N N 62 115.534 119.118 -3.584 1
1 232 . 14 1 1 A 21 21 GLY H H 63 8.996 8.652 0.344 1
1 233 . 14 1 1 A 21 21 GLY HA2 H 63 4.311 4.133 0.178 1
1 234 . 14 1 1 A 21 21 GLY HA3 H 63 3.888 4.236 -0.348 1
1 235 . 14 1 1 A 21 21 GLY C C 63 173.384 174.124 -0.740 1
1 236 . 14 1 1 A 21 21 GLY CA C 63 46.124 46.768 -0.644 1
1 237 . 14 1 1 A 21 21 GLY N N 63 112.754 113.498 -0.744 1
1 238 . 14 1 1 A 22 22 LEU H H 64 7.380 7.835 -0.455 1
1 239 . 14 1 1 A 22 22 LEU HA H 64 4.964 5.394 -0.430 1
1 249 . 14 1 1 A 22 22 LEU C C 64 178.011 174.805 3.206 1
1 250 . 14 1 1 A 22 22 LEU CA C 64 57.159 54.278 2.881 1
1 251 . 14 1 1 A 22 22 LEU CB C 64 42.160 45.937 -3.777 1
1 255 . 14 1 1 A 22 22 LEU N N 64 123.991 120.170 3.821 1
1 256 . 14 1 1 A 23 23 THR H H 65 9.752 9.254 0.498 1
1 257 . 14 1 1 A 23 23 THR HA H 65 4.755 4.920 -0.165 1
1 262 . 14 1 1 A 23 23 THR C C 65 173.249 173.316 -0.067 1
1 263 . 14 1 1 A 23 23 THR CA C 65 61.231 61.366 -0.135 1
1 264 . 14 1 1 A 23 23 THR CB C 65 71.995 72.730 -0.735 1
1 266 . 14 1 1 A 23 23 THR N N 65 124.024 121.088 2.936 1
1 267 . 14 1 1 A 24 24 MET H H 66 8.881 8.639 0.242 1
1 268 . 14 1 1 A 24 24 MET HA H 66 5.019 4.771 0.248 1
1 276 . 14 1 1 A 24 24 MET C C 66 176.750 176.818 -0.068 1
1 277 . 14 1 1 A 24 24 MET CA C 66 54.452 54.724 -0.272 1
1 278 . 14 1 1 A 24 24 MET CB C 66 31.809 33.598 -1.789 1
1 281 . 14 1 1 A 24 24 MET N N 66 125.215 124.902 0.313 1
1 282 . 14 1 1 A 25 25 LEU H H 67 8.037 8.384 -0.347 1
1 283 . 14 1 1 A 25 25 LEU HA H 67 4.253 4.296 -0.043 1
1 293 . 14 1 1 A 25 25 LEU C C 67 176.617 176.574 0.043 1
1 294 . 14 1 1 A 25 25 LEU CA C 67 55.259 54.985 0.274 1
1 295 . 14 1 1 A 25 25 LEU CB C 67 41.019 42.443 -1.424 1
1 299 . 14 1 1 A 25 25 LEU N N 67 123.282 121.958 1.324 1
1 300 . 14 1 1 A 26 26 ASP H H 68 8.419 8.967 -0.548 1
1 301 . 14 1 1 A 26 26 ASP HA H 68 4.695 4.289 0.406 1
1 304 . 14 1 1 A 26 26 ASP C C 68 176.728 177.262 -0.534 1
1 305 . 14 1 1 A 26 26 ASP CA C 68 53.907 56.074 -2.167 1
1 306 . 14 1 1 A 26 26 ASP CB C 68 41.338 39.905 1.433 1
1 307 . 14 1 1 A 26 26 ASP N N 68 120.434 124.331 -3.897 1
1 308 . 14 1 1 A 27 27 GLY H H 69 8.607 8.787 -0.180 1
1 309 . 14 1 1 A 27 27 GLY HA2 H 69 4.055 3.897 0.158 1
1 310 . 14 1 1 A 27 27 GLY HA3 H 69 3.665 3.900 -0.235 1
1 311 . 14 1 1 A 27 27 GLY C C 69 173.151 173.361 -0.210 1
1 312 . 14 1 1 A 27 27 GLY CA C 69 45.895 46.416 -0.521 1
1 313 . 14 1 1 A 27 27 GLY N N 69 112.545 112.171 0.374 1
1 314 . 14 1 1 A 28 28 ALA H H 70 7.634 7.143 0.491 1
1 315 . 14 1 1 A 28 28 ALA HA H 70 4.575 4.733 -0.158 1
1 319 . 14 1 1 A 28 28 ALA C C 70 174.090 174.327 -0.237 1
1 320 . 14 1 1 A 28 28 ALA CA C 70 50.137 49.882 0.255 1
1 321 . 14 1 1 A 28 28 ALA CB C 70 19.221 22.025 -2.804 1
1 322 . 14 1 1 A 28 28 ALA N N 70 125.545 120.682 4.863 1
1 323 . 14 1 1 A 29 29 PRO HA H 71 4.462 4.652 -0.190 1
1 330 . 14 1 1 A 29 29 PRO C C 71 176.671 175.995 0.676 1
1 331 . 14 1 1 A 29 29 PRO CA C 71 63.021 63.503 -0.482 1
1 332 . 14 1 1 A 29 29 PRO CB C 71 32.015 31.526 0.489 1
1 335 . 14 1 1 A 30 30 GLY H H 72 7.988 7.927 0.061 1
1 336 . 14 1 1 A 30 30 GLY HA2 H 72 5.001 4.044 0.957 1
1 337 . 14 1 1 A 30 30 GLY HA3 H 72 3.991 4.052 -0.061 1
1 338 . 14 1 1 A 30 30 GLY C C 72 172.906 171.210 1.696 1
1 339 . 14 1 1 A 30 30 GLY CA C 72 45.642 45.296 0.346 1
1 340 . 14 1 1 A 30 30 GLY N N 72 109.355 110.090 -0.735 1
1 341 . 14 1 1 A 31 31 VAL H H 73 9.332 8.385 0.947 1
1 342 . 14 1 1 A 31 31 VAL HA H 73 5.194 4.871 0.323 1
1 350 . 14 1 1 A 31 31 VAL C C 73 171.443 172.914 -1.471 1
1 351 . 14 1 1 A 31 31 VAL CA C 73 60.233 59.870 0.363 1
1 352 . 14 1 1 A 31 31 VAL CB C 73 35.471 35.421 0.050 1
1 355 . 14 1 1 A 31 31 VAL N N 73 116.539 118.407 -1.868 1
1 356 . 14 1 1 A 32 32 ARG H H 74 8.956 9.152 -0.196 1
1 357 . 14 1 1 A 32 32 ARG HA H 74 5.999 5.729 0.270 1
1 365 . 14 1 1 A 32 32 ARG C C 74 174.581 175.489 -0.908 1
1 366 . 14 1 1 A 32 32 ARG CA C 74 54.187 54.598 -0.411 1
1 367 . 14 1 1 A 32 32 ARG CB C 74 33.463 32.522 0.941 1
1 370 . 14 1 1 A 32 32 ARG N N 74 127.557 128.797 -1.240 1
1 372 . 14 1 1 A 33 33 PHE H H 75 9.262 8.703 0.559 1
1 373 . 14 1 1 A 33 33 PHE HA H 75 5.461 5.604 -0.143 1
1 381 . 14 1 1 A 33 33 PHE C C 75 171.210 172.670 -1.460 1
1 382 . 14 1 1 A 33 33 PHE CA C 75 55.947 55.725 0.222 1
1 383 . 14 1 1 A 33 33 PHE CB C 75 41.151 42.303 -1.152 1
1 389 . 14 1 1 A 33 33 PHE N N 75 120.514 121.308 -0.794 1
1 390 . 14 1 1 A 34 34 ARG H H 76 9.921 8.626 1.295 1
1 391 . 14 1 1 A 34 34 ARG HA H 76 4.368 3.838 0.530 1
1 399 . 14 1 1 A 34 34 ARG C C 76 173.994 174.893 -0.899 1
1 400 . 14 1 1 A 34 34 ARG CA C 76 54.594 54.928 -0.334 1
1 401 . 14 1 1 A 34 34 ARG CB C 76 31.539 29.809 1.730 1
1 404 . 14 1 1 A 34 34 ARG N N 76 122.011 121.166 0.845 1
1 406 . 14 1 1 A 35 35 LEU H H 77 8.781 8.659 0.122 1
1 407 . 14 1 1 A 35 35 LEU HA H 77 4.755 4.783 -0.028 1
1 417 . 14 1 1 A 35 35 LEU C C 77 176.305 174.721 1.584 1
1 418 . 14 1 1 A 35 35 LEU CA C 77 53.188 54.822 -1.634 1
1 419 . 14 1 1 A 35 35 LEU CB C 77 44.689 42.829 1.860 1
1 423 . 14 1 1 A 35 35 LEU N N 77 127.038 128.759 -1.721 1
1 424 . 14 1 1 A 36 36 GLU H H 78 9.342 8.575 0.767 1
1 425 . 14 1 1 A 36 36 GLU HA H 78 4.531 4.572 -0.041 1
1 430 . 14 1 1 A 36 36 GLU C C 78 175.380 176.014 -0.634 1
1 431 . 14 1 1 A 36 36 GLU CA C 78 54.829 55.647 -0.818 1
1 432 . 14 1 1 A 36 36 GLU CB C 78 29.842 30.110 -0.268 1
1 434 . 14 1 1 A 36 36 GLU N N 78 126.891 126.626 0.265 1
1 435 . 14 1 1 A 37 37 ASP H H 79 8.418 8.469 -0.051 1
1 436 . 14 1 1 A 37 37 ASP HA H 79 4.630 4.466 0.164 1
1 439 . 14 1 1 A 37 37 ASP C C 79 176.623 177.601 -0.978 1
1 440 . 14 1 1 A 37 37 ASP CA C 79 53.996 54.764 -0.768 1
1 441 . 14 1 1 A 37 37 ASP CB C 79 41.401 42.553 -1.152 1
1 442 . 14 1 1 A 37 37 ASP N N 79 125.084 126.772 -1.688 1
1 443 . 14 1 1 A 38 38 LYS H H 80 8.691 9.031 -0.340 1
1 444 . 14 1 1 A 38 38 LYS HA H 80 4.064 4.155 -0.091 1
1 453 . 14 1 1 A 38 38 LYS C C 80 176.779 178.221 -1.442 1
1 454 . 14 1 1 A 38 38 LYS CA C 80 57.994 58.749 -0.755 1
1 455 . 14 1 1 A 38 38 LYS CB C 80 32.404 32.139 0.265 1
1 459 . 14 1 1 A 38 38 LYS N N 80 124.179 126.280 -2.101 1
1 460 . 14 1 1 A 39 39 ASP H H 81 8.355 7.740 0.615 1
1 461 . 14 1 1 A 39 39 ASP HA H 81 4.591 4.489 0.102 1
1 464 . 14 1 1 A 39 39 ASP C C 81 175.682 175.875 -0.193 1
1 465 . 14 1 1 A 39 39 ASP CA C 81 54.888 56.579 -1.691 1
1 466 . 14 1 1 A 39 39 ASP CB C 81 41.040 41.874 -0.834 1
1 467 . 14 1 1 A 39 39 ASP N N 81 117.392 119.597 -2.205 1
1 468 . 14 1 1 A 40 40 ASN H H 82 7.954 7.901 0.053 1
1 469 . 14 1 1 A 40 40 ASN HA H 82 4.785 5.050 -0.265 1
1 474 . 14 1 1 A 40 40 ASN C C 82 175.435 175.284 0.151 1
1 475 . 14 1 1 A 40 40 ASN CA C 82 53.032 52.018 1.014 1
1 476 . 14 1 1 A 40 40 ASN CB C 82 38.471 42.181 -3.710 1
1 478 . 14 1 1 A 40 40 ASN N N 82 117.785 114.097 3.688 1
1 480 . 14 1 1 A 41 41 THR H H 83 8.518 8.821 -0.303 1
1 481 . 14 1 1 A 41 41 THR HA H 83 4.243 4.028 0.215 1
1 486 . 14 1 1 A 41 41 THR C C 83 175.191 175.805 -0.614 1
1 487 . 14 1 1 A 41 41 THR CA C 83 63.584 65.135 -1.551 1
1 488 . 14 1 1 A 41 41 THR CB C 83 69.267 69.029 0.238 1
1 490 . 14 1 1 A 41 41 THR N N 83 114.265 120.461 -6.196 1
1 491 . 14 1 1 A 42 42 SER H H 84 8.179 8.019 0.160 1
1 492 . 14 1 1 A 42 42 SER HA H 84 4.439 4.222 0.217 1
1 495 . 14 1 1 A 42 42 SER C C 84 174.269 175.076 -0.807 1
1 496 . 14 1 1 A 42 42 SER CA C 84 59.222 60.909 -1.687 1
1 497 . 14 1 1 A 42 42 SER CB C 84 63.627 63.235 0.392 1
1 498 . 14 1 1 A 42 42 SER N N 84 115.576 115.948 -0.372 1
1 499 . 14 1 1 A 43 43 LYS H H 85 7.911 7.450 0.461 1
1 500 . 14 1 1 A 43 43 LYS HA H 85 4.460 4.457 0.003 1
1 509 . 14 1 1 A 43 43 LYS C C 85 175.440 175.236 0.204 1
1 510 . 14 1 1 A 43 43 LYS CA C 85 55.961 55.009 0.952 1
1 511 . 14 1 1 A 43 43 LYS CB C 85 33.032 30.787 2.245 1
1 515 . 14 1 1 A 43 43 LYS N N 85 123.691 119.169 4.522 1
1 516 . 14 1 1 A 44 44 THR H H 86 8.165 8.023 0.142 1
1 517 . 14 1 1 A 44 44 THR HA H 86 4.904 5.006 -0.102 1
1 522 . 14 1 1 A 44 44 THR C C 86 173.685 173.505 0.180 1
1 523 . 14 1 1 A 44 44 THR CA C 86 60.794 60.898 -0.104 1
1 524 . 14 1 1 A 44 44 THR CB C 86 71.046 69.820 1.226 1
1 526 . 14 1 1 A 44 44 THR N N 86 117.392 115.154 2.238 1
1 527 . 14 1 1 A 45 45 VAL H H 87 8.155 8.841 -0.686 1
1 528 . 14 1 1 A 45 45 VAL HA H 87 4.402 4.458 -0.056 1
1 536 . 14 1 1 A 45 45 VAL C C 87 174.343 174.888 -0.545 1
1 537 . 14 1 1 A 45 45 VAL CA C 87 60.551 60.766 -0.215 1
1 538 . 14 1 1 A 45 45 VAL CB C 87 35.225 33.603 1.622 1
1 541 . 14 1 1 A 45 45 VAL N N 87 123.105 126.450 -3.345 1
1 542 . 14 1 1 A 46 46 TRP H H 88 8.574 8.913 -0.339 1
1 543 . 14 1 1 A 46 46 TRP HA H 88 4.789 5.117 -0.328 1
1 552 . 14 1 1 A 46 46 TRP C C 88 175.287 176.076 -0.789 1
1 553 . 14 1 1 A 46 46 TRP CA C 88 57.716 56.767 0.949 1
1 554 . 14 1 1 A 46 46 TRP CB C 88 30.822 30.919 -0.097 1
1 560 . 14 1 1 A 46 46 TRP N N 88 126.326 128.833 -2.507 1
1 562 . 14 1 1 A 47 47 VAL H H 89 9.550 8.908 0.642 1
1 563 . 14 1 1 A 47 47 VAL HA H 89 4.884 4.756 0.128 1
1 571 . 14 1 1 A 47 47 VAL C C 89 173.675 174.438 -0.763 1
1 572 . 14 1 1 A 47 47 VAL CA C 89 60.713 61.090 -0.377 1
1 573 . 14 1 1 A 47 47 VAL CB C 89 33.847 32.828 1.019 1
1 576 . 14 1 1 A 47 47 VAL N N 89 123.380 123.112 0.268 1
1 577 . 14 1 1 A 48 48 LEU H H 90 8.757 9.058 -0.301 1
1 578 . 14 1 1 A 48 48 LEU HA H 90 5.181 4.861 0.320 1
1 588 . 14 1 1 A 48 48 LEU C C 90 175.118 175.178 -0.060 1
1 589 . 14 1 1 A 48 48 LEU CA C 90 53.567 53.632 -0.065 1
1 590 . 14 1 1 A 48 48 LEU CB C 90 45.758 43.091 2.667 1
1 594 . 14 1 1 A 48 48 LEU N N 90 125.653 130.251 -4.598 1
1 595 . 14 1 1 A 49 49 TYR H H 91 9.355 9.141 0.214 1
1 596 . 14 1 1 A 49 49 TYR HA H 91 5.196 4.898 0.298 1
1 603 . 14 1 1 A 49 49 TYR C C 91 172.437 174.436 -1.999 1
1 604 . 14 1 1 A 49 49 TYR CA C 91 56.490 56.506 -0.016 1
1 605 . 14 1 1 A 49 49 TYR CB C 91 41.602 39.656 1.946 1
1 610 . 14 1 1 A 49 49 TYR N N 91 129.351 128.843 0.508 1
1 611 . 14 1 1 A 50 50 LYS H H 92 7.805 8.043 -0.238 1
1 612 . 14 1 1 A 50 50 LYS HA H 92 4.450 4.477 -0.027 1
1 621 . 14 1 1 A 50 50 LYS C C 92 173.949 176.014 -2.065 1
1 622 . 14 1 1 A 50 50 LYS CA C 92 55.264 55.539 -0.275 1
1 623 . 14 1 1 A 50 50 LYS CB C 92 32.484 32.500 -0.016 1
1 627 . 14 1 1 A 50 50 LYS N N 92 127.571 127.495 0.076 1
1 628 . 14 1 1 A 51 51 GLY H H 93 7.147 7.905 -0.758 1
1 629 . 14 1 1 A 51 51 GLY HA2 H 93 3.810 3.771 0.039 1
1 630 . 14 1 1 A 51 51 GLY HA3 H 93 3.609 3.959 -0.350 1
1 631 . 14 1 1 A 51 51 GLY C C 93 170.582 172.198 -1.616 1
1 632 . 14 1 1 A 51 51 GLY CA C 93 43.645 44.089 -0.444 1
1 633 . 14 1 1 A 51 51 GLY N N 93 111.723 109.450 2.273 1
1 634 . 14 1 1 A 52 52 ALA H H 94 8.185 8.214 -0.029 1
1 635 . 14 1 1 A 52 52 ALA HA H 94 4.273 4.416 -0.143 1
1 639 . 14 1 1 A 52 52 ALA C C 94 178.775 177.339 1.436 1
1 640 . 14 1 1 A 52 52 ALA CA C 94 52.381 52.317 0.064 1
1 641 . 14 1 1 A 52 52 ALA CB C 94 18.392 18.870 -0.478 1
1 642 . 14 1 1 A 52 52 ALA N N 94 119.165 123.140 -3.975 1
1 643 . 14 1 1 A 53 53 VAL H H 95 8.967 8.732 0.235 1
1 644 . 14 1 1 A 53 53 VAL HA H 95 4.200 4.469 -0.269 1
1 652 . 14 1 1 A 53 53 VAL C C 95 174.416 174.709 -0.293 1
1 653 . 14 1 1 A 53 53 VAL CA C 95 60.028 60.416 -0.388 1
1 654 . 14 1 1 A 53 53 VAL CB C 95 32.712 32.046 0.666 1
1 657 . 14 1 1 A 53 53 VAL N N 95 127.597 124.532 3.065 1
1 658 . 14 1 1 A 54 54 PRO HA H 96 4.609 4.754 -0.145 1
1 665 . 14 1 1 A 54 54 PRO C C 96 177.752 177.280 0.472 1
1 666 . 14 1 1 A 54 54 PRO CA C 96 62.907 62.508 0.399 1
1 667 . 14 1 1 A 54 54 PRO CB C 96 32.850 32.829 0.021 1
1 670 . 14 1 1 A 55 55 ASP H H 97 9.047 8.749 0.298 1
1 671 . 14 1 1 A 55 55 ASP HA H 97 4.459 4.351 0.108 1
1 674 . 14 1 1 A 55 55 ASP C C 97 176.541 178.276 -1.735 1
1 675 . 14 1 1 A 55 55 ASP CA C 97 56.434 56.580 -0.146 1
1 676 . 14 1 1 A 55 55 ASP CB C 97 39.845 40.346 -0.501 1
1 677 . 14 1 1 A 55 55 ASP N N 97 122.223 122.868 -0.645 1
1 678 . 14 1 1 A 56 56 THR H H 98 7.196 7.892 -0.696 1
1 679 . 14 1 1 A 56 56 THR HA H 98 4.105 4.003 0.102 1
1 684 . 14 1 1 A 56 56 THR C C 98 174.743 174.900 -0.157 1
1 685 . 14 1 1 A 56 56 THR CA C 98 60.857 64.558 -3.701 1
1 686 . 14 1 1 A 56 56 THR CB C 98 69.227 69.044 0.183 1
1 688 . 14 1 1 A 56 56 THR N N 98 105.196 115.797 -10.601 1
1 689 . 14 1 1 A 57 57 PHE H H 99 7.766 7.557 0.209 1
1 690 . 14 1 1 A 57 57 PHE HA H 99 3.752 4.456 -0.704 1
1 698 . 14 1 1 A 57 57 PHE C C 99 172.629 174.111 -1.482 1
1 699 . 14 1 1 A 57 57 PHE CA C 99 60.570 57.867 2.703 1
1 700 . 14 1 1 A 57 57 PHE CB C 99 40.156 38.827 1.329 1
1 706 . 14 1 1 A 57 57 PHE N N 99 122.514 122.380 0.134 1
1 707 . 14 1 1 A 58 58 LYS H H 100 6.468 8.446 -1.978 1
1 708 . 14 1 1 A 58 58 LYS HA H 100 4.409 4.795 -0.386 1
1 717 . 14 1 1 A 58 58 LYS C C 100 171.564 173.204 -1.640 1
1 718 . 14 1 1 A 58 58 LYS CA C 100 53.643 53.295 0.348 1
1 719 . 14 1 1 A 58 58 LYS CB C 100 32.382 35.407 -3.025 1
1 723 . 14 1 1 A 58 58 LYS N N 100 125.478 122.747 2.731 1
1 724 . 14 1 1 A 59 59 PRO HA H 101 3.708 4.092 -0.384 1
1 731 . 14 1 1 A 59 59 PRO C C 101 176.868 177.372 -0.504 1
1 732 . 14 1 1 A 59 59 PRO CA C 101 63.881 63.541 0.340 1
1 733 . 14 1 1 A 59 59 PRO CB C 101 31.168 31.213 -0.045 1
1 736 . 14 1 1 A 60 60 GLY H H 102 9.269 8.750 0.519 1
1 737 . 14 1 1 A 60 60 GLY HA2 H 102 4.299 3.885 0.414 1
1 738 . 14 1 1 A 60 60 GLY HA3 H 102 3.502 3.886 -0.384 1
1 739 . 14 1 1 A 60 60 GLY C C 102 174.023 174.538 -0.515 1
1 740 . 14 1 1 A 60 60 GLY CA C 102 45.005 45.027 -0.022 1
1 741 . 14 1 1 A 60 60 GLY N N 102 112.023 112.679 -0.656 1
1 742 . 14 1 1 A 61 61 VAL H H 103 7.321 7.640 -0.319 1
1 743 . 14 1 1 A 61 61 VAL HA H 103 4.279 4.049 0.230 1
1 751 . 14 1 1 A 61 61 VAL C C 103 174.073 175.730 -1.657 1
1 752 . 14 1 1 A 61 61 VAL CA C 103 61.277 62.012 -0.735 1
1 753 . 14 1 1 A 61 61 VAL CB C 103 32.882 32.411 0.471 1
1 756 . 14 1 1 A 61 61 VAL N N 103 118.571 121.690 -3.119 1
1 757 . 14 1 1 A 62 62 GLU H H 104 8.204 8.563 -0.359 1
1 758 . 14 1 1 A 62 62 GLU HA H 104 4.946 4.621 0.325 1
1 763 . 14 1 1 A 62 62 GLU C C 104 176.252 176.415 -0.163 1
1 764 . 14 1 1 A 62 62 GLU CA C 104 55.398 56.410 -1.012 1
1 765 . 14 1 1 A 62 62 GLU CB C 104 30.129 30.369 -0.240 1
1 767 . 14 1 1 A 62 62 GLU N N 104 123.214 126.400 -3.186 1
1 768 . 14 1 1 A 63 63 VAL H H 105 9.066 8.870 0.196 1
1 769 . 14 1 1 A 63 63 VAL HA H 105 5.297 5.089 0.208 1
1 777 . 14 1 1 A 63 63 VAL C C 105 173.913 174.593 -0.680 1
1 778 . 14 1 1 A 63 63 VAL CA C 105 58.284 59.106 -0.822 1
1 779 . 14 1 1 A 63 63 VAL CB C 105 36.265 36.229 0.036 1
1 782 . 14 1 1 A 63 63 VAL N N 105 115.526 118.174 -2.648 1
1 783 . 14 1 1 A 64 64 ILE H H 106 8.542 8.880 -0.338 1
1 784 . 14 1 1 A 64 64 ILE HA H 106 4.775 4.523 0.252 1
1 794 . 14 1 1 A 64 64 ILE C C 106 176.511 175.540 0.971 1
1 795 . 14 1 1 A 64 64 ILE CA C 106 60.804 60.338 0.466 1
1 796 . 14 1 1 A 64 64 ILE CB C 106 40.991 40.350 0.641 1
1 800 . 14 1 1 A 64 64 ILE N N 106 120.283 121.405 -1.122 1
1 801 . 14 1 1 A 65 65 ILE H H 107 8.944 8.585 0.359 1
1 802 . 14 1 1 A 65 65 ILE HA H 107 5.197 4.962 0.235 1
1 812 . 14 1 1 A 65 65 ILE C C 107 174.076 174.678 -0.602 1
1 813 . 14 1 1 A 65 65 ILE CA C 107 58.384 59.387 -1.003 1
1 814 . 14 1 1 A 65 65 ILE CB C 107 42.082 39.365 2.717 1
1 818 . 14 1 1 A 65 65 ILE N N 107 122.157 123.786 -1.629 1
1 819 . 14 1 1 A 66 66 GLU H H 108 7.762 8.645 -0.883 1
1 820 . 14 1 1 A 66 66 GLU HA H 108 5.801 5.502 0.299 1
1 825 . 14 1 1 A 66 66 GLU C C 108 176.789 175.764 1.025 1
1 826 . 14 1 1 A 66 66 GLU CA C 108 54.063 54.998 -0.935 1
1 827 . 14 1 1 A 66 66 GLU CB C 108 32.818 33.526 -0.708 1
1 829 . 14 1 1 A 66 66 GLU N N 108 119.473 121.139 -1.666 1
1 830 . 14 1 1 A 67 67 GLY H H 109 9.064 8.199 0.865 1
1 831 . 14 1 1 A 67 67 GLY HA2 H 109 4.773 4.210 0.563 1
1 832 . 14 1 1 A 67 67 GLY HA3 H 109 3.948 4.263 -0.315 1
1 833 . 14 1 1 A 67 67 GLY C C 109 170.431 172.022 -1.591 1
1 834 . 14 1 1 A 67 67 GLY CA C 109 46.598 46.016 0.582 1
1 835 . 14 1 1 A 67 67 GLY N N 109 112.366 109.748 2.618 1
1 836 . 14 1 1 A 68 68 GLY H H 110 7.116 7.535 -0.419 1
1 837 . 14 1 1 A 68 68 GLY HA2 H 110 3.949 4.141 -0.192 1
1 838 . 14 1 1 A 68 68 GLY HA3 H 110 3.732 4.151 -0.419 1
1 839 . 14 1 1 A 68 68 GLY C C 110 170.827 171.080 -0.253 1
1 840 . 14 1 1 A 68 68 GLY CA C 110 45.228 45.213 0.015 1
1 841 . 14 1 1 A 68 68 GLY N N 110 109.402 109.844 -0.442 1
1 842 . 14 1 1 A 69 69 LEU H H 111 8.542 8.609 -0.067 1
1 843 . 14 1 1 A 69 69 LEU HA H 111 4.546 4.755 -0.209 1
1 853 . 14 1 1 A 69 69 LEU C C 111 175.890 175.013 0.877 1
1 854 . 14 1 1 A 69 69 LEU CA C 111 54.400 53.638 0.762 1
1 855 . 14 1 1 A 69 69 LEU CB C 111 43.814 44.165 -0.351 1
1 859 . 14 1 1 A 69 69 LEU N N 111 122.808 122.389 0.419 1
1 860 . 14 1 1 A 70 70 ALA H H 112 8.889 8.527 0.362 1
1 861 . 14 1 1 A 70 70 ALA HA H 112 4.639 4.516 0.123 1
1 865 . 14 1 1 A 70 70 ALA C C 112 174.900 176.413 -1.513 1
1 866 . 14 1 1 A 70 70 ALA CA C 112 49.951 50.574 -0.623 1
1 867 . 14 1 1 A 70 70 ALA CB C 112 18.111 18.843 -0.732 1
1 868 . 14 1 1 A 70 70 ALA N N 112 130.675 129.909 0.766 1
1 869 . 14 1 1 A 71 71 PRO HA H 113 4.338 4.280 0.058 1
1 876 . 14 1 1 A 71 71 PRO C C 113 178.206 177.415 0.791 1
1 877 . 14 1 1 A 71 71 PRO CA C 113 64.055 63.729 0.326 1
1 878 . 14 1 1 A 71 71 PRO CB C 113 31.754 31.250 0.504 1
1 881 . 14 1 1 A 72 72 GLY H H 114 8.748 8.538 0.210 1
1 882 . 14 1 1 A 72 72 GLY HA2 H 114 4.165 3.999 0.166 1
1 883 . 14 1 1 A 72 72 GLY HA3 H 114 3.775 4.003 -0.228 1
1 884 . 14 1 1 A 72 72 GLY C C 114 174.200 174.605 -0.405 1
1 885 . 14 1 1 A 72 72 GLY CA C 114 45.602 45.483 0.119 1
1 886 . 14 1 1 A 72 72 GLY N N 114 111.945 112.862 -0.917 1
1 887 . 14 1 1 A 73 73 GLU H H 115 7.931 7.764 0.167 1
1 888 . 14 1 1 A 73 73 GLU HA H 115 4.581 4.440 0.141 1
1 893 . 14 1 1 A 73 73 GLU C C 115 175.843 176.240 -0.397 1
1 894 . 14 1 1 A 73 73 GLU CA C 115 55.732 55.872 -0.140 1
1 895 . 14 1 1 A 73 73 GLU CB C 115 31.128 29.940 1.188 1
1 897 . 14 1 1 A 73 73 GLU N N 115 118.591 120.787 -2.196 1
1 898 . 14 1 1 A 74 74 ASP H H 116 8.467 9.087 -0.620 1
1 899 . 14 1 1 A 74 74 ASP HA H 116 4.823 4.509 0.314 1
1 902 . 14 1 1 A 74 74 ASP C C 116 175.848 176.288 -0.440 1
1 903 . 14 1 1 A 74 74 ASP CA C 116 53.831 55.957 -2.126 1
1 904 . 14 1 1 A 74 74 ASP CB C 116 41.052 41.073 -0.021 1
1 905 . 14 1 1 A 74 74 ASP N N 116 118.021 126.266 -8.245 1
1 906 . 14 1 1 A 75 75 THR H H 117 7.301 7.666 -0.365 1
1 907 . 14 1 1 A 75 75 THR HA H 117 4.620 4.763 -0.143 1
1 912 . 14 1 1 A 75 75 THR C C 117 172.120 173.785 -1.665 1
1 913 . 14 1 1 A 75 75 THR CA C 117 61.907 61.893 0.014 1
1 914 . 14 1 1 A 75 75 THR CB C 117 71.398 70.065 1.333 1
1 916 . 14 1 1 A 75 75 THR N N 117 114.820 113.838 0.982 1
1 917 . 14 1 1 A 76 76 PHE H H 118 9.657 9.047 0.610 1
1 918 . 14 1 1 A 76 76 PHE HA H 118 4.290 4.611 -0.321 1
1 926 . 14 1 1 A 76 76 PHE C C 118 174.118 174.551 -0.433 1
1 927 . 14 1 1 A 76 76 PHE CA C 118 58.185 57.388 0.797 1
1 928 . 14 1 1 A 76 76 PHE CB C 118 40.718 39.533 1.185 1
1 934 . 14 1 1 A 76 76 PHE N N 118 130.378 129.104 1.274 1
1 935 . 14 1 1 A 77 77 LYS H H 119 8.364 8.175 0.189 1
1 936 . 14 1 1 A 77 77 LYS HA H 119 4.853 4.553 0.300 1
1 945 . 14 1 1 A 77 77 LYS C C 119 175.278 174.973 0.305 1
1 946 . 14 1 1 A 77 77 LYS CA C 119 55.282 55.655 -0.373 1
1 947 . 14 1 1 A 77 77 LYS CB C 119 31.319 32.254 -0.935 1
1 951 . 14 1 1 A 77 77 LYS N N 119 129.777 126.940 2.837 1
1 952 . 14 1 1 A 78 78 ALA H H 120 8.837 8.508 0.329 1
1 953 . 14 1 1 A 78 78 ALA HA H 120 4.828 4.858 -0.030 1
1 957 . 14 1 1 A 78 78 ALA C C 120 176.015 178.746 -2.731 1
1 958 . 14 1 1 A 78 78 ALA CA C 120 51.435 52.028 -0.593 1
1 959 . 14 1 1 A 78 78 ALA CB C 120 20.006 19.624 0.382 1
1 960 . 14 1 1 A 78 78 ALA N N 120 129.771 129.221 0.550 1
1 961 . 14 1 1 A 79 79 ARG H H 121 9.846 8.668 1.178 1
1 962 . 14 1 1 A 79 79 ARG HA H 121 4.582 4.226 0.356 1
1 970 . 14 1 1 A 79 79 ARG C C 121 176.651 176.404 0.247 1
1 971 . 14 1 1 A 79 79 ARG CA C 121 57.420 57.922 -0.502 1
1 972 . 14 1 1 A 79 79 ARG CB C 121 31.773 30.741 1.032 1
1 975 . 14 1 1 A 79 79 ARG N N 121 125.113 121.745 3.368 1
1 977 . 14 1 1 A 80 80 THR H H 122 7.938 7.883 0.055 1
1 978 . 14 1 1 A 80 80 THR HA H 122 4.921 5.134 -0.213 1
1 983 . 14 1 1 A 80 80 THR C C 122 172.002 172.725 -0.723 1
1 984 . 14 1 1 A 80 80 THR CA C 122 60.475 60.388 0.087 1
1 985 . 14 1 1 A 80 80 THR CB C 122 72.093 71.763 0.330 1
1 987 . 14 1 1 A 80 80 THR N N 122 109.595 109.554 0.041 1
1 988 . 14 1 1 A 81 81 LEU H H 123 8.196 8.795 -0.599 1
1 989 . 14 1 1 A 81 81 LEU HA H 123 4.701 4.837 -0.136 1
1 999 . 14 1 1 A 81 81 LEU C C 123 173.804 173.748 0.056 1
1 1000 . 14 1 1 A 81 81 LEU CA C 123 55.357 54.209 1.148 1
1 1001 . 14 1 1 A 81 81 LEU CB C 123 44.009 44.888 -0.879 1
1 1005 . 14 1 1 A 81 81 LEU N N 123 123.214 123.484 -0.270 1
1 1006 . 14 1 1 A 82 82 MET H H 124 8.700 8.877 -0.177 1
1 1007 . 14 1 1 A 82 82 MET HA H 124 4.841 5.033 -0.192 1
1 1015 . 14 1 1 A 82 82 MET C C 124 175.097 175.865 -0.768 1
1 1016 . 14 1 1 A 82 82 MET CA C 124 54.190 54.011 0.179 1
1 1017 . 14 1 1 A 82 82 MET CB C 124 36.191 35.497 0.694 1
1 1020 . 14 1 1 A 82 82 MET N N 124 124.452 126.991 -2.539 1
1 1021 . 14 1 1 A 83 83 THR H H 125 8.671 8.881 -0.210 1
1 1022 . 14 1 1 A 83 83 THR HA H 125 4.934 4.549 0.385 1
1 1027 . 14 1 1 A 83 83 THR C C 125 174.094 175.595 -1.501 1
1 1028 . 14 1 1 A 83 83 THR CA C 125 60.253 61.450 -1.197 1
1 1029 . 14 1 1 A 83 83 THR CB C 125 69.831 70.134 -0.303 1
1 1031 . 14 1 1 A 83 83 THR N N 125 113.070 116.430 -3.360 1
1 1032 . 14 1 1 A 84 84 LYS H H 126 8.419 8.845 -0.426 1
1 1033 . 14 1 1 A 84 84 LYS HA H 126 4.446 4.094 0.352 1
1 1042 . 14 1 1 A 84 84 LYS C C 126 175.461 176.841 -1.380 1
1 1043 . 14 1 1 A 84 84 LYS CA C 126 55.500 59.087 -3.587 1
1 1044 . 14 1 1 A 84 84 LYS CB C 126 33.736 32.424 1.312 1
1 1048 . 14 1 1 A 84 84 LYS N N 126 123.139 123.337 -0.198 1
1 1049 . 14 1 1 A 85 85 CYS H H 127 8.543 7.931 0.612 1
1 1050 . 14 1 1 A 85 85 CYS HA H 127 4.795 4.507 0.288 1
1 1053 . 14 1 1 A 85 85 CYS C C 127 172.809 173.359 -0.550 1
1 1054 . 14 1 1 A 85 85 CYS CA C 127 56.423 57.496 -1.073 1
1 1055 . 14 1 1 A 85 85 CYS CB C 127 27.739 28.210 -0.471 1
1 1056 . 14 1 1 A 85 85 CYS N N 127 123.709 117.264 6.445 1
1 1057 . 14 1 1 A 86 86 PRO HA H 128 4.439 4.777 -0.338 1
1 1064 . 14 1 1 A 86 86 PRO C C 128 176.560 176.081 0.479 1
1 1065 . 14 1 1 A 86 86 PRO CA C 128 63.292 62.350 0.942 1
1 1066 . 14 1 1 A 86 86 PRO CB C 128 32.165 32.065 0.100 1
1 1069 . 14 1 1 A 87 87 LEU H H 129 8.274 8.729 -0.455 1
1 1070 . 14 1 1 A 87 87 LEU HA H 129 4.256 4.568 -0.312 1
1 1080 . 14 1 1 A 87 87 LEU C C 129 177.141 175.867 1.274 1
1 1081 . 14 1 1 A 87 87 LEU CA C 129 55.281 53.927 1.354 1
1 1082 . 14 1 1 A 87 87 LEU CB C 129 42.299 43.510 -1.211 1
1 1086 . 14 1 1 A 87 87 LEU N N 129 122.188 123.260 -1.072 1
1 1 . 15 1 1 A 2 2 ALA HA H 44 4.214 4.414 -0.200 1
1 5 . 15 1 1 A 2 2 ALA C C 44 173.758 176.958 -3.200 1
1 6 . 15 1 1 A 2 2 ALA CA C 44 51.848 52.007 -0.159 1
1 7 . 15 1 1 A 2 2 ALA CB C 44 19.505 20.311 -0.806 1
1 8 . 15 1 1 A 3 3 THR H H 45 8.709 8.585 0.124 1
1 9 . 15 1 1 A 3 3 THR HA H 45 4.694 4.962 -0.268 1
1 14 . 15 1 1 A 3 3 THR CA C 45 60.191 58.942 1.249 1
1 15 . 15 1 1 A 3 3 THR CB C 45 69.815 70.099 -0.284 1
1 17 . 15 1 1 A 3 3 THR N N 45 116.649 114.539 2.110 1
1 18 . 15 1 1 A 4 4 PRO HA H 46 4.412 4.845 -0.433 1
1 25 . 15 1 1 A 4 4 PRO C C 46 177.212 177.108 0.104 1
1 26 . 15 1 1 A 4 4 PRO CA C 46 63.698 62.459 1.239 1
1 27 . 15 1 1 A 4 4 PRO CB C 46 32.117 31.918 0.199 1
1 30 . 15 1 1 A 5 5 GLN H H 47 8.463 8.292 0.171 1
1 31 . 15 1 1 A 5 5 GLN HA H 47 4.260 4.379 -0.119 1
1 38 . 15 1 1 A 5 5 GLN C C 47 176.073 175.222 0.851 1
1 39 . 15 1 1 A 5 5 GLN CA C 47 56.328 54.634 1.694 1
1 40 . 15 1 1 A 5 5 GLN CB C 47 29.286 29.359 -0.073 1
1 43 . 15 1 1 A 5 5 GLN N N 47 119.945 118.409 1.536 1
1 45 . 15 1 1 A 6 6 ASP H H 48 8.276 8.677 -0.401 1
1 46 . 15 1 1 A 6 6 ASP HA H 48 4.558 4.622 -0.064 1
1 49 . 15 1 1 A 6 6 ASP C C 48 176.454 177.819 -1.365 1
1 50 . 15 1 1 A 6 6 ASP CA C 48 54.538 54.646 -0.108 1
1 51 . 15 1 1 A 6 6 ASP CB C 48 40.873 41.368 -0.495 1
1 52 . 15 1 1 A 6 6 ASP N N 48 120.974 120.335 0.639 1
1 53 . 15 1 1 A 7 7 LYS H H 49 8.218 8.644 -0.426 1
1 54 . 15 1 1 A 7 7 LYS HA H 49 4.264 4.111 0.153 1
1 63 . 15 1 1 A 7 7 LYS C C 49 176.665 176.980 -0.315 1
1 64 . 15 1 1 A 7 7 LYS CA C 49 56.655 58.367 -1.712 1
1 65 . 15 1 1 A 7 7 LYS CB C 49 32.837 31.851 0.986 1
1 69 . 15 1 1 A 7 7 LYS N N 49 120.950 122.841 -1.891 1
1 70 . 15 1 1 A 8 8 LEU H H 50 8.010 7.385 0.625 1
1 71 . 15 1 1 A 8 8 LEU HA H 50 4.279 4.402 -0.123 1
1 81 . 15 1 1 A 8 8 LEU C C 50 177.110 174.515 2.595 1
1 82 . 15 1 1 A 8 8 LEU CA C 50 55.353 54.293 1.060 1
1 83 . 15 1 1 A 8 8 LEU CB C 50 42.302 39.191 3.111 1
1 87 . 15 1 1 A 8 8 LEU N N 50 121.105 119.642 1.463 1
1 88 . 15 1 1 A 9 9 HIS H H 51 8.411 7.572 0.839 1
1 89 . 15 1 1 A 9 9 HIS HA H 51 4.780 4.941 -0.161 1
1 92 . 15 1 1 A 9 9 HIS C C 51 174.285 173.396 0.889 1
1 93 . 15 1 1 A 9 9 HIS CA C 51 55.320 54.623 0.697 1
1 94 . 15 1 1 A 9 9 HIS CB C 51 28.827 33.471 -4.644 1
1 95 . 15 1 1 A 9 9 HIS N N 51 119.035 118.949 0.086 1
1 96 . 15 1 1 A 10 10 THR H H 52 8.178 9.007 -0.829 1
1 97 . 15 1 1 A 10 10 THR HA H 52 4.488 5.488 -1.000 1
1 102 . 15 1 1 A 10 10 THR C C 52 173.766 173.638 0.128 1
1 103 . 15 1 1 A 10 10 THR CA C 52 62.392 60.566 1.826 1
1 104 . 15 1 1 A 10 10 THR CB C 52 70.104 70.499 -0.395 1
1 106 . 15 1 1 A 10 10 THR N N 52 117.285 113.176 4.109 1
1 107 . 15 1 1 A 11 11 VAL H H 53 9.088 9.248 -0.160 1
1 108 . 15 1 1 A 11 11 VAL HA H 53 4.464 4.632 -0.168 1
1 116 . 15 1 1 A 11 11 VAL C C 53 174.048 174.562 -0.514 1
1 117 . 15 1 1 A 11 11 VAL CA C 53 61.359 61.592 -0.233 1
1 118 . 15 1 1 A 11 11 VAL CB C 53 34.602 32.959 1.643 1
1 121 . 15 1 1 A 11 11 VAL N N 53 123.969 127.111 -3.142 1
1 122 . 15 1 1 A 12 12 ARG H H 54 8.386 9.027 -0.641 1
1 123 . 15 1 1 A 12 12 ARG HA H 54 5.495 4.871 0.624 1
1 131 . 15 1 1 A 12 12 ARG C C 54 175.364 175.308 0.056 1
1 132 . 15 1 1 A 12 12 ARG CA C 54 54.401 55.305 -0.904 1
1 133 . 15 1 1 A 12 12 ARG CB C 54 32.753 31.470 1.283 1
1 136 . 15 1 1 A 12 12 ARG N N 54 125.294 128.668 -3.374 1
1 138 . 15 1 1 A 13 13 LEU H H 55 8.828 8.596 0.232 1
1 139 . 15 1 1 A 13 13 LEU HA H 55 4.726 5.224 -0.498 1
1 149 . 15 1 1 A 13 13 LEU C C 55 174.223 174.283 -0.060 1
1 150 . 15 1 1 A 13 13 LEU CA C 55 53.309 53.151 0.158 1
1 151 . 15 1 1 A 13 13 LEU CB C 55 45.884 45.972 -0.088 1
1 155 . 15 1 1 A 13 13 LEU N N 55 124.874 127.858 -2.984 1
1 156 . 15 1 1 A 14 14 PHE H H 56 8.195 9.176 -0.981 1
1 157 . 15 1 1 A 14 14 PHE HA H 56 5.576 5.399 0.177 1
1 165 . 15 1 1 A 14 14 PHE C C 56 175.266 175.109 0.157 1
1 166 . 15 1 1 A 14 14 PHE CA C 56 55.009 55.763 -0.754 1
1 167 . 15 1 1 A 14 14 PHE CB C 56 42.340 42.750 -0.410 1
1 173 . 15 1 1 A 14 14 PHE N N 56 118.334 124.732 -6.398 1
1 174 . 15 1 1 A 15 15 GLY H H 57 8.134 8.089 0.045 1
1 175 . 15 1 1 A 15 15 GLY HA2 H 57 4.229 4.233 -0.004 1
1 176 . 15 1 1 A 15 15 GLY HA3 H 57 4.004 4.245 -0.241 1
1 177 . 15 1 1 A 15 15 GLY C C 57 171.108 171.641 -0.533 1
1 178 . 15 1 1 A 15 15 GLY CA C 57 45.857 45.983 -0.126 1
1 179 . 15 1 1 A 15 15 GLY N N 57 109.159 108.649 0.510 1
1 180 . 15 1 1 A 16 16 THR H H 58 8.595 8.354 0.241 1
1 181 . 15 1 1 A 16 16 THR HA H 58 5.114 5.169 -0.055 1
1 186 . 15 1 1 A 16 16 THR C C 58 174.484 173.419 1.065 1
1 187 . 15 1 1 A 16 16 THR CA C 58 60.591 61.283 -0.692 1
1 188 . 15 1 1 A 16 16 THR CB C 58 71.164 71.631 -0.467 1
1 190 . 15 1 1 A 16 16 THR N N 58 113.580 115.877 -2.297 1
1 191 . 15 1 1 A 17 17 VAL H H 59 8.053 8.621 -0.568 1
1 192 . 15 1 1 A 17 17 VAL HA H 59 3.876 4.367 -0.491 1
1 200 . 15 1 1 A 17 17 VAL C C 59 176.315 175.919 0.396 1
1 201 . 15 1 1 A 17 17 VAL CA C 59 63.549 62.315 1.234 1
1 202 . 15 1 1 A 17 17 VAL CB C 59 32.779 31.944 0.835 1
1 205 . 15 1 1 A 17 17 VAL N N 59 124.410 127.000 -2.590 1
1 206 . 15 1 1 A 18 18 ALA H H 60 8.931 8.540 0.391 1
1 207 . 15 1 1 A 18 18 ALA HA H 60 4.354 4.366 -0.012 1
1 211 . 15 1 1 A 18 18 ALA C C 60 177.293 177.984 -0.691 1
1 212 . 15 1 1 A 18 18 ALA CA C 60 52.138 51.866 0.272 1
1 213 . 15 1 1 A 18 18 ALA CB C 60 19.782 19.714 0.068 1
1 214 . 15 1 1 A 18 18 ALA N N 60 133.912 130.565 3.347 1
1 215 . 15 1 1 A 19 19 ALA H H 61 8.548 8.565 -0.017 1
1 216 . 15 1 1 A 19 19 ALA HA H 61 4.105 4.160 -0.055 1
1 220 . 15 1 1 A 19 19 ALA C C 61 178.793 176.365 2.428 1
1 221 . 15 1 1 A 19 19 ALA CA C 61 54.218 52.986 1.232 1
1 222 . 15 1 1 A 19 19 ALA CB C 61 18.969 19.420 -0.451 1
1 223 . 15 1 1 A 19 19 ALA N N 61 121.667 121.384 0.283 1
1 224 . 15 1 1 A 20 20 ASP H H 62 8.117 7.998 0.119 1
1 225 . 15 1 1 A 20 20 ASP HA H 62 4.602 4.390 0.212 1
1 228 . 15 1 1 A 20 20 ASP C C 62 177.210 177.598 -0.388 1
1 229 . 15 1 1 A 20 20 ASP CA C 62 54.575 55.461 -0.886 1
1 230 . 15 1 1 A 20 20 ASP CB C 62 41.188 41.085 0.103 1
1 231 . 15 1 1 A 20 20 ASP N N 62 115.534 118.495 -2.961 1
1 232 . 15 1 1 A 21 21 GLY H H 63 8.996 8.882 0.114 1
1 233 . 15 1 1 A 21 21 GLY HA2 H 63 4.311 4.127 0.184 1
1 234 . 15 1 1 A 21 21 GLY HA3 H 63 3.888 4.304 -0.416 1
1 235 . 15 1 1 A 21 21 GLY C C 63 173.384 174.335 -0.951 1
1 236 . 15 1 1 A 21 21 GLY CA C 63 46.124 45.884 0.240 1
1 237 . 15 1 1 A 21 21 GLY N N 63 112.754 114.156 -1.402 1
1 238 . 15 1 1 A 22 22 LEU H H 64 7.380 7.908 -0.528 1
1 239 . 15 1 1 A 22 22 LEU HA H 64 4.964 4.726 0.238 1
1 249 . 15 1 1 A 22 22 LEU C C 64 178.011 175.436 2.575 1
1 250 . 15 1 1 A 22 22 LEU CA C 64 57.159 54.904 2.255 1
1 251 . 15 1 1 A 22 22 LEU CB C 64 42.160 42.462 -0.302 1
1 255 . 15 1 1 A 22 22 LEU N N 64 123.991 123.521 0.470 1
1 256 . 15 1 1 A 23 23 THR H H 65 9.752 9.372 0.380 1
1 257 . 15 1 1 A 23 23 THR HA H 65 4.755 4.949 -0.194 1
1 262 . 15 1 1 A 23 23 THR C C 65 173.249 173.609 -0.360 1
1 263 . 15 1 1 A 23 23 THR CA C 65 61.231 62.313 -1.082 1
1 264 . 15 1 1 A 23 23 THR CB C 65 71.995 70.025 1.970 1
1 266 . 15 1 1 A 23 23 THR N N 65 124.024 124.100 -0.076 1
1 267 . 15 1 1 A 24 24 MET H H 66 8.881 8.643 0.238 1
1 268 . 15 1 1 A 24 24 MET HA H 66 5.019 4.952 0.067 1
1 276 . 15 1 1 A 24 24 MET C C 66 176.750 176.245 0.505 1
1 277 . 15 1 1 A 24 24 MET CA C 66 54.452 53.992 0.460 1
1 278 . 15 1 1 A 24 24 MET CB C 66 31.809 32.910 -1.101 1
1 281 . 15 1 1 A 24 24 MET N N 66 125.215 126.852 -1.637 1
1 282 . 15 1 1 A 25 25 LEU H H 67 8.037 8.326 -0.289 1
1 283 . 15 1 1 A 25 25 LEU HA H 67 4.253 4.252 0.001 1
1 293 . 15 1 1 A 25 25 LEU C C 67 176.617 176.525 0.092 1
1 294 . 15 1 1 A 25 25 LEU CA C 67 55.259 55.245 0.014 1
1 295 . 15 1 1 A 25 25 LEU CB C 67 41.019 42.185 -1.166 1
1 299 . 15 1 1 A 25 25 LEU N N 67 123.282 124.127 -0.845 1
1 300 . 15 1 1 A 26 26 ASP H H 68 8.419 8.720 -0.301 1
1 301 . 15 1 1 A 26 26 ASP HA H 68 4.695 4.936 -0.241 1
1 304 . 15 1 1 A 26 26 ASP C C 68 176.728 176.840 -0.112 1
1 305 . 15 1 1 A 26 26 ASP CA C 68 53.907 54.679 -0.772 1
1 306 . 15 1 1 A 26 26 ASP CB C 68 41.338 41.020 0.318 1
1 307 . 15 1 1 A 26 26 ASP N N 68 120.434 124.670 -4.236 1
1 308 . 15 1 1 A 27 27 GLY H H 69 8.607 8.844 -0.237 1
1 309 . 15 1 1 A 27 27 GLY HA2 H 69 4.055 3.984 0.071 1
1 310 . 15 1 1 A 27 27 GLY HA3 H 69 3.665 3.986 -0.321 1
1 311 . 15 1 1 A 27 27 GLY C C 69 173.151 173.781 -0.630 1
1 312 . 15 1 1 A 27 27 GLY CA C 69 45.895 45.079 0.816 1
1 313 . 15 1 1 A 27 27 GLY N N 69 112.545 112.813 -0.268 1
1 314 . 15 1 1 A 28 28 ALA H H 70 7.634 7.607 0.027 1
1 315 . 15 1 1 A 28 28 ALA HA H 70 4.575 4.587 -0.012 1
1 319 . 15 1 1 A 28 28 ALA C C 70 174.090 176.772 -2.682 1
1 320 . 15 1 1 A 28 28 ALA CA C 70 50.137 49.427 0.710 1
1 321 . 15 1 1 A 28 28 ALA CB C 70 19.221 20.149 -0.928 1
1 322 . 15 1 1 A 28 28 ALA N N 70 125.545 123.732 1.813 1
1 323 . 15 1 1 A 29 29 PRO HA H 71 4.462 4.515 -0.053 1
1 330 . 15 1 1 A 29 29 PRO C C 71 176.671 176.389 0.282 1
1 331 . 15 1 1 A 29 29 PRO CA C 71 63.021 63.624 -0.603 1
1 332 . 15 1 1 A 29 29 PRO CB C 71 32.015 31.818 0.197 1
1 335 . 15 1 1 A 30 30 GLY H H 72 7.988 7.959 0.029 1
1 336 . 15 1 1 A 30 30 GLY HA2 H 72 5.001 3.911 1.090 1
1 337 . 15 1 1 A 30 30 GLY HA3 H 72 3.991 3.951 0.040 1
1 338 . 15 1 1 A 30 30 GLY C C 72 172.906 172.691 0.215 1
1 339 . 15 1 1 A 30 30 GLY CA C 72 45.642 44.069 1.573 1
1 340 . 15 1 1 A 30 30 GLY N N 72 109.355 109.280 0.075 1
1 341 . 15 1 1 A 31 31 VAL H H 73 9.332 8.439 0.893 1
1 342 . 15 1 1 A 31 31 VAL HA H 73 5.194 4.942 0.252 1
1 350 . 15 1 1 A 31 31 VAL C C 73 171.443 173.026 -1.583 1
1 351 . 15 1 1 A 31 31 VAL CA C 73 60.233 59.631 0.602 1
1 352 . 15 1 1 A 31 31 VAL CB C 73 35.471 35.643 -0.172 1
1 355 . 15 1 1 A 31 31 VAL N N 73 116.539 118.573 -2.034 1
1 356 . 15 1 1 A 32 32 ARG H H 74 8.956 8.966 -0.010 1
1 357 . 15 1 1 A 32 32 ARG HA H 74 5.999 5.751 0.248 1
1 365 . 15 1 1 A 32 32 ARG C C 74 174.581 174.910 -0.329 1
1 366 . 15 1 1 A 32 32 ARG CA C 74 54.187 54.362 -0.175 1
1 367 . 15 1 1 A 32 32 ARG CB C 74 33.463 33.924 -0.461 1
1 370 . 15 1 1 A 32 32 ARG N N 74 127.557 128.139 -0.582 1
1 372 . 15 1 1 A 33 33 PHE H H 75 9.262 8.530 0.732 1
1 373 . 15 1 1 A 33 33 PHE HA H 75 5.461 5.365 0.096 1
1 381 . 15 1 1 A 33 33 PHE C C 75 171.210 172.746 -1.536 1
1 382 . 15 1 1 A 33 33 PHE CA C 75 55.947 55.918 0.029 1
1 383 . 15 1 1 A 33 33 PHE CB C 75 41.151 41.314 -0.163 1
1 389 . 15 1 1 A 33 33 PHE N N 75 120.514 120.779 -0.265 1
1 390 . 15 1 1 A 34 34 ARG H H 76 9.921 8.787 1.134 1
1 391 . 15 1 1 A 34 34 ARG HA H 76 4.368 4.792 -0.424 1
1 399 . 15 1 1 A 34 34 ARG C C 76 173.994 174.646 -0.652 1
1 400 . 15 1 1 A 34 34 ARG CA C 76 54.594 54.601 -0.007 1
1 401 . 15 1 1 A 34 34 ARG CB C 76 31.539 31.135 0.404 1
1 404 . 15 1 1 A 34 34 ARG N N 76 122.011 118.839 3.172 1
1 406 . 15 1 1 A 35 35 LEU H H 77 8.781 8.783 -0.002 1
1 407 . 15 1 1 A 35 35 LEU HA H 77 4.755 4.843 -0.088 1
1 417 . 15 1 1 A 35 35 LEU C C 77 176.305 176.043 0.262 1
1 418 . 15 1 1 A 35 35 LEU CA C 77 53.188 55.016 -1.828 1
1 419 . 15 1 1 A 35 35 LEU CB C 77 44.689 43.320 1.369 1
1 423 . 15 1 1 A 35 35 LEU N N 77 127.038 126.602 0.436 1
1 424 . 15 1 1 A 36 36 GLU H H 78 9.342 8.649 0.693 1
1 425 . 15 1 1 A 36 36 GLU HA H 78 4.531 4.579 -0.048 1
1 430 . 15 1 1 A 36 36 GLU C C 78 175.380 175.773 -0.393 1
1 431 . 15 1 1 A 36 36 GLU CA C 78 54.829 56.132 -1.303 1
1 432 . 15 1 1 A 36 36 GLU CB C 78 29.842 30.455 -0.613 1
1 434 . 15 1 1 A 36 36 GLU N N 78 126.891 125.977 0.914 1
1 435 . 15 1 1 A 37 37 ASP H H 79 8.418 8.415 0.003 1
1 436 . 15 1 1 A 37 37 ASP HA H 79 4.630 4.616 0.014 1
1 439 . 15 1 1 A 37 37 ASP C C 79 176.623 176.002 0.621 1
1 440 . 15 1 1 A 37 37 ASP CA C 79 53.996 54.555 -0.559 1
1 441 . 15 1 1 A 37 37 ASP CB C 79 41.401 40.257 1.144 1
1 442 . 15 1 1 A 37 37 ASP N N 79 125.084 125.311 -0.227 1
1 443 . 15 1 1 A 38 38 LYS H H 80 8.691 8.610 0.081 1
1 444 . 15 1 1 A 38 38 LYS HA H 80 4.064 4.194 -0.130 1
1 453 . 15 1 1 A 38 38 LYS C C 80 176.779 178.392 -1.613 1
1 454 . 15 1 1 A 38 38 LYS CA C 80 57.994 58.739 -0.745 1
1 455 . 15 1 1 A 38 38 LYS CB C 80 32.404 32.217 0.187 1
1 459 . 15 1 1 A 38 38 LYS N N 80 124.179 124.609 -0.430 1
1 460 . 15 1 1 A 39 39 ASP H H 81 8.355 7.972 0.383 1
1 461 . 15 1 1 A 39 39 ASP HA H 81 4.591 4.437 0.154 1
1 464 . 15 1 1 A 39 39 ASP C C 81 175.682 176.607 -0.925 1
1 465 . 15 1 1 A 39 39 ASP CA C 81 54.888 56.577 -1.689 1
1 466 . 15 1 1 A 39 39 ASP CB C 81 41.040 41.071 -0.031 1
1 467 . 15 1 1 A 39 39 ASP N N 81 117.392 119.008 -1.616 1
1 468 . 15 1 1 A 40 40 ASN H H 82 7.954 7.590 0.364 1
1 469 . 15 1 1 A 40 40 ASN HA H 82 4.785 5.079 -0.294 1
1 474 . 15 1 1 A 40 40 ASN C C 82 175.435 173.545 1.890 1
1 475 . 15 1 1 A 40 40 ASN CA C 82 53.032 52.665 0.367 1
1 476 . 15 1 1 A 40 40 ASN CB C 82 38.471 39.655 -1.184 1
1 478 . 15 1 1 A 40 40 ASN N N 82 117.785 113.078 4.707 1
1 480 . 15 1 1 A 41 41 THR H H 83 8.518 9.077 -0.559 1
1 481 . 15 1 1 A 41 41 THR HA H 83 4.243 4.509 -0.266 1
1 486 . 15 1 1 A 41 41 THR C C 83 175.191 174.413 0.778 1
1 487 . 15 1 1 A 41 41 THR CA C 83 63.584 61.767 1.817 1
1 488 . 15 1 1 A 41 41 THR CB C 83 69.267 66.265 3.002 1
1 490 . 15 1 1 A 41 41 THR N N 83 114.265 120.165 -5.900 1
1 491 . 15 1 1 A 42 42 SER H H 84 8.179 8.587 -0.408 1
1 492 . 15 1 1 A 42 42 SER HA H 84 4.439 4.757 -0.318 1
1 495 . 15 1 1 A 42 42 SER C C 84 174.269 173.593 0.676 1
1 496 . 15 1 1 A 42 42 SER CA C 84 59.222 57.856 1.366 1
1 497 . 15 1 1 A 42 42 SER CB C 84 63.627 65.119 -1.492 1
1 498 . 15 1 1 A 42 42 SER N N 84 115.576 120.922 -5.346 1
1 499 . 15 1 1 A 43 43 LYS H H 85 7.911 7.570 0.341 1
1 500 . 15 1 1 A 43 43 LYS HA H 85 4.460 4.874 -0.414 1
1 509 . 15 1 1 A 43 43 LYS C C 85 175.440 174.846 0.594 1
1 510 . 15 1 1 A 43 43 LYS CA C 85 55.961 55.276 0.685 1
1 511 . 15 1 1 A 43 43 LYS CB C 85 33.032 37.453 -4.421 1
1 515 . 15 1 1 A 43 43 LYS N N 85 123.691 119.145 4.546 1
1 516 . 15 1 1 A 44 44 THR H H 86 8.165 8.659 -0.494 1
1 517 . 15 1 1 A 44 44 THR HA H 86 4.904 4.995 -0.091 1
1 522 . 15 1 1 A 44 44 THR C C 86 173.685 172.364 1.321 1
1 523 . 15 1 1 A 44 44 THR CA C 86 60.794 60.187 0.607 1
1 524 . 15 1 1 A 44 44 THR CB C 86 71.046 71.686 -0.640 1
1 526 . 15 1 1 A 44 44 THR N N 86 117.392 113.071 4.321 1
1 527 . 15 1 1 A 45 45 VAL H H 87 8.155 8.873 -0.718 1
1 528 . 15 1 1 A 45 45 VAL HA H 87 4.402 4.514 -0.112 1
1 536 . 15 1 1 A 45 45 VAL C C 87 174.343 175.217 -0.874 1
1 537 . 15 1 1 A 45 45 VAL CA C 87 60.551 61.132 -0.581 1
1 538 . 15 1 1 A 45 45 VAL CB C 87 35.225 33.387 1.838 1
1 541 . 15 1 1 A 45 45 VAL N N 87 123.105 123.983 -0.878 1
1 542 . 15 1 1 A 46 46 TRP H H 88 8.574 8.943 -0.369 1
1 543 . 15 1 1 A 46 46 TRP HA H 88 4.789 5.136 -0.347 1
1 552 . 15 1 1 A 46 46 TRP C C 88 175.287 176.372 -1.085 1
1 553 . 15 1 1 A 46 46 TRP CA C 88 57.716 57.026 0.690 1
1 554 . 15 1 1 A 46 46 TRP CB C 88 30.822 31.086 -0.264 1
1 560 . 15 1 1 A 46 46 TRP N N 88 126.326 128.799 -2.473 1
1 562 . 15 1 1 A 47 47 VAL H H 89 9.550 8.858 0.692 1
1 563 . 15 1 1 A 47 47 VAL HA H 89 4.884 5.090 -0.206 1
1 571 . 15 1 1 A 47 47 VAL C C 89 173.675 174.397 -0.722 1
1 572 . 15 1 1 A 47 47 VAL CA C 89 60.713 60.937 -0.224 1
1 573 . 15 1 1 A 47 47 VAL CB C 89 33.847 33.377 0.470 1
1 576 . 15 1 1 A 47 47 VAL N N 89 123.380 123.057 0.323 1
1 577 . 15 1 1 A 48 48 LEU H H 90 8.757 9.026 -0.269 1
1 578 . 15 1 1 A 48 48 LEU HA H 90 5.181 4.804 0.377 1
1 588 . 15 1 1 A 48 48 LEU C C 90 175.118 175.019 0.099 1
1 589 . 15 1 1 A 48 48 LEU CA C 90 53.567 53.596 -0.029 1
1 590 . 15 1 1 A 48 48 LEU CB C 90 45.758 42.942 2.816 1
1 594 . 15 1 1 A 48 48 LEU N N 90 125.653 129.851 -4.198 1
1 595 . 15 1 1 A 49 49 TYR H H 91 9.355 9.036 0.319 1
1 596 . 15 1 1 A 49 49 TYR HA H 91 5.196 4.935 0.261 1
1 603 . 15 1 1 A 49 49 TYR C C 91 172.437 174.157 -1.720 1
1 604 . 15 1 1 A 49 49 TYR CA C 91 56.490 56.913 -0.423 1
1 605 . 15 1 1 A 49 49 TYR CB C 91 41.602 39.011 2.591 1
1 610 . 15 1 1 A 49 49 TYR N N 91 129.351 128.820 0.531 1
1 611 . 15 1 1 A 50 50 LYS H H 92 7.805 8.353 -0.548 1
1 612 . 15 1 1 A 50 50 LYS HA H 92 4.450 4.545 -0.095 1
1 621 . 15 1 1 A 50 50 LYS C C 92 173.949 176.235 -2.286 1
1 622 . 15 1 1 A 50 50 LYS CA C 92 55.264 55.398 -0.134 1
1 623 . 15 1 1 A 50 50 LYS CB C 92 32.484 32.301 0.183 1
1 627 . 15 1 1 A 50 50 LYS N N 92 127.571 127.374 0.197 1
1 628 . 15 1 1 A 51 51 GLY H H 93 7.147 7.797 -0.650 1
1 629 . 15 1 1 A 51 51 GLY HA2 H 93 3.810 3.795 0.015 1
1 630 . 15 1 1 A 51 51 GLY HA3 H 93 3.609 4.020 -0.411 1
1 631 . 15 1 1 A 51 51 GLY C C 93 170.582 171.289 -0.707 1
1 632 . 15 1 1 A 51 51 GLY CA C 93 43.645 45.355 -1.710 1
1 633 . 15 1 1 A 51 51 GLY N N 93 111.723 110.229 1.494 1
1 634 . 15 1 1 A 52 52 ALA H H 94 8.185 8.175 0.010 1
1 635 . 15 1 1 A 52 52 ALA HA H 94 4.273 4.690 -0.417 1
1 639 . 15 1 1 A 52 52 ALA C C 94 178.775 176.669 2.106 1
1 640 . 15 1 1 A 52 52 ALA CA C 94 52.381 51.222 1.159 1
1 641 . 15 1 1 A 52 52 ALA CB C 94 18.392 19.864 -1.472 1
1 642 . 15 1 1 A 52 52 ALA N N 94 119.165 123.482 -4.317 1
1 643 . 15 1 1 A 53 53 VAL H H 95 8.967 8.518 0.449 1
1 644 . 15 1 1 A 53 53 VAL HA H 95 4.200 4.512 -0.312 1
1 652 . 15 1 1 A 53 53 VAL C C 95 174.416 174.880 -0.464 1
1 653 . 15 1 1 A 53 53 VAL CA C 95 60.028 60.433 -0.405 1
1 654 . 15 1 1 A 53 53 VAL CB C 95 32.712 32.055 0.657 1
1 657 . 15 1 1 A 53 53 VAL N N 95 127.597 124.147 3.450 1
1 658 . 15 1 1 A 54 54 PRO HA H 96 4.609 4.740 -0.131 1
1 665 . 15 1 1 A 54 54 PRO C C 96 177.752 177.137 0.615 1
1 666 . 15 1 1 A 54 54 PRO CA C 96 62.907 62.486 0.421 1
1 667 . 15 1 1 A 54 54 PRO CB C 96 32.850 32.999 -0.149 1
1 670 . 15 1 1 A 55 55 ASP H H 97 9.047 8.737 0.310 1
1 671 . 15 1 1 A 55 55 ASP HA H 97 4.459 4.370 0.089 1
1 674 . 15 1 1 A 55 55 ASP C C 97 176.541 178.398 -1.857 1
1 675 . 15 1 1 A 55 55 ASP CA C 97 56.434 56.602 -0.168 1
1 676 . 15 1 1 A 55 55 ASP CB C 97 39.845 40.305 -0.460 1
1 677 . 15 1 1 A 55 55 ASP N N 97 122.223 122.472 -0.249 1
1 678 . 15 1 1 A 56 56 THR H H 98 7.196 7.650 -0.454 1
1 679 . 15 1 1 A 56 56 THR HA H 98 4.105 4.236 -0.131 1
1 684 . 15 1 1 A 56 56 THR C C 98 174.743 174.973 -0.230 1
1 685 . 15 1 1 A 56 56 THR CA C 98 60.857 64.363 -3.506 1
1 686 . 15 1 1 A 56 56 THR CB C 98 69.227 68.743 0.484 1
1 688 . 15 1 1 A 56 56 THR N N 98 105.196 110.085 -4.889 1
1 689 . 15 1 1 A 57 57 PHE H H 99 7.766 7.565 0.201 1
1 690 . 15 1 1 A 57 57 PHE HA H 99 3.752 4.471 -0.719 1
1 698 . 15 1 1 A 57 57 PHE C C 99 172.629 174.417 -1.788 1
1 699 . 15 1 1 A 57 57 PHE CA C 99 60.570 59.167 1.403 1
1 700 . 15 1 1 A 57 57 PHE CB C 99 40.156 39.769 0.387 1
1 706 . 15 1 1 A 57 57 PHE N N 99 122.514 123.931 -1.417 1
1 707 . 15 1 1 A 58 58 LYS H H 100 6.468 8.187 -1.719 1
1 708 . 15 1 1 A 58 58 LYS HA H 100 4.409 4.565 -0.156 1
1 717 . 15 1 1 A 58 58 LYS C C 100 171.564 172.884 -1.320 1
1 718 . 15 1 1 A 58 58 LYS CA C 100 53.643 53.953 -0.310 1
1 719 . 15 1 1 A 58 58 LYS CB C 100 32.382 34.965 -2.583 1
1 723 . 15 1 1 A 58 58 LYS N N 100 125.478 123.289 2.189 1
1 724 . 15 1 1 A 59 59 PRO HA H 101 3.708 4.094 -0.386 1
1 731 . 15 1 1 A 59 59 PRO C C 101 176.868 177.621 -0.753 1
1 732 . 15 1 1 A 59 59 PRO CA C 101 63.881 63.536 0.345 1
1 733 . 15 1 1 A 59 59 PRO CB C 101 31.168 31.221 -0.053 1
1 736 . 15 1 1 A 60 60 GLY H H 102 9.269 8.318 0.951 1
1 737 . 15 1 1 A 60 60 GLY HA2 H 102 4.299 3.913 0.386 1
1 738 . 15 1 1 A 60 60 GLY HA3 H 102 3.502 3.918 -0.416 1
1 739 . 15 1 1 A 60 60 GLY C C 102 174.023 173.729 0.294 1
1 740 . 15 1 1 A 60 60 GLY CA C 102 45.005 46.403 -1.398 1
1 741 . 15 1 1 A 60 60 GLY N N 102 112.023 112.674 -0.651 1
1 742 . 15 1 1 A 61 61 VAL H H 103 7.321 7.482 -0.161 1
1 743 . 15 1 1 A 61 61 VAL HA H 103 4.279 4.804 -0.525 1
1 751 . 15 1 1 A 61 61 VAL C C 103 174.073 174.492 -0.419 1
1 752 . 15 1 1 A 61 61 VAL CA C 103 61.277 59.336 1.941 1
1 753 . 15 1 1 A 61 61 VAL CB C 103 32.882 35.244 -2.362 1
1 756 . 15 1 1 A 61 61 VAL N N 103 118.571 119.148 -0.577 1
1 757 . 15 1 1 A 62 62 GLU H H 104 8.204 8.675 -0.471 1
1 758 . 15 1 1 A 62 62 GLU HA H 104 4.946 4.496 0.450 1
1 763 . 15 1 1 A 62 62 GLU C C 104 176.252 176.740 -0.488 1
1 764 . 15 1 1 A 62 62 GLU CA C 104 55.398 56.642 -1.244 1
1 765 . 15 1 1 A 62 62 GLU CB C 104 30.129 29.961 0.168 1
1 767 . 15 1 1 A 62 62 GLU N N 104 123.214 126.987 -3.773 1
1 768 . 15 1 1 A 63 63 VAL H H 105 9.066 8.786 0.280 1
1 769 . 15 1 1 A 63 63 VAL HA H 105 5.297 4.861 0.436 1
1 777 . 15 1 1 A 63 63 VAL C C 105 173.913 174.557 -0.644 1
1 778 . 15 1 1 A 63 63 VAL CA C 105 58.284 59.025 -0.741 1
1 779 . 15 1 1 A 63 63 VAL CB C 105 36.265 35.847 0.418 1
1 782 . 15 1 1 A 63 63 VAL N N 105 115.526 118.209 -2.683 1
1 783 . 15 1 1 A 64 64 ILE H H 106 8.542 8.844 -0.302 1
1 784 . 15 1 1 A 64 64 ILE HA H 106 4.775 4.420 0.355 1
1 794 . 15 1 1 A 64 64 ILE C C 106 176.511 175.687 0.824 1
1 795 . 15 1 1 A 64 64 ILE CA C 106 60.804 60.019 0.785 1
1 796 . 15 1 1 A 64 64 ILE CB C 106 40.991 39.849 1.142 1
1 800 . 15 1 1 A 64 64 ILE N N 106 120.283 121.746 -1.463 1
1 801 . 15 1 1 A 65 65 ILE H H 107 8.944 8.610 0.334 1
1 802 . 15 1 1 A 65 65 ILE HA H 107 5.197 4.977 0.220 1
1 812 . 15 1 1 A 65 65 ILE C C 107 174.076 174.641 -0.565 1
1 813 . 15 1 1 A 65 65 ILE CA C 107 58.384 59.139 -0.755 1
1 814 . 15 1 1 A 65 65 ILE CB C 107 42.082 40.014 2.068 1
1 818 . 15 1 1 A 65 65 ILE N N 107 122.157 123.209 -1.052 1
1 819 . 15 1 1 A 66 66 GLU H H 108 7.762 8.717 -0.955 1
1 820 . 15 1 1 A 66 66 GLU HA H 108 5.801 5.564 0.237 1
1 825 . 15 1 1 A 66 66 GLU C C 108 176.789 175.491 1.298 1
1 826 . 15 1 1 A 66 66 GLU CA C 108 54.063 55.622 -1.559 1
1 827 . 15 1 1 A 66 66 GLU CB C 108 32.818 33.477 -0.659 1
1 829 . 15 1 1 A 66 66 GLU N N 108 119.473 122.176 -2.703 1
1 830 . 15 1 1 A 67 67 GLY H H 109 9.064 8.305 0.759 1
1 831 . 15 1 1 A 67 67 GLY HA2 H 109 4.773 4.215 0.558 1
1 832 . 15 1 1 A 67 67 GLY HA3 H 109 3.948 4.294 -0.346 1
1 833 . 15 1 1 A 67 67 GLY C C 109 170.431 172.260 -1.829 1
1 834 . 15 1 1 A 67 67 GLY CA C 109 46.598 46.205 0.393 1
1 835 . 15 1 1 A 67 67 GLY N N 109 112.366 111.890 0.476 1
1 836 . 15 1 1 A 68 68 GLY H H 110 7.116 7.635 -0.519 1
1 837 . 15 1 1 A 68 68 GLY HA2 H 110 3.949 4.133 -0.184 1
1 838 . 15 1 1 A 68 68 GLY HA3 H 110 3.732 4.163 -0.431 1
1 839 . 15 1 1 A 68 68 GLY C C 110 170.827 171.297 -0.470 1
1 840 . 15 1 1 A 68 68 GLY CA C 110 45.228 45.257 -0.029 1
1 841 . 15 1 1 A 68 68 GLY N N 110 109.402 110.398 -0.996 1
1 842 . 15 1 1 A 69 69 LEU H H 111 8.542 8.672 -0.130 1
1 843 . 15 1 1 A 69 69 LEU HA H 111 4.546 4.830 -0.284 1
1 853 . 15 1 1 A 69 69 LEU C C 111 175.890 175.015 0.875 1
1 854 . 15 1 1 A 69 69 LEU CA C 111 54.400 53.903 0.497 1
1 855 . 15 1 1 A 69 69 LEU CB C 111 43.814 45.797 -1.983 1
1 859 . 15 1 1 A 69 69 LEU N N 111 122.808 121.231 1.577 1
1 860 . 15 1 1 A 70 70 ALA H H 112 8.889 8.731 0.158 1
1 861 . 15 1 1 A 70 70 ALA HA H 112 4.639 4.595 0.044 1
1 865 . 15 1 1 A 70 70 ALA C C 112 174.900 175.994 -1.094 1
1 866 . 15 1 1 A 70 70 ALA CA C 112 49.951 50.631 -0.680 1
1 867 . 15 1 1 A 70 70 ALA CB C 112 18.111 18.242 -0.131 1
1 868 . 15 1 1 A 70 70 ALA N N 112 130.675 129.266 1.409 1
1 869 . 15 1 1 A 71 71 PRO HA H 113 4.338 4.297 0.041 1
1 876 . 15 1 1 A 71 71 PRO C C 113 178.206 177.561 0.645 1
1 877 . 15 1 1 A 71 71 PRO CA C 113 64.055 63.822 0.233 1
1 878 . 15 1 1 A 71 71 PRO CB C 113 31.754 31.331 0.423 1
1 881 . 15 1 1 A 72 72 GLY H H 114 8.748 8.929 -0.181 1
1 882 . 15 1 1 A 72 72 GLY HA2 H 114 4.165 3.917 0.248 1
1 883 . 15 1 1 A 72 72 GLY HA3 H 114 3.775 3.922 -0.147 1
1 884 . 15 1 1 A 72 72 GLY C C 114 174.200 174.281 -0.081 1
1 885 . 15 1 1 A 72 72 GLY CA C 114 45.602 45.090 0.512 1
1 886 . 15 1 1 A 72 72 GLY N N 114 111.945 112.808 -0.863 1
1 887 . 15 1 1 A 73 73 GLU H H 115 7.931 7.861 0.070 1
1 888 . 15 1 1 A 73 73 GLU HA H 115 4.581 4.562 0.019 1
1 893 . 15 1 1 A 73 73 GLU C C 115 175.843 176.368 -0.525 1
1 894 . 15 1 1 A 73 73 GLU CA C 115 55.732 55.585 0.147 1
1 895 . 15 1 1 A 73 73 GLU CB C 115 31.128 31.493 -0.365 1
1 897 . 15 1 1 A 73 73 GLU N N 115 118.591 121.238 -2.647 1
1 898 . 15 1 1 A 74 74 ASP H H 116 8.467 8.792 -0.325 1
1 899 . 15 1 1 A 74 74 ASP HA H 116 4.823 4.637 0.186 1
1 902 . 15 1 1 A 74 74 ASP C C 116 175.848 175.491 0.357 1
1 903 . 15 1 1 A 74 74 ASP CA C 116 53.831 55.239 -1.408 1
1 904 . 15 1 1 A 74 74 ASP CB C 116 41.052 41.971 -0.919 1
1 905 . 15 1 1 A 74 74 ASP N N 116 118.021 123.394 -5.373 1
1 906 . 15 1 1 A 75 75 THR H H 117 7.301 7.273 0.028 1
1 907 . 15 1 1 A 75 75 THR HA H 117 4.620 4.847 -0.227 1
1 912 . 15 1 1 A 75 75 THR C C 117 172.120 173.776 -1.656 1
1 913 . 15 1 1 A 75 75 THR CA C 117 61.907 61.354 0.553 1
1 914 . 15 1 1 A 75 75 THR CB C 117 71.398 69.646 1.752 1
1 916 . 15 1 1 A 75 75 THR N N 117 114.820 115.094 -0.274 1
1 917 . 15 1 1 A 76 76 PHE H H 118 9.657 9.069 0.588 1
1 918 . 15 1 1 A 76 76 PHE HA H 118 4.290 4.654 -0.364 1
1 926 . 15 1 1 A 76 76 PHE C C 118 174.118 174.789 -0.671 1
1 927 . 15 1 1 A 76 76 PHE CA C 118 58.185 57.350 0.835 1
1 928 . 15 1 1 A 76 76 PHE CB C 118 40.718 39.632 1.086 1
1 934 . 15 1 1 A 76 76 PHE N N 118 130.378 129.695 0.683 1
1 935 . 15 1 1 A 77 77 LYS H H 119 8.364 8.040 0.324 1
1 936 . 15 1 1 A 77 77 LYS HA H 119 4.853 4.783 0.070 1
1 945 . 15 1 1 A 77 77 LYS C C 119 175.278 175.453 -0.175 1
1 946 . 15 1 1 A 77 77 LYS CA C 119 55.282 55.375 -0.093 1
1 947 . 15 1 1 A 77 77 LYS CB C 119 31.319 32.468 -1.149 1
1 951 . 15 1 1 A 77 77 LYS N N 119 129.777 122.165 7.612 1
1 952 . 15 1 1 A 78 78 ALA H H 120 8.837 8.576 0.261 1
1 953 . 15 1 1 A 78 78 ALA HA H 120 4.828 4.601 0.227 1
1 957 . 15 1 1 A 78 78 ALA C C 120 176.015 177.698 -1.683 1
1 958 . 15 1 1 A 78 78 ALA CA C 120 51.435 52.356 -0.921 1
1 959 . 15 1 1 A 78 78 ALA CB C 120 20.006 19.419 0.587 1
1 960 . 15 1 1 A 78 78 ALA N N 120 129.771 128.817 0.954 1
1 961 . 15 1 1 A 79 79 ARG H H 121 9.846 8.787 1.059 1
1 962 . 15 1 1 A 79 79 ARG HA H 121 4.582 4.205 0.377 1
1 970 . 15 1 1 A 79 79 ARG C C 121 176.651 175.872 0.779 1
1 971 . 15 1 1 A 79 79 ARG CA C 121 57.420 58.233 -0.813 1
1 972 . 15 1 1 A 79 79 ARG CB C 121 31.773 31.043 0.730 1
1 975 . 15 1 1 A 79 79 ARG N N 121 125.113 124.445 0.668 1
1 977 . 15 1 1 A 80 80 THR H H 122 7.938 7.732 0.206 1
1 978 . 15 1 1 A 80 80 THR HA H 122 4.921 5.369 -0.448 1
1 983 . 15 1 1 A 80 80 THR C C 122 172.002 172.370 -0.368 1
1 984 . 15 1 1 A 80 80 THR CA C 122 60.475 61.363 -0.888 1
1 985 . 15 1 1 A 80 80 THR CB C 122 72.093 72.919 -0.826 1
1 987 . 15 1 1 A 80 80 THR N N 122 109.595 111.211 -1.616 1
1 988 . 15 1 1 A 81 81 LEU H H 123 8.196 8.932 -0.736 1
1 989 . 15 1 1 A 81 81 LEU HA H 123 4.701 4.749 -0.048 1
1 999 . 15 1 1 A 81 81 LEU C C 123 173.804 173.805 -0.001 1
1 1000 . 15 1 1 A 81 81 LEU CA C 123 55.357 53.573 1.784 1
1 1001 . 15 1 1 A 81 81 LEU CB C 123 44.009 44.263 -0.254 1
1 1005 . 15 1 1 A 81 81 LEU N N 123 123.214 127.634 -4.420 1
1 1006 . 15 1 1 A 82 82 MET H H 124 8.700 8.900 -0.200 1
1 1007 . 15 1 1 A 82 82 MET HA H 124 4.841 4.937 -0.096 1
1 1015 . 15 1 1 A 82 82 MET C C 124 175.097 175.058 0.039 1
1 1016 . 15 1 1 A 82 82 MET CA C 124 54.190 53.743 0.447 1
1 1017 . 15 1 1 A 82 82 MET CB C 124 36.191 34.633 1.558 1
1 1020 . 15 1 1 A 82 82 MET N N 124 124.452 127.630 -3.178 1
1 1021 . 15 1 1 A 83 83 THR H H 125 8.671 8.762 -0.091 1
1 1022 . 15 1 1 A 83 83 THR HA H 125 4.934 4.289 0.645 1
1 1027 . 15 1 1 A 83 83 THR C C 125 174.094 175.496 -1.402 1
1 1028 . 15 1 1 A 83 83 THR CA C 125 60.253 61.849 -1.596 1
1 1029 . 15 1 1 A 83 83 THR CB C 125 69.831 69.618 0.213 1
1 1031 . 15 1 1 A 83 83 THR N N 125 113.070 117.373 -4.303 1
1 1032 . 15 1 1 A 84 84 LYS H H 126 8.419 8.772 -0.353 1
1 1033 . 15 1 1 A 84 84 LYS HA H 126 4.446 4.185 0.261 1
1 1042 . 15 1 1 A 84 84 LYS C C 126 175.461 176.513 -1.052 1
1 1043 . 15 1 1 A 84 84 LYS CA C 126 55.500 58.039 -2.539 1
1 1044 . 15 1 1 A 84 84 LYS CB C 126 33.736 33.131 0.605 1
1 1048 . 15 1 1 A 84 84 LYS N N 126 123.139 125.001 -1.862 1
1 1049 . 15 1 1 A 85 85 CYS H H 127 8.543 7.546 0.997 1
1 1050 . 15 1 1 A 85 85 CYS HA H 127 4.795 4.702 0.093 1
1 1053 . 15 1 1 A 85 85 CYS C C 127 172.809 174.034 -1.225 1
1 1054 . 15 1 1 A 85 85 CYS CA C 127 56.423 55.926 0.497 1
1 1055 . 15 1 1 A 85 85 CYS CB C 127 27.739 28.110 -0.371 1
1 1056 . 15 1 1 A 85 85 CYS N N 127 123.709 117.528 6.181 1
1 1057 . 15 1 1 A 86 86 PRO HA H 128 4.439 4.413 0.026 1
1 1064 . 15 1 1 A 86 86 PRO C C 128 176.560 176.770 -0.210 1
1 1065 . 15 1 1 A 86 86 PRO CA C 128 63.292 65.863 -2.571 1
1 1066 . 15 1 1 A 86 86 PRO CB C 128 32.165 31.575 0.590 1
1 1069 . 15 1 1 A 87 87 LEU H H 129 8.274 7.796 0.478 1
1 1070 . 15 1 1 A 87 87 LEU HA H 129 4.256 4.509 -0.253 1
1 1080 . 15 1 1 A 87 87 LEU C C 129 177.141 175.845 1.296 1
1 1081 . 15 1 1 A 87 87 LEU CA C 129 55.281 54.213 1.068 1
1 1082 . 15 1 1 A 87 87 LEU CB C 129 42.299 43.842 -1.543 1
1 1086 . 15 1 1 A 87 87 LEU N N 129 122.188 116.554 5.634 1
1 1 . 16 1 1 A 2 2 ALA HA H 44 4.214 4.845 -0.631 1
1 5 . 16 1 1 A 2 2 ALA C C 44 173.758 176.693 -2.935 1
1 6 . 16 1 1 A 2 2 ALA CA C 44 51.848 50.733 1.115 1
1 7 . 16 1 1 A 2 2 ALA CB C 44 19.505 20.278 -0.773 1
1 8 . 16 1 1 A 3 3 THR H H 45 8.709 8.695 0.014 1
1 9 . 16 1 1 A 3 3 THR HA H 45 4.694 4.608 0.086 1
1 14 . 16 1 1 A 3 3 THR CA C 45 60.191 60.227 -0.036 1
1 15 . 16 1 1 A 3 3 THR CB C 45 69.815 69.169 0.646 1
1 17 . 16 1 1 A 3 3 THR N N 45 116.649 116.932 -0.283 1
1 18 . 16 1 1 A 4 4 PRO HA H 46 4.412 4.579 -0.167 1
1 25 . 16 1 1 A 4 4 PRO C C 46 177.212 175.989 1.223 1
1 26 . 16 1 1 A 4 4 PRO CA C 46 63.698 62.701 0.997 1
1 27 . 16 1 1 A 4 4 PRO CB C 46 32.117 31.326 0.791 1
1 30 . 16 1 1 A 5 5 GLN H H 47 8.463 8.724 -0.261 1
1 31 . 16 1 1 A 5 5 GLN HA H 47 4.260 4.901 -0.641 1
1 38 . 16 1 1 A 5 5 GLN C C 47 176.073 174.774 1.299 1
1 39 . 16 1 1 A 5 5 GLN CA C 47 56.328 54.171 2.157 1
1 40 . 16 1 1 A 5 5 GLN CB C 47 29.286 32.562 -3.276 1
1 43 . 16 1 1 A 5 5 GLN N N 47 119.945 123.674 -3.729 1
1 45 . 16 1 1 A 6 6 ASP H H 48 8.276 8.977 -0.701 1
1 46 . 16 1 1 A 6 6 ASP HA H 48 4.558 4.731 -0.173 1
1 49 . 16 1 1 A 6 6 ASP C C 48 176.454 176.057 0.397 1
1 50 . 16 1 1 A 6 6 ASP CA C 48 54.538 53.334 1.204 1
1 51 . 16 1 1 A 6 6 ASP CB C 48 40.873 39.808 1.065 1
1 52 . 16 1 1 A 6 6 ASP N N 48 120.974 123.633 -2.659 1
1 53 . 16 1 1 A 7 7 LYS H H 49 8.218 8.315 -0.097 1
1 54 . 16 1 1 A 7 7 LYS HA H 49 4.264 4.441 -0.177 1
1 63 . 16 1 1 A 7 7 LYS C C 49 176.665 176.420 0.245 1
1 64 . 16 1 1 A 7 7 LYS CA C 49 56.655 56.493 0.162 1
1 65 . 16 1 1 A 7 7 LYS CB C 49 32.837 32.725 0.112 1
1 69 . 16 1 1 A 7 7 LYS N N 49 120.950 123.616 -2.666 1
1 70 . 16 1 1 A 8 8 LEU H H 50 8.010 7.598 0.412 1
1 71 . 16 1 1 A 8 8 LEU HA H 50 4.279 4.515 -0.236 1
1 81 . 16 1 1 A 8 8 LEU C C 50 177.110 177.618 -0.508 1
1 82 . 16 1 1 A 8 8 LEU CA C 50 55.353 54.030 1.323 1
1 83 . 16 1 1 A 8 8 LEU CB C 50 42.302 39.852 2.450 1
1 87 . 16 1 1 A 8 8 LEU N N 50 121.105 121.892 -0.787 1
1 88 . 16 1 1 A 9 9 HIS H H 51 8.411 7.614 0.797 1
1 89 . 16 1 1 A 9 9 HIS HA H 51 4.780 4.559 0.221 1
1 92 . 16 1 1 A 9 9 HIS C C 51 174.285 174.692 -0.407 1
1 93 . 16 1 1 A 9 9 HIS CA C 51 55.320 56.273 -0.953 1
1 94 . 16 1 1 A 9 9 HIS CB C 51 28.827 30.296 -1.469 1
1 95 . 16 1 1 A 9 9 HIS N N 51 119.035 119.646 -0.611 1
1 96 . 16 1 1 A 10 10 THR H H 52 8.178 7.334 0.844 1
1 97 . 16 1 1 A 10 10 THR HA H 52 4.488 4.987 -0.499 1
1 102 . 16 1 1 A 10 10 THR C C 52 173.766 172.955 0.811 1
1 103 . 16 1 1 A 10 10 THR CA C 52 62.392 61.598 0.794 1
1 104 . 16 1 1 A 10 10 THR CB C 52 70.104 71.948 -1.844 1
1 106 . 16 1 1 A 10 10 THR N N 52 117.285 113.841 3.444 1
1 107 . 16 1 1 A 11 11 VAL H H 53 9.088 8.952 0.136 1
1 108 . 16 1 1 A 11 11 VAL HA H 53 4.464 4.707 -0.243 1
1 116 . 16 1 1 A 11 11 VAL C C 53 174.048 175.141 -1.093 1
1 117 . 16 1 1 A 11 11 VAL CA C 53 61.359 60.917 0.442 1
1 118 . 16 1 1 A 11 11 VAL CB C 53 34.602 34.329 0.273 1
1 121 . 16 1 1 A 11 11 VAL N N 53 123.969 126.298 -2.329 1
1 122 . 16 1 1 A 12 12 ARG H H 54 8.386 8.840 -0.454 1
1 123 . 16 1 1 A 12 12 ARG HA H 54 5.495 5.231 0.264 1
1 131 . 16 1 1 A 12 12 ARG C C 54 175.364 174.680 0.684 1
1 132 . 16 1 1 A 12 12 ARG CA C 54 54.401 55.034 -0.633 1
1 133 . 16 1 1 A 12 12 ARG CB C 54 32.753 32.686 0.067 1
1 136 . 16 1 1 A 12 12 ARG N N 54 125.294 127.016 -1.722 1
1 138 . 16 1 1 A 13 13 LEU H H 55 8.828 8.251 0.577 1
1 139 . 16 1 1 A 13 13 LEU HA H 55 4.726 4.491 0.235 1
1 149 . 16 1 1 A 13 13 LEU C C 55 174.223 173.802 0.421 1
1 150 . 16 1 1 A 13 13 LEU CA C 55 53.309 52.954 0.355 1
1 151 . 16 1 1 A 13 13 LEU CB C 55 45.884 45.140 0.744 1
1 155 . 16 1 1 A 13 13 LEU N N 55 124.874 123.427 1.447 1
1 156 . 16 1 1 A 14 14 PHE H H 56 8.195 8.640 -0.445 1
1 157 . 16 1 1 A 14 14 PHE HA H 56 5.576 5.245 0.331 1
1 165 . 16 1 1 A 14 14 PHE C C 56 175.266 175.708 -0.442 1
1 166 . 16 1 1 A 14 14 PHE CA C 56 55.009 55.511 -0.502 1
1 167 . 16 1 1 A 14 14 PHE CB C 56 42.340 40.748 1.592 1
1 173 . 16 1 1 A 14 14 PHE N N 56 118.334 125.510 -7.176 1
1 174 . 16 1 1 A 15 15 GLY H H 57 8.134 8.246 -0.112 1
1 175 . 16 1 1 A 15 15 GLY HA2 H 57 4.229 4.261 -0.032 1
1 176 . 16 1 1 A 15 15 GLY HA3 H 57 4.004 4.290 -0.286 1
1 177 . 16 1 1 A 15 15 GLY C C 57 171.108 171.975 -0.867 1
1 178 . 16 1 1 A 15 15 GLY CA C 57 45.857 45.510 0.347 1
1 179 . 16 1 1 A 15 15 GLY N N 57 109.159 110.390 -1.231 1
1 180 . 16 1 1 A 16 16 THR H H 58 8.595 7.985 0.610 1
1 181 . 16 1 1 A 16 16 THR HA H 58 5.114 5.109 0.005 1
1 186 . 16 1 1 A 16 16 THR C C 58 174.484 173.421 1.063 1
1 187 . 16 1 1 A 16 16 THR CA C 58 60.591 61.253 -0.662 1
1 188 . 16 1 1 A 16 16 THR CB C 58 71.164 71.795 -0.631 1
1 190 . 16 1 1 A 16 16 THR N N 58 113.580 115.338 -1.758 1
1 191 . 16 1 1 A 17 17 VAL H H 59 8.053 8.669 -0.616 1
1 192 . 16 1 1 A 17 17 VAL HA H 59 3.876 4.271 -0.395 1
1 200 . 16 1 1 A 17 17 VAL C C 59 176.315 175.988 0.327 1
1 201 . 16 1 1 A 17 17 VAL CA C 59 63.549 62.577 0.972 1
1 202 . 16 1 1 A 17 17 VAL CB C 59 32.779 31.768 1.011 1
1 205 . 16 1 1 A 17 17 VAL N N 59 124.410 126.621 -2.211 1
1 206 . 16 1 1 A 18 18 ALA H H 60 8.931 8.377 0.554 1
1 207 . 16 1 1 A 18 18 ALA HA H 60 4.354 4.335 0.019 1
1 211 . 16 1 1 A 18 18 ALA C C 60 177.293 177.768 -0.475 1
1 212 . 16 1 1 A 18 18 ALA CA C 60 52.138 52.083 0.055 1
1 213 . 16 1 1 A 18 18 ALA CB C 60 19.782 19.411 0.371 1
1 214 . 16 1 1 A 18 18 ALA N N 60 133.912 130.792 3.120 1
1 215 . 16 1 1 A 19 19 ALA H H 61 8.548 8.577 -0.029 1
1 216 . 16 1 1 A 19 19 ALA HA H 61 4.105 4.197 -0.092 1
1 220 . 16 1 1 A 19 19 ALA C C 61 178.793 176.746 2.047 1
1 221 . 16 1 1 A 19 19 ALA CA C 61 54.218 54.355 -0.137 1
1 222 . 16 1 1 A 19 19 ALA CB C 61 18.969 19.324 -0.355 1
1 223 . 16 1 1 A 19 19 ALA N N 61 121.667 122.357 -0.690 1
1 224 . 16 1 1 A 20 20 ASP H H 62 8.117 8.229 -0.112 1
1 225 . 16 1 1 A 20 20 ASP HA H 62 4.602 4.579 0.023 1
1 228 . 16 1 1 A 20 20 ASP C C 62 177.210 176.803 0.407 1
1 229 . 16 1 1 A 20 20 ASP CA C 62 54.575 54.086 0.489 1
1 230 . 16 1 1 A 20 20 ASP CB C 62 41.188 41.754 -0.566 1
1 231 . 16 1 1 A 20 20 ASP N N 62 115.534 118.088 -2.554 1
1 232 . 16 1 1 A 21 21 GLY H H 63 8.996 9.058 -0.062 1
1 233 . 16 1 1 A 21 21 GLY HA2 H 63 4.311 4.172 0.139 1
1 234 . 16 1 1 A 21 21 GLY HA3 H 63 3.888 4.219 -0.331 1
1 235 . 16 1 1 A 21 21 GLY C C 63 173.384 174.685 -1.301 1
1 236 . 16 1 1 A 21 21 GLY CA C 63 46.124 45.005 1.119 1
1 237 . 16 1 1 A 21 21 GLY N N 63 112.754 114.365 -1.611 1
1 238 . 16 1 1 A 22 22 LEU H H 64 7.380 7.965 -0.585 1
1 239 . 16 1 1 A 22 22 LEU HA H 64 4.964 4.751 0.213 1
1 249 . 16 1 1 A 22 22 LEU C C 64 178.011 175.608 2.403 1
1 250 . 16 1 1 A 22 22 LEU CA C 64 57.159 54.932 2.227 1
1 251 . 16 1 1 A 22 22 LEU CB C 64 42.160 42.424 -0.264 1
1 255 . 16 1 1 A 22 22 LEU N N 64 123.991 123.326 0.665 1
1 256 . 16 1 1 A 23 23 THR H H 65 9.752 9.328 0.424 1
1 257 . 16 1 1 A 23 23 THR HA H 65 4.755 5.020 -0.265 1
1 262 . 16 1 1 A 23 23 THR C C 65 173.249 173.687 -0.438 1
1 263 . 16 1 1 A 23 23 THR CA C 65 61.231 61.566 -0.335 1
1 264 . 16 1 1 A 23 23 THR CB C 65 71.995 70.904 1.091 1
1 266 . 16 1 1 A 23 23 THR N N 65 124.024 124.161 -0.137 1
1 267 . 16 1 1 A 24 24 MET H H 66 8.881 8.662 0.219 1
1 268 . 16 1 1 A 24 24 MET HA H 66 5.019 4.716 0.303 1
1 276 . 16 1 1 A 24 24 MET C C 66 176.750 176.390 0.360 1
1 277 . 16 1 1 A 24 24 MET CA C 66 54.452 54.958 -0.506 1
1 278 . 16 1 1 A 24 24 MET CB C 66 31.809 33.325 -1.516 1
1 281 . 16 1 1 A 24 24 MET N N 66 125.215 125.696 -0.481 1
1 282 . 16 1 1 A 25 25 LEU H H 67 8.037 8.474 -0.437 1
1 283 . 16 1 1 A 25 25 LEU HA H 67 4.253 4.588 -0.335 1
1 293 . 16 1 1 A 25 25 LEU C C 67 176.617 176.029 0.588 1
1 294 . 16 1 1 A 25 25 LEU CA C 67 55.259 54.343 0.916 1
1 295 . 16 1 1 A 25 25 LEU CB C 67 41.019 41.951 -0.932 1
1 299 . 16 1 1 A 25 25 LEU N N 67 123.282 123.680 -0.398 1
1 300 . 16 1 1 A 26 26 ASP H H 68 8.419 7.989 0.430 1
1 301 . 16 1 1 A 26 26 ASP HA H 68 4.695 4.198 0.497 1
1 304 . 16 1 1 A 26 26 ASP C C 68 176.728 176.908 -0.180 1
1 305 . 16 1 1 A 26 26 ASP CA C 68 53.907 56.263 -2.356 1
1 306 . 16 1 1 A 26 26 ASP CB C 68 41.338 39.744 1.594 1
1 307 . 16 1 1 A 26 26 ASP N N 68 120.434 116.755 3.679 1
1 308 . 16 1 1 A 27 27 GLY H H 69 8.607 8.455 0.152 1
1 309 . 16 1 1 A 27 27 GLY HA2 H 69 4.055 3.874 0.181 1
1 310 . 16 1 1 A 27 27 GLY HA3 H 69 3.665 3.874 -0.209 1
1 311 . 16 1 1 A 27 27 GLY C C 69 173.151 173.665 -0.514 1
1 312 . 16 1 1 A 27 27 GLY CA C 69 45.895 45.947 -0.052 1
1 313 . 16 1 1 A 27 27 GLY N N 69 112.545 107.492 5.053 1
1 314 . 16 1 1 A 28 28 ALA H H 70 7.634 7.504 0.130 1
1 315 . 16 1 1 A 28 28 ALA HA H 70 4.575 4.750 -0.175 1
1 319 . 16 1 1 A 28 28 ALA C C 70 174.090 174.197 -0.107 1
1 320 . 16 1 1 A 28 28 ALA CA C 70 50.137 49.894 0.243 1
1 321 . 16 1 1 A 28 28 ALA CB C 70 19.221 22.410 -3.189 1
1 322 . 16 1 1 A 28 28 ALA N N 70 125.545 121.311 4.234 1
1 323 . 16 1 1 A 29 29 PRO HA H 71 4.462 4.569 -0.107 1
1 330 . 16 1 1 A 29 29 PRO C C 71 176.671 175.866 0.805 1
1 331 . 16 1 1 A 29 29 PRO CA C 71 63.021 63.559 -0.538 1
1 332 . 16 1 1 A 29 29 PRO CB C 71 32.015 31.573 0.442 1
1 335 . 16 1 1 A 30 30 GLY H H 72 7.988 8.005 -0.017 1
1 336 . 16 1 1 A 30 30 GLY HA2 H 72 5.001 4.021 0.980 1
1 337 . 16 1 1 A 30 30 GLY HA3 H 72 3.991 4.069 -0.078 1
1 338 . 16 1 1 A 30 30 GLY C C 72 172.906 171.119 1.787 1
1 339 . 16 1 1 A 30 30 GLY CA C 72 45.642 44.984 0.658 1
1 340 . 16 1 1 A 30 30 GLY N N 72 109.355 110.024 -0.669 1
1 341 . 16 1 1 A 31 31 VAL H H 73 9.332 8.504 0.828 1
1 342 . 16 1 1 A 31 31 VAL HA H 73 5.194 4.867 0.327 1
1 350 . 16 1 1 A 31 31 VAL C C 73 171.443 173.012 -1.569 1
1 351 . 16 1 1 A 31 31 VAL CA C 73 60.233 59.878 0.355 1
1 352 . 16 1 1 A 31 31 VAL CB C 73 35.471 35.212 0.259 1
1 355 . 16 1 1 A 31 31 VAL N N 73 116.539 118.676 -2.137 1
1 356 . 16 1 1 A 32 32 ARG H H 74 8.956 9.259 -0.303 1
1 357 . 16 1 1 A 32 32 ARG HA H 74 5.999 5.795 0.204 1
1 365 . 16 1 1 A 32 32 ARG C C 74 174.581 175.513 -0.932 1
1 366 . 16 1 1 A 32 32 ARG CA C 74 54.187 54.798 -0.611 1
1 367 . 16 1 1 A 32 32 ARG CB C 74 33.463 32.984 0.479 1
1 370 . 16 1 1 A 32 32 ARG N N 74 127.557 129.580 -2.023 1
1 372 . 16 1 1 A 33 33 PHE H H 75 9.262 8.528 0.734 1
1 373 . 16 1 1 A 33 33 PHE HA H 75 5.461 5.369 0.092 1
1 381 . 16 1 1 A 33 33 PHE C C 75 171.210 172.873 -1.663 1
1 382 . 16 1 1 A 33 33 PHE CA C 75 55.947 55.883 0.064 1
1 383 . 16 1 1 A 33 33 PHE CB C 75 41.151 41.943 -0.792 1
1 389 . 16 1 1 A 33 33 PHE N N 75 120.514 121.552 -1.038 1
1 390 . 16 1 1 A 34 34 ARG H H 76 9.921 8.389 1.532 1
1 391 . 16 1 1 A 34 34 ARG HA H 76 4.368 4.257 0.111 1
1 399 . 16 1 1 A 34 34 ARG C C 76 173.994 174.444 -0.450 1
1 400 . 16 1 1 A 34 34 ARG CA C 76 54.594 54.788 -0.194 1
1 401 . 16 1 1 A 34 34 ARG CB C 76 31.539 30.286 1.253 1
1 404 . 16 1 1 A 34 34 ARG N N 76 122.011 118.630 3.381 1
1 406 . 16 1 1 A 35 35 LEU H H 77 8.781 8.553 0.228 1
1 407 . 16 1 1 A 35 35 LEU HA H 77 4.755 4.835 -0.080 1
1 417 . 16 1 1 A 35 35 LEU C C 77 176.305 174.987 1.318 1
1 418 . 16 1 1 A 35 35 LEU CA C 77 53.188 54.297 -1.109 1
1 419 . 16 1 1 A 35 35 LEU CB C 77 44.689 42.860 1.829 1
1 423 . 16 1 1 A 35 35 LEU N N 77 127.038 126.451 0.587 1
1 424 . 16 1 1 A 36 36 GLU H H 78 9.342 8.430 0.912 1
1 425 . 16 1 1 A 36 36 GLU HA H 78 4.531 4.398 0.133 1
1 430 . 16 1 1 A 36 36 GLU C C 78 175.380 175.769 -0.389 1
1 431 . 16 1 1 A 36 36 GLU CA C 78 54.829 56.275 -1.446 1
1 432 . 16 1 1 A 36 36 GLU CB C 78 29.842 30.229 -0.387 1
1 434 . 16 1 1 A 36 36 GLU N N 78 126.891 127.495 -0.604 1
1 435 . 16 1 1 A 37 37 ASP H H 79 8.418 8.156 0.262 1
1 436 . 16 1 1 A 37 37 ASP HA H 79 4.630 4.623 0.007 1
1 439 . 16 1 1 A 37 37 ASP C C 79 176.623 176.108 0.515 1
1 440 . 16 1 1 A 37 37 ASP CA C 79 53.996 54.450 -0.454 1
1 441 . 16 1 1 A 37 37 ASP CB C 79 41.401 42.161 -0.760 1
1 442 . 16 1 1 A 37 37 ASP N N 79 125.084 125.863 -0.779 1
1 443 . 16 1 1 A 38 38 LYS H H 80 8.691 8.833 -0.142 1
1 444 . 16 1 1 A 38 38 LYS HA H 80 4.064 4.450 -0.386 1
1 453 . 16 1 1 A 38 38 LYS C C 80 176.779 177.319 -0.540 1
1 454 . 16 1 1 A 38 38 LYS CA C 80 57.994 56.182 1.812 1
1 455 . 16 1 1 A 38 38 LYS CB C 80 32.404 32.977 -0.573 1
1 459 . 16 1 1 A 38 38 LYS N N 80 124.179 125.453 -1.274 1
1 460 . 16 1 1 A 39 39 ASP H H 81 8.355 7.957 0.398 1
1 461 . 16 1 1 A 39 39 ASP HA H 81 4.591 4.508 0.083 1
1 464 . 16 1 1 A 39 39 ASP C C 81 175.682 176.752 -1.070 1
1 465 . 16 1 1 A 39 39 ASP CA C 81 54.888 55.795 -0.907 1
1 466 . 16 1 1 A 39 39 ASP CB C 81 41.040 41.813 -0.773 1
1 467 . 16 1 1 A 39 39 ASP N N 81 117.392 117.250 0.142 1
1 468 . 16 1 1 A 40 40 ASN H H 82 7.954 7.757 0.197 1
1 469 . 16 1 1 A 40 40 ASN HA H 82 4.785 4.903 -0.118 1
1 474 . 16 1 1 A 40 40 ASN C C 82 175.435 175.238 0.197 1
1 475 . 16 1 1 A 40 40 ASN CA C 82 53.032 52.395 0.637 1
1 476 . 16 1 1 A 40 40 ASN CB C 82 38.471 40.109 -1.638 1
1 478 . 16 1 1 A 40 40 ASN N N 82 117.785 116.537 1.248 1
1 480 . 16 1 1 A 41 41 THR H H 83 8.518 8.777 -0.259 1
1 481 . 16 1 1 A 41 41 THR HA H 83 4.243 4.149 0.094 1
1 486 . 16 1 1 A 41 41 THR C C 83 175.191 175.773 -0.582 1
1 487 . 16 1 1 A 41 41 THR CA C 83 63.584 64.256 -0.672 1
1 488 . 16 1 1 A 41 41 THR CB C 83 69.267 69.080 0.187 1
1 490 . 16 1 1 A 41 41 THR N N 83 114.265 120.910 -6.645 1
1 491 . 16 1 1 A 42 42 SER H H 84 8.179 7.777 0.402 1
1 492 . 16 1 1 A 42 42 SER HA H 84 4.439 4.465 -0.026 1
1 495 . 16 1 1 A 42 42 SER C C 84 174.269 174.085 0.184 1
1 496 . 16 1 1 A 42 42 SER CA C 84 59.222 59.093 0.129 1
1 497 . 16 1 1 A 42 42 SER CB C 84 63.627 63.737 -0.110 1
1 498 . 16 1 1 A 42 42 SER N N 84 115.576 115.188 0.388 1
1 499 . 16 1 1 A 43 43 LYS H H 85 7.911 7.238 0.673 1
1 500 . 16 1 1 A 43 43 LYS HA H 85 4.460 4.819 -0.359 1
1 509 . 16 1 1 A 43 43 LYS C C 85 175.440 175.012 0.428 1
1 510 . 16 1 1 A 43 43 LYS CA C 85 55.961 54.929 1.032 1
1 511 . 16 1 1 A 43 43 LYS CB C 85 33.032 33.983 -0.951 1
1 515 . 16 1 1 A 43 43 LYS N N 85 123.691 121.585 2.106 1
1 516 . 16 1 1 A 44 44 THR H H 86 8.165 8.888 -0.723 1
1 517 . 16 1 1 A 44 44 THR HA H 86 4.904 5.388 -0.484 1
1 522 . 16 1 1 A 44 44 THR C C 86 173.685 173.395 0.290 1
1 523 . 16 1 1 A 44 44 THR CA C 86 60.794 60.494 0.300 1
1 524 . 16 1 1 A 44 44 THR CB C 86 71.046 70.647 0.399 1
1 526 . 16 1 1 A 44 44 THR N N 86 117.392 117.581 -0.189 1
1 527 . 16 1 1 A 45 45 VAL H H 87 8.155 8.697 -0.542 1
1 528 . 16 1 1 A 45 45 VAL HA H 87 4.402 4.443 -0.041 1
1 536 . 16 1 1 A 45 45 VAL C C 87 174.343 174.953 -0.610 1
1 537 . 16 1 1 A 45 45 VAL CA C 87 60.551 61.065 -0.514 1
1 538 . 16 1 1 A 45 45 VAL CB C 87 35.225 33.373 1.852 1
1 541 . 16 1 1 A 45 45 VAL N N 87 123.105 125.737 -2.632 1
1 542 . 16 1 1 A 46 46 TRP H H 88 8.574 8.940 -0.366 1
1 543 . 16 1 1 A 46 46 TRP HA H 88 4.789 5.083 -0.294 1
1 552 . 16 1 1 A 46 46 TRP C C 88 175.287 176.281 -0.994 1
1 553 . 16 1 1 A 46 46 TRP CA C 88 57.716 56.769 0.947 1
1 554 . 16 1 1 A 46 46 TRP CB C 88 30.822 30.975 -0.153 1
1 560 . 16 1 1 A 46 46 TRP N N 88 126.326 128.851 -2.525 1
1 562 . 16 1 1 A 47 47 VAL H H 89 9.550 8.856 0.694 1
1 563 . 16 1 1 A 47 47 VAL HA H 89 4.884 5.193 -0.309 1
1 571 . 16 1 1 A 47 47 VAL C C 89 173.675 174.486 -0.811 1
1 572 . 16 1 1 A 47 47 VAL CA C 89 60.713 60.979 -0.266 1
1 573 . 16 1 1 A 47 47 VAL CB C 89 33.847 33.484 0.363 1
1 576 . 16 1 1 A 47 47 VAL N N 89 123.380 122.701 0.679 1
1 577 . 16 1 1 A 48 48 LEU H H 90 8.757 8.875 -0.118 1
1 578 . 16 1 1 A 48 48 LEU HA H 90 5.181 4.924 0.257 1
1 588 . 16 1 1 A 48 48 LEU C C 90 175.118 175.039 0.079 1
1 589 . 16 1 1 A 48 48 LEU CA C 90 53.567 53.677 -0.110 1
1 590 . 16 1 1 A 48 48 LEU CB C 90 45.758 43.089 2.669 1
1 594 . 16 1 1 A 48 48 LEU N N 90 125.653 130.249 -4.596 1
1 595 . 16 1 1 A 49 49 TYR H H 91 9.355 9.042 0.313 1
1 596 . 16 1 1 A 49 49 TYR HA H 91 5.196 5.101 0.095 1
1 603 . 16 1 1 A 49 49 TYR C C 91 172.437 174.178 -1.741 1
1 604 . 16 1 1 A 49 49 TYR CA C 91 56.490 56.512 -0.022 1
1 605 . 16 1 1 A 49 49 TYR CB C 91 41.602 40.608 0.994 1
1 610 . 16 1 1 A 49 49 TYR N N 91 129.351 128.948 0.403 1
1 611 . 16 1 1 A 50 50 LYS H H 92 7.805 8.463 -0.658 1
1 612 . 16 1 1 A 50 50 LYS HA H 92 4.450 4.778 -0.328 1
1 621 . 16 1 1 A 50 50 LYS C C 92 173.949 176.014 -2.065 1
1 622 . 16 1 1 A 50 50 LYS CA C 92 55.264 54.858 0.406 1
1 623 . 16 1 1 A 50 50 LYS CB C 92 32.484 33.041 -0.557 1
1 627 . 16 1 1 A 50 50 LYS N N 92 127.571 126.734 0.837 1
1 628 . 16 1 1 A 51 51 GLY H H 93 7.147 7.901 -0.754 1
1 629 . 16 1 1 A 51 51 GLY HA2 H 93 3.810 3.840 -0.030 1
1 630 . 16 1 1 A 51 51 GLY HA3 H 93 3.609 4.035 -0.426 1
1 631 . 16 1 1 A 51 51 GLY C C 93 170.582 171.984 -1.402 1
1 632 . 16 1 1 A 51 51 GLY CA C 93 43.645 44.875 -1.230 1
1 633 . 16 1 1 A 51 51 GLY N N 93 111.723 110.362 1.361 1
1 634 . 16 1 1 A 52 52 ALA H H 94 8.185 8.290 -0.105 1
1 635 . 16 1 1 A 52 52 ALA HA H 94 4.273 4.330 -0.057 1
1 639 . 16 1 1 A 52 52 ALA C C 94 178.775 177.152 1.623 1
1 640 . 16 1 1 A 52 52 ALA CA C 94 52.381 52.232 0.149 1
1 641 . 16 1 1 A 52 52 ALA CB C 94 18.392 18.721 -0.329 1
1 642 . 16 1 1 A 52 52 ALA N N 94 119.165 123.289 -4.124 1
1 643 . 16 1 1 A 53 53 VAL H H 95 8.967 8.637 0.330 1
1 644 . 16 1 1 A 53 53 VAL HA H 95 4.200 4.401 -0.201 1
1 652 . 16 1 1 A 53 53 VAL C C 95 174.416 174.908 -0.492 1
1 653 . 16 1 1 A 53 53 VAL CA C 95 60.028 60.255 -0.227 1
1 654 . 16 1 1 A 53 53 VAL CB C 95 32.712 31.950 0.762 1
1 657 . 16 1 1 A 53 53 VAL N N 95 127.597 124.623 2.974 1
1 658 . 16 1 1 A 54 54 PRO HA H 96 4.609 4.773 -0.164 1
1 665 . 16 1 1 A 54 54 PRO C C 96 177.752 176.603 1.149 1
1 666 . 16 1 1 A 54 54 PRO CA C 96 62.907 62.431 0.476 1
1 667 . 16 1 1 A 54 54 PRO CB C 96 32.850 33.268 -0.418 1
1 670 . 16 1 1 A 55 55 ASP H H 97 9.047 9.100 -0.053 1
1 671 . 16 1 1 A 55 55 ASP HA H 97 4.459 4.359 0.100 1
1 674 . 16 1 1 A 55 55 ASP C C 97 176.541 178.024 -1.483 1
1 675 . 16 1 1 A 55 55 ASP CA C 97 56.434 56.572 -0.138 1
1 676 . 16 1 1 A 55 55 ASP CB C 97 39.845 40.442 -0.597 1
1 677 . 16 1 1 A 55 55 ASP N N 97 122.223 122.858 -0.635 1
1 678 . 16 1 1 A 56 56 THR H H 98 7.196 7.838 -0.642 1
1 679 . 16 1 1 A 56 56 THR HA H 98 4.105 4.059 0.046 1
1 684 . 16 1 1 A 56 56 THR C C 98 174.743 175.224 -0.481 1
1 685 . 16 1 1 A 56 56 THR CA C 98 60.857 66.692 -5.835 1
1 686 . 16 1 1 A 56 56 THR CB C 98 69.227 68.977 0.250 1
1 688 . 16 1 1 A 56 56 THR N N 98 105.196 113.647 -8.451 1
1 689 . 16 1 1 A 57 57 PHE H H 99 7.766 7.780 -0.014 1
1 690 . 16 1 1 A 57 57 PHE HA H 99 3.752 4.496 -0.744 1
1 698 . 16 1 1 A 57 57 PHE C C 99 172.629 174.324 -1.695 1
1 699 . 16 1 1 A 57 57 PHE CA C 99 60.570 58.608 1.962 1
1 700 . 16 1 1 A 57 57 PHE CB C 99 40.156 39.349 0.807 1
1 706 . 16 1 1 A 57 57 PHE N N 99 122.514 122.582 -0.068 1
1 707 . 16 1 1 A 58 58 LYS H H 100 6.468 8.285 -1.817 1
1 708 . 16 1 1 A 58 58 LYS HA H 100 4.409 4.688 -0.279 1
1 717 . 16 1 1 A 58 58 LYS C C 100 171.564 173.771 -2.207 1
1 718 . 16 1 1 A 58 58 LYS CA C 100 53.643 53.984 -0.341 1
1 719 . 16 1 1 A 58 58 LYS CB C 100 32.382 34.881 -2.499 1
1 723 . 16 1 1 A 58 58 LYS N N 100 125.478 123.215 2.263 1
1 724 . 16 1 1 A 59 59 PRO HA H 101 3.708 4.124 -0.416 1
1 731 . 16 1 1 A 59 59 PRO C C 101 176.868 177.342 -0.474 1
1 732 . 16 1 1 A 59 59 PRO CA C 101 63.881 63.697 0.184 1
1 733 . 16 1 1 A 59 59 PRO CB C 101 31.168 31.245 -0.077 1
1 736 . 16 1 1 A 60 60 GLY H H 102 9.269 8.504 0.765 1
1 737 . 16 1 1 A 60 60 GLY HA2 H 102 4.299 3.896 0.403 1
1 738 . 16 1 1 A 60 60 GLY HA3 H 102 3.502 3.898 -0.396 1
1 739 . 16 1 1 A 60 60 GLY C C 102 174.023 174.406 -0.383 1
1 740 . 16 1 1 A 60 60 GLY CA C 102 45.005 45.086 -0.081 1
1 741 . 16 1 1 A 60 60 GLY N N 102 112.023 112.865 -0.842 1
1 742 . 16 1 1 A 61 61 VAL H H 103 7.321 7.448 -0.127 1
1 743 . 16 1 1 A 61 61 VAL HA H 103 4.279 4.152 0.127 1
1 751 . 16 1 1 A 61 61 VAL C C 103 174.073 175.541 -1.468 1
1 752 . 16 1 1 A 61 61 VAL CA C 103 61.277 61.643 -0.366 1
1 753 . 16 1 1 A 61 61 VAL CB C 103 32.882 32.583 0.299 1
1 756 . 16 1 1 A 61 61 VAL N N 103 118.571 121.497 -2.926 1
1 757 . 16 1 1 A 62 62 GLU H H 104 8.204 8.384 -0.180 1
1 758 . 16 1 1 A 62 62 GLU HA H 104 4.946 4.750 0.196 1
1 763 . 16 1 1 A 62 62 GLU C C 104 176.252 176.440 -0.188 1
1 764 . 16 1 1 A 62 62 GLU CA C 104 55.398 56.045 -0.647 1
1 765 . 16 1 1 A 62 62 GLU CB C 104 30.129 30.617 -0.488 1
1 767 . 16 1 1 A 62 62 GLU N N 104 123.214 126.473 -3.259 1
1 768 . 16 1 1 A 63 63 VAL H H 105 9.066 8.536 0.530 1
1 769 . 16 1 1 A 63 63 VAL HA H 105 5.297 4.890 0.407 1
1 777 . 16 1 1 A 63 63 VAL C C 105 173.913 174.124 -0.211 1
1 778 . 16 1 1 A 63 63 VAL CA C 105 58.284 59.404 -1.120 1
1 779 . 16 1 1 A 63 63 VAL CB C 105 36.265 34.864 1.401 1
1 782 . 16 1 1 A 63 63 VAL N N 105 115.526 118.313 -2.787 1
1 783 . 16 1 1 A 64 64 ILE H H 106 8.542 9.042 -0.500 1
1 784 . 16 1 1 A 64 64 ILE HA H 106 4.775 4.773 0.002 1
1 794 . 16 1 1 A 64 64 ILE C C 106 176.511 175.776 0.735 1
1 795 . 16 1 1 A 64 64 ILE CA C 106 60.804 60.269 0.535 1
1 796 . 16 1 1 A 64 64 ILE CB C 106 40.991 39.093 1.898 1
1 800 . 16 1 1 A 64 64 ILE N N 106 120.283 124.210 -3.927 1
1 801 . 16 1 1 A 65 65 ILE H H 107 8.944 8.525 0.419 1
1 802 . 16 1 1 A 65 65 ILE HA H 107 5.197 4.952 0.245 1
1 812 . 16 1 1 A 65 65 ILE C C 107 174.076 174.815 -0.739 1
1 813 . 16 1 1 A 65 65 ILE CA C 107 58.384 59.202 -0.818 1
1 814 . 16 1 1 A 65 65 ILE CB C 107 42.082 39.210 2.872 1
1 818 . 16 1 1 A 65 65 ILE N N 107 122.157 124.140 -1.983 1
1 819 . 16 1 1 A 66 66 GLU H H 108 7.762 8.716 -0.954 1
1 820 . 16 1 1 A 66 66 GLU HA H 108 5.801 5.262 0.539 1
1 825 . 16 1 1 A 66 66 GLU C C 108 176.789 176.299 0.490 1
1 826 . 16 1 1 A 66 66 GLU CA C 108 54.063 54.921 -0.858 1
1 827 . 16 1 1 A 66 66 GLU CB C 108 32.818 32.294 0.524 1
1 829 . 16 1 1 A 66 66 GLU N N 108 119.473 121.723 -2.250 1
1 830 . 16 1 1 A 67 67 GLY H H 109 9.064 8.676 0.388 1
1 831 . 16 1 1 A 67 67 GLY HA2 H 109 4.773 4.312 0.461 1
1 832 . 16 1 1 A 67 67 GLY HA3 H 109 3.948 4.339 -0.391 1
1 833 . 16 1 1 A 67 67 GLY C C 109 170.431 172.110 -1.679 1
1 834 . 16 1 1 A 67 67 GLY CA C 109 46.598 46.247 0.351 1
1 835 . 16 1 1 A 67 67 GLY N N 109 112.366 110.820 1.546 1
1 836 . 16 1 1 A 68 68 GLY H H 110 7.116 7.205 -0.089 1
1 837 . 16 1 1 A 68 68 GLY HA2 H 110 3.949 3.420 0.529 1
1 838 . 16 1 1 A 68 68 GLY HA3 H 110 3.732 3.764 -0.032 1
1 839 . 16 1 1 A 68 68 GLY C C 110 170.827 171.011 -0.184 1
1 840 . 16 1 1 A 68 68 GLY CA C 110 45.228 45.013 0.215 1
1 841 . 16 1 1 A 68 68 GLY N N 110 109.402 107.069 2.333 1
1 842 . 16 1 1 A 69 69 LEU H H 111 8.542 7.992 0.550 1
1 843 . 16 1 1 A 69 69 LEU HA H 111 4.546 4.557 -0.011 1
1 853 . 16 1 1 A 69 69 LEU C C 111 175.890 175.839 0.051 1
1 854 . 16 1 1 A 69 69 LEU CA C 111 54.400 53.678 0.722 1
1 855 . 16 1 1 A 69 69 LEU CB C 111 43.814 44.044 -0.230 1
1 859 . 16 1 1 A 69 69 LEU N N 111 122.808 122.050 0.758 1
1 860 . 16 1 1 A 70 70 ALA H H 112 8.889 8.541 0.348 1
1 861 . 16 1 1 A 70 70 ALA HA H 112 4.639 4.449 0.190 1
1 865 . 16 1 1 A 70 70 ALA C C 112 174.900 177.481 -2.581 1
1 866 . 16 1 1 A 70 70 ALA CA C 112 49.951 50.485 -0.534 1
1 867 . 16 1 1 A 70 70 ALA CB C 112 18.111 18.781 -0.670 1
1 868 . 16 1 1 A 70 70 ALA N N 112 130.675 129.164 1.511 1
1 869 . 16 1 1 A 71 71 PRO HA H 113 4.338 4.297 0.041 1
1 876 . 16 1 1 A 71 71 PRO C C 113 178.206 177.732 0.474 1
1 877 . 16 1 1 A 71 71 PRO CA C 113 64.055 64.666 -0.611 1
1 878 . 16 1 1 A 71 71 PRO CB C 113 31.754 31.921 -0.167 1
1 881 . 16 1 1 A 72 72 GLY H H 114 8.748 8.493 0.255 1
1 882 . 16 1 1 A 72 72 GLY HA2 H 114 4.165 3.945 0.220 1
1 883 . 16 1 1 A 72 72 GLY HA3 H 114 3.775 3.948 -0.173 1
1 884 . 16 1 1 A 72 72 GLY C C 114 174.200 173.838 0.362 1
1 885 . 16 1 1 A 72 72 GLY CA C 114 45.602 45.559 0.043 1
1 886 . 16 1 1 A 72 72 GLY N N 114 111.945 107.307 4.638 1
1 887 . 16 1 1 A 73 73 GLU H H 115 7.931 7.330 0.601 1
1 888 . 16 1 1 A 73 73 GLU HA H 115 4.581 4.694 -0.113 1
1 893 . 16 1 1 A 73 73 GLU C C 115 175.843 176.611 -0.768 1
1 894 . 16 1 1 A 73 73 GLU CA C 115 55.732 55.029 0.703 1
1 895 . 16 1 1 A 73 73 GLU CB C 115 31.128 32.003 -0.875 1
1 897 . 16 1 1 A 73 73 GLU N N 115 118.591 120.183 -1.592 1
1 898 . 16 1 1 A 74 74 ASP H H 116 8.467 8.547 -0.080 1
1 899 . 16 1 1 A 74 74 ASP HA H 116 4.823 4.417 0.406 1
1 902 . 16 1 1 A 74 74 ASP C C 116 175.848 176.459 -0.611 1
1 903 . 16 1 1 A 74 74 ASP CA C 116 53.831 56.723 -2.892 1
1 904 . 16 1 1 A 74 74 ASP CB C 116 41.052 40.588 0.464 1
1 905 . 16 1 1 A 74 74 ASP N N 116 118.021 123.716 -5.695 1
1 906 . 16 1 1 A 75 75 THR H H 117 7.301 7.612 -0.311 1
1 907 . 16 1 1 A 75 75 THR HA H 117 4.620 4.811 -0.191 1
1 912 . 16 1 1 A 75 75 THR C C 117 172.120 173.697 -1.577 1
1 913 . 16 1 1 A 75 75 THR CA C 117 61.907 61.585 0.322 1
1 914 . 16 1 1 A 75 75 THR CB C 117 71.398 69.740 1.658 1
1 916 . 16 1 1 A 75 75 THR N N 117 114.820 115.194 -0.374 1
1 917 . 16 1 1 A 76 76 PHE H H 118 9.657 9.154 0.503 1
1 918 . 16 1 1 A 76 76 PHE HA H 118 4.290 4.607 -0.317 1
1 926 . 16 1 1 A 76 76 PHE C C 118 174.118 174.115 0.003 1
1 927 . 16 1 1 A 76 76 PHE CA C 118 58.185 57.428 0.757 1
1 928 . 16 1 1 A 76 76 PHE CB C 118 40.718 39.369 1.349 1
1 934 . 16 1 1 A 76 76 PHE N N 118 130.378 129.453 0.925 1
1 935 . 16 1 1 A 77 77 LYS H H 119 8.364 8.765 -0.401 1
1 936 . 16 1 1 A 77 77 LYS HA H 119 4.853 4.947 -0.094 1
1 945 . 16 1 1 A 77 77 LYS C C 119 175.278 175.124 0.154 1
1 946 . 16 1 1 A 77 77 LYS CA C 119 55.282 55.652 -0.370 1
1 947 . 16 1 1 A 77 77 LYS CB C 119 31.319 33.257 -1.938 1
1 951 . 16 1 1 A 77 77 LYS N N 119 129.777 126.590 3.187 1
1 952 . 16 1 1 A 78 78 ALA H H 120 8.837 8.588 0.249 1
1 953 . 16 1 1 A 78 78 ALA HA H 120 4.828 4.815 0.013 1
1 957 . 16 1 1 A 78 78 ALA C C 120 176.015 178.783 -2.768 1
1 958 . 16 1 1 A 78 78 ALA CA C 120 51.435 51.330 0.105 1
1 959 . 16 1 1 A 78 78 ALA CB C 120 20.006 20.214 -0.208 1
1 960 . 16 1 1 A 78 78 ALA N N 120 129.771 128.796 0.975 1
1 961 . 16 1 1 A 79 79 ARG H H 121 9.846 8.639 1.207 1
1 962 . 16 1 1 A 79 79 ARG HA H 121 4.582 4.272 0.310 1
1 970 . 16 1 1 A 79 79 ARG C C 121 176.651 176.196 0.455 1
1 971 . 16 1 1 A 79 79 ARG CA C 121 57.420 57.890 -0.470 1
1 972 . 16 1 1 A 79 79 ARG CB C 121 31.773 30.601 1.172 1
1 975 . 16 1 1 A 79 79 ARG N N 121 125.113 122.019 3.094 1
1 977 . 16 1 1 A 80 80 THR H H 122 7.938 7.985 -0.047 1
1 978 . 16 1 1 A 80 80 THR HA H 122 4.921 5.275 -0.354 1
1 983 . 16 1 1 A 80 80 THR C C 122 172.002 172.959 -0.957 1
1 984 . 16 1 1 A 80 80 THR CA C 122 60.475 60.292 0.183 1
1 985 . 16 1 1 A 80 80 THR CB C 122 72.093 72.227 -0.134 1
1 987 . 16 1 1 A 80 80 THR N N 122 109.595 109.380 0.215 1
1 988 . 16 1 1 A 81 81 LEU H H 123 8.196 8.649 -0.453 1
1 989 . 16 1 1 A 81 81 LEU HA H 123 4.701 4.885 -0.184 1
1 999 . 16 1 1 A 81 81 LEU C C 123 173.804 174.306 -0.502 1
1 1000 . 16 1 1 A 81 81 LEU CA C 123 55.357 53.858 1.499 1
1 1001 . 16 1 1 A 81 81 LEU CB C 123 44.009 45.671 -1.662 1
1 1005 . 16 1 1 A 81 81 LEU N N 123 123.214 123.057 0.157 1
1 1006 . 16 1 1 A 82 82 MET H H 124 8.700 8.853 -0.153 1
1 1007 . 16 1 1 A 82 82 MET HA H 124 4.841 5.253 -0.412 1
1 1015 . 16 1 1 A 82 82 MET C C 124 175.097 174.926 0.171 1
1 1016 . 16 1 1 A 82 82 MET CA C 124 54.190 54.154 0.036 1
1 1017 . 16 1 1 A 82 82 MET CB C 124 36.191 35.940 0.251 1
1 1020 . 16 1 1 A 82 82 MET N N 124 124.452 124.558 -0.106 1
1 1021 . 16 1 1 A 83 83 THR H H 125 8.671 8.430 0.241 1
1 1022 . 16 1 1 A 83 83 THR HA H 125 4.934 4.912 0.022 1
1 1027 . 16 1 1 A 83 83 THR C C 125 174.094 175.278 -1.184 1
1 1028 . 16 1 1 A 83 83 THR CA C 125 60.253 59.132 1.121 1
1 1029 . 16 1 1 A 83 83 THR CB C 125 69.831 71.610 -1.779 1
1 1031 . 16 1 1 A 83 83 THR N N 125 113.070 113.047 0.023 1
1 1032 . 16 1 1 A 84 84 LYS H H 126 8.419 8.823 -0.404 1
1 1033 . 16 1 1 A 84 84 LYS HA H 126 4.446 4.188 0.258 1
1 1042 . 16 1 1 A 84 84 LYS C C 126 175.461 176.038 -0.577 1
1 1043 . 16 1 1 A 84 84 LYS CA C 126 55.500 58.164 -2.664 1
1 1044 . 16 1 1 A 84 84 LYS CB C 126 33.736 33.237 0.499 1
1 1048 . 16 1 1 A 84 84 LYS N N 126 123.139 122.763 0.376 1
1 1049 . 16 1 1 A 85 85 CYS H H 127 8.543 7.868 0.675 1
1 1050 . 16 1 1 A 85 85 CYS HA H 127 4.795 4.741 0.054 1
1 1053 . 16 1 1 A 85 85 CYS C C 127 172.809 173.998 -1.189 1
1 1054 . 16 1 1 A 85 85 CYS CA C 127 56.423 55.802 0.621 1
1 1055 . 16 1 1 A 85 85 CYS CB C 127 27.739 29.110 -1.371 1
1 1056 . 16 1 1 A 85 85 CYS N N 127 123.709 117.665 6.044 1
1 1057 . 16 1 1 A 86 86 PRO HA H 128 4.439 4.652 -0.213 1
1 1064 . 16 1 1 A 86 86 PRO C C 128 176.560 175.955 0.605 1
1 1065 . 16 1 1 A 86 86 PRO CA C 128 63.292 62.229 1.063 1
1 1066 . 16 1 1 A 86 86 PRO CB C 128 32.165 33.138 -0.973 1
1 1069 . 16 1 1 A 87 87 LEU H H 129 8.274 8.218 0.056 1
1 1070 . 16 1 1 A 87 87 LEU HA H 129 4.256 5.094 -0.838 1
1 1080 . 16 1 1 A 87 87 LEU C C 129 177.141 175.946 1.195 1
1 1081 . 16 1 1 A 87 87 LEU CA C 129 55.281 52.302 2.979 1
1 1082 . 16 1 1 A 87 87 LEU CB C 129 42.299 45.800 -3.501 1
1 1086 . 16 1 1 A 87 87 LEU N N 129 122.188 117.352 4.836 1
1 1 . 17 1 1 A 2 2 ALA HA H 44 4.214 4.785 -0.571 1
1 5 . 17 1 1 A 2 2 ALA C C 44 173.758 176.076 -2.318 1
1 6 . 17 1 1 A 2 2 ALA CA C 44 51.848 50.963 0.885 1
1 7 . 17 1 1 A 2 2 ALA CB C 44 19.505 20.140 -0.635 1
1 8 . 17 1 1 A 3 3 THR H H 45 8.709 8.848 -0.139 1
1 9 . 17 1 1 A 3 3 THR HA H 45 4.694 4.909 -0.215 1
1 14 . 17 1 1 A 3 3 THR CA C 45 60.191 59.079 1.112 1
1 15 . 17 1 1 A 3 3 THR CB C 45 69.815 69.956 -0.141 1
1 17 . 17 1 1 A 3 3 THR N N 45 116.649 119.409 -2.760 1
1 18 . 17 1 1 A 4 4 PRO HA H 46 4.412 4.611 -0.199 1
1 25 . 17 1 1 A 4 4 PRO C C 46 177.212 177.684 -0.472 1
1 26 . 17 1 1 A 4 4 PRO CA C 46 63.698 62.278 1.420 1
1 27 . 17 1 1 A 4 4 PRO CB C 46 32.117 30.242 1.875 1
1 30 . 17 1 1 A 5 5 GLN H H 47 8.463 8.262 0.201 1
1 31 . 17 1 1 A 5 5 GLN HA H 47 4.260 4.088 0.172 1
1 38 . 17 1 1 A 5 5 GLN C C 47 176.073 176.238 -0.165 1
1 39 . 17 1 1 A 5 5 GLN CA C 47 56.328 57.926 -1.598 1
1 40 . 17 1 1 A 5 5 GLN CB C 47 29.286 28.185 1.101 1
1 43 . 17 1 1 A 5 5 GLN N N 47 119.945 122.902 -2.957 1
1 45 . 17 1 1 A 6 6 ASP H H 48 8.276 7.695 0.581 1
1 46 . 17 1 1 A 6 6 ASP HA H 48 4.558 4.914 -0.356 1
1 49 . 17 1 1 A 6 6 ASP C C 48 176.454 175.881 0.573 1
1 50 . 17 1 1 A 6 6 ASP CA C 48 54.538 53.036 1.502 1
1 51 . 17 1 1 A 6 6 ASP CB C 48 40.873 38.711 2.162 1
1 52 . 17 1 1 A 6 6 ASP N N 48 120.974 120.796 0.178 1
1 53 . 17 1 1 A 7 7 LYS H H 49 8.218 8.107 0.111 1
1 54 . 17 1 1 A 7 7 LYS HA H 49 4.264 4.407 -0.143 1
1 63 . 17 1 1 A 7 7 LYS C C 49 176.665 176.565 0.100 1
1 64 . 17 1 1 A 7 7 LYS CA C 49 56.655 57.146 -0.491 1
1 65 . 17 1 1 A 7 7 LYS CB C 49 32.837 32.630 0.207 1
1 69 . 17 1 1 A 7 7 LYS N N 49 120.950 123.372 -2.422 1
1 70 . 17 1 1 A 8 8 LEU H H 50 8.010 7.553 0.457 1
1 71 . 17 1 1 A 8 8 LEU HA H 50 4.279 4.539 -0.260 1
1 81 . 17 1 1 A 8 8 LEU C C 50 177.110 175.136 1.974 1
1 82 . 17 1 1 A 8 8 LEU CA C 50 55.353 54.380 0.973 1
1 83 . 17 1 1 A 8 8 LEU CB C 50 42.302 39.826 2.476 1
1 87 . 17 1 1 A 8 8 LEU N N 50 121.105 121.876 -0.771 1
1 88 . 17 1 1 A 9 9 HIS H H 51 8.411 7.964 0.447 1
1 89 . 17 1 1 A 9 9 HIS HA H 51 4.780 5.117 -0.337 1
1 92 . 17 1 1 A 9 9 HIS C C 51 174.285 172.983 1.302 1
1 93 . 17 1 1 A 9 9 HIS CA C 51 55.320 54.734 0.586 1
1 94 . 17 1 1 A 9 9 HIS CB C 51 28.827 31.883 -3.056 1
1 95 . 17 1 1 A 9 9 HIS N N 51 119.035 117.210 1.825 1
1 96 . 17 1 1 A 10 10 THR H H 52 8.178 8.800 -0.622 1
1 97 . 17 1 1 A 10 10 THR HA H 52 4.488 4.540 -0.052 1
1 102 . 17 1 1 A 10 10 THR C C 52 173.766 174.145 -0.379 1
1 103 . 17 1 1 A 10 10 THR CA C 52 62.392 63.267 -0.875 1
1 104 . 17 1 1 A 10 10 THR CB C 52 70.104 68.929 1.175 1
1 106 . 17 1 1 A 10 10 THR N N 52 117.285 116.880 0.405 1
1 107 . 17 1 1 A 11 11 VAL H H 53 9.088 8.776 0.312 1
1 108 . 17 1 1 A 11 11 VAL HA H 53 4.464 4.483 -0.019 1
1 116 . 17 1 1 A 11 11 VAL C C 53 174.048 174.543 -0.495 1
1 117 . 17 1 1 A 11 11 VAL CA C 53 61.359 61.448 -0.089 1
1 118 . 17 1 1 A 11 11 VAL CB C 53 34.602 32.838 1.764 1
1 121 . 17 1 1 A 11 11 VAL N N 53 123.969 128.962 -4.993 1
1 122 . 17 1 1 A 12 12 ARG H H 54 8.386 8.958 -0.572 1
1 123 . 17 1 1 A 12 12 ARG HA H 54 5.495 5.117 0.378 1
1 131 . 17 1 1 A 12 12 ARG C C 54 175.364 174.246 1.118 1
1 132 . 17 1 1 A 12 12 ARG CA C 54 54.401 54.248 0.153 1
1 133 . 17 1 1 A 12 12 ARG CB C 54 32.753 33.427 -0.674 1
1 136 . 17 1 1 A 12 12 ARG N N 54 125.294 128.786 -3.492 1
1 138 . 17 1 1 A 13 13 LEU H H 55 8.828 8.866 -0.038 1
1 139 . 17 1 1 A 13 13 LEU HA H 55 4.726 4.712 0.014 1
1 149 . 17 1 1 A 13 13 LEU C C 55 174.223 175.135 -0.912 1
1 150 . 17 1 1 A 13 13 LEU CA C 55 53.309 52.714 0.595 1
1 151 . 17 1 1 A 13 13 LEU CB C 55 45.884 45.606 0.278 1
1 155 . 17 1 1 A 13 13 LEU N N 55 124.874 126.923 -2.049 1
1 156 . 17 1 1 A 14 14 PHE H H 56 8.195 8.547 -0.352 1
1 157 . 17 1 1 A 14 14 PHE HA H 56 5.576 5.259 0.317 1
1 165 . 17 1 1 A 14 14 PHE C C 56 175.266 175.003 0.263 1
1 166 . 17 1 1 A 14 14 PHE CA C 56 55.009 56.137 -1.128 1
1 167 . 17 1 1 A 14 14 PHE CB C 56 42.340 42.913 -0.573 1
1 173 . 17 1 1 A 14 14 PHE N N 56 118.334 119.519 -1.185 1
1 174 . 17 1 1 A 15 15 GLY H H 57 8.134 8.160 -0.026 1
1 175 . 17 1 1 A 15 15 GLY HA2 H 57 4.229 4.258 -0.029 1
1 176 . 17 1 1 A 15 15 GLY HA3 H 57 4.004 4.271 -0.267 1
1 177 . 17 1 1 A 15 15 GLY C C 57 171.108 171.663 -0.555 1
1 178 . 17 1 1 A 15 15 GLY CA C 57 45.857 46.207 -0.350 1
1 179 . 17 1 1 A 15 15 GLY N N 57 109.159 109.071 0.088 1
1 180 . 17 1 1 A 16 16 THR H H 58 8.595 8.621 -0.026 1
1 181 . 17 1 1 A 16 16 THR HA H 58 5.114 5.130 -0.016 1
1 186 . 17 1 1 A 16 16 THR C C 58 174.484 173.693 0.791 1
1 187 . 17 1 1 A 16 16 THR CA C 58 60.591 61.264 -0.673 1
1 188 . 17 1 1 A 16 16 THR CB C 58 71.164 71.836 -0.672 1
1 190 . 17 1 1 A 16 16 THR N N 58 113.580 115.781 -2.201 1
1 191 . 17 1 1 A 17 17 VAL H H 59 8.053 8.748 -0.695 1
1 192 . 17 1 1 A 17 17 VAL HA H 59 3.876 4.162 -0.286 1
1 200 . 17 1 1 A 17 17 VAL C C 59 176.315 175.768 0.547 1
1 201 . 17 1 1 A 17 17 VAL CA C 59 63.549 63.173 0.376 1
1 202 . 17 1 1 A 17 17 VAL CB C 59 32.779 31.704 1.075 1
1 205 . 17 1 1 A 17 17 VAL N N 59 124.410 126.050 -1.640 1
1 206 . 17 1 1 A 18 18 ALA H H 60 8.931 8.386 0.545 1
1 207 . 17 1 1 A 18 18 ALA HA H 60 4.354 4.363 -0.009 1
1 211 . 17 1 1 A 18 18 ALA C C 60 177.293 178.192 -0.899 1
1 212 . 17 1 1 A 18 18 ALA CA C 60 52.138 52.511 -0.373 1
1 213 . 17 1 1 A 18 18 ALA CB C 60 19.782 19.131 0.651 1
1 214 . 17 1 1 A 18 18 ALA N N 60 133.912 129.920 3.992 1
1 215 . 17 1 1 A 19 19 ALA H H 61 8.548 8.711 -0.163 1
1 216 . 17 1 1 A 19 19 ALA HA H 61 4.105 4.164 -0.059 1
1 220 . 17 1 1 A 19 19 ALA C C 61 178.793 177.180 1.613 1
1 221 . 17 1 1 A 19 19 ALA CA C 61 54.218 54.678 -0.460 1
1 222 . 17 1 1 A 19 19 ALA CB C 61 18.969 19.295 -0.326 1
1 223 . 17 1 1 A 19 19 ALA N N 61 121.667 125.594 -3.927 1
1 224 . 17 1 1 A 20 20 ASP H H 62 8.117 8.199 -0.082 1
1 225 . 17 1 1 A 20 20 ASP HA H 62 4.602 4.453 0.149 1
1 228 . 17 1 1 A 20 20 ASP C C 62 177.210 177.143 0.067 1
1 229 . 17 1 1 A 20 20 ASP CA C 62 54.575 54.801 -0.226 1
1 230 . 17 1 1 A 20 20 ASP CB C 62 41.188 41.373 -0.185 1
1 231 . 17 1 1 A 20 20 ASP N N 62 115.534 117.279 -1.745 1
1 232 . 17 1 1 A 21 21 GLY H H 63 8.996 8.783 0.213 1
1 233 . 17 1 1 A 21 21 GLY HA2 H 63 4.311 4.021 0.290 1
1 234 . 17 1 1 A 21 21 GLY HA3 H 63 3.888 4.184 -0.296 1
1 235 . 17 1 1 A 21 21 GLY C C 63 173.384 174.044 -0.660 1
1 236 . 17 1 1 A 21 21 GLY CA C 63 46.124 46.804 -0.680 1
1 237 . 17 1 1 A 21 21 GLY N N 63 112.754 113.713 -0.959 1
1 238 . 17 1 1 A 22 22 LEU H H 64 7.380 7.857 -0.477 1
1 239 . 17 1 1 A 22 22 LEU HA H 64 4.964 5.360 -0.396 1
1 249 . 17 1 1 A 22 22 LEU C C 64 178.011 174.622 3.389 1
1 250 . 17 1 1 A 22 22 LEU CA C 64 57.159 54.246 2.913 1
1 251 . 17 1 1 A 22 22 LEU CB C 64 42.160 45.850 -3.690 1
1 255 . 17 1 1 A 22 22 LEU N N 64 123.991 120.521 3.470 1
1 256 . 17 1 1 A 23 23 THR H H 65 9.752 9.339 0.413 1
1 257 . 17 1 1 A 23 23 THR HA H 65 4.755 4.978 -0.223 1
1 262 . 17 1 1 A 23 23 THR C C 65 173.249 173.372 -0.123 1
1 263 . 17 1 1 A 23 23 THR CA C 65 61.231 61.511 -0.280 1
1 264 . 17 1 1 A 23 23 THR CB C 65 71.995 72.575 -0.580 1
1 266 . 17 1 1 A 23 23 THR N N 65 124.024 121.676 2.348 1
1 267 . 17 1 1 A 24 24 MET H H 66 8.881 8.714 0.167 1
1 268 . 17 1 1 A 24 24 MET HA H 66 5.019 5.013 0.006 1
1 276 . 17 1 1 A 24 24 MET C C 66 176.750 176.315 0.435 1
1 277 . 17 1 1 A 24 24 MET CA C 66 54.452 53.956 0.496 1
1 278 . 17 1 1 A 24 24 MET CB C 66 31.809 33.496 -1.687 1
1 281 . 17 1 1 A 24 24 MET N N 66 125.215 124.047 1.168 1
1 282 . 17 1 1 A 25 25 LEU H H 67 8.037 8.286 -0.249 1
1 283 . 17 1 1 A 25 25 LEU HA H 67 4.253 4.320 -0.067 1
1 293 . 17 1 1 A 25 25 LEU C C 67 176.617 176.154 0.463 1
1 294 . 17 1 1 A 25 25 LEU CA C 67 55.259 54.965 0.294 1
1 295 . 17 1 1 A 25 25 LEU CB C 67 41.019 41.748 -0.729 1
1 299 . 17 1 1 A 25 25 LEU N N 67 123.282 122.759 0.523 1
1 300 . 17 1 1 A 26 26 ASP H H 68 8.419 8.823 -0.404 1
1 301 . 17 1 1 A 26 26 ASP HA H 68 4.695 4.934 -0.239 1
1 304 . 17 1 1 A 26 26 ASP C C 68 176.728 177.220 -0.492 1
1 305 . 17 1 1 A 26 26 ASP CA C 68 53.907 54.200 -0.293 1
1 306 . 17 1 1 A 26 26 ASP CB C 68 41.338 41.133 0.205 1
1 307 . 17 1 1 A 26 26 ASP N N 68 120.434 124.127 -3.693 1
1 308 . 17 1 1 A 27 27 GLY H H 69 8.607 8.816 -0.209 1
1 309 . 17 1 1 A 27 27 GLY HA2 H 69 4.055 3.912 0.143 1
1 310 . 17 1 1 A 27 27 GLY HA3 H 69 3.665 3.913 -0.248 1
1 311 . 17 1 1 A 27 27 GLY C C 69 173.151 173.250 -0.099 1
1 312 . 17 1 1 A 27 27 GLY CA C 69 45.895 46.142 -0.247 1
1 313 . 17 1 1 A 27 27 GLY N N 69 112.545 111.748 0.797 1
1 314 . 17 1 1 A 28 28 ALA H H 70 7.634 7.495 0.139 1
1 315 . 17 1 1 A 28 28 ALA HA H 70 4.575 4.630 -0.055 1
1 319 . 17 1 1 A 28 28 ALA C C 70 174.090 174.275 -0.185 1
1 320 . 17 1 1 A 28 28 ALA CA C 70 50.137 50.096 0.041 1
1 321 . 17 1 1 A 28 28 ALA CB C 70 19.221 22.368 -3.147 1
1 322 . 17 1 1 A 28 28 ALA N N 70 125.545 120.021 5.524 1
1 323 . 17 1 1 A 29 29 PRO HA H 71 4.462 4.658 -0.196 1
1 330 . 17 1 1 A 29 29 PRO C C 71 176.671 175.912 0.759 1
1 331 . 17 1 1 A 29 29 PRO CA C 71 63.021 63.419 -0.398 1
1 332 . 17 1 1 A 29 29 PRO CB C 71 32.015 31.548 0.467 1
1 335 . 17 1 1 A 30 30 GLY H H 72 7.988 8.098 -0.110 1
1 336 . 17 1 1 A 30 30 GLY HA2 H 72 5.001 4.094 0.907 1
1 337 . 17 1 1 A 30 30 GLY HA3 H 72 3.991 4.127 -0.136 1
1 338 . 17 1 1 A 30 30 GLY C C 72 172.906 171.107 1.799 1
1 339 . 17 1 1 A 30 30 GLY CA C 72 45.642 45.068 0.574 1
1 340 . 17 1 1 A 30 30 GLY N N 72 109.355 109.428 -0.073 1
1 341 . 17 1 1 A 31 31 VAL H H 73 9.332 8.555 0.777 1
1 342 . 17 1 1 A 31 31 VAL HA H 73 5.194 5.071 0.123 1
1 350 . 17 1 1 A 31 31 VAL C C 73 171.443 173.250 -1.807 1
1 351 . 17 1 1 A 31 31 VAL CA C 73 60.233 59.625 0.608 1
1 352 . 17 1 1 A 31 31 VAL CB C 73 35.471 35.830 -0.359 1
1 355 . 17 1 1 A 31 31 VAL N N 73 116.539 118.796 -2.257 1
1 356 . 17 1 1 A 32 32 ARG H H 74 8.956 9.217 -0.261 1
1 357 . 17 1 1 A 32 32 ARG HA H 74 5.999 5.926 0.073 1
1 365 . 17 1 1 A 32 32 ARG C C 74 174.581 175.143 -0.562 1
1 366 . 17 1 1 A 32 32 ARG CA C 74 54.187 54.503 -0.316 1
1 367 . 17 1 1 A 32 32 ARG CB C 74 33.463 33.472 -0.009 1
1 370 . 17 1 1 A 32 32 ARG N N 74 127.557 128.481 -0.924 1
1 372 . 17 1 1 A 33 33 PHE H H 75 9.262 8.732 0.530 1
1 373 . 17 1 1 A 33 33 PHE HA H 75 5.461 5.493 -0.032 1
1 381 . 17 1 1 A 33 33 PHE C C 75 171.210 172.889 -1.679 1
1 382 . 17 1 1 A 33 33 PHE CA C 75 55.947 56.039 -0.092 1
1 383 . 17 1 1 A 33 33 PHE CB C 75 41.151 41.674 -0.523 1
1 389 . 17 1 1 A 33 33 PHE N N 75 120.514 121.341 -0.827 1
1 390 . 17 1 1 A 34 34 ARG H H 76 9.921 8.287 1.634 1
1 391 . 17 1 1 A 34 34 ARG HA H 76 4.368 4.368 0.000 1
1 399 . 17 1 1 A 34 34 ARG C C 76 173.994 174.967 -0.973 1
1 400 . 17 1 1 A 34 34 ARG CA C 76 54.594 54.652 -0.058 1
1 401 . 17 1 1 A 34 34 ARG CB C 76 31.539 30.683 0.856 1
1 404 . 17 1 1 A 34 34 ARG N N 76 122.011 118.467 3.544 1
1 406 . 17 1 1 A 35 35 LEU H H 77 8.781 8.537 0.244 1
1 407 . 17 1 1 A 35 35 LEU HA H 77 4.755 4.702 0.053 1
1 417 . 17 1 1 A 35 35 LEU C C 77 176.305 175.585 0.720 1
1 418 . 17 1 1 A 35 35 LEU CA C 77 53.188 55.062 -1.874 1
1 419 . 17 1 1 A 35 35 LEU CB C 77 44.689 42.426 2.263 1
1 423 . 17 1 1 A 35 35 LEU N N 77 127.038 126.553 0.485 1
1 424 . 17 1 1 A 36 36 GLU H H 78 9.342 8.711 0.631 1
1 425 . 17 1 1 A 36 36 GLU HA H 78 4.531 4.485 0.046 1
1 430 . 17 1 1 A 36 36 GLU C C 78 175.380 175.698 -0.318 1
1 431 . 17 1 1 A 36 36 GLU CA C 78 54.829 56.099 -1.270 1
1 432 . 17 1 1 A 36 36 GLU CB C 78 29.842 30.099 -0.257 1
1 434 . 17 1 1 A 36 36 GLU N N 78 126.891 126.901 -0.010 1
1 435 . 17 1 1 A 37 37 ASP H H 79 8.418 8.444 -0.026 1
1 436 . 17 1 1 A 37 37 ASP HA H 79 4.630 4.499 0.131 1
1 439 . 17 1 1 A 37 37 ASP C C 79 176.623 176.625 -0.002 1
1 440 . 17 1 1 A 37 37 ASP CA C 79 53.996 54.762 -0.766 1
1 441 . 17 1 1 A 37 37 ASP CB C 79 41.401 41.627 -0.226 1
1 442 . 17 1 1 A 37 37 ASP N N 79 125.084 124.729 0.355 1
1 443 . 17 1 1 A 38 38 LYS H H 80 8.691 8.646 0.045 1
1 444 . 17 1 1 A 38 38 LYS HA H 80 4.064 3.875 0.189 1
1 453 . 17 1 1 A 38 38 LYS C C 80 176.779 176.610 0.169 1
1 454 . 17 1 1 A 38 38 LYS CA C 80 57.994 57.564 0.430 1
1 455 . 17 1 1 A 38 38 LYS CB C 80 32.404 32.215 0.189 1
1 459 . 17 1 1 A 38 38 LYS N N 80 124.179 122.246 1.933 1
1 460 . 17 1 1 A 39 39 ASP H H 81 8.355 8.989 -0.634 1
1 461 . 17 1 1 A 39 39 ASP HA H 81 4.591 4.202 0.389 1
1 464 . 17 1 1 A 39 39 ASP C C 81 175.682 174.359 1.323 1
1 465 . 17 1 1 A 39 39 ASP CA C 81 54.888 55.659 -0.771 1
1 466 . 17 1 1 A 39 39 ASP CB C 81 41.040 39.198 1.842 1
1 467 . 17 1 1 A 39 39 ASP N N 81 117.392 122.050 -4.658 1
1 468 . 17 1 1 A 40 40 ASN H H 82 7.954 8.175 -0.221 1
1 469 . 17 1 1 A 40 40 ASN HA H 82 4.785 4.916 -0.131 1
1 474 . 17 1 1 A 40 40 ASN C C 82 175.435 175.100 0.335 1
1 475 . 17 1 1 A 40 40 ASN CA C 82 53.032 52.017 1.015 1
1 476 . 17 1 1 A 40 40 ASN CB C 82 38.471 38.737 -0.266 1
1 478 . 17 1 1 A 40 40 ASN N N 82 117.785 116.730 1.055 1
1 480 . 17 1 1 A 41 41 THR H H 83 8.518 8.678 -0.160 1
1 481 . 17 1 1 A 41 41 THR HA H 83 4.243 4.278 -0.035 1
1 486 . 17 1 1 A 41 41 THR C C 83 175.191 176.099 -0.908 1
1 487 . 17 1 1 A 41 41 THR CA C 83 63.584 63.824 -0.240 1
1 488 . 17 1 1 A 41 41 THR CB C 83 69.267 69.085 0.182 1
1 490 . 17 1 1 A 41 41 THR N N 83 114.265 120.135 -5.870 1
1 491 . 17 1 1 A 42 42 SER H H 84 8.179 8.141 0.038 1
1 492 . 17 1 1 A 42 42 SER HA H 84 4.439 4.524 -0.085 1
1 495 . 17 1 1 A 42 42 SER C C 84 174.269 174.535 -0.266 1
1 496 . 17 1 1 A 42 42 SER CA C 84 59.222 59.096 0.126 1
1 497 . 17 1 1 A 42 42 SER CB C 84 63.627 63.511 0.116 1
1 498 . 17 1 1 A 42 42 SER N N 84 115.576 115.142 0.434 1
1 499 . 17 1 1 A 43 43 LYS H H 85 7.911 7.428 0.483 1
1 500 . 17 1 1 A 43 43 LYS HA H 85 4.460 4.720 -0.260 1
1 509 . 17 1 1 A 43 43 LYS C C 85 175.440 174.542 0.898 1
1 510 . 17 1 1 A 43 43 LYS CA C 85 55.961 55.511 0.450 1
1 511 . 17 1 1 A 43 43 LYS CB C 85 33.032 33.871 -0.839 1
1 515 . 17 1 1 A 43 43 LYS N N 85 123.691 121.493 2.198 1
1 516 . 17 1 1 A 44 44 THR H H 86 8.165 8.547 -0.382 1
1 517 . 17 1 1 A 44 44 THR HA H 86 4.904 5.311 -0.407 1
1 522 . 17 1 1 A 44 44 THR C C 86 173.685 173.799 -0.114 1
1 523 . 17 1 1 A 44 44 THR CA C 86 60.794 60.690 0.104 1
1 524 . 17 1 1 A 44 44 THR CB C 86 71.046 69.917 1.129 1
1 526 . 17 1 1 A 44 44 THR N N 86 117.392 117.375 0.017 1
1 527 . 17 1 1 A 45 45 VAL H H 87 8.155 8.543 -0.388 1
1 528 . 17 1 1 A 45 45 VAL HA H 87 4.402 4.413 -0.011 1
1 536 . 17 1 1 A 45 45 VAL C C 87 174.343 175.593 -1.250 1
1 537 . 17 1 1 A 45 45 VAL CA C 87 60.551 61.076 -0.525 1
1 538 . 17 1 1 A 45 45 VAL CB C 87 35.225 33.703 1.522 1
1 541 . 17 1 1 A 45 45 VAL N N 87 123.105 125.588 -2.483 1
1 542 . 17 1 1 A 46 46 TRP H H 88 8.574 8.333 0.241 1
1 543 . 17 1 1 A 46 46 TRP HA H 88 4.789 4.918 -0.129 1
1 552 . 17 1 1 A 46 46 TRP C C 88 175.287 176.731 -1.444 1
1 553 . 17 1 1 A 46 46 TRP CA C 88 57.716 57.164 0.552 1
1 554 . 17 1 1 A 46 46 TRP CB C 88 30.822 30.805 0.017 1
1 560 . 17 1 1 A 46 46 TRP N N 88 126.326 127.726 -1.400 1
1 562 . 17 1 1 A 47 47 VAL H H 89 9.550 8.589 0.961 1
1 563 . 17 1 1 A 47 47 VAL HA H 89 4.884 4.959 -0.075 1
1 571 . 17 1 1 A 47 47 VAL C C 89 173.675 174.477 -0.802 1
1 572 . 17 1 1 A 47 47 VAL CA C 89 60.713 61.172 -0.459 1
1 573 . 17 1 1 A 47 47 VAL CB C 89 33.847 33.822 0.025 1
1 576 . 17 1 1 A 47 47 VAL N N 89 123.380 121.267 2.113 1
1 577 . 17 1 1 A 48 48 LEU H H 90 8.757 9.138 -0.381 1
1 578 . 17 1 1 A 48 48 LEU HA H 90 5.181 4.860 0.321 1
1 588 . 17 1 1 A 48 48 LEU C C 90 175.118 174.907 0.211 1
1 589 . 17 1 1 A 48 48 LEU CA C 90 53.567 53.624 -0.057 1
1 590 . 17 1 1 A 48 48 LEU CB C 90 45.758 43.069 2.689 1
1 594 . 17 1 1 A 48 48 LEU N N 90 125.653 129.977 -4.324 1
1 595 . 17 1 1 A 49 49 TYR H H 91 9.355 9.054 0.301 1
1 596 . 17 1 1 A 49 49 TYR HA H 91 5.196 5.225 -0.029 1
1 603 . 17 1 1 A 49 49 TYR C C 91 172.437 174.220 -1.783 1
1 604 . 17 1 1 A 49 49 TYR CA C 91 56.490 56.388 0.102 1
1 605 . 17 1 1 A 49 49 TYR CB C 91 41.602 41.244 0.358 1
1 610 . 17 1 1 A 49 49 TYR N N 91 129.351 128.853 0.498 1
1 611 . 17 1 1 A 50 50 LYS H H 92 7.805 8.169 -0.364 1
1 612 . 17 1 1 A 50 50 LYS HA H 92 4.450 4.758 -0.308 1
1 621 . 17 1 1 A 50 50 LYS C C 92 173.949 175.235 -1.286 1
1 622 . 17 1 1 A 50 50 LYS CA C 92 55.264 54.335 0.929 1
1 623 . 17 1 1 A 50 50 LYS CB C 92 32.484 35.674 -3.190 1
1 627 . 17 1 1 A 50 50 LYS N N 92 127.571 126.224 1.347 1
1 628 . 17 1 1 A 51 51 GLY H H 93 7.147 8.219 -1.072 1
1 629 . 17 1 1 A 51 51 GLY HA2 H 93 3.810 3.930 -0.120 1
1 630 . 17 1 1 A 51 51 GLY HA3 H 93 3.609 4.018 -0.409 1
1 631 . 17 1 1 A 51 51 GLY C C 93 170.582 173.087 -2.505 1
1 632 . 17 1 1 A 51 51 GLY CA C 93 43.645 43.650 -0.005 1
1 633 . 17 1 1 A 51 51 GLY N N 93 111.723 108.842 2.881 1
1 634 . 17 1 1 A 52 52 ALA H H 94 8.185 8.144 0.041 1
1 635 . 17 1 1 A 52 52 ALA HA H 94 4.273 4.434 -0.161 1
1 639 . 17 1 1 A 52 52 ALA C C 94 178.775 177.459 1.316 1
1 640 . 17 1 1 A 52 52 ALA CA C 94 52.381 52.211 0.170 1
1 641 . 17 1 1 A 52 52 ALA CB C 94 18.392 19.148 -0.756 1
1 642 . 17 1 1 A 52 52 ALA N N 94 119.165 122.725 -3.560 1
1 643 . 17 1 1 A 53 53 VAL H H 95 8.967 8.642 0.325 1
1 644 . 17 1 1 A 53 53 VAL HA H 95 4.200 4.472 -0.272 1
1 652 . 17 1 1 A 53 53 VAL C C 95 174.416 174.771 -0.355 1
1 653 . 17 1 1 A 53 53 VAL CA C 95 60.028 60.453 -0.425 1
1 654 . 17 1 1 A 53 53 VAL CB C 95 32.712 32.072 0.640 1
1 657 . 17 1 1 A 53 53 VAL N N 95 127.597 124.486 3.111 1
1 658 . 17 1 1 A 54 54 PRO HA H 96 4.609 4.647 -0.038 1
1 665 . 17 1 1 A 54 54 PRO C C 96 177.752 177.256 0.496 1
1 666 . 17 1 1 A 54 54 PRO CA C 96 62.907 62.893 0.014 1
1 667 . 17 1 1 A 54 54 PRO CB C 96 32.850 32.847 0.003 1
1 670 . 17 1 1 A 55 55 ASP H H 97 9.047 9.124 -0.077 1
1 671 . 17 1 1 A 55 55 ASP HA H 97 4.459 4.419 0.040 1
1 674 . 17 1 1 A 55 55 ASP C C 97 176.541 177.902 -1.361 1
1 675 . 17 1 1 A 55 55 ASP CA C 97 56.434 56.885 -0.451 1
1 676 . 17 1 1 A 55 55 ASP CB C 97 39.845 40.450 -0.605 1
1 677 . 17 1 1 A 55 55 ASP N N 97 122.223 124.121 -1.898 1
1 678 . 17 1 1 A 56 56 THR H H 98 7.196 8.013 -0.817 1
1 679 . 17 1 1 A 56 56 THR HA H 98 4.105 4.010 0.095 1
1 684 . 17 1 1 A 56 56 THR C C 98 174.743 175.008 -0.265 1
1 685 . 17 1 1 A 56 56 THR CA C 98 60.857 64.224 -3.367 1
1 686 . 17 1 1 A 56 56 THR CB C 98 69.227 68.862 0.365 1
1 688 . 17 1 1 A 56 56 THR N N 98 105.196 113.804 -8.608 1
1 689 . 17 1 1 A 57 57 PHE H H 99 7.766 7.738 0.028 1
1 690 . 17 1 1 A 57 57 PHE HA H 99 3.752 4.438 -0.686 1
1 698 . 17 1 1 A 57 57 PHE C C 99 172.629 174.574 -1.945 1
1 699 . 17 1 1 A 57 57 PHE CA C 99 60.570 58.242 2.328 1
1 700 . 17 1 1 A 57 57 PHE CB C 99 40.156 39.095 1.061 1
1 706 . 17 1 1 A 57 57 PHE N N 99 122.514 122.675 -0.161 1
1 707 . 17 1 1 A 58 58 LYS H H 100 6.468 8.359 -1.891 1
1 708 . 17 1 1 A 58 58 LYS HA H 100 4.409 4.506 -0.097 1
1 717 . 17 1 1 A 58 58 LYS C C 100 171.564 173.351 -1.787 1
1 718 . 17 1 1 A 58 58 LYS CA C 100 53.643 52.816 0.827 1
1 719 . 17 1 1 A 58 58 LYS CB C 100 32.382 34.190 -1.808 1
1 723 . 17 1 1 A 58 58 LYS N N 100 125.478 126.704 -1.226 1
1 724 . 17 1 1 A 59 59 PRO HA H 101 3.708 4.001 -0.293 1
1 731 . 17 1 1 A 59 59 PRO C C 101 176.868 177.329 -0.461 1
1 732 . 17 1 1 A 59 59 PRO CA C 101 63.881 63.395 0.486 1
1 733 . 17 1 1 A 59 59 PRO CB C 101 31.168 31.433 -0.265 1
1 736 . 17 1 1 A 60 60 GLY H H 102 9.269 8.521 0.748 1
1 737 . 17 1 1 A 60 60 GLY HA2 H 102 4.299 3.832 0.467 1
1 738 . 17 1 1 A 60 60 GLY HA3 H 102 3.502 3.840 -0.338 1
1 739 . 17 1 1 A 60 60 GLY C C 102 174.023 173.721 0.302 1
1 740 . 17 1 1 A 60 60 GLY CA C 102 45.005 45.220 -0.215 1
1 741 . 17 1 1 A 60 60 GLY N N 102 112.023 111.774 0.249 1
1 742 . 17 1 1 A 61 61 VAL H H 103 7.321 7.662 -0.341 1
1 743 . 17 1 1 A 61 61 VAL HA H 103 4.279 4.338 -0.059 1
1 751 . 17 1 1 A 61 61 VAL C C 103 174.073 175.201 -1.128 1
1 752 . 17 1 1 A 61 61 VAL CA C 103 61.277 61.139 0.138 1
1 753 . 17 1 1 A 61 61 VAL CB C 103 32.882 32.973 -0.091 1
1 756 . 17 1 1 A 61 61 VAL N N 103 118.571 121.843 -3.272 1
1 757 . 17 1 1 A 62 62 GLU H H 104 8.204 8.495 -0.291 1
1 758 . 17 1 1 A 62 62 GLU HA H 104 4.946 4.455 0.491 1
1 763 . 17 1 1 A 62 62 GLU C C 104 176.252 176.709 -0.457 1
1 764 . 17 1 1 A 62 62 GLU CA C 104 55.398 56.712 -1.314 1
1 765 . 17 1 1 A 62 62 GLU CB C 104 30.129 30.116 0.013 1
1 767 . 17 1 1 A 62 62 GLU N N 104 123.214 126.037 -2.823 1
1 768 . 17 1 1 A 63 63 VAL H H 105 9.066 8.946 0.120 1
1 769 . 17 1 1 A 63 63 VAL HA H 105 5.297 4.979 0.318 1
1 777 . 17 1 1 A 63 63 VAL C C 105 173.913 174.558 -0.645 1
1 778 . 17 1 1 A 63 63 VAL CA C 105 58.284 59.231 -0.947 1
1 779 . 17 1 1 A 63 63 VAL CB C 105 36.265 35.713 0.552 1
1 782 . 17 1 1 A 63 63 VAL N N 105 115.526 118.415 -2.889 1
1 783 . 17 1 1 A 64 64 ILE H H 106 8.542 9.056 -0.514 1
1 784 . 17 1 1 A 64 64 ILE HA H 106 4.775 4.897 -0.122 1
1 794 . 17 1 1 A 64 64 ILE C C 106 176.511 175.537 0.974 1
1 795 . 17 1 1 A 64 64 ILE CA C 106 60.804 59.668 1.136 1
1 796 . 17 1 1 A 64 64 ILE CB C 106 40.991 40.514 0.477 1
1 800 . 17 1 1 A 64 64 ILE N N 106 120.283 123.702 -3.419 1
1 801 . 17 1 1 A 65 65 ILE H H 107 8.944 8.706 0.238 1
1 802 . 17 1 1 A 65 65 ILE HA H 107 5.197 5.152 0.045 1
1 812 . 17 1 1 A 65 65 ILE C C 107 174.076 174.428 -0.352 1
1 813 . 17 1 1 A 65 65 ILE CA C 107 58.384 58.421 -0.037 1
1 814 . 17 1 1 A 65 65 ILE CB C 107 42.082 41.669 0.413 1
1 818 . 17 1 1 A 65 65 ILE N N 107 122.157 122.797 -0.640 1
1 819 . 17 1 1 A 66 66 GLU H H 108 7.762 8.483 -0.721 1
1 820 . 17 1 1 A 66 66 GLU HA H 108 5.801 5.483 0.318 1
1 825 . 17 1 1 A 66 66 GLU C C 108 176.789 176.004 0.785 1
1 826 . 17 1 1 A 66 66 GLU CA C 108 54.063 54.901 -0.838 1
1 827 . 17 1 1 A 66 66 GLU CB C 108 32.818 33.693 -0.875 1
1 829 . 17 1 1 A 66 66 GLU N N 108 119.473 121.547 -2.074 1
1 830 . 17 1 1 A 67 67 GLY H H 109 9.064 8.360 0.704 1
1 831 . 17 1 1 A 67 67 GLY HA2 H 109 4.773 4.029 0.744 1
1 832 . 17 1 1 A 67 67 GLY HA3 H 109 3.948 4.217 -0.269 1
1 833 . 17 1 1 A 67 67 GLY C C 109 170.431 172.150 -1.719 1
1 834 . 17 1 1 A 67 67 GLY CA C 109 46.598 45.885 0.713 1
1 835 . 17 1 1 A 67 67 GLY N N 109 112.366 108.976 3.390 1
1 836 . 17 1 1 A 68 68 GLY H H 110 7.116 7.785 -0.669 1
1 837 . 17 1 1 A 68 68 GLY HA2 H 110 3.949 4.069 -0.120 1
1 838 . 17 1 1 A 68 68 GLY HA3 H 110 3.732 4.098 -0.366 1
1 839 . 17 1 1 A 68 68 GLY C C 110 170.827 171.589 -0.762 1
1 840 . 17 1 1 A 68 68 GLY CA C 110 45.228 45.359 -0.131 1
1 841 . 17 1 1 A 68 68 GLY N N 110 109.402 111.179 -1.777 1
1 842 . 17 1 1 A 69 69 LEU H H 111 8.542 8.854 -0.312 1
1 843 . 17 1 1 A 69 69 LEU HA H 111 4.546 5.061 -0.515 1
1 853 . 17 1 1 A 69 69 LEU C C 111 175.890 174.036 1.854 1
1 854 . 17 1 1 A 69 69 LEU CA C 111 54.400 53.915 0.485 1
1 855 . 17 1 1 A 69 69 LEU CB C 111 43.814 46.468 -2.654 1
1 859 . 17 1 1 A 69 69 LEU N N 111 122.808 122.981 -0.173 1
1 860 . 17 1 1 A 70 70 ALA H H 112 8.889 8.647 0.242 1
1 861 . 17 1 1 A 70 70 ALA HA H 112 4.639 4.608 0.031 1
1 865 . 17 1 1 A 70 70 ALA C C 112 174.900 177.170 -2.270 1
1 866 . 17 1 1 A 70 70 ALA CA C 112 49.951 50.247 -0.296 1
1 867 . 17 1 1 A 70 70 ALA CB C 112 18.111 19.321 -1.210 1
1 868 . 17 1 1 A 70 70 ALA N N 112 130.675 128.411 2.264 1
1 869 . 17 1 1 A 71 71 PRO HA H 113 4.338 4.364 -0.026 1
1 876 . 17 1 1 A 71 71 PRO C C 113 178.206 177.714 0.492 1
1 877 . 17 1 1 A 71 71 PRO CA C 113 64.055 64.177 -0.122 1
1 878 . 17 1 1 A 71 71 PRO CB C 113 31.754 31.938 -0.184 1
1 881 . 17 1 1 A 72 72 GLY H H 114 8.748 8.576 0.172 1
1 882 . 17 1 1 A 72 72 GLY HA2 H 114 4.165 3.967 0.198 1
1 883 . 17 1 1 A 72 72 GLY HA3 H 114 3.775 3.971 -0.196 1
1 884 . 17 1 1 A 72 72 GLY C C 114 174.200 173.667 0.533 1
1 885 . 17 1 1 A 72 72 GLY CA C 114 45.602 45.404 0.198 1
1 886 . 17 1 1 A 72 72 GLY N N 114 111.945 106.783 5.162 1
1 887 . 17 1 1 A 73 73 GLU H H 115 7.931 7.869 0.062 1
1 888 . 17 1 1 A 73 73 GLU HA H 115 4.581 4.594 -0.013 1
1 893 . 17 1 1 A 73 73 GLU C C 115 175.843 175.773 0.070 1
1 894 . 17 1 1 A 73 73 GLU CA C 115 55.732 55.068 0.664 1
1 895 . 17 1 1 A 73 73 GLU CB C 115 31.128 31.814 -0.686 1
1 897 . 17 1 1 A 73 73 GLU N N 115 118.591 121.435 -2.844 1
1 898 . 17 1 1 A 74 74 ASP H H 116 8.467 8.532 -0.065 1
1 899 . 17 1 1 A 74 74 ASP HA H 116 4.823 4.718 0.105 1
1 902 . 17 1 1 A 74 74 ASP C C 116 175.848 175.912 -0.064 1
1 903 . 17 1 1 A 74 74 ASP CA C 116 53.831 55.670 -1.839 1
1 904 . 17 1 1 A 74 74 ASP CB C 116 41.052 42.239 -1.187 1
1 905 . 17 1 1 A 74 74 ASP N N 116 118.021 123.139 -5.118 1
1 906 . 17 1 1 A 75 75 THR H H 117 7.301 7.420 -0.119 1
1 907 . 17 1 1 A 75 75 THR HA H 117 4.620 4.952 -0.332 1
1 912 . 17 1 1 A 75 75 THR C C 117 172.120 173.549 -1.429 1
1 913 . 17 1 1 A 75 75 THR CA C 117 61.907 61.220 0.687 1
1 914 . 17 1 1 A 75 75 THR CB C 117 71.398 70.122 1.276 1
1 916 . 17 1 1 A 75 75 THR N N 117 114.820 115.481 -0.661 1
1 917 . 17 1 1 A 76 76 PHE H H 118 9.657 9.179 0.478 1
1 918 . 17 1 1 A 76 76 PHE HA H 118 4.290 4.645 -0.355 1
1 926 . 17 1 1 A 76 76 PHE C C 118 174.118 174.246 -0.128 1
1 927 . 17 1 1 A 76 76 PHE CA C 118 58.185 58.094 0.091 1
1 928 . 17 1 1 A 76 76 PHE CB C 118 40.718 39.636 1.082 1
1 934 . 17 1 1 A 76 76 PHE N N 118 130.378 129.500 0.878 1
1 935 . 17 1 1 A 77 77 LYS H H 119 8.364 8.156 0.208 1
1 936 . 17 1 1 A 77 77 LYS HA H 119 4.853 4.479 0.374 1
1 945 . 17 1 1 A 77 77 LYS C C 119 175.278 174.298 0.980 1
1 946 . 17 1 1 A 77 77 LYS CA C 119 55.282 55.629 -0.347 1
1 947 . 17 1 1 A 77 77 LYS CB C 119 31.319 33.116 -1.797 1
1 951 . 17 1 1 A 77 77 LYS N N 119 129.777 128.085 1.692 1
1 952 . 17 1 1 A 78 78 ALA H H 120 8.837 8.574 0.263 1
1 953 . 17 1 1 A 78 78 ALA HA H 120 4.828 4.691 0.137 1
1 957 . 17 1 1 A 78 78 ALA C C 120 176.015 178.689 -2.674 1
1 958 . 17 1 1 A 78 78 ALA CA C 120 51.435 52.031 -0.596 1
1 959 . 17 1 1 A 78 78 ALA CB C 120 20.006 19.479 0.527 1
1 960 . 17 1 1 A 78 78 ALA N N 120 129.771 129.411 0.360 1
1 961 . 17 1 1 A 79 79 ARG H H 121 9.846 8.629 1.217 1
1 962 . 17 1 1 A 79 79 ARG HA H 121 4.582 4.165 0.417 1
1 970 . 17 1 1 A 79 79 ARG C C 121 176.651 176.330 0.321 1
1 971 . 17 1 1 A 79 79 ARG CA C 121 57.420 58.028 -0.608 1
1 972 . 17 1 1 A 79 79 ARG CB C 121 31.773 30.163 1.610 1
1 975 . 17 1 1 A 79 79 ARG N N 121 125.113 122.515 2.598 1
1 977 . 17 1 1 A 80 80 THR H H 122 7.938 7.843 0.095 1
1 978 . 17 1 1 A 80 80 THR HA H 122 4.921 5.091 -0.170 1
1 983 . 17 1 1 A 80 80 THR C C 122 172.002 172.766 -0.764 1
1 984 . 17 1 1 A 80 80 THR CA C 122 60.475 60.218 0.257 1
1 985 . 17 1 1 A 80 80 THR CB C 122 72.093 71.585 0.508 1
1 987 . 17 1 1 A 80 80 THR N N 122 109.595 109.514 0.081 1
1 988 . 17 1 1 A 81 81 LEU H H 123 8.196 8.797 -0.601 1
1 989 . 17 1 1 A 81 81 LEU HA H 123 4.701 4.813 -0.112 1
1 999 . 17 1 1 A 81 81 LEU C C 123 173.804 174.058 -0.254 1
1 1000 . 17 1 1 A 81 81 LEU CA C 123 55.357 53.611 1.746 1
1 1001 . 17 1 1 A 81 81 LEU CB C 123 44.009 43.838 0.171 1
1 1005 . 17 1 1 A 81 81 LEU N N 123 123.214 124.431 -1.217 1
1 1006 . 17 1 1 A 82 82 MET H H 124 8.700 8.811 -0.111 1
1 1007 . 17 1 1 A 82 82 MET HA H 124 4.841 5.203 -0.362 1
1 1015 . 17 1 1 A 82 82 MET C C 124 175.097 175.892 -0.795 1
1 1016 . 17 1 1 A 82 82 MET CA C 124 54.190 54.144 0.046 1
1 1017 . 17 1 1 A 82 82 MET CB C 124 36.191 36.075 0.116 1
1 1020 . 17 1 1 A 82 82 MET N N 124 124.452 126.916 -2.464 1
1 1021 . 17 1 1 A 83 83 THR H H 125 8.671 8.690 -0.019 1
1 1022 . 17 1 1 A 83 83 THR HA H 125 4.934 4.772 0.162 1
1 1027 . 17 1 1 A 83 83 THR C C 125 174.094 175.489 -1.395 1
1 1028 . 17 1 1 A 83 83 THR CA C 125 60.253 60.507 -0.254 1
1 1029 . 17 1 1 A 83 83 THR CB C 125 69.831 71.585 -1.754 1
1 1031 . 17 1 1 A 83 83 THR N N 125 113.070 115.691 -2.621 1
1 1032 . 17 1 1 A 84 84 LYS H H 126 8.419 9.078 -0.659 1
1 1033 . 17 1 1 A 84 84 LYS HA H 126 4.446 4.047 0.399 1
1 1042 . 17 1 1 A 84 84 LYS C C 126 175.461 176.080 -0.619 1
1 1043 . 17 1 1 A 84 84 LYS CA C 126 55.500 59.726 -4.226 1
1 1044 . 17 1 1 A 84 84 LYS CB C 126 33.736 32.927 0.809 1
1 1048 . 17 1 1 A 84 84 LYS N N 126 123.139 122.121 1.018 1
1 1049 . 17 1 1 A 85 85 CYS H H 127 8.543 8.059 0.484 1
1 1050 . 17 1 1 A 85 85 CYS HA H 127 4.795 4.640 0.155 1
1 1053 . 17 1 1 A 85 85 CYS C C 127 172.809 173.942 -1.133 1
1 1054 . 17 1 1 A 85 85 CYS CA C 127 56.423 56.767 -0.344 1
1 1055 . 17 1 1 A 85 85 CYS CB C 127 27.739 28.520 -0.781 1
1 1056 . 17 1 1 A 85 85 CYS N N 127 123.709 117.101 6.608 1
1 1057 . 17 1 1 A 86 86 PRO HA H 128 4.439 4.720 -0.281 1
1 1064 . 17 1 1 A 86 86 PRO C C 128 176.560 175.715 0.845 1
1 1065 . 17 1 1 A 86 86 PRO CA C 128 63.292 62.246 1.046 1
1 1066 . 17 1 1 A 86 86 PRO CB C 128 32.165 29.227 2.938 1
1 1069 . 17 1 1 A 87 87 LEU H H 129 8.274 8.380 -0.106 1
1 1070 . 17 1 1 A 87 87 LEU HA H 129 4.256 4.482 -0.226 1
1 1080 . 17 1 1 A 87 87 LEU C C 129 177.141 175.270 1.871 1
1 1081 . 17 1 1 A 87 87 LEU CA C 129 55.281 55.095 0.186 1
1 1082 . 17 1 1 A 87 87 LEU CB C 129 42.299 42.271 0.028 1
1 1086 . 17 1 1 A 87 87 LEU N N 129 122.188 125.093 -2.905 1
1 1 . 18 1 1 A 2 2 ALA HA H 44 4.214 4.764 -0.550 1
1 5 . 18 1 1 A 2 2 ALA C C 44 173.758 176.041 -2.283 1
1 6 . 18 1 1 A 2 2 ALA CA C 44 51.848 51.374 0.474 1
1 7 . 18 1 1 A 2 2 ALA CB C 44 19.505 23.014 -3.509 1
1 8 . 18 1 1 A 3 3 THR H H 45 8.709 8.456 0.253 1
1 9 . 18 1 1 A 3 3 THR HA H 45 4.694 4.559 0.135 1
1 14 . 18 1 1 A 3 3 THR CA C 45 60.191 60.239 -0.048 1
1 15 . 18 1 1 A 3 3 THR CB C 45 69.815 69.052 0.763 1
1 17 . 18 1 1 A 3 3 THR N N 45 116.649 112.946 3.703 1
1 18 . 18 1 1 A 4 4 PRO HA H 46 4.412 4.550 -0.138 1
1 25 . 18 1 1 A 4 4 PRO C C 46 177.212 176.710 0.502 1
1 26 . 18 1 1 A 4 4 PRO CA C 46 63.698 62.664 1.034 1
1 27 . 18 1 1 A 4 4 PRO CB C 46 32.117 31.998 0.119 1
1 30 . 18 1 1 A 5 5 GLN H H 47 8.463 8.330 0.133 1
1 31 . 18 1 1 A 5 5 GLN HA H 47 4.260 4.318 -0.058 1
1 38 . 18 1 1 A 5 5 GLN C C 47 176.073 175.378 0.695 1
1 39 . 18 1 1 A 5 5 GLN CA C 47 56.328 55.598 0.730 1
1 40 . 18 1 1 A 5 5 GLN CB C 47 29.286 28.993 0.293 1
1 43 . 18 1 1 A 5 5 GLN N N 47 119.945 119.252 0.693 1
1 45 . 18 1 1 A 6 6 ASP H H 48 8.276 8.684 -0.408 1
1 46 . 18 1 1 A 6 6 ASP HA H 48 4.558 4.822 -0.264 1
1 49 . 18 1 1 A 6 6 ASP C C 48 176.454 176.686 -0.232 1
1 50 . 18 1 1 A 6 6 ASP CA C 48 54.538 53.170 1.368 1
1 51 . 18 1 1 A 6 6 ASP CB C 48 40.873 41.985 -1.112 1
1 52 . 18 1 1 A 6 6 ASP N N 48 120.974 121.434 -0.460 1
1 53 . 18 1 1 A 7 7 LYS H H 49 8.218 8.863 -0.645 1
1 54 . 18 1 1 A 7 7 LYS HA H 49 4.264 4.552 -0.288 1
1 63 . 18 1 1 A 7 7 LYS C C 49 176.665 177.005 -0.340 1
1 64 . 18 1 1 A 7 7 LYS CA C 49 56.655 56.039 0.616 1
1 65 . 18 1 1 A 7 7 LYS CB C 49 32.837 32.233 0.604 1
1 69 . 18 1 1 A 7 7 LYS N N 49 120.950 118.864 2.086 1
1 70 . 18 1 1 A 8 8 LEU H H 50 8.010 7.389 0.621 1
1 71 . 18 1 1 A 8 8 LEU HA H 50 4.279 4.105 0.174 1
1 81 . 18 1 1 A 8 8 LEU C C 50 177.110 177.033 0.077 1
1 82 . 18 1 1 A 8 8 LEU CA C 50 55.353 56.250 -0.897 1
1 83 . 18 1 1 A 8 8 LEU CB C 50 42.302 43.017 -0.715 1
1 87 . 18 1 1 A 8 8 LEU N N 50 121.105 118.937 2.168 1
1 88 . 18 1 1 A 9 9 HIS H H 51 8.411 7.850 0.561 1
1 89 . 18 1 1 A 9 9 HIS HA H 51 4.780 4.847 -0.067 1
1 92 . 18 1 1 A 9 9 HIS C C 51 174.285 174.709 -0.424 1
1 93 . 18 1 1 A 9 9 HIS CA C 51 55.320 54.414 0.906 1
1 94 . 18 1 1 A 9 9 HIS CB C 51 28.827 27.825 1.002 1
1 95 . 18 1 1 A 9 9 HIS N N 51 119.035 114.388 4.647 1
1 96 . 18 1 1 A 10 10 THR H H 52 8.178 8.416 -0.238 1
1 97 . 18 1 1 A 10 10 THR HA H 52 4.488 4.300 0.188 1
1 102 . 18 1 1 A 10 10 THR C C 52 173.766 174.010 -0.244 1
1 103 . 18 1 1 A 10 10 THR CA C 52 62.392 60.230 2.162 1
1 104 . 18 1 1 A 10 10 THR CB C 52 70.104 70.414 -0.310 1
1 106 . 18 1 1 A 10 10 THR N N 52 117.285 118.030 -0.745 1
1 107 . 18 1 1 A 11 11 VAL H H 53 9.088 8.236 0.852 1
1 108 . 18 1 1 A 11 11 VAL HA H 53 4.464 4.564 -0.100 1
1 116 . 18 1 1 A 11 11 VAL C C 53 174.048 175.090 -1.042 1
1 117 . 18 1 1 A 11 11 VAL CA C 53 61.359 61.668 -0.309 1
1 118 . 18 1 1 A 11 11 VAL CB C 53 34.602 32.543 2.059 1
1 121 . 18 1 1 A 11 11 VAL N N 53 123.969 122.235 1.734 1
1 122 . 18 1 1 A 12 12 ARG H H 54 8.386 9.262 -0.876 1
1 123 . 18 1 1 A 12 12 ARG HA H 54 5.495 5.236 0.259 1
1 131 . 18 1 1 A 12 12 ARG C C 54 175.364 174.175 1.189 1
1 132 . 18 1 1 A 12 12 ARG CA C 54 54.401 54.353 0.048 1
1 133 . 18 1 1 A 12 12 ARG CB C 54 32.753 33.632 -0.879 1
1 136 . 18 1 1 A 12 12 ARG N N 54 125.294 129.781 -4.487 1
1 138 . 18 1 1 A 13 13 LEU H H 55 8.828 8.675 0.153 1
1 139 . 18 1 1 A 13 13 LEU HA H 55 4.726 4.915 -0.189 1
1 149 . 18 1 1 A 13 13 LEU C C 55 174.223 173.819 0.404 1
1 150 . 18 1 1 A 13 13 LEU CA C 55 53.309 53.814 -0.505 1
1 151 . 18 1 1 A 13 13 LEU CB C 55 45.884 45.857 0.027 1
1 155 . 18 1 1 A 13 13 LEU N N 55 124.874 126.368 -1.494 1
1 156 . 18 1 1 A 14 14 PHE H H 56 8.195 8.911 -0.716 1
1 157 . 18 1 1 A 14 14 PHE HA H 56 5.576 5.419 0.157 1
1 165 . 18 1 1 A 14 14 PHE C C 56 175.266 176.433 -1.167 1
1 166 . 18 1 1 A 14 14 PHE CA C 56 55.009 55.252 -0.243 1
1 167 . 18 1 1 A 14 14 PHE CB C 56 42.340 41.519 0.821 1
1 173 . 18 1 1 A 14 14 PHE N N 56 118.334 124.611 -6.277 1
1 174 . 18 1 1 A 15 15 GLY H H 57 8.134 8.360 -0.226 1
1 175 . 18 1 1 A 15 15 GLY HA2 H 57 4.229 4.301 -0.072 1
1 176 . 18 1 1 A 15 15 GLY HA3 H 57 4.004 4.321 -0.317 1
1 177 . 18 1 1 A 15 15 GLY C C 57 171.108 171.838 -0.730 1
1 178 . 18 1 1 A 15 15 GLY CA C 57 45.857 45.450 0.407 1
1 179 . 18 1 1 A 15 15 GLY N N 57 109.159 109.867 -0.708 1
1 180 . 18 1 1 A 16 16 THR H H 58 8.595 8.471 0.124 1
1 181 . 18 1 1 A 16 16 THR HA H 58 5.114 5.141 -0.027 1
1 186 . 18 1 1 A 16 16 THR C C 58 174.484 174.399 0.085 1
1 187 . 18 1 1 A 16 16 THR CA C 58 60.591 61.327 -0.736 1
1 188 . 18 1 1 A 16 16 THR CB C 58 71.164 71.055 0.109 1
1 190 . 18 1 1 A 16 16 THR N N 58 113.580 115.491 -1.911 1
1 191 . 18 1 1 A 17 17 VAL H H 59 8.053 8.700 -0.647 1
1 192 . 18 1 1 A 17 17 VAL HA H 59 3.876 4.239 -0.363 1
1 200 . 18 1 1 A 17 17 VAL C C 59 176.315 175.941 0.374 1
1 201 . 18 1 1 A 17 17 VAL CA C 59 63.549 63.175 0.374 1
1 202 . 18 1 1 A 17 17 VAL CB C 59 32.779 31.803 0.976 1
1 205 . 18 1 1 A 17 17 VAL N N 59 124.410 127.038 -2.628 1
1 206 . 18 1 1 A 18 18 ALA H H 60 8.931 8.733 0.198 1
1 207 . 18 1 1 A 18 18 ALA HA H 60 4.354 4.378 -0.024 1
1 211 . 18 1 1 A 18 18 ALA C C 60 177.293 178.861 -1.568 1
1 212 . 18 1 1 A 18 18 ALA CA C 60 52.138 52.165 -0.027 1
1 213 . 18 1 1 A 18 18 ALA CB C 60 19.782 19.382 0.400 1
1 214 . 18 1 1 A 18 18 ALA N N 60 133.912 129.458 4.454 1
1 215 . 18 1 1 A 19 19 ALA H H 61 8.548 8.624 -0.076 1
1 216 . 18 1 1 A 19 19 ALA HA H 61 4.105 4.289 -0.184 1
1 220 . 18 1 1 A 19 19 ALA C C 61 178.793 176.962 1.831 1
1 221 . 18 1 1 A 19 19 ALA CA C 61 54.218 53.257 0.961 1
1 222 . 18 1 1 A 19 19 ALA CB C 61 18.969 19.157 -0.188 1
1 223 . 18 1 1 A 19 19 ALA N N 61 121.667 124.025 -2.358 1
1 224 . 18 1 1 A 20 20 ASP H H 62 8.117 8.090 0.027 1
1 225 . 18 1 1 A 20 20 ASP HA H 62 4.602 5.080 -0.478 1
1 228 . 18 1 1 A 20 20 ASP C C 62 177.210 176.236 0.974 1
1 229 . 18 1 1 A 20 20 ASP CA C 62 54.575 52.754 1.821 1
1 230 . 18 1 1 A 20 20 ASP CB C 62 41.188 43.188 -2.000 1
1 231 . 18 1 1 A 20 20 ASP N N 62 115.534 118.998 -3.464 1
1 232 . 18 1 1 A 21 21 GLY H H 63 8.996 8.844 0.152 1
1 233 . 18 1 1 A 21 21 GLY HA2 H 63 4.311 4.177 0.134 1
1 234 . 18 1 1 A 21 21 GLY HA3 H 63 3.888 4.237 -0.349 1
1 235 . 18 1 1 A 21 21 GLY C C 63 173.384 174.595 -1.211 1
1 236 . 18 1 1 A 21 21 GLY CA C 63 46.124 45.098 1.026 1
1 237 . 18 1 1 A 21 21 GLY N N 63 112.754 114.504 -1.750 1
1 238 . 18 1 1 A 22 22 LEU H H 64 7.380 7.950 -0.570 1
1 239 . 18 1 1 A 22 22 LEU HA H 64 4.964 4.878 0.086 1
1 249 . 18 1 1 A 22 22 LEU C C 64 178.011 175.621 2.390 1
1 250 . 18 1 1 A 22 22 LEU CA C 64 57.159 54.815 2.344 1
1 251 . 18 1 1 A 22 22 LEU CB C 64 42.160 42.478 -0.318 1
1 255 . 18 1 1 A 22 22 LEU N N 64 123.991 123.349 0.642 1
1 256 . 18 1 1 A 23 23 THR H H 65 9.752 9.195 0.557 1
1 257 . 18 1 1 A 23 23 THR HA H 65 4.755 4.889 -0.134 1
1 262 . 18 1 1 A 23 23 THR C C 65 173.249 173.557 -0.308 1
1 263 . 18 1 1 A 23 23 THR CA C 65 61.231 61.631 -0.400 1
1 264 . 18 1 1 A 23 23 THR CB C 65 71.995 72.023 -0.028 1
1 266 . 18 1 1 A 23 23 THR N N 65 124.024 123.359 0.665 1
1 267 . 18 1 1 A 24 24 MET H H 66 8.881 8.877 0.004 1
1 268 . 18 1 1 A 24 24 MET HA H 66 5.019 5.068 -0.049 1
1 276 . 18 1 1 A 24 24 MET C C 66 176.750 176.034 0.716 1
1 277 . 18 1 1 A 24 24 MET CA C 66 54.452 54.340 0.112 1
1 278 . 18 1 1 A 24 24 MET CB C 66 31.809 34.245 -2.436 1
1 281 . 18 1 1 A 24 24 MET N N 66 125.215 126.262 -1.047 1
1 282 . 18 1 1 A 25 25 LEU H H 67 8.037 8.356 -0.319 1
1 283 . 18 1 1 A 25 25 LEU HA H 67 4.253 4.502 -0.249 1
1 293 . 18 1 1 A 25 25 LEU C C 67 176.617 176.394 0.223 1
1 294 . 18 1 1 A 25 25 LEU CA C 67 55.259 54.292 0.967 1
1 295 . 18 1 1 A 25 25 LEU CB C 67 41.019 42.645 -1.626 1
1 299 . 18 1 1 A 25 25 LEU N N 67 123.282 121.556 1.726 1
1 300 . 18 1 1 A 26 26 ASP H H 68 8.419 8.919 -0.500 1
1 301 . 18 1 1 A 26 26 ASP HA H 68 4.695 4.336 0.359 1
1 304 . 18 1 1 A 26 26 ASP C C 68 176.728 177.094 -0.366 1
1 305 . 18 1 1 A 26 26 ASP CA C 68 53.907 55.893 -1.986 1
1 306 . 18 1 1 A 26 26 ASP CB C 68 41.338 39.850 1.488 1
1 307 . 18 1 1 A 26 26 ASP N N 68 120.434 124.753 -4.319 1
1 308 . 18 1 1 A 27 27 GLY H H 69 8.607 8.984 -0.377 1
1 309 . 18 1 1 A 27 27 GLY HA2 H 69 4.055 3.966 0.089 1
1 310 . 18 1 1 A 27 27 GLY HA3 H 69 3.665 3.968 -0.303 1
1 311 . 18 1 1 A 27 27 GLY C C 69 173.151 174.188 -1.037 1
1 312 . 18 1 1 A 27 27 GLY CA C 69 45.895 45.478 0.417 1
1 313 . 18 1 1 A 27 27 GLY N N 69 112.545 111.947 0.598 1
1 314 . 18 1 1 A 28 28 ALA H H 70 7.634 7.745 -0.111 1
1 315 . 18 1 1 A 28 28 ALA HA H 70 4.575 4.434 0.141 1
1 319 . 18 1 1 A 28 28 ALA C C 70 174.090 176.468 -2.378 1
1 320 . 18 1 1 A 28 28 ALA CA C 70 50.137 50.655 -0.518 1
1 321 . 18 1 1 A 28 28 ALA CB C 70 19.221 19.321 -0.100 1
1 322 . 18 1 1 A 28 28 ALA N N 70 125.545 124.937 0.608 1
1 323 . 18 1 1 A 29 29 PRO HA H 71 4.462 4.530 -0.068 1
1 330 . 18 1 1 A 29 29 PRO C C 71 176.671 176.003 0.668 1
1 331 . 18 1 1 A 29 29 PRO CA C 71 63.021 63.563 -0.542 1
1 332 . 18 1 1 A 29 29 PRO CB C 71 32.015 31.613 0.402 1
1 335 . 18 1 1 A 30 30 GLY H H 72 7.988 7.913 0.075 1
1 336 . 18 1 1 A 30 30 GLY HA2 H 72 5.001 4.017 0.984 1
1 337 . 18 1 1 A 30 30 GLY HA3 H 72 3.991 4.070 -0.079 1
1 338 . 18 1 1 A 30 30 GLY C C 72 172.906 171.257 1.649 1
1 339 . 18 1 1 A 30 30 GLY CA C 72 45.642 45.335 0.307 1
1 340 . 18 1 1 A 30 30 GLY N N 72 109.355 109.206 0.149 1
1 341 . 18 1 1 A 31 31 VAL H H 73 9.332 8.695 0.637 1
1 342 . 18 1 1 A 31 31 VAL HA H 73 5.194 4.872 0.322 1
1 350 . 18 1 1 A 31 31 VAL C C 73 171.443 173.017 -1.574 1
1 351 . 18 1 1 A 31 31 VAL CA C 73 60.233 59.931 0.302 1
1 352 . 18 1 1 A 31 31 VAL CB C 73 35.471 35.346 0.125 1
1 355 . 18 1 1 A 31 31 VAL N N 73 116.539 118.466 -1.927 1
1 356 . 18 1 1 A 32 32 ARG H H 74 8.956 9.132 -0.176 1
1 357 . 18 1 1 A 32 32 ARG HA H 74 5.999 5.669 0.330 1
1 365 . 18 1 1 A 32 32 ARG C C 74 174.581 175.165 -0.584 1
1 366 . 18 1 1 A 32 32 ARG CA C 74 54.187 54.600 -0.413 1
1 367 . 18 1 1 A 32 32 ARG CB C 74 33.463 32.517 0.946 1
1 370 . 18 1 1 A 32 32 ARG N N 74 127.557 129.801 -2.244 1
1 372 . 18 1 1 A 33 33 PHE H H 75 9.262 8.693 0.569 1
1 373 . 18 1 1 A 33 33 PHE HA H 75 5.461 5.439 0.022 1
1 381 . 18 1 1 A 33 33 PHE C C 75 171.210 172.284 -1.074 1
1 382 . 18 1 1 A 33 33 PHE CA C 75 55.947 56.204 -0.257 1
1 383 . 18 1 1 A 33 33 PHE CB C 75 41.151 41.260 -0.109 1
1 389 . 18 1 1 A 33 33 PHE N N 75 120.514 120.834 -0.320 1
1 390 . 18 1 1 A 34 34 ARG H H 76 9.921 8.891 1.030 1
1 391 . 18 1 1 A 34 34 ARG HA H 76 4.368 4.121 0.247 1
1 399 . 18 1 1 A 34 34 ARG C C 76 173.994 174.884 -0.890 1
1 400 . 18 1 1 A 34 34 ARG CA C 76 54.594 55.071 -0.477 1
1 401 . 18 1 1 A 34 34 ARG CB C 76 31.539 31.078 0.461 1
1 404 . 18 1 1 A 34 34 ARG N N 76 122.011 120.728 1.283 1
1 406 . 18 1 1 A 35 35 LEU H H 77 8.781 8.739 0.042 1
1 407 . 18 1 1 A 35 35 LEU HA H 77 4.755 4.870 -0.115 1
1 417 . 18 1 1 A 35 35 LEU C C 77 176.305 175.224 1.081 1
1 418 . 18 1 1 A 35 35 LEU CA C 77 53.188 54.395 -1.207 1
1 419 . 18 1 1 A 35 35 LEU CB C 77 44.689 42.720 1.969 1
1 423 . 18 1 1 A 35 35 LEU N N 77 127.038 128.614 -1.576 1
1 424 . 18 1 1 A 36 36 GLU H H 78 9.342 8.792 0.550 1
1 425 . 18 1 1 A 36 36 GLU HA H 78 4.531 4.452 0.079 1
1 430 . 18 1 1 A 36 36 GLU C C 78 175.380 175.759 -0.379 1
1 431 . 18 1 1 A 36 36 GLU CA C 78 54.829 56.053 -1.224 1
1 432 . 18 1 1 A 36 36 GLU CB C 78 29.842 28.782 1.060 1
1 434 . 18 1 1 A 36 36 GLU N N 78 126.891 126.733 0.158 1
1 435 . 18 1 1 A 37 37 ASP H H 79 8.418 8.368 0.050 1
1 436 . 18 1 1 A 37 37 ASP HA H 79 4.630 4.623 0.007 1
1 439 . 18 1 1 A 37 37 ASP C C 79 176.623 177.185 -0.562 1
1 440 . 18 1 1 A 37 37 ASP CA C 79 53.996 54.873 -0.877 1
1 441 . 18 1 1 A 37 37 ASP CB C 79 41.401 42.247 -0.846 1
1 442 . 18 1 1 A 37 37 ASP N N 79 125.084 126.029 -0.945 1
1 443 . 18 1 1 A 38 38 LYS H H 80 8.691 8.745 -0.054 1
1 444 . 18 1 1 A 38 38 LYS HA H 80 4.064 3.945 0.119 1
1 453 . 18 1 1 A 38 38 LYS C C 80 176.779 177.893 -1.114 1
1 454 . 18 1 1 A 38 38 LYS CA C 80 57.994 59.241 -1.247 1
1 455 . 18 1 1 A 38 38 LYS CB C 80 32.404 32.279 0.125 1
1 459 . 18 1 1 A 38 38 LYS N N 80 124.179 127.301 -3.122 1
1 460 . 18 1 1 A 39 39 ASP H H 81 8.355 8.004 0.351 1
1 461 . 18 1 1 A 39 39 ASP HA H 81 4.591 4.490 0.101 1
1 464 . 18 1 1 A 39 39 ASP C C 81 175.682 176.864 -1.182 1
1 465 . 18 1 1 A 39 39 ASP CA C 81 54.888 56.312 -1.424 1
1 466 . 18 1 1 A 39 39 ASP CB C 81 41.040 41.225 -0.185 1
1 467 . 18 1 1 A 39 39 ASP N N 81 117.392 118.559 -1.167 1
1 468 . 18 1 1 A 40 40 ASN H H 82 7.954 7.857 0.097 1
1 469 . 18 1 1 A 40 40 ASN HA H 82 4.785 4.935 -0.150 1
1 474 . 18 1 1 A 40 40 ASN C C 82 175.435 175.195 0.240 1
1 475 . 18 1 1 A 40 40 ASN CA C 82 53.032 51.824 1.208 1
1 476 . 18 1 1 A 40 40 ASN CB C 82 38.471 38.803 -0.332 1
1 478 . 18 1 1 A 40 40 ASN N N 82 117.785 116.636 1.149 1
1 480 . 18 1 1 A 41 41 THR H H 83 8.518 8.703 -0.185 1
1 481 . 18 1 1 A 41 41 THR HA H 83 4.243 4.149 0.094 1
1 486 . 18 1 1 A 41 41 THR C C 83 175.191 176.276 -1.085 1
1 487 . 18 1 1 A 41 41 THR CA C 83 63.584 64.606 -1.022 1
1 488 . 18 1 1 A 41 41 THR CB C 83 69.267 69.227 0.040 1
1 490 . 18 1 1 A 41 41 THR N N 83 114.265 120.370 -6.105 1
1 491 . 18 1 1 A 42 42 SER H H 84 8.179 7.935 0.244 1
1 492 . 18 1 1 A 42 42 SER HA H 84 4.439 4.331 0.108 1
1 495 . 18 1 1 A 42 42 SER C C 84 174.269 174.241 0.028 1
1 496 . 18 1 1 A 42 42 SER CA C 84 59.222 60.434 -1.212 1
1 497 . 18 1 1 A 42 42 SER CB C 84 63.627 62.756 0.871 1
1 498 . 18 1 1 A 42 42 SER N N 84 115.576 115.451 0.125 1
1 499 . 18 1 1 A 43 43 LYS H H 85 7.911 7.611 0.300 1
1 500 . 18 1 1 A 43 43 LYS HA H 85 4.460 4.600 -0.140 1
1 509 . 18 1 1 A 43 43 LYS C C 85 175.440 175.051 0.389 1
1 510 . 18 1 1 A 43 43 LYS CA C 85 55.961 55.005 0.956 1
1 511 . 18 1 1 A 43 43 LYS CB C 85 33.032 33.513 -0.481 1
1 515 . 18 1 1 A 43 43 LYS N N 85 123.691 119.155 4.536 1
1 516 . 18 1 1 A 44 44 THR H H 86 8.165 8.581 -0.416 1
1 517 . 18 1 1 A 44 44 THR HA H 86 4.904 4.683 0.221 1
1 522 . 18 1 1 A 44 44 THR C C 86 173.685 174.193 -0.508 1
1 523 . 18 1 1 A 44 44 THR CA C 86 60.794 60.817 -0.023 1
1 524 . 18 1 1 A 44 44 THR CB C 86 71.046 69.876 1.170 1
1 526 . 18 1 1 A 44 44 THR N N 86 117.392 116.938 0.454 1
1 527 . 18 1 1 A 45 45 VAL H H 87 8.155 8.215 -0.060 1
1 528 . 18 1 1 A 45 45 VAL HA H 87 4.402 4.387 0.015 1
1 536 . 18 1 1 A 45 45 VAL C C 87 174.343 175.347 -1.004 1
1 537 . 18 1 1 A 45 45 VAL CA C 87 60.551 60.892 -0.341 1
1 538 . 18 1 1 A 45 45 VAL CB C 87 35.225 33.203 2.022 1
1 541 . 18 1 1 A 45 45 VAL N N 87 123.105 121.699 1.406 1
1 542 . 18 1 1 A 46 46 TRP H H 88 8.574 8.945 -0.371 1
1 543 . 18 1 1 A 46 46 TRP HA H 88 4.789 5.009 -0.220 1
1 552 . 18 1 1 A 46 46 TRP C C 88 175.287 175.558 -0.271 1
1 553 . 18 1 1 A 46 46 TRP CA C 88 57.716 56.990 0.726 1
1 554 . 18 1 1 A 46 46 TRP CB C 88 30.822 28.846 1.976 1
1 560 . 18 1 1 A 46 46 TRP N N 88 126.326 128.944 -2.618 1
1 562 . 18 1 1 A 47 47 VAL H H 89 9.550 8.568 0.982 1
1 563 . 18 1 1 A 47 47 VAL HA H 89 4.884 4.463 0.421 1
1 571 . 18 1 1 A 47 47 VAL C C 89 173.675 174.469 -0.794 1
1 572 . 18 1 1 A 47 47 VAL CA C 89 60.713 62.494 -1.781 1
1 573 . 18 1 1 A 47 47 VAL CB C 89 33.847 31.281 2.566 1
1 576 . 18 1 1 A 47 47 VAL N N 89 123.380 125.474 -2.094 1
1 577 . 18 1 1 A 48 48 LEU H H 90 8.757 8.975 -0.218 1
1 578 . 18 1 1 A 48 48 LEU HA H 90 5.181 4.866 0.315 1
1 588 . 18 1 1 A 48 48 LEU C C 90 175.118 175.165 -0.047 1
1 589 . 18 1 1 A 48 48 LEU CA C 90 53.567 53.646 -0.079 1
1 590 . 18 1 1 A 48 48 LEU CB C 90 45.758 43.070 2.688 1
1 594 . 18 1 1 A 48 48 LEU N N 90 125.653 129.839 -4.186 1
1 595 . 18 1 1 A 49 49 TYR H H 91 9.355 9.136 0.219 1
1 596 . 18 1 1 A 49 49 TYR HA H 91 5.196 4.940 0.256 1
1 603 . 18 1 1 A 49 49 TYR C C 91 172.437 174.150 -1.713 1
1 604 . 18 1 1 A 49 49 TYR CA C 91 56.490 56.524 -0.034 1
1 605 . 18 1 1 A 49 49 TYR CB C 91 41.602 39.768 1.834 1
1 610 . 18 1 1 A 49 49 TYR N N 91 129.351 128.876 0.475 1
1 611 . 18 1 1 A 50 50 LYS H H 92 7.805 8.437 -0.632 1
1 612 . 18 1 1 A 50 50 LYS HA H 92 4.450 4.655 -0.205 1
1 621 . 18 1 1 A 50 50 LYS C C 92 173.949 176.054 -2.105 1
1 622 . 18 1 1 A 50 50 LYS CA C 92 55.264 55.131 0.133 1
1 623 . 18 1 1 A 50 50 LYS CB C 92 32.484 32.837 -0.353 1
1 627 . 18 1 1 A 50 50 LYS N N 92 127.571 127.077 0.494 1
1 628 . 18 1 1 A 51 51 GLY H H 93 7.147 7.979 -0.832 1
1 629 . 18 1 1 A 51 51 GLY HA2 H 93 3.810 3.882 -0.072 1
1 630 . 18 1 1 A 51 51 GLY HA3 H 93 3.609 4.043 -0.434 1
1 631 . 18 1 1 A 51 51 GLY C C 93 170.582 171.838 -1.256 1
1 632 . 18 1 1 A 51 51 GLY CA C 93 43.645 44.537 -0.892 1
1 633 . 18 1 1 A 51 51 GLY N N 93 111.723 109.769 1.954 1
1 634 . 18 1 1 A 52 52 ALA H H 94 8.185 8.227 -0.042 1
1 635 . 18 1 1 A 52 52 ALA HA H 94 4.273 4.328 -0.055 1
1 639 . 18 1 1 A 52 52 ALA C C 94 178.775 177.242 1.533 1
1 640 . 18 1 1 A 52 52 ALA CA C 94 52.381 52.230 0.151 1
1 641 . 18 1 1 A 52 52 ALA CB C 94 18.392 18.701 -0.309 1
1 642 . 18 1 1 A 52 52 ALA N N 94 119.165 123.031 -3.866 1
1 643 . 18 1 1 A 53 53 VAL H H 95 8.967 8.643 0.324 1
1 644 . 18 1 1 A 53 53 VAL HA H 95 4.200 4.567 -0.367 1
1 652 . 18 1 1 A 53 53 VAL C C 95 174.416 174.602 -0.186 1
1 653 . 18 1 1 A 53 53 VAL CA C 95 60.028 60.719 -0.691 1
1 654 . 18 1 1 A 53 53 VAL CB C 95 32.712 32.146 0.566 1
1 657 . 18 1 1 A 53 53 VAL N N 95 127.597 124.631 2.966 1
1 658 . 18 1 1 A 54 54 PRO HA H 96 4.609 4.542 0.067 1
1 665 . 18 1 1 A 54 54 PRO C C 96 177.752 177.594 0.158 1
1 666 . 18 1 1 A 54 54 PRO CA C 96 62.907 63.090 -0.183 1
1 667 . 18 1 1 A 54 54 PRO CB C 96 32.850 32.668 0.182 1
1 670 . 18 1 1 A 55 55 ASP H H 97 9.047 9.066 -0.019 1
1 671 . 18 1 1 A 55 55 ASP HA H 97 4.459 4.395 0.064 1
1 674 . 18 1 1 A 55 55 ASP C C 97 176.541 177.775 -1.234 1
1 675 . 18 1 1 A 55 55 ASP CA C 97 56.434 56.835 -0.401 1
1 676 . 18 1 1 A 55 55 ASP CB C 97 39.845 40.500 -0.655 1
1 677 . 18 1 1 A 55 55 ASP N N 97 122.223 124.605 -2.382 1
1 678 . 18 1 1 A 56 56 THR H H 98 7.196 7.629 -0.433 1
1 679 . 18 1 1 A 56 56 THR HA H 98 4.105 4.276 -0.171 1
1 684 . 18 1 1 A 56 56 THR C C 98 174.743 174.893 -0.150 1
1 685 . 18 1 1 A 56 56 THR CA C 98 60.857 63.435 -2.578 1
1 686 . 18 1 1 A 56 56 THR CB C 98 69.227 69.476 -0.249 1
1 688 . 18 1 1 A 56 56 THR N N 98 105.196 109.732 -4.536 1
1 689 . 18 1 1 A 57 57 PHE H H 99 7.766 7.518 0.248 1
1 690 . 18 1 1 A 57 57 PHE HA H 99 3.752 4.515 -0.763 1
1 698 . 18 1 1 A 57 57 PHE C C 99 172.629 174.328 -1.699 1
1 699 . 18 1 1 A 57 57 PHE CA C 99 60.570 57.011 3.559 1
1 700 . 18 1 1 A 57 57 PHE CB C 99 40.156 38.741 1.415 1
1 706 . 18 1 1 A 57 57 PHE N N 99 122.514 124.551 -2.037 1
1 707 . 18 1 1 A 58 58 LYS H H 100 6.468 7.707 -1.239 1
1 708 . 18 1 1 A 58 58 LYS HA H 100 4.409 4.741 -0.332 1
1 717 . 18 1 1 A 58 58 LYS C C 100 171.564 174.314 -2.750 1
1 718 . 18 1 1 A 58 58 LYS CA C 100 53.643 53.279 0.364 1
1 719 . 18 1 1 A 58 58 LYS CB C 100 32.382 34.456 -2.074 1
1 723 . 18 1 1 A 58 58 LYS N N 100 125.478 121.677 3.801 1
1 724 . 18 1 1 A 59 59 PRO HA H 101 3.708 4.046 -0.338 1
1 731 . 18 1 1 A 59 59 PRO C C 101 176.868 177.401 -0.533 1
1 732 . 18 1 1 A 59 59 PRO CA C 101 63.881 63.633 0.248 1
1 733 . 18 1 1 A 59 59 PRO CB C 101 31.168 31.246 -0.078 1
1 736 . 18 1 1 A 60 60 GLY H H 102 9.269 8.759 0.510 1
1 737 . 18 1 1 A 60 60 GLY HA2 H 102 4.299 3.839 0.460 1
1 738 . 18 1 1 A 60 60 GLY HA3 H 102 3.502 3.846 -0.344 1
1 739 . 18 1 1 A 60 60 GLY C C 102 174.023 174.566 -0.543 1
1 740 . 18 1 1 A 60 60 GLY CA C 102 45.005 45.124 -0.119 1
1 741 . 18 1 1 A 60 60 GLY N N 102 112.023 112.625 -0.602 1
1 742 . 18 1 1 A 61 61 VAL H H 103 7.321 7.407 -0.086 1
1 743 . 18 1 1 A 61 61 VAL HA H 103 4.279 4.216 0.063 1
1 751 . 18 1 1 A 61 61 VAL C C 103 174.073 175.314 -1.241 1
1 752 . 18 1 1 A 61 61 VAL CA C 103 61.277 61.572 -0.295 1
1 753 . 18 1 1 A 61 61 VAL CB C 103 32.882 32.611 0.271 1
1 756 . 18 1 1 A 61 61 VAL N N 103 118.571 122.116 -3.545 1
1 757 . 18 1 1 A 62 62 GLU H H 104 8.204 8.492 -0.288 1
1 758 . 18 1 1 A 62 62 GLU HA H 104 4.946 4.922 0.024 1
1 763 . 18 1 1 A 62 62 GLU C C 104 176.252 176.579 -0.327 1
1 764 . 18 1 1 A 62 62 GLU CA C 104 55.398 56.599 -1.201 1
1 765 . 18 1 1 A 62 62 GLU CB C 104 30.129 30.163 -0.034 1
1 767 . 18 1 1 A 62 62 GLU N N 104 123.214 126.594 -3.380 1
1 768 . 18 1 1 A 63 63 VAL H H 105 9.066 8.697 0.369 1
1 769 . 18 1 1 A 63 63 VAL HA H 105 5.297 5.087 0.210 1
1 777 . 18 1 1 A 63 63 VAL C C 105 173.913 174.602 -0.689 1
1 778 . 18 1 1 A 63 63 VAL CA C 105 58.284 60.297 -2.013 1
1 779 . 18 1 1 A 63 63 VAL CB C 105 36.265 33.712 2.553 1
1 782 . 18 1 1 A 63 63 VAL N N 105 115.526 119.442 -3.916 1
1 783 . 18 1 1 A 64 64 ILE H H 106 8.542 9.025 -0.483 1
1 784 . 18 1 1 A 64 64 ILE HA H 106 4.775 4.570 0.205 1
1 794 . 18 1 1 A 64 64 ILE C C 106 176.511 175.601 0.910 1
1 795 . 18 1 1 A 64 64 ILE CA C 106 60.804 60.187 0.617 1
1 796 . 18 1 1 A 64 64 ILE CB C 106 40.991 38.947 2.044 1
1 800 . 18 1 1 A 64 64 ILE N N 106 120.283 123.718 -3.435 1
1 801 . 18 1 1 A 65 65 ILE H H 107 8.944 8.463 0.481 1
1 802 . 18 1 1 A 65 65 ILE HA H 107 5.197 4.942 0.255 1
1 812 . 18 1 1 A 65 65 ILE C C 107 174.076 174.586 -0.510 1
1 813 . 18 1 1 A 65 65 ILE CA C 107 58.384 59.349 -0.965 1
1 814 . 18 1 1 A 65 65 ILE CB C 107 42.082 39.160 2.922 1
1 818 . 18 1 1 A 65 65 ILE N N 107 122.157 124.226 -2.069 1
1 819 . 18 1 1 A 66 66 GLU H H 108 7.762 8.526 -0.764 1
1 820 . 18 1 1 A 66 66 GLU HA H 108 5.801 5.449 0.352 1
1 825 . 18 1 1 A 66 66 GLU C C 108 176.789 175.404 1.385 1
1 826 . 18 1 1 A 66 66 GLU CA C 108 54.063 55.503 -1.440 1
1 827 . 18 1 1 A 66 66 GLU CB C 108 32.818 33.780 -0.962 1
1 829 . 18 1 1 A 66 66 GLU N N 108 119.473 123.624 -4.151 1
1 830 . 18 1 1 A 67 67 GLY H H 109 9.064 8.439 0.625 1
1 831 . 18 1 1 A 67 67 GLY HA2 H 109 4.773 4.214 0.559 1
1 832 . 18 1 1 A 67 67 GLY HA3 H 109 3.948 4.259 -0.311 1
1 833 . 18 1 1 A 67 67 GLY C C 109 170.431 172.286 -1.855 1
1 834 . 18 1 1 A 67 67 GLY CA C 109 46.598 45.758 0.840 1
1 835 . 18 1 1 A 67 67 GLY N N 109 112.366 112.101 0.265 1
1 836 . 18 1 1 A 68 68 GLY H H 110 7.116 7.765 -0.649 1
1 837 . 18 1 1 A 68 68 GLY HA2 H 110 3.949 3.915 0.034 1
1 838 . 18 1 1 A 68 68 GLY HA3 H 110 3.732 3.991 -0.259 1
1 839 . 18 1 1 A 68 68 GLY C C 110 170.827 171.342 -0.515 1
1 840 . 18 1 1 A 68 68 GLY CA C 110 45.228 45.316 -0.088 1
1 841 . 18 1 1 A 68 68 GLY N N 110 109.402 109.629 -0.227 1
1 842 . 18 1 1 A 69 69 LEU H H 111 8.542 8.308 0.234 1
1 843 . 18 1 1 A 69 69 LEU HA H 111 4.546 4.614 -0.068 1
1 853 . 18 1 1 A 69 69 LEU C C 111 175.890 176.291 -0.401 1
1 854 . 18 1 1 A 69 69 LEU CA C 111 54.400 53.975 0.425 1
1 855 . 18 1 1 A 69 69 LEU CB C 111 43.814 43.962 -0.148 1
1 859 . 18 1 1 A 69 69 LEU N N 111 122.808 123.710 -0.902 1
1 860 . 18 1 1 A 70 70 ALA H H 112 8.889 8.623 0.266 1
1 861 . 18 1 1 A 70 70 ALA HA H 112 4.639 4.462 0.177 1
1 865 . 18 1 1 A 70 70 ALA C C 112 174.900 177.294 -2.394 1
1 866 . 18 1 1 A 70 70 ALA CA C 112 49.951 50.483 -0.532 1
1 867 . 18 1 1 A 70 70 ALA CB C 112 18.111 18.811 -0.700 1
1 868 . 18 1 1 A 70 70 ALA N N 112 130.675 129.366 1.309 1
1 869 . 18 1 1 A 71 71 PRO HA H 113 4.338 4.384 -0.046 1
1 876 . 18 1 1 A 71 71 PRO C C 113 178.206 177.641 0.565 1
1 877 . 18 1 1 A 71 71 PRO CA C 113 64.055 64.069 -0.014 1
1 878 . 18 1 1 A 71 71 PRO CB C 113 31.754 31.887 -0.133 1
1 881 . 18 1 1 A 72 72 GLY H H 114 8.748 8.511 0.237 1
1 882 . 18 1 1 A 72 72 GLY HA2 H 114 4.165 3.964 0.201 1
1 883 . 18 1 1 A 72 72 GLY HA3 H 114 3.775 3.969 -0.194 1
1 884 . 18 1 1 A 72 72 GLY C C 114 174.200 174.206 -0.006 1
1 885 . 18 1 1 A 72 72 GLY CA C 114 45.602 46.148 -0.546 1
1 886 . 18 1 1 A 72 72 GLY N N 114 111.945 106.396 5.549 1
1 887 . 18 1 1 A 73 73 GLU H H 115 7.931 7.603 0.328 1
1 888 . 18 1 1 A 73 73 GLU HA H 115 4.581 4.528 0.053 1
1 893 . 18 1 1 A 73 73 GLU C C 115 175.843 176.770 -0.927 1
1 894 . 18 1 1 A 73 73 GLU CA C 115 55.732 55.464 0.268 1
1 895 . 18 1 1 A 73 73 GLU CB C 115 31.128 30.844 0.284 1
1 897 . 18 1 1 A 73 73 GLU N N 115 118.591 120.308 -1.717 1
1 898 . 18 1 1 A 74 74 ASP H H 116 8.467 8.629 -0.162 1
1 899 . 18 1 1 A 74 74 ASP HA H 116 4.823 4.613 0.210 1
1 902 . 18 1 1 A 74 74 ASP C C 116 175.848 176.888 -1.040 1
1 903 . 18 1 1 A 74 74 ASP CA C 116 53.831 56.877 -3.046 1
1 904 . 18 1 1 A 74 74 ASP CB C 116 41.052 41.227 -0.175 1
1 905 . 18 1 1 A 74 74 ASP N N 116 118.021 122.545 -4.524 1
1 906 . 18 1 1 A 75 75 THR H H 117 7.301 7.583 -0.282 1
1 907 . 18 1 1 A 75 75 THR HA H 117 4.620 5.132 -0.512 1
1 912 . 18 1 1 A 75 75 THR C C 117 172.120 174.029 -1.909 1
1 913 . 18 1 1 A 75 75 THR CA C 117 61.907 61.551 0.356 1
1 914 . 18 1 1 A 75 75 THR CB C 117 71.398 69.871 1.527 1
1 916 . 18 1 1 A 75 75 THR N N 117 114.820 111.583 3.237 1
1 917 . 18 1 1 A 76 76 PHE H H 118 9.657 9.099 0.558 1
1 918 . 18 1 1 A 76 76 PHE HA H 118 4.290 4.641 -0.351 1
1 926 . 18 1 1 A 76 76 PHE C C 118 174.118 174.335 -0.217 1
1 927 . 18 1 1 A 76 76 PHE CA C 118 58.185 57.237 0.948 1
1 928 . 18 1 1 A 76 76 PHE CB C 118 40.718 39.637 1.081 1
1 934 . 18 1 1 A 76 76 PHE N N 118 130.378 126.416 3.962 1
1 935 . 18 1 1 A 77 77 LYS H H 119 8.364 8.327 0.037 1
1 936 . 18 1 1 A 77 77 LYS HA H 119 4.853 4.359 0.494 1
1 945 . 18 1 1 A 77 77 LYS C C 119 175.278 174.556 0.722 1
1 946 . 18 1 1 A 77 77 LYS CA C 119 55.282 56.164 -0.882 1
1 947 . 18 1 1 A 77 77 LYS CB C 119 31.319 32.309 -0.990 1
1 951 . 18 1 1 A 77 77 LYS N N 119 129.777 128.977 0.800 1
1 952 . 18 1 1 A 78 78 ALA H H 120 8.837 8.736 0.101 1
1 953 . 18 1 1 A 78 78 ALA HA H 120 4.828 4.825 0.003 1
1 957 . 18 1 1 A 78 78 ALA C C 120 176.015 177.662 -1.647 1
1 958 . 18 1 1 A 78 78 ALA CA C 120 51.435 52.293 -0.858 1
1 959 . 18 1 1 A 78 78 ALA CB C 120 20.006 19.420 0.586 1
1 960 . 18 1 1 A 78 78 ALA N N 120 129.771 129.552 0.219 1
1 961 . 18 1 1 A 79 79 ARG H H 121 9.846 8.779 1.067 1
1 962 . 18 1 1 A 79 79 ARG HA H 121 4.582 4.167 0.415 1
1 970 . 18 1 1 A 79 79 ARG C C 121 176.651 176.164 0.487 1
1 971 . 18 1 1 A 79 79 ARG CA C 121 57.420 58.391 -0.971 1
1 972 . 18 1 1 A 79 79 ARG CB C 121 31.773 30.993 0.780 1
1 975 . 18 1 1 A 79 79 ARG N N 121 125.113 125.410 -0.297 1
1 977 . 18 1 1 A 80 80 THR H H 122 7.938 8.105 -0.167 1
1 978 . 18 1 1 A 80 80 THR HA H 122 4.921 5.231 -0.310 1
1 983 . 18 1 1 A 80 80 THR C C 122 172.002 172.781 -0.779 1
1 984 . 18 1 1 A 80 80 THR CA C 122 60.475 60.281 0.194 1
1 985 . 18 1 1 A 80 80 THR CB C 122 72.093 72.482 -0.389 1
1 987 . 18 1 1 A 80 80 THR N N 122 109.595 108.715 0.880 1
1 988 . 18 1 1 A 81 81 LEU H H 123 8.196 8.429 -0.233 1
1 989 . 18 1 1 A 81 81 LEU HA H 123 4.701 4.612 0.089 1
1 999 . 18 1 1 A 81 81 LEU C C 123 173.804 173.795 0.009 1
1 1000 . 18 1 1 A 81 81 LEU CA C 123 55.357 54.126 1.231 1
1 1001 . 18 1 1 A 81 81 LEU CB C 123 44.009 44.821 -0.812 1
1 1005 . 18 1 1 A 81 81 LEU N N 123 123.214 122.758 0.456 1
1 1006 . 18 1 1 A 82 82 MET H H 124 8.700 8.704 -0.004 1
1 1007 . 18 1 1 A 82 82 MET HA H 124 4.841 4.964 -0.123 1
1 1015 . 18 1 1 A 82 82 MET C C 124 175.097 175.805 -0.708 1
1 1016 . 18 1 1 A 82 82 MET CA C 124 54.190 53.915 0.275 1
1 1017 . 18 1 1 A 82 82 MET CB C 124 36.191 35.179 1.012 1
1 1020 . 18 1 1 A 82 82 MET N N 124 124.452 126.792 -2.340 1
1 1021 . 18 1 1 A 83 83 THR H H 125 8.671 8.817 -0.146 1
1 1022 . 18 1 1 A 83 83 THR HA H 125 4.934 4.613 0.321 1
1 1027 . 18 1 1 A 83 83 THR C C 125 174.094 175.350 -1.256 1
1 1028 . 18 1 1 A 83 83 THR CA C 125 60.253 61.309 -1.056 1
1 1029 . 18 1 1 A 83 83 THR CB C 125 69.831 70.174 -0.343 1
1 1031 . 18 1 1 A 83 83 THR N N 125 113.070 117.134 -4.064 1
1 1032 . 18 1 1 A 84 84 LYS H H 126 8.419 8.655 -0.236 1
1 1033 . 18 1 1 A 84 84 LYS HA H 126 4.446 4.325 0.121 1
1 1042 . 18 1 1 A 84 84 LYS C C 126 175.461 176.722 -1.261 1
1 1043 . 18 1 1 A 84 84 LYS CA C 126 55.500 58.200 -2.700 1
1 1044 . 18 1 1 A 84 84 LYS CB C 126 33.736 33.435 0.301 1
1 1048 . 18 1 1 A 84 84 LYS N N 126 123.139 123.685 -0.546 1
1 1049 . 18 1 1 A 85 85 CYS H H 127 8.543 7.784 0.759 1
1 1050 . 18 1 1 A 85 85 CYS HA H 127 4.795 4.552 0.243 1
1 1053 . 18 1 1 A 85 85 CYS C C 127 172.809 173.572 -0.763 1
1 1054 . 18 1 1 A 85 85 CYS CA C 127 56.423 57.411 -0.988 1
1 1055 . 18 1 1 A 85 85 CYS CB C 127 27.739 28.253 -0.514 1
1 1056 . 18 1 1 A 85 85 CYS N N 127 123.709 118.729 4.980 1
1 1057 . 18 1 1 A 86 86 PRO HA H 128 4.439 4.606 -0.167 1
1 1064 . 18 1 1 A 86 86 PRO C C 128 176.560 175.693 0.867 1
1 1065 . 18 1 1 A 86 86 PRO CA C 128 63.292 62.880 0.412 1
1 1066 . 18 1 1 A 86 86 PRO CB C 128 32.165 32.397 -0.232 1
1 1069 . 18 1 1 A 87 87 LEU H H 129 8.274 8.410 -0.136 1
1 1070 . 18 1 1 A 87 87 LEU HA H 129 4.256 4.934 -0.678 1
1 1080 . 18 1 1 A 87 87 LEU C C 129 177.141 175.374 1.767 1
1 1081 . 18 1 1 A 87 87 LEU CA C 129 55.281 53.706 1.575 1
1 1082 . 18 1 1 A 87 87 LEU CB C 129 42.299 44.632 -2.333 1
1 1086 . 18 1 1 A 87 87 LEU N N 129 122.188 123.001 -0.813 1
1 1 . 19 1 1 A 2 2 ALA HA H 44 4.214 4.551 -0.337 1
1 5 . 19 1 1 A 2 2 ALA C C 44 173.758 177.731 -3.973 1
1 6 . 19 1 1 A 2 2 ALA CA C 44 51.848 51.218 0.630 1
1 7 . 19 1 1 A 2 2 ALA CB C 44 19.505 19.673 -0.168 1
1 8 . 19 1 1 A 3 3 THR H H 45 8.709 7.353 1.356 1
1 9 . 19 1 1 A 3 3 THR HA H 45 4.694 4.326 0.368 1
1 14 . 19 1 1 A 3 3 THR CA C 45 60.191 60.147 0.044 1
1 15 . 19 1 1 A 3 3 THR CB C 45 69.815 68.845 0.970 1
1 17 . 19 1 1 A 3 3 THR N N 45 116.649 110.619 6.030 1
1 18 . 19 1 1 A 4 4 PRO HA H 46 4.412 4.555 -0.143 1
1 25 . 19 1 1 A 4 4 PRO C C 46 177.212 176.178 1.034 1
1 26 . 19 1 1 A 4 4 PRO CA C 46 63.698 63.771 -0.073 1
1 27 . 19 1 1 A 4 4 PRO CB C 46 32.117 32.823 -0.706 1
1 30 . 19 1 1 A 5 5 GLN H H 47 8.463 7.977 0.486 1
1 31 . 19 1 1 A 5 5 GLN HA H 47 4.260 4.062 0.198 1
1 38 . 19 1 1 A 5 5 GLN C C 47 176.073 175.807 0.266 1
1 39 . 19 1 1 A 5 5 GLN CA C 47 56.328 57.086 -0.758 1
1 40 . 19 1 1 A 5 5 GLN CB C 47 29.286 26.301 2.985 1
1 43 . 19 1 1 A 5 5 GLN N N 47 119.945 114.128 5.817 1
1 45 . 19 1 1 A 6 6 ASP H H 48 8.276 8.237 0.039 1
1 46 . 19 1 1 A 6 6 ASP HA H 48 4.558 4.488 0.070 1
1 49 . 19 1 1 A 6 6 ASP C C 48 176.454 176.795 -0.341 1
1 50 . 19 1 1 A 6 6 ASP CA C 48 54.538 55.344 -0.806 1
1 51 . 19 1 1 A 6 6 ASP CB C 48 40.873 41.465 -0.592 1
1 52 . 19 1 1 A 6 6 ASP N N 48 120.974 118.153 2.821 1
1 53 . 19 1 1 A 7 7 LYS H H 49 8.218 7.858 0.360 1
1 54 . 19 1 1 A 7 7 LYS HA H 49 4.264 4.094 0.170 1
1 63 . 19 1 1 A 7 7 LYS C C 49 176.665 176.428 0.237 1
1 64 . 19 1 1 A 7 7 LYS CA C 49 56.655 57.467 -0.812 1
1 65 . 19 1 1 A 7 7 LYS CB C 49 32.837 29.350 3.487 1
1 69 . 19 1 1 A 7 7 LYS N N 49 120.950 115.076 5.874 1
1 70 . 19 1 1 A 8 8 LEU H H 50 8.010 8.263 -0.253 1
1 71 . 19 1 1 A 8 8 LEU HA H 50 4.279 4.612 -0.333 1
1 81 . 19 1 1 A 8 8 LEU C C 50 177.110 177.285 -0.175 1
1 82 . 19 1 1 A 8 8 LEU CA C 50 55.353 54.386 0.967 1
1 83 . 19 1 1 A 8 8 LEU CB C 50 42.302 43.022 -0.720 1
1 87 . 19 1 1 A 8 8 LEU N N 50 121.105 117.944 3.161 1
1 88 . 19 1 1 A 9 9 HIS H H 51 8.411 7.892 0.519 1
1 89 . 19 1 1 A 9 9 HIS HA H 51 4.780 4.332 0.448 1
1 92 . 19 1 1 A 9 9 HIS C C 51 174.285 174.777 -0.492 1
1 93 . 19 1 1 A 9 9 HIS CA C 51 55.320 59.289 -3.969 1
1 94 . 19 1 1 A 9 9 HIS CB C 51 28.827 30.598 -1.771 1
1 95 . 19 1 1 A 9 9 HIS N N 51 119.035 119.650 -0.615 1
1 96 . 19 1 1 A 10 10 THR H H 52 8.178 8.145 0.033 1
1 97 . 19 1 1 A 10 10 THR HA H 52 4.488 4.702 -0.214 1
1 102 . 19 1 1 A 10 10 THR C C 52 173.766 173.415 0.351 1
1 103 . 19 1 1 A 10 10 THR CA C 52 62.392 62.287 0.105 1
1 104 . 19 1 1 A 10 10 THR CB C 52 70.104 69.499 0.605 1
1 106 . 19 1 1 A 10 10 THR N N 52 117.285 112.163 5.122 1
1 107 . 19 1 1 A 11 11 VAL H H 53 9.088 9.212 -0.124 1
1 108 . 19 1 1 A 11 11 VAL HA H 53 4.464 4.674 -0.210 1
1 116 . 19 1 1 A 11 11 VAL C C 53 174.048 174.432 -0.384 1
1 117 . 19 1 1 A 11 11 VAL CA C 53 61.359 61.296 0.063 1
1 118 . 19 1 1 A 11 11 VAL CB C 53 34.602 33.813 0.789 1
1 121 . 19 1 1 A 11 11 VAL N N 53 123.969 128.838 -4.869 1
1 122 . 19 1 1 A 12 12 ARG H H 54 8.386 8.838 -0.452 1
1 123 . 19 1 1 A 12 12 ARG HA H 54 5.495 5.335 0.160 1
1 131 . 19 1 1 A 12 12 ARG C C 54 175.364 174.438 0.926 1
1 132 . 19 1 1 A 12 12 ARG CA C 54 54.401 54.479 -0.078 1
1 133 . 19 1 1 A 12 12 ARG CB C 54 32.753 33.322 -0.569 1
1 136 . 19 1 1 A 12 12 ARG N N 54 125.294 127.670 -2.376 1
1 138 . 19 1 1 A 13 13 LEU H H 55 8.828 8.824 0.004 1
1 139 . 19 1 1 A 13 13 LEU HA H 55 4.726 5.123 -0.397 1
1 149 . 19 1 1 A 13 13 LEU C C 55 174.223 175.642 -1.419 1
1 150 . 19 1 1 A 13 13 LEU CA C 55 53.309 53.473 -0.164 1
1 151 . 19 1 1 A 13 13 LEU CB C 55 45.884 44.637 1.247 1
1 155 . 19 1 1 A 13 13 LEU N N 55 124.874 127.759 -2.885 1
1 156 . 19 1 1 A 14 14 PHE H H 56 8.195 8.994 -0.799 1
1 157 . 19 1 1 A 14 14 PHE HA H 56 5.576 5.224 0.352 1
1 165 . 19 1 1 A 14 14 PHE C C 56 175.266 175.622 -0.356 1
1 166 . 19 1 1 A 14 14 PHE CA C 56 55.009 55.574 -0.565 1
1 167 . 19 1 1 A 14 14 PHE CB C 56 42.340 40.778 1.562 1
1 173 . 19 1 1 A 14 14 PHE N N 56 118.334 120.997 -2.663 1
1 174 . 19 1 1 A 15 15 GLY H H 57 8.134 8.251 -0.117 1
1 175 . 19 1 1 A 15 15 GLY HA2 H 57 4.229 4.338 -0.109 1
1 176 . 19 1 1 A 15 15 GLY HA3 H 57 4.004 4.353 -0.349 1
1 177 . 19 1 1 A 15 15 GLY C C 57 171.108 171.727 -0.619 1
1 178 . 19 1 1 A 15 15 GLY CA C 57 45.857 45.729 0.128 1
1 179 . 19 1 1 A 15 15 GLY N N 57 109.159 109.926 -0.767 1
1 180 . 19 1 1 A 16 16 THR H H 58 8.595 8.514 0.081 1
1 181 . 19 1 1 A 16 16 THR HA H 58 5.114 5.143 -0.029 1
1 186 . 19 1 1 A 16 16 THR C C 58 174.484 173.773 0.711 1
1 187 . 19 1 1 A 16 16 THR CA C 58 60.591 61.269 -0.678 1
1 188 . 19 1 1 A 16 16 THR CB C 58 71.164 71.839 -0.675 1
1 190 . 19 1 1 A 16 16 THR N N 58 113.580 115.559 -1.979 1
1 191 . 19 1 1 A 17 17 VAL H H 59 8.053 8.578 -0.525 1
1 192 . 19 1 1 A 17 17 VAL HA H 59 3.876 4.195 -0.319 1
1 200 . 19 1 1 A 17 17 VAL C C 59 176.315 175.977 0.338 1
1 201 . 19 1 1 A 17 17 VAL CA C 59 63.549 62.551 0.998 1
1 202 . 19 1 1 A 17 17 VAL CB C 59 32.779 31.748 1.031 1
1 205 . 19 1 1 A 17 17 VAL N N 59 124.410 126.721 -2.311 1
1 206 . 19 1 1 A 18 18 ALA H H 60 8.931 8.215 0.716 1
1 207 . 19 1 1 A 18 18 ALA HA H 60 4.354 4.354 0.000 1
1 211 . 19 1 1 A 18 18 ALA C C 60 177.293 178.353 -1.060 1
1 212 . 19 1 1 A 18 18 ALA CA C 60 52.138 52.792 -0.654 1
1 213 . 19 1 1 A 18 18 ALA CB C 60 19.782 19.215 0.567 1
1 214 . 19 1 1 A 18 18 ALA N N 60 133.912 130.442 3.470 1
1 215 . 19 1 1 A 19 19 ALA H H 61 8.548 8.836 -0.288 1
1 216 . 19 1 1 A 19 19 ALA HA H 61 4.105 3.966 0.139 1
1 220 . 19 1 1 A 19 19 ALA C C 61 178.793 177.264 1.529 1
1 221 . 19 1 1 A 19 19 ALA CA C 61 54.218 54.489 -0.271 1
1 222 . 19 1 1 A 19 19 ALA CB C 61 18.969 18.607 0.362 1
1 223 . 19 1 1 A 19 19 ALA N N 61 121.667 126.538 -4.871 1
1 224 . 19 1 1 A 20 20 ASP H H 62 8.117 7.913 0.204 1
1 225 . 19 1 1 A 20 20 ASP HA H 62 4.602 4.865 -0.263 1
1 228 . 19 1 1 A 20 20 ASP C C 62 177.210 175.855 1.355 1
1 229 . 19 1 1 A 20 20 ASP CA C 62 54.575 53.913 0.662 1
1 230 . 19 1 1 A 20 20 ASP CB C 62 41.188 41.505 -0.317 1
1 231 . 19 1 1 A 20 20 ASP N N 62 115.534 115.197 0.337 1
1 232 . 19 1 1 A 21 21 GLY H H 63 8.996 7.105 1.891 1
1 233 . 19 1 1 A 21 21 GLY HA2 H 63 4.311 4.028 0.283 1
1 234 . 19 1 1 A 21 21 GLY HA3 H 63 3.888 4.193 -0.305 1
1 235 . 19 1 1 A 21 21 GLY C C 63 173.384 172.887 0.497 1
1 236 . 19 1 1 A 21 21 GLY CA C 63 46.124 45.748 0.376 1
1 237 . 19 1 1 A 21 21 GLY N N 63 112.754 107.511 5.243 1
1 238 . 19 1 1 A 22 22 LEU H H 64 7.380 8.274 -0.894 1
1 239 . 19 1 1 A 22 22 LEU HA H 64 4.964 5.306 -0.342 1
1 249 . 19 1 1 A 22 22 LEU C C 64 178.011 174.670 3.341 1
1 250 . 19 1 1 A 22 22 LEU CA C 64 57.159 54.162 2.997 1
1 251 . 19 1 1 A 22 22 LEU CB C 64 42.160 44.755 -2.595 1
1 255 . 19 1 1 A 22 22 LEU N N 64 123.991 122.397 1.594 1
1 256 . 19 1 1 A 23 23 THR H H 65 9.752 9.370 0.382 1
1 257 . 19 1 1 A 23 23 THR HA H 65 4.755 4.984 -0.229 1
1 262 . 19 1 1 A 23 23 THR C C 65 173.249 173.946 -0.697 1
1 263 . 19 1 1 A 23 23 THR CA C 65 61.231 61.829 -0.598 1
1 264 . 19 1 1 A 23 23 THR CB C 65 71.995 70.097 1.898 1
1 266 . 19 1 1 A 23 23 THR N N 65 124.024 123.636 0.388 1
1 267 . 19 1 1 A 24 24 MET H H 66 8.881 8.451 0.430 1
1 268 . 19 1 1 A 24 24 MET HA H 66 5.019 4.813 0.206 1
1 276 . 19 1 1 A 24 24 MET C C 66 176.750 176.248 0.502 1
1 277 . 19 1 1 A 24 24 MET CA C 66 54.452 54.687 -0.235 1
1 278 . 19 1 1 A 24 24 MET CB C 66 31.809 33.172 -1.363 1
1 281 . 19 1 1 A 24 24 MET N N 66 125.215 126.498 -1.283 1
1 282 . 19 1 1 A 25 25 LEU H H 67 8.037 8.193 -0.156 1
1 283 . 19 1 1 A 25 25 LEU HA H 67 4.253 4.395 -0.142 1
1 293 . 19 1 1 A 25 25 LEU C C 67 176.617 176.327 0.290 1
1 294 . 19 1 1 A 25 25 LEU CA C 67 55.259 54.641 0.618 1
1 295 . 19 1 1 A 25 25 LEU CB C 67 41.019 42.321 -1.302 1
1 299 . 19 1 1 A 25 25 LEU N N 67 123.282 123.038 0.244 1
1 300 . 19 1 1 A 26 26 ASP H H 68 8.419 8.760 -0.341 1
1 301 . 19 1 1 A 26 26 ASP HA H 68 4.695 4.870 -0.175 1
1 304 . 19 1 1 A 26 26 ASP C C 68 176.728 176.879 -0.151 1
1 305 . 19 1 1 A 26 26 ASP CA C 68 53.907 53.932 -0.025 1
1 306 . 19 1 1 A 26 26 ASP CB C 68 41.338 42.192 -0.854 1
1 307 . 19 1 1 A 26 26 ASP N N 68 120.434 122.914 -2.480 1
1 308 . 19 1 1 A 27 27 GLY H H 69 8.607 8.931 -0.324 1
1 309 . 19 1 1 A 27 27 GLY HA2 H 69 4.055 3.869 0.186 1
1 310 . 19 1 1 A 27 27 GLY HA3 H 69 3.665 3.871 -0.206 1
1 311 . 19 1 1 A 27 27 GLY C C 69 173.151 173.290 -0.139 1
1 312 . 19 1 1 A 27 27 GLY CA C 69 45.895 45.972 -0.077 1
1 313 . 19 1 1 A 27 27 GLY N N 69 112.545 111.733 0.812 1
1 314 . 19 1 1 A 28 28 ALA H H 70 7.634 7.558 0.076 1
1 315 . 19 1 1 A 28 28 ALA HA H 70 4.575 4.646 -0.071 1
1 319 . 19 1 1 A 28 28 ALA C C 70 174.090 174.413 -0.323 1
1 320 . 19 1 1 A 28 28 ALA CA C 70 50.137 50.078 0.059 1
1 321 . 19 1 1 A 28 28 ALA CB C 70 19.221 22.327 -3.106 1
1 322 . 19 1 1 A 28 28 ALA N N 70 125.545 120.020 5.525 1
1 323 . 19 1 1 A 29 29 PRO HA H 71 4.462 4.693 -0.231 1
1 330 . 19 1 1 A 29 29 PRO C C 71 176.671 176.071 0.600 1
1 331 . 19 1 1 A 29 29 PRO CA C 71 63.021 63.527 -0.506 1
1 332 . 19 1 1 A 29 29 PRO CB C 71 32.015 31.518 0.497 1
1 335 . 19 1 1 A 30 30 GLY H H 72 7.988 8.134 -0.146 1
1 336 . 19 1 1 A 30 30 GLY HA2 H 72 5.001 4.116 0.885 1
1 337 . 19 1 1 A 30 30 GLY HA3 H 72 3.991 4.170 -0.179 1
1 338 . 19 1 1 A 30 30 GLY C C 72 172.906 171.232 1.674 1
1 339 . 19 1 1 A 30 30 GLY CA C 72 45.642 44.931 0.711 1
1 340 . 19 1 1 A 30 30 GLY N N 72 109.355 109.390 -0.035 1
1 341 . 19 1 1 A 31 31 VAL H H 73 9.332 8.546 0.786 1
1 342 . 19 1 1 A 31 31 VAL HA H 73 5.194 4.821 0.373 1
1 350 . 19 1 1 A 31 31 VAL C C 73 171.443 173.142 -1.699 1
1 351 . 19 1 1 A 31 31 VAL CA C 73 60.233 60.197 0.036 1
1 352 . 19 1 1 A 31 31 VAL CB C 73 35.471 34.952 0.519 1
1 355 . 19 1 1 A 31 31 VAL N N 73 116.539 118.775 -2.236 1
1 356 . 19 1 1 A 32 32 ARG H H 74 8.956 9.173 -0.217 1
1 357 . 19 1 1 A 32 32 ARG HA H 74 5.999 5.935 0.064 1
1 365 . 19 1 1 A 32 32 ARG C C 74 174.581 175.032 -0.451 1
1 366 . 19 1 1 A 32 32 ARG CA C 74 54.187 54.445 -0.258 1
1 367 . 19 1 1 A 32 32 ARG CB C 74 33.463 33.227 0.236 1
1 370 . 19 1 1 A 32 32 ARG N N 74 127.557 128.723 -1.166 1
1 372 . 19 1 1 A 33 33 PHE H H 75 9.262 8.732 0.530 1
1 373 . 19 1 1 A 33 33 PHE HA H 75 5.461 5.238 0.223 1
1 381 . 19 1 1 A 33 33 PHE C C 75 171.210 172.866 -1.656 1
1 382 . 19 1 1 A 33 33 PHE CA C 75 55.947 56.258 -0.311 1
1 383 . 19 1 1 A 33 33 PHE CB C 75 41.151 41.666 -0.515 1
1 389 . 19 1 1 A 33 33 PHE N N 75 120.514 120.806 -0.292 1
1 390 . 19 1 1 A 34 34 ARG H H 76 9.921 8.314 1.607 1
1 391 . 19 1 1 A 34 34 ARG HA H 76 4.368 4.176 0.192 1
1 399 . 19 1 1 A 34 34 ARG C C 76 173.994 174.731 -0.737 1
1 400 . 19 1 1 A 34 34 ARG CA C 76 54.594 54.822 -0.228 1
1 401 . 19 1 1 A 34 34 ARG CB C 76 31.539 29.862 1.677 1
1 404 . 19 1 1 A 34 34 ARG N N 76 122.011 118.716 3.295 1
1 406 . 19 1 1 A 35 35 LEU H H 77 8.781 8.604 0.177 1
1 407 . 19 1 1 A 35 35 LEU HA H 77 4.755 4.694 0.061 1
1 417 . 19 1 1 A 35 35 LEU C C 77 176.305 175.030 1.275 1
1 418 . 19 1 1 A 35 35 LEU CA C 77 53.188 55.014 -1.826 1
1 419 . 19 1 1 A 35 35 LEU CB C 77 44.689 42.451 2.238 1
1 423 . 19 1 1 A 35 35 LEU N N 77 127.038 126.652 0.386 1
1 424 . 19 1 1 A 36 36 GLU H H 78 9.342 8.867 0.475 1
1 425 . 19 1 1 A 36 36 GLU HA H 78 4.531 4.819 -0.288 1
1 430 . 19 1 1 A 36 36 GLU C C 78 175.380 175.060 0.320 1
1 431 . 19 1 1 A 36 36 GLU CA C 78 54.829 55.528 -0.699 1
1 432 . 19 1 1 A 36 36 GLU CB C 78 29.842 28.793 1.049 1
1 434 . 19 1 1 A 36 36 GLU N N 78 126.891 126.672 0.219 1
1 435 . 19 1 1 A 37 37 ASP H H 79 8.418 8.635 -0.217 1
1 436 . 19 1 1 A 37 37 ASP HA H 79 4.630 4.486 0.144 1
1 439 . 19 1 1 A 37 37 ASP C C 79 176.623 176.967 -0.344 1
1 440 . 19 1 1 A 37 37 ASP CA C 79 53.996 54.284 -0.288 1
1 441 . 19 1 1 A 37 37 ASP CB C 79 41.401 39.984 1.417 1
1 442 . 19 1 1 A 37 37 ASP N N 79 125.084 124.609 0.475 1
1 443 . 19 1 1 A 38 38 LYS H H 80 8.691 8.665 0.026 1
1 444 . 19 1 1 A 38 38 LYS HA H 80 4.064 3.908 0.156 1
1 453 . 19 1 1 A 38 38 LYS C C 80 176.779 175.070 1.709 1
1 454 . 19 1 1 A 38 38 LYS CA C 80 57.994 57.357 0.637 1
1 455 . 19 1 1 A 38 38 LYS CB C 80 32.404 31.338 1.066 1
1 459 . 19 1 1 A 38 38 LYS N N 80 124.179 123.526 0.653 1
1 460 . 19 1 1 A 39 39 ASP H H 81 8.355 8.518 -0.163 1
1 461 . 19 1 1 A 39 39 ASP HA H 81 4.591 4.253 0.338 1
1 464 . 19 1 1 A 39 39 ASP C C 81 175.682 176.298 -0.616 1
1 465 . 19 1 1 A 39 39 ASP CA C 81 54.888 55.539 -0.651 1
1 466 . 19 1 1 A 39 39 ASP CB C 81 41.040 39.001 2.039 1
1 467 . 19 1 1 A 39 39 ASP N N 81 117.392 111.682 5.710 1
1 468 . 19 1 1 A 40 40 ASN H H 82 7.954 8.161 -0.207 1
1 469 . 19 1 1 A 40 40 ASN HA H 82 4.785 4.668 0.117 1
1 474 . 19 1 1 A 40 40 ASN C C 82 175.435 175.856 -0.421 1
1 475 . 19 1 1 A 40 40 ASN CA C 82 53.032 52.660 0.372 1
1 476 . 19 1 1 A 40 40 ASN CB C 82 38.471 37.599 0.872 1
1 478 . 19 1 1 A 40 40 ASN N N 82 117.785 114.694 3.091 1
1 480 . 19 1 1 A 41 41 THR H H 83 8.518 7.491 1.027 1
1 481 . 19 1 1 A 41 41 THR HA H 83 4.243 4.004 0.239 1
1 486 . 19 1 1 A 41 41 THR C C 83 175.191 176.129 -0.938 1
1 487 . 19 1 1 A 41 41 THR CA C 83 63.584 64.630 -1.046 1
1 488 . 19 1 1 A 41 41 THR CB C 83 69.267 68.805 0.462 1
1 490 . 19 1 1 A 41 41 THR N N 83 114.265 115.059 -0.794 1
1 491 . 19 1 1 A 42 42 SER H H 84 8.179 8.131 0.048 1
1 492 . 19 1 1 A 42 42 SER HA H 84 4.439 4.516 -0.077 1
1 495 . 19 1 1 A 42 42 SER C C 84 174.269 174.997 -0.728 1
1 496 . 19 1 1 A 42 42 SER CA C 84 59.222 59.530 -0.308 1
1 497 . 19 1 1 A 42 42 SER CB C 84 63.627 63.612 0.015 1
1 498 . 19 1 1 A 42 42 SER N N 84 115.576 114.363 1.213 1
1 499 . 19 1 1 A 43 43 LYS H H 85 7.911 7.917 -0.006 1
1 500 . 19 1 1 A 43 43 LYS HA H 85 4.460 4.556 -0.096 1
1 509 . 19 1 1 A 43 43 LYS C C 85 175.440 176.283 -0.843 1
1 510 . 19 1 1 A 43 43 LYS CA C 85 55.961 55.514 0.447 1
1 511 . 19 1 1 A 43 43 LYS CB C 85 33.032 32.716 0.316 1
1 515 . 19 1 1 A 43 43 LYS N N 85 123.691 115.591 8.100 1
1 516 . 19 1 1 A 44 44 THR H H 86 8.165 7.718 0.447 1
1 517 . 19 1 1 A 44 44 THR HA H 86 4.904 4.348 0.556 1
1 522 . 19 1 1 A 44 44 THR C C 86 173.685 174.272 -0.587 1
1 523 . 19 1 1 A 44 44 THR CA C 86 60.794 61.588 -0.794 1
1 524 . 19 1 1 A 44 44 THR CB C 86 71.046 69.843 1.203 1
1 526 . 19 1 1 A 44 44 THR N N 86 117.392 112.591 4.801 1
1 527 . 19 1 1 A 45 45 VAL H H 87 8.155 8.588 -0.433 1
1 528 . 19 1 1 A 45 45 VAL HA H 87 4.402 4.445 -0.043 1
1 536 . 19 1 1 A 45 45 VAL C C 87 174.343 175.601 -1.258 1
1 537 . 19 1 1 A 45 45 VAL CA C 87 60.551 61.172 -0.621 1
1 538 . 19 1 1 A 45 45 VAL CB C 87 35.225 33.453 1.772 1
1 541 . 19 1 1 A 45 45 VAL N N 87 123.105 124.271 -1.166 1
1 542 . 19 1 1 A 46 46 TRP H H 88 8.574 8.752 -0.178 1
1 543 . 19 1 1 A 46 46 TRP HA H 88 4.789 5.043 -0.254 1
1 552 . 19 1 1 A 46 46 TRP C C 88 175.287 176.708 -1.421 1
1 553 . 19 1 1 A 46 46 TRP CA C 88 57.716 57.132 0.584 1
1 554 . 19 1 1 A 46 46 TRP CB C 88 30.822 30.854 -0.032 1
1 560 . 19 1 1 A 46 46 TRP N N 88 126.326 127.963 -1.637 1
1 562 . 19 1 1 A 47 47 VAL H H 89 9.550 8.501 1.049 1
1 563 . 19 1 1 A 47 47 VAL HA H 89 4.884 5.039 -0.155 1
1 571 . 19 1 1 A 47 47 VAL C C 89 173.675 174.485 -0.810 1
1 572 . 19 1 1 A 47 47 VAL CA C 89 60.713 60.984 -0.271 1
1 573 . 19 1 1 A 47 47 VAL CB C 89 33.847 34.306 -0.459 1
1 576 . 19 1 1 A 47 47 VAL N N 89 123.380 120.773 2.607 1
1 577 . 19 1 1 A 48 48 LEU H H 90 8.757 8.967 -0.210 1
1 578 . 19 1 1 A 48 48 LEU HA H 90 5.181 4.881 0.300 1
1 588 . 19 1 1 A 48 48 LEU C C 90 175.118 175.058 0.060 1
1 589 . 19 1 1 A 48 48 LEU CA C 90 53.567 53.559 0.008 1
1 590 . 19 1 1 A 48 48 LEU CB C 90 45.758 43.482 2.276 1
1 594 . 19 1 1 A 48 48 LEU N N 90 125.653 130.250 -4.597 1
1 595 . 19 1 1 A 49 49 TYR H H 91 9.355 9.088 0.267 1
1 596 . 19 1 1 A 49 49 TYR HA H 91 5.196 5.063 0.133 1
1 603 . 19 1 1 A 49 49 TYR C C 91 172.437 174.229 -1.792 1
1 604 . 19 1 1 A 49 49 TYR CA C 91 56.490 56.514 -0.024 1
1 605 . 19 1 1 A 49 49 TYR CB C 91 41.602 40.702 0.900 1
1 610 . 19 1 1 A 49 49 TYR N N 91 129.351 128.806 0.545 1
1 611 . 19 1 1 A 50 50 LYS H H 92 7.805 8.413 -0.608 1
1 612 . 19 1 1 A 50 50 LYS HA H 92 4.450 4.933 -0.483 1
1 621 . 19 1 1 A 50 50 LYS C C 92 173.949 175.641 -1.692 1
1 622 . 19 1 1 A 50 50 LYS CA C 92 55.264 54.589 0.675 1
1 623 . 19 1 1 A 50 50 LYS CB C 92 32.484 34.631 -2.147 1
1 627 . 19 1 1 A 50 50 LYS N N 92 127.571 126.807 0.764 1
1 628 . 19 1 1 A 51 51 GLY H H 93 7.147 7.997 -0.850 1
1 629 . 19 1 1 A 51 51 GLY HA2 H 93 3.810 3.925 -0.115 1
1 630 . 19 1 1 A 51 51 GLY HA3 H 93 3.609 4.058 -0.449 1
1 631 . 19 1 1 A 51 51 GLY C C 93 170.582 171.779 -1.197 1
1 632 . 19 1 1 A 51 51 GLY CA C 93 43.645 44.647 -1.002 1
1 633 . 19 1 1 A 51 51 GLY N N 93 111.723 109.710 2.013 1
1 634 . 19 1 1 A 52 52 ALA H H 94 8.185 8.170 0.015 1
1 635 . 19 1 1 A 52 52 ALA HA H 94 4.273 4.422 -0.149 1
1 639 . 19 1 1 A 52 52 ALA C C 94 178.775 177.362 1.413 1
1 640 . 19 1 1 A 52 52 ALA CA C 94 52.381 52.136 0.245 1
1 641 . 19 1 1 A 52 52 ALA CB C 94 18.392 18.843 -0.451 1
1 642 . 19 1 1 A 52 52 ALA N N 94 119.165 123.263 -4.098 1
1 643 . 19 1 1 A 53 53 VAL H H 95 8.967 8.648 0.319 1
1 644 . 19 1 1 A 53 53 VAL HA H 95 4.200 4.359 -0.159 1
1 652 . 19 1 1 A 53 53 VAL C C 95 174.416 174.528 -0.112 1
1 653 . 19 1 1 A 53 53 VAL CA C 95 60.028 60.624 -0.596 1
1 654 . 19 1 1 A 53 53 VAL CB C 95 32.712 32.112 0.600 1
1 657 . 19 1 1 A 53 53 VAL N N 95 127.597 124.531 3.066 1
1 658 . 19 1 1 A 54 54 PRO HA H 96 4.609 4.581 0.028 1
1 665 . 19 1 1 A 54 54 PRO C C 96 177.752 177.557 0.195 1
1 666 . 19 1 1 A 54 54 PRO CA C 96 62.907 62.948 -0.041 1
1 667 . 19 1 1 A 54 54 PRO CB C 96 32.850 32.744 0.106 1
1 670 . 19 1 1 A 55 55 ASP H H 97 9.047 9.055 -0.008 1
1 671 . 19 1 1 A 55 55 ASP HA H 97 4.459 4.384 0.075 1
1 674 . 19 1 1 A 55 55 ASP C C 97 176.541 177.931 -1.390 1
1 675 . 19 1 1 A 55 55 ASP CA C 97 56.434 56.855 -0.421 1
1 676 . 19 1 1 A 55 55 ASP CB C 97 39.845 40.424 -0.579 1
1 677 . 19 1 1 A 55 55 ASP N N 97 122.223 124.560 -2.337 1
1 678 . 19 1 1 A 56 56 THR H H 98 7.196 7.580 -0.384 1
1 679 . 19 1 1 A 56 56 THR HA H 98 4.105 4.227 -0.122 1
1 684 . 19 1 1 A 56 56 THR C C 98 174.743 175.037 -0.294 1
1 685 . 19 1 1 A 56 56 THR CA C 98 60.857 63.598 -2.741 1
1 686 . 19 1 1 A 56 56 THR CB C 98 69.227 69.252 -0.025 1
1 688 . 19 1 1 A 56 56 THR N N 98 105.196 108.796 -3.600 1
1 689 . 19 1 1 A 57 57 PHE H H 99 7.766 7.491 0.275 1
1 690 . 19 1 1 A 57 57 PHE HA H 99 3.752 4.360 -0.608 1
1 698 . 19 1 1 A 57 57 PHE C C 99 172.629 174.390 -1.761 1
1 699 . 19 1 1 A 57 57 PHE CA C 99 60.570 59.156 1.414 1
1 700 . 19 1 1 A 57 57 PHE CB C 99 40.156 39.341 0.815 1
1 706 . 19 1 1 A 57 57 PHE N N 99 122.514 124.344 -1.830 1
1 707 . 19 1 1 A 58 58 LYS H H 100 6.468 8.210 -1.742 1
1 708 . 19 1 1 A 58 58 LYS HA H 100 4.409 4.751 -0.342 1
1 717 . 19 1 1 A 58 58 LYS C C 100 171.564 172.975 -1.411 1
1 718 . 19 1 1 A 58 58 LYS CA C 100 53.643 53.657 -0.014 1
1 719 . 19 1 1 A 58 58 LYS CB C 100 32.382 35.346 -2.964 1
1 723 . 19 1 1 A 58 58 LYS N N 100 125.478 123.142 2.336 1
1 724 . 19 1 1 A 59 59 PRO HA H 101 3.708 4.091 -0.383 1
1 731 . 19 1 1 A 59 59 PRO C C 101 176.868 177.490 -0.622 1
1 732 . 19 1 1 A 59 59 PRO CA C 101 63.881 63.644 0.237 1
1 733 . 19 1 1 A 59 59 PRO CB C 101 31.168 31.251 -0.083 1
1 736 . 19 1 1 A 60 60 GLY H H 102 9.269 8.577 0.692 1
1 737 . 19 1 1 A 60 60 GLY HA2 H 102 4.299 3.839 0.460 1
1 738 . 19 1 1 A 60 60 GLY HA3 H 102 3.502 3.841 -0.339 1
1 739 . 19 1 1 A 60 60 GLY C C 102 174.023 174.395 -0.372 1
1 740 . 19 1 1 A 60 60 GLY CA C 102 45.005 45.094 -0.089 1
1 741 . 19 1 1 A 60 60 GLY N N 102 112.023 112.681 -0.658 1
1 742 . 19 1 1 A 61 61 VAL H H 103 7.321 7.402 -0.081 1
1 743 . 19 1 1 A 61 61 VAL HA H 103 4.279 4.082 0.197 1
1 751 . 19 1 1 A 61 61 VAL C C 103 174.073 175.620 -1.547 1
1 752 . 19 1 1 A 61 61 VAL CA C 103 61.277 61.719 -0.442 1
1 753 . 19 1 1 A 61 61 VAL CB C 103 32.882 32.583 0.299 1
1 756 . 19 1 1 A 61 61 VAL N N 103 118.571 121.733 -3.162 1
1 757 . 19 1 1 A 62 62 GLU H H 104 8.204 8.420 -0.216 1
1 758 . 19 1 1 A 62 62 GLU HA H 104 4.946 4.767 0.179 1
1 763 . 19 1 1 A 62 62 GLU C C 104 176.252 176.428 -0.176 1
1 764 . 19 1 1 A 62 62 GLU CA C 104 55.398 56.452 -1.054 1
1 765 . 19 1 1 A 62 62 GLU CB C 104 30.129 30.680 -0.551 1
1 767 . 19 1 1 A 62 62 GLU N N 104 123.214 126.346 -3.132 1
1 768 . 19 1 1 A 63 63 VAL H H 105 9.066 8.997 0.069 1
1 769 . 19 1 1 A 63 63 VAL HA H 105 5.297 5.143 0.154 1
1 777 . 19 1 1 A 63 63 VAL C C 105 173.913 174.786 -0.873 1
1 778 . 19 1 1 A 63 63 VAL CA C 105 58.284 59.113 -0.829 1
1 779 . 19 1 1 A 63 63 VAL CB C 105 36.265 36.139 0.126 1
1 782 . 19 1 1 A 63 63 VAL N N 105 115.526 118.169 -2.643 1
1 783 . 19 1 1 A 64 64 ILE H H 106 8.542 8.719 -0.177 1
1 784 . 19 1 1 A 64 64 ILE HA H 106 4.775 4.725 0.050 1
1 794 . 19 1 1 A 64 64 ILE C C 106 176.511 175.312 1.199 1
1 795 . 19 1 1 A 64 64 ILE CA C 106 60.804 60.144 0.660 1
1 796 . 19 1 1 A 64 64 ILE CB C 106 40.991 40.639 0.352 1
1 800 . 19 1 1 A 64 64 ILE N N 106 120.283 121.462 -1.179 1
1 801 . 19 1 1 A 65 65 ILE H H 107 8.944 8.757 0.187 1
1 802 . 19 1 1 A 65 65 ILE HA H 107 5.197 5.010 0.187 1
1 812 . 19 1 1 A 65 65 ILE C C 107 174.076 173.749 0.327 1
1 813 . 19 1 1 A 65 65 ILE CA C 107 58.384 58.514 -0.130 1
1 814 . 19 1 1 A 65 65 ILE CB C 107 42.082 41.346 0.736 1
1 818 . 19 1 1 A 65 65 ILE N N 107 122.157 122.886 -0.729 1
1 819 . 19 1 1 A 66 66 GLU H H 108 7.762 8.573 -0.811 1
1 820 . 19 1 1 A 66 66 GLU HA H 108 5.801 5.371 0.430 1
1 825 . 19 1 1 A 66 66 GLU C C 108 176.789 175.773 1.016 1
1 826 . 19 1 1 A 66 66 GLU CA C 108 54.063 54.697 -0.634 1
1 827 . 19 1 1 A 66 66 GLU CB C 108 32.818 32.997 -0.179 1
1 829 . 19 1 1 A 66 66 GLU N N 108 119.473 124.786 -5.313 1
1 830 . 19 1 1 A 67 67 GLY H H 109 9.064 8.444 0.620 1
1 831 . 19 1 1 A 67 67 GLY HA2 H 109 4.773 4.152 0.621 1
1 832 . 19 1 1 A 67 67 GLY HA3 H 109 3.948 4.204 -0.256 1
1 833 . 19 1 1 A 67 67 GLY C C 109 170.431 171.904 -1.473 1
1 834 . 19 1 1 A 67 67 GLY CA C 109 46.598 45.854 0.744 1
1 835 . 19 1 1 A 67 67 GLY N N 109 112.366 112.420 -0.054 1
1 836 . 19 1 1 A 68 68 GLY H H 110 7.116 7.705 -0.589 1
1 837 . 19 1 1 A 68 68 GLY HA2 H 110 3.949 3.956 -0.007 1
1 838 . 19 1 1 A 68 68 GLY HA3 H 110 3.732 4.013 -0.281 1
1 839 . 19 1 1 A 68 68 GLY C C 110 170.827 171.347 -0.520 1
1 840 . 19 1 1 A 68 68 GLY CA C 110 45.228 44.877 0.351 1
1 841 . 19 1 1 A 68 68 GLY N N 110 109.402 109.283 0.119 1
1 842 . 19 1 1 A 69 69 LEU H H 111 8.542 8.465 0.077 1
1 843 . 19 1 1 A 69 69 LEU HA H 111 4.546 4.680 -0.134 1
1 853 . 19 1 1 A 69 69 LEU C C 111 175.890 175.883 0.007 1
1 854 . 19 1 1 A 69 69 LEU CA C 111 54.400 53.942 0.458 1
1 855 . 19 1 1 A 69 69 LEU CB C 111 43.814 44.496 -0.682 1
1 859 . 19 1 1 A 69 69 LEU N N 111 122.808 124.545 -1.737 1
1 860 . 19 1 1 A 70 70 ALA H H 112 8.889 8.669 0.220 1
1 861 . 19 1 1 A 70 70 ALA HA H 112 4.639 4.645 -0.006 1
1 865 . 19 1 1 A 70 70 ALA C C 112 174.900 175.737 -0.837 1
1 866 . 19 1 1 A 70 70 ALA CA C 112 49.951 50.413 -0.462 1
1 867 . 19 1 1 A 70 70 ALA CB C 112 18.111 18.611 -0.500 1
1 868 . 19 1 1 A 70 70 ALA N N 112 130.675 129.412 1.263 1
1 869 . 19 1 1 A 71 71 PRO HA H 113 4.338 4.297 0.041 1
1 876 . 19 1 1 A 71 71 PRO C C 113 178.206 177.574 0.632 1
1 877 . 19 1 1 A 71 71 PRO CA C 113 64.055 63.877 0.178 1
1 878 . 19 1 1 A 71 71 PRO CB C 113 31.754 31.337 0.417 1
1 881 . 19 1 1 A 72 72 GLY H H 114 8.748 8.756 -0.008 1
1 882 . 19 1 1 A 72 72 GLY HA2 H 114 4.165 3.895 0.270 1
1 883 . 19 1 1 A 72 72 GLY HA3 H 114 3.775 3.901 -0.126 1
1 884 . 19 1 1 A 72 72 GLY C C 114 174.200 173.906 0.294 1
1 885 . 19 1 1 A 72 72 GLY CA C 114 45.602 45.408 0.194 1
1 886 . 19 1 1 A 72 72 GLY N N 114 111.945 112.618 -0.673 1
1 887 . 19 1 1 A 73 73 GLU H H 115 7.931 7.571 0.360 1
1 888 . 19 1 1 A 73 73 GLU HA H 115 4.581 4.628 -0.047 1
1 893 . 19 1 1 A 73 73 GLU C C 115 175.843 175.626 0.217 1
1 894 . 19 1 1 A 73 73 GLU CA C 115 55.732 55.038 0.694 1
1 895 . 19 1 1 A 73 73 GLU CB C 115 31.128 31.514 -0.386 1
1 897 . 19 1 1 A 73 73 GLU N N 115 118.591 119.985 -1.394 1
1 898 . 19 1 1 A 74 74 ASP H H 116 8.467 8.671 -0.204 1
1 899 . 19 1 1 A 74 74 ASP HA H 116 4.823 4.923 -0.100 1
1 902 . 19 1 1 A 74 74 ASP C C 116 175.848 175.500 0.348 1
1 903 . 19 1 1 A 74 74 ASP CA C 116 53.831 53.323 0.508 1
1 904 . 19 1 1 A 74 74 ASP CB C 116 41.052 41.215 -0.163 1
1 905 . 19 1 1 A 74 74 ASP N N 116 118.021 119.109 -1.088 1
1 906 . 19 1 1 A 75 75 THR H H 117 7.301 7.431 -0.130 1
1 907 . 19 1 1 A 75 75 THR HA H 117 4.620 4.873 -0.253 1
1 912 . 19 1 1 A 75 75 THR C C 117 172.120 172.747 -0.627 1
1 913 . 19 1 1 A 75 75 THR CA C 117 61.907 60.091 1.816 1
1 914 . 19 1 1 A 75 75 THR CB C 117 71.398 70.806 0.592 1
1 916 . 19 1 1 A 75 75 THR N N 117 114.820 113.889 0.931 1
1 917 . 19 1 1 A 76 76 PHE H H 118 9.657 9.457 0.200 1
1 918 . 19 1 1 A 76 76 PHE HA H 118 4.290 4.635 -0.345 1
1 926 . 19 1 1 A 76 76 PHE C C 118 174.118 174.297 -0.179 1
1 927 . 19 1 1 A 76 76 PHE CA C 118 58.185 57.090 1.095 1
1 928 . 19 1 1 A 76 76 PHE CB C 118 40.718 39.102 1.616 1
1 934 . 19 1 1 A 76 76 PHE N N 118 130.378 130.517 -0.139 1
1 935 . 19 1 1 A 77 77 LYS H H 119 8.364 8.218 0.146 1
1 936 . 19 1 1 A 77 77 LYS HA H 119 4.853 4.581 0.272 1
1 945 . 19 1 1 A 77 77 LYS C C 119 175.278 175.514 -0.236 1
1 946 . 19 1 1 A 77 77 LYS CA C 119 55.282 55.608 -0.326 1
1 947 . 19 1 1 A 77 77 LYS CB C 119 31.319 32.441 -1.122 1
1 951 . 19 1 1 A 77 77 LYS N N 119 129.777 127.429 2.348 1
1 952 . 19 1 1 A 78 78 ALA H H 120 8.837 8.585 0.252 1
1 953 . 19 1 1 A 78 78 ALA HA H 120 4.828 4.494 0.334 1
1 957 . 19 1 1 A 78 78 ALA C C 120 176.015 176.954 -0.939 1
1 958 . 19 1 1 A 78 78 ALA CA C 120 51.435 52.585 -1.150 1
1 959 . 19 1 1 A 78 78 ALA CB C 120 20.006 20.214 -0.208 1
1 960 . 19 1 1 A 78 78 ALA N N 120 129.771 128.959 0.812 1
1 961 . 19 1 1 A 79 79 ARG H H 121 9.846 9.261 0.585 1
1 962 . 19 1 1 A 79 79 ARG HA H 121 4.582 4.525 0.057 1
1 970 . 19 1 1 A 79 79 ARG C C 121 176.651 175.767 0.884 1
1 971 . 19 1 1 A 79 79 ARG CA C 121 57.420 57.112 0.308 1
1 972 . 19 1 1 A 79 79 ARG CB C 121 31.773 33.254 -1.481 1
1 975 . 19 1 1 A 79 79 ARG N N 121 125.113 120.948 4.165 1
1 977 . 19 1 1 A 80 80 THR H H 122 7.938 7.967 -0.029 1
1 978 . 19 1 1 A 80 80 THR HA H 122 4.921 5.312 -0.391 1
1 983 . 19 1 1 A 80 80 THR C C 122 172.002 173.037 -1.035 1
1 984 . 19 1 1 A 80 80 THR CA C 122 60.475 60.353 0.122 1
1 985 . 19 1 1 A 80 80 THR CB C 122 72.093 72.683 -0.590 1
1 987 . 19 1 1 A 80 80 THR N N 122 109.595 109.749 -0.154 1
1 988 . 19 1 1 A 81 81 LEU H H 123 8.196 8.520 -0.324 1
1 989 . 19 1 1 A 81 81 LEU HA H 123 4.701 4.710 -0.009 1
1 999 . 19 1 1 A 81 81 LEU C C 123 173.804 174.346 -0.542 1
1 1000 . 19 1 1 A 81 81 LEU CA C 123 55.357 54.453 0.904 1
1 1001 . 19 1 1 A 81 81 LEU CB C 123 44.009 45.010 -1.001 1
1 1005 . 19 1 1 A 81 81 LEU N N 123 123.214 122.744 0.470 1
1 1006 . 19 1 1 A 82 82 MET H H 124 8.700 8.910 -0.210 1
1 1007 . 19 1 1 A 82 82 MET HA H 124 4.841 5.223 -0.382 1
1 1015 . 19 1 1 A 82 82 MET C C 124 175.097 174.646 0.451 1
1 1016 . 19 1 1 A 82 82 MET CA C 124 54.190 53.478 0.712 1
1 1017 . 19 1 1 A 82 82 MET CB C 124 36.191 35.718 0.473 1
1 1020 . 19 1 1 A 82 82 MET N N 124 124.452 123.480 0.972 1
1 1021 . 19 1 1 A 83 83 THR H H 125 8.671 8.525 0.146 1
1 1022 . 19 1 1 A 83 83 THR HA H 125 4.934 4.937 -0.003 1
1 1027 . 19 1 1 A 83 83 THR C C 125 174.094 176.047 -1.953 1
1 1028 . 19 1 1 A 83 83 THR CA C 125 60.253 60.066 0.187 1
1 1029 . 19 1 1 A 83 83 THR CB C 125 69.831 70.682 -0.851 1
1 1031 . 19 1 1 A 83 83 THR N N 125 113.070 112.495 0.575 1
1 1032 . 19 1 1 A 84 84 LYS H H 126 8.419 8.959 -0.540 1
1 1033 . 19 1 1 A 84 84 LYS HA H 126 4.446 4.121 0.325 1
1 1042 . 19 1 1 A 84 84 LYS C C 126 175.461 177.451 -1.990 1
1 1043 . 19 1 1 A 84 84 LYS CA C 126 55.500 58.520 -3.020 1
1 1044 . 19 1 1 A 84 84 LYS CB C 126 33.736 32.181 1.555 1
1 1048 . 19 1 1 A 84 84 LYS N N 126 123.139 122.437 0.702 1
1 1049 . 19 1 1 A 85 85 CYS H H 127 8.543 7.756 0.787 1
1 1050 . 19 1 1 A 85 85 CYS HA H 127 4.795 4.701 0.094 1
1 1053 . 19 1 1 A 85 85 CYS C C 127 172.809 173.692 -0.883 1
1 1054 . 19 1 1 A 85 85 CYS CA C 127 56.423 56.874 -0.451 1
1 1055 . 19 1 1 A 85 85 CYS CB C 127 27.739 28.526 -0.787 1
1 1056 . 19 1 1 A 85 85 CYS N N 127 123.709 119.311 4.398 1
1 1057 . 19 1 1 A 86 86 PRO HA H 128 4.439 4.600 -0.161 1
1 1064 . 19 1 1 A 86 86 PRO C C 128 176.560 176.457 0.103 1
1 1065 . 19 1 1 A 86 86 PRO CA C 128 63.292 62.401 0.891 1
1 1066 . 19 1 1 A 86 86 PRO CB C 128 32.165 32.526 -0.361 1
1 1069 . 19 1 1 A 87 87 LEU H H 129 8.274 8.379 -0.105 1
1 1070 . 19 1 1 A 87 87 LEU HA H 129 4.256 4.293 -0.037 1
1 1080 . 19 1 1 A 87 87 LEU C C 129 177.141 177.749 -0.608 1
1 1081 . 19 1 1 A 87 87 LEU CA C 129 55.281 55.880 -0.599 1
1 1082 . 19 1 1 A 87 87 LEU CB C 129 42.299 42.568 -0.269 1
1 1086 . 19 1 1 A 87 87 LEU N N 129 122.188 123.545 -1.357 1
1 1 . 20 1 1 A 2 2 ALA HA H 44 4.214 5.037 -0.823 1
1 5 . 20 1 1 A 2 2 ALA C C 44 173.758 176.313 -2.555 1
1 6 . 20 1 1 A 2 2 ALA CA C 44 51.848 50.976 0.872 1
1 7 . 20 1 1 A 2 2 ALA CB C 44 19.505 23.938 -4.433 1
1 8 . 20 1 1 A 3 3 THR H H 45 8.709 8.425 0.284 1
1 9 . 20 1 1 A 3 3 THR HA H 45 4.694 4.651 0.043 1
1 14 . 20 1 1 A 3 3 THR CA C 45 60.191 60.199 -0.008 1
1 15 . 20 1 1 A 3 3 THR CB C 45 69.815 69.433 0.382 1
1 17 . 20 1 1 A 3 3 THR N N 45 116.649 114.200 2.449 1
1 18 . 20 1 1 A 4 4 PRO HA H 46 4.412 4.722 -0.310 1
1 25 . 20 1 1 A 4 4 PRO C C 46 177.212 177.503 -0.291 1
1 26 . 20 1 1 A 4 4 PRO CA C 46 63.698 63.200 0.498 1
1 27 . 20 1 1 A 4 4 PRO CB C 46 32.117 31.626 0.491 1
1 30 . 20 1 1 A 5 5 GLN H H 47 8.463 8.853 -0.390 1
1 31 . 20 1 1 A 5 5 GLN HA H 47 4.260 4.065 0.195 1
1 38 . 20 1 1 A 5 5 GLN C C 47 176.073 174.137 1.936 1
1 39 . 20 1 1 A 5 5 GLN CA C 47 56.328 56.664 -0.336 1
1 40 . 20 1 1 A 5 5 GLN CB C 47 29.286 27.387 1.899 1
1 43 . 20 1 1 A 5 5 GLN N N 47 119.945 119.698 0.247 1
1 45 . 20 1 1 A 6 6 ASP H H 48 8.276 8.141 0.135 1
1 46 . 20 1 1 A 6 6 ASP HA H 48 4.558 4.993 -0.435 1
1 49 . 20 1 1 A 6 6 ASP C C 48 176.454 176.125 0.329 1
1 50 . 20 1 1 A 6 6 ASP CA C 48 54.538 53.506 1.032 1
1 51 . 20 1 1 A 6 6 ASP CB C 48 40.873 42.612 -1.739 1
1 52 . 20 1 1 A 6 6 ASP N N 48 120.974 127.128 -6.154 1
1 53 . 20 1 1 A 7 7 LYS H H 49 8.218 8.795 -0.577 1
1 54 . 20 1 1 A 7 7 LYS HA H 49 4.264 4.136 0.128 1
1 63 . 20 1 1 A 7 7 LYS C C 49 176.665 176.569 0.096 1
1 64 . 20 1 1 A 7 7 LYS CA C 49 56.655 58.520 -1.865 1
1 65 . 20 1 1 A 7 7 LYS CB C 49 32.837 32.022 0.815 1
1 69 . 20 1 1 A 7 7 LYS N N 49 120.950 123.720 -2.770 1
1 70 . 20 1 1 A 8 8 LEU H H 50 8.010 7.508 0.502 1
1 71 . 20 1 1 A 8 8 LEU HA H 50 4.279 4.670 -0.391 1
1 81 . 20 1 1 A 8 8 LEU C C 50 177.110 175.300 1.810 1
1 82 . 20 1 1 A 8 8 LEU CA C 50 55.353 54.128 1.225 1
1 83 . 20 1 1 A 8 8 LEU CB C 50 42.302 42.319 -0.017 1
1 87 . 20 1 1 A 8 8 LEU N N 50 121.105 118.050 3.055 1
1 88 . 20 1 1 A 9 9 HIS H H 51 8.411 7.277 1.134 1
1 89 . 20 1 1 A 9 9 HIS HA H 51 4.780 5.175 -0.395 1
1 92 . 20 1 1 A 9 9 HIS C C 51 174.285 173.939 0.346 1
1 93 . 20 1 1 A 9 9 HIS CA C 51 55.320 53.390 1.930 1
1 94 . 20 1 1 A 9 9 HIS CB C 51 28.827 32.389 -3.562 1
1 95 . 20 1 1 A 9 9 HIS N N 51 119.035 119.933 -0.898 1
1 96 . 20 1 1 A 10 10 THR H H 52 8.178 8.766 -0.588 1
1 97 . 20 1 1 A 10 10 THR HA H 52 4.488 4.542 -0.054 1
1 102 . 20 1 1 A 10 10 THR C C 52 173.766 174.092 -0.326 1
1 103 . 20 1 1 A 10 10 THR CA C 52 62.392 63.044 -0.652 1
1 104 . 20 1 1 A 10 10 THR CB C 52 70.104 68.933 1.171 1
1 106 . 20 1 1 A 10 10 THR N N 52 117.285 123.072 -5.787 1
1 107 . 20 1 1 A 11 11 VAL H H 53 9.088 9.108 -0.020 1
1 108 . 20 1 1 A 11 11 VAL HA H 53 4.464 4.657 -0.193 1
1 116 . 20 1 1 A 11 11 VAL C C 53 174.048 174.816 -0.768 1
1 117 . 20 1 1 A 11 11 VAL CA C 53 61.359 61.707 -0.348 1
1 118 . 20 1 1 A 11 11 VAL CB C 53 34.602 32.853 1.749 1
1 121 . 20 1 1 A 11 11 VAL N N 53 123.969 128.880 -4.911 1
1 122 . 20 1 1 A 12 12 ARG H H 54 8.386 8.903 -0.517 1
1 123 . 20 1 1 A 12 12 ARG HA H 54 5.495 4.624 0.871 1
1 131 . 20 1 1 A 12 12 ARG C C 54 175.364 174.952 0.412 1
1 132 . 20 1 1 A 12 12 ARG CA C 54 54.401 55.882 -1.481 1
1 133 . 20 1 1 A 12 12 ARG CB C 54 32.753 31.006 1.747 1
1 136 . 20 1 1 A 12 12 ARG N N 54 125.294 127.785 -2.491 1
1 138 . 20 1 1 A 13 13 LEU H H 55 8.828 9.034 -0.206 1
1 139 . 20 1 1 A 13 13 LEU HA H 55 4.726 5.168 -0.442 1
1 149 . 20 1 1 A 13 13 LEU C C 55 174.223 174.264 -0.041 1
1 150 . 20 1 1 A 13 13 LEU CA C 55 53.309 53.190 0.119 1
1 151 . 20 1 1 A 13 13 LEU CB C 55 45.884 45.212 0.672 1
1 155 . 20 1 1 A 13 13 LEU N N 55 124.874 128.907 -4.033 1
1 156 . 20 1 1 A 14 14 PHE H H 56 8.195 9.192 -0.997 1
1 157 . 20 1 1 A 14 14 PHE HA H 56 5.576 5.511 0.065 1
1 165 . 20 1 1 A 14 14 PHE C C 56 175.266 176.265 -0.999 1
1 166 . 20 1 1 A 14 14 PHE CA C 56 55.009 55.508 -0.499 1
1 167 . 20 1 1 A 14 14 PHE CB C 56 42.340 41.473 0.867 1
1 173 . 20 1 1 A 14 14 PHE N N 56 118.334 125.724 -7.390 1
1 174 . 20 1 1 A 15 15 GLY H H 57 8.134 8.589 -0.455 1
1 175 . 20 1 1 A 15 15 GLY HA2 H 57 4.229 4.302 -0.073 1
1 176 . 20 1 1 A 15 15 GLY HA3 H 57 4.004 4.317 -0.313 1
1 177 . 20 1 1 A 15 15 GLY C C 57 171.108 171.898 -0.790 1
1 178 . 20 1 1 A 15 15 GLY CA C 57 45.857 45.437 0.420 1
1 179 . 20 1 1 A 15 15 GLY N N 57 109.159 109.914 -0.755 1
1 180 . 20 1 1 A 16 16 THR H H 58 8.595 8.409 0.186 1
1 181 . 20 1 1 A 16 16 THR HA H 58 5.114 5.185 -0.071 1
1 186 . 20 1 1 A 16 16 THR C C 58 174.484 173.971 0.513 1
1 187 . 20 1 1 A 16 16 THR CA C 58 60.591 61.269 -0.678 1
1 188 . 20 1 1 A 16 16 THR CB C 58 71.164 71.502 -0.338 1
1 190 . 20 1 1 A 16 16 THR N N 58 113.580 115.392 -1.812 1
1 191 . 20 1 1 A 17 17 VAL H H 59 8.053 8.683 -0.630 1
1 192 . 20 1 1 A 17 17 VAL HA H 59 3.876 4.196 -0.320 1
1 200 . 20 1 1 A 17 17 VAL C C 59 176.315 175.909 0.406 1
1 201 . 20 1 1 A 17 17 VAL CA C 59 63.549 62.841 0.708 1
1 202 . 20 1 1 A 17 17 VAL CB C 59 32.779 31.566 1.213 1
1 205 . 20 1 1 A 17 17 VAL N N 59 124.410 127.031 -2.621 1
1 206 . 20 1 1 A 18 18 ALA H H 60 8.931 8.840 0.091 1
1 207 . 20 1 1 A 18 18 ALA HA H 60 4.354 4.359 -0.005 1
1 211 . 20 1 1 A 18 18 ALA C C 60 177.293 177.908 -0.615 1
1 212 . 20 1 1 A 18 18 ALA CA C 60 52.138 52.306 -0.168 1
1 213 . 20 1 1 A 18 18 ALA CB C 60 19.782 19.349 0.433 1
1 214 . 20 1 1 A 18 18 ALA N N 60 133.912 130.198 3.714 1
1 215 . 20 1 1 A 19 19 ALA H H 61 8.548 8.663 -0.115 1
1 216 . 20 1 1 A 19 19 ALA HA H 61 4.105 4.125 -0.020 1
1 220 . 20 1 1 A 19 19 ALA C C 61 178.793 177.232 1.561 1
1 221 . 20 1 1 A 19 19 ALA CA C 61 54.218 54.187 0.031 1
1 222 . 20 1 1 A 19 19 ALA CB C 61 18.969 19.158 -0.189 1
1 223 . 20 1 1 A 19 19 ALA N N 61 121.667 124.045 -2.378 1
1 224 . 20 1 1 A 20 20 ASP H H 62 8.117 7.800 0.317 1
1 225 . 20 1 1 A 20 20 ASP HA H 62 4.602 4.613 -0.011 1
1 228 . 20 1 1 A 20 20 ASP C C 62 177.210 177.050 0.160 1
1 229 . 20 1 1 A 20 20 ASP CA C 62 54.575 55.229 -0.654 1
1 230 . 20 1 1 A 20 20 ASP CB C 62 41.188 40.603 0.585 1
1 231 . 20 1 1 A 20 20 ASP N N 62 115.534 118.694 -3.160 1
1 232 . 20 1 1 A 21 21 GLY H H 63 8.996 9.083 -0.087 1
1 233 . 20 1 1 A 21 21 GLY HA2 H 63 4.311 3.991 0.320 1
1 234 . 20 1 1 A 21 21 GLY HA3 H 63 3.888 4.173 -0.285 1
1 235 . 20 1 1 A 21 21 GLY C C 63 173.384 174.269 -0.885 1
1 236 . 20 1 1 A 21 21 GLY CA C 63 46.124 45.414 0.710 1
1 237 . 20 1 1 A 21 21 GLY N N 63 112.754 111.073 1.681 1
1 238 . 20 1 1 A 22 22 LEU H H 64 7.380 7.940 -0.560 1
1 239 . 20 1 1 A 22 22 LEU HA H 64 4.964 4.851 0.113 1
1 249 . 20 1 1 A 22 22 LEU C C 64 178.011 175.277 2.734 1
1 250 . 20 1 1 A 22 22 LEU CA C 64 57.159 54.661 2.498 1
1 251 . 20 1 1 A 22 22 LEU CB C 64 42.160 42.405 -0.245 1
1 255 . 20 1 1 A 22 22 LEU N N 64 123.991 123.696 0.295 1
1 256 . 20 1 1 A 23 23 THR H H 65 9.752 9.400 0.352 1
1 257 . 20 1 1 A 23 23 THR HA H 65 4.755 5.023 -0.268 1
1 262 . 20 1 1 A 23 23 THR C C 65 173.249 173.597 -0.348 1
1 263 . 20 1 1 A 23 23 THR CA C 65 61.231 61.675 -0.444 1
1 264 . 20 1 1 A 23 23 THR CB C 65 71.995 70.855 1.140 1
1 266 . 20 1 1 A 23 23 THR N N 65 124.024 123.637 0.387 1
1 267 . 20 1 1 A 24 24 MET H H 66 8.881 8.554 0.327 1
1 268 . 20 1 1 A 24 24 MET HA H 66 5.019 4.815 0.204 1
1 276 . 20 1 1 A 24 24 MET C C 66 176.750 176.262 0.488 1
1 277 . 20 1 1 A 24 24 MET CA C 66 54.452 54.472 -0.020 1
1 278 . 20 1 1 A 24 24 MET CB C 66 31.809 33.376 -1.567 1
1 281 . 20 1 1 A 24 24 MET N N 66 125.215 126.256 -1.041 1
1 282 . 20 1 1 A 25 25 LEU H H 67 8.037 8.220 -0.183 1
1 283 . 20 1 1 A 25 25 LEU HA H 67 4.253 4.291 -0.038 1
1 293 . 20 1 1 A 25 25 LEU C C 67 176.617 176.207 0.410 1
1 294 . 20 1 1 A 25 25 LEU CA C 67 55.259 55.239 0.020 1
1 295 . 20 1 1 A 25 25 LEU CB C 67 41.019 41.714 -0.695 1
1 299 . 20 1 1 A 25 25 LEU N N 67 123.282 123.001 0.281 1
1 300 . 20 1 1 A 26 26 ASP H H 68 8.419 8.940 -0.521 1
1 301 . 20 1 1 A 26 26 ASP HA H 68 4.695 4.311 0.384 1
1 304 . 20 1 1 A 26 26 ASP C C 68 176.728 177.154 -0.426 1
1 305 . 20 1 1 A 26 26 ASP CA C 68 53.907 55.923 -2.016 1
1 306 . 20 1 1 A 26 26 ASP CB C 68 41.338 39.899 1.439 1
1 307 . 20 1 1 A 26 26 ASP N N 68 120.434 125.355 -4.921 1
1 308 . 20 1 1 A 27 27 GLY H H 69 8.607 8.744 -0.137 1
1 309 . 20 1 1 A 27 27 GLY HA2 H 69 4.055 3.879 0.176 1
1 310 . 20 1 1 A 27 27 GLY HA3 H 69 3.665 3.881 -0.216 1
1 311 . 20 1 1 A 27 27 GLY C C 69 173.151 173.509 -0.358 1
1 312 . 20 1 1 A 27 27 GLY CA C 69 45.895 46.232 -0.337 1
1 313 . 20 1 1 A 27 27 GLY N N 69 112.545 112.085 0.460 1
1 314 . 20 1 1 A 28 28 ALA H H 70 7.634 7.385 0.249 1
1 315 . 20 1 1 A 28 28 ALA HA H 70 4.575 4.770 -0.195 1
1 319 . 20 1 1 A 28 28 ALA C C 70 174.090 174.783 -0.693 1
1 320 . 20 1 1 A 28 28 ALA CA C 70 50.137 49.655 0.482 1
1 321 . 20 1 1 A 28 28 ALA CB C 70 19.221 21.929 -2.708 1
1 322 . 20 1 1 A 28 28 ALA N N 70 125.545 121.399 4.146 1
1 323 . 20 1 1 A 29 29 PRO HA H 71 4.462 4.399 0.063 1
1 330 . 20 1 1 A 29 29 PRO C C 71 176.671 175.901 0.770 1
1 331 . 20 1 1 A 29 29 PRO CA C 71 63.021 63.579 -0.558 1
1 332 . 20 1 1 A 29 29 PRO CB C 71 32.015 31.336 0.679 1
1 335 . 20 1 1 A 30 30 GLY H H 72 7.988 8.024 -0.036 1
1 336 . 20 1 1 A 30 30 GLY HA2 H 72 5.001 4.037 0.964 1
1 337 . 20 1 1 A 30 30 GLY HA3 H 72 3.991 4.045 -0.054 1
1 338 . 20 1 1 A 30 30 GLY C C 72 172.906 171.168 1.738 1
1 339 . 20 1 1 A 30 30 GLY CA C 72 45.642 44.912 0.730 1
1 340 . 20 1 1 A 30 30 GLY N N 72 109.355 110.558 -1.203 1
1 341 . 20 1 1 A 31 31 VAL H H 73 9.332 8.604 0.728 1
1 342 . 20 1 1 A 31 31 VAL HA H 73 5.194 4.920 0.274 1
1 350 . 20 1 1 A 31 31 VAL C C 73 171.443 172.994 -1.551 1
1 351 . 20 1 1 A 31 31 VAL CA C 73 60.233 59.871 0.362 1
1 352 . 20 1 1 A 31 31 VAL CB C 73 35.471 35.322 0.149 1
1 355 . 20 1 1 A 31 31 VAL N N 73 116.539 118.504 -1.965 1
1 356 . 20 1 1 A 32 32 ARG H H 74 8.956 9.178 -0.222 1
1 357 . 20 1 1 A 32 32 ARG HA H 74 5.999 5.822 0.177 1
1 365 . 20 1 1 A 32 32 ARG C C 74 174.581 175.340 -0.759 1
1 366 . 20 1 1 A 32 32 ARG CA C 74 54.187 54.572 -0.385 1
1 367 . 20 1 1 A 32 32 ARG CB C 74 33.463 33.160 0.303 1
1 370 . 20 1 1 A 32 32 ARG N N 74 127.557 129.239 -1.682 1
1 372 . 20 1 1 A 33 33 PHE H H 75 9.262 8.562 0.700 1
1 373 . 20 1 1 A 33 33 PHE HA H 75 5.461 5.561 -0.100 1
1 381 . 20 1 1 A 33 33 PHE C C 75 171.210 172.465 -1.255 1
1 382 . 20 1 1 A 33 33 PHE CA C 75 55.947 55.883 0.064 1
1 383 . 20 1 1 A 33 33 PHE CB C 75 41.151 41.691 -0.540 1
1 389 . 20 1 1 A 33 33 PHE N N 75 120.514 121.532 -1.018 1
1 390 . 20 1 1 A 34 34 ARG H H 76 9.921 8.618 1.303 1
1 391 . 20 1 1 A 34 34 ARG HA H 76 4.368 4.450 -0.082 1
1 399 . 20 1 1 A 34 34 ARG C C 76 173.994 174.320 -0.326 1
1 400 . 20 1 1 A 34 34 ARG CA C 76 54.594 55.664 -1.070 1
1 401 . 20 1 1 A 34 34 ARG CB C 76 31.539 31.526 0.013 1
1 404 . 20 1 1 A 34 34 ARG N N 76 122.011 119.372 2.639 1
1 406 . 20 1 1 A 35 35 LEU H H 77 8.781 8.946 -0.165 1
1 407 . 20 1 1 A 35 35 LEU HA H 77 4.755 5.036 -0.281 1
1 417 . 20 1 1 A 35 35 LEU C C 77 176.305 175.278 1.027 1
1 418 . 20 1 1 A 35 35 LEU CA C 77 53.188 53.791 -0.603 1
1 419 . 20 1 1 A 35 35 LEU CB C 77 44.689 44.312 0.377 1
1 423 . 20 1 1 A 35 35 LEU N N 77 127.038 126.711 0.327 1
1 424 . 20 1 1 A 36 36 GLU H H 78 9.342 8.866 0.476 1
1 425 . 20 1 1 A 36 36 GLU HA H 78 4.531 4.468 0.063 1
1 430 . 20 1 1 A 36 36 GLU C C 78 175.380 175.456 -0.076 1
1 431 . 20 1 1 A 36 36 GLU CA C 78 54.829 56.036 -1.207 1
1 432 . 20 1 1 A 36 36 GLU CB C 78 29.842 29.027 0.815 1
1 434 . 20 1 1 A 36 36 GLU N N 78 126.891 126.806 0.085 1
1 435 . 20 1 1 A 37 37 ASP H H 79 8.418 8.693 -0.275 1
1 436 . 20 1 1 A 37 37 ASP HA H 79 4.630 4.627 0.003 1
1 439 . 20 1 1 A 37 37 ASP C C 79 176.623 176.118 0.505 1
1 440 . 20 1 1 A 37 37 ASP CA C 79 53.996 53.044 0.952 1
1 441 . 20 1 1 A 37 37 ASP CB C 79 41.401 40.582 0.819 1
1 442 . 20 1 1 A 37 37 ASP N N 79 125.084 125.840 -0.756 1
1 443 . 20 1 1 A 38 38 LYS H H 80 8.691 8.754 -0.063 1
1 444 . 20 1 1 A 38 38 LYS HA H 80 4.064 3.914 0.150 1
1 453 . 20 1 1 A 38 38 LYS C C 80 176.779 175.054 1.725 1
1 454 . 20 1 1 A 38 38 LYS CA C 80 57.994 57.274 0.720 1
1 455 . 20 1 1 A 38 38 LYS CB C 80 32.404 31.523 0.881 1
1 459 . 20 1 1 A 38 38 LYS N N 80 124.179 126.032 -1.853 1
1 460 . 20 1 1 A 39 39 ASP H H 81 8.355 8.602 -0.247 1
1 461 . 20 1 1 A 39 39 ASP HA H 81 4.591 4.181 0.410 1
1 464 . 20 1 1 A 39 39 ASP C C 81 175.682 174.339 1.343 1
1 465 . 20 1 1 A 39 39 ASP CA C 81 54.888 55.743 -0.855 1
1 466 . 20 1 1 A 39 39 ASP CB C 81 41.040 39.551 1.489 1
1 467 . 20 1 1 A 39 39 ASP N N 81 117.392 114.068 3.324 1
1 468 . 20 1 1 A 40 40 ASN H H 82 7.954 7.711 0.243 1
1 469 . 20 1 1 A 40 40 ASN HA H 82 4.785 5.115 -0.330 1
1 474 . 20 1 1 A 40 40 ASN C C 82 175.435 175.317 0.118 1
1 475 . 20 1 1 A 40 40 ASN CA C 82 53.032 51.496 1.536 1
1 476 . 20 1 1 A 40 40 ASN CB C 82 38.471 41.316 -2.845 1
1 478 . 20 1 1 A 40 40 ASN N N 82 117.785 113.561 4.224 1
1 480 . 20 1 1 A 41 41 THR H H 83 8.518 8.686 -0.168 1
1 481 . 20 1 1 A 41 41 THR HA H 83 4.243 4.254 -0.011 1
1 486 . 20 1 1 A 41 41 THR C C 83 175.191 176.523 -1.332 1
1 487 . 20 1 1 A 41 41 THR CA C 83 63.584 64.140 -0.556 1
1 488 . 20 1 1 A 41 41 THR CB C 83 69.267 69.908 -0.641 1
1 490 . 20 1 1 A 41 41 THR N N 83 114.265 118.018 -3.753 1
1 491 . 20 1 1 A 42 42 SER H H 84 8.179 7.841 0.338 1
1 492 . 20 1 1 A 42 42 SER HA H 84 4.439 4.265 0.174 1
1 495 . 20 1 1 A 42 42 SER C C 84 174.269 174.434 -0.165 1
1 496 . 20 1 1 A 42 42 SER CA C 84 59.222 61.166 -1.944 1
1 497 . 20 1 1 A 42 42 SER CB C 84 63.627 62.941 0.686 1
1 498 . 20 1 1 A 42 42 SER N N 84 115.576 115.400 0.176 1
1 499 . 20 1 1 A 43 43 LYS H H 85 7.911 7.727 0.184 1
1 500 . 20 1 1 A 43 43 LYS HA H 85 4.460 4.406 0.054 1
1 509 . 20 1 1 A 43 43 LYS C C 85 175.440 175.204 0.236 1
1 510 . 20 1 1 A 43 43 LYS CA C 85 55.961 55.473 0.488 1
1 511 . 20 1 1 A 43 43 LYS CB C 85 33.032 31.918 1.114 1
1 515 . 20 1 1 A 43 43 LYS N N 85 123.691 120.182 3.509 1
1 516 . 20 1 1 A 44 44 THR H H 86 8.165 8.576 -0.411 1
1 517 . 20 1 1 A 44 44 THR HA H 86 4.904 5.662 -0.758 1
1 522 . 20 1 1 A 44 44 THR C C 86 173.685 173.227 0.458 1
1 523 . 20 1 1 A 44 44 THR CA C 86 60.794 59.971 0.823 1
1 524 . 20 1 1 A 44 44 THR CB C 86 71.046 70.618 0.428 1
1 526 . 20 1 1 A 44 44 THR N N 86 117.392 114.970 2.422 1
1 527 . 20 1 1 A 45 45 VAL H H 87 8.155 8.675 -0.520 1
1 528 . 20 1 1 A 45 45 VAL HA H 87 4.402 4.412 -0.010 1
1 536 . 20 1 1 A 45 45 VAL C C 87 174.343 175.236 -0.893 1
1 537 . 20 1 1 A 45 45 VAL CA C 87 60.551 61.019 -0.468 1
1 538 . 20 1 1 A 45 45 VAL CB C 87 35.225 33.611 1.614 1
1 541 . 20 1 1 A 45 45 VAL N N 87 123.105 124.040 -0.935 1
1 542 . 20 1 1 A 46 46 TRP H H 88 8.574 8.885 -0.311 1
1 543 . 20 1 1 A 46 46 TRP HA H 88 4.789 5.184 -0.395 1
1 552 . 20 1 1 A 46 46 TRP C C 88 175.287 176.200 -0.913 1
1 553 . 20 1 1 A 46 46 TRP CA C 88 57.716 56.819 0.897 1
1 554 . 20 1 1 A 46 46 TRP CB C 88 30.822 30.550 0.272 1
1 560 . 20 1 1 A 46 46 TRP N N 88 126.326 128.352 -2.026 1
1 562 . 20 1 1 A 47 47 VAL H H 89 9.550 8.993 0.557 1
1 563 . 20 1 1 A 47 47 VAL HA H 89 4.884 4.950 -0.066 1
1 571 . 20 1 1 A 47 47 VAL C C 89 173.675 174.272 -0.597 1
1 572 . 20 1 1 A 47 47 VAL CA C 89 60.713 61.143 -0.430 1
1 573 . 20 1 1 A 47 47 VAL CB C 89 33.847 32.750 1.097 1
1 576 . 20 1 1 A 47 47 VAL N N 89 123.380 123.627 -0.247 1
1 577 . 20 1 1 A 48 48 LEU H H 90 8.757 8.917 -0.160 1
1 578 . 20 1 1 A 48 48 LEU HA H 90 5.181 4.908 0.273 1
1 588 . 20 1 1 A 48 48 LEU C C 90 175.118 174.988 0.130 1
1 589 . 20 1 1 A 48 48 LEU CA C 90 53.567 53.566 0.001 1
1 590 . 20 1 1 A 48 48 LEU CB C 90 45.758 43.264 2.494 1
1 594 . 20 1 1 A 48 48 LEU N N 90 125.653 130.200 -4.547 1
1 595 . 20 1 1 A 49 49 TYR H H 91 9.355 9.076 0.279 1
1 596 . 20 1 1 A 49 49 TYR HA H 91 5.196 5.213 -0.017 1
1 603 . 20 1 1 A 49 49 TYR C C 91 172.437 174.266 -1.829 1
1 604 . 20 1 1 A 49 49 TYR CA C 91 56.490 56.567 -0.077 1
1 605 . 20 1 1 A 49 49 TYR CB C 91 41.602 40.297 1.305 1
1 610 . 20 1 1 A 49 49 TYR N N 91 129.351 128.829 0.522 1
1 611 . 20 1 1 A 50 50 LYS H H 92 7.805 8.416 -0.611 1
1 612 . 20 1 1 A 50 50 LYS HA H 92 4.450 4.842 -0.392 1
1 621 . 20 1 1 A 50 50 LYS C C 92 173.949 175.939 -1.990 1
1 622 . 20 1 1 A 50 50 LYS CA C 92 55.264 54.972 0.292 1
1 623 . 20 1 1 A 50 50 LYS CB C 92 32.484 33.484 -1.000 1
1 627 . 20 1 1 A 50 50 LYS N N 92 127.571 126.863 0.708 1
1 628 . 20 1 1 A 51 51 GLY H H 93 7.147 7.913 -0.766 1
1 629 . 20 1 1 A 51 51 GLY HA2 H 93 3.810 3.892 -0.082 1
1 630 . 20 1 1 A 51 51 GLY HA3 H 93 3.609 4.048 -0.439 1
1 631 . 20 1 1 A 51 51 GLY C C 93 170.582 171.771 -1.189 1
1 632 . 20 1 1 A 51 51 GLY CA C 93 43.645 44.720 -1.075 1
1 633 . 20 1 1 A 51 51 GLY N N 93 111.723 109.883 1.840 1
1 634 . 20 1 1 A 52 52 ALA H H 94 8.185 8.284 -0.099 1
1 635 . 20 1 1 A 52 52 ALA HA H 94 4.273 4.383 -0.110 1
1 639 . 20 1 1 A 52 52 ALA C C 94 178.775 177.004 1.771 1
1 640 . 20 1 1 A 52 52 ALA CA C 94 52.381 52.159 0.222 1
1 641 . 20 1 1 A 52 52 ALA CB C 94 18.392 18.732 -0.340 1
1 642 . 20 1 1 A 52 52 ALA N N 94 119.165 122.767 -3.602 1
1 643 . 20 1 1 A 53 53 VAL H H 95 8.967 8.661 0.306 1
1 644 . 20 1 1 A 53 53 VAL HA H 95 4.200 4.494 -0.294 1
1 652 . 20 1 1 A 53 53 VAL C C 95 174.416 175.022 -0.606 1
1 653 . 20 1 1 A 53 53 VAL CA C 95 60.028 60.144 -0.116 1
1 654 . 20 1 1 A 53 53 VAL CB C 95 32.712 32.046 0.666 1
1 657 . 20 1 1 A 53 53 VAL N N 95 127.597 125.052 2.545 1
1 658 . 20 1 1 A 54 54 PRO HA H 96 4.609 4.692 -0.083 1
1 665 . 20 1 1 A 54 54 PRO C C 96 177.752 176.809 0.943 1
1 666 . 20 1 1 A 54 54 PRO CA C 96 62.907 62.797 0.110 1
1 667 . 20 1 1 A 54 54 PRO CB C 96 32.850 32.809 0.041 1
1 670 . 20 1 1 A 55 55 ASP H H 97 9.047 8.707 0.340 1
1 671 . 20 1 1 A 55 55 ASP HA H 97 4.459 4.401 0.058 1
1 674 . 20 1 1 A 55 55 ASP C C 97 176.541 178.289 -1.748 1
1 675 . 20 1 1 A 55 55 ASP CA C 97 56.434 56.353 0.081 1
1 676 . 20 1 1 A 55 55 ASP CB C 97 39.845 40.321 -0.476 1
1 677 . 20 1 1 A 55 55 ASP N N 97 122.223 122.276 -0.053 1
1 678 . 20 1 1 A 56 56 THR H H 98 7.196 7.859 -0.663 1
1 679 . 20 1 1 A 56 56 THR HA H 98 4.105 3.973 0.132 1
1 684 . 20 1 1 A 56 56 THR C C 98 174.743 175.195 -0.452 1
1 685 . 20 1 1 A 56 56 THR CA C 98 60.857 64.311 -3.454 1
1 686 . 20 1 1 A 56 56 THR CB C 98 69.227 69.007 0.220 1
1 688 . 20 1 1 A 56 56 THR N N 98 105.196 115.107 -9.911 1
1 689 . 20 1 1 A 57 57 PHE H H 99 7.766 7.604 0.162 1
1 690 . 20 1 1 A 57 57 PHE HA H 99 3.752 4.535 -0.783 1
1 698 . 20 1 1 A 57 57 PHE C C 99 172.629 174.128 -1.499 1
1 699 . 20 1 1 A 57 57 PHE CA C 99 60.570 57.108 3.462 1
1 700 . 20 1 1 A 57 57 PHE CB C 99 40.156 38.760 1.396 1
1 706 . 20 1 1 A 57 57 PHE N N 99 122.514 122.795 -0.281 1
1 707 . 20 1 1 A 58 58 LYS H H 100 6.468 7.811 -1.343 1
1 708 . 20 1 1 A 58 58 LYS HA H 100 4.409 4.798 -0.389 1
1 717 . 20 1 1 A 58 58 LYS C C 100 171.564 174.394 -2.830 1
1 718 . 20 1 1 A 58 58 LYS CA C 100 53.643 52.907 0.736 1
1 719 . 20 1 1 A 58 58 LYS CB C 100 32.382 34.905 -2.523 1
1 723 . 20 1 1 A 58 58 LYS N N 100 125.478 121.677 3.801 1
1 724 . 20 1 1 A 59 59 PRO HA H 101 3.708 4.005 -0.297 1
1 731 . 20 1 1 A 59 59 PRO C C 101 176.868 177.344 -0.476 1
1 732 . 20 1 1 A 59 59 PRO CA C 101 63.881 63.506 0.375 1
1 733 . 20 1 1 A 59 59 PRO CB C 101 31.168 31.175 -0.007 1
1 736 . 20 1 1 A 60 60 GLY H H 102 9.269 8.732 0.537 1
1 737 . 20 1 1 A 60 60 GLY HA2 H 102 4.299 3.885 0.414 1
1 738 . 20 1 1 A 60 60 GLY HA3 H 102 3.502 3.889 -0.387 1
1 739 . 20 1 1 A 60 60 GLY C C 102 174.023 174.467 -0.444 1
1 740 . 20 1 1 A 60 60 GLY CA C 102 45.005 45.029 -0.024 1
1 741 . 20 1 1 A 60 60 GLY N N 102 112.023 112.671 -0.648 1
1 742 . 20 1 1 A 61 61 VAL H H 103 7.321 7.606 -0.285 1
1 743 . 20 1 1 A 61 61 VAL HA H 103 4.279 4.107 0.172 1
1 751 . 20 1 1 A 61 61 VAL C C 103 174.073 175.536 -1.463 1
1 752 . 20 1 1 A 61 61 VAL CA C 103 61.277 61.936 -0.659 1
1 753 . 20 1 1 A 61 61 VAL CB C 103 32.882 32.559 0.323 1
1 756 . 20 1 1 A 61 61 VAL N N 103 118.571 121.726 -3.155 1
1 757 . 20 1 1 A 62 62 GLU H H 104 8.204 8.444 -0.240 1
1 758 . 20 1 1 A 62 62 GLU HA H 104 4.946 4.896 0.050 1
1 763 . 20 1 1 A 62 62 GLU C C 104 176.252 176.574 -0.322 1
1 764 . 20 1 1 A 62 62 GLU CA C 104 55.398 56.352 -0.954 1
1 765 . 20 1 1 A 62 62 GLU CB C 104 30.129 30.244 -0.115 1
1 767 . 20 1 1 A 62 62 GLU N N 104 123.214 126.437 -3.223 1
1 768 . 20 1 1 A 63 63 VAL H H 105 9.066 8.743 0.323 1
1 769 . 20 1 1 A 63 63 VAL HA H 105 5.297 4.914 0.383 1
1 777 . 20 1 1 A 63 63 VAL C C 105 173.913 174.510 -0.597 1
1 778 . 20 1 1 A 63 63 VAL CA C 105 58.284 60.113 -1.829 1
1 779 . 20 1 1 A 63 63 VAL CB C 105 36.265 33.946 2.319 1
1 782 . 20 1 1 A 63 63 VAL N N 105 115.526 119.538 -4.012 1
1 783 . 20 1 1 A 64 64 ILE H H 106 8.542 8.918 -0.376 1
1 784 . 20 1 1 A 64 64 ILE HA H 106 4.775 4.662 0.113 1
1 794 . 20 1 1 A 64 64 ILE C C 106 176.511 175.203 1.308 1
1 795 . 20 1 1 A 64 64 ILE CA C 106 60.804 60.096 0.708 1
1 796 . 20 1 1 A 64 64 ILE CB C 106 40.991 39.312 1.679 1
1 800 . 20 1 1 A 64 64 ILE N N 106 120.283 122.465 -2.182 1
1 801 . 20 1 1 A 65 65 ILE H H 107 8.944 8.792 0.152 1
1 802 . 20 1 1 A 65 65 ILE HA H 107 5.197 5.177 0.020 1
1 812 . 20 1 1 A 65 65 ILE C C 107 174.076 174.480 -0.404 1
1 813 . 20 1 1 A 65 65 ILE CA C 107 58.384 59.094 -0.710 1
1 814 . 20 1 1 A 65 65 ILE CB C 107 42.082 40.115 1.967 1
1 818 . 20 1 1 A 65 65 ILE N N 107 122.157 123.456 -1.299 1
1 819 . 20 1 1 A 66 66 GLU H H 108 7.762 8.591 -0.829 1
1 820 . 20 1 1 A 66 66 GLU HA H 108 5.801 5.440 0.361 1
1 825 . 20 1 1 A 66 66 GLU C C 108 176.789 176.440 0.349 1
1 826 . 20 1 1 A 66 66 GLU CA C 108 54.063 54.888 -0.825 1
1 827 . 20 1 1 A 66 66 GLU CB C 108 32.818 31.704 1.114 1
1 829 . 20 1 1 A 66 66 GLU N N 108 119.473 122.844 -3.371 1
1 830 . 20 1 1 A 67 67 GLY H H 109 9.064 8.259 0.805 1
1 831 . 20 1 1 A 67 67 GLY HA2 H 109 4.773 4.151 0.622 1
1 832 . 20 1 1 A 67 67 GLY HA3 H 109 3.948 4.257 -0.309 1
1 833 . 20 1 1 A 67 67 GLY C C 109 170.431 171.816 -1.385 1
1 834 . 20 1 1 A 67 67 GLY CA C 109 46.598 45.779 0.819 1
1 835 . 20 1 1 A 67 67 GLY N N 109 112.366 110.314 2.052 1
1 836 . 20 1 1 A 68 68 GLY H H 110 7.116 7.542 -0.426 1
1 837 . 20 1 1 A 68 68 GLY HA2 H 110 3.949 3.857 0.092 1
1 838 . 20 1 1 A 68 68 GLY HA3 H 110 3.732 4.021 -0.289 1
1 839 . 20 1 1 A 68 68 GLY C C 110 170.827 171.560 -0.733 1
1 840 . 20 1 1 A 68 68 GLY CA C 110 45.228 45.107 0.121 1
1 841 . 20 1 1 A 68 68 GLY N N 110 109.402 108.850 0.552 1
1 842 . 20 1 1 A 69 69 LEU H H 111 8.542 8.416 0.126 1
1 843 . 20 1 1 A 69 69 LEU HA H 111 4.546 4.687 -0.141 1
1 853 . 20 1 1 A 69 69 LEU C C 111 175.890 175.072 0.818 1
1 854 . 20 1 1 A 69 69 LEU CA C 111 54.400 54.093 0.307 1
1 855 . 20 1 1 A 69 69 LEU CB C 111 43.814 43.595 0.219 1
1 859 . 20 1 1 A 69 69 LEU N N 111 122.808 123.982 -1.174 1
1 860 . 20 1 1 A 70 70 ALA H H 112 8.889 8.475 0.414 1
1 861 . 20 1 1 A 70 70 ALA HA H 112 4.639 4.573 0.066 1
1 865 . 20 1 1 A 70 70 ALA C C 112 174.900 176.447 -1.547 1
1 866 . 20 1 1 A 70 70 ALA CA C 112 49.951 50.566 -0.615 1
1 867 . 20 1 1 A 70 70 ALA CB C 112 18.111 18.467 -0.356 1
1 868 . 20 1 1 A 70 70 ALA N N 112 130.675 130.279 0.396 1
1 869 . 20 1 1 A 71 71 PRO HA H 113 4.338 4.318 0.020 1
1 876 . 20 1 1 A 71 71 PRO C C 113 178.206 177.295 0.911 1
1 877 . 20 1 1 A 71 71 PRO CA C 113 64.055 63.480 0.575 1
1 878 . 20 1 1 A 71 71 PRO CB C 113 31.754 30.848 0.906 1
1 881 . 20 1 1 A 72 72 GLY H H 114 8.748 8.168 0.580 1
1 882 . 20 1 1 A 72 72 GLY HA2 H 114 4.165 3.986 0.179 1
1 883 . 20 1 1 A 72 72 GLY HA3 H 114 3.775 3.990 -0.215 1
1 884 . 20 1 1 A 72 72 GLY C C 114 174.200 174.709 -0.509 1
1 885 . 20 1 1 A 72 72 GLY CA C 114 45.602 45.351 0.251 1
1 886 . 20 1 1 A 72 72 GLY N N 114 111.945 112.659 -0.714 1
1 887 . 20 1 1 A 73 73 GLU H H 115 7.931 7.694 0.237 1
1 888 . 20 1 1 A 73 73 GLU HA H 115 4.581 4.471 0.110 1
1 893 . 20 1 1 A 73 73 GLU C C 115 175.843 176.027 -0.184 1
1 894 . 20 1 1 A 73 73 GLU CA C 115 55.732 55.367 0.365 1
1 895 . 20 1 1 A 73 73 GLU CB C 115 31.128 31.064 0.064 1
1 897 . 20 1 1 A 73 73 GLU N N 115 118.591 120.592 -2.001 1
1 898 . 20 1 1 A 74 74 ASP H H 116 8.467 9.029 -0.562 1
1 899 . 20 1 1 A 74 74 ASP HA H 116 4.823 4.568 0.255 1
1 902 . 20 1 1 A 74 74 ASP C C 116 175.848 175.901 -0.053 1
1 903 . 20 1 1 A 74 74 ASP CA C 116 53.831 55.533 -1.702 1
1 904 . 20 1 1 A 74 74 ASP CB C 116 41.052 41.157 -0.105 1
1 905 . 20 1 1 A 74 74 ASP N N 116 118.021 124.944 -6.923 1
1 906 . 20 1 1 A 75 75 THR H H 117 7.301 7.730 -0.429 1
1 907 . 20 1 1 A 75 75 THR HA H 117 4.620 4.903 -0.283 1
1 912 . 20 1 1 A 75 75 THR C C 117 172.120 173.765 -1.645 1
1 913 . 20 1 1 A 75 75 THR CA C 117 61.907 61.449 0.458 1
1 914 . 20 1 1 A 75 75 THR CB C 117 71.398 69.915 1.483 1
1 916 . 20 1 1 A 75 75 THR N N 117 114.820 113.895 0.925 1
1 917 . 20 1 1 A 76 76 PHE H H 118 9.657 9.222 0.435 1
1 918 . 20 1 1 A 76 76 PHE HA H 118 4.290 4.605 -0.315 1
1 926 . 20 1 1 A 76 76 PHE C C 118 174.118 173.835 0.283 1
1 927 . 20 1 1 A 76 76 PHE CA C 118 58.185 57.216 0.969 1
1 928 . 20 1 1 A 76 76 PHE CB C 118 40.718 39.134 1.584 1
1 934 . 20 1 1 A 76 76 PHE N N 118 130.378 129.518 0.860 1
1 935 . 20 1 1 A 77 77 LYS H H 119 8.364 8.628 -0.264 1
1 936 . 20 1 1 A 77 77 LYS HA H 119 4.853 4.657 0.196 1
1 945 . 20 1 1 A 77 77 LYS C C 119 175.278 175.114 0.164 1
1 946 . 20 1 1 A 77 77 LYS CA C 119 55.282 55.522 -0.240 1
1 947 . 20 1 1 A 77 77 LYS CB C 119 31.319 32.010 -0.691 1
1 951 . 20 1 1 A 77 77 LYS N N 119 129.777 127.209 2.568 1
1 952 . 20 1 1 A 78 78 ALA H H 120 8.837 8.564 0.273 1
1 953 . 20 1 1 A 78 78 ALA HA H 120 4.828 4.525 0.303 1
1 957 . 20 1 1 A 78 78 ALA C C 120 176.015 177.610 -1.595 1
1 958 . 20 1 1 A 78 78 ALA CA C 120 51.435 52.252 -0.817 1
1 959 . 20 1 1 A 78 78 ALA CB C 120 20.006 19.367 0.639 1
1 960 . 20 1 1 A 78 78 ALA N N 120 129.771 128.760 1.011 1
1 961 . 20 1 1 A 79 79 ARG H H 121 9.846 8.703 1.143 1
1 962 . 20 1 1 A 79 79 ARG HA H 121 4.582 4.141 0.441 1
1 970 . 20 1 1 A 79 79 ARG C C 121 176.651 175.763 0.888 1
1 971 . 20 1 1 A 79 79 ARG CA C 121 57.420 58.468 -1.048 1
1 972 . 20 1 1 A 79 79 ARG CB C 121 31.773 30.878 0.895 1
1 975 . 20 1 1 A 79 79 ARG N N 121 125.113 124.934 0.179 1
1 977 . 20 1 1 A 80 80 THR H H 122 7.938 7.544 0.394 1
1 978 . 20 1 1 A 80 80 THR HA H 122 4.921 5.259 -0.338 1
1 983 . 20 1 1 A 80 80 THR C C 122 172.002 172.298 -0.296 1
1 984 . 20 1 1 A 80 80 THR CA C 122 60.475 61.456 -0.981 1
1 985 . 20 1 1 A 80 80 THR CB C 122 72.093 72.112 -0.019 1
1 987 . 20 1 1 A 80 80 THR N N 122 109.595 111.823 -2.228 1
1 988 . 20 1 1 A 81 81 LEU H H 123 8.196 8.955 -0.759 1
1 989 . 20 1 1 A 81 81 LEU HA H 123 4.701 5.069 -0.368 1
1 999 . 20 1 1 A 81 81 LEU C C 123 173.804 174.456 -0.652 1
1 1000 . 20 1 1 A 81 81 LEU CA C 123 55.357 53.321 2.036 1
1 1001 . 20 1 1 A 81 81 LEU CB C 123 44.009 44.439 -0.430 1
1 1005 . 20 1 1 A 81 81 LEU N N 123 123.214 128.945 -5.731 1
1 1006 . 20 1 1 A 82 82 MET H H 124 8.700 8.525 0.175 1
1 1007 . 20 1 1 A 82 82 MET HA H 124 4.841 5.249 -0.408 1
1 1015 . 20 1 1 A 82 82 MET C C 124 175.097 174.468 0.629 1
1 1016 . 20 1 1 A 82 82 MET CA C 124 54.190 54.119 0.071 1
1 1017 . 20 1 1 A 82 82 MET CB C 124 36.191 37.867 -1.676 1
1 1020 . 20 1 1 A 82 82 MET N N 124 124.452 125.299 -0.847 1
1 1021 . 20 1 1 A 83 83 THR H H 125 8.671 8.328 0.343 1
1 1022 . 20 1 1 A 83 83 THR HA H 125 4.934 5.062 -0.128 1
1 1027 . 20 1 1 A 83 83 THR C C 125 174.094 175.262 -1.168 1
1 1028 . 20 1 1 A 83 83 THR CA C 125 60.253 59.429 0.824 1
1 1029 . 20 1 1 A 83 83 THR CB C 125 69.831 71.683 -1.852 1
1 1031 . 20 1 1 A 83 83 THR N N 125 113.070 110.232 2.838 1
1 1032 . 20 1 1 A 84 84 LYS H H 126 8.419 8.577 -0.158 1
1 1033 . 20 1 1 A 84 84 LYS HA H 126 4.446 4.215 0.231 1
1 1042 . 20 1 1 A 84 84 LYS C C 126 175.461 177.278 -1.817 1
1 1043 . 20 1 1 A 84 84 LYS CA C 126 55.500 58.351 -2.851 1
1 1044 . 20 1 1 A 84 84 LYS CB C 126 33.736 32.697 1.039 1
1 1048 . 20 1 1 A 84 84 LYS N N 126 123.139 121.440 1.699 1
1 1049 . 20 1 1 A 85 85 CYS H H 127 8.543 7.763 0.780 1
1 1050 . 20 1 1 A 85 85 CYS HA H 127 4.795 4.762 0.033 1
1 1053 . 20 1 1 A 85 85 CYS C C 127 172.809 172.501 0.308 1
1 1054 . 20 1 1 A 85 85 CYS CA C 127 56.423 55.768 0.655 1
1 1055 . 20 1 1 A 85 85 CYS CB C 127 27.739 28.725 -0.986 1
1 1056 . 20 1 1 A 85 85 CYS N N 127 123.709 118.511 5.198 1
1 1057 . 20 1 1 A 86 86 PRO HA H 128 4.439 4.807 -0.368 1
1 1064 . 20 1 1 A 86 86 PRO C C 128 176.560 176.542 0.018 1
1 1065 . 20 1 1 A 86 86 PRO CA C 128 63.292 62.496 0.796 1
1 1066 . 20 1 1 A 86 86 PRO CB C 128 32.165 32.701 -0.536 1
1 1069 . 20 1 1 A 87 87 LEU H H 129 8.274 8.418 -0.144 1
1 1070 . 20 1 1 A 87 87 LEU HA H 129 4.256 4.203 0.053 1
1 1080 . 20 1 1 A 87 87 LEU C C 129 177.141 175.574 1.567 1
1 1081 . 20 1 1 A 87 87 LEU CA C 129 55.281 56.048 -0.767 1
1 1082 . 20 1 1 A 87 87 LEU CB C 129 42.299 41.879 0.420 1
1 1086 . 20 1 1 A 87 87 LEU N N 129 122.188 123.636 -1.448 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 85 1.077 1
2 1 1 1 "RMS(OBS, PRED)" CA 86 1.060 1
3 1 1 1 "RMS(OBS, PRED)" CB 77 1.275 1
4 1 1 1 "RMS(OBS, PRED)" H 79 0.524 1
5 1 1 1 "RMS(OBS, PRED)" HA 95 0.291 1
6 1 1 1 "RMS(OBS, PRED)" N 79 2.873 1
7 1 2 1 "RMS(OBS, PRED)" C 85 1.192 1
8 1 2 1 "RMS(OBS, PRED)" CA 86 1.137 1
9 1 2 1 "RMS(OBS, PRED)" CB 77 1.195 1
10 1 2 1 "RMS(OBS, PRED)" H 79 0.538 1
11 1 2 1 "RMS(OBS, PRED)" HA 95 0.277 1
12 1 2 1 "RMS(OBS, PRED)" N 79 2.969 1
13 1 3 1 "RMS(OBS, PRED)" C 85 1.103 1
14 1 3 1 "RMS(OBS, PRED)" CA 86 0.990 1
15 1 3 1 "RMS(OBS, PRED)" CB 77 1.406 1
16 1 3 1 "RMS(OBS, PRED)" H 79 0.513 1
17 1 3 1 "RMS(OBS, PRED)" HA 95 0.287 1
18 1 3 1 "RMS(OBS, PRED)" N 79 2.686 1
19 1 4 1 "RMS(OBS, PRED)" C 85 1.114 1
20 1 4 1 "RMS(OBS, PRED)" CA 86 0.931 1
21 1 4 1 "RMS(OBS, PRED)" CB 77 1.340 1
22 1 4 1 "RMS(OBS, PRED)" H 79 0.521 1
23 1 4 1 "RMS(OBS, PRED)" HA 95 0.268 1
24 1 4 1 "RMS(OBS, PRED)" N 79 2.963 1
25 1 5 1 "RMS(OBS, PRED)" C 85 1.174 1
26 1 5 1 "RMS(OBS, PRED)" CA 86 1.162 1
27 1 5 1 "RMS(OBS, PRED)" CB 77 1.197 1
28 1 5 1 "RMS(OBS, PRED)" H 79 0.564 1
29 1 5 1 "RMS(OBS, PRED)" HA 95 0.300 1
30 1 5 1 "RMS(OBS, PRED)" N 79 2.677 1
31 1 6 1 "RMS(OBS, PRED)" C 85 1.068 1
32 1 6 1 "RMS(OBS, PRED)" CA 86 0.944 1
33 1 6 1 "RMS(OBS, PRED)" CB 77 1.292 1
34 1 6 1 "RMS(OBS, PRED)" H 79 0.506 1
35 1 6 1 "RMS(OBS, PRED)" HA 95 0.303 1
36 1 6 1 "RMS(OBS, PRED)" N 79 2.900 1
37 1 7 1 "RMS(OBS, PRED)" C 85 1.146 1
38 1 7 1 "RMS(OBS, PRED)" CA 86 1.019 1
39 1 7 1 "RMS(OBS, PRED)" CB 77 1.056 1
40 1 7 1 "RMS(OBS, PRED)" H 79 0.502 1
41 1 7 1 "RMS(OBS, PRED)" HA 95 0.257 1
42 1 7 1 "RMS(OBS, PRED)" N 79 2.739 1
43 1 8 1 "RMS(OBS, PRED)" C 85 1.107 1
44 1 8 1 "RMS(OBS, PRED)" CA 86 1.066 1
45 1 8 1 "RMS(OBS, PRED)" CB 77 1.105 1
46 1 8 1 "RMS(OBS, PRED)" H 79 0.506 1
47 1 8 1 "RMS(OBS, PRED)" HA 95 0.244 1
48 1 8 1 "RMS(OBS, PRED)" N 79 2.686 1
49 1 9 1 "RMS(OBS, PRED)" C 85 1.106 1
50 1 9 1 "RMS(OBS, PRED)" CA 86 1.144 1
51 1 9 1 "RMS(OBS, PRED)" CB 77 1.269 1
52 1 9 1 "RMS(OBS, PRED)" H 79 0.533 1
53 1 9 1 "RMS(OBS, PRED)" HA 95 0.281 1
54 1 9 1 "RMS(OBS, PRED)" N 79 2.748 1
55 1 10 1 "RMS(OBS, PRED)" C 85 1.143 1
56 1 10 1 "RMS(OBS, PRED)" CA 86 0.983 1
57 1 10 1 "RMS(OBS, PRED)" CB 77 1.167 1
58 1 10 1 "RMS(OBS, PRED)" H 79 0.505 1
59 1 10 1 "RMS(OBS, PRED)" HA 95 0.288 1
60 1 10 1 "RMS(OBS, PRED)" N 79 2.983 1
61 1 11 1 "RMS(OBS, PRED)" C 85 1.078 1
62 1 11 1 "RMS(OBS, PRED)" CA 86 1.028 1
63 1 11 1 "RMS(OBS, PRED)" CB 77 1.302 1
64 1 11 1 "RMS(OBS, PRED)" H 79 0.529 1
65 1 11 1 "RMS(OBS, PRED)" HA 95 0.283 1
66 1 11 1 "RMS(OBS, PRED)" N 79 2.680 1
67 1 12 1 "RMS(OBS, PRED)" C 85 1.177 1
68 1 12 1 "RMS(OBS, PRED)" CA 86 1.096 1
69 1 12 1 "RMS(OBS, PRED)" CB 77 1.202 1
70 1 12 1 "RMS(OBS, PRED)" H 79 0.552 1
71 1 12 1 "RMS(OBS, PRED)" HA 95 0.296 1
72 1 12 1 "RMS(OBS, PRED)" N 79 2.736 1
73 1 13 1 "RMS(OBS, PRED)" C 85 1.072 1
74 1 13 1 "RMS(OBS, PRED)" CA 86 1.155 1
75 1 13 1 "RMS(OBS, PRED)" CB 77 1.337 1
76 1 13 1 "RMS(OBS, PRED)" H 79 0.528 1
77 1 13 1 "RMS(OBS, PRED)" HA 95 0.304 1
78 1 13 1 "RMS(OBS, PRED)" N 79 2.933 1
79 1 14 1 "RMS(OBS, PRED)" C 85 1.169 1
80 1 14 1 "RMS(OBS, PRED)" CA 86 1.106 1
81 1 14 1 "RMS(OBS, PRED)" CB 77 1.318 1
82 1 14 1 "RMS(OBS, PRED)" H 79 0.543 1
83 1 14 1 "RMS(OBS, PRED)" HA 95 0.288 1
84 1 14 1 "RMS(OBS, PRED)" N 79 3.484 1
85 1 15 1 "RMS(OBS, PRED)" C 85 1.139 1
86 1 15 1 "RMS(OBS, PRED)" CA 86 1.109 1
87 1 15 1 "RMS(OBS, PRED)" CB 77 1.363 1
88 1 15 1 "RMS(OBS, PRED)" H 79 0.527 1
89 1 15 1 "RMS(OBS, PRED)" HA 95 0.313 1
90 1 15 1 "RMS(OBS, PRED)" N 79 2.889 1
91 1 16 1 "RMS(OBS, PRED)" C 85 1.099 1
92 1 16 1 "RMS(OBS, PRED)" CA 86 1.165 1
93 1 16 1 "RMS(OBS, PRED)" CB 77 1.288 1
94 1 16 1 "RMS(OBS, PRED)" H 79 0.543 1
95 1 16 1 "RMS(OBS, PRED)" HA 95 0.301 1
96 1 16 1 "RMS(OBS, PRED)" N 79 2.787 1
97 1 17 1 "RMS(OBS, PRED)" C 85 1.140 1
98 1 17 1 "RMS(OBS, PRED)" CA 86 1.000 1
99 1 17 1 "RMS(OBS, PRED)" CB 77 1.318 1
100 1 17 1 "RMS(OBS, PRED)" H 79 0.518 1
101 1 17 1 "RMS(OBS, PRED)" HA 95 0.265 1
102 1 17 1 "RMS(OBS, PRED)" N 79 2.791 1
103 1 18 1 "RMS(OBS, PRED)" C 85 1.117 1
104 1 18 1 "RMS(OBS, PRED)" CA 86 1.100 1
105 1 18 1 "RMS(OBS, PRED)" CB 77 1.225 1
106 1 18 1 "RMS(OBS, PRED)" H 79 0.466 1
107 1 18 1 "RMS(OBS, PRED)" HA 95 0.276 1
108 1 18 1 "RMS(OBS, PRED)" N 79 2.726 1
109 1 19 1 "RMS(OBS, PRED)" C 85 1.093 1
110 1 19 1 "RMS(OBS, PRED)" CA 86 0.937 1
111 1 19 1 "RMS(OBS, PRED)" CB 77 1.237 1
112 1 19 1 "RMS(OBS, PRED)" H 79 0.556 1
113 1 19 1 "RMS(OBS, PRED)" HA 95 0.266 1
114 1 19 1 "RMS(OBS, PRED)" N 79 2.917 1
115 1 20 1 "RMS(OBS, PRED)" C 85 1.092 1
116 1 20 1 "RMS(OBS, PRED)" CA 86 1.069 1
117 1 20 1 "RMS(OBS, PRED)" CB 77 1.318 1
118 1 20 1 "RMS(OBS, PRED)" H 79 0.503 1
119 1 20 1 "RMS(OBS, PRED)" HA 95 0.305 1
120 1 20 1 "RMS(OBS, PRED)" N 79 3.053 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 ALA HA H 44 4.214 4.561 -0.347 2
1 5 . 1 1 A 2 2 ALA C C 44 173.758 176.756 -2.998 2
1 6 . 1 1 A 2 2 ALA CA C 44 51.848 51.778 0.070 2
1 7 . 1 1 A 2 2 ALA CB C 44 19.505 19.956 -0.451 2
1 8 . 1 1 A 3 3 THR H H 45 8.709 8.269 0.440 2
1 9 . 1 1 A 3 3 THR HA H 45 4.694 4.616 0.078 2
1 14 . 1 1 A 3 3 THR CA C 45 60.191 60.154 0.037 2
1 15 . 1 1 A 3 3 THR CB C 45 69.815 69.197 0.618 2
1 17 . 1 1 A 3 3 THR N N 45 116.649 114.385 2.264 2
1 18 . 1 1 A 4 4 PRO HA H 46 4.412 4.585 -0.173 2
1 25 . 1 1 A 4 4 PRO C C 46 177.212 176.407 0.805 2
1 26 . 1 1 A 4 4 PRO CA C 46 63.698 62.822 0.876 2
1 27 . 1 1 A 4 4 PRO CB C 46 32.117 31.676 0.441 2
1 30 . 1 1 A 5 5 GLN H H 47 8.463 8.394 0.069 2
1 31 . 1 1 A 5 5 GLN HA H 47 4.260 4.354 -0.094 2
1 38 . 1 1 A 5 5 GLN C C 47 176.073 174.996 1.077 2
1 39 . 1 1 A 5 5 GLN CA C 47 56.328 55.676 0.652 2
1 40 . 1 1 A 5 5 GLN CB C 47 29.286 28.750 0.536 2
1 43 . 1 1 A 5 5 GLN N N 47 119.945 121.140 -1.195 2
1 45 . 1 1 A 6 6 ASP H H 48 8.276 8.394 -0.118 2
1 46 . 1 1 A 6 6 ASP HA H 48 4.558 4.708 -0.150 2
1 49 . 1 1 A 6 6 ASP C C 48 176.454 176.466 -0.012 2
1 50 . 1 1 A 6 6 ASP CA C 48 54.538 54.102 0.436 2
1 51 . 1 1 A 6 6 ASP CB C 48 40.873 41.440 -0.567 2
1 52 . 1 1 A 6 6 ASP N N 48 120.974 123.561 -2.587 2
1 53 . 1 1 A 7 7 LYS H H 49 8.218 8.590 -0.372 2
1 54 . 1 1 A 7 7 LYS HA H 49 4.264 4.300 -0.036 2
1 63 . 1 1 A 7 7 LYS C C 49 176.665 177.491 -0.826 2
1 64 . 1 1 A 7 7 LYS CA C 49 56.655 57.837 -1.182 2
1 65 . 1 1 A 7 7 LYS CB C 49 32.837 32.679 0.158 2
1 69 . 1 1 A 7 7 LYS N N 49 120.950 122.269 -1.319 2
1 70 . 1 1 A 8 8 LEU H H 50 8.010 7.711 0.299 2
1 71 . 1 1 A 8 8 LEU HA H 50 4.279 4.388 -0.109 2
1 81 . 1 1 A 8 8 LEU C C 50 177.110 176.758 0.352 2
1 82 . 1 1 A 8 8 LEU CA C 50 55.353 55.257 0.096 2
1 83 . 1 1 A 8 8 LEU CB C 50 42.302 41.461 0.841 2
1 87 . 1 1 A 8 8 LEU N N 50 121.105 118.555 2.550 2
1 88 . 1 1 A 9 9 HIS H H 51 8.411 7.740 0.671 2
1 89 . 1 1 A 9 9 HIS HA H 51 4.780 4.660 0.120 2
1 92 . 1 1 A 9 9 HIS C C 51 174.285 174.435 -0.150 2
1 93 . 1 1 A 9 9 HIS CA C 51 55.320 55.807 -0.487 2
1 94 . 1 1 A 9 9 HIS CB C 51 28.827 29.819 -0.992 2
1 95 . 1 1 A 9 9 HIS N N 51 119.035 118.456 0.579 2
1 96 . 1 1 A 10 10 THR H H 52 8.178 8.280 -0.102 2
1 97 . 1 1 A 10 10 THR HA H 52 4.488 4.705 -0.217 2
1 102 . 1 1 A 10 10 THR C C 52 173.766 173.725 0.041 2
1 103 . 1 1 A 10 10 THR CA C 52 62.392 61.809 0.583 2
1 104 . 1 1 A 10 10 THR CB C 52 70.104 70.387 -0.283 2
1 106 . 1 1 A 10 10 THR N N 52 117.285 116.391 0.894 2
1 107 . 1 1 A 11 11 VAL H H 53 9.088 8.930 0.158 2
1 108 . 1 1 A 11 11 VAL HA H 53 4.464 4.603 -0.139 2
1 116 . 1 1 A 11 11 VAL C C 53 174.048 174.560 -0.512 2
1 117 . 1 1 A 11 11 VAL CA C 53 61.359 61.435 -0.076 2
1 118 . 1 1 A 11 11 VAL CB C 53 34.602 33.056 1.546 2
1 121 . 1 1 A 11 11 VAL N N 53 123.969 126.531 -2.562 2
1 122 . 1 1 A 12 12 ARG H H 54 8.386 9.004 -0.618 2
1 123 . 1 1 A 12 12 ARG HA H 54 5.495 5.090 0.405 2
1 131 . 1 1 A 12 12 ARG C C 54 175.364 174.461 0.903 2
1 132 . 1 1 A 12 12 ARG CA C 54 54.401 54.779 -0.378 2
1 133 . 1 1 A 12 12 ARG CB C 54 32.753 32.471 0.282 2
1 136 . 1 1 A 12 12 ARG N N 54 125.294 128.507 -3.213 2
1 138 . 1 1 A 13 13 LEU H H 55 8.828 8.688 0.140 2
1 139 . 1 1 A 13 13 LEU HA H 55 4.726 4.993 -0.267 2
1 149 . 1 1 A 13 13 LEU C C 55 174.223 174.490 -0.267 2
1 150 . 1 1 A 13 13 LEU CA C 55 53.309 53.061 0.248 2
1 151 . 1 1 A 13 13 LEU CB C 55 45.884 45.426 0.458 2
1 155 . 1 1 A 13 13 LEU N N 55 124.874 127.578 -2.704 2
1 156 . 1 1 A 14 14 PHE H H 56 8.195 8.943 -0.748 2
1 157 . 1 1 A 14 14 PHE HA H 56 5.576 5.366 0.210 2
1 165 . 1 1 A 14 14 PHE C C 56 175.266 175.767 -0.501 2
1 166 . 1 1 A 14 14 PHE CA C 56 55.009 55.677 -0.668 2
1 167 . 1 1 A 14 14 PHE CB C 56 42.340 41.967 0.373 2
1 173 . 1 1 A 14 14 PHE N N 56 118.334 123.537 -5.203 2
1 174 . 1 1 A 15 15 GLY H H 57 8.134 8.190 -0.056 2
1 175 . 1 1 A 15 15 GLY HA2 H 57 4.229 4.259 -0.030 2
1 176 . 1 1 A 15 15 GLY HA3 H 57 4.004 4.274 -0.270 2
1 177 . 1 1 A 15 15 GLY C C 57 171.108 171.683 -0.575 2
1 178 . 1 1 A 15 15 GLY CA C 57 45.857 45.993 -0.136 2
1 179 . 1 1 A 15 15 GLY N N 57 109.159 109.535 -0.376 2
1 180 . 1 1 A 16 16 THR H H 58 8.595 8.443 0.152 2
1 181 . 1 1 A 16 16 THR HA H 58 5.114 5.123 -0.009 2
1 186 . 1 1 A 16 16 THR C C 58 174.484 173.760 0.724 2
1 187 . 1 1 A 16 16 THR CA C 58 60.591 61.348 -0.757 2
1 188 . 1 1 A 16 16 THR CB C 58 71.164 71.589 -0.425 2
1 190 . 1 1 A 16 16 THR N N 58 113.580 115.534 -1.954 2
1 191 . 1 1 A 17 17 VAL H H 59 8.053 8.614 -0.561 2
1 192 . 1 1 A 17 17 VAL HA H 59 3.876 4.215 -0.339 2
1 200 . 1 1 A 17 17 VAL C C 59 176.315 175.894 0.421 2
1 201 . 1 1 A 17 17 VAL CA C 59 63.549 62.933 0.616 2
1 202 . 1 1 A 17 17 VAL CB C 59 32.779 31.569 1.210 2
1 205 . 1 1 A 17 17 VAL N N 59 124.410 126.871 -2.461 2
1 206 . 1 1 A 18 18 ALA H H 60 8.931 8.570 0.361 2
1 207 . 1 1 A 18 18 ALA HA H 60 4.354 4.418 -0.064 2
1 211 . 1 1 A 18 18 ALA C C 60 177.293 178.119 -0.826 2
1 212 . 1 1 A 18 18 ALA CA C 60 52.138 51.935 0.203 2
1 213 . 1 1 A 18 18 ALA CB C 60 19.782 19.627 0.155 2
1 214 . 1 1 A 18 18 ALA N N 60 133.912 130.263 3.649 2
1 215 . 1 1 A 19 19 ALA H H 61 8.548 8.686 -0.138 2
1 216 . 1 1 A 19 19 ALA HA H 61 4.105 4.194 -0.089 2
1 220 . 1 1 A 19 19 ALA C C 61 178.793 177.025 1.768 2
1 221 . 1 1 A 19 19 ALA CA C 61 54.218 53.809 0.409 2
1 222 . 1 1 A 19 19 ALA CB C 61 18.969 19.178 -0.209 2
1 223 . 1 1 A 19 19 ALA N N 61 121.667 123.281 -1.614 2
1 224 . 1 1 A 20 20 ASP H H 62 8.117 7.978 0.139 2
1 225 . 1 1 A 20 20 ASP HA H 62 4.602 4.658 -0.056 2
1 228 . 1 1 A 20 20 ASP C C 62 177.210 176.870 0.340 2
1 229 . 1 1 A 20 20 ASP CA C 62 54.575 54.507 0.068 2
1 230 . 1 1 A 20 20 ASP CB C 62 41.188 41.067 0.121 2
1 231 . 1 1 A 20 20 ASP N N 62 115.534 118.093 -2.559 2
1 232 . 1 1 A 21 21 GLY H H 63 8.996 8.764 0.232 2
1 233 . 1 1 A 21 21 GLY HA2 H 63 4.311 4.103 0.208 2
1 234 . 1 1 A 21 21 GLY HA3 H 63 3.888 4.244 -0.356 2
1 235 . 1 1 A 21 21 GLY C C 63 173.384 174.276 -0.892 2
1 236 . 1 1 A 21 21 GLY CA C 63 46.124 45.960 0.164 2
1 237 . 1 1 A 21 21 GLY N N 63 112.754 112.993 -0.239 2
1 238 . 1 1 A 22 22 LEU H H 64 7.380 7.864 -0.484 2
1 239 . 1 1 A 22 22 LEU HA H 64 4.964 5.058 -0.094 2
1 249 . 1 1 A 22 22 LEU C C 64 178.011 175.084 2.927 2
1 250 . 1 1 A 22 22 LEU CA C 64 57.159 54.431 2.728 2
1 251 . 1 1 A 22 22 LEU CB C 64 42.160 43.349 -1.188 2
1 255 . 1 1 A 22 22 LEU N N 64 123.991 122.525 1.466 2
1 256 . 1 1 A 23 23 THR H H 65 9.752 9.244 0.508 2
1 257 . 1 1 A 23 23 THR HA H 65 4.755 4.975 -0.220 2
1 262 . 1 1 A 23 23 THR C C 65 173.249 173.637 -0.388 2
1 263 . 1 1 A 23 23 THR CA C 65 61.231 61.703 -0.472 2
1 264 . 1 1 A 23 23 THR CB C 65 71.995 71.085 0.910 2
1 266 . 1 1 A 23 23 THR N N 65 124.024 122.641 1.383 2
1 267 . 1 1 A 24 24 MET H H 66 8.881 8.621 0.260 2
1 268 . 1 1 A 24 24 MET HA H 66 5.019 4.872 0.147 2
1 276 . 1 1 A 24 24 MET C C 66 176.750 176.317 0.433 2
1 277 . 1 1 A 24 24 MET CA C 66 54.452 54.335 0.117 2
1 278 . 1 1 A 24 24 MET CB C 66 31.809 33.280 -1.471 2
1 281 . 1 1 A 24 24 MET N N 66 125.215 125.897 -0.682 2
1 282 . 1 1 A 25 25 LEU H H 67 8.037 8.325 -0.288 2
1 283 . 1 1 A 25 25 LEU HA H 67 4.253 4.330 -0.077 2
1 293 . 1 1 A 25 25 LEU C C 67 176.617 176.355 0.262 2
1 294 . 1 1 A 25 25 LEU CA C 67 55.259 55.037 0.222 2
1 295 . 1 1 A 25 25 LEU CB C 67 41.019 41.977 -0.958 2
1 299 . 1 1 A 25 25 LEU N N 67 123.282 123.033 0.249 2
1 300 . 1 1 A 26 26 ASP H H 68 8.419 8.778 -0.359 2
1 301 . 1 1 A 26 26 ASP HA H 68 4.695 4.550 0.145 2
1 304 . 1 1 A 26 26 ASP C C 68 176.728 177.070 -0.342 2
1 305 . 1 1 A 26 26 ASP CA C 68 53.907 55.227 -1.320 2
1 306 . 1 1 A 26 26 ASP CB C 68 41.338 40.639 0.699 2
1 307 . 1 1 A 26 26 ASP N N 68 120.434 123.882 -3.449 2
1 308 . 1 1 A 27 27 GLY H H 69 8.607 8.795 -0.188 2
1 309 . 1 1 A 27 27 GLY HA2 H 69 4.055 3.904 0.151 2
1 310 . 1 1 A 27 27 GLY HA3 H 69 3.665 3.906 -0.241 2
1 311 . 1 1 A 27 27 GLY C C 69 173.151 173.532 -0.381 2
1 312 . 1 1 A 27 27 GLY CA C 69 45.895 45.874 0.021 2
1 313 . 1 1 A 27 27 GLY N N 69 112.545 111.736 0.809 2
1 314 . 1 1 A 28 28 ALA H H 70 7.634 7.498 0.136 2
1 315 . 1 1 A 28 28 ALA HA H 70 4.575 4.675 -0.100 2
1 319 . 1 1 A 28 28 ALA C C 70 174.090 174.832 -0.742 2
1 320 . 1 1 A 28 28 ALA CA C 70 50.137 50.018 0.119 2
1 321 . 1 1 A 28 28 ALA CB C 70 19.221 21.458 -2.237 2
1 322 . 1 1 A 28 28 ALA N N 70 125.545 121.288 4.257 2
1 323 . 1 1 A 29 29 PRO HA H 71 4.462 4.608 -0.146 2
1 330 . 1 1 A 29 29 PRO C C 71 176.671 176.019 0.652 2
1 331 . 1 1 A 29 29 PRO CA C 71 63.021 63.429 -0.408 2
1 332 . 1 1 A 29 29 PRO CB C 71 32.015 31.504 0.511 2
1 335 . 1 1 A 30 30 GLY H H 72 7.988 7.989 -0.001 2
1 336 . 1 1 A 30 30 GLY HA2 H 72 5.001 4.025 0.976 2
1 337 . 1 1 A 30 30 GLY HA3 H 72 3.991 4.061 -0.070 2
1 338 . 1 1 A 30 30 GLY C C 72 172.906 171.300 1.606 2
1 339 . 1 1 A 30 30 GLY CA C 72 45.642 44.974 0.668 2
1 340 . 1 1 A 30 30 GLY N N 72 109.355 109.728 -0.373 2
1 341 . 1 1 A 31 31 VAL H H 73 9.332 8.556 0.777 2
1 342 . 1 1 A 31 31 VAL HA H 73 5.194 4.914 0.280 2
1 350 . 1 1 A 31 31 VAL C C 73 171.443 173.174 -1.731 2
1 351 . 1 1 A 31 31 VAL CA C 73 60.233 59.908 0.325 2
1 352 . 1 1 A 31 31 VAL CB C 73 35.471 35.362 0.109 2
1 355 . 1 1 A 31 31 VAL N N 73 116.539 118.717 -2.178 2
1 356 . 1 1 A 32 32 ARG H H 74 8.956 9.123 -0.167 2
1 357 . 1 1 A 32 32 ARG HA H 74 5.999 5.689 0.310 2
1 365 . 1 1 A 32 32 ARG C C 74 174.581 175.287 -0.706 2
1 366 . 1 1 A 32 32 ARG CA C 74 54.187 54.689 -0.502 2
1 367 . 1 1 A 32 32 ARG CB C 74 33.463 32.773 0.690 2
1 370 . 1 1 A 32 32 ARG N N 74 127.557 129.093 -1.536 2
1 372 . 1 1 A 33 33 PHE H H 75 9.262 8.666 0.595 2
1 373 . 1 1 A 33 33 PHE HA H 75 5.461 5.468 -0.007 2
1 381 . 1 1 A 33 33 PHE C C 75 171.210 172.600 -1.390 2
1 382 . 1 1 A 33 33 PHE CA C 75 55.947 56.038 -0.091 2
1 383 . 1 1 A 33 33 PHE CB C 75 41.151 41.566 -0.415 2
1 389 . 1 1 A 33 33 PHE N N 75 120.514 121.130 -0.616 2
1 390 . 1 1 A 34 34 ARG H H 76 9.921 8.640 1.281 2
1 391 . 1 1 A 34 34 ARG HA H 76 4.368 4.354 0.014 2
1 399 . 1 1 A 34 34 ARG C C 76 173.994 174.788 -0.794 2
1 400 . 1 1 A 34 34 ARG CA C 76 54.594 55.019 -0.425 2
1 401 . 1 1 A 34 34 ARG CB C 76 31.539 30.824 0.715 2
1 404 . 1 1 A 34 34 ARG N N 76 122.011 119.629 2.382 2
1 406 . 1 1 A 35 35 LEU H H 77 8.781 8.741 0.040 2
1 407 . 1 1 A 35 35 LEU HA H 77 4.755 4.848 -0.093 2
1 417 . 1 1 A 35 35 LEU C C 77 176.305 175.179 1.126 2
1 418 . 1 1 A 35 35 LEU CA C 77 53.188 54.581 -1.393 2
1 419 . 1 1 A 35 35 LEU CB C 77 44.689 43.107 1.582 2
1 423 . 1 1 A 35 35 LEU N N 77 127.038 127.397 -0.359 2
1 424 . 1 1 A 36 36 GLU H H 78 9.342 8.741 0.601 2
1 425 . 1 1 A 36 36 GLU HA H 78 4.531 4.565 -0.034 2
1 430 . 1 1 A 36 36 GLU C C 78 175.380 175.681 -0.301 2
1 431 . 1 1 A 36 36 GLU CA C 78 54.829 55.974 -1.145 2
1 432 . 1 1 A 36 36 GLU CB C 78 29.842 29.985 -0.143 2
1 434 . 1 1 A 36 36 GLU N N 78 126.891 126.606 0.285 2
1 435 . 1 1 A 37 37 ASP H H 79 8.418 8.472 -0.054 2
1 436 . 1 1 A 37 37 ASP HA H 79 4.630 4.575 0.055 2
1 439 . 1 1 A 37 37 ASP C C 79 176.623 177.093 -0.470 2
1 440 . 1 1 A 37 37 ASP CA C 79 53.996 54.508 -0.512 2
1 441 . 1 1 A 37 37 ASP CB C 79 41.401 41.774 -0.373 2
1 442 . 1 1 A 37 37 ASP N N 79 125.084 126.143 -1.059 2
1 443 . 1 1 A 38 38 LYS H H 80 8.691 8.727 -0.037 2
1 444 . 1 1 A 38 38 LYS HA H 80 4.064 4.059 0.005 2
1 453 . 1 1 A 38 38 LYS C C 80 176.779 177.705 -0.926 2
1 454 . 1 1 A 38 38 LYS CA C 80 57.994 58.562 -0.568 2
1 455 . 1 1 A 38 38 LYS CB C 80 32.404 32.215 0.189 2
1 459 . 1 1 A 38 38 LYS N N 80 124.179 125.130 -0.951 2
1 460 . 1 1 A 39 39 ASP H H 81 8.355 7.934 0.421 2
1 461 . 1 1 A 39 39 ASP HA H 81 4.591 4.486 0.105 2
1 464 . 1 1 A 39 39 ASP C C 81 175.682 176.349 -0.667 2
1 465 . 1 1 A 39 39 ASP CA C 81 54.888 56.158 -1.270 2
1 466 . 1 1 A 39 39 ASP CB C 81 41.040 41.329 -0.289 2
1 467 . 1 1 A 39 39 ASP N N 81 117.392 118.276 -0.884 2
1 468 . 1 1 A 40 40 ASN H H 82 7.954 7.796 0.158 2
1 469 . 1 1 A 40 40 ASN HA H 82 4.785 4.930 -0.145 2
1 474 . 1 1 A 40 40 ASN C C 82 175.435 175.220 0.215 2
1 475 . 1 1 A 40 40 ASN CA C 82 53.032 52.376 0.656 2
1 476 . 1 1 A 40 40 ASN CB C 82 38.471 39.318 -0.847 2
1 478 . 1 1 A 40 40 ASN N N 82 117.785 115.872 1.913 2
1 480 . 1 1 A 41 41 THR H H 83 8.518 8.491 0.027 2
1 481 . 1 1 A 41 41 THR HA H 83 4.243 4.211 0.032 2
1 486 . 1 1 A 41 41 THR C C 83 175.191 175.715 -0.524 2
1 487 . 1 1 A 41 41 THR CA C 83 63.584 63.989 -0.405 2
1 488 . 1 1 A 41 41 THR CB C 83 69.267 68.710 0.557 2
1 490 . 1 1 A 41 41 THR N N 83 114.265 118.881 -4.616 2
1 491 . 1 1 A 42 42 SER H H 84 8.179 8.080 0.099 2
1 492 . 1 1 A 42 42 SER HA H 84 4.439 4.410 0.029 2
1 495 . 1 1 A 42 42 SER C C 84 174.269 174.305 -0.036 2
1 496 . 1 1 A 42 42 SER CA C 84 59.222 60.004 -0.782 2
1 497 . 1 1 A 42 42 SER CB C 84 63.627 63.323 0.304 2
1 498 . 1 1 A 42 42 SER N N 84 115.576 115.938 -0.362 2
1 499 . 1 1 A 43 43 LYS H H 85 7.911 7.530 0.381 2
1 500 . 1 1 A 43 43 LYS HA H 85 4.460 4.648 -0.188 2
1 509 . 1 1 A 43 43 LYS C C 85 175.440 174.982 0.458 2
1 510 . 1 1 A 43 43 LYS CA C 85 55.961 55.280 0.681 2
1 511 . 1 1 A 43 43 LYS CB C 85 33.032 33.796 -0.764 2
1 515 . 1 1 A 43 43 LYS N N 85 123.691 120.254 3.437 2
1 516 . 1 1 A 44 44 THR H H 86 8.165 8.539 -0.374 2
1 517 . 1 1 A 44 44 THR HA H 86 4.904 5.187 -0.283 2
1 522 . 1 1 A 44 44 THR C C 86 173.685 173.500 0.185 2
1 523 . 1 1 A 44 44 THR CA C 86 60.794 60.595 0.199 2
1 524 . 1 1 A 44 44 THR CB C 86 71.046 70.400 0.646 2
1 526 . 1 1 A 44 44 THR N N 86 117.392 115.892 1.500 2
1 527 . 1 1 A 45 45 VAL H H 87 8.155 8.660 -0.505 2
1 528 . 1 1 A 45 45 VAL HA H 87 4.402 4.430 -0.028 2
1 536 . 1 1 A 45 45 VAL C C 87 174.343 175.251 -0.908 2
1 537 . 1 1 A 45 45 VAL CA C 87 60.551 61.023 -0.472 2
1 538 . 1 1 A 45 45 VAL CB C 87 35.225 33.479 1.746 2
1 541 . 1 1 A 45 45 VAL N N 87 123.105 125.044 -1.939 2
1 542 . 1 1 A 46 46 TRP H H 88 8.574 8.768 -0.194 2
1 543 . 1 1 A 46 46 TRP HA H 88 4.789 5.038 -0.249 2
1 552 . 1 1 A 46 46 TRP C C 88 175.287 176.335 -1.048 2
1 553 . 1 1 A 46 46 TRP CA C 88 57.716 57.020 0.696 2
1 554 . 1 1 A 46 46 TRP CB C 88 30.822 30.560 0.262 2
1 560 . 1 1 A 46 46 TRP N N 88 126.326 128.344 -2.018 2
1 562 . 1 1 A 47 47 VAL H H 89 9.550 8.730 0.820 2
1 563 . 1 1 A 47 47 VAL HA H 89 4.884 4.868 0.016 2
1 571 . 1 1 A 47 47 VAL C C 89 173.675 174.396 -0.721 2
1 572 . 1 1 A 47 47 VAL CA C 89 60.713 61.265 -0.552 2
1 573 . 1 1 A 47 47 VAL CB C 89 33.847 33.271 0.576 2
1 576 . 1 1 A 47 47 VAL N N 89 123.380 122.853 0.526 2
1 577 . 1 1 A 48 48 LEU H H 90 8.757 9.026 -0.269 2
1 578 . 1 1 A 48 48 LEU HA H 90 5.181 4.904 0.277 2
1 588 . 1 1 A 48 48 LEU C C 90 175.118 174.963 0.155 2
1 589 . 1 1 A 48 48 LEU CA C 90 53.567 53.591 -0.024 2
1 590 . 1 1 A 48 48 LEU CB C 90 45.758 43.157 2.601 2
1 594 . 1 1 A 48 48 LEU N N 90 125.653 130.074 -4.421 2
1 595 . 1 1 A 49 49 TYR H H 91 9.355 9.067 0.288 2
1 596 . 1 1 A 49 49 TYR HA H 91 5.196 5.111 0.085 2
1 603 . 1 1 A 49 49 TYR C C 91 172.437 174.226 -1.789 2
1 604 . 1 1 A 49 49 TYR CA C 91 56.490 56.736 -0.246 2
1 605 . 1 1 A 49 49 TYR CB C 91 41.602 40.144 1.458 2
1 610 . 1 1 A 49 49 TYR N N 91 129.351 128.812 0.539 2
1 611 . 1 1 A 50 50 LYS H H 92 7.805 8.271 -0.466 2
1 612 . 1 1 A 50 50 LYS HA H 92 4.450 4.752 -0.302 2
1 621 . 1 1 A 50 50 LYS C C 92 173.949 175.718 -1.769 2
1 622 . 1 1 A 50 50 LYS CA C 92 55.264 54.826 0.438 2
1 623 . 1 1 A 50 50 LYS CB C 92 32.484 33.907 -1.423 2
1 627 . 1 1 A 50 50 LYS N N 92 127.571 126.736 0.835 2
1 628 . 1 1 A 51 51 GLY H H 93 7.147 7.972 -0.825 2
1 629 . 1 1 A 51 51 GLY HA2 H 93 3.810 3.875 -0.065 2
1 630 . 1 1 A 51 51 GLY HA3 H 93 3.609 4.014 -0.405 2
1 631 . 1 1 A 51 51 GLY C C 93 170.582 172.291 -1.709 2
1 632 . 1 1 A 51 51 GLY CA C 93 43.645 44.273 -0.628 2
1 633 . 1 1 A 51 51 GLY N N 93 111.723 109.564 2.159 2
1 634 . 1 1 A 52 52 ALA H H 94 8.185 8.207 -0.022 2
1 635 . 1 1 A 52 52 ALA HA H 94 4.273 4.391 -0.118 2
1 639 . 1 1 A 52 52 ALA C C 94 178.775 177.234 1.541 2
1 640 . 1 1 A 52 52 ALA CA C 94 52.381 52.219 0.162 2
1 641 . 1 1 A 52 52 ALA CB C 94 18.392 18.914 -0.522 2
1 642 . 1 1 A 52 52 ALA N N 94 119.165 123.101 -3.936 2
1 643 . 1 1 A 53 53 VAL H H 95 8.967 8.647 0.320 2
1 644 . 1 1 A 53 53 VAL HA H 95 4.200 4.461 -0.261 2
1 652 . 1 1 A 53 53 VAL C C 95 174.416 174.705 -0.289 2
1 653 . 1 1 A 53 53 VAL CA C 95 60.028 60.451 -0.423 2
1 654 . 1 1 A 53 53 VAL CB C 95 32.712 32.057 0.655 2
1 657 . 1 1 A 53 53 VAL N N 95 127.597 124.675 2.922 2
1 658 . 1 1 A 54 54 PRO HA H 96 4.609 4.630 -0.021 2
1 665 . 1 1 A 54 54 PRO C C 96 177.752 177.130 0.622 2
1 666 . 1 1 A 54 54 PRO CA C 96 62.907 62.862 0.045 2
1 667 . 1 1 A 54 54 PRO CB C 96 32.850 32.782 0.068 2
1 670 . 1 1 A 55 55 ASP H H 97 9.047 8.797 0.250 2
1 671 . 1 1 A 55 55 ASP HA H 97 4.459 4.362 0.097 2
1 674 . 1 1 A 55 55 ASP C C 97 176.541 177.987 -1.446 2
1 675 . 1 1 A 55 55 ASP CA C 97 56.434 56.565 -0.131 2
1 676 . 1 1 A 55 55 ASP CB C 97 39.845 40.291 -0.446 2
1 677 . 1 1 A 55 55 ASP N N 97 122.223 122.874 -0.651 2
1 678 . 1 1 A 56 56 THR H H 98 7.196 7.721 -0.525 2
1 679 . 1 1 A 56 56 THR HA H 98 4.105 4.180 -0.075 2
1 684 . 1 1 A 56 56 THR C C 98 174.743 174.950 -0.207 2
1 685 . 1 1 A 56 56 THR CA C 98 60.857 64.178 -3.321 2
1 686 . 1 1 A 56 56 THR CB C 98 69.227 69.046 0.182 2
1 688 . 1 1 A 56 56 THR N N 98 105.196 111.786 -6.590 2
1 689 . 1 1 A 57 57 PHE H H 99 7.766 7.573 0.193 2
1 690 . 1 1 A 57 57 PHE HA H 99 3.752 4.415 -0.663 2
1 698 . 1 1 A 57 57 PHE C C 99 172.629 174.417 -1.788 2
1 699 . 1 1 A 57 57 PHE CA C 99 60.570 58.676 1.894 2
1 700 . 1 1 A 57 57 PHE CB C 99 40.156 39.299 0.857 2
1 706 . 1 1 A 57 57 PHE N N 99 122.514 123.570 -1.056 2
1 707 . 1 1 A 58 58 LYS H H 100 6.468 8.205 -1.737 2
1 708 . 1 1 A 58 58 LYS HA H 100 4.409 4.641 -0.232 2
1 717 . 1 1 A 58 58 LYS C C 100 171.564 173.335 -1.771 2
1 718 . 1 1 A 58 58 LYS CA C 100 53.643 53.569 0.074 2
1 719 . 1 1 A 58 58 LYS CB C 100 32.382 34.961 -2.579 2
1 723 . 1 1 A 58 58 LYS N N 100 125.478 123.442 2.036 2
1 724 . 1 1 A 59 59 PRO HA H 101 3.708 4.098 -0.390 2
1 731 . 1 1 A 59 59 PRO C C 101 176.868 177.397 -0.529 2
1 732 . 1 1 A 59 59 PRO CA C 101 63.881 63.606 0.275 2
1 733 . 1 1 A 59 59 PRO CB C 101 31.168 31.240 -0.072 2
1 736 . 1 1 A 60 60 GLY H H 102 9.269 8.591 0.678 2
1 737 . 1 1 A 60 60 GLY HA2 H 102 4.299 3.865 0.434 2
1 738 . 1 1 A 60 60 GLY HA3 H 102 3.502 3.869 -0.367 2
1 739 . 1 1 A 60 60 GLY C C 102 174.023 174.373 -0.350 2
1 740 . 1 1 A 60 60 GLY CA C 102 45.005 45.139 -0.134 2
1 741 . 1 1 A 60 60 GLY N N 102 112.023 112.634 -0.611 2
1 742 . 1 1 A 61 61 VAL H H 103 7.321 7.465 -0.144 2
1 743 . 1 1 A 61 61 VAL HA H 103 4.279 4.180 0.099 2
1 751 . 1 1 A 61 61 VAL C C 103 174.073 175.393 -1.320 2
1 752 . 1 1 A 61 61 VAL CA C 103 61.277 61.601 -0.324 2
1 753 . 1 1 A 61 61 VAL CB C 103 32.882 32.666 0.216 2
1 756 . 1 1 A 61 61 VAL N N 103 118.571 121.739 -3.168 2
1 757 . 1 1 A 62 62 GLU H H 104 8.204 8.505 -0.301 2
1 758 . 1 1 A 62 62 GLU HA H 104 4.946 4.704 0.242 2
1 763 . 1 1 A 62 62 GLU C C 104 176.252 176.502 -0.250 2
1 764 . 1 1 A 62 62 GLU CA C 104 55.398 56.477 -1.079 2
1 765 . 1 1 A 62 62 GLU CB C 104 30.129 30.321 -0.192 2
1 767 . 1 1 A 62 62 GLU N N 104 123.214 126.815 -3.601 2
1 768 . 1 1 A 63 63 VAL H H 105 9.066 8.800 0.266 2
1 769 . 1 1 A 63 63 VAL HA H 105 5.297 5.005 0.292 2
1 777 . 1 1 A 63 63 VAL C C 105 173.913 174.410 -0.497 2
1 778 . 1 1 A 63 63 VAL CA C 105 58.284 59.390 -1.106 2
1 779 . 1 1 A 63 63 VAL CB C 105 36.265 35.158 1.107 2
1 782 . 1 1 A 63 63 VAL N N 105 115.526 118.676 -3.150 2
1 783 . 1 1 A 64 64 ILE H H 106 8.542 8.991 -0.449 2
1 784 . 1 1 A 64 64 ILE HA H 106 4.775 4.604 0.171 2
1 794 . 1 1 A 64 64 ILE C C 106 176.511 175.531 0.980 2
1 795 . 1 1 A 64 64 ILE CA C 106 60.804 59.969 0.835 2
1 796 . 1 1 A 64 64 ILE CB C 106 40.991 39.566 1.425 2
1 800 . 1 1 A 64 64 ILE N N 106 120.283 122.835 -2.552 2
1 801 . 1 1 A 65 65 ILE H H 107 8.944 8.600 0.344 2
1 802 . 1 1 A 65 65 ILE HA H 107 5.197 4.992 0.205 2
1 812 . 1 1 A 65 65 ILE C C 107 174.076 174.543 -0.467 2
1 813 . 1 1 A 65 65 ILE CA C 107 58.384 59.147 -0.763 2
1 814 . 1 1 A 65 65 ILE CB C 107 42.082 39.910 2.172 2
1 818 . 1 1 A 65 65 ILE N N 107 122.157 123.752 -1.596 2
1 819 . 1 1 A 66 66 GLU H H 108 7.762 8.659 -0.897 2
1 820 . 1 1 A 66 66 GLU HA H 108 5.801 5.500 0.301 2
1 825 . 1 1 A 66 66 GLU C C 108 176.789 175.732 1.057 2
1 826 . 1 1 A 66 66 GLU CA C 108 54.063 55.231 -1.168 2
1 827 . 1 1 A 66 66 GLU CB C 108 32.818 33.290 -0.472 2
1 829 . 1 1 A 66 66 GLU N N 108 119.473 123.020 -3.547 2
1 830 . 1 1 A 67 67 GLY H H 109 9.064 8.402 0.662 2
1 831 . 1 1 A 67 67 GLY HA2 H 109 4.773 4.188 0.585 2
1 832 . 1 1 A 67 67 GLY HA3 H 109 3.948 4.265 -0.317 2
1 833 . 1 1 A 67 67 GLY C C 109 170.431 172.077 -1.646 2
1 834 . 1 1 A 67 67 GLY CA C 109 46.598 45.971 0.627 2
1 835 . 1 1 A 67 67 GLY N N 109 112.366 111.458 0.908 2
1 836 . 1 1 A 68 68 GLY H H 110 7.116 7.622 -0.506 2
1 837 . 1 1 A 68 68 GLY HA2 H 110 3.949 3.971 -0.022 2
1 838 . 1 1 A 68 68 GLY HA3 H 110 3.732 4.068 -0.336 2
1 839 . 1 1 A 68 68 GLY C C 110 170.827 171.323 -0.496 2
1 840 . 1 1 A 68 68 GLY CA C 110 45.228 45.184 0.044 2
1 841 . 1 1 A 68 68 GLY N N 110 109.402 109.787 -0.385 2
1 842 . 1 1 A 69 69 LEU H H 111 8.542 8.564 -0.022 2
1 843 . 1 1 A 69 69 LEU HA H 111 4.546 4.829 -0.283 2
1 853 . 1 1 A 69 69 LEU C C 111 175.890 175.088 0.802 2
1 854 . 1 1 A 69 69 LEU CA C 111 54.400 53.829 0.571 2
1 855 . 1 1 A 69 69 LEU CB C 111 43.814 44.884 -1.070 2
1 859 . 1 1 A 69 69 LEU N N 111 122.808 123.027 -0.219 2
1 860 . 1 1 A 70 70 ALA H H 112 8.889 8.546 0.343 2
1 861 . 1 1 A 70 70 ALA HA H 112 4.639 4.576 0.063 2
1 865 . 1 1 A 70 70 ALA C C 112 174.900 176.753 -1.853 2
1 866 . 1 1 A 70 70 ALA CA C 112 49.951 50.357 -0.406 2
1 867 . 1 1 A 70 70 ALA CB C 112 18.111 18.995 -0.884 2
1 868 . 1 1 A 70 70 ALA N N 112 130.675 129.291 1.384 2
1 869 . 1 1 A 71 71 PRO HA H 113 4.338 4.355 -0.017 2
1 876 . 1 1 A 71 71 PRO C C 113 178.206 177.599 0.607 2
1 877 . 1 1 A 71 71 PRO CA C 113 64.055 64.036 0.019 2
1 878 . 1 1 A 71 71 PRO CB C 113 31.754 31.298 0.456 2
1 881 . 1 1 A 72 72 GLY H H 114 8.748 8.507 0.241 2
1 882 . 1 1 A 72 72 GLY HA2 H 114 4.165 3.961 0.204 2
1 883 . 1 1 A 72 72 GLY HA3 H 114 3.775 3.966 -0.191 2
1 884 . 1 1 A 72 72 GLY C C 114 174.200 174.115 0.085 2
1 885 . 1 1 A 72 72 GLY CA C 114 45.602 45.467 0.135 2
1 886 . 1 1 A 72 72 GLY N N 114 111.945 110.159 1.785 2
1 887 . 1 1 A 73 73 GLU H H 115 7.931 7.700 0.231 2
1 888 . 1 1 A 73 73 GLU HA H 115 4.581 4.588 -0.006 2
1 893 . 1 1 A 73 73 GLU C C 115 175.843 176.157 -0.314 2
1 894 . 1 1 A 73 73 GLU CA C 115 55.732 55.325 0.407 2
1 895 . 1 1 A 73 73 GLU CB C 115 31.128 31.560 -0.432 2
1 897 . 1 1 A 73 73 GLU N N 115 118.591 120.479 -1.888 2
1 898 . 1 1 A 74 74 ASP H H 116 8.467 8.729 -0.262 2
1 899 . 1 1 A 74 74 ASP HA H 116 4.823 4.681 0.142 2
1 902 . 1 1 A 74 74 ASP C C 116 175.848 175.950 -0.102 2
1 903 . 1 1 A 74 74 ASP CA C 116 53.831 55.602 -1.771 2
1 904 . 1 1 A 74 74 ASP CB C 116 41.052 41.557 -0.505 2
1 905 . 1 1 A 74 74 ASP N N 116 118.021 123.318 -5.297 2
1 906 . 1 1 A 75 75 THR H H 117 7.301 7.561 -0.260 2
1 907 . 1 1 A 75 75 THR HA H 117 4.620 4.995 -0.375 2
1 912 . 1 1 A 75 75 THR C C 117 172.120 173.460 -1.340 2
1 913 . 1 1 A 75 75 THR CA C 117 61.907 61.114 0.793 2
1 914 . 1 1 A 75 75 THR CB C 117 71.398 70.281 1.117 2
1 916 . 1 1 A 75 75 THR N N 117 114.820 114.088 0.732 2
1 917 . 1 1 A 76 76 PHE H H 118 9.657 9.164 0.493 2
1 918 . 1 1 A 76 76 PHE HA H 118 4.290 4.649 -0.359 2
1 926 . 1 1 A 76 76 PHE C C 118 174.118 174.271 -0.153 2
1 927 . 1 1 A 76 76 PHE CA C 118 58.185 57.395 0.790 2
1 928 . 1 1 A 76 76 PHE CB C 118 40.718 39.523 1.195 2
1 934 . 1 1 A 76 76 PHE N N 118 130.378 129.042 1.336 2
1 935 . 1 1 A 77 77 LYS H H 119 8.364 8.296 0.068 2
1 936 . 1 1 A 77 77 LYS HA H 119 4.853 4.665 0.188 2
1 945 . 1 1 A 77 77 LYS C C 119 175.278 174.955 0.323 2
1 946 . 1 1 A 77 77 LYS CA C 119 55.282 55.651 -0.369 2
1 947 . 1 1 A 77 77 LYS CB C 119 31.319 32.479 -1.160 2
1 951 . 1 1 A 77 77 LYS N N 119 129.777 127.009 2.768 2
1 952 . 1 1 A 78 78 ALA H H 120 8.837 8.589 0.248 2
1 953 . 1 1 A 78 78 ALA HA H 120 4.828 4.689 0.139 2
1 957 . 1 1 A 78 78 ALA C C 120 176.015 178.051 -2.036 2
1 958 . 1 1 A 78 78 ALA CA C 120 51.435 52.156 -0.721 2
1 959 . 1 1 A 78 78 ALA CB C 120 20.006 19.498 0.508 2
1 960 . 1 1 A 78 78 ALA N N 120 129.771 129.218 0.553 2
1 961 . 1 1 A 79 79 ARG H H 121 9.846 8.711 1.135 2
1 962 . 1 1 A 79 79 ARG HA H 121 4.582 4.237 0.344 2
1 970 . 1 1 A 79 79 ARG C C 121 176.651 176.070 0.581 2
1 971 . 1 1 A 79 79 ARG CA C 121 57.420 57.932 -0.512 2
1 972 . 1 1 A 79 79 ARG CB C 121 31.773 30.923 0.850 2
1 975 . 1 1 A 79 79 ARG N N 121 125.113 123.504 1.609 2
1 977 . 1 1 A 80 80 THR H H 122 7.938 7.919 0.019 2
1 978 . 1 1 A 80 80 THR HA H 122 4.921 5.241 -0.320 2
1 983 . 1 1 A 80 80 THR C C 122 172.002 172.737 -0.735 2
1 984 . 1 1 A 80 80 THR CA C 122 60.475 60.550 -0.075 2
1 985 . 1 1 A 80 80 THR CB C 122 72.093 72.184 -0.091 2
1 987 . 1 1 A 80 80 THR N N 122 109.595 109.841 -0.246 2
1 988 . 1 1 A 81 81 LEU H H 123 8.196 8.768 -0.572 2
1 989 . 1 1 A 81 81 LEU HA H 123 4.701 4.871 -0.170 2
1 999 . 1 1 A 81 81 LEU C C 123 173.804 174.190 -0.386 2
1 1000 . 1 1 A 81 81 LEU CA C 123 55.357 53.821 1.536 2
1 1001 . 1 1 A 81 81 LEU CB C 123 44.009 45.076 -1.067 2
1 1005 . 1 1 A 81 81 LEU N N 123 123.214 124.427 -1.214 2
1 1006 . 1 1 A 82 82 MET H H 124 8.700 8.726 -0.026 2
1 1007 . 1 1 A 82 82 MET HA H 124 4.841 5.048 -0.207 2
1 1015 . 1 1 A 82 82 MET C C 124 175.097 175.255 -0.158 2
1 1016 . 1 1 A 82 82 MET CA C 124 54.190 54.100 0.090 2
1 1017 . 1 1 A 82 82 MET CB C 124 36.191 35.405 0.786 2
1 1020 . 1 1 A 82 82 MET N N 124 124.452 125.561 -1.109 2
1 1021 . 1 1 A 83 83 THR H H 125 8.671 8.675 -0.004 2
1 1022 . 1 1 A 83 83 THR HA H 125 4.934 4.697 0.237 2
1 1027 . 1 1 A 83 83 THR C C 125 174.094 175.392 -1.298 2
1 1028 . 1 1 A 83 83 THR CA C 125 60.253 60.780 -0.527 2
1 1029 . 1 1 A 83 83 THR CB C 125 69.831 70.448 -0.617 2
1 1031 . 1 1 A 83 83 THR N N 125 113.070 115.570 -2.500 2
1 1032 . 1 1 A 84 84 LYS H H 126 8.419 8.817 -0.398 2
1 1033 . 1 1 A 84 84 LYS HA H 126 4.446 4.262 0.184 2
1 1042 . 1 1 A 84 84 LYS C C 126 175.461 176.673 -1.212 2
1 1043 . 1 1 A 84 84 LYS CA C 126 55.500 58.076 -2.576 2
1 1044 . 1 1 A 84 84 LYS CB C 126 33.736 32.948 0.788 2
1 1048 . 1 1 A 84 84 LYS N N 126 123.139 122.823 0.316 2
1 1049 . 1 1 A 85 85 CYS H H 127 8.543 7.682 0.861 2
1 1050 . 1 1 A 85 85 CYS HA H 127 4.795 4.661 0.134 2
1 1053 . 1 1 A 85 85 CYS C C 127 172.809 173.595 -0.786 2
1 1054 . 1 1 A 85 85 CYS CA C 127 56.423 56.708 -0.285 2
1 1055 . 1 1 A 85 85 CYS CB C 127 27.739 28.630 -0.891 2
1 1056 . 1 1 A 85 85 CYS N N 127 123.709 118.250 5.459 2
1 1057 . 1 1 A 86 86 PRO HA H 128 4.439 4.665 -0.226 2
1 1064 . 1 1 A 86 86 PRO C C 128 176.560 176.173 0.387 2
1 1065 . 1 1 A 86 86 PRO CA C 128 63.292 62.561 0.731 2
1 1066 . 1 1 A 86 86 PRO CB C 128 32.165 32.147 0.018 2
1 1069 . 1 1 A 87 87 LEU H H 129 8.274 8.329 -0.055 2
1 1070 . 1 1 A 87 87 LEU HA H 129 4.256 4.450 -0.194 2
1 1080 . 1 1 A 87 87 LEU C C 129 177.141 176.168 0.973 2
1 1081 . 1 1 A 87 87 LEU CA C 129 55.281 54.573 0.708 2
1 1082 . 1 1 A 87 87 LEU CB C 129 42.299 42.345 -0.046 2
1 1086 . 1 1 A 87 87 LEU N N 129 122.188 122.168 0.020 2
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