data_16214_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16214
_Entry.PDB_ID 2KGO
_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 12 . 1 1 1 A 22 22 ALA H H 22 8.289 8.269 0.020 1
1 13 . 1 1 1 A 22 22 ALA HA H 22 4.277 4.225 0.052 1
1 17 . 1 1 1 A 22 22 ALA C C 22 177.730 176.403 1.327 1
1 18 . 1 1 1 A 22 22 ALA CA C 22 52.742 51.796 0.946 1
1 19 . 1 1 1 A 22 22 ALA CB C 22 19.263 17.859 1.404 1
1 20 . 1 1 1 A 22 22 ALA N N 22 125.042 127.323 -2.281 1
1 21 . 1 1 1 A 23 23 SER H H 23 8.253 8.123 0.130 1
1 22 . 1 1 1 A 23 23 SER HA H 23 4.374 5.172 -0.798 1
1 25 . 1 1 1 A 23 23 SER C C 23 175.066 173.818 1.248 1
1 26 . 1 1 1 A 23 23 SER CA C 23 58.670 57.055 1.615 1
1 27 . 1 1 1 A 23 23 SER CB C 23 63.822 66.207 -2.385 1
1 28 . 1 1 1 A 23 23 SER N N 23 114.713 116.543 -1.830 1
1 29 . 1 1 1 A 24 24 GLY H H 24 8.368 8.943 -0.575 1
1 30 . 1 1 1 A 24 24 GLY HA2 H 24 3.945 3.949 -0.004 1
1 31 . 1 1 1 A 24 24 GLY HA3 H 24 3.886 3.981 -0.095 1
1 32 . 1 1 1 A 24 24 GLY C C 24 173.906 175.335 -1.429 1
1 33 . 1 1 1 A 24 24 GLY CA C 24 45.410 46.807 -1.397 1
1 34 . 1 1 1 A 24 24 GLY N N 24 110.595 112.555 -1.960 1
1 35 . 1 1 1 A 25 25 TRP H H 25 7.961 8.171 -0.210 1
1 36 . 1 1 1 A 25 25 TRP HA H 25 4.632 4.745 -0.113 1
1 45 . 1 1 1 A 25 25 TRP C C 25 175.880 177.316 -1.436 1
1 46 . 1 1 1 A 25 25 TRP CA C 25 57.289 57.282 0.007 1
1 47 . 1 1 1 A 25 25 TRP CB C 25 29.725 31.028 -1.303 1
1 53 . 1 1 1 A 25 25 TRP N N 25 120.881 119.700 1.181 1
1 55 . 1 1 1 A 26 26 ALA H H 26 8.129 7.408 0.721 1
1 56 . 1 1 1 A 26 26 ALA HA H 26 4.222 4.260 -0.038 1
1 60 . 1 1 1 A 26 26 ALA C C 26 176.977 176.621 0.356 1
1 61 . 1 1 1 A 26 26 ALA CA C 26 52.345 52.307 0.038 1
1 62 . 1 1 1 A 26 26 ALA CB C 26 19.414 20.917 -1.503 1
1 63 . 1 1 1 A 26 26 ALA N N 26 125.541 119.456 6.085 1
1 64 . 1 1 1 A 27 27 ASN H H 27 8.139 7.257 0.882 1
1 65 . 1 1 1 A 27 27 ASN HA H 27 4.581 4.582 -0.001 1
1 70 . 1 1 1 A 27 27 ASN C C 27 175.044 173.510 1.534 1
1 71 . 1 1 1 A 27 27 ASN CA C 27 53.260 52.347 0.913 1
1 72 . 1 1 1 A 27 27 ASN CB C 27 39.022 37.116 1.906 1
1 73 . 1 1 1 A 27 27 ASN N N 27 117.794 116.756 1.038 1
1 75 . 1 1 1 A 28 28 ASP H H 28 8.286 8.068 0.218 1
1 76 . 1 1 1 A 28 28 ASP HA H 28 4.581 4.858 -0.277 1
1 79 . 1 1 1 A 28 28 ASP C C 28 176.163 175.817 0.346 1
1 80 . 1 1 1 A 28 28 ASP CA C 28 54.629 53.096 1.533 1
1 81 . 1 1 1 A 28 28 ASP CB C 28 41.129 43.656 -2.527 1
1 82 . 1 1 1 A 28 28 ASP N N 28 120.788 124.913 -4.125 1
1 83 . 1 1 1 A 29 29 ASP H H 29 8.287 8.918 -0.631 1
1 84 . 1 1 1 A 29 29 ASP HA H 29 4.546 4.271 0.275 1
1 87 . 1 1 1 A 29 29 ASP C C 29 176.359 177.584 -1.225 1
1 88 . 1 1 1 A 29 29 ASP CA C 29 54.883 57.152 -2.269 1
1 89 . 1 1 1 A 29 29 ASP CB C 29 41.050 40.427 0.623 1
1 90 . 1 1 1 A 29 29 ASP N N 29 120.641 121.390 -0.749 1
1 91 . 1 1 1 A 30 30 ALA H H 30 8.141 7.768 0.373 1
1 92 . 1 1 1 A 30 30 ALA HA H 30 4.278 4.193 0.085 1
1 96 . 1 1 1 A 30 30 ALA C C 30 178.218 177.808 0.410 1
1 97 . 1 1 1 A 30 30 ALA CA C 30 53.006 53.146 -0.140 1
1 98 . 1 1 1 A 30 30 ALA CB C 30 19.115 17.950 1.165 1
1 99 . 1 1 1 A 30 30 ALA N N 30 123.561 120.724 2.837 1
1 100 . 1 1 1 A 31 31 VAL H H 31 7.996 7.892 0.104 1
1 101 . 1 1 1 A 31 31 VAL HA H 31 4.010 4.414 -0.404 1
1 109 . 1 1 1 A 31 31 VAL C C 31 175.417 177.353 -1.936 1
1 110 . 1 1 1 A 31 31 VAL CA C 31 62.896 62.309 0.587 1
1 111 . 1 1 1 A 31 31 VAL CB C 31 32.567 34.426 -1.859 1
1 114 . 1 1 1 A 31 31 VAL N N 31 118.676 117.270 1.406 1
1 115 . 1 1 1 A 32 32 ASN H H 32 8.364 7.613 0.751 1
1 116 . 1 1 1 A 32 32 ASN HA H 32 4.694 4.442 0.252 1
1 121 . 1 1 1 A 32 32 ASN C C 32 174.659 177.223 -2.564 1
1 122 . 1 1 1 A 32 32 ASN CA C 32 53.547 56.006 -2.459 1
1 123 . 1 1 1 A 32 32 ASN CB C 32 38.939 38.411 0.528 1
1 124 . 1 1 1 A 32 32 ASN N N 32 121.518 120.453 1.065 1
1 126 . 1 1 1 A 33 33 GLU H H 33 8.380 8.261 0.119 1
1 127 . 1 1 1 A 33 33 GLU HA H 33 4.240 4.023 0.217 1
1 132 . 1 1 1 A 33 33 GLU C C 33 176.641 178.950 -2.309 1
1 133 . 1 1 1 A 33 33 GLU CA C 33 57.074 58.505 -1.431 1
1 134 . 1 1 1 A 33 33 GLU CB C 33 30.212 28.032 2.180 1
1 136 . 1 1 1 A 33 33 GLU N N 33 121.497 117.346 4.151 1
1 137 . 1 1 1 A 34 34 GLN H H 34 8.333 7.908 0.425 1
1 138 . 1 1 1 A 34 34 GLN HA H 34 4.315 4.098 0.217 1
1 145 . 1 1 1 A 34 34 GLN C C 34 176.325 178.413 -2.088 1
1 146 . 1 1 1 A 34 34 GLN CA C 34 56.232 58.581 -2.349 1
1 147 . 1 1 1 A 34 34 GLN CB C 34 29.304 28.531 0.773 1
1 149 . 1 1 1 A 34 34 GLN N N 34 120.891 119.966 0.925 1
1 151 . 1 1 1 A 35 35 ILE H H 35 8.155 7.726 0.429 1
1 152 . 1 1 1 A 35 35 ILE HA H 35 4.116 4.045 0.071 1
1 162 . 1 1 1 A 35 35 ILE C C 35 176.203 176.354 -0.151 1
1 163 . 1 1 1 A 35 35 ILE CA C 35 61.645 63.998 -2.353 1
1 164 . 1 1 1 A 35 35 ILE CB C 35 38.640 38.092 0.548 1
1 168 . 1 1 1 A 35 35 ILE N N 35 121.784 118.427 3.357 1
1 169 . 1 1 1 A 36 36 ASN H H 36 8.504 7.554 0.950 1
1 170 . 1 1 1 A 36 36 ASN HA H 36 4.760 4.596 0.164 1
1 175 . 1 1 1 A 36 36 ASN C C 36 175.468 176.694 -1.226 1
1 176 . 1 1 1 A 36 36 ASN CA C 36 53.504 53.765 -0.261 1
1 177 . 1 1 1 A 36 36 ASN CB C 36 38.947 40.408 -1.461 1
1 178 . 1 1 1 A 36 36 ASN N N 36 122.204 120.591 1.613 1
1 180 . 1 1 1 A 37 37 SER H H 37 8.380 9.013 -0.633 1
1 181 . 1 1 1 A 37 37 SER HA H 37 4.505 4.320 0.185 1
1 184 . 1 1 1 A 37 37 SER C C 37 174.990 176.464 -1.474 1
1 185 . 1 1 1 A 37 37 SER CA C 37 58.963 60.617 -1.654 1
1 186 . 1 1 1 A 37 37 SER CB C 37 63.760 62.910 0.850 1
1 187 . 1 1 1 A 37 37 SER N N 37 116.788 121.228 -4.440 1
1 188 . 1 1 1 A 38 38 THR H H 38 8.302 7.806 0.496 1
1 189 . 1 1 1 A 38 38 THR HA H 38 4.369 3.936 0.433 1
1 194 . 1 1 1 A 38 38 THR C C 38 175.437 176.909 -1.472 1
1 195 . 1 1 1 A 38 38 THR CA C 38 62.751 66.853 -4.102 1
1 196 . 1 1 1 A 38 38 THR CB C 38 69.838 68.120 1.718 1
1 198 . 1 1 1 A 38 38 THR N N 38 116.285 116.168 0.117 1
1 199 . 1 1 1 A 39 39 ILE H H 39 8.153 7.696 0.457 1
1 200 . 1 1 1 A 39 39 ILE HA H 39 4.080 3.524 0.556 1
1 210 . 1 1 1 A 39 39 ILE C C 39 176.850 178.555 -1.705 1
1 211 . 1 1 1 A 39 39 ILE CA C 39 62.295 65.551 -3.256 1
1 212 . 1 1 1 A 39 39 ILE CB C 39 38.373 37.807 0.566 1
1 216 . 1 1 1 A 39 39 ILE N N 39 123.148 121.649 1.499 1
1 217 . 1 1 1 A 40 40 GLU H H 40 8.438 8.451 -0.013 1
1 218 . 1 1 1 A 40 40 GLU HA H 40 4.146 4.047 0.099 1
1 223 . 1 1 1 A 40 40 GLU C C 40 177.573 178.569 -0.996 1
1 224 . 1 1 1 A 40 40 GLU CA C 40 58.026 59.108 -1.082 1
1 225 . 1 1 1 A 40 40 GLU CB C 40 29.870 29.089 0.781 1
1 227 . 1 1 1 A 40 40 GLU N N 40 123.184 120.394 2.790 1
1 228 . 1 1 1 A 41 41 ASP H H 41 8.295 8.162 0.133 1
1 229 . 1 1 1 A 41 41 ASP HA H 41 4.512 4.396 0.116 1
1 232 . 1 1 1 A 41 41 ASP C C 41 176.856 178.090 -1.234 1
1 233 . 1 1 1 A 41 41 ASP CA C 41 55.563 57.497 -1.934 1
1 234 . 1 1 1 A 41 41 ASP CB C 41 41.080 41.085 -0.005 1
1 235 . 1 1 1 A 41 41 ASP N N 41 121.311 120.888 0.423 1
1 236 . 1 1 1 A 42 42 ALA H H 42 8.098 7.779 0.319 1
1 237 . 1 1 1 A 42 42 ALA HA H 42 4.153 4.111 0.042 1
1 241 . 1 1 1 A 42 42 ALA C C 42 179.658 179.991 -0.333 1
1 242 . 1 1 1 A 42 42 ALA CA C 42 54.315 55.142 -0.827 1
1 243 . 1 1 1 A 42 42 ALA CB C 42 18.765 18.627 0.138 1
1 244 . 1 1 1 A 42 42 ALA N N 42 123.411 121.430 1.981 1
1 245 . 1 1 1 A 43 43 ILE H H 43 8.047 7.902 0.145 1
1 246 . 1 1 1 A 43 43 ILE HA H 43 3.904 3.731 0.173 1
1 256 . 1 1 1 A 43 43 ILE C C 43 176.603 178.076 -1.473 1
1 257 . 1 1 1 A 43 43 ILE CA C 43 63.028 65.086 -2.058 1
1 258 . 1 1 1 A 43 43 ILE CB C 43 38.140 36.957 1.183 1
1 262 . 1 1 1 A 43 43 ILE N N 43 119.853 118.022 1.831 1
1 263 . 1 1 1 A 44 44 ALA H H 44 8.072 8.190 -0.118 1
1 264 . 1 1 1 A 44 44 ALA HA H 44 4.162 3.991 0.171 1
1 268 . 1 1 1 A 44 44 ALA C C 44 179.414 179.674 -0.260 1
1 269 . 1 1 1 A 44 44 ALA CA C 44 54.011 55.484 -1.473 1
1 270 . 1 1 1 A 44 44 ALA CB C 44 18.614 18.294 0.320 1
1 271 . 1 1 1 A 44 44 ALA N N 44 124.814 122.745 2.069 1
1 272 . 1 1 1 A 45 45 ARG H H 45 8.177 7.625 0.552 1
1 273 . 1 1 1 A 45 45 ARG HA H 45 4.187 4.159 0.028 1
1 280 . 1 1 1 A 45 45 ARG C C 45 177.629 178.727 -1.098 1
1 281 . 1 1 1 A 45 45 ARG CA C 45 57.569 57.877 -0.308 1
1 282 . 1 1 1 A 45 45 ARG CB C 45 30.600 30.216 0.384 1
1 285 . 1 1 1 A 45 45 ARG N N 45 118.718 116.434 2.284 1
1 286 . 1 1 1 A 46 46 ALA H H 46 8.004 7.550 0.454 1
1 287 . 1 1 1 A 46 46 ALA HA H 46 4.274 4.144 0.130 1
1 291 . 1 1 1 A 46 46 ALA C C 46 178.519 178.447 0.072 1
1 292 . 1 1 1 A 46 46 ALA CA C 46 53.339 54.984 -1.645 1
1 293 . 1 1 1 A 46 46 ALA CB C 46 18.827 19.127 -0.300 1
1 294 . 1 1 1 A 46 46 ALA N N 46 123.416 122.328 1.088 1
1 295 . 1 1 1 A 47 47 ARG H H 47 8.082 7.602 0.480 1
1 296 . 1 1 1 A 47 47 ARG HA H 47 4.285 4.510 -0.225 1
1 303 . 1 1 1 A 47 47 ARG C C 47 177.103 176.982 0.121 1
1 304 . 1 1 1 A 47 47 ARG CA C 47 56.871 55.008 1.863 1
1 305 . 1 1 1 A 47 47 ARG CB C 47 30.655 32.072 -1.417 1
1 308 . 1 1 1 A 47 47 ARG N N 47 118.672 113.047 5.625 1
1 309 . 1 1 1 A 48 48 GLY H H 48 8.160 7.491 0.669 1
1 310 . 1 1 1 A 48 48 GLY HA2 H 48 3.976 3.937 0.039 1
1 311 . 1 1 1 A 48 48 GLY HA3 H 48 3.976 3.938 0.038 1
1 312 . 1 1 1 A 48 48 GLY C C 48 174.015 175.102 -1.087 1
1 313 . 1 1 1 A 48 48 GLY CA C 48 45.337 46.309 -0.972 1
1 314 . 1 1 1 A 48 48 GLY N N 48 108.533 109.179 -0.646 1
1 315 . 1 1 1 A 49 49 GLU H H 49 8.113 8.003 0.110 1
1 316 . 1 1 1 A 49 49 GLU HA H 49 4.317 4.064 0.253 1
1 321 . 1 1 1 A 49 49 GLU C C 49 176.216 176.991 -0.775 1
1 322 . 1 1 1 A 49 49 GLU CA C 49 56.125 58.970 -2.845 1
1 323 . 1 1 1 A 49 49 GLU CB C 49 30.497 30.050 0.447 1
1 325 . 1 1 1 A 49 49 GLU N N 49 120.272 120.871 -0.599 1
1 326 . 1 1 1 A 50 50 ILE H H 50 8.203 7.903 0.300 1
1 327 . 1 1 1 A 50 50 ILE HA H 50 4.419 4.213 0.206 1
1 337 . 1 1 1 A 50 50 ILE CA C 50 58.687 60.644 -1.957 1
1 338 . 1 1 1 A 50 50 ILE CB C 50 38.623 38.361 0.262 1
1 342 . 1 1 1 A 50 50 ILE N N 50 123.785 120.336 3.449 1
1 343 . 1 1 1 A 51 51 PRO HA H 51 4.414 4.584 -0.170 1
1 350 . 1 1 1 A 51 51 PRO C C 51 176.785 176.346 0.439 1
1 351 . 1 1 1 A 51 51 PRO CA C 51 63.188 62.287 0.901 1
1 352 . 1 1 1 A 51 51 PRO CB C 51 32.210 33.118 -0.908 1
1 355 . 1 1 1 A 52 52 ARG H H 52 8.545 8.619 -0.074 1
1 356 . 1 1 1 A 52 52 ARG HA H 52 4.300 4.439 -0.139 1
1 363 . 1 1 1 A 52 52 ARG C C 52 176.985 176.218 0.767 1
1 364 . 1 1 1 A 52 52 ARG CA C 52 56.493 55.219 1.274 1
1 365 . 1 1 1 A 52 52 ARG CB C 52 30.944 28.515 2.429 1
1 368 . 1 1 1 A 52 52 ARG N N 52 122.009 121.419 0.590 1
1 369 . 1 1 1 A 53 53 GLY H H 53 8.504 8.142 0.362 1
1 370 . 1 1 1 A 53 53 GLY HA2 H 53 3.995 3.892 0.103 1
1 371 . 1 1 1 A 53 53 GLY HA3 H 53 3.934 3.892 0.042 1
1 372 . 1 1 1 A 53 53 GLY C C 53 173.562 173.671 -0.109 1
1 373 . 1 1 1 A 53 53 GLY CA C 53 44.990 45.875 -0.885 1
1 374 . 1 1 1 A 53 53 GLY N N 53 110.270 106.876 3.394 1
1 375 . 1 1 1 A 54 54 GLU H H 54 8.216 7.860 0.356 1
1 376 . 1 1 1 A 54 54 GLU HA H 54 4.364 4.801 -0.437 1
1 381 . 1 1 1 A 54 54 GLU C C 54 177.145 175.505 1.640 1
1 382 . 1 1 1 A 54 54 GLU CA C 54 55.883 54.346 1.537 1
1 383 . 1 1 1 A 54 54 GLU CB C 54 30.696 31.189 -0.493 1
1 385 . 1 1 1 A 54 54 GLU N N 54 119.939 117.167 2.772 1
1 386 . 1 1 1 A 55 55 SER H H 55 8.916 8.607 0.309 1
1 387 . 1 1 1 A 55 55 SER HA H 55 4.544 4.626 -0.082 1
1 390 . 1 1 1 A 55 55 SER C C 55 174.434 174.446 -0.012 1
1 391 . 1 1 1 A 55 55 SER CA C 55 58.592 58.771 -0.179 1
1 392 . 1 1 1 A 55 55 SER CB C 55 63.662 63.999 -0.337 1
1 393 . 1 1 1 A 55 55 SER N N 55 118.742 116.827 1.915 1
1 394 . 1 1 1 A 56 56 LEU H H 56 8.598 7.983 0.615 1
1 395 . 1 1 1 A 56 56 LEU HA H 56 4.343 4.804 -0.461 1
1 405 . 1 1 1 A 56 56 LEU C C 56 176.024 176.373 -0.349 1
1 406 . 1 1 1 A 56 56 LEU CA C 56 54.782 52.715 2.067 1
1 407 . 1 1 1 A 56 56 LEU CB C 56 42.106 44.172 -2.066 1
1 411 . 1 1 1 A 56 56 LEU N N 56 125.386 119.290 6.096 1
1 412 . 1 1 1 A 57 57 ASP H H 57 8.211 8.524 -0.313 1
1 413 . 1 1 1 A 57 57 ASP HA H 57 4.545 5.001 -0.456 1
1 416 . 1 1 1 A 57 57 ASP C C 57 176.869 175.687 1.182 1
1 417 . 1 1 1 A 57 57 ASP CA C 57 54.978 53.288 1.690 1
1 418 . 1 1 1 A 57 57 ASP CB C 57 41.477 41.593 -0.116 1
1 419 . 1 1 1 A 57 57 ASP N N 57 115.979 117.979 -2.000 1
1 420 . 1 1 1 A 58 58 GLU H H 58 7.469 7.689 -0.220 1
1 421 . 1 1 1 A 58 58 GLU HA H 58 4.717 4.652 0.065 1
1 426 . 1 1 1 A 58 58 GLU C C 58 174.081 175.182 -1.101 1
1 427 . 1 1 1 A 58 58 GLU CA C 58 54.280 54.910 -0.630 1
1 428 . 1 1 1 A 58 58 GLU CB C 58 32.995 32.094 0.901 1
1 430 . 1 1 1 A 58 58 GLU N N 58 118.912 118.839 0.073 1
1 431 . 1 1 1 A 59 59 CYS H H 59 9.364 8.657 0.707 1
1 432 . 1 1 1 A 59 59 CYS HA H 59 4.248 4.273 -0.025 1
1 435 . 1 1 1 A 59 59 CYS C C 59 178.266 176.317 1.949 1
1 436 . 1 1 1 A 59 59 CYS CA C 59 59.782 60.233 -0.451 1
1 437 . 1 1 1 A 59 59 CYS CB C 59 31.041 29.001 2.040 1
1 438 . 1 1 1 A 59 59 CYS N N 59 124.760 125.374 -0.614 1
1 439 . 1 1 1 A 60 60 GLU H H 60 9.202 8.915 0.287 1
1 440 . 1 1 1 A 60 60 GLU HA H 60 4.202 4.053 0.149 1
1 445 . 1 1 1 A 60 60 GLU C C 60 175.834 178.219 -2.385 1
1 446 . 1 1 1 A 60 60 GLU CA C 60 58.503 58.528 -0.025 1
1 447 . 1 1 1 A 60 60 GLU CB C 60 30.041 29.018 1.023 1
1 449 . 1 1 1 A 60 60 GLU N N 60 130.690 127.249 3.441 1
1 450 . 1 1 1 A 61 61 GLU H H 61 8.751 7.594 1.157 1
1 451 . 1 1 1 A 61 61 GLU HA H 61 4.542 4.278 0.264 1
1 456 . 1 1 1 A 61 61 GLU C C 61 177.312 178.301 -0.989 1
1 457 . 1 1 1 A 61 61 GLU CA C 61 58.094 58.470 -0.376 1
1 458 . 1 1 1 A 61 61 GLU CB C 61 31.037 30.647 0.390 1
1 460 . 1 1 1 A 61 61 GLU N N 61 120.904 118.276 2.628 1
1 461 . 1 1 1 A 62 62 CYS H H 62 8.401 7.358 1.043 1
1 462 . 1 1 1 A 62 62 CYS HA H 62 5.014 4.624 0.390 1
1 465 . 1 1 1 A 62 62 CYS C C 62 177.324 175.590 1.734 1
1 466 . 1 1 1 A 62 62 CYS CA C 62 59.127 58.504 0.623 1
1 467 . 1 1 1 A 62 62 CYS CB C 62 33.355 29.185 4.170 1
1 468 . 1 1 1 A 62 62 CYS N N 62 117.947 114.110 3.837 1
1 469 . 1 1 1 A 63 63 GLY H H 63 8.048 8.028 0.020 1
1 470 . 1 1 1 A 63 63 GLY HA2 H 63 4.234 3.935 0.299 1
1 471 . 1 1 1 A 63 63 GLY HA3 H 63 3.820 3.937 -0.117 1
1 472 . 1 1 1 A 63 63 GLY C C 63 172.914 174.896 -1.982 1
1 473 . 1 1 1 A 63 63 GLY CA C 63 46.163 46.644 -0.481 1
1 474 . 1 1 1 A 63 63 GLY N N 63 113.407 111.353 2.054 1
1 475 . 1 1 1 A 64 64 ALA H H 64 9.148 8.013 1.135 1
1 476 . 1 1 1 A 64 64 ALA HA H 64 4.536 4.470 0.066 1
1 480 . 1 1 1 A 64 64 ALA CA C 64 51.510 50.596 0.914 1
1 481 . 1 1 1 A 64 64 ALA CB C 64 19.099 19.068 0.031 1
1 482 . 1 1 1 A 64 64 ALA N N 64 127.297 123.518 3.779 1
1 483 . 1 1 1 A 65 65 PRO HA H 65 4.583 4.437 0.146 1
1 490 . 1 1 1 A 65 65 PRO C C 65 177.423 177.005 0.418 1
1 491 . 1 1 1 A 65 65 PRO CA C 65 63.020 63.298 -0.278 1
1 492 . 1 1 1 A 65 65 PRO CB C 65 31.832 31.702 0.130 1
1 495 . 1 1 1 A 66 66 ILE H H 66 8.053 7.946 0.107 1
1 496 . 1 1 1 A 66 66 ILE HA H 66 4.330 4.322 0.008 1
1 506 . 1 1 1 A 66 66 ILE CA C 66 58.847 59.867 -1.020 1
1 507 . 1 1 1 A 66 66 ILE CB C 66 38.162 38.240 -0.078 1
1 511 . 1 1 1 A 66 66 ILE N N 66 125.090 123.944 1.146 1
1 512 . 1 1 1 A 67 67 PRO HA H 67 4.447 4.692 -0.245 1
1 519 . 1 1 1 A 67 67 PRO C C 67 177.325 177.868 -0.543 1
1 520 . 1 1 1 A 67 67 PRO CA C 67 62.883 62.338 0.545 1
1 521 . 1 1 1 A 67 67 PRO CB C 67 32.692 32.679 0.013 1
1 524 . 1 1 1 A 68 68 GLN H H 68 8.982 8.598 0.384 1
1 525 . 1 1 1 A 68 68 GLN HA H 68 3.791 3.990 -0.199 1
1 532 . 1 1 1 A 68 68 GLN C C 68 177.316 178.026 -0.710 1
1 533 . 1 1 1 A 68 68 GLN CA C 68 59.491 58.431 1.060 1
1 534 . 1 1 1 A 68 68 GLN CB C 68 27.882 28.080 -0.198 1
1 536 . 1 1 1 A 68 68 GLN N N 68 124.876 122.844 2.032 1
1 538 . 1 1 1 A 69 69 ALA H H 69 8.892 8.356 0.536 1
1 539 . 1 1 1 A 69 69 ALA HA H 69 4.100 4.037 0.063 1
1 543 . 1 1 1 A 69 69 ALA C C 69 180.347 180.006 0.341 1
1 544 . 1 1 1 A 69 69 ALA CA C 69 55.209 55.363 -0.154 1
1 545 . 1 1 1 A 69 69 ALA CB C 69 18.097 18.283 -0.186 1
1 546 . 1 1 1 A 69 69 ALA N N 69 118.268 123.197 -4.929 1
1 547 . 1 1 1 A 70 70 ARG H H 70 7.020 8.167 -1.147 1
1 548 . 1 1 1 A 70 70 ARG HA H 70 4.234 4.059 0.175 1
1 555 . 1 1 1 A 70 70 ARG C C 70 176.438 178.699 -2.261 1
1 556 . 1 1 1 A 70 70 ARG CA C 70 58.791 59.444 -0.653 1
1 557 . 1 1 1 A 70 70 ARG CB C 70 29.544 29.801 -0.257 1
1 560 . 1 1 1 A 70 70 ARG N N 70 119.170 117.378 1.792 1
1 561 . 1 1 1 A 71 71 ARG H H 71 7.754 7.462 0.292 1
1 562 . 1 1 1 A 71 71 ARG HA H 71 3.807 4.141 -0.334 1
1 569 . 1 1 1 A 71 71 ARG C C 71 179.191 178.523 0.668 1
1 570 . 1 1 1 A 71 71 ARG CA C 71 59.782 59.393 0.389 1
1 571 . 1 1 1 A 71 71 ARG CB C 71 30.564 29.967 0.597 1
1 574 . 1 1 1 A 71 71 ARG N N 71 116.460 118.860 -2.400 1
1 575 . 1 1 1 A 72 72 GLU H H 72 8.062 8.031 0.031 1
1 576 . 1 1 1 A 72 72 GLU HA H 72 4.014 4.153 -0.139 1
1 581 . 1 1 1 A 72 72 GLU C C 72 177.357 178.868 -1.511 1
1 582 . 1 1 1 A 72 72 GLU CA C 72 57.860 58.682 -0.822 1
1 583 . 1 1 1 A 72 72 GLU CB C 72 29.978 29.495 0.483 1
1 585 . 1 1 1 A 72 72 GLU N N 72 114.904 118.521 -3.617 1
1 586 . 1 1 1 A 73 73 ALA H H 73 7.686 7.505 0.181 1
1 587 . 1 1 1 A 73 73 ALA HA H 73 4.199 4.221 -0.022 1
1 591 . 1 1 1 A 73 73 ALA C C 73 178.246 177.518 0.728 1
1 592 . 1 1 1 A 73 73 ALA CA C 73 54.110 54.532 -0.422 1
1 593 . 1 1 1 A 73 73 ALA CB C 73 19.546 19.515 0.031 1
1 594 . 1 1 1 A 73 73 ALA N N 73 120.673 121.385 -0.712 1
1 595 . 1 1 1 A 74 74 ILE H H 74 7.609 7.932 -0.323 1
1 596 . 1 1 1 A 74 74 ILE HA H 74 4.318 4.468 -0.150 1
1 606 . 1 1 1 A 74 74 ILE CA C 74 57.722 57.853 -0.131 1
1 607 . 1 1 1 A 74 74 ILE CB C 74 38.313 38.886 -0.573 1
1 611 . 1 1 1 A 74 74 ILE N N 74 117.475 118.063 -0.588 1
1 612 . 1 1 1 A 75 75 PRO HA H 75 4.267 4.310 -0.043 1
1 619 . 1 1 1 A 75 75 PRO C C 75 179.050 177.688 1.362 1
1 620 . 1 1 1 A 75 75 PRO CA C 75 63.966 63.614 0.352 1
1 621 . 1 1 1 A 75 75 PRO CB C 75 31.409 31.270 0.139 1
1 624 . 1 1 1 A 76 76 GLY H H 76 8.594 8.823 -0.229 1
1 625 . 1 1 1 A 76 76 GLY HA2 H 76 4.081 3.925 0.156 1
1 626 . 1 1 1 A 76 76 GLY HA3 H 76 3.402 3.927 -0.525 1
1 627 . 1 1 1 A 76 76 GLY C C 76 174.447 174.665 -0.218 1
1 628 . 1 1 1 A 76 76 GLY CA C 76 45.138 45.625 -0.487 1
1 629 . 1 1 1 A 76 76 GLY N N 76 113.042 112.809 0.233 1
1 630 . 1 1 1 A 77 77 VAL H H 77 8.185 7.795 0.390 1
1 631 . 1 1 1 A 77 77 VAL HA H 77 3.955 4.102 -0.147 1
1 639 . 1 1 1 A 77 77 VAL C C 77 173.122 175.823 -2.701 1
1 640 . 1 1 1 A 77 77 VAL CA C 77 63.160 62.178 0.982 1
1 641 . 1 1 1 A 77 77 VAL CB C 77 30.748 32.580 -1.832 1
1 644 . 1 1 1 A 77 77 VAL N N 77 124.214 120.255 3.959 1
1 645 . 1 1 1 A 78 78 ARG H H 78 8.635 8.711 -0.076 1
1 646 . 1 1 1 A 78 78 ARG HA H 78 4.547 4.713 -0.166 1
1 653 . 1 1 1 A 78 78 ARG C C 78 173.948 175.793 -1.845 1
1 654 . 1 1 1 A 78 78 ARG CA C 78 55.410 55.392 0.018 1
1 655 . 1 1 1 A 78 78 ARG CB C 78 33.618 31.399 2.219 1
1 658 . 1 1 1 A 78 78 ARG N N 78 121.505 124.723 -3.218 1
1 659 . 1 1 1 A 79 79 LEU H H 79 7.037 7.544 -0.507 1
1 660 . 1 1 1 A 79 79 LEU HA H 79 6.078 4.857 1.221 1
1 670 . 1 1 1 A 79 79 LEU C C 79 178.615 176.322 2.293 1
1 671 . 1 1 1 A 79 79 LEU CA C 79 52.286 53.244 -0.958 1
1 672 . 1 1 1 A 79 79 LEU CB C 79 46.763 45.595 1.168 1
1 676 . 1 1 1 A 79 79 LEU N N 79 116.511 120.827 -4.316 1
1 677 . 1 1 1 A 80 80 CYS H H 80 9.639 8.879 0.760 1
1 678 . 1 1 1 A 80 80 CYS HA H 80 4.595 4.575 0.020 1
1 681 . 1 1 1 A 80 80 CYS C C 80 174.898 175.413 -0.515 1
1 682 . 1 1 1 A 80 80 CYS CA C 80 57.983 58.587 -0.604 1
1 683 . 1 1 1 A 80 80 CYS CB C 80 31.306 29.393 1.913 1
1 684 . 1 1 1 A 80 80 CYS N N 80 121.517 123.995 -2.478 1
1 685 . 1 1 1 A 81 81 ILE H H 81 9.215 8.529 0.686 1
1 686 . 1 1 1 A 81 81 ILE HA H 81 3.836 3.852 -0.016 1
1 696 . 1 1 1 A 81 81 ILE C C 81 176.081 177.480 -1.399 1
1 697 . 1 1 1 A 81 81 ILE CA C 81 63.715 64.271 -0.556 1
1 698 . 1 1 1 A 81 81 ILE CB C 81 38.309 37.802 0.507 1
1 702 . 1 1 1 A 81 81 ILE N N 81 119.426 123.097 -3.671 1
1 703 . 1 1 1 A 82 82 HIS H H 82 7.439 7.730 -0.291 1
1 704 . 1 1 1 A 82 82 HIS HA H 82 4.354 4.398 -0.044 1
1 709 . 1 1 1 A 82 82 HIS C C 82 178.603 178.446 0.157 1
1 710 . 1 1 1 A 82 82 HIS CA C 82 59.802 59.436 0.366 1
1 711 . 1 1 1 A 82 82 HIS CB C 82 30.164 29.418 0.746 1
1 714 . 1 1 1 A 82 82 HIS N N 82 122.605 119.540 3.065 1
1 715 . 1 1 1 A 83 83 CYS H H 83 8.960 8.003 0.957 1
1 716 . 1 1 1 A 83 83 CYS HA H 83 3.995 4.285 -0.290 1
1 719 . 1 1 1 A 83 83 CYS C C 83 178.676 177.406 1.270 1
1 720 . 1 1 1 A 83 83 CYS CA C 83 64.648 61.526 3.122 1
1 721 . 1 1 1 A 83 83 CYS CB C 83 29.618 26.526 3.092 1
1 722 . 1 1 1 A 83 83 CYS N N 83 124.742 117.615 7.127 1
1 723 . 1 1 1 A 84 84 GLN H H 84 8.525 7.995 0.530 1
1 724 . 1 1 1 A 84 84 GLN HA H 84 3.812 4.075 -0.263 1
1 731 . 1 1 1 A 84 84 GLN C C 84 177.478 177.923 -0.445 1
1 732 . 1 1 1 A 84 84 GLN CA C 84 58.750 58.928 -0.178 1
1 733 . 1 1 1 A 84 84 GLN CB C 84 28.372 28.701 -0.329 1
1 735 . 1 1 1 A 84 84 GLN N N 84 120.642 121.647 -1.005 1
1 737 . 1 1 1 A 85 85 GLN H H 85 8.100 8.158 -0.058 1
1 738 . 1 1 1 A 85 85 GLN HA H 85 4.117 4.047 0.070 1
1 745 . 1 1 1 A 85 85 GLN C C 85 178.483 177.861 0.622 1
1 746 . 1 1 1 A 85 85 GLN CA C 85 58.857 58.647 0.210 1
1 747 . 1 1 1 A 85 85 GLN CB C 85 28.261 28.482 -0.221 1
1 749 . 1 1 1 A 85 85 GLN N N 85 118.154 117.398 0.756 1
1 751 . 1 1 1 A 86 86 GLU H H 86 7.657 8.395 -0.738 1
1 752 . 1 1 1 A 86 86 GLU HA H 86 4.049 4.079 -0.030 1
1 757 . 1 1 1 A 86 86 GLU C C 86 178.798 178.461 0.337 1
1 758 . 1 1 1 A 86 86 GLU CA C 86 58.852 59.362 -0.510 1
1 759 . 1 1 1 A 86 86 GLU CB C 86 29.716 29.163 0.553 1
1 761 . 1 1 1 A 86 86 GLU N N 86 118.055 118.779 -0.724 1
1 762 . 1 1 1 A 87 87 LYS H H 87 7.799 7.740 0.059 1
1 763 . 1 1 1 A 87 87 LYS HA H 87 4.056 4.156 -0.100 1
1 772 . 1 1 1 A 87 87 LYS C C 87 179.025 179.420 -0.395 1
1 773 . 1 1 1 A 87 87 LYS CA C 87 58.452 58.886 -0.434 1
1 774 . 1 1 1 A 87 87 LYS CB C 87 32.067 32.077 -0.010 1
1 778 . 1 1 1 A 87 87 LYS N N 87 119.741 119.160 0.581 1
1 779 . 1 1 1 A 88 88 ASP H H 88 8.300 8.241 0.059 1
1 780 . 1 1 1 A 88 88 ASP HA H 88 4.461 4.407 0.054 1
1 783 . 1 1 1 A 88 88 ASP C C 88 177.597 178.340 -0.743 1
1 784 . 1 1 1 A 88 88 ASP CA C 88 56.228 56.771 -0.543 1
1 785 . 1 1 1 A 88 88 ASP CB C 88 40.500 41.664 -1.164 1
1 786 . 1 1 1 A 88 88 ASP N N 88 119.700 119.764 -0.064 1
1 787 . 1 1 1 A 89 89 LEU H H 89 7.672 8.220 -0.548 1
1 788 . 1 1 1 A 89 89 LEU HA H 89 4.227 4.019 0.208 1
1 798 . 1 1 1 A 89 89 LEU C C 89 177.757 178.915 -1.158 1
1 799 . 1 1 1 A 89 89 LEU CA C 89 55.938 57.803 -1.865 1
1 800 . 1 1 1 A 89 89 LEU CB C 89 42.267 41.254 1.013 1
1 804 . 1 1 1 A 89 89 LEU N N 89 119.729 119.039 0.690 1
1 805 . 1 1 1 A 90 90 GLN H H 90 7.823 7.614 0.209 1
1 806 . 1 1 1 A 90 90 GLN HA H 90 4.264 4.354 -0.090 1
1 813 . 1 1 1 A 90 90 GLN C C 90 175.896 176.409 -0.513 1
1 814 . 1 1 1 A 90 90 GLN CA C 90 55.828 56.571 -0.743 1
1 815 . 1 1 1 A 90 90 GLN CB C 90 28.871 29.199 -0.328 1
1 817 . 1 1 1 A 90 90 GLN N N 90 118.133 116.032 2.101 1
1 819 . 1 1 1 A 91 91 LYS H H 91 8.016 7.101 0.915 1
1 820 . 1 1 1 A 91 91 LYS HA H 91 4.561 4.396 0.165 1
1 829 . 1 1 1 A 91 91 LYS CA C 91 54.567 54.898 -0.331 1
1 830 . 1 1 1 A 91 91 LYS CB C 91 32.373 32.370 0.003 1
1 834 . 1 1 1 A 91 91 LYS N N 91 122.571 120.395 2.176 1
1 835 . 1 1 1 A 92 92 PRO HA H 92 4.372 4.327 0.045 1
1 842 . 1 1 1 A 92 92 PRO C C 92 176.665 176.993 -0.328 1
1 843 . 1 1 1 A 92 92 PRO CA C 92 63.251 64.585 -1.334 1
1 844 . 1 1 1 A 92 92 PRO CB C 92 32.073 31.498 0.575 1
1 847 . 1 1 1 A 93 93 ALA H H 93 8.364 7.907 0.457 1
1 848 . 1 1 1 A 93 93 ALA HA H 93 4.245 3.982 0.263 1
1 852 . 1 1 1 A 93 93 ALA C C 93 177.504 175.827 1.677 1
1 853 . 1 1 1 A 93 93 ALA CA C 93 52.458 53.538 -1.080 1
1 854 . 1 1 1 A 93 93 ALA CB C 93 19.247 18.104 1.143 1
1 855 . 1 1 1 A 93 93 ALA N N 93 123.718 119.563 4.155 1
1 856 . 1 1 1 A 94 94 TYR H H 94 8.153 7.268 0.885 1
1 857 . 1 1 1 A 94 94 TYR HA H 94 4.626 4.782 -0.156 1
1 864 . 1 1 1 A 94 94 TYR C C 94 176.141 174.969 1.172 1
1 865 . 1 1 1 A 94 94 TYR CA C 94 57.859 56.133 1.726 1
1 866 . 1 1 1 A 94 94 TYR CB C 94 38.793 40.123 -1.330 1
1 871 . 1 1 1 A 94 94 TYR N N 94 119.293 111.779 7.514 1
1 872 . 1 1 1 A 95 95 THR H H 95 8.119 8.542 -0.423 1
1 873 . 1 1 1 A 95 95 THR HA H 95 4.286 4.546 -0.260 1
1 878 . 1 1 1 A 95 95 THR C C 95 174.813 176.230 -1.417 1
1 879 . 1 1 1 A 95 95 THR CA C 95 61.758 62.396 -0.638 1
1 880 . 1 1 1 A 95 95 THR CB C 95 69.860 71.046 -1.186 1
1 882 . 1 1 1 A 95 95 THR N N 95 115.890 112.810 3.080 1
1 883 . 1 1 1 A 96 96 GLY H H 96 7.669 8.366 -0.697 1
1 884 . 1 1 1 A 96 96 GLY HA2 H 96 3.875 4.036 -0.161 1
1 885 . 1 1 1 A 96 96 GLY HA3 H 96 3.822 4.085 -0.263 1
1 886 . 1 1 1 A 96 96 GLY C C 96 173.774 174.336 -0.562 1
1 887 . 1 1 1 A 96 96 GLY CA C 96 45.320 46.524 -1.204 1
1 888 . 1 1 1 A 96 96 GLY N N 96 110.133 112.006 -1.873 1
1 889 . 1 1 1 A 97 97 TYR H H 97 8.028 7.532 0.496 1
1 890 . 1 1 1 A 97 97 TYR HA H 97 4.510 4.637 -0.127 1
1 897 . 1 1 1 A 97 97 TYR CA C 97 58.115 58.043 0.072 1
1 898 . 1 1 1 A 97 97 TYR CB C 97 38.769 40.354 -1.585 1
1 903 . 1 1 1 A 97 97 TYR N N 97 119.945 118.610 1.335 1
1 904 . 1 1 1 A 98 98 ASN HA H 98 4.641 5.164 -0.523 1
1 909 . 1 1 1 A 98 98 ASN C C 98 174.882 173.713 1.169 1
1 910 . 1 1 1 A 98 98 ASN CA C 98 53.067 52.915 0.152 1
1 911 . 1 1 1 A 98 98 ASN CB C 98 38.835 39.564 -0.729 1
1 913 . 1 1 1 A 99 99 ARG H H 99 8.226 9.031 -0.805 1
1 914 . 1 1 1 A 99 99 ARG HA H 99 4.259 4.858 -0.599 1
1 921 . 1 1 1 A 99 99 ARG C C 99 176.406 175.325 1.081 1
1 922 . 1 1 1 A 99 99 ARG CA C 99 56.464 54.664 1.800 1
1 923 . 1 1 1 A 99 99 ARG CB C 99 30.588 31.113 -0.525 1
1 926 . 1 1 1 A 99 99 ARG N N 99 121.620 125.911 -4.291 1
1 927 . 1 1 1 A 100 100 ARG H H 100 8.398 8.570 -0.172 1
1 928 . 1 1 1 A 100 100 ARG N N 100 121.935 124.342 -2.407 1
1 929 . 1 1 1 A 101 101 GLY HA2 H 101 3.835 4.142 -0.307 1
1 930 . 1 1 1 A 101 101 GLY HA3 H 101 3.835 4.143 -0.308 1
1 931 . 1 1 1 A 101 101 GLY CA C 101 43.935 45.690 -1.755 1
1 932 . 1 1 1 A 102 102 SER HA H 102 4.460 5.311 -0.851 1
1 935 . 1 1 1 A 102 102 SER CA C 102 58.458 56.184 2.274 1
1 936 . 1 1 1 A 102 102 SER CB C 102 64.128 65.679 -1.551 1
1 937 . 1 1 1 A 103 103 LYS H H 103 8.524 8.622 -0.098 1
1 938 . 1 1 1 A 103 103 LYS HA H 103 4.305 4.677 -0.372 1
1 947 . 1 1 1 A 103 103 LYS CA C 103 56.788 55.303 1.485 1
1 948 . 1 1 1 A 103 103 LYS CB C 103 32.766 36.579 -3.813 1
1 952 . 1 1 1 A 103 103 LYS N N 103 123.092 124.438 -1.346 1
1 953 . 1 1 1 A 104 104 ASP H H 104 8.316 8.365 -0.049 1
1 954 . 1 1 1 A 104 104 ASP HA H 104 4.612 4.907 -0.295 1
1 957 . 1 1 1 A 104 104 ASP C C 104 176.493 175.438 1.055 1
1 958 . 1 1 1 A 104 104 ASP CA C 104 54.704 53.771 0.933 1
1 959 . 1 1 1 A 104 104 ASP CB C 104 41.277 40.194 1.083 1
1 960 . 1 1 1 A 104 104 ASP N N 104 120.807 123.218 -2.411 1
1 961 . 1 1 1 A 105 105 SER H H 105 8.215 8.602 -0.387 1
1 962 . 1 1 1 A 105 105 SER HA H 105 4.390 5.025 -0.635 1
1 965 . 1 1 1 A 105 105 SER C C 105 174.659 173.439 1.220 1
1 966 . 1 1 1 A 105 105 SER CA C 105 58.889 56.526 2.363 1
1 967 . 1 1 1 A 105 105 SER CB C 105 63.781 63.201 0.580 1
1 968 . 1 1 1 A 105 105 SER N N 105 116.100 117.569 -1.469 1
1 969 . 1 1 1 A 106 106 GLN H H 106 8.396 8.517 -0.121 1
1 970 . 1 1 1 A 106 106 GLN HA H 106 4.344 4.783 -0.439 1
1 977 . 1 1 1 A 106 106 GLN C C 106 175.746 175.032 0.714 1
1 978 . 1 1 1 A 106 106 GLN CA C 106 55.981 54.996 0.985 1
1 979 . 1 1 1 A 106 106 GLN CB C 106 29.351 30.831 -1.480 1
1 981 . 1 1 1 A 106 106 GLN N N 106 121.640 120.545 1.095 1
1 983 . 1 1 1 A 107 107 LEU H H 107 8.172 8.451 -0.279 1
1 984 . 1 1 1 A 107 107 LEU HA H 107 4.348 4.715 -0.367 1
1 994 . 1 1 1 A 107 107 LEU C C 107 176.328 176.448 -0.120 1
1 995 . 1 1 1 A 107 107 LEU CA C 107 55.385 53.312 2.073 1
1 996 . 1 1 1 A 107 107 LEU CB C 107 42.163 41.956 0.207 1
1 1000 . 1 1 1 A 107 107 LEU N N 107 123.200 118.102 5.098 1
1 12 . 2 1 1 A 22 22 ALA H H 22 8.289 8.536 -0.247 1
1 13 . 2 1 1 A 22 22 ALA HA H 22 4.277 3.858 0.419 1
1 17 . 2 1 1 A 22 22 ALA C C 22 177.730 176.084 1.646 1
1 18 . 2 1 1 A 22 22 ALA CA C 22 52.742 53.402 -0.660 1
1 19 . 2 1 1 A 22 22 ALA CB C 22 19.263 17.906 1.357 1
1 20 . 2 1 1 A 22 22 ALA N N 22 125.042 120.556 4.486 1
1 21 . 2 1 1 A 23 23 SER H H 23 8.253 7.890 0.363 1
1 22 . 2 1 1 A 23 23 SER HA H 23 4.374 4.881 -0.507 1
1 25 . 2 1 1 A 23 23 SER C C 23 175.066 173.990 1.076 1
1 26 . 2 1 1 A 23 23 SER CA C 23 58.670 57.534 1.136 1
1 27 . 2 1 1 A 23 23 SER CB C 23 63.822 66.209 -2.387 1
1 28 . 2 1 1 A 23 23 SER N N 23 114.713 111.051 3.662 1
1 29 . 2 1 1 A 24 24 GLY H H 24 8.368 8.557 -0.189 1
1 30 . 2 1 1 A 24 24 GLY HA2 H 24 3.945 3.987 -0.042 1
1 31 . 2 1 1 A 24 24 GLY HA3 H 24 3.886 4.036 -0.150 1
1 32 . 2 1 1 A 24 24 GLY C C 24 173.906 175.215 -1.309 1
1 33 . 2 1 1 A 24 24 GLY CA C 24 45.410 45.883 -0.473 1
1 34 . 2 1 1 A 24 24 GLY N N 24 110.595 114.309 -3.714 1
1 35 . 2 1 1 A 25 25 TRP H H 25 7.961 8.017 -0.056 1
1 36 . 2 1 1 A 25 25 TRP HA H 25 4.632 4.635 -0.003 1
1 45 . 2 1 1 A 25 25 TRP C C 25 175.880 177.198 -1.318 1
1 46 . 2 1 1 A 25 25 TRP CA C 25 57.289 58.395 -1.106 1
1 47 . 2 1 1 A 25 25 TRP CB C 25 29.725 30.510 -0.785 1
1 53 . 2 1 1 A 25 25 TRP N N 25 120.881 120.581 0.300 1
1 55 . 2 1 1 A 26 26 ALA H H 26 8.129 6.910 1.219 1
1 56 . 2 1 1 A 26 26 ALA HA H 26 4.222 4.226 -0.004 1
1 60 . 2 1 1 A 26 26 ALA C C 26 176.977 176.128 0.849 1
1 61 . 2 1 1 A 26 26 ALA CA C 26 52.345 50.961 1.384 1
1 62 . 2 1 1 A 26 26 ALA CB C 26 19.414 19.124 0.290 1
1 63 . 2 1 1 A 26 26 ALA N N 26 125.541 120.173 5.368 1
1 64 . 2 1 1 A 27 27 ASN H H 27 8.139 7.563 0.576 1
1 65 . 2 1 1 A 27 27 ASN HA H 27 4.581 5.218 -0.637 1
1 70 . 2 1 1 A 27 27 ASN C C 27 175.044 173.385 1.659 1
1 71 . 2 1 1 A 27 27 ASN CA C 27 53.260 52.477 0.783 1
1 72 . 2 1 1 A 27 27 ASN CB C 27 39.022 40.518 -1.496 1
1 73 . 2 1 1 A 27 27 ASN N N 27 117.794 113.407 4.387 1
1 75 . 2 1 1 A 28 28 ASP H H 28 8.286 8.468 -0.182 1
1 76 . 2 1 1 A 28 28 ASP HA H 28 4.581 4.946 -0.365 1
1 79 . 2 1 1 A 28 28 ASP C C 28 176.163 175.274 0.889 1
1 80 . 2 1 1 A 28 28 ASP CA C 28 54.629 52.977 1.652 1
1 81 . 2 1 1 A 28 28 ASP CB C 28 41.129 44.329 -3.200 1
1 82 . 2 1 1 A 28 28 ASP N N 28 120.788 122.202 -1.414 1
1 83 . 2 1 1 A 29 29 ASP H H 29 8.287 8.876 -0.589 1
1 84 . 2 1 1 A 29 29 ASP HA H 29 4.546 4.303 0.243 1
1 87 . 2 1 1 A 29 29 ASP C C 29 176.359 177.559 -1.200 1
1 88 . 2 1 1 A 29 29 ASP CA C 29 54.883 56.996 -2.113 1
1 89 . 2 1 1 A 29 29 ASP CB C 29 41.050 40.535 0.515 1
1 90 . 2 1 1 A 29 29 ASP N N 29 120.641 124.034 -3.393 1
1 91 . 2 1 1 A 30 30 ALA H H 30 8.141 7.667 0.474 1
1 92 . 2 1 1 A 30 30 ALA HA H 30 4.278 4.189 0.089 1
1 96 . 2 1 1 A 30 30 ALA C C 30 178.218 178.397 -0.179 1
1 97 . 2 1 1 A 30 30 ALA CA C 30 53.006 53.733 -0.727 1
1 98 . 2 1 1 A 30 30 ALA CB C 30 19.115 18.360 0.755 1
1 99 . 2 1 1 A 30 30 ALA N N 30 123.561 120.432 3.129 1
1 100 . 2 1 1 A 31 31 VAL H H 31 7.996 7.543 0.453 1
1 101 . 2 1 1 A 31 31 VAL HA H 31 4.010 3.839 0.171 1
1 109 . 2 1 1 A 31 31 VAL C C 31 175.417 177.867 -2.450 1
1 110 . 2 1 1 A 31 31 VAL CA C 31 62.896 65.028 -2.132 1
1 111 . 2 1 1 A 31 31 VAL CB C 31 32.567 32.078 0.489 1
1 114 . 2 1 1 A 31 31 VAL N N 31 118.676 116.603 2.073 1
1 115 . 2 1 1 A 32 32 ASN H H 32 8.364 8.078 0.286 1
1 116 . 2 1 1 A 32 32 ASN HA H 32 4.694 4.478 0.216 1
1 121 . 2 1 1 A 32 32 ASN C C 32 174.659 177.285 -2.626 1
1 122 . 2 1 1 A 32 32 ASN CA C 32 53.547 54.849 -1.302 1
1 123 . 2 1 1 A 32 32 ASN CB C 32 38.939 36.717 2.222 1
1 124 . 2 1 1 A 32 32 ASN N N 32 121.518 118.191 3.327 1
1 126 . 2 1 1 A 33 33 GLU H H 33 8.380 8.267 0.113 1
1 127 . 2 1 1 A 33 33 GLU HA H 33 4.240 3.992 0.248 1
1 132 . 2 1 1 A 33 33 GLU C C 33 176.641 179.419 -2.778 1
1 133 . 2 1 1 A 33 33 GLU CA C 33 57.074 59.507 -2.433 1
1 134 . 2 1 1 A 33 33 GLU CB C 33 30.212 29.230 0.982 1
1 136 . 2 1 1 A 33 33 GLU N N 33 121.497 120.117 1.380 1
1 137 . 2 1 1 A 34 34 GLN H H 34 8.333 7.336 0.997 1
1 138 . 2 1 1 A 34 34 GLN HA H 34 4.315 4.092 0.223 1
1 145 . 2 1 1 A 34 34 GLN C C 34 176.325 177.856 -1.531 1
1 146 . 2 1 1 A 34 34 GLN CA C 34 56.232 58.622 -2.390 1
1 147 . 2 1 1 A 34 34 GLN CB C 34 29.304 28.389 0.915 1
1 149 . 2 1 1 A 34 34 GLN N N 34 120.891 119.437 1.454 1
1 151 . 2 1 1 A 35 35 ILE H H 35 8.155 7.488 0.667 1
1 152 . 2 1 1 A 35 35 ILE HA H 35 4.116 4.128 -0.012 1
1 162 . 2 1 1 A 35 35 ILE C C 35 176.203 176.010 0.193 1
1 163 . 2 1 1 A 35 35 ILE CA C 35 61.645 61.460 0.185 1
1 164 . 2 1 1 A 35 35 ILE CB C 35 38.640 38.251 0.389 1
1 168 . 2 1 1 A 35 35 ILE N N 35 121.784 117.856 3.928 1
1 169 . 2 1 1 A 36 36 ASN H H 36 8.504 7.516 0.988 1
1 170 . 2 1 1 A 36 36 ASN HA H 36 4.760 4.682 0.078 1
1 175 . 2 1 1 A 36 36 ASN C C 36 175.468 176.556 -1.088 1
1 176 . 2 1 1 A 36 36 ASN CA C 36 53.504 53.536 -0.032 1
1 177 . 2 1 1 A 36 36 ASN CB C 36 38.947 39.718 -0.771 1
1 178 . 2 1 1 A 36 36 ASN N N 36 122.204 121.810 0.394 1
1 180 . 2 1 1 A 37 37 SER H H 37 8.380 9.124 -0.744 1
1 181 . 2 1 1 A 37 37 SER HA H 37 4.505 4.347 0.158 1
1 184 . 2 1 1 A 37 37 SER C C 37 174.990 176.418 -1.428 1
1 185 . 2 1 1 A 37 37 SER CA C 37 58.963 60.648 -1.685 1
1 186 . 2 1 1 A 37 37 SER CB C 37 63.760 63.005 0.755 1
1 187 . 2 1 1 A 37 37 SER N N 37 116.788 120.457 -3.669 1
1 188 . 2 1 1 A 38 38 THR H H 38 8.302 7.705 0.597 1
1 189 . 2 1 1 A 38 38 THR HA H 38 4.369 3.958 0.411 1
1 194 . 2 1 1 A 38 38 THR C C 38 175.437 176.768 -1.331 1
1 195 . 2 1 1 A 38 38 THR CA C 38 62.751 66.901 -4.150 1
1 196 . 2 1 1 A 38 38 THR CB C 38 69.838 67.989 1.849 1
1 198 . 2 1 1 A 38 38 THR N N 38 116.285 116.195 0.090 1
1 199 . 2 1 1 A 39 39 ILE H H 39 8.153 7.625 0.528 1
1 200 . 2 1 1 A 39 39 ILE HA H 39 4.080 3.528 0.552 1
1 210 . 2 1 1 A 39 39 ILE C C 39 176.850 178.248 -1.398 1
1 211 . 2 1 1 A 39 39 ILE CA C 39 62.295 65.101 -2.806 1
1 212 . 2 1 1 A 39 39 ILE CB C 39 38.373 37.376 0.997 1
1 216 . 2 1 1 A 39 39 ILE N N 39 123.148 121.630 1.518 1
1 217 . 2 1 1 A 40 40 GLU H H 40 8.438 8.561 -0.123 1
1 218 . 2 1 1 A 40 40 GLU HA H 40 4.146 4.017 0.129 1
1 223 . 2 1 1 A 40 40 GLU C C 40 177.573 178.549 -0.976 1
1 224 . 2 1 1 A 40 40 GLU CA C 40 58.026 59.196 -1.170 1
1 225 . 2 1 1 A 40 40 GLU CB C 40 29.870 29.024 0.846 1
1 227 . 2 1 1 A 40 40 GLU N N 40 123.184 120.715 2.469 1
1 228 . 2 1 1 A 41 41 ASP H H 41 8.295 7.835 0.460 1
1 229 . 2 1 1 A 41 41 ASP HA H 41 4.512 4.378 0.134 1
1 232 . 2 1 1 A 41 41 ASP C C 41 176.856 178.195 -1.339 1
1 233 . 2 1 1 A 41 41 ASP CA C 41 55.563 57.364 -1.801 1
1 234 . 2 1 1 A 41 41 ASP CB C 41 41.080 40.944 0.136 1
1 235 . 2 1 1 A 41 41 ASP N N 41 121.311 120.826 0.485 1
1 236 . 2 1 1 A 42 42 ALA H H 42 8.098 7.858 0.240 1
1 237 . 2 1 1 A 42 42 ALA HA H 42 4.153 4.104 0.049 1
1 241 . 2 1 1 A 42 42 ALA C C 42 179.658 180.498 -0.840 1
1 242 . 2 1 1 A 42 42 ALA CA C 42 54.315 55.100 -0.785 1
1 243 . 2 1 1 A 42 42 ALA CB C 42 18.765 18.245 0.520 1
1 244 . 2 1 1 A 42 42 ALA N N 42 123.411 121.119 2.292 1
1 245 . 2 1 1 A 43 43 ILE H H 43 8.047 7.765 0.282 1
1 246 . 2 1 1 A 43 43 ILE HA H 43 3.904 3.770 0.134 1
1 256 . 2 1 1 A 43 43 ILE C C 43 176.603 178.181 -1.578 1
1 257 . 2 1 1 A 43 43 ILE CA C 43 63.028 64.329 -1.301 1
1 258 . 2 1 1 A 43 43 ILE CB C 43 38.140 36.769 1.371 1
1 262 . 2 1 1 A 43 43 ILE N N 43 119.853 118.464 1.389 1
1 263 . 2 1 1 A 44 44 ALA H H 44 8.072 7.959 0.113 1
1 264 . 2 1 1 A 44 44 ALA HA H 44 4.162 3.957 0.205 1
1 268 . 2 1 1 A 44 44 ALA C C 44 179.414 179.443 -0.029 1
1 269 . 2 1 1 A 44 44 ALA CA C 44 54.011 55.329 -1.318 1
1 270 . 2 1 1 A 44 44 ALA CB C 44 18.614 18.250 0.364 1
1 271 . 2 1 1 A 44 44 ALA N N 44 124.814 123.868 0.946 1
1 272 . 2 1 1 A 45 45 ARG H H 45 8.177 7.772 0.405 1
1 273 . 2 1 1 A 45 45 ARG HA H 45 4.187 4.195 -0.008 1
1 280 . 2 1 1 A 45 45 ARG C C 45 177.629 178.473 -0.844 1
1 281 . 2 1 1 A 45 45 ARG CA C 45 57.569 57.303 0.266 1
1 282 . 2 1 1 A 45 45 ARG CB C 45 30.600 30.265 0.335 1
1 285 . 2 1 1 A 45 45 ARG N N 45 118.718 116.266 2.452 1
1 286 . 2 1 1 A 46 46 ALA H H 46 8.004 7.287 0.717 1
1 287 . 2 1 1 A 46 46 ALA HA H 46 4.274 4.083 0.191 1
1 291 . 2 1 1 A 46 46 ALA C C 46 178.519 178.795 -0.276 1
1 292 . 2 1 1 A 46 46 ALA CA C 46 53.339 55.235 -1.896 1
1 293 . 2 1 1 A 46 46 ALA CB C 46 18.827 19.416 -0.589 1
1 294 . 2 1 1 A 46 46 ALA N N 46 123.416 123.143 0.273 1
1 295 . 2 1 1 A 47 47 ARG H H 47 8.082 7.677 0.405 1
1 296 . 2 1 1 A 47 47 ARG HA H 47 4.285 4.486 -0.201 1
1 303 . 2 1 1 A 47 47 ARG C C 47 177.103 176.987 0.116 1
1 304 . 2 1 1 A 47 47 ARG CA C 47 56.871 54.929 1.942 1
1 305 . 2 1 1 A 47 47 ARG CB C 47 30.655 30.994 -0.339 1
1 308 . 2 1 1 A 47 47 ARG N N 47 118.672 112.891 5.781 1
1 309 . 2 1 1 A 48 48 GLY H H 48 8.160 7.478 0.682 1
1 310 . 2 1 1 A 48 48 GLY HA2 H 48 3.976 3.936 0.040 1
1 311 . 2 1 1 A 48 48 GLY HA3 H 48 3.976 3.937 0.039 1
1 312 . 2 1 1 A 48 48 GLY C C 48 174.015 175.104 -1.089 1
1 313 . 2 1 1 A 48 48 GLY CA C 48 45.337 46.399 -1.062 1
1 314 . 2 1 1 A 48 48 GLY N N 48 108.533 109.346 -0.813 1
1 315 . 2 1 1 A 49 49 GLU H H 49 8.113 7.489 0.624 1
1 316 . 2 1 1 A 49 49 GLU HA H 49 4.317 4.076 0.241 1
1 321 . 2 1 1 A 49 49 GLU C C 49 176.216 176.791 -0.575 1
1 322 . 2 1 1 A 49 49 GLU CA C 49 56.125 58.888 -2.763 1
1 323 . 2 1 1 A 49 49 GLU CB C 49 30.497 30.005 0.492 1
1 325 . 2 1 1 A 49 49 GLU N N 49 120.272 120.715 -0.443 1
1 326 . 2 1 1 A 50 50 ILE H H 50 8.203 7.841 0.362 1
1 327 . 2 1 1 A 50 50 ILE HA H 50 4.419 4.205 0.214 1
1 337 . 2 1 1 A 50 50 ILE CA C 50 58.687 59.704 -1.017 1
1 338 . 2 1 1 A 50 50 ILE CB C 50 38.623 38.072 0.551 1
1 342 . 2 1 1 A 50 50 ILE N N 50 123.785 119.688 4.097 1
1 343 . 2 1 1 A 51 51 PRO HA H 51 4.414 4.698 -0.284 1
1 350 . 2 1 1 A 51 51 PRO C C 51 176.785 176.301 0.484 1
1 351 . 2 1 1 A 51 51 PRO CA C 51 63.188 62.337 0.851 1
1 352 . 2 1 1 A 51 51 PRO CB C 51 32.210 32.947 -0.737 1
1 355 . 2 1 1 A 52 52 ARG H H 52 8.545 8.487 0.058 1
1 356 . 2 1 1 A 52 52 ARG HA H 52 4.300 4.403 -0.103 1
1 363 . 2 1 1 A 52 52 ARG C C 52 176.985 176.426 0.559 1
1 364 . 2 1 1 A 52 52 ARG CA C 52 56.493 55.370 1.123 1
1 365 . 2 1 1 A 52 52 ARG CB C 52 30.944 29.358 1.586 1
1 368 . 2 1 1 A 52 52 ARG N N 52 122.009 119.803 2.206 1
1 369 . 2 1 1 A 53 53 GLY H H 53 8.504 7.786 0.718 1
1 370 . 2 1 1 A 53 53 GLY HA2 H 53 3.995 3.943 0.052 1
1 371 . 2 1 1 A 53 53 GLY HA3 H 53 3.934 3.944 -0.010 1
1 372 . 2 1 1 A 53 53 GLY C C 53 173.562 174.204 -0.642 1
1 373 . 2 1 1 A 53 53 GLY CA C 53 44.990 46.042 -1.052 1
1 374 . 2 1 1 A 53 53 GLY N N 53 110.270 108.558 1.712 1
1 375 . 2 1 1 A 54 54 GLU H H 54 8.216 7.968 0.248 1
1 376 . 2 1 1 A 54 54 GLU HA H 54 4.364 4.605 -0.241 1
1 381 . 2 1 1 A 54 54 GLU C C 54 177.145 176.184 0.961 1
1 382 . 2 1 1 A 54 54 GLU CA C 54 55.883 55.189 0.694 1
1 383 . 2 1 1 A 54 54 GLU CB C 54 30.696 30.824 -0.128 1
1 385 . 2 1 1 A 54 54 GLU N N 54 119.939 120.186 -0.247 1
1 386 . 2 1 1 A 55 55 SER H H 55 8.916 8.536 0.380 1
1 387 . 2 1 1 A 55 55 SER HA H 55 4.544 4.668 -0.124 1
1 390 . 2 1 1 A 55 55 SER C C 55 174.434 174.505 -0.071 1
1 391 . 2 1 1 A 55 55 SER CA C 55 58.592 59.264 -0.672 1
1 392 . 2 1 1 A 55 55 SER CB C 55 63.662 63.591 0.071 1
1 393 . 2 1 1 A 55 55 SER N N 55 118.742 120.038 -1.296 1
1 394 . 2 1 1 A 56 56 LEU H H 56 8.598 7.987 0.611 1
1 395 . 2 1 1 A 56 56 LEU HA H 56 4.343 4.622 -0.279 1
1 405 . 2 1 1 A 56 56 LEU C C 56 176.024 177.029 -1.005 1
1 406 . 2 1 1 A 56 56 LEU CA C 56 54.782 53.596 1.186 1
1 407 . 2 1 1 A 56 56 LEU CB C 56 42.106 43.798 -1.692 1
1 411 . 2 1 1 A 56 56 LEU N N 56 125.386 125.474 -0.088 1
1 412 . 2 1 1 A 57 57 ASP H H 57 8.211 8.633 -0.422 1
1 413 . 2 1 1 A 57 57 ASP HA H 57 4.545 4.903 -0.358 1
1 416 . 2 1 1 A 57 57 ASP C C 57 176.869 175.513 1.356 1
1 417 . 2 1 1 A 57 57 ASP CA C 57 54.978 53.444 1.534 1
1 418 . 2 1 1 A 57 57 ASP CB C 57 41.477 41.346 0.131 1
1 419 . 2 1 1 A 57 57 ASP N N 57 115.979 117.323 -1.344 1
1 420 . 2 1 1 A 58 58 GLU H H 58 7.469 7.706 -0.237 1
1 421 . 2 1 1 A 58 58 GLU HA H 58 4.717 4.724 -0.007 1
1 426 . 2 1 1 A 58 58 GLU C C 58 174.081 175.244 -1.163 1
1 427 . 2 1 1 A 58 58 GLU CA C 58 54.280 54.900 -0.620 1
1 428 . 2 1 1 A 58 58 GLU CB C 58 32.995 31.753 1.242 1
1 430 . 2 1 1 A 58 58 GLU N N 58 118.912 118.989 -0.077 1
1 431 . 2 1 1 A 59 59 CYS H H 59 9.364 8.652 0.712 1
1 432 . 2 1 1 A 59 59 CYS HA H 59 4.248 4.287 -0.039 1
1 435 . 2 1 1 A 59 59 CYS C C 59 178.266 176.669 1.597 1
1 436 . 2 1 1 A 59 59 CYS CA C 59 59.782 60.171 -0.389 1
1 437 . 2 1 1 A 59 59 CYS CB C 59 31.041 28.635 2.406 1
1 438 . 2 1 1 A 59 59 CYS N N 59 124.760 125.153 -0.393 1
1 439 . 2 1 1 A 60 60 GLU H H 60 9.202 8.881 0.321 1
1 440 . 2 1 1 A 60 60 GLU HA H 60 4.202 4.133 0.069 1
1 445 . 2 1 1 A 60 60 GLU C C 60 175.834 177.642 -1.808 1
1 446 . 2 1 1 A 60 60 GLU CA C 60 58.503 58.419 0.084 1
1 447 . 2 1 1 A 60 60 GLU CB C 60 30.041 28.583 1.458 1
1 449 . 2 1 1 A 60 60 GLU N N 60 130.690 126.868 3.822 1
1 450 . 2 1 1 A 61 61 GLU H H 61 8.751 7.580 1.171 1
1 451 . 2 1 1 A 61 61 GLU HA H 61 4.542 4.346 0.196 1
1 456 . 2 1 1 A 61 61 GLU C C 61 177.312 178.244 -0.932 1
1 457 . 2 1 1 A 61 61 GLU CA C 61 58.094 58.273 -0.179 1
1 458 . 2 1 1 A 61 61 GLU CB C 61 31.037 30.807 0.230 1
1 460 . 2 1 1 A 61 61 GLU N N 61 120.904 118.398 2.506 1
1 461 . 2 1 1 A 62 62 CYS H H 62 8.401 7.304 1.097 1
1 462 . 2 1 1 A 62 62 CYS HA H 62 5.014 4.617 0.397 1
1 465 . 2 1 1 A 62 62 CYS C C 62 177.324 175.538 1.786 1
1 466 . 2 1 1 A 62 62 CYS CA C 62 59.127 58.439 0.688 1
1 467 . 2 1 1 A 62 62 CYS CB C 62 33.355 29.184 4.171 1
1 468 . 2 1 1 A 62 62 CYS N N 62 117.947 114.120 3.827 1
1 469 . 2 1 1 A 63 63 GLY H H 63 8.048 8.070 -0.022 1
1 470 . 2 1 1 A 63 63 GLY HA2 H 63 4.234 3.953 0.281 1
1 471 . 2 1 1 A 63 63 GLY HA3 H 63 3.820 3.956 -0.136 1
1 472 . 2 1 1 A 63 63 GLY C C 63 172.914 174.805 -1.891 1
1 473 . 2 1 1 A 63 63 GLY CA C 63 46.163 46.388 -0.225 1
1 474 . 2 1 1 A 63 63 GLY N N 63 113.407 111.126 2.281 1
1 475 . 2 1 1 A 64 64 ALA H H 64 9.148 8.069 1.079 1
1 476 . 2 1 1 A 64 64 ALA HA H 64 4.536 4.408 0.128 1
1 480 . 2 1 1 A 64 64 ALA CA C 64 51.510 50.759 0.751 1
1 481 . 2 1 1 A 64 64 ALA CB C 64 19.099 19.252 -0.153 1
1 482 . 2 1 1 A 64 64 ALA N N 64 127.297 123.836 3.461 1
1 483 . 2 1 1 A 65 65 PRO HA H 65 4.583 4.468 0.115 1
1 490 . 2 1 1 A 65 65 PRO C C 65 177.423 176.895 0.528 1
1 491 . 2 1 1 A 65 65 PRO CA C 65 63.020 63.093 -0.073 1
1 492 . 2 1 1 A 65 65 PRO CB C 65 31.832 31.578 0.254 1
1 495 . 2 1 1 A 66 66 ILE H H 66 8.053 8.250 -0.197 1
1 496 . 2 1 1 A 66 66 ILE HA H 66 4.330 4.260 0.070 1
1 506 . 2 1 1 A 66 66 ILE CA C 66 58.847 60.113 -1.266 1
1 507 . 2 1 1 A 66 66 ILE CB C 66 38.162 38.240 -0.078 1
1 511 . 2 1 1 A 66 66 ILE N N 66 125.090 124.155 0.935 1
1 512 . 2 1 1 A 67 67 PRO HA H 67 4.447 4.595 -0.148 1
1 519 . 2 1 1 A 67 67 PRO C C 67 177.325 177.719 -0.394 1
1 520 . 2 1 1 A 67 67 PRO CA C 67 62.883 62.845 0.038 1
1 521 . 2 1 1 A 67 67 PRO CB C 67 32.692 32.437 0.255 1
1 524 . 2 1 1 A 68 68 GLN H H 68 8.982 8.562 0.420 1
1 525 . 2 1 1 A 68 68 GLN HA H 68 3.791 3.969 -0.178 1
1 532 . 2 1 1 A 68 68 GLN C C 68 177.316 178.100 -0.784 1
1 533 . 2 1 1 A 68 68 GLN CA C 68 59.491 58.250 1.241 1
1 534 . 2 1 1 A 68 68 GLN CB C 68 27.882 28.111 -0.229 1
1 536 . 2 1 1 A 68 68 GLN N N 68 124.876 122.209 2.667 1
1 538 . 2 1 1 A 69 69 ALA H H 69 8.892 8.411 0.481 1
1 539 . 2 1 1 A 69 69 ALA HA H 69 4.100 4.012 0.088 1
1 543 . 2 1 1 A 69 69 ALA C C 69 180.347 179.715 0.632 1
1 544 . 2 1 1 A 69 69 ALA CA C 69 55.209 55.300 -0.091 1
1 545 . 2 1 1 A 69 69 ALA CB C 69 18.097 18.306 -0.209 1
1 546 . 2 1 1 A 69 69 ALA N N 69 118.268 123.637 -5.369 1
1 547 . 2 1 1 A 70 70 ARG H H 70 7.020 7.736 -0.716 1
1 548 . 2 1 1 A 70 70 ARG HA H 70 4.234 4.076 0.158 1
1 555 . 2 1 1 A 70 70 ARG C C 70 176.438 178.741 -2.303 1
1 556 . 2 1 1 A 70 70 ARG CA C 70 58.791 59.264 -0.473 1
1 557 . 2 1 1 A 70 70 ARG CB C 70 29.544 29.748 -0.204 1
1 560 . 2 1 1 A 70 70 ARG N N 70 119.170 117.590 1.580 1
1 561 . 2 1 1 A 71 71 ARG H H 71 7.754 7.580 0.174 1
1 562 . 2 1 1 A 71 71 ARG HA H 71 3.807 4.148 -0.341 1
1 569 . 2 1 1 A 71 71 ARG C C 71 179.191 178.402 0.789 1
1 570 . 2 1 1 A 71 71 ARG CA C 71 59.782 59.114 0.668 1
1 571 . 2 1 1 A 71 71 ARG CB C 71 30.564 29.825 0.739 1
1 574 . 2 1 1 A 71 71 ARG N N 71 116.460 118.764 -2.304 1
1 575 . 2 1 1 A 72 72 GLU H H 72 8.062 7.922 0.140 1
1 576 . 2 1 1 A 72 72 GLU HA H 72 4.014 4.132 -0.118 1
1 581 . 2 1 1 A 72 72 GLU C C 72 177.357 178.881 -1.524 1
1 582 . 2 1 1 A 72 72 GLU CA C 72 57.860 59.174 -1.314 1
1 583 . 2 1 1 A 72 72 GLU CB C 72 29.978 29.554 0.424 1
1 585 . 2 1 1 A 72 72 GLU N N 72 114.904 118.329 -3.425 1
1 586 . 2 1 1 A 73 73 ALA H H 73 7.686 7.564 0.122 1
1 587 . 2 1 1 A 73 73 ALA HA H 73 4.199 4.146 0.053 1
1 591 . 2 1 1 A 73 73 ALA C C 73 178.246 177.580 0.666 1
1 592 . 2 1 1 A 73 73 ALA CA C 73 54.110 54.353 -0.243 1
1 593 . 2 1 1 A 73 73 ALA CB C 73 19.546 19.073 0.473 1
1 594 . 2 1 1 A 73 73 ALA N N 73 120.673 120.983 -0.310 1
1 595 . 2 1 1 A 74 74 ILE H H 74 7.609 7.911 -0.302 1
1 596 . 2 1 1 A 74 74 ILE HA H 74 4.318 4.445 -0.127 1
1 606 . 2 1 1 A 74 74 ILE CA C 74 57.722 57.695 0.027 1
1 607 . 2 1 1 A 74 74 ILE CB C 74 38.313 39.657 -1.344 1
1 611 . 2 1 1 A 74 74 ILE N N 74 117.475 117.923 -0.448 1
1 612 . 2 1 1 A 75 75 PRO HA H 75 4.267 4.309 -0.042 1
1 619 . 2 1 1 A 75 75 PRO C C 75 179.050 177.833 1.217 1
1 620 . 2 1 1 A 75 75 PRO CA C 75 63.966 63.946 0.020 1
1 621 . 2 1 1 A 75 75 PRO CB C 75 31.409 31.341 0.068 1
1 624 . 2 1 1 A 76 76 GLY H H 76 8.594 8.718 -0.124 1
1 625 . 2 1 1 A 76 76 GLY HA2 H 76 4.081 3.906 0.175 1
1 626 . 2 1 1 A 76 76 GLY HA3 H 76 3.402 3.906 -0.504 1
1 627 . 2 1 1 A 76 76 GLY C C 76 174.447 174.662 -0.215 1
1 628 . 2 1 1 A 76 76 GLY CA C 76 45.138 46.376 -1.238 1
1 629 . 2 1 1 A 76 76 GLY N N 76 113.042 112.624 0.418 1
1 630 . 2 1 1 A 77 77 VAL H H 77 8.185 7.570 0.615 1
1 631 . 2 1 1 A 77 77 VAL HA H 77 3.955 4.018 -0.063 1
1 639 . 2 1 1 A 77 77 VAL C C 77 173.122 175.789 -2.667 1
1 640 . 2 1 1 A 77 77 VAL CA C 77 63.160 62.368 0.792 1
1 641 . 2 1 1 A 77 77 VAL CB C 77 30.748 32.504 -1.756 1
1 644 . 2 1 1 A 77 77 VAL N N 77 124.214 119.956 4.258 1
1 645 . 2 1 1 A 78 78 ARG H H 78 8.635 8.780 -0.145 1
1 646 . 2 1 1 A 78 78 ARG HA H 78 4.547 4.679 -0.132 1
1 653 . 2 1 1 A 78 78 ARG C C 78 173.948 175.740 -1.792 1
1 654 . 2 1 1 A 78 78 ARG CA C 78 55.410 55.412 -0.002 1
1 655 . 2 1 1 A 78 78 ARG CB C 78 33.618 31.428 2.190 1
1 658 . 2 1 1 A 78 78 ARG N N 78 121.505 125.150 -3.645 1
1 659 . 2 1 1 A 79 79 LEU H H 79 7.037 7.561 -0.524 1
1 660 . 2 1 1 A 79 79 LEU HA H 79 6.078 4.838 1.240 1
1 670 . 2 1 1 A 79 79 LEU C C 79 178.615 176.291 2.324 1
1 671 . 2 1 1 A 79 79 LEU CA C 79 52.286 53.169 -0.883 1
1 672 . 2 1 1 A 79 79 LEU CB C 79 46.763 45.035 1.728 1
1 676 . 2 1 1 A 79 79 LEU N N 79 116.511 121.029 -4.518 1
1 677 . 2 1 1 A 80 80 CYS H H 80 9.639 8.902 0.737 1
1 678 . 2 1 1 A 80 80 CYS HA H 80 4.595 4.578 0.017 1
1 681 . 2 1 1 A 80 80 CYS C C 80 174.898 175.411 -0.513 1
1 682 . 2 1 1 A 80 80 CYS CA C 80 57.983 58.582 -0.599 1
1 683 . 2 1 1 A 80 80 CYS CB C 80 31.306 29.399 1.907 1
1 684 . 2 1 1 A 80 80 CYS N N 80 121.517 124.124 -2.607 1
1 685 . 2 1 1 A 81 81 ILE H H 81 9.215 8.521 0.694 1
1 686 . 2 1 1 A 81 81 ILE HA H 81 3.836 3.857 -0.021 1
1 696 . 2 1 1 A 81 81 ILE C C 81 176.081 177.485 -1.404 1
1 697 . 2 1 1 A 81 81 ILE CA C 81 63.715 64.264 -0.549 1
1 698 . 2 1 1 A 81 81 ILE CB C 81 38.309 37.805 0.504 1
1 702 . 2 1 1 A 81 81 ILE N N 81 119.426 123.127 -3.701 1
1 703 . 2 1 1 A 82 82 HIS H H 82 7.439 7.743 -0.304 1
1 704 . 2 1 1 A 82 82 HIS HA H 82 4.354 4.330 0.024 1
1 709 . 2 1 1 A 82 82 HIS C C 82 178.603 178.006 0.597 1
1 710 . 2 1 1 A 82 82 HIS CA C 82 59.802 59.464 0.338 1
1 711 . 2 1 1 A 82 82 HIS CB C 82 30.164 29.616 0.548 1
1 714 . 2 1 1 A 82 82 HIS N N 82 122.605 119.383 3.222 1
1 715 . 2 1 1 A 83 83 CYS H H 83 8.960 8.200 0.760 1
1 716 . 2 1 1 A 83 83 CYS HA H 83 3.995 4.383 -0.388 1
1 719 . 2 1 1 A 83 83 CYS C C 83 178.676 176.989 1.687 1
1 720 . 2 1 1 A 83 83 CYS CA C 83 64.648 61.544 3.104 1
1 721 . 2 1 1 A 83 83 CYS CB C 83 29.618 26.713 2.905 1
1 722 . 2 1 1 A 83 83 CYS N N 83 124.742 117.933 6.809 1
1 723 . 2 1 1 A 84 84 GLN H H 84 8.525 8.125 0.400 1
1 724 . 2 1 1 A 84 84 GLN HA H 84 3.812 4.075 -0.263 1
1 731 . 2 1 1 A 84 84 GLN C C 84 177.478 178.146 -0.668 1
1 732 . 2 1 1 A 84 84 GLN CA C 84 58.750 58.877 -0.127 1
1 733 . 2 1 1 A 84 84 GLN CB C 84 28.372 28.505 -0.133 1
1 735 . 2 1 1 A 84 84 GLN N N 84 120.642 121.354 -0.712 1
1 737 . 2 1 1 A 85 85 GLN H H 85 8.100 8.143 -0.043 1
1 738 . 2 1 1 A 85 85 GLN HA H 85 4.117 4.070 0.047 1
1 745 . 2 1 1 A 85 85 GLN C C 85 178.483 177.831 0.652 1
1 746 . 2 1 1 A 85 85 GLN CA C 85 58.857 58.660 0.197 1
1 747 . 2 1 1 A 85 85 GLN CB C 85 28.261 28.663 -0.402 1
1 749 . 2 1 1 A 85 85 GLN N N 85 118.154 117.653 0.501 1
1 751 . 2 1 1 A 86 86 GLU H H 86 7.657 8.423 -0.766 1
1 752 . 2 1 1 A 86 86 GLU HA H 86 4.049 4.081 -0.032 1
1 757 . 2 1 1 A 86 86 GLU C C 86 178.798 178.520 0.278 1
1 758 . 2 1 1 A 86 86 GLU CA C 86 58.852 59.411 -0.559 1
1 759 . 2 1 1 A 86 86 GLU CB C 86 29.716 29.206 0.510 1
1 761 . 2 1 1 A 86 86 GLU N N 86 118.055 118.859 -0.804 1
1 762 . 2 1 1 A 87 87 LYS H H 87 7.799 7.980 -0.181 1
1 763 . 2 1 1 A 87 87 LYS HA H 87 4.056 4.160 -0.104 1
1 772 . 2 1 1 A 87 87 LYS C C 87 179.025 179.464 -0.439 1
1 773 . 2 1 1 A 87 87 LYS CA C 87 58.452 58.843 -0.391 1
1 774 . 2 1 1 A 87 87 LYS CB C 87 32.067 32.077 -0.010 1
1 778 . 2 1 1 A 87 87 LYS N N 87 119.741 119.657 0.084 1
1 779 . 2 1 1 A 88 88 ASP H H 88 8.300 8.285 0.015 1
1 780 . 2 1 1 A 88 88 ASP HA H 88 4.461 4.420 0.041 1
1 783 . 2 1 1 A 88 88 ASP C C 88 177.597 177.704 -0.107 1
1 784 . 2 1 1 A 88 88 ASP CA C 88 56.228 56.722 -0.494 1
1 785 . 2 1 1 A 88 88 ASP CB C 88 40.500 41.578 -1.078 1
1 786 . 2 1 1 A 88 88 ASP N N 88 119.700 119.703 -0.003 1
1 787 . 2 1 1 A 89 89 LEU H H 89 7.672 7.657 0.015 1
1 788 . 2 1 1 A 89 89 LEU HA H 89 4.227 4.110 0.117 1
1 798 . 2 1 1 A 89 89 LEU C C 89 177.757 178.067 -0.310 1
1 799 . 2 1 1 A 89 89 LEU CA C 89 55.938 56.761 -0.823 1
1 800 . 2 1 1 A 89 89 LEU CB C 89 42.267 41.698 0.569 1
1 804 . 2 1 1 A 89 89 LEU N N 89 119.729 118.308 1.421 1
1 805 . 2 1 1 A 90 90 GLN H H 90 7.823 7.530 0.293 1
1 806 . 2 1 1 A 90 90 GLN HA H 90 4.264 4.412 -0.148 1
1 813 . 2 1 1 A 90 90 GLN C C 90 175.896 176.259 -0.363 1
1 814 . 2 1 1 A 90 90 GLN CA C 90 55.828 55.747 0.081 1
1 815 . 2 1 1 A 90 90 GLN CB C 90 28.871 29.186 -0.315 1
1 817 . 2 1 1 A 90 90 GLN N N 90 118.133 115.973 2.160 1
1 819 . 2 1 1 A 91 91 LYS H H 91 8.016 6.969 1.047 1
1 820 . 2 1 1 A 91 91 LYS HA H 91 4.561 4.400 0.161 1
1 829 . 2 1 1 A 91 91 LYS CA C 91 54.567 54.774 -0.207 1
1 830 . 2 1 1 A 91 91 LYS CB C 91 32.373 32.489 -0.116 1
1 834 . 2 1 1 A 91 91 LYS N N 91 122.571 120.897 1.674 1
1 835 . 2 1 1 A 92 92 PRO HA H 92 4.372 4.364 0.008 1
1 842 . 2 1 1 A 92 92 PRO C C 92 176.665 177.174 -0.509 1
1 843 . 2 1 1 A 92 92 PRO CA C 92 63.251 65.184 -1.933 1
1 844 . 2 1 1 A 92 92 PRO CB C 92 32.073 31.536 0.537 1
1 847 . 2 1 1 A 93 93 ALA H H 93 8.364 7.962 0.402 1
1 848 . 2 1 1 A 93 93 ALA HA H 93 4.245 3.979 0.266 1
1 852 . 2 1 1 A 93 93 ALA C C 93 177.504 175.534 1.970 1
1 853 . 2 1 1 A 93 93 ALA CA C 93 52.458 53.767 -1.309 1
1 854 . 2 1 1 A 93 93 ALA CB C 93 19.247 18.098 1.149 1
1 855 . 2 1 1 A 93 93 ALA N N 93 123.718 119.422 4.296 1
1 856 . 2 1 1 A 94 94 TYR H H 94 8.153 7.348 0.805 1
1 857 . 2 1 1 A 94 94 TYR HA H 94 4.626 5.399 -0.773 1
1 864 . 2 1 1 A 94 94 TYR C C 94 176.141 173.421 2.720 1
1 865 . 2 1 1 A 94 94 TYR CA C 94 57.859 55.753 2.106 1
1 866 . 2 1 1 A 94 94 TYR CB C 94 38.793 41.403 -2.610 1
1 871 . 2 1 1 A 94 94 TYR N N 94 119.293 112.942 6.351 1
1 872 . 2 1 1 A 95 95 THR H H 95 8.119 9.112 -0.993 1
1 873 . 2 1 1 A 95 95 THR HA H 95 4.286 5.233 -0.947 1
1 878 . 2 1 1 A 95 95 THR C C 95 174.813 173.598 1.215 1
1 879 . 2 1 1 A 95 95 THR CA C 95 61.758 60.767 0.991 1
1 880 . 2 1 1 A 95 95 THR CB C 95 69.860 70.143 -0.283 1
1 882 . 2 1 1 A 95 95 THR N N 95 115.890 112.859 3.031 1
1 883 . 2 1 1 A 96 96 GLY H H 96 7.669 9.132 -1.463 1
1 884 . 2 1 1 A 96 96 GLY HA2 H 96 3.875 4.095 -0.220 1
1 885 . 2 1 1 A 96 96 GLY HA3 H 96 3.822 4.334 -0.512 1
1 886 . 2 1 1 A 96 96 GLY C C 96 173.774 173.545 0.229 1
1 887 . 2 1 1 A 96 96 GLY CA C 96 45.320 46.279 -0.959 1
1 888 . 2 1 1 A 96 96 GLY N N 96 110.133 113.257 -3.124 1
1 889 . 2 1 1 A 97 97 TYR H H 97 8.028 7.448 0.580 1
1 890 . 2 1 1 A 97 97 TYR HA H 97 4.510 5.340 -0.830 1
1 897 . 2 1 1 A 97 97 TYR CA C 97 58.115 55.401 2.714 1
1 898 . 2 1 1 A 97 97 TYR CB C 97 38.769 41.218 -2.449 1
1 903 . 2 1 1 A 97 97 TYR N N 97 119.945 118.471 1.474 1
1 904 . 2 1 1 A 98 98 ASN HA H 98 4.641 4.813 -0.172 1
1 909 . 2 1 1 A 98 98 ASN C C 98 174.882 174.617 0.265 1
1 910 . 2 1 1 A 98 98 ASN CA C 98 53.067 53.353 -0.286 1
1 911 . 2 1 1 A 98 98 ASN CB C 98 38.835 38.252 0.583 1
1 913 . 2 1 1 A 99 99 ARG H H 99 8.226 8.438 -0.212 1
1 914 . 2 1 1 A 99 99 ARG HA H 99 4.259 4.728 -0.469 1
1 921 . 2 1 1 A 99 99 ARG C C 99 176.406 176.265 0.141 1
1 922 . 2 1 1 A 99 99 ARG CA C 99 56.464 55.827 0.637 1
1 923 . 2 1 1 A 99 99 ARG CB C 99 30.588 30.926 -0.338 1
1 926 . 2 1 1 A 99 99 ARG N N 99 121.620 124.281 -2.661 1
1 927 . 2 1 1 A 100 100 ARG H H 100 8.398 8.710 -0.312 1
1 928 . 2 1 1 A 100 100 ARG N N 100 121.935 125.740 -3.805 1
1 929 . 2 1 1 A 101 101 GLY HA2 H 101 3.835 3.907 -0.072 1
1 930 . 2 1 1 A 101 101 GLY HA3 H 101 3.835 3.909 -0.074 1
1 931 . 2 1 1 A 101 101 GLY CA C 101 43.935 46.290 -2.355 1
1 932 . 2 1 1 A 102 102 SER HA H 102 4.460 4.063 0.397 1
1 935 . 2 1 1 A 102 102 SER CA C 102 58.458 59.146 -0.688 1
1 936 . 2 1 1 A 102 102 SER CB C 102 64.128 61.662 2.466 1
1 937 . 2 1 1 A 103 103 LYS H H 103 8.524 7.783 0.741 1
1 938 . 2 1 1 A 103 103 LYS HA H 103 4.305 4.454 -0.149 1
1 947 . 2 1 1 A 103 103 LYS CA C 103 56.788 56.394 0.394 1
1 948 . 2 1 1 A 103 103 LYS CB C 103 32.766 33.429 -0.663 1
1 952 . 2 1 1 A 103 103 LYS N N 103 123.092 121.111 1.981 1
1 953 . 2 1 1 A 104 104 ASP H H 104 8.316 9.049 -0.733 1
1 954 . 2 1 1 A 104 104 ASP HA H 104 4.612 5.407 -0.795 1
1 957 . 2 1 1 A 104 104 ASP C C 104 176.493 175.241 1.252 1
1 958 . 2 1 1 A 104 104 ASP CA C 104 54.704 53.413 1.291 1
1 959 . 2 1 1 A 104 104 ASP CB C 104 41.277 43.289 -2.012 1
1 960 . 2 1 1 A 104 104 ASP N N 104 120.807 125.084 -4.277 1
1 961 . 2 1 1 A 105 105 SER H H 105 8.215 8.985 -0.770 1
1 962 . 2 1 1 A 105 105 SER HA H 105 4.390 4.875 -0.485 1
1 965 . 2 1 1 A 105 105 SER C C 105 174.659 174.113 0.546 1
1 966 . 2 1 1 A 105 105 SER CA C 105 58.889 57.654 1.235 1
1 967 . 2 1 1 A 105 105 SER CB C 105 63.781 64.491 -0.710 1
1 968 . 2 1 1 A 105 105 SER N N 105 116.100 119.765 -3.665 1
1 969 . 2 1 1 A 106 106 GLN H H 106 8.396 7.560 0.836 1
1 970 . 2 1 1 A 106 106 GLN HA H 106 4.344 4.495 -0.151 1
1 977 . 2 1 1 A 106 106 GLN C C 106 175.746 175.578 0.168 1
1 978 . 2 1 1 A 106 106 GLN CA C 106 55.981 55.410 0.571 1
1 979 . 2 1 1 A 106 106 GLN CB C 106 29.351 28.713 0.638 1
1 981 . 2 1 1 A 106 106 GLN N N 106 121.640 121.188 0.452 1
1 983 . 2 1 1 A 107 107 LEU H H 107 8.172 8.276 -0.104 1
1 984 . 2 1 1 A 107 107 LEU HA H 107 4.348 4.477 -0.129 1
1 994 . 2 1 1 A 107 107 LEU C C 107 176.328 176.359 -0.031 1
1 995 . 2 1 1 A 107 107 LEU CA C 107 55.385 54.177 1.208 1
1 996 . 2 1 1 A 107 107 LEU CB C 107 42.163 41.866 0.297 1
1 1000 . 2 1 1 A 107 107 LEU N N 107 123.200 122.976 0.224 1
1 12 . 3 1 1 A 22 22 ALA H H 22 8.289 7.454 0.835 1
1 13 . 3 1 1 A 22 22 ALA HA H 22 4.277 4.167 0.110 1
1 17 . 3 1 1 A 22 22 ALA C C 22 177.730 177.002 0.728 1
1 18 . 3 1 1 A 22 22 ALA CA C 22 52.742 51.795 0.947 1
1 19 . 3 1 1 A 22 22 ALA CB C 22 19.263 19.070 0.193 1
1 20 . 3 1 1 A 22 22 ALA N N 22 125.042 124.418 0.624 1
1 21 . 3 1 1 A 23 23 SER H H 23 8.253 8.764 -0.511 1
1 22 . 3 1 1 A 23 23 SER HA H 23 4.374 5.094 -0.720 1
1 25 . 3 1 1 A 23 23 SER C C 23 175.066 174.891 0.175 1
1 26 . 3 1 1 A 23 23 SER CA C 23 58.670 57.604 1.066 1
1 27 . 3 1 1 A 23 23 SER CB C 23 63.822 66.629 -2.807 1
1 28 . 3 1 1 A 23 23 SER N N 23 114.713 118.596 -3.883 1
1 29 . 3 1 1 A 24 24 GLY H H 24 8.368 8.797 -0.429 1
1 30 . 3 1 1 A 24 24 GLY HA2 H 24 3.945 4.051 -0.106 1
1 31 . 3 1 1 A 24 24 GLY HA3 H 24 3.886 4.095 -0.209 1
1 32 . 3 1 1 A 24 24 GLY C C 24 173.906 175.262 -1.356 1
1 33 . 3 1 1 A 24 24 GLY CA C 24 45.410 45.650 -0.240 1
1 34 . 3 1 1 A 24 24 GLY N N 24 110.595 113.123 -2.528 1
1 35 . 3 1 1 A 25 25 TRP H H 25 7.961 8.500 -0.539 1
1 36 . 3 1 1 A 25 25 TRP HA H 25 4.632 4.449 0.183 1
1 45 . 3 1 1 A 25 25 TRP C C 25 175.880 176.894 -1.014 1
1 46 . 3 1 1 A 25 25 TRP CA C 25 57.289 59.221 -1.932 1
1 47 . 3 1 1 A 25 25 TRP CB C 25 29.725 28.813 0.912 1
1 53 . 3 1 1 A 25 25 TRP N N 25 120.881 121.229 -0.348 1
1 55 . 3 1 1 A 26 26 ALA H H 26 8.129 7.244 0.885 1
1 56 . 3 1 1 A 26 26 ALA HA H 26 4.222 4.229 -0.007 1
1 60 . 3 1 1 A 26 26 ALA C C 26 176.977 176.238 0.739 1
1 61 . 3 1 1 A 26 26 ALA CA C 26 52.345 51.124 1.221 1
1 62 . 3 1 1 A 26 26 ALA CB C 26 19.414 19.609 -0.195 1
1 63 . 3 1 1 A 26 26 ALA N N 26 125.541 120.442 5.099 1
1 64 . 3 1 1 A 27 27 ASN H H 27 8.139 7.674 0.465 1
1 65 . 3 1 1 A 27 27 ASN HA H 27 4.581 5.193 -0.612 1
1 70 . 3 1 1 A 27 27 ASN C C 27 175.044 173.305 1.739 1
1 71 . 3 1 1 A 27 27 ASN CA C 27 53.260 52.379 0.881 1
1 72 . 3 1 1 A 27 27 ASN CB C 27 39.022 40.639 -1.617 1
1 73 . 3 1 1 A 27 27 ASN N N 27 117.794 115.250 2.544 1
1 75 . 3 1 1 A 28 28 ASP H H 28 8.286 8.495 -0.209 1
1 76 . 3 1 1 A 28 28 ASP HA H 28 4.581 5.065 -0.484 1
1 79 . 3 1 1 A 28 28 ASP C C 28 176.163 175.546 0.617 1
1 80 . 3 1 1 A 28 28 ASP CA C 28 54.629 52.946 1.683 1
1 81 . 3 1 1 A 28 28 ASP CB C 28 41.129 44.577 -3.448 1
1 82 . 3 1 1 A 28 28 ASP N N 28 120.788 123.664 -2.876 1
1 83 . 3 1 1 A 29 29 ASP H H 29 8.287 8.781 -0.494 1
1 84 . 3 1 1 A 29 29 ASP HA H 29 4.546 4.287 0.259 1
1 87 . 3 1 1 A 29 29 ASP C C 29 176.359 177.570 -1.211 1
1 88 . 3 1 1 A 29 29 ASP CA C 29 54.883 57.236 -2.353 1
1 89 . 3 1 1 A 29 29 ASP CB C 29 41.050 40.606 0.444 1
1 90 . 3 1 1 A 29 29 ASP N N 29 120.641 124.720 -4.079 1
1 91 . 3 1 1 A 30 30 ALA H H 30 8.141 7.686 0.455 1
1 92 . 3 1 1 A 30 30 ALA HA H 30 4.278 4.183 0.095 1
1 96 . 3 1 1 A 30 30 ALA C C 30 178.218 178.012 0.206 1
1 97 . 3 1 1 A 30 30 ALA CA C 30 53.006 53.778 -0.772 1
1 98 . 3 1 1 A 30 30 ALA CB C 30 19.115 18.348 0.767 1
1 99 . 3 1 1 A 30 30 ALA N N 30 123.561 120.682 2.879 1
1 100 . 3 1 1 A 31 31 VAL H H 31 7.996 7.612 0.384 1
1 101 . 3 1 1 A 31 31 VAL HA H 31 4.010 4.008 0.002 1
1 109 . 3 1 1 A 31 31 VAL C C 31 175.417 177.545 -2.128 1
1 110 . 3 1 1 A 31 31 VAL CA C 31 62.896 64.939 -2.043 1
1 111 . 3 1 1 A 31 31 VAL CB C 31 32.567 32.388 0.179 1
1 114 . 3 1 1 A 31 31 VAL N N 31 118.676 116.282 2.394 1
1 115 . 3 1 1 A 32 32 ASN H H 32 8.364 8.026 0.338 1
1 116 . 3 1 1 A 32 32 ASN HA H 32 4.694 4.492 0.202 1
1 121 . 3 1 1 A 32 32 ASN C C 32 174.659 178.107 -3.448 1
1 122 . 3 1 1 A 32 32 ASN CA C 32 53.547 56.599 -3.052 1
1 123 . 3 1 1 A 32 32 ASN CB C 32 38.939 37.759 1.180 1
1 124 . 3 1 1 A 32 32 ASN N N 32 121.518 119.382 2.136 1
1 126 . 3 1 1 A 33 33 GLU H H 33 8.380 8.317 0.063 1
1 127 . 3 1 1 A 33 33 GLU HA H 33 4.240 4.069 0.171 1
1 132 . 3 1 1 A 33 33 GLU C C 33 176.641 178.889 -2.248 1
1 133 . 3 1 1 A 33 33 GLU CA C 33 57.074 58.620 -1.546 1
1 134 . 3 1 1 A 33 33 GLU CB C 33 30.212 28.276 1.936 1
1 136 . 3 1 1 A 33 33 GLU N N 33 121.497 117.555 3.942 1
1 137 . 3 1 1 A 34 34 GLN H H 34 8.333 7.606 0.727 1
1 138 . 3 1 1 A 34 34 GLN HA H 34 4.315 4.123 0.192 1
1 145 . 3 1 1 A 34 34 GLN C C 34 176.325 177.921 -1.596 1
1 146 . 3 1 1 A 34 34 GLN CA C 34 56.232 58.495 -2.263 1
1 147 . 3 1 1 A 34 34 GLN CB C 34 29.304 28.439 0.865 1
1 149 . 3 1 1 A 34 34 GLN N N 34 120.891 119.998 0.893 1
1 151 . 3 1 1 A 35 35 ILE H H 35 8.155 7.197 0.958 1
1 152 . 3 1 1 A 35 35 ILE HA H 35 4.116 4.138 -0.022 1
1 162 . 3 1 1 A 35 35 ILE C C 35 176.203 176.210 -0.007 1
1 163 . 3 1 1 A 35 35 ILE CA C 35 61.645 62.526 -0.881 1
1 164 . 3 1 1 A 35 35 ILE CB C 35 38.640 38.590 0.050 1
1 168 . 3 1 1 A 35 35 ILE N N 35 121.784 118.046 3.738 1
1 169 . 3 1 1 A 36 36 ASN H H 36 8.504 7.516 0.988 1
1 170 . 3 1 1 A 36 36 ASN HA H 36 4.760 4.701 0.059 1
1 175 . 3 1 1 A 36 36 ASN C C 36 175.468 175.965 -0.497 1
1 176 . 3 1 1 A 36 36 ASN CA C 36 53.504 52.583 0.921 1
1 177 . 3 1 1 A 36 36 ASN CB C 36 38.947 39.731 -0.784 1
1 178 . 3 1 1 A 36 36 ASN N N 36 122.204 121.019 1.185 1
1 180 . 3 1 1 A 37 37 SER H H 37 8.380 8.869 -0.489 1
1 181 . 3 1 1 A 37 37 SER HA H 37 4.505 4.358 0.147 1
1 184 . 3 1 1 A 37 37 SER C C 37 174.990 175.099 -0.109 1
1 185 . 3 1 1 A 37 37 SER CA C 37 58.963 59.647 -0.684 1
1 186 . 3 1 1 A 37 37 SER CB C 37 63.760 62.926 0.834 1
1 187 . 3 1 1 A 37 37 SER N N 37 116.788 119.118 -2.330 1
1 188 . 3 1 1 A 38 38 THR H H 38 8.302 7.795 0.507 1
1 189 . 3 1 1 A 38 38 THR HA H 38 4.369 4.004 0.365 1
1 194 . 3 1 1 A 38 38 THR C C 38 175.437 177.111 -1.674 1
1 195 . 3 1 1 A 38 38 THR CA C 38 62.751 66.491 -3.740 1
1 196 . 3 1 1 A 38 38 THR CB C 38 69.838 68.205 1.633 1
1 198 . 3 1 1 A 38 38 THR N N 38 116.285 115.892 0.393 1
1 199 . 3 1 1 A 39 39 ILE H H 39 8.153 8.110 0.043 1
1 200 . 3 1 1 A 39 39 ILE HA H 39 4.080 3.587 0.493 1
1 210 . 3 1 1 A 39 39 ILE C C 39 176.850 178.146 -1.296 1
1 211 . 3 1 1 A 39 39 ILE CA C 39 62.295 65.272 -2.977 1
1 212 . 3 1 1 A 39 39 ILE CB C 39 38.373 37.685 0.688 1
1 216 . 3 1 1 A 39 39 ILE N N 39 123.148 122.253 0.895 1
1 217 . 3 1 1 A 40 40 GLU H H 40 8.438 8.405 0.033 1
1 218 . 3 1 1 A 40 40 GLU HA H 40 4.146 4.122 0.024 1
1 223 . 3 1 1 A 40 40 GLU C C 40 177.573 178.888 -1.315 1
1 224 . 3 1 1 A 40 40 GLU CA C 40 58.026 58.850 -0.824 1
1 225 . 3 1 1 A 40 40 GLU CB C 40 29.870 29.348 0.522 1
1 227 . 3 1 1 A 40 40 GLU N N 40 123.184 120.431 2.753 1
1 228 . 3 1 1 A 41 41 ASP H H 41 8.295 8.215 0.080 1
1 229 . 3 1 1 A 41 41 ASP HA H 41 4.512 4.436 0.076 1
1 232 . 3 1 1 A 41 41 ASP C C 41 176.856 178.329 -1.473 1
1 233 . 3 1 1 A 41 41 ASP CA C 41 55.563 57.436 -1.873 1
1 234 . 3 1 1 A 41 41 ASP CB C 41 41.080 41.168 -0.088 1
1 235 . 3 1 1 A 41 41 ASP N N 41 121.311 120.826 0.485 1
1 236 . 3 1 1 A 42 42 ALA H H 42 8.098 7.840 0.258 1
1 237 . 3 1 1 A 42 42 ALA HA H 42 4.153 4.077 0.076 1
1 241 . 3 1 1 A 42 42 ALA C C 42 179.658 180.213 -0.555 1
1 242 . 3 1 1 A 42 42 ALA CA C 42 54.315 54.992 -0.677 1
1 243 . 3 1 1 A 42 42 ALA CB C 42 18.765 18.615 0.150 1
1 244 . 3 1 1 A 42 42 ALA N N 42 123.411 121.072 2.339 1
1 245 . 3 1 1 A 43 43 ILE H H 43 8.047 7.500 0.547 1
1 246 . 3 1 1 A 43 43 ILE HA H 43 3.904 3.668 0.236 1
1 256 . 3 1 1 A 43 43 ILE C C 43 176.603 177.836 -1.233 1
1 257 . 3 1 1 A 43 43 ILE CA C 43 63.028 65.392 -2.364 1
1 258 . 3 1 1 A 43 43 ILE CB C 43 38.140 37.914 0.226 1
1 262 . 3 1 1 A 43 43 ILE N N 43 119.853 119.398 0.455 1
1 263 . 3 1 1 A 44 44 ALA H H 44 8.072 8.237 -0.165 1
1 264 . 3 1 1 A 44 44 ALA HA H 44 4.162 4.024 0.138 1
1 268 . 3 1 1 A 44 44 ALA C C 44 179.414 179.516 -0.102 1
1 269 . 3 1 1 A 44 44 ALA CA C 44 54.011 55.709 -1.698 1
1 270 . 3 1 1 A 44 44 ALA CB C 44 18.614 18.372 0.242 1
1 271 . 3 1 1 A 44 44 ALA N N 44 124.814 122.171 2.643 1
1 272 . 3 1 1 A 45 45 ARG H H 45 8.177 7.910 0.267 1
1 273 . 3 1 1 A 45 45 ARG HA H 45 4.187 4.116 0.071 1
1 280 . 3 1 1 A 45 45 ARG C C 45 177.629 178.422 -0.793 1
1 281 . 3 1 1 A 45 45 ARG CA C 45 57.569 58.418 -0.849 1
1 282 . 3 1 1 A 45 45 ARG CB C 45 30.600 29.799 0.801 1
1 285 . 3 1 1 A 45 45 ARG N N 45 118.718 116.652 2.066 1
1 286 . 3 1 1 A 46 46 ALA H H 46 8.004 7.278 0.726 1
1 287 . 3 1 1 A 46 46 ALA HA H 46 4.274 4.054 0.220 1
1 291 . 3 1 1 A 46 46 ALA C C 46 178.519 179.127 -0.608 1
1 292 . 3 1 1 A 46 46 ALA CA C 46 53.339 55.298 -1.959 1
1 293 . 3 1 1 A 46 46 ALA CB C 46 18.827 18.949 -0.122 1
1 294 . 3 1 1 A 46 46 ALA N N 46 123.416 122.095 1.321 1
1 295 . 3 1 1 A 47 47 ARG H H 47 8.082 7.751 0.331 1
1 296 . 3 1 1 A 47 47 ARG HA H 47 4.285 4.499 -0.214 1
1 303 . 3 1 1 A 47 47 ARG C C 47 177.103 177.417 -0.314 1
1 304 . 3 1 1 A 47 47 ARG CA C 47 56.871 55.129 1.742 1
1 305 . 3 1 1 A 47 47 ARG CB C 47 30.655 32.269 -1.614 1
1 308 . 3 1 1 A 47 47 ARG N N 47 118.672 112.733 5.939 1
1 309 . 3 1 1 A 48 48 GLY H H 48 8.160 7.700 0.460 1
1 310 . 3 1 1 A 48 48 GLY HA2 H 48 3.976 3.975 0.001 1
1 311 . 3 1 1 A 48 48 GLY HA3 H 48 3.976 3.976 0.000 1
1 312 . 3 1 1 A 48 48 GLY C C 48 174.015 174.821 -0.806 1
1 313 . 3 1 1 A 48 48 GLY CA C 48 45.337 46.357 -1.020 1
1 314 . 3 1 1 A 48 48 GLY N N 48 108.533 108.960 -0.427 1
1 315 . 3 1 1 A 49 49 GLU H H 49 8.113 7.940 0.173 1
1 316 . 3 1 1 A 49 49 GLU HA H 49 4.317 4.251 0.066 1
1 321 . 3 1 1 A 49 49 GLU C C 49 176.216 176.657 -0.441 1
1 322 . 3 1 1 A 49 49 GLU CA C 49 56.125 58.148 -2.023 1
1 323 . 3 1 1 A 49 49 GLU CB C 49 30.497 30.733 -0.236 1
1 325 . 3 1 1 A 49 49 GLU N N 49 120.272 120.381 -0.109 1
1 326 . 3 1 1 A 50 50 ILE H H 50 8.203 7.715 0.488 1
1 327 . 3 1 1 A 50 50 ILE HA H 50 4.419 4.231 0.188 1
1 337 . 3 1 1 A 50 50 ILE CA C 50 58.687 59.512 -0.825 1
1 338 . 3 1 1 A 50 50 ILE CB C 50 38.623 38.029 0.594 1
1 342 . 3 1 1 A 50 50 ILE N N 50 123.785 120.288 3.497 1
1 343 . 3 1 1 A 51 51 PRO HA H 51 4.414 4.687 -0.273 1
1 350 . 3 1 1 A 51 51 PRO C C 51 176.785 175.851 0.934 1
1 351 . 3 1 1 A 51 51 PRO CA C 51 63.188 62.225 0.963 1
1 352 . 3 1 1 A 51 51 PRO CB C 51 32.210 33.001 -0.791 1
1 355 . 3 1 1 A 52 52 ARG H H 52 8.545 8.536 0.009 1
1 356 . 3 1 1 A 52 52 ARG HA H 52 4.300 4.426 -0.126 1
1 363 . 3 1 1 A 52 52 ARG C C 52 176.985 176.919 0.066 1
1 364 . 3 1 1 A 52 52 ARG CA C 52 56.493 55.367 1.126 1
1 365 . 3 1 1 A 52 52 ARG CB C 52 30.944 28.338 2.606 1
1 368 . 3 1 1 A 52 52 ARG N N 52 122.009 120.674 1.335 1
1 369 . 3 1 1 A 53 53 GLY H H 53 8.504 8.373 0.131 1
1 370 . 3 1 1 A 53 53 GLY HA2 H 53 3.995 3.977 0.018 1
1 371 . 3 1 1 A 53 53 GLY HA3 H 53 3.934 3.977 -0.043 1
1 372 . 3 1 1 A 53 53 GLY C C 53 173.562 173.376 0.186 1
1 373 . 3 1 1 A 53 53 GLY CA C 53 44.990 45.601 -0.611 1
1 374 . 3 1 1 A 53 53 GLY N N 53 110.270 112.607 -2.337 1
1 375 . 3 1 1 A 54 54 GLU H H 54 8.216 7.670 0.546 1
1 376 . 3 1 1 A 54 54 GLU HA H 54 4.364 4.645 -0.281 1
1 381 . 3 1 1 A 54 54 GLU C C 54 177.145 175.180 1.965 1
1 382 . 3 1 1 A 54 54 GLU CA C 54 55.883 55.364 0.519 1
1 383 . 3 1 1 A 54 54 GLU CB C 54 30.696 29.958 0.738 1
1 385 . 3 1 1 A 54 54 GLU N N 54 119.939 116.341 3.598 1
1 386 . 3 1 1 A 55 55 SER H H 55 8.916 8.546 0.370 1
1 387 . 3 1 1 A 55 55 SER HA H 55 4.544 4.434 0.110 1
1 390 . 3 1 1 A 55 55 SER C C 55 174.434 174.409 0.025 1
1 391 . 3 1 1 A 55 55 SER CA C 55 58.592 59.490 -0.898 1
1 392 . 3 1 1 A 55 55 SER CB C 55 63.662 64.298 -0.636 1
1 393 . 3 1 1 A 55 55 SER N N 55 118.742 116.704 2.038 1
1 394 . 3 1 1 A 56 56 LEU H H 56 8.598 8.082 0.516 1
1 395 . 3 1 1 A 56 56 LEU HA H 56 4.343 4.956 -0.613 1
1 405 . 3 1 1 A 56 56 LEU C C 56 176.024 176.029 -0.005 1
1 406 . 3 1 1 A 56 56 LEU CA C 56 54.782 52.703 2.079 1
1 407 . 3 1 1 A 56 56 LEU CB C 56 42.106 45.025 -2.919 1
1 411 . 3 1 1 A 56 56 LEU N N 56 125.386 120.820 4.566 1
1 412 . 3 1 1 A 57 57 ASP H H 57 8.211 8.700 -0.489 1
1 413 . 3 1 1 A 57 57 ASP HA H 57 4.545 4.955 -0.410 1
1 416 . 3 1 1 A 57 57 ASP C C 57 176.869 174.837 2.032 1
1 417 . 3 1 1 A 57 57 ASP CA C 57 54.978 54.060 0.918 1
1 418 . 3 1 1 A 57 57 ASP CB C 57 41.477 41.750 -0.273 1
1 419 . 3 1 1 A 57 57 ASP N N 57 115.979 116.407 -0.428 1
1 420 . 3 1 1 A 58 58 GLU H H 58 7.469 7.725 -0.256 1
1 421 . 3 1 1 A 58 58 GLU HA H 58 4.717 4.873 -0.156 1
1 426 . 3 1 1 A 58 58 GLU C C 58 174.081 175.243 -1.162 1
1 427 . 3 1 1 A 58 58 GLU CA C 58 54.280 55.081 -0.801 1
1 428 . 3 1 1 A 58 58 GLU CB C 58 32.995 31.437 1.558 1
1 430 . 3 1 1 A 58 58 GLU N N 58 118.912 117.950 0.962 1
1 431 . 3 1 1 A 59 59 CYS H H 59 9.364 8.766 0.598 1
1 432 . 3 1 1 A 59 59 CYS HA H 59 4.248 4.281 -0.033 1
1 435 . 3 1 1 A 59 59 CYS C C 59 178.266 176.304 1.962 1
1 436 . 3 1 1 A 59 59 CYS CA C 59 59.782 60.238 -0.456 1
1 437 . 3 1 1 A 59 59 CYS CB C 59 31.041 28.802 2.239 1
1 438 . 3 1 1 A 59 59 CYS N N 59 124.760 125.234 -0.474 1
1 439 . 3 1 1 A 60 60 GLU H H 60 9.202 8.884 0.318 1
1 440 . 3 1 1 A 60 60 GLU HA H 60 4.202 4.051 0.151 1
1 445 . 3 1 1 A 60 60 GLU C C 60 175.834 178.044 -2.210 1
1 446 . 3 1 1 A 60 60 GLU CA C 60 58.503 58.626 -0.123 1
1 447 . 3 1 1 A 60 60 GLU CB C 60 30.041 29.129 0.912 1
1 449 . 3 1 1 A 60 60 GLU N N 60 130.690 127.140 3.550 1
1 450 . 3 1 1 A 61 61 GLU H H 61 8.751 7.683 1.068 1
1 451 . 3 1 1 A 61 61 GLU HA H 61 4.542 4.273 0.269 1
1 456 . 3 1 1 A 61 61 GLU C C 61 177.312 178.163 -0.851 1
1 457 . 3 1 1 A 61 61 GLU CA C 61 58.094 58.762 -0.668 1
1 458 . 3 1 1 A 61 61 GLU CB C 61 31.037 30.683 0.354 1
1 460 . 3 1 1 A 61 61 GLU N N 61 120.904 118.493 2.411 1
1 461 . 3 1 1 A 62 62 CYS H H 62 8.401 7.769 0.632 1
1 462 . 3 1 1 A 62 62 CYS HA H 62 5.014 4.546 0.468 1
1 465 . 3 1 1 A 62 62 CYS C C 62 177.324 175.221 2.103 1
1 466 . 3 1 1 A 62 62 CYS CA C 62 59.127 59.623 -0.496 1
1 467 . 3 1 1 A 62 62 CYS CB C 62 33.355 29.290 4.065 1
1 468 . 3 1 1 A 62 62 CYS N N 62 117.947 115.585 2.362 1
1 469 . 3 1 1 A 63 63 GLY H H 63 8.048 8.176 -0.128 1
1 470 . 3 1 1 A 63 63 GLY HA2 H 63 4.234 3.928 0.306 1
1 471 . 3 1 1 A 63 63 GLY HA3 H 63 3.820 3.930 -0.110 1
1 472 . 3 1 1 A 63 63 GLY C C 63 172.914 174.910 -1.996 1
1 473 . 3 1 1 A 63 63 GLY CA C 63 46.163 46.600 -0.437 1
1 474 . 3 1 1 A 63 63 GLY N N 63 113.407 110.103 3.304 1
1 475 . 3 1 1 A 64 64 ALA H H 64 9.148 7.986 1.162 1
1 476 . 3 1 1 A 64 64 ALA HA H 64 4.536 4.554 -0.018 1
1 480 . 3 1 1 A 64 64 ALA CA C 64 51.510 50.607 0.903 1
1 481 . 3 1 1 A 64 64 ALA CB C 64 19.099 19.444 -0.345 1
1 482 . 3 1 1 A 64 64 ALA N N 64 127.297 123.198 4.099 1
1 483 . 3 1 1 A 65 65 PRO HA H 65 4.583 4.723 -0.140 1
1 490 . 3 1 1 A 65 65 PRO C C 65 177.423 176.968 0.455 1
1 491 . 3 1 1 A 65 65 PRO CA C 65 63.020 62.987 0.033 1
1 492 . 3 1 1 A 65 65 PRO CB C 65 31.832 31.424 0.408 1
1 495 . 3 1 1 A 66 66 ILE H H 66 8.053 8.166 -0.113 1
1 496 . 3 1 1 A 66 66 ILE HA H 66 4.330 4.190 0.140 1
1 506 . 3 1 1 A 66 66 ILE CA C 66 58.847 60.485 -1.638 1
1 507 . 3 1 1 A 66 66 ILE CB C 66 38.162 38.446 -0.284 1
1 511 . 3 1 1 A 66 66 ILE N N 66 125.090 124.000 1.090 1
1 512 . 3 1 1 A 67 67 PRO HA H 67 4.447 4.621 -0.174 1
1 519 . 3 1 1 A 67 67 PRO C C 67 177.325 177.738 -0.413 1
1 520 . 3 1 1 A 67 67 PRO CA C 67 62.883 62.588 0.295 1
1 521 . 3 1 1 A 67 67 PRO CB C 67 32.692 32.718 -0.026 1
1 524 . 3 1 1 A 68 68 GLN H H 68 8.982 8.610 0.372 1
1 525 . 3 1 1 A 68 68 GLN HA H 68 3.791 3.966 -0.175 1
1 532 . 3 1 1 A 68 68 GLN C C 68 177.316 178.214 -0.898 1
1 533 . 3 1 1 A 68 68 GLN CA C 68 59.491 58.247 1.244 1
1 534 . 3 1 1 A 68 68 GLN CB C 68 27.882 28.082 -0.200 1
1 536 . 3 1 1 A 68 68 GLN N N 68 124.876 122.259 2.617 1
1 538 . 3 1 1 A 69 69 ALA H H 69 8.892 8.445 0.447 1
1 539 . 3 1 1 A 69 69 ALA HA H 69 4.100 4.014 0.086 1
1 543 . 3 1 1 A 69 69 ALA C C 69 180.347 179.664 0.683 1
1 544 . 3 1 1 A 69 69 ALA CA C 69 55.209 55.081 0.128 1
1 545 . 3 1 1 A 69 69 ALA CB C 69 18.097 18.229 -0.132 1
1 546 . 3 1 1 A 69 69 ALA N N 69 118.268 123.612 -5.344 1
1 547 . 3 1 1 A 70 70 ARG H H 70 7.020 7.558 -0.538 1
1 548 . 3 1 1 A 70 70 ARG HA H 70 4.234 4.095 0.139 1
1 555 . 3 1 1 A 70 70 ARG C C 70 176.438 178.732 -2.294 1
1 556 . 3 1 1 A 70 70 ARG CA C 70 58.791 59.252 -0.461 1
1 557 . 3 1 1 A 70 70 ARG CB C 70 29.544 29.693 -0.149 1
1 560 . 3 1 1 A 70 70 ARG N N 70 119.170 117.423 1.747 1
1 561 . 3 1 1 A 71 71 ARG H H 71 7.754 7.532 0.222 1
1 562 . 3 1 1 A 71 71 ARG HA H 71 3.807 4.144 -0.337 1
1 569 . 3 1 1 A 71 71 ARG C C 71 179.191 178.701 0.490 1
1 570 . 3 1 1 A 71 71 ARG CA C 71 59.782 59.600 0.182 1
1 571 . 3 1 1 A 71 71 ARG CB C 71 30.564 29.905 0.659 1
1 574 . 3 1 1 A 71 71 ARG N N 71 116.460 118.949 -2.489 1
1 575 . 3 1 1 A 72 72 GLU H H 72 8.062 8.196 -0.134 1
1 576 . 3 1 1 A 72 72 GLU HA H 72 4.014 4.092 -0.078 1
1 581 . 3 1 1 A 72 72 GLU C C 72 177.357 178.789 -1.432 1
1 582 . 3 1 1 A 72 72 GLU CA C 72 57.860 59.460 -1.600 1
1 583 . 3 1 1 A 72 72 GLU CB C 72 29.978 29.174 0.804 1
1 585 . 3 1 1 A 72 72 GLU N N 72 114.904 118.716 -3.812 1
1 586 . 3 1 1 A 73 73 ALA H H 73 7.686 7.588 0.098 1
1 587 . 3 1 1 A 73 73 ALA HA H 73 4.199 4.144 0.055 1
1 591 . 3 1 1 A 73 73 ALA C C 73 178.246 177.491 0.755 1
1 592 . 3 1 1 A 73 73 ALA CA C 73 54.110 53.936 0.174 1
1 593 . 3 1 1 A 73 73 ALA CB C 73 19.546 18.698 0.848 1
1 594 . 3 1 1 A 73 73 ALA N N 73 120.673 120.786 -0.113 1
1 595 . 3 1 1 A 74 74 ILE H H 74 7.609 7.685 -0.076 1
1 596 . 3 1 1 A 74 74 ILE HA H 74 4.318 4.526 -0.208 1
1 606 . 3 1 1 A 74 74 ILE CA C 74 57.722 57.927 -0.205 1
1 607 . 3 1 1 A 74 74 ILE CB C 74 38.313 39.200 -0.887 1
1 611 . 3 1 1 A 74 74 ILE N N 74 117.475 118.310 -0.835 1
1 612 . 3 1 1 A 75 75 PRO HA H 75 4.267 4.503 -0.236 1
1 619 . 3 1 1 A 75 75 PRO C C 75 179.050 177.852 1.198 1
1 620 . 3 1 1 A 75 75 PRO CA C 75 63.966 62.784 1.182 1
1 621 . 3 1 1 A 75 75 PRO CB C 75 31.409 29.744 1.665 1
1 624 . 3 1 1 A 76 76 GLY H H 76 8.594 8.853 -0.259 1
1 625 . 3 1 1 A 76 76 GLY HA2 H 76 4.081 4.040 0.041 1
1 626 . 3 1 1 A 76 76 GLY HA3 H 76 3.402 4.040 -0.638 1
1 627 . 3 1 1 A 76 76 GLY C C 76 174.447 174.604 -0.157 1
1 628 . 3 1 1 A 76 76 GLY CA C 76 45.138 45.095 0.043 1
1 629 . 3 1 1 A 76 76 GLY N N 76 113.042 112.696 0.346 1
1 630 . 3 1 1 A 77 77 VAL H H 77 8.185 7.506 0.679 1
1 631 . 3 1 1 A 77 77 VAL HA H 77 3.955 4.127 -0.172 1
1 639 . 3 1 1 A 77 77 VAL C C 77 173.122 175.844 -2.722 1
1 640 . 3 1 1 A 77 77 VAL CA C 77 63.160 62.103 1.057 1
1 641 . 3 1 1 A 77 77 VAL CB C 77 30.748 32.471 -1.723 1
1 644 . 3 1 1 A 77 77 VAL N N 77 124.214 120.589 3.625 1
1 645 . 3 1 1 A 78 78 ARG H H 78 8.635 8.737 -0.102 1
1 646 . 3 1 1 A 78 78 ARG HA H 78 4.547 4.724 -0.177 1
1 653 . 3 1 1 A 78 78 ARG C C 78 173.948 175.821 -1.873 1
1 654 . 3 1 1 A 78 78 ARG CA C 78 55.410 55.393 0.017 1
1 655 . 3 1 1 A 78 78 ARG CB C 78 33.618 31.485 2.133 1
1 658 . 3 1 1 A 78 78 ARG N N 78 121.505 124.301 -2.796 1
1 659 . 3 1 1 A 79 79 LEU H H 79 7.037 7.601 -0.564 1
1 660 . 3 1 1 A 79 79 LEU HA H 79 6.078 4.836 1.242 1
1 670 . 3 1 1 A 79 79 LEU C C 79 178.615 176.299 2.316 1
1 671 . 3 1 1 A 79 79 LEU CA C 79 52.286 53.069 -0.783 1
1 672 . 3 1 1 A 79 79 LEU CB C 79 46.763 45.595 1.168 1
1 676 . 3 1 1 A 79 79 LEU N N 79 116.511 120.836 -4.325 1
1 677 . 3 1 1 A 80 80 CYS H H 80 9.639 8.566 1.073 1
1 678 . 3 1 1 A 80 80 CYS HA H 80 4.595 4.594 0.001 1
1 681 . 3 1 1 A 80 80 CYS C C 80 174.898 175.459 -0.561 1
1 682 . 3 1 1 A 80 80 CYS CA C 80 57.983 58.339 -0.356 1
1 683 . 3 1 1 A 80 80 CYS CB C 80 31.306 29.769 1.537 1
1 684 . 3 1 1 A 80 80 CYS N N 80 121.517 122.683 -1.166 1
1 685 . 3 1 1 A 81 81 ILE H H 81 9.215 8.527 0.688 1
1 686 . 3 1 1 A 81 81 ILE HA H 81 3.836 3.809 0.027 1
1 696 . 3 1 1 A 81 81 ILE C C 81 176.081 177.545 -1.464 1
1 697 . 3 1 1 A 81 81 ILE CA C 81 63.715 64.398 -0.683 1
1 698 . 3 1 1 A 81 81 ILE CB C 81 38.309 37.675 0.634 1
1 702 . 3 1 1 A 81 81 ILE N N 81 119.426 122.704 -3.278 1
1 703 . 3 1 1 A 82 82 HIS H H 82 7.439 7.948 -0.509 1
1 704 . 3 1 1 A 82 82 HIS HA H 82 4.354 4.338 0.016 1
1 709 . 3 1 1 A 82 82 HIS C C 82 178.603 178.009 0.594 1
1 710 . 3 1 1 A 82 82 HIS CA C 82 59.802 59.760 0.042 1
1 711 . 3 1 1 A 82 82 HIS CB C 82 30.164 29.503 0.661 1
1 714 . 3 1 1 A 82 82 HIS N N 82 122.605 120.068 2.537 1
1 715 . 3 1 1 A 83 83 CYS H H 83 8.960 8.140 0.820 1
1 716 . 3 1 1 A 83 83 CYS HA H 83 3.995 4.274 -0.279 1
1 719 . 3 1 1 A 83 83 CYS C C 83 178.676 177.209 1.467 1
1 720 . 3 1 1 A 83 83 CYS CA C 83 64.648 62.458 2.190 1
1 721 . 3 1 1 A 83 83 CYS CB C 83 29.618 26.948 2.670 1
1 722 . 3 1 1 A 83 83 CYS N N 83 124.742 118.000 6.742 1
1 723 . 3 1 1 A 84 84 GLN H H 84 8.525 8.206 0.319 1
1 724 . 3 1 1 A 84 84 GLN HA H 84 3.812 4.006 -0.194 1
1 731 . 3 1 1 A 84 84 GLN C C 84 177.478 178.120 -0.642 1
1 732 . 3 1 1 A 84 84 GLN CA C 84 58.750 59.033 -0.283 1
1 733 . 3 1 1 A 84 84 GLN CB C 84 28.372 28.454 -0.082 1
1 735 . 3 1 1 A 84 84 GLN N N 84 120.642 121.714 -1.072 1
1 737 . 3 1 1 A 85 85 GLN H H 85 8.100 8.178 -0.078 1
1 738 . 3 1 1 A 85 85 GLN HA H 85 4.117 4.060 0.057 1
1 745 . 3 1 1 A 85 85 GLN C C 85 178.483 177.679 0.804 1
1 746 . 3 1 1 A 85 85 GLN CA C 85 58.857 58.755 0.102 1
1 747 . 3 1 1 A 85 85 GLN CB C 85 28.261 28.701 -0.440 1
1 749 . 3 1 1 A 85 85 GLN N N 85 118.154 117.656 0.498 1
1 751 . 3 1 1 A 86 86 GLU H H 86 7.657 8.318 -0.661 1
1 752 . 3 1 1 A 86 86 GLU HA H 86 4.049 4.092 -0.043 1
1 757 . 3 1 1 A 86 86 GLU C C 86 178.798 178.266 0.532 1
1 758 . 3 1 1 A 86 86 GLU CA C 86 58.852 59.385 -0.533 1
1 759 . 3 1 1 A 86 86 GLU CB C 86 29.716 29.149 0.567 1
1 761 . 3 1 1 A 86 86 GLU N N 86 118.055 118.849 -0.794 1
1 762 . 3 1 1 A 87 87 LYS H H 87 7.799 7.642 0.157 1
1 763 . 3 1 1 A 87 87 LYS HA H 87 4.056 4.179 -0.123 1
1 772 . 3 1 1 A 87 87 LYS C C 87 179.025 179.119 -0.094 1
1 773 . 3 1 1 A 87 87 LYS CA C 87 58.452 58.898 -0.446 1
1 774 . 3 1 1 A 87 87 LYS CB C 87 32.067 32.146 -0.079 1
1 778 . 3 1 1 A 87 87 LYS N N 87 119.741 118.950 0.791 1
1 779 . 3 1 1 A 88 88 ASP H H 88 8.300 7.986 0.314 1
1 780 . 3 1 1 A 88 88 ASP HA H 88 4.461 4.438 0.023 1
1 783 . 3 1 1 A 88 88 ASP C C 88 177.597 178.090 -0.493 1
1 784 . 3 1 1 A 88 88 ASP CA C 88 56.228 56.297 -0.069 1
1 785 . 3 1 1 A 88 88 ASP CB C 88 40.500 40.883 -0.383 1
1 786 . 3 1 1 A 88 88 ASP N N 88 119.700 119.675 0.025 1
1 787 . 3 1 1 A 89 89 LEU H H 89 7.672 7.820 -0.148 1
1 788 . 3 1 1 A 89 89 LEU HA H 89 4.227 4.053 0.174 1
1 798 . 3 1 1 A 89 89 LEU C C 89 177.757 177.822 -0.065 1
1 799 . 3 1 1 A 89 89 LEU CA C 89 55.938 57.039 -1.101 1
1 800 . 3 1 1 A 89 89 LEU CB C 89 42.267 41.561 0.706 1
1 804 . 3 1 1 A 89 89 LEU N N 89 119.729 118.497 1.232 1
1 805 . 3 1 1 A 90 90 GLN H H 90 7.823 7.352 0.471 1
1 806 . 3 1 1 A 90 90 GLN HA H 90 4.264 4.435 -0.171 1
1 813 . 3 1 1 A 90 90 GLN C C 90 175.896 176.239 -0.343 1
1 814 . 3 1 1 A 90 90 GLN CA C 90 55.828 55.650 0.178 1
1 815 . 3 1 1 A 90 90 GLN CB C 90 28.871 29.352 -0.481 1
1 817 . 3 1 1 A 90 90 GLN N N 90 118.133 116.147 1.986 1
1 819 . 3 1 1 A 91 91 LYS H H 91 8.016 7.356 0.660 1
1 820 . 3 1 1 A 91 91 LYS HA H 91 4.561 4.393 0.168 1
1 829 . 3 1 1 A 91 91 LYS CA C 91 54.567 54.809 -0.242 1
1 830 . 3 1 1 A 91 91 LYS CB C 91 32.373 32.409 -0.036 1
1 834 . 3 1 1 A 91 91 LYS N N 91 122.571 120.722 1.849 1
1 835 . 3 1 1 A 92 92 PRO HA H 92 4.372 4.353 0.019 1
1 842 . 3 1 1 A 92 92 PRO C C 92 176.665 177.132 -0.467 1
1 843 . 3 1 1 A 92 92 PRO CA C 92 63.251 64.598 -1.347 1
1 844 . 3 1 1 A 92 92 PRO CB C 92 32.073 31.538 0.535 1
1 847 . 3 1 1 A 93 93 ALA H H 93 8.364 7.887 0.477 1
1 848 . 3 1 1 A 93 93 ALA HA H 93 4.245 4.024 0.221 1
1 852 . 3 1 1 A 93 93 ALA C C 93 177.504 175.981 1.523 1
1 853 . 3 1 1 A 93 93 ALA CA C 93 52.458 53.886 -1.428 1
1 854 . 3 1 1 A 93 93 ALA CB C 93 19.247 17.995 1.252 1
1 855 . 3 1 1 A 93 93 ALA N N 93 123.718 119.500 4.218 1
1 856 . 3 1 1 A 94 94 TYR H H 94 8.153 7.270 0.883 1
1 857 . 3 1 1 A 94 94 TYR HA H 94 4.626 5.160 -0.534 1
1 864 . 3 1 1 A 94 94 TYR C C 94 176.141 173.433 2.708 1
1 865 . 3 1 1 A 94 94 TYR CA C 94 57.859 56.012 1.847 1
1 866 . 3 1 1 A 94 94 TYR CB C 94 38.793 40.761 -1.968 1
1 871 . 3 1 1 A 94 94 TYR N N 94 119.293 112.861 6.432 1
1 872 . 3 1 1 A 95 95 THR H H 95 8.119 9.001 -0.882 1
1 873 . 3 1 1 A 95 95 THR HA H 95 4.286 4.969 -0.683 1
1 878 . 3 1 1 A 95 95 THR C C 95 174.813 173.119 1.694 1
1 879 . 3 1 1 A 95 95 THR CA C 95 61.758 60.593 1.165 1
1 880 . 3 1 1 A 95 95 THR CB C 95 69.860 70.215 -0.355 1
1 882 . 3 1 1 A 95 95 THR N N 95 115.890 112.754 3.136 1
1 883 . 3 1 1 A 96 96 GLY H H 96 7.669 8.900 -1.231 1
1 884 . 3 1 1 A 96 96 GLY HA2 H 96 3.875 4.124 -0.249 1
1 885 . 3 1 1 A 96 96 GLY HA3 H 96 3.822 4.158 -0.336 1
1 886 . 3 1 1 A 96 96 GLY C C 96 173.774 172.943 0.831 1
1 887 . 3 1 1 A 96 96 GLY CA C 96 45.320 46.819 -1.499 1
1 888 . 3 1 1 A 96 96 GLY N N 96 110.133 113.474 -3.341 1
1 889 . 3 1 1 A 97 97 TYR H H 97 8.028 8.754 -0.726 1
1 890 . 3 1 1 A 97 97 TYR HA H 97 4.510 4.946 -0.436 1
1 897 . 3 1 1 A 97 97 TYR CA C 97 58.115 57.952 0.163 1
1 898 . 3 1 1 A 97 97 TYR CB C 97 38.769 39.144 -0.375 1
1 903 . 3 1 1 A 97 97 TYR N N 97 119.945 126.072 -6.127 1
1 904 . 3 1 1 A 98 98 ASN HA H 98 4.641 5.279 -0.638 1
1 909 . 3 1 1 A 98 98 ASN C C 98 174.882 174.001 0.881 1
1 910 . 3 1 1 A 98 98 ASN CA C 98 53.067 51.879 1.188 1
1 911 . 3 1 1 A 98 98 ASN CB C 98 38.835 39.677 -0.842 1
1 913 . 3 1 1 A 99 99 ARG H H 99 8.226 8.806 -0.580 1
1 914 . 3 1 1 A 99 99 ARG HA H 99 4.259 4.651 -0.392 1
1 921 . 3 1 1 A 99 99 ARG C C 99 176.406 175.073 1.333 1
1 922 . 3 1 1 A 99 99 ARG CA C 99 56.464 55.391 1.073 1
1 923 . 3 1 1 A 99 99 ARG CB C 99 30.588 29.324 1.264 1
1 926 . 3 1 1 A 99 99 ARG N N 99 121.620 123.775 -2.155 1
1 927 . 3 1 1 A 100 100 ARG H H 100 8.398 7.669 0.729 1
1 928 . 3 1 1 A 100 100 ARG N N 100 121.935 120.926 1.009 1
1 929 . 3 1 1 A 101 101 GLY HA2 H 101 3.835 3.822 0.013 1
1 930 . 3 1 1 A 101 101 GLY HA3 H 101 3.835 3.822 0.013 1
1 931 . 3 1 1 A 101 101 GLY CA C 101 43.935 47.150 -3.215 1
1 932 . 3 1 1 A 102 102 SER HA H 102 4.460 4.572 -0.112 1
1 935 . 3 1 1 A 102 102 SER CA C 102 58.458 57.208 1.250 1
1 936 . 3 1 1 A 102 102 SER CB C 102 64.128 63.650 0.478 1
1 937 . 3 1 1 A 103 103 LYS H H 103 8.524 8.477 0.047 1
1 938 . 3 1 1 A 103 103 LYS HA H 103 4.305 4.523 -0.218 1
1 947 . 3 1 1 A 103 103 LYS CA C 103 56.788 56.724 0.064 1
1 948 . 3 1 1 A 103 103 LYS CB C 103 32.766 32.792 -0.026 1
1 952 . 3 1 1 A 103 103 LYS N N 103 123.092 126.323 -3.231 1
1 953 . 3 1 1 A 104 104 ASP H H 104 8.316 8.514 -0.198 1
1 954 . 3 1 1 A 104 104 ASP HA H 104 4.612 4.653 -0.041 1
1 957 . 3 1 1 A 104 104 ASP C C 104 176.493 175.538 0.955 1
1 958 . 3 1 1 A 104 104 ASP CA C 104 54.704 54.612 0.092 1
1 959 . 3 1 1 A 104 104 ASP CB C 104 41.277 40.961 0.316 1
1 960 . 3 1 1 A 104 104 ASP N N 104 120.807 126.125 -5.318 1
1 961 . 3 1 1 A 105 105 SER H H 105 8.215 8.697 -0.482 1
1 962 . 3 1 1 A 105 105 SER HA H 105 4.390 4.814 -0.424 1
1 965 . 3 1 1 A 105 105 SER C C 105 174.659 172.859 1.800 1
1 966 . 3 1 1 A 105 105 SER CA C 105 58.889 57.319 1.570 1
1 967 . 3 1 1 A 105 105 SER CB C 105 63.781 63.022 0.759 1
1 968 . 3 1 1 A 105 105 SER N N 105 116.100 117.804 -1.704 1
1 969 . 3 1 1 A 106 106 GLN H H 106 8.396 8.611 -0.215 1
1 970 . 3 1 1 A 106 106 GLN HA H 106 4.344 4.868 -0.524 1
1 977 . 3 1 1 A 106 106 GLN C C 106 175.746 175.345 0.401 1
1 978 . 3 1 1 A 106 106 GLN CA C 106 55.981 54.575 1.406 1
1 979 . 3 1 1 A 106 106 GLN CB C 106 29.351 30.775 -1.424 1
1 981 . 3 1 1 A 106 106 GLN N N 106 121.640 125.490 -3.850 1
1 983 . 3 1 1 A 107 107 LEU H H 107 8.172 8.552 -0.380 1
1 984 . 3 1 1 A 107 107 LEU HA H 107 4.348 4.363 -0.015 1
1 994 . 3 1 1 A 107 107 LEU C C 107 176.328 176.540 -0.212 1
1 995 . 3 1 1 A 107 107 LEU CA C 107 55.385 54.431 0.954 1
1 996 . 3 1 1 A 107 107 LEU CB C 107 42.163 40.994 1.169 1
1 1000 . 3 1 1 A 107 107 LEU N N 107 123.200 123.520 -0.320 1
1 12 . 4 1 1 A 22 22 ALA H H 22 8.289 8.373 -0.084 1
1 13 . 4 1 1 A 22 22 ALA HA H 22 4.277 4.412 -0.135 1
1 17 . 4 1 1 A 22 22 ALA C C 22 177.730 177.277 0.453 1
1 18 . 4 1 1 A 22 22 ALA CA C 22 52.742 52.434 0.308 1
1 19 . 4 1 1 A 22 22 ALA CB C 22 19.263 18.693 0.570 1
1 20 . 4 1 1 A 22 22 ALA N N 22 125.042 126.627 -1.585 1
1 21 . 4 1 1 A 23 23 SER H H 23 8.253 8.594 -0.341 1
1 22 . 4 1 1 A 23 23 SER HA H 23 4.374 5.118 -0.744 1
1 25 . 4 1 1 A 23 23 SER C C 23 175.066 174.519 0.547 1
1 26 . 4 1 1 A 23 23 SER CA C 23 58.670 57.087 1.583 1
1 27 . 4 1 1 A 23 23 SER CB C 23 63.822 65.893 -2.071 1
1 28 . 4 1 1 A 23 23 SER N N 23 114.713 117.778 -3.065 1
1 29 . 4 1 1 A 24 24 GLY H H 24 8.368 8.810 -0.442 1
1 30 . 4 1 1 A 24 24 GLY HA2 H 24 3.945 4.029 -0.084 1
1 31 . 4 1 1 A 24 24 GLY HA3 H 24 3.886 4.070 -0.184 1
1 32 . 4 1 1 A 24 24 GLY C C 24 173.906 175.215 -1.309 1
1 33 . 4 1 1 A 24 24 GLY CA C 24 45.410 45.730 -0.320 1
1 34 . 4 1 1 A 24 24 GLY N N 24 110.595 111.229 -0.634 1
1 35 . 4 1 1 A 25 25 TRP H H 25 7.961 8.598 -0.637 1
1 36 . 4 1 1 A 25 25 TRP HA H 25 4.632 4.462 0.170 1
1 45 . 4 1 1 A 25 25 TRP C C 25 175.880 177.173 -1.293 1
1 46 . 4 1 1 A 25 25 TRP CA C 25 57.289 59.889 -2.600 1
1 47 . 4 1 1 A 25 25 TRP CB C 25 29.725 28.251 1.474 1
1 53 . 4 1 1 A 25 25 TRP N N 25 120.881 120.696 0.185 1
1 55 . 4 1 1 A 26 26 ALA H H 26 8.129 7.126 1.003 1
1 56 . 4 1 1 A 26 26 ALA HA H 26 4.222 4.217 0.005 1
1 60 . 4 1 1 A 26 26 ALA C C 26 176.977 176.644 0.333 1
1 61 . 4 1 1 A 26 26 ALA CA C 26 52.345 52.631 -0.286 1
1 62 . 4 1 1 A 26 26 ALA CB C 26 19.414 20.494 -1.080 1
1 63 . 4 1 1 A 26 26 ALA N N 26 125.541 120.516 5.025 1
1 64 . 4 1 1 A 27 27 ASN H H 27 8.139 7.525 0.614 1
1 65 . 4 1 1 A 27 27 ASN HA H 27 4.581 4.826 -0.245 1
1 70 . 4 1 1 A 27 27 ASN C C 27 175.044 174.061 0.983 1
1 71 . 4 1 1 A 27 27 ASN CA C 27 53.260 52.321 0.939 1
1 72 . 4 1 1 A 27 27 ASN CB C 27 39.022 40.072 -1.050 1
1 73 . 4 1 1 A 27 27 ASN N N 27 117.794 113.985 3.809 1
1 75 . 4 1 1 A 28 28 ASP H H 28 8.286 8.474 -0.188 1
1 76 . 4 1 1 A 28 28 ASP HA H 28 4.581 4.985 -0.404 1
1 79 . 4 1 1 A 28 28 ASP C C 28 176.163 175.490 0.673 1
1 80 . 4 1 1 A 28 28 ASP CA C 28 54.629 52.826 1.803 1
1 81 . 4 1 1 A 28 28 ASP CB C 28 41.129 44.569 -3.440 1
1 82 . 4 1 1 A 28 28 ASP N N 28 120.788 121.041 -0.253 1
1 83 . 4 1 1 A 29 29 ASP H H 29 8.287 8.806 -0.519 1
1 84 . 4 1 1 A 29 29 ASP HA H 29 4.546 4.245 0.301 1
1 87 . 4 1 1 A 29 29 ASP C C 29 176.359 177.582 -1.223 1
1 88 . 4 1 1 A 29 29 ASP CA C 29 54.883 57.445 -2.562 1
1 89 . 4 1 1 A 29 29 ASP CB C 29 41.050 40.908 0.142 1
1 90 . 4 1 1 A 29 29 ASP N N 29 120.641 124.110 -3.469 1
1 91 . 4 1 1 A 30 30 ALA H H 30 8.141 7.427 0.714 1
1 92 . 4 1 1 A 30 30 ALA HA H 30 4.278 4.190 0.088 1
1 96 . 4 1 1 A 30 30 ALA C C 30 178.218 177.957 0.261 1
1 97 . 4 1 1 A 30 30 ALA CA C 30 53.006 53.782 -0.776 1
1 98 . 4 1 1 A 30 30 ALA CB C 30 19.115 18.401 0.714 1
1 99 . 4 1 1 A 30 30 ALA N N 30 123.561 120.690 2.871 1
1 100 . 4 1 1 A 31 31 VAL H H 31 7.996 7.556 0.440 1
1 101 . 4 1 1 A 31 31 VAL HA H 31 4.010 4.050 -0.040 1
1 109 . 4 1 1 A 31 31 VAL C C 31 175.417 176.958 -1.541 1
1 110 . 4 1 1 A 31 31 VAL CA C 31 62.896 64.230 -1.334 1
1 111 . 4 1 1 A 31 31 VAL CB C 31 32.567 32.959 -0.392 1
1 114 . 4 1 1 A 31 31 VAL N N 31 118.676 116.240 2.436 1
1 115 . 4 1 1 A 32 32 ASN H H 32 8.364 8.026 0.338 1
1 116 . 4 1 1 A 32 32 ASN HA H 32 4.694 4.560 0.134 1
1 121 . 4 1 1 A 32 32 ASN C C 32 174.659 176.374 -1.715 1
1 122 . 4 1 1 A 32 32 ASN CA C 32 53.547 54.653 -1.106 1
1 123 . 4 1 1 A 32 32 ASN CB C 32 38.939 38.526 0.413 1
1 124 . 4 1 1 A 32 32 ASN N N 32 121.518 119.200 2.318 1
1 126 . 4 1 1 A 33 33 GLU H H 33 8.380 8.347 0.033 1
1 127 . 4 1 1 A 33 33 GLU HA H 33 4.240 4.089 0.151 1
1 132 . 4 1 1 A 33 33 GLU C C 33 176.641 177.931 -1.290 1
1 133 . 4 1 1 A 33 33 GLU CA C 33 57.074 58.463 -1.389 1
1 134 . 4 1 1 A 33 33 GLU CB C 33 30.212 28.234 1.978 1
1 136 . 4 1 1 A 33 33 GLU N N 33 121.497 117.009 4.488 1
1 137 . 4 1 1 A 34 34 GLN H H 34 8.333 7.993 0.340 1
1 138 . 4 1 1 A 34 34 GLN HA H 34 4.315 4.159 0.156 1
1 145 . 4 1 1 A 34 34 GLN C C 34 176.325 179.058 -2.733 1
1 146 . 4 1 1 A 34 34 GLN CA C 34 56.232 58.354 -2.122 1
1 147 . 4 1 1 A 34 34 GLN CB C 34 29.304 28.307 0.997 1
1 149 . 4 1 1 A 34 34 GLN N N 34 120.891 118.382 2.509 1
1 151 . 4 1 1 A 35 35 ILE H H 35 8.155 8.027 0.128 1
1 152 . 4 1 1 A 35 35 ILE HA H 35 4.116 3.967 0.149 1
1 162 . 4 1 1 A 35 35 ILE C C 35 176.203 176.950 -0.747 1
1 163 . 4 1 1 A 35 35 ILE CA C 35 61.645 63.886 -2.241 1
1 164 . 4 1 1 A 35 35 ILE CB C 35 38.640 37.742 0.898 1
1 168 . 4 1 1 A 35 35 ILE N N 35 121.784 121.310 0.474 1
1 169 . 4 1 1 A 36 36 ASN H H 36 8.504 7.946 0.558 1
1 170 . 4 1 1 A 36 36 ASN HA H 36 4.760 5.104 -0.344 1
1 175 . 4 1 1 A 36 36 ASN C C 36 175.468 175.802 -0.334 1
1 176 . 4 1 1 A 36 36 ASN CA C 36 53.504 52.801 0.703 1
1 177 . 4 1 1 A 36 36 ASN CB C 36 38.947 39.261 -0.314 1
1 178 . 4 1 1 A 36 36 ASN N N 36 122.204 118.387 3.817 1
1 180 . 4 1 1 A 37 37 SER H H 37 8.380 8.188 0.192 1
1 181 . 4 1 1 A 37 37 SER HA H 37 4.505 4.377 0.128 1
1 184 . 4 1 1 A 37 37 SER C C 37 174.990 176.245 -1.255 1
1 185 . 4 1 1 A 37 37 SER CA C 37 58.963 60.644 -1.681 1
1 186 . 4 1 1 A 37 37 SER CB C 37 63.760 62.975 0.785 1
1 187 . 4 1 1 A 37 37 SER N N 37 116.788 114.507 2.281 1
1 188 . 4 1 1 A 38 38 THR H H 38 8.302 7.874 0.428 1
1 189 . 4 1 1 A 38 38 THR HA H 38 4.369 3.958 0.411 1
1 194 . 4 1 1 A 38 38 THR C C 38 175.437 176.989 -1.552 1
1 195 . 4 1 1 A 38 38 THR CA C 38 62.751 66.688 -3.937 1
1 196 . 4 1 1 A 38 38 THR CB C 38 69.838 68.043 1.795 1
1 198 . 4 1 1 A 38 38 THR N N 38 116.285 115.941 0.344 1
1 199 . 4 1 1 A 39 39 ILE H H 39 8.153 7.906 0.247 1
1 200 . 4 1 1 A 39 39 ILE HA H 39 4.080 3.552 0.528 1
1 210 . 4 1 1 A 39 39 ILE C C 39 176.850 178.501 -1.651 1
1 211 . 4 1 1 A 39 39 ILE CA C 39 62.295 65.157 -2.862 1
1 212 . 4 1 1 A 39 39 ILE CB C 39 38.373 37.588 0.785 1
1 216 . 4 1 1 A 39 39 ILE N N 39 123.148 121.697 1.451 1
1 217 . 4 1 1 A 40 40 GLU H H 40 8.438 8.474 -0.036 1
1 218 . 4 1 1 A 40 40 GLU HA H 40 4.146 4.057 0.089 1
1 223 . 4 1 1 A 40 40 GLU C C 40 177.573 178.730 -1.157 1
1 224 . 4 1 1 A 40 40 GLU CA C 40 58.026 58.950 -0.924 1
1 225 . 4 1 1 A 40 40 GLU CB C 40 29.870 28.904 0.966 1
1 227 . 4 1 1 A 40 40 GLU N N 40 123.184 120.467 2.717 1
1 228 . 4 1 1 A 41 41 ASP H H 41 8.295 8.158 0.137 1
1 229 . 4 1 1 A 41 41 ASP HA H 41 4.512 4.421 0.091 1
1 232 . 4 1 1 A 41 41 ASP C C 41 176.856 178.159 -1.303 1
1 233 . 4 1 1 A 41 41 ASP CA C 41 55.563 57.727 -2.164 1
1 234 . 4 1 1 A 41 41 ASP CB C 41 41.080 41.205 -0.125 1
1 235 . 4 1 1 A 41 41 ASP N N 41 121.311 121.000 0.311 1
1 236 . 4 1 1 A 42 42 ALA H H 42 8.098 7.678 0.420 1
1 237 . 4 1 1 A 42 42 ALA HA H 42 4.153 4.104 0.049 1
1 241 . 4 1 1 A 42 42 ALA C C 42 179.658 179.187 0.471 1
1 242 . 4 1 1 A 42 42 ALA CA C 42 54.315 55.039 -0.724 1
1 243 . 4 1 1 A 42 42 ALA CB C 42 18.765 18.336 0.429 1
1 244 . 4 1 1 A 42 42 ALA N N 42 123.411 120.839 2.572 1
1 245 . 4 1 1 A 43 43 ILE H H 43 8.047 7.435 0.612 1
1 246 . 4 1 1 A 43 43 ILE HA H 43 3.904 3.952 -0.048 1
1 256 . 4 1 1 A 43 43 ILE C C 43 176.603 177.778 -1.175 1
1 257 . 4 1 1 A 43 43 ILE CA C 43 63.028 63.395 -0.367 1
1 258 . 4 1 1 A 43 43 ILE CB C 43 38.140 38.072 0.068 1
1 262 . 4 1 1 A 43 43 ILE N N 43 119.853 118.955 0.898 1
1 263 . 4 1 1 A 44 44 ALA H H 44 8.072 7.917 0.155 1
1 264 . 4 1 1 A 44 44 ALA HA H 44 4.162 3.995 0.167 1
1 268 . 4 1 1 A 44 44 ALA C C 44 179.414 179.541 -0.127 1
1 269 . 4 1 1 A 44 44 ALA CA C 44 54.011 55.677 -1.666 1
1 270 . 4 1 1 A 44 44 ALA CB C 44 18.614 18.169 0.445 1
1 271 . 4 1 1 A 44 44 ALA N N 44 124.814 124.629 0.185 1
1 272 . 4 1 1 A 45 45 ARG H H 45 8.177 7.962 0.215 1
1 273 . 4 1 1 A 45 45 ARG HA H 45 4.187 4.162 0.025 1
1 280 . 4 1 1 A 45 45 ARG C C 45 177.629 178.087 -0.458 1
1 281 . 4 1 1 A 45 45 ARG CA C 45 57.569 57.709 -0.140 1
1 282 . 4 1 1 A 45 45 ARG CB C 45 30.600 28.880 1.720 1
1 285 . 4 1 1 A 45 45 ARG N N 45 118.718 116.613 2.105 1
1 286 . 4 1 1 A 46 46 ALA H H 46 8.004 7.734 0.270 1
1 287 . 4 1 1 A 46 46 ALA HA H 46 4.274 4.333 -0.059 1
1 291 . 4 1 1 A 46 46 ALA C C 46 178.519 178.397 0.122 1
1 292 . 4 1 1 A 46 46 ALA CA C 46 53.339 54.190 -0.851 1
1 293 . 4 1 1 A 46 46 ALA CB C 46 18.827 19.583 -0.756 1
1 294 . 4 1 1 A 46 46 ALA N N 46 123.416 122.936 0.480 1
1 295 . 4 1 1 A 47 47 ARG H H 47 8.082 7.813 0.269 1
1 296 . 4 1 1 A 47 47 ARG HA H 47 4.285 4.520 -0.235 1
1 303 . 4 1 1 A 47 47 ARG C C 47 177.103 176.863 0.240 1
1 304 . 4 1 1 A 47 47 ARG CA C 47 56.871 55.191 1.680 1
1 305 . 4 1 1 A 47 47 ARG CB C 47 30.655 32.181 -1.526 1
1 308 . 4 1 1 A 47 47 ARG N N 47 118.672 113.588 5.084 1
1 309 . 4 1 1 A 48 48 GLY H H 48 8.160 7.936 0.224 1
1 310 . 4 1 1 A 48 48 GLY HA2 H 48 3.976 3.986 -0.010 1
1 311 . 4 1 1 A 48 48 GLY HA3 H 48 3.976 3.986 -0.010 1
1 312 . 4 1 1 A 48 48 GLY C C 48 174.015 175.133 -1.118 1
1 313 . 4 1 1 A 48 48 GLY CA C 48 45.337 46.302 -0.965 1
1 314 . 4 1 1 A 48 48 GLY N N 48 108.533 109.327 -0.794 1
1 315 . 4 1 1 A 49 49 GLU H H 49 8.113 7.606 0.507 1
1 316 . 4 1 1 A 49 49 GLU HA H 49 4.317 3.998 0.319 1
1 321 . 4 1 1 A 49 49 GLU C C 49 176.216 175.304 0.912 1
1 322 . 4 1 1 A 49 49 GLU CA C 49 56.125 59.118 -2.993 1
1 323 . 4 1 1 A 49 49 GLU CB C 49 30.497 30.189 0.308 1
1 325 . 4 1 1 A 49 49 GLU N N 49 120.272 120.600 -0.328 1
1 326 . 4 1 1 A 50 50 ILE H H 50 8.203 8.188 0.015 1
1 327 . 4 1 1 A 50 50 ILE HA H 50 4.419 4.571 -0.152 1
1 337 . 4 1 1 A 50 50 ILE CA C 50 58.687 57.219 1.468 1
1 338 . 4 1 1 A 50 50 ILE CB C 50 38.623 40.418 -1.795 1
1 342 . 4 1 1 A 50 50 ILE N N 50 123.785 118.716 5.069 1
1 343 . 4 1 1 A 51 51 PRO HA H 51 4.414 4.605 -0.191 1
1 350 . 4 1 1 A 51 51 PRO C C 51 176.785 176.700 0.085 1
1 351 . 4 1 1 A 51 51 PRO CA C 51 63.188 62.391 0.797 1
1 352 . 4 1 1 A 51 51 PRO CB C 51 32.210 33.449 -1.239 1
1 355 . 4 1 1 A 52 52 ARG H H 52 8.545 8.423 0.122 1
1 356 . 4 1 1 A 52 52 ARG HA H 52 4.300 4.391 -0.091 1
1 363 . 4 1 1 A 52 52 ARG C C 52 176.985 176.486 0.499 1
1 364 . 4 1 1 A 52 52 ARG CA C 52 56.493 55.661 0.832 1
1 365 . 4 1 1 A 52 52 ARG CB C 52 30.944 29.674 1.270 1
1 368 . 4 1 1 A 52 52 ARG N N 52 122.009 120.166 1.843 1
1 369 . 4 1 1 A 53 53 GLY H H 53 8.504 7.955 0.549 1
1 370 . 4 1 1 A 53 53 GLY HA2 H 53 3.995 3.935 0.060 1
1 371 . 4 1 1 A 53 53 GLY HA3 H 53 3.934 3.936 -0.002 1
1 372 . 4 1 1 A 53 53 GLY C C 53 173.562 174.230 -0.668 1
1 373 . 4 1 1 A 53 53 GLY CA C 53 44.990 45.701 -0.711 1
1 374 . 4 1 1 A 53 53 GLY N N 53 110.270 108.467 1.803 1
1 375 . 4 1 1 A 54 54 GLU H H 54 8.216 7.941 0.275 1
1 376 . 4 1 1 A 54 54 GLU HA H 54 4.364 4.606 -0.242 1
1 381 . 4 1 1 A 54 54 GLU C C 54 177.145 176.235 0.910 1
1 382 . 4 1 1 A 54 54 GLU CA C 54 55.883 55.632 0.251 1
1 383 . 4 1 1 A 54 54 GLU CB C 54 30.696 31.302 -0.606 1
1 385 . 4 1 1 A 54 54 GLU N N 54 119.939 120.282 -0.343 1
1 386 . 4 1 1 A 55 55 SER H H 55 8.916 8.645 0.271 1
1 387 . 4 1 1 A 55 55 SER HA H 55 4.544 4.427 0.117 1
1 390 . 4 1 1 A 55 55 SER C C 55 174.434 174.820 -0.386 1
1 391 . 4 1 1 A 55 55 SER CA C 55 58.592 59.657 -1.065 1
1 392 . 4 1 1 A 55 55 SER CB C 55 63.662 63.761 -0.099 1
1 393 . 4 1 1 A 55 55 SER N N 55 118.742 117.660 1.082 1
1 394 . 4 1 1 A 56 56 LEU H H 56 8.598 7.887 0.711 1
1 395 . 4 1 1 A 56 56 LEU HA H 56 4.343 4.713 -0.370 1
1 405 . 4 1 1 A 56 56 LEU C C 56 176.024 176.571 -0.547 1
1 406 . 4 1 1 A 56 56 LEU CA C 56 54.782 52.752 2.030 1
1 407 . 4 1 1 A 56 56 LEU CB C 56 42.106 43.913 -1.807 1
1 411 . 4 1 1 A 56 56 LEU N N 56 125.386 123.986 1.400 1
1 412 . 4 1 1 A 57 57 ASP H H 57 8.211 8.542 -0.331 1
1 413 . 4 1 1 A 57 57 ASP HA H 57 4.545 4.951 -0.406 1
1 416 . 4 1 1 A 57 57 ASP C C 57 176.869 175.624 1.245 1
1 417 . 4 1 1 A 57 57 ASP CA C 57 54.978 53.348 1.630 1
1 418 . 4 1 1 A 57 57 ASP CB C 57 41.477 41.704 -0.227 1
1 419 . 4 1 1 A 57 57 ASP N N 57 115.979 117.661 -1.682 1
1 420 . 4 1 1 A 58 58 GLU H H 58 7.469 7.782 -0.313 1
1 421 . 4 1 1 A 58 58 GLU HA H 58 4.717 4.742 -0.025 1
1 426 . 4 1 1 A 58 58 GLU C C 58 174.081 175.225 -1.144 1
1 427 . 4 1 1 A 58 58 GLU CA C 58 54.280 54.910 -0.630 1
1 428 . 4 1 1 A 58 58 GLU CB C 58 32.995 31.729 1.266 1
1 430 . 4 1 1 A 58 58 GLU N N 58 118.912 118.989 -0.077 1
1 431 . 4 1 1 A 59 59 CYS H H 59 9.364 8.699 0.665 1
1 432 . 4 1 1 A 59 59 CYS HA H 59 4.248 4.276 -0.028 1
1 435 . 4 1 1 A 59 59 CYS C C 59 178.266 176.436 1.830 1
1 436 . 4 1 1 A 59 59 CYS CA C 59 59.782 60.298 -0.516 1
1 437 . 4 1 1 A 59 59 CYS CB C 59 31.041 28.980 2.061 1
1 438 . 4 1 1 A 59 59 CYS N N 59 124.760 125.408 -0.648 1
1 439 . 4 1 1 A 60 60 GLU H H 60 9.202 8.901 0.301 1
1 440 . 4 1 1 A 60 60 GLU HA H 60 4.202 4.078 0.124 1
1 445 . 4 1 1 A 60 60 GLU C C 60 175.834 177.761 -1.927 1
1 446 . 4 1 1 A 60 60 GLU CA C 60 58.503 58.540 -0.037 1
1 447 . 4 1 1 A 60 60 GLU CB C 60 30.041 28.865 1.176 1
1 449 . 4 1 1 A 60 60 GLU N N 60 130.690 127.256 3.434 1
1 450 . 4 1 1 A 61 61 GLU H H 61 8.751 7.698 1.053 1
1 451 . 4 1 1 A 61 61 GLU HA H 61 4.542 4.276 0.266 1
1 456 . 4 1 1 A 61 61 GLU C C 61 177.312 178.300 -0.988 1
1 457 . 4 1 1 A 61 61 GLU CA C 61 58.094 58.457 -0.363 1
1 458 . 4 1 1 A 61 61 GLU CB C 61 31.037 30.665 0.372 1
1 460 . 4 1 1 A 61 61 GLU N N 61 120.904 118.046 2.858 1
1 461 . 4 1 1 A 62 62 CYS H H 62 8.401 7.371 1.030 1
1 462 . 4 1 1 A 62 62 CYS HA H 62 5.014 4.628 0.386 1
1 465 . 4 1 1 A 62 62 CYS C C 62 177.324 175.566 1.758 1
1 466 . 4 1 1 A 62 62 CYS CA C 62 59.127 58.548 0.579 1
1 467 . 4 1 1 A 62 62 CYS CB C 62 33.355 29.363 3.992 1
1 468 . 4 1 1 A 62 62 CYS N N 62 117.947 114.172 3.775 1
1 469 . 4 1 1 A 63 63 GLY H H 63 8.048 8.009 0.039 1
1 470 . 4 1 1 A 63 63 GLY HA2 H 63 4.234 3.933 0.301 1
1 471 . 4 1 1 A 63 63 GLY HA3 H 63 3.820 3.936 -0.116 1
1 472 . 4 1 1 A 63 63 GLY C C 63 172.914 174.954 -2.040 1
1 473 . 4 1 1 A 63 63 GLY CA C 63 46.163 46.658 -0.495 1
1 474 . 4 1 1 A 63 63 GLY N N 63 113.407 111.446 1.961 1
1 475 . 4 1 1 A 64 64 ALA H H 64 9.148 8.038 1.110 1
1 476 . 4 1 1 A 64 64 ALA HA H 64 4.536 4.474 0.062 1
1 480 . 4 1 1 A 64 64 ALA CA C 64 51.510 50.675 0.835 1
1 481 . 4 1 1 A 64 64 ALA CB C 64 19.099 19.311 -0.212 1
1 482 . 4 1 1 A 64 64 ALA N N 64 127.297 123.472 3.825 1
1 483 . 4 1 1 A 65 65 PRO HA H 65 4.583 4.533 0.050 1
1 490 . 4 1 1 A 65 65 PRO C C 65 177.423 176.863 0.560 1
1 491 . 4 1 1 A 65 65 PRO CA C 65 63.020 63.066 -0.046 1
1 492 . 4 1 1 A 65 65 PRO CB C 65 31.832 31.622 0.210 1
1 495 . 4 1 1 A 66 66 ILE H H 66 8.053 8.173 -0.120 1
1 496 . 4 1 1 A 66 66 ILE HA H 66 4.330 4.259 0.071 1
1 506 . 4 1 1 A 66 66 ILE CA C 66 58.847 60.145 -1.298 1
1 507 . 4 1 1 A 66 66 ILE CB C 66 38.162 38.270 -0.108 1
1 511 . 4 1 1 A 66 66 ILE N N 66 125.090 123.978 1.112 1
1 512 . 4 1 1 A 67 67 PRO HA H 67 4.447 4.742 -0.295 1
1 519 . 4 1 1 A 67 67 PRO C C 67 177.325 177.834 -0.509 1
1 520 . 4 1 1 A 67 67 PRO CA C 67 62.883 62.380 0.503 1
1 521 . 4 1 1 A 67 67 PRO CB C 67 32.692 32.566 0.126 1
1 524 . 4 1 1 A 68 68 GLN H H 68 8.982 8.588 0.394 1
1 525 . 4 1 1 A 68 68 GLN HA H 68 3.791 3.990 -0.199 1
1 532 . 4 1 1 A 68 68 GLN C C 68 177.316 178.140 -0.824 1
1 533 . 4 1 1 A 68 68 GLN CA C 68 59.491 58.528 0.963 1
1 534 . 4 1 1 A 68 68 GLN CB C 68 27.882 27.915 -0.033 1
1 536 . 4 1 1 A 68 68 GLN N N 68 124.876 121.386 3.490 1
1 538 . 4 1 1 A 69 69 ALA H H 69 8.892 8.223 0.669 1
1 539 . 4 1 1 A 69 69 ALA HA H 69 4.100 4.005 0.095 1
1 543 . 4 1 1 A 69 69 ALA C C 69 180.347 179.609 0.738 1
1 544 . 4 1 1 A 69 69 ALA CA C 69 55.209 55.043 0.166 1
1 545 . 4 1 1 A 69 69 ALA CB C 69 18.097 18.301 -0.204 1
1 546 . 4 1 1 A 69 69 ALA N N 69 118.268 122.684 -4.416 1
1 547 . 4 1 1 A 70 70 ARG H H 70 7.020 7.587 -0.567 1
1 548 . 4 1 1 A 70 70 ARG HA H 70 4.234 4.086 0.148 1
1 555 . 4 1 1 A 70 70 ARG C C 70 176.438 178.679 -2.241 1
1 556 . 4 1 1 A 70 70 ARG CA C 70 58.791 59.160 -0.369 1
1 557 . 4 1 1 A 70 70 ARG CB C 70 29.544 29.774 -0.230 1
1 560 . 4 1 1 A 70 70 ARG N N 70 119.170 117.343 1.827 1
1 561 . 4 1 1 A 71 71 ARG H H 71 7.754 7.444 0.310 1
1 562 . 4 1 1 A 71 71 ARG HA H 71 3.807 4.168 -0.361 1
1 569 . 4 1 1 A 71 71 ARG C C 71 179.191 178.450 0.741 1
1 570 . 4 1 1 A 71 71 ARG CA C 71 59.782 59.226 0.556 1
1 571 . 4 1 1 A 71 71 ARG CB C 71 30.564 29.836 0.728 1
1 574 . 4 1 1 A 71 71 ARG N N 71 116.460 118.844 -2.384 1
1 575 . 4 1 1 A 72 72 GLU H H 72 8.062 8.041 0.021 1
1 576 . 4 1 1 A 72 72 GLU HA H 72 4.014 4.106 -0.092 1
1 581 . 4 1 1 A 72 72 GLU C C 72 177.357 178.922 -1.565 1
1 582 . 4 1 1 A 72 72 GLU CA C 72 57.860 59.264 -1.404 1
1 583 . 4 1 1 A 72 72 GLU CB C 72 29.978 29.456 0.522 1
1 585 . 4 1 1 A 72 72 GLU N N 72 114.904 118.624 -3.720 1
1 586 . 4 1 1 A 73 73 ALA H H 73 7.686 7.631 0.055 1
1 587 . 4 1 1 A 73 73 ALA HA H 73 4.199 4.141 0.058 1
1 591 . 4 1 1 A 73 73 ALA C C 73 178.246 177.543 0.703 1
1 592 . 4 1 1 A 73 73 ALA CA C 73 54.110 54.600 -0.490 1
1 593 . 4 1 1 A 73 73 ALA CB C 73 19.546 19.019 0.527 1
1 594 . 4 1 1 A 73 73 ALA N N 73 120.673 120.901 -0.228 1
1 595 . 4 1 1 A 74 74 ILE H H 74 7.609 7.839 -0.230 1
1 596 . 4 1 1 A 74 74 ILE HA H 74 4.318 4.481 -0.163 1
1 606 . 4 1 1 A 74 74 ILE CA C 74 57.722 57.907 -0.185 1
1 607 . 4 1 1 A 74 74 ILE CB C 74 38.313 39.635 -1.322 1
1 611 . 4 1 1 A 74 74 ILE N N 74 117.475 118.138 -0.663 1
1 612 . 4 1 1 A 75 75 PRO HA H 75 4.267 4.418 -0.151 1
1 619 . 4 1 1 A 75 75 PRO C C 75 179.050 177.658 1.392 1
1 620 . 4 1 1 A 75 75 PRO CA C 75 63.966 63.201 0.765 1
1 621 . 4 1 1 A 75 75 PRO CB C 75 31.409 30.260 1.149 1
1 624 . 4 1 1 A 76 76 GLY H H 76 8.594 8.827 -0.233 1
1 625 . 4 1 1 A 76 76 GLY HA2 H 76 4.081 4.050 0.031 1
1 626 . 4 1 1 A 76 76 GLY HA3 H 76 3.402 4.050 -0.648 1
1 627 . 4 1 1 A 76 76 GLY C C 76 174.447 174.675 -0.228 1
1 628 . 4 1 1 A 76 76 GLY CA C 76 45.138 45.271 -0.133 1
1 629 . 4 1 1 A 76 76 GLY N N 76 113.042 112.828 0.214 1
1 630 . 4 1 1 A 77 77 VAL H H 77 8.185 7.488 0.697 1
1 631 . 4 1 1 A 77 77 VAL HA H 77 3.955 4.097 -0.142 1
1 639 . 4 1 1 A 77 77 VAL C C 77 173.122 175.669 -2.547 1
1 640 . 4 1 1 A 77 77 VAL CA C 77 63.160 62.140 1.020 1
1 641 . 4 1 1 A 77 77 VAL CB C 77 30.748 32.568 -1.820 1
1 644 . 4 1 1 A 77 77 VAL N N 77 124.214 120.267 3.947 1
1 645 . 4 1 1 A 78 78 ARG H H 78 8.635 8.767 -0.132 1
1 646 . 4 1 1 A 78 78 ARG HA H 78 4.547 4.704 -0.157 1
1 653 . 4 1 1 A 78 78 ARG C C 78 173.948 175.790 -1.842 1
1 654 . 4 1 1 A 78 78 ARG CA C 78 55.410 55.355 0.055 1
1 655 . 4 1 1 A 78 78 ARG CB C 78 33.618 31.497 2.121 1
1 658 . 4 1 1 A 78 78 ARG N N 78 121.505 124.801 -3.296 1
1 659 . 4 1 1 A 79 79 LEU H H 79 7.037 7.599 -0.562 1
1 660 . 4 1 1 A 79 79 LEU HA H 79 6.078 4.871 1.207 1
1 670 . 4 1 1 A 79 79 LEU C C 79 178.615 176.297 2.318 1
1 671 . 4 1 1 A 79 79 LEU CA C 79 52.286 53.174 -0.888 1
1 672 . 4 1 1 A 79 79 LEU CB C 79 46.763 45.381 1.382 1
1 676 . 4 1 1 A 79 79 LEU N N 79 116.511 120.829 -4.318 1
1 677 . 4 1 1 A 80 80 CYS H H 80 9.639 8.476 1.163 1
1 678 . 4 1 1 A 80 80 CYS HA H 80 4.595 4.574 0.021 1
1 681 . 4 1 1 A 80 80 CYS C C 80 174.898 175.404 -0.506 1
1 682 . 4 1 1 A 80 80 CYS CA C 80 57.983 58.575 -0.592 1
1 683 . 4 1 1 A 80 80 CYS CB C 80 31.306 29.349 1.957 1
1 684 . 4 1 1 A 80 80 CYS N N 80 121.517 123.692 -2.175 1
1 685 . 4 1 1 A 81 81 ILE H H 81 9.215 8.512 0.703 1
1 686 . 4 1 1 A 81 81 ILE HA H 81 3.836 3.852 -0.016 1
1 696 . 4 1 1 A 81 81 ILE C C 81 176.081 177.392 -1.311 1
1 697 . 4 1 1 A 81 81 ILE CA C 81 63.715 64.260 -0.545 1
1 698 . 4 1 1 A 81 81 ILE CB C 81 38.309 37.776 0.533 1
1 702 . 4 1 1 A 81 81 ILE N N 81 119.426 123.125 -3.699 1
1 703 . 4 1 1 A 82 82 HIS H H 82 7.439 7.752 -0.313 1
1 704 . 4 1 1 A 82 82 HIS HA H 82 4.354 4.356 -0.002 1
1 709 . 4 1 1 A 82 82 HIS C C 82 178.603 177.928 0.675 1
1 710 . 4 1 1 A 82 82 HIS CA C 82 59.802 59.398 0.404 1
1 711 . 4 1 1 A 82 82 HIS CB C 82 30.164 29.960 0.204 1
1 714 . 4 1 1 A 82 82 HIS N N 82 122.605 119.150 3.455 1
1 715 . 4 1 1 A 83 83 CYS H H 83 8.960 8.175 0.785 1
1 716 . 4 1 1 A 83 83 CYS HA H 83 3.995 4.414 -0.419 1
1 719 . 4 1 1 A 83 83 CYS C C 83 178.676 177.337 1.339 1
1 720 . 4 1 1 A 83 83 CYS CA C 83 64.648 61.487 3.161 1
1 721 . 4 1 1 A 83 83 CYS CB C 83 29.618 26.874 2.744 1
1 722 . 4 1 1 A 83 83 CYS N N 83 124.742 117.961 6.781 1
1 723 . 4 1 1 A 84 84 GLN H H 84 8.525 8.208 0.317 1
1 724 . 4 1 1 A 84 84 GLN HA H 84 3.812 4.035 -0.223 1
1 731 . 4 1 1 A 84 84 GLN C C 84 177.478 178.205 -0.727 1
1 732 . 4 1 1 A 84 84 GLN CA C 84 58.750 58.967 -0.217 1
1 733 . 4 1 1 A 84 84 GLN CB C 84 28.372 28.634 -0.262 1
1 735 . 4 1 1 A 84 84 GLN N N 84 120.642 121.367 -0.725 1
1 737 . 4 1 1 A 85 85 GLN H H 85 8.100 8.075 0.025 1
1 738 . 4 1 1 A 85 85 GLN HA H 85 4.117 4.069 0.048 1
1 745 . 4 1 1 A 85 85 GLN C C 85 178.483 177.746 0.737 1
1 746 . 4 1 1 A 85 85 GLN CA C 85 58.857 58.660 0.197 1
1 747 . 4 1 1 A 85 85 GLN CB C 85 28.261 28.658 -0.397 1
1 749 . 4 1 1 A 85 85 GLN N N 85 118.154 117.622 0.532 1
1 751 . 4 1 1 A 86 86 GLU H H 86 7.657 8.424 -0.767 1
1 752 . 4 1 1 A 86 86 GLU HA H 86 4.049 4.070 -0.021 1
1 757 . 4 1 1 A 86 86 GLU C C 86 178.798 178.450 0.348 1
1 758 . 4 1 1 A 86 86 GLU CA C 86 58.852 59.404 -0.552 1
1 759 . 4 1 1 A 86 86 GLU CB C 86 29.716 29.238 0.478 1
1 761 . 4 1 1 A 86 86 GLU N N 86 118.055 118.666 -0.611 1
1 762 . 4 1 1 A 87 87 LYS H H 87 7.799 7.973 -0.174 1
1 763 . 4 1 1 A 87 87 LYS HA H 87 4.056 4.175 -0.119 1
1 772 . 4 1 1 A 87 87 LYS C C 87 179.025 179.408 -0.383 1
1 773 . 4 1 1 A 87 87 LYS CA C 87 58.452 59.002 -0.550 1
1 774 . 4 1 1 A 87 87 LYS CB C 87 32.067 32.018 0.049 1
1 778 . 4 1 1 A 87 87 LYS N N 87 119.741 119.215 0.526 1
1 779 . 4 1 1 A 88 88 ASP H H 88 8.300 8.222 0.078 1
1 780 . 4 1 1 A 88 88 ASP HA H 88 4.461 4.435 0.026 1
1 783 . 4 1 1 A 88 88 ASP C C 88 177.597 178.607 -1.010 1
1 784 . 4 1 1 A 88 88 ASP CA C 88 56.228 56.799 -0.571 1
1 785 . 4 1 1 A 88 88 ASP CB C 88 40.500 41.289 -0.789 1
1 786 . 4 1 1 A 88 88 ASP N N 88 119.700 120.058 -0.358 1
1 787 . 4 1 1 A 89 89 LEU H H 89 7.672 8.283 -0.611 1
1 788 . 4 1 1 A 89 89 LEU HA H 89 4.227 4.003 0.224 1
1 798 . 4 1 1 A 89 89 LEU C C 89 177.757 179.196 -1.439 1
1 799 . 4 1 1 A 89 89 LEU CA C 89 55.938 57.724 -1.786 1
1 800 . 4 1 1 A 89 89 LEU CB C 89 42.267 41.267 1.000 1
1 804 . 4 1 1 A 89 89 LEU N N 89 119.729 119.445 0.284 1
1 805 . 4 1 1 A 90 90 GLN H H 90 7.823 7.761 0.062 1
1 806 . 4 1 1 A 90 90 GLN HA H 90 4.264 4.295 -0.031 1
1 813 . 4 1 1 A 90 90 GLN C C 90 175.896 176.377 -0.481 1
1 814 . 4 1 1 A 90 90 GLN CA C 90 55.828 57.002 -1.174 1
1 815 . 4 1 1 A 90 90 GLN CB C 90 28.871 28.966 -0.095 1
1 817 . 4 1 1 A 90 90 GLN N N 90 118.133 116.214 1.919 1
1 819 . 4 1 1 A 91 91 LYS H H 91 8.016 7.379 0.637 1
1 820 . 4 1 1 A 91 91 LYS HA H 91 4.561 4.410 0.151 1
1 829 . 4 1 1 A 91 91 LYS CA C 91 54.567 53.831 0.736 1
1 830 . 4 1 1 A 91 91 LYS CB C 91 32.373 32.135 0.238 1
1 834 . 4 1 1 A 91 91 LYS N N 91 122.571 119.885 2.686 1
1 835 . 4 1 1 A 92 92 PRO HA H 92 4.372 4.338 0.034 1
1 842 . 4 1 1 A 92 92 PRO C C 92 176.665 176.810 -0.145 1
1 843 . 4 1 1 A 92 92 PRO CA C 92 63.251 63.517 -0.266 1
1 844 . 4 1 1 A 92 92 PRO CB C 92 32.073 31.777 0.296 1
1 847 . 4 1 1 A 93 93 ALA H H 93 8.364 7.857 0.507 1
1 848 . 4 1 1 A 93 93 ALA HA H 93 4.245 3.951 0.294 1
1 852 . 4 1 1 A 93 93 ALA C C 93 177.504 175.783 1.721 1
1 853 . 4 1 1 A 93 93 ALA CA C 93 52.458 53.889 -1.431 1
1 854 . 4 1 1 A 93 93 ALA CB C 93 19.247 18.236 1.011 1
1 855 . 4 1 1 A 93 93 ALA N N 93 123.718 119.793 3.925 1
1 856 . 4 1 1 A 94 94 TYR H H 94 8.153 7.246 0.907 1
1 857 . 4 1 1 A 94 94 TYR HA H 94 4.626 5.233 -0.607 1
1 864 . 4 1 1 A 94 94 TYR C C 94 176.141 173.266 2.875 1
1 865 . 4 1 1 A 94 94 TYR CA C 94 57.859 55.989 1.870 1
1 866 . 4 1 1 A 94 94 TYR CB C 94 38.793 41.050 -2.257 1
1 871 . 4 1 1 A 94 94 TYR N N 94 119.293 112.714 6.579 1
1 872 . 4 1 1 A 95 95 THR H H 95 8.119 8.919 -0.800 1
1 873 . 4 1 1 A 95 95 THR HA H 95 4.286 5.068 -0.782 1
1 878 . 4 1 1 A 95 95 THR C C 95 174.813 174.342 0.471 1
1 879 . 4 1 1 A 95 95 THR CA C 95 61.758 60.781 0.977 1
1 880 . 4 1 1 A 95 95 THR CB C 95 69.860 70.662 -0.802 1
1 882 . 4 1 1 A 95 95 THR N N 95 115.890 113.095 2.795 1
1 883 . 4 1 1 A 96 96 GLY H H 96 7.669 9.093 -1.424 1
1 884 . 4 1 1 A 96 96 GLY HA2 H 96 3.875 3.984 -0.109 1
1 885 . 4 1 1 A 96 96 GLY HA3 H 96 3.822 4.097 -0.275 1
1 886 . 4 1 1 A 96 96 GLY C C 96 173.774 174.837 -1.063 1
1 887 . 4 1 1 A 96 96 GLY CA C 96 45.320 46.994 -1.674 1
1 888 . 4 1 1 A 96 96 GLY N N 96 110.133 111.819 -1.686 1
1 889 . 4 1 1 A 97 97 TYR H H 97 8.028 7.953 0.075 1
1 890 . 4 1 1 A 97 97 TYR HA H 97 4.510 4.809 -0.299 1
1 897 . 4 1 1 A 97 97 TYR CA C 97 58.115 57.201 0.914 1
1 898 . 4 1 1 A 97 97 TYR CB C 97 38.769 40.683 -1.914 1
1 903 . 4 1 1 A 97 97 TYR N N 97 119.945 118.198 1.747 1
1 904 . 4 1 1 A 98 98 ASN HA H 98 4.641 4.496 0.145 1
1 909 . 4 1 1 A 98 98 ASN C C 98 174.882 173.352 1.530 1
1 910 . 4 1 1 A 98 98 ASN CA C 98 53.067 55.143 -2.076 1
1 911 . 4 1 1 A 98 98 ASN CB C 98 38.835 37.257 1.578 1
1 913 . 4 1 1 A 99 99 ARG H H 99 8.226 8.846 -0.620 1
1 914 . 4 1 1 A 99 99 ARG HA H 99 4.259 5.013 -0.754 1
1 921 . 4 1 1 A 99 99 ARG C C 99 176.406 175.868 0.538 1
1 922 . 4 1 1 A 99 99 ARG CA C 99 56.464 54.455 2.009 1
1 923 . 4 1 1 A 99 99 ARG CB C 99 30.588 34.466 -3.878 1
1 926 . 4 1 1 A 99 99 ARG N N 99 121.620 120.352 1.268 1
1 927 . 4 1 1 A 100 100 ARG H H 100 8.398 8.722 -0.324 1
1 928 . 4 1 1 A 100 100 ARG N N 100 121.935 121.875 0.060 1
1 929 . 4 1 1 A 101 101 GLY HA2 H 101 3.835 4.029 -0.194 1
1 930 . 4 1 1 A 101 101 GLY HA3 H 101 3.835 4.029 -0.194 1
1 931 . 4 1 1 A 101 101 GLY CA C 101 43.935 45.396 -1.461 1
1 932 . 4 1 1 A 102 102 SER HA H 102 4.460 4.416 0.044 1
1 935 . 4 1 1 A 102 102 SER CA C 102 58.458 59.835 -1.377 1
1 936 . 4 1 1 A 102 102 SER CB C 102 64.128 63.780 0.348 1
1 937 . 4 1 1 A 103 103 LYS H H 103 8.524 8.631 -0.107 1
1 938 . 4 1 1 A 103 103 LYS HA H 103 4.305 5.033 -0.728 1
1 947 . 4 1 1 A 103 103 LYS CA C 103 56.788 54.608 2.180 1
1 948 . 4 1 1 A 103 103 LYS CB C 103 32.766 36.036 -3.270 1
1 952 . 4 1 1 A 103 103 LYS N N 103 123.092 125.250 -2.158 1
1 953 . 4 1 1 A 104 104 ASP H H 104 8.316 8.780 -0.464 1
1 954 . 4 1 1 A 104 104 ASP HA H 104 4.612 5.305 -0.693 1
1 957 . 4 1 1 A 104 104 ASP C C 104 176.493 174.429 2.064 1
1 958 . 4 1 1 A 104 104 ASP CA C 104 54.704 53.177 1.527 1
1 959 . 4 1 1 A 104 104 ASP CB C 104 41.277 45.092 -3.815 1
1 960 . 4 1 1 A 104 104 ASP N N 104 120.807 122.204 -1.397 1
1 961 . 4 1 1 A 105 105 SER H H 105 8.215 8.513 -0.298 1
1 962 . 4 1 1 A 105 105 SER HA H 105 4.390 4.718 -0.328 1
1 965 . 4 1 1 A 105 105 SER C C 105 174.659 173.588 1.071 1
1 966 . 4 1 1 A 105 105 SER CA C 105 58.889 57.529 1.360 1
1 967 . 4 1 1 A 105 105 SER CB C 105 63.781 65.610 -1.829 1
1 968 . 4 1 1 A 105 105 SER N N 105 116.100 118.956 -2.856 1
1 969 . 4 1 1 A 106 106 GLN H H 106 8.396 7.312 1.084 1
1 970 . 4 1 1 A 106 106 GLN HA H 106 4.344 4.806 -0.462 1
1 977 . 4 1 1 A 106 106 GLN C C 106 175.746 175.018 0.728 1
1 978 . 4 1 1 A 106 106 GLN CA C 106 55.981 54.525 1.456 1
1 979 . 4 1 1 A 106 106 GLN CB C 106 29.351 32.072 -2.721 1
1 981 . 4 1 1 A 106 106 GLN N N 106 121.640 117.482 4.158 1
1 983 . 4 1 1 A 107 107 LEU H H 107 8.172 8.480 -0.308 1
1 984 . 4 1 1 A 107 107 LEU HA H 107 4.348 4.785 -0.437 1
1 994 . 4 1 1 A 107 107 LEU C C 107 176.328 176.989 -0.661 1
1 995 . 4 1 1 A 107 107 LEU CA C 107 55.385 53.528 1.857 1
1 996 . 4 1 1 A 107 107 LEU CB C 107 42.163 41.784 0.379 1
1 1000 . 4 1 1 A 107 107 LEU N N 107 123.200 118.720 4.480 1
1 12 . 5 1 1 A 22 22 ALA H H 22 8.289 8.537 -0.248 1
1 13 . 5 1 1 A 22 22 ALA HA H 22 4.277 4.439 -0.162 1
1 17 . 5 1 1 A 22 22 ALA C C 22 177.730 175.494 2.236 1
1 18 . 5 1 1 A 22 22 ALA CA C 22 52.742 51.724 1.018 1
1 19 . 5 1 1 A 22 22 ALA CB C 22 19.263 19.613 -0.350 1
1 20 . 5 1 1 A 22 22 ALA N N 22 125.042 124.961 0.081 1
1 21 . 5 1 1 A 23 23 SER H H 23 8.253 8.935 -0.682 1
1 22 . 5 1 1 A 23 23 SER HA H 23 4.374 4.934 -0.560 1
1 25 . 5 1 1 A 23 23 SER C C 23 175.066 174.058 1.008 1
1 26 . 5 1 1 A 23 23 SER CA C 23 58.670 57.783 0.887 1
1 27 . 5 1 1 A 23 23 SER CB C 23 63.822 65.930 -2.108 1
1 28 . 5 1 1 A 23 23 SER N N 23 114.713 118.649 -3.936 1
1 29 . 5 1 1 A 24 24 GLY H H 24 8.368 9.012 -0.644 1
1 30 . 5 1 1 A 24 24 GLY HA2 H 24 3.945 4.007 -0.062 1
1 31 . 5 1 1 A 24 24 GLY HA3 H 24 3.886 4.054 -0.168 1
1 32 . 5 1 1 A 24 24 GLY C C 24 173.906 175.485 -1.579 1
1 33 . 5 1 1 A 24 24 GLY CA C 24 45.410 46.025 -0.615 1
1 34 . 5 1 1 A 24 24 GLY N N 24 110.595 115.390 -4.795 1
1 35 . 5 1 1 A 25 25 TRP H H 25 7.961 8.487 -0.526 1
1 36 . 5 1 1 A 25 25 TRP HA H 25 4.632 4.473 0.159 1
1 45 . 5 1 1 A 25 25 TRP C C 25 175.880 176.853 -0.973 1
1 46 . 5 1 1 A 25 25 TRP CA C 25 57.289 59.888 -2.599 1
1 47 . 5 1 1 A 25 25 TRP CB C 25 29.725 28.403 1.322 1
1 53 . 5 1 1 A 25 25 TRP N N 25 120.881 121.707 -0.826 1
1 55 . 5 1 1 A 26 26 ALA H H 26 8.129 6.872 1.257 1
1 56 . 5 1 1 A 26 26 ALA HA H 26 4.222 4.239 -0.017 1
1 60 . 5 1 1 A 26 26 ALA C C 26 176.977 176.016 0.961 1
1 61 . 5 1 1 A 26 26 ALA CA C 26 52.345 51.718 0.627 1
1 62 . 5 1 1 A 26 26 ALA CB C 26 19.414 20.499 -1.085 1
1 63 . 5 1 1 A 26 26 ALA N N 26 125.541 119.607 5.934 1
1 64 . 5 1 1 A 27 27 ASN H H 27 8.139 7.333 0.806 1
1 65 . 5 1 1 A 27 27 ASN HA H 27 4.581 4.673 -0.092 1
1 70 . 5 1 1 A 27 27 ASN C C 27 175.044 173.527 1.517 1
1 71 . 5 1 1 A 27 27 ASN CA C 27 53.260 51.952 1.308 1
1 72 . 5 1 1 A 27 27 ASN CB C 27 39.022 38.219 0.803 1
1 73 . 5 1 1 A 27 27 ASN N N 27 117.794 116.886 0.908 1
1 75 . 5 1 1 A 28 28 ASP H H 28 8.286 8.626 -0.340 1
1 76 . 5 1 1 A 28 28 ASP HA H 28 4.581 4.835 -0.254 1
1 79 . 5 1 1 A 28 28 ASP C C 28 176.163 177.366 -1.203 1
1 80 . 5 1 1 A 28 28 ASP CA C 28 54.629 53.591 1.038 1
1 81 . 5 1 1 A 28 28 ASP CB C 28 41.129 41.708 -0.579 1
1 82 . 5 1 1 A 28 28 ASP N N 28 120.788 125.626 -4.838 1
1 83 . 5 1 1 A 29 29 ASP H H 29 8.287 8.997 -0.710 1
1 84 . 5 1 1 A 29 29 ASP HA H 29 4.546 4.250 0.296 1
1 87 . 5 1 1 A 29 29 ASP C C 29 176.359 177.662 -1.303 1
1 88 . 5 1 1 A 29 29 ASP CA C 29 54.883 57.872 -2.989 1
1 89 . 5 1 1 A 29 29 ASP CB C 29 41.050 40.845 0.205 1
1 90 . 5 1 1 A 29 29 ASP N N 29 120.641 123.291 -2.650 1
1 91 . 5 1 1 A 30 30 ALA H H 30 8.141 7.861 0.280 1
1 92 . 5 1 1 A 30 30 ALA HA H 30 4.278 4.064 0.214 1
1 96 . 5 1 1 A 30 30 ALA C C 30 178.218 179.675 -1.457 1
1 97 . 5 1 1 A 30 30 ALA CA C 30 53.006 54.508 -1.502 1
1 98 . 5 1 1 A 30 30 ALA CB C 30 19.115 18.179 0.936 1
1 99 . 5 1 1 A 30 30 ALA N N 30 123.561 121.270 2.291 1
1 100 . 5 1 1 A 31 31 VAL H H 31 7.996 7.624 0.372 1
1 101 . 5 1 1 A 31 31 VAL HA H 31 4.010 3.657 0.353 1
1 109 . 5 1 1 A 31 31 VAL C C 31 175.417 177.567 -2.150 1
1 110 . 5 1 1 A 31 31 VAL CA C 31 62.896 66.687 -3.791 1
1 111 . 5 1 1 A 31 31 VAL CB C 31 32.567 31.741 0.826 1
1 114 . 5 1 1 A 31 31 VAL N N 31 118.676 117.995 0.681 1
1 115 . 5 1 1 A 32 32 ASN H H 32 8.364 8.210 0.154 1
1 116 . 5 1 1 A 32 32 ASN HA H 32 4.694 4.369 0.325 1
1 121 . 5 1 1 A 32 32 ASN C C 32 174.659 177.353 -2.694 1
1 122 . 5 1 1 A 32 32 ASN CA C 32 53.547 56.800 -3.253 1
1 123 . 5 1 1 A 32 32 ASN CB C 32 38.939 38.769 0.170 1
1 124 . 5 1 1 A 32 32 ASN N N 32 121.518 118.626 2.892 1
1 126 . 5 1 1 A 33 33 GLU H H 33 8.380 8.127 0.253 1
1 127 . 5 1 1 A 33 33 GLU HA H 33 4.240 4.019 0.221 1
1 132 . 5 1 1 A 33 33 GLU C C 33 176.641 178.974 -2.333 1
1 133 . 5 1 1 A 33 33 GLU CA C 33 57.074 58.867 -1.793 1
1 134 . 5 1 1 A 33 33 GLU CB C 33 30.212 28.296 1.916 1
1 136 . 5 1 1 A 33 33 GLU N N 33 121.497 117.139 4.358 1
1 137 . 5 1 1 A 34 34 GLN H H 34 8.333 7.782 0.551 1
1 138 . 5 1 1 A 34 34 GLN HA H 34 4.315 4.187 0.128 1
1 145 . 5 1 1 A 34 34 GLN C C 34 176.325 178.534 -2.209 1
1 146 . 5 1 1 A 34 34 GLN CA C 34 56.232 58.451 -2.219 1
1 147 . 5 1 1 A 34 34 GLN CB C 34 29.304 28.258 1.046 1
1 149 . 5 1 1 A 34 34 GLN N N 34 120.891 119.793 1.098 1
1 151 . 5 1 1 A 35 35 ILE H H 35 8.155 8.083 0.072 1
1 152 . 5 1 1 A 35 35 ILE HA H 35 4.116 3.848 0.268 1
1 162 . 5 1 1 A 35 35 ILE C C 35 176.203 176.838 -0.635 1
1 163 . 5 1 1 A 35 35 ILE CA C 35 61.645 64.627 -2.982 1
1 164 . 5 1 1 A 35 35 ILE CB C 35 38.640 37.246 1.394 1
1 168 . 5 1 1 A 35 35 ILE N N 35 121.784 119.483 2.301 1
1 169 . 5 1 1 A 36 36 ASN H H 36 8.504 7.842 0.662 1
1 170 . 5 1 1 A 36 36 ASN HA H 36 4.760 4.703 0.057 1
1 175 . 5 1 1 A 36 36 ASN C C 36 175.468 176.003 -0.535 1
1 176 . 5 1 1 A 36 36 ASN CA C 36 53.504 52.557 0.947 1
1 177 . 5 1 1 A 36 36 ASN CB C 36 38.947 38.315 0.632 1
1 178 . 5 1 1 A 36 36 ASN N N 36 122.204 118.522 3.682 1
1 180 . 5 1 1 A 37 37 SER H H 37 8.380 7.957 0.423 1
1 181 . 5 1 1 A 37 37 SER HA H 37 4.505 4.626 -0.121 1
1 184 . 5 1 1 A 37 37 SER C C 37 174.990 174.904 0.086 1
1 185 . 5 1 1 A 37 37 SER CA C 37 58.963 58.763 0.200 1
1 186 . 5 1 1 A 37 37 SER CB C 37 63.760 62.589 1.171 1
1 187 . 5 1 1 A 37 37 SER N N 37 116.788 115.047 1.741 1
1 188 . 5 1 1 A 38 38 THR H H 38 8.302 7.675 0.627 1
1 189 . 5 1 1 A 38 38 THR HA H 38 4.369 4.050 0.319 1
1 194 . 5 1 1 A 38 38 THR C C 38 175.437 177.231 -1.794 1
1 195 . 5 1 1 A 38 38 THR CA C 38 62.751 66.707 -3.956 1
1 196 . 5 1 1 A 38 38 THR CB C 38 69.838 68.247 1.591 1
1 198 . 5 1 1 A 38 38 THR N N 38 116.285 115.738 0.547 1
1 199 . 5 1 1 A 39 39 ILE H H 39 8.153 7.996 0.157 1
1 200 . 5 1 1 A 39 39 ILE HA H 39 4.080 3.523 0.557 1
1 210 . 5 1 1 A 39 39 ILE C C 39 176.850 178.365 -1.515 1
1 211 . 5 1 1 A 39 39 ILE CA C 39 62.295 65.168 -2.873 1
1 212 . 5 1 1 A 39 39 ILE CB C 39 38.373 37.270 1.103 1
1 216 . 5 1 1 A 39 39 ILE N N 39 123.148 121.711 1.437 1
1 217 . 5 1 1 A 40 40 GLU H H 40 8.438 8.363 0.075 1
1 218 . 5 1 1 A 40 40 GLU HA H 40 4.146 4.017 0.129 1
1 223 . 5 1 1 A 40 40 GLU C C 40 177.573 178.590 -1.017 1
1 224 . 5 1 1 A 40 40 GLU CA C 40 58.026 58.889 -0.863 1
1 225 . 5 1 1 A 40 40 GLU CB C 40 29.870 28.520 1.350 1
1 227 . 5 1 1 A 40 40 GLU N N 40 123.184 120.471 2.713 1
1 228 . 5 1 1 A 41 41 ASP H H 41 8.295 8.426 -0.131 1
1 229 . 5 1 1 A 41 41 ASP HA H 41 4.512 4.321 0.191 1
1 232 . 5 1 1 A 41 41 ASP C C 41 176.856 178.098 -1.242 1
1 233 . 5 1 1 A 41 41 ASP CA C 41 55.563 57.902 -2.339 1
1 234 . 5 1 1 A 41 41 ASP CB C 41 41.080 42.029 -0.949 1
1 235 . 5 1 1 A 41 41 ASP N N 41 121.311 120.885 0.426 1
1 236 . 5 1 1 A 42 42 ALA H H 42 8.098 7.420 0.678 1
1 237 . 5 1 1 A 42 42 ALA HA H 42 4.153 4.085 0.068 1
1 241 . 5 1 1 A 42 42 ALA C C 42 179.658 180.641 -0.983 1
1 242 . 5 1 1 A 42 42 ALA CA C 42 54.315 55.062 -0.747 1
1 243 . 5 1 1 A 42 42 ALA CB C 42 18.765 18.435 0.330 1
1 244 . 5 1 1 A 42 42 ALA N N 42 123.411 121.507 1.904 1
1 245 . 5 1 1 A 43 43 ILE H H 43 8.047 7.832 0.215 1
1 246 . 5 1 1 A 43 43 ILE HA H 43 3.904 3.783 0.121 1
1 256 . 5 1 1 A 43 43 ILE C C 43 176.603 178.208 -1.605 1
1 257 . 5 1 1 A 43 43 ILE CA C 43 63.028 64.291 -1.263 1
1 258 . 5 1 1 A 43 43 ILE CB C 43 38.140 37.261 0.879 1
1 262 . 5 1 1 A 43 43 ILE N N 43 119.853 118.465 1.388 1
1 263 . 5 1 1 A 44 44 ALA H H 44 8.072 7.929 0.143 1
1 264 . 5 1 1 A 44 44 ALA HA H 44 4.162 4.136 0.026 1
1 268 . 5 1 1 A 44 44 ALA C C 44 179.414 179.346 0.068 1
1 269 . 5 1 1 A 44 44 ALA CA C 44 54.011 54.990 -0.979 1
1 270 . 5 1 1 A 44 44 ALA CB C 44 18.614 18.167 0.447 1
1 271 . 5 1 1 A 44 44 ALA N N 44 124.814 124.429 0.385 1
1 272 . 5 1 1 A 45 45 ARG H H 45 8.177 7.743 0.434 1
1 273 . 5 1 1 A 45 45 ARG HA H 45 4.187 4.167 0.020 1
1 280 . 5 1 1 A 45 45 ARG C C 45 177.629 178.433 -0.804 1
1 281 . 5 1 1 A 45 45 ARG CA C 45 57.569 57.439 0.130 1
1 282 . 5 1 1 A 45 45 ARG CB C 45 30.600 30.120 0.480 1
1 285 . 5 1 1 A 45 45 ARG N N 45 118.718 116.501 2.217 1
1 286 . 5 1 1 A 46 46 ALA H H 46 8.004 7.539 0.465 1
1 287 . 5 1 1 A 46 46 ALA HA H 46 4.274 4.265 0.009 1
1 291 . 5 1 1 A 46 46 ALA C C 46 178.519 178.582 -0.063 1
1 292 . 5 1 1 A 46 46 ALA CA C 46 53.339 54.762 -1.423 1
1 293 . 5 1 1 A 46 46 ALA CB C 46 18.827 19.343 -0.516 1
1 294 . 5 1 1 A 46 46 ALA N N 46 123.416 122.450 0.966 1
1 295 . 5 1 1 A 47 47 ARG H H 47 8.082 7.687 0.395 1
1 296 . 5 1 1 A 47 47 ARG HA H 47 4.285 4.497 -0.212 1
1 303 . 5 1 1 A 47 47 ARG C C 47 177.103 176.705 0.398 1
1 304 . 5 1 1 A 47 47 ARG CA C 47 56.871 54.946 1.925 1
1 305 . 5 1 1 A 47 47 ARG CB C 47 30.655 31.539 -0.884 1
1 308 . 5 1 1 A 47 47 ARG N N 47 118.672 113.118 5.554 1
1 309 . 5 1 1 A 48 48 GLY H H 48 8.160 7.707 0.453 1
1 310 . 5 1 1 A 48 48 GLY HA2 H 48 3.976 3.911 0.065 1
1 311 . 5 1 1 A 48 48 GLY HA3 H 48 3.976 3.912 0.064 1
1 312 . 5 1 1 A 48 48 GLY C C 48 174.015 174.838 -0.823 1
1 313 . 5 1 1 A 48 48 GLY CA C 48 45.337 46.688 -1.351 1
1 314 . 5 1 1 A 48 48 GLY N N 48 108.533 109.593 -1.060 1
1 315 . 5 1 1 A 49 49 GLU H H 49 8.113 7.778 0.335 1
1 316 . 5 1 1 A 49 49 GLU HA H 49 4.317 4.050 0.267 1
1 321 . 5 1 1 A 49 49 GLU C C 49 176.216 177.038 -0.822 1
1 322 . 5 1 1 A 49 49 GLU CA C 49 56.125 58.761 -2.636 1
1 323 . 5 1 1 A 49 49 GLU CB C 49 30.497 29.960 0.537 1
1 325 . 5 1 1 A 49 49 GLU N N 49 120.272 120.122 0.150 1
1 326 . 5 1 1 A 50 50 ILE H H 50 8.203 7.860 0.343 1
1 327 . 5 1 1 A 50 50 ILE HA H 50 4.419 4.193 0.226 1
1 337 . 5 1 1 A 50 50 ILE CA C 50 58.687 60.168 -1.481 1
1 338 . 5 1 1 A 50 50 ILE CB C 50 38.623 38.273 0.350 1
1 342 . 5 1 1 A 50 50 ILE N N 50 123.785 120.385 3.400 1
1 343 . 5 1 1 A 51 51 PRO HA H 51 4.414 4.708 -0.294 1
1 350 . 5 1 1 A 51 51 PRO C C 51 176.785 177.062 -0.277 1
1 351 . 5 1 1 A 51 51 PRO CA C 51 63.188 62.088 1.100 1
1 352 . 5 1 1 A 51 51 PRO CB C 51 32.210 33.080 -0.870 1
1 355 . 5 1 1 A 52 52 ARG H H 52 8.545 8.723 -0.178 1
1 356 . 5 1 1 A 52 52 ARG HA H 52 4.300 4.039 0.261 1
1 363 . 5 1 1 A 52 52 ARG C C 52 176.985 177.398 -0.413 1
1 364 . 5 1 1 A 52 52 ARG CA C 52 56.493 59.088 -2.595 1
1 365 . 5 1 1 A 52 52 ARG CB C 52 30.944 29.956 0.988 1
1 368 . 5 1 1 A 52 52 ARG N N 52 122.009 120.218 1.791 1
1 369 . 5 1 1 A 53 53 GLY H H 53 8.504 8.113 0.391 1
1 370 . 5 1 1 A 53 53 GLY HA2 H 53 3.995 3.979 0.016 1
1 371 . 5 1 1 A 53 53 GLY HA3 H 53 3.934 3.979 -0.045 1
1 372 . 5 1 1 A 53 53 GLY C C 53 173.562 175.361 -1.799 1
1 373 . 5 1 1 A 53 53 GLY CA C 53 44.990 47.101 -2.111 1
1 374 . 5 1 1 A 53 53 GLY N N 53 110.270 107.413 2.857 1
1 375 . 5 1 1 A 54 54 GLU H H 54 8.216 8.302 -0.086 1
1 376 . 5 1 1 A 54 54 GLU HA H 54 4.364 4.135 0.229 1
1 381 . 5 1 1 A 54 54 GLU C C 54 177.145 177.595 -0.450 1
1 382 . 5 1 1 A 54 54 GLU CA C 54 55.883 58.923 -3.040 1
1 383 . 5 1 1 A 54 54 GLU CB C 54 30.696 29.803 0.893 1
1 385 . 5 1 1 A 54 54 GLU N N 54 119.939 123.842 -3.903 1
1 386 . 5 1 1 A 55 55 SER H H 55 8.916 7.856 1.060 1
1 387 . 5 1 1 A 55 55 SER HA H 55 4.544 4.340 0.204 1
1 390 . 5 1 1 A 55 55 SER C C 55 174.434 174.404 0.030 1
1 391 . 5 1 1 A 55 55 SER CA C 55 58.592 59.825 -1.233 1
1 392 . 5 1 1 A 55 55 SER CB C 55 63.662 63.594 0.068 1
1 393 . 5 1 1 A 55 55 SER N N 55 118.742 117.049 1.693 1
1 394 . 5 1 1 A 56 56 LEU H H 56 8.598 7.919 0.679 1
1 395 . 5 1 1 A 56 56 LEU HA H 56 4.343 4.592 -0.249 1
1 405 . 5 1 1 A 56 56 LEU C C 56 176.024 176.664 -0.640 1
1 406 . 5 1 1 A 56 56 LEU CA C 56 54.782 53.273 1.509 1
1 407 . 5 1 1 A 56 56 LEU CB C 56 42.106 44.046 -1.940 1
1 411 . 5 1 1 A 56 56 LEU N N 56 125.386 124.990 0.396 1
1 412 . 5 1 1 A 57 57 ASP H H 57 8.211 8.867 -0.656 1
1 413 . 5 1 1 A 57 57 ASP HA H 57 4.545 4.936 -0.391 1
1 416 . 5 1 1 A 57 57 ASP C C 57 176.869 174.983 1.886 1
1 417 . 5 1 1 A 57 57 ASP CA C 57 54.978 54.143 0.835 1
1 418 . 5 1 1 A 57 57 ASP CB C 57 41.477 41.686 -0.209 1
1 419 . 5 1 1 A 57 57 ASP N N 57 115.979 116.562 -0.583 1
1 420 . 5 1 1 A 58 58 GLU H H 58 7.469 7.721 -0.252 1
1 421 . 5 1 1 A 58 58 GLU HA H 58 4.717 4.664 0.053 1
1 426 . 5 1 1 A 58 58 GLU C C 58 174.081 175.245 -1.164 1
1 427 . 5 1 1 A 58 58 GLU CA C 58 54.280 55.211 -0.931 1
1 428 . 5 1 1 A 58 58 GLU CB C 58 32.995 31.237 1.758 1
1 430 . 5 1 1 A 58 58 GLU N N 58 118.912 118.199 0.713 1
1 431 . 5 1 1 A 59 59 CYS H H 59 9.364 8.729 0.635 1
1 432 . 5 1 1 A 59 59 CYS HA H 59 4.248 4.506 -0.258 1
1 435 . 5 1 1 A 59 59 CYS C C 59 178.266 176.409 1.857 1
1 436 . 5 1 1 A 59 59 CYS CA C 59 59.782 60.236 -0.454 1
1 437 . 5 1 1 A 59 59 CYS CB C 59 31.041 28.970 2.071 1
1 438 . 5 1 1 A 59 59 CYS N N 59 124.760 125.197 -0.437 1
1 439 . 5 1 1 A 60 60 GLU H H 60 9.202 8.916 0.286 1
1 440 . 5 1 1 A 60 60 GLU HA H 60 4.202 4.079 0.123 1
1 445 . 5 1 1 A 60 60 GLU C C 60 175.834 177.629 -1.795 1
1 446 . 5 1 1 A 60 60 GLU CA C 60 58.503 58.539 -0.036 1
1 447 . 5 1 1 A 60 60 GLU CB C 60 30.041 28.867 1.174 1
1 449 . 5 1 1 A 60 60 GLU N N 60 130.690 127.209 3.481 1
1 450 . 5 1 1 A 61 61 GLU H H 61 8.751 7.554 1.197 1
1 451 . 5 1 1 A 61 61 GLU HA H 61 4.542 4.401 0.141 1
1 456 . 5 1 1 A 61 61 GLU C C 61 177.312 178.248 -0.936 1
1 457 . 5 1 1 A 61 61 GLU CA C 61 58.094 58.364 -0.270 1
1 458 . 5 1 1 A 61 61 GLU CB C 61 31.037 30.869 0.168 1
1 460 . 5 1 1 A 61 61 GLU N N 61 120.904 118.151 2.753 1
1 461 . 5 1 1 A 62 62 CYS H H 62 8.401 7.825 0.576 1
1 462 . 5 1 1 A 62 62 CYS HA H 62 5.014 4.635 0.379 1
1 465 . 5 1 1 A 62 62 CYS C C 62 177.324 175.632 1.692 1
1 466 . 5 1 1 A 62 62 CYS CA C 62 59.127 58.548 0.579 1
1 467 . 5 1 1 A 62 62 CYS CB C 62 33.355 29.380 3.975 1
1 468 . 5 1 1 A 62 62 CYS N N 62 117.947 114.147 3.800 1
1 469 . 5 1 1 A 63 63 GLY H H 63 8.048 8.054 -0.006 1
1 470 . 5 1 1 A 63 63 GLY HA2 H 63 4.234 3.932 0.302 1
1 471 . 5 1 1 A 63 63 GLY HA3 H 63 3.820 3.935 -0.115 1
1 472 . 5 1 1 A 63 63 GLY C C 63 172.914 174.942 -2.028 1
1 473 . 5 1 1 A 63 63 GLY CA C 63 46.163 46.666 -0.503 1
1 474 . 5 1 1 A 63 63 GLY N N 63 113.407 111.471 1.936 1
1 475 . 5 1 1 A 64 64 ALA H H 64 9.148 8.027 1.121 1
1 476 . 5 1 1 A 64 64 ALA HA H 64 4.536 4.436 0.100 1
1 480 . 5 1 1 A 64 64 ALA CA C 64 51.510 50.697 0.813 1
1 481 . 5 1 1 A 64 64 ALA CB C 64 19.099 19.268 -0.169 1
1 482 . 5 1 1 A 64 64 ALA N N 64 127.297 123.507 3.790 1
1 483 . 5 1 1 A 65 65 PRO HA H 65 4.583 4.576 0.007 1
1 490 . 5 1 1 A 65 65 PRO C C 65 177.423 176.797 0.626 1
1 491 . 5 1 1 A 65 65 PRO CA C 65 63.020 62.977 0.043 1
1 492 . 5 1 1 A 65 65 PRO CB C 65 31.832 31.557 0.275 1
1 495 . 5 1 1 A 66 66 ILE H H 66 8.053 8.121 -0.068 1
1 496 . 5 1 1 A 66 66 ILE HA H 66 4.330 4.260 0.070 1
1 506 . 5 1 1 A 66 66 ILE CA C 66 58.847 60.113 -1.266 1
1 507 . 5 1 1 A 66 66 ILE CB C 66 38.162 38.238 -0.076 1
1 511 . 5 1 1 A 66 66 ILE N N 66 125.090 124.153 0.937 1
1 512 . 5 1 1 A 67 67 PRO HA H 67 4.447 4.587 -0.140 1
1 519 . 5 1 1 A 67 67 PRO C C 67 177.325 177.682 -0.357 1
1 520 . 5 1 1 A 67 67 PRO CA C 67 62.883 62.862 0.021 1
1 521 . 5 1 1 A 67 67 PRO CB C 67 32.692 32.418 0.274 1
1 524 . 5 1 1 A 68 68 GLN H H 68 8.982 8.564 0.418 1
1 525 . 5 1 1 A 68 68 GLN HA H 68 3.791 3.960 -0.169 1
1 532 . 5 1 1 A 68 68 GLN C C 68 177.316 178.233 -0.917 1
1 533 . 5 1 1 A 68 68 GLN CA C 68 59.491 58.281 1.210 1
1 534 . 5 1 1 A 68 68 GLN CB C 68 27.882 28.109 -0.227 1
1 536 . 5 1 1 A 68 68 GLN N N 68 124.876 122.208 2.668 1
1 538 . 5 1 1 A 69 69 ALA H H 69 8.892 8.438 0.454 1
1 539 . 5 1 1 A 69 69 ALA HA H 69 4.100 4.014 0.086 1
1 543 . 5 1 1 A 69 69 ALA C C 69 180.347 179.780 0.567 1
1 544 . 5 1 1 A 69 69 ALA CA C 69 55.209 55.350 -0.141 1
1 545 . 5 1 1 A 69 69 ALA CB C 69 18.097 18.187 -0.090 1
1 546 . 5 1 1 A 69 69 ALA N N 69 118.268 123.215 -4.947 1
1 547 . 5 1 1 A 70 70 ARG H H 70 7.020 7.739 -0.719 1
1 548 . 5 1 1 A 70 70 ARG HA H 70 4.234 4.047 0.187 1
1 555 . 5 1 1 A 70 70 ARG C C 70 176.438 178.678 -2.240 1
1 556 . 5 1 1 A 70 70 ARG CA C 70 58.791 59.308 -0.517 1
1 557 . 5 1 1 A 70 70 ARG CB C 70 29.544 29.750 -0.206 1
1 560 . 5 1 1 A 70 70 ARG N N 70 119.170 117.417 1.753 1
1 561 . 5 1 1 A 71 71 ARG H H 71 7.754 7.408 0.346 1
1 562 . 5 1 1 A 71 71 ARG HA H 71 3.807 4.133 -0.326 1
1 569 . 5 1 1 A 71 71 ARG C C 71 179.191 178.640 0.551 1
1 570 . 5 1 1 A 71 71 ARG CA C 71 59.782 59.305 0.477 1
1 571 . 5 1 1 A 71 71 ARG CB C 71 30.564 30.173 0.391 1
1 574 . 5 1 1 A 71 71 ARG N N 71 116.460 119.010 -2.550 1
1 575 . 5 1 1 A 72 72 GLU H H 72 8.062 8.072 -0.010 1
1 576 . 5 1 1 A 72 72 GLU HA H 72 4.014 4.101 -0.087 1
1 581 . 5 1 1 A 72 72 GLU C C 72 177.357 178.764 -1.407 1
1 582 . 5 1 1 A 72 72 GLU CA C 72 57.860 58.859 -0.999 1
1 583 . 5 1 1 A 72 72 GLU CB C 72 29.978 29.161 0.817 1
1 585 . 5 1 1 A 72 72 GLU N N 72 114.904 118.498 -3.594 1
1 586 . 5 1 1 A 73 73 ALA H H 73 7.686 7.528 0.158 1
1 587 . 5 1 1 A 73 73 ALA HA H 73 4.199 4.247 -0.048 1
1 591 . 5 1 1 A 73 73 ALA C C 73 178.246 177.337 0.909 1
1 592 . 5 1 1 A 73 73 ALA CA C 73 54.110 54.199 -0.089 1
1 593 . 5 1 1 A 73 73 ALA CB C 73 19.546 19.437 0.109 1
1 594 . 5 1 1 A 73 73 ALA N N 73 120.673 120.888 -0.215 1
1 595 . 5 1 1 A 74 74 ILE H H 74 7.609 8.047 -0.438 1
1 596 . 5 1 1 A 74 74 ILE HA H 74 4.318 4.381 -0.063 1
1 606 . 5 1 1 A 74 74 ILE CA C 74 57.722 57.856 -0.134 1
1 607 . 5 1 1 A 74 74 ILE CB C 74 38.313 38.644 -0.331 1
1 611 . 5 1 1 A 74 74 ILE N N 74 117.475 117.865 -0.390 1
1 612 . 5 1 1 A 75 75 PRO HA H 75 4.267 4.307 -0.040 1
1 619 . 5 1 1 A 75 75 PRO C C 75 179.050 177.789 1.261 1
1 620 . 5 1 1 A 75 75 PRO CA C 75 63.966 63.874 0.092 1
1 621 . 5 1 1 A 75 75 PRO CB C 75 31.409 31.358 0.051 1
1 624 . 5 1 1 A 76 76 GLY H H 76 8.594 8.769 -0.175 1
1 625 . 5 1 1 A 76 76 GLY HA2 H 76 4.081 3.911 0.170 1
1 626 . 5 1 1 A 76 76 GLY HA3 H 76 3.402 3.912 -0.510 1
1 627 . 5 1 1 A 76 76 GLY C C 76 174.447 174.766 -0.319 1
1 628 . 5 1 1 A 76 76 GLY CA C 76 45.138 46.476 -1.338 1
1 629 . 5 1 1 A 76 76 GLY N N 76 113.042 112.828 0.214 1
1 630 . 5 1 1 A 77 77 VAL H H 77 8.185 7.678 0.507 1
1 631 . 5 1 1 A 77 77 VAL HA H 77 3.955 4.088 -0.133 1
1 639 . 5 1 1 A 77 77 VAL C C 77 173.122 175.597 -2.475 1
1 640 . 5 1 1 A 77 77 VAL CA C 77 63.160 62.368 0.792 1
1 641 . 5 1 1 A 77 77 VAL CB C 77 30.748 32.476 -1.728 1
1 644 . 5 1 1 A 77 77 VAL N N 77 124.214 119.959 4.255 1
1 645 . 5 1 1 A 78 78 ARG H H 78 8.635 8.989 -0.354 1
1 646 . 5 1 1 A 78 78 ARG HA H 78 4.547 4.707 -0.160 1
1 653 . 5 1 1 A 78 78 ARG C C 78 173.948 175.639 -1.691 1
1 654 . 5 1 1 A 78 78 ARG CA C 78 55.410 56.316 -0.906 1
1 655 . 5 1 1 A 78 78 ARG CB C 78 33.618 32.232 1.386 1
1 658 . 5 1 1 A 78 78 ARG N N 78 121.505 125.374 -3.869 1
1 659 . 5 1 1 A 79 79 LEU H H 79 7.037 7.720 -0.683 1
1 660 . 5 1 1 A 79 79 LEU HA H 79 6.078 4.775 1.303 1
1 670 . 5 1 1 A 79 79 LEU C C 79 178.615 176.554 2.061 1
1 671 . 5 1 1 A 79 79 LEU CA C 79 52.286 53.114 -0.828 1
1 672 . 5 1 1 A 79 79 LEU CB C 79 46.763 44.069 2.694 1
1 676 . 5 1 1 A 79 79 LEU N N 79 116.511 119.863 -3.352 1
1 677 . 5 1 1 A 80 80 CYS H H 80 9.639 8.836 0.803 1
1 678 . 5 1 1 A 80 80 CYS HA H 80 4.595 4.573 0.022 1
1 681 . 5 1 1 A 80 80 CYS C C 80 174.898 175.399 -0.501 1
1 682 . 5 1 1 A 80 80 CYS CA C 80 57.983 58.473 -0.490 1
1 683 . 5 1 1 A 80 80 CYS CB C 80 31.306 29.570 1.736 1
1 684 . 5 1 1 A 80 80 CYS N N 80 121.517 123.063 -1.546 1
1 685 . 5 1 1 A 81 81 ILE H H 81 9.215 8.540 0.675 1
1 686 . 5 1 1 A 81 81 ILE HA H 81 3.836 3.827 0.009 1
1 696 . 5 1 1 A 81 81 ILE C C 81 176.081 177.490 -1.409 1
1 697 . 5 1 1 A 81 81 ILE CA C 81 63.715 64.287 -0.572 1
1 698 . 5 1 1 A 81 81 ILE CB C 81 38.309 37.739 0.570 1
1 702 . 5 1 1 A 81 81 ILE N N 81 119.426 123.001 -3.575 1
1 703 . 5 1 1 A 82 82 HIS H H 82 7.439 7.787 -0.348 1
1 704 . 5 1 1 A 82 82 HIS HA H 82 4.354 4.398 -0.044 1
1 709 . 5 1 1 A 82 82 HIS C C 82 178.603 178.440 0.163 1
1 710 . 5 1 1 A 82 82 HIS CA C 82 59.802 59.568 0.234 1
1 711 . 5 1 1 A 82 82 HIS CB C 82 30.164 29.395 0.769 1
1 714 . 5 1 1 A 82 82 HIS N N 82 122.605 119.377 3.228 1
1 715 . 5 1 1 A 83 83 CYS H H 83 8.960 7.969 0.991 1
1 716 . 5 1 1 A 83 83 CYS HA H 83 3.995 4.570 -0.575 1
1 719 . 5 1 1 A 83 83 CYS C C 83 178.676 177.109 1.567 1
1 720 . 5 1 1 A 83 83 CYS CA C 83 64.648 61.525 3.123 1
1 721 . 5 1 1 A 83 83 CYS CB C 83 29.618 26.504 3.114 1
1 722 . 5 1 1 A 83 83 CYS N N 83 124.742 117.611 7.131 1
1 723 . 5 1 1 A 84 84 GLN H H 84 8.525 8.135 0.390 1
1 724 . 5 1 1 A 84 84 GLN HA H 84 3.812 4.081 -0.269 1
1 731 . 5 1 1 A 84 84 GLN C C 84 177.478 178.326 -0.848 1
1 732 . 5 1 1 A 84 84 GLN CA C 84 58.750 58.920 -0.170 1
1 733 . 5 1 1 A 84 84 GLN CB C 84 28.372 28.668 -0.296 1
1 735 . 5 1 1 A 84 84 GLN N N 84 120.642 121.252 -0.610 1
1 737 . 5 1 1 A 85 85 GLN H H 85 8.100 8.263 -0.163 1
1 738 . 5 1 1 A 85 85 GLN HA H 85 4.117 4.025 0.092 1
1 745 . 5 1 1 A 85 85 GLN C C 85 178.483 178.089 0.394 1
1 746 . 5 1 1 A 85 85 GLN CA C 85 58.857 58.696 0.161 1
1 747 . 5 1 1 A 85 85 GLN CB C 85 28.261 28.091 0.170 1
1 749 . 5 1 1 A 85 85 GLN N N 85 118.154 117.715 0.439 1
1 751 . 5 1 1 A 86 86 GLU H H 86 7.657 7.917 -0.260 1
1 752 . 5 1 1 A 86 86 GLU HA H 86 4.049 4.075 -0.026 1
1 757 . 5 1 1 A 86 86 GLU C C 86 178.798 178.569 0.229 1
1 758 . 5 1 1 A 86 86 GLU CA C 86 58.852 59.462 -0.610 1
1 759 . 5 1 1 A 86 86 GLU CB C 86 29.716 29.252 0.464 1
1 761 . 5 1 1 A 86 86 GLU N N 86 118.055 119.165 -1.110 1
1 762 . 5 1 1 A 87 87 LYS H H 87 7.799 8.013 -0.214 1
1 763 . 5 1 1 A 87 87 LYS HA H 87 4.056 4.137 -0.081 1
1 772 . 5 1 1 A 87 87 LYS C C 87 179.025 179.353 -0.328 1
1 773 . 5 1 1 A 87 87 LYS CA C 87 58.452 58.848 -0.396 1
1 774 . 5 1 1 A 87 87 LYS CB C 87 32.067 32.025 0.042 1
1 778 . 5 1 1 A 87 87 LYS N N 87 119.741 119.431 0.310 1
1 779 . 5 1 1 A 88 88 ASP H H 88 8.300 8.150 0.150 1
1 780 . 5 1 1 A 88 88 ASP HA H 88 4.461 4.426 0.035 1
1 783 . 5 1 1 A 88 88 ASP C C 88 177.597 178.315 -0.718 1
1 784 . 5 1 1 A 88 88 ASP CA C 88 56.228 56.394 -0.166 1
1 785 . 5 1 1 A 88 88 ASP CB C 88 40.500 40.926 -0.426 1
1 786 . 5 1 1 A 88 88 ASP N N 88 119.700 119.720 -0.020 1
1 787 . 5 1 1 A 89 89 LEU H H 89 7.672 7.734 -0.062 1
1 788 . 5 1 1 A 89 89 LEU HA H 89 4.227 4.110 0.117 1
1 798 . 5 1 1 A 89 89 LEU C C 89 177.757 178.694 -0.937 1
1 799 . 5 1 1 A 89 89 LEU CA C 89 55.938 57.542 -1.604 1
1 800 . 5 1 1 A 89 89 LEU CB C 89 42.267 41.458 0.809 1
1 804 . 5 1 1 A 89 89 LEU N N 89 119.729 118.649 1.080 1
1 805 . 5 1 1 A 90 90 GLN H H 90 7.823 7.196 0.627 1
1 806 . 5 1 1 A 90 90 GLN HA H 90 4.264 4.333 -0.069 1
1 813 . 5 1 1 A 90 90 GLN C C 90 175.896 176.441 -0.545 1
1 814 . 5 1 1 A 90 90 GLN CA C 90 55.828 56.526 -0.698 1
1 815 . 5 1 1 A 90 90 GLN CB C 90 28.871 28.921 -0.050 1
1 817 . 5 1 1 A 90 90 GLN N N 90 118.133 116.075 2.058 1
1 819 . 5 1 1 A 91 91 LYS H H 91 8.016 7.327 0.689 1
1 820 . 5 1 1 A 91 91 LYS HA H 91 4.561 4.391 0.170 1
1 829 . 5 1 1 A 91 91 LYS CA C 91 54.567 54.999 -0.432 1
1 830 . 5 1 1 A 91 91 LYS CB C 91 32.373 32.426 -0.053 1
1 834 . 5 1 1 A 91 91 LYS N N 91 122.571 121.104 1.467 1
1 835 . 5 1 1 A 92 92 PRO HA H 92 4.372 4.395 -0.023 1
1 842 . 5 1 1 A 92 92 PRO C C 92 176.665 177.067 -0.402 1
1 843 . 5 1 1 A 92 92 PRO CA C 92 63.251 64.629 -1.378 1
1 844 . 5 1 1 A 92 92 PRO CB C 92 32.073 31.603 0.470 1
1 847 . 5 1 1 A 93 93 ALA H H 93 8.364 7.977 0.387 1
1 848 . 5 1 1 A 93 93 ALA HA H 93 4.245 3.996 0.249 1
1 852 . 5 1 1 A 93 93 ALA C C 93 177.504 175.693 1.811 1
1 853 . 5 1 1 A 93 93 ALA CA C 93 52.458 53.774 -1.316 1
1 854 . 5 1 1 A 93 93 ALA CB C 93 19.247 17.997 1.250 1
1 855 . 5 1 1 A 93 93 ALA N N 93 123.718 119.560 4.158 1
1 856 . 5 1 1 A 94 94 TYR H H 94 8.153 7.282 0.871 1
1 857 . 5 1 1 A 94 94 TYR HA H 94 4.626 5.184 -0.558 1
1 864 . 5 1 1 A 94 94 TYR C C 94 176.141 173.026 3.115 1
1 865 . 5 1 1 A 94 94 TYR CA C 94 57.859 56.075 1.784 1
1 866 . 5 1 1 A 94 94 TYR CB C 94 38.793 40.617 -1.824 1
1 871 . 5 1 1 A 94 94 TYR N N 94 119.293 112.648 6.645 1
1 872 . 5 1 1 A 95 95 THR H H 95 8.119 9.148 -1.029 1
1 873 . 5 1 1 A 95 95 THR HA H 95 4.286 5.192 -0.906 1
1 878 . 5 1 1 A 95 95 THR C C 95 174.813 173.948 0.865 1
1 879 . 5 1 1 A 95 95 THR CA C 95 61.758 60.473 1.285 1
1 880 . 5 1 1 A 95 95 THR CB C 95 69.860 70.759 -0.899 1
1 882 . 5 1 1 A 95 95 THR N N 95 115.890 112.934 2.956 1
1 883 . 5 1 1 A 96 96 GLY H H 96 7.669 9.113 -1.444 1
1 884 . 5 1 1 A 96 96 GLY HA2 H 96 3.875 4.297 -0.422 1
1 885 . 5 1 1 A 96 96 GLY HA3 H 96 3.822 4.306 -0.484 1
1 886 . 5 1 1 A 96 96 GLY C C 96 173.774 172.439 1.335 1
1 887 . 5 1 1 A 96 96 GLY CA C 96 45.320 45.114 0.206 1
1 888 . 5 1 1 A 96 96 GLY N N 96 110.133 111.562 -1.429 1
1 889 . 5 1 1 A 97 97 TYR H H 97 8.028 8.527 -0.499 1
1 890 . 5 1 1 A 97 97 TYR HA H 97 4.510 5.307 -0.797 1
1 897 . 5 1 1 A 97 97 TYR CA C 97 58.115 56.449 1.666 1
1 898 . 5 1 1 A 97 97 TYR CB C 97 38.769 40.895 -2.126 1
1 903 . 5 1 1 A 97 97 TYR N N 97 119.945 119.762 0.183 1
1 904 . 5 1 1 A 98 98 ASN HA H 98 4.641 5.414 -0.773 1
1 909 . 5 1 1 A 98 98 ASN C C 98 174.882 174.077 0.805 1
1 910 . 5 1 1 A 98 98 ASN CA C 98 53.067 51.878 1.189 1
1 911 . 5 1 1 A 98 98 ASN CB C 98 38.835 40.419 -1.584 1
1 913 . 5 1 1 A 99 99 ARG H H 99 8.226 9.099 -0.873 1
1 914 . 5 1 1 A 99 99 ARG HA H 99 4.259 4.788 -0.529 1
1 921 . 5 1 1 A 99 99 ARG C C 99 176.406 175.155 1.251 1
1 922 . 5 1 1 A 99 99 ARG CA C 99 56.464 54.606 1.858 1
1 923 . 5 1 1 A 99 99 ARG CB C 99 30.588 31.099 -0.511 1
1 926 . 5 1 1 A 99 99 ARG N N 99 121.620 125.936 -4.316 1
1 927 . 5 1 1 A 100 100 ARG H H 100 8.398 8.706 -0.308 1
1 928 . 5 1 1 A 100 100 ARG N N 100 121.935 124.764 -2.829 1
1 929 . 5 1 1 A 101 101 GLY HA2 H 101 3.835 3.808 0.027 1
1 930 . 5 1 1 A 101 101 GLY HA3 H 101 3.835 3.812 0.023 1
1 931 . 5 1 1 A 101 101 GLY CA C 101 43.935 47.379 -3.444 1
1 932 . 5 1 1 A 102 102 SER HA H 102 4.460 4.196 0.264 1
1 935 . 5 1 1 A 102 102 SER CA C 102 58.458 60.153 -1.695 1
1 936 . 5 1 1 A 102 102 SER CB C 102 64.128 61.260 2.868 1
1 937 . 5 1 1 A 103 103 LYS H H 103 8.524 7.738 0.786 1
1 938 . 5 1 1 A 103 103 LYS HA H 103 4.305 4.602 -0.297 1
1 947 . 5 1 1 A 103 103 LYS CA C 103 56.788 55.071 1.717 1
1 948 . 5 1 1 A 103 103 LYS CB C 103 32.766 34.349 -1.583 1
1 952 . 5 1 1 A 103 103 LYS N N 103 123.092 120.903 2.189 1
1 953 . 5 1 1 A 104 104 ASP H H 104 8.316 8.705 -0.389 1
1 954 . 5 1 1 A 104 104 ASP HA H 104 4.612 4.659 -0.047 1
1 957 . 5 1 1 A 104 104 ASP C C 104 176.493 176.789 -0.296 1
1 958 . 5 1 1 A 104 104 ASP CA C 104 54.704 53.398 1.306 1
1 959 . 5 1 1 A 104 104 ASP CB C 104 41.277 40.531 0.746 1
1 960 . 5 1 1 A 104 104 ASP N N 104 120.807 125.410 -4.603 1
1 961 . 5 1 1 A 105 105 SER H H 105 8.215 8.750 -0.535 1
1 962 . 5 1 1 A 105 105 SER HA H 105 4.390 4.569 -0.179 1
1 965 . 5 1 1 A 105 105 SER C C 105 174.659 174.172 0.487 1
1 966 . 5 1 1 A 105 105 SER CA C 105 58.889 58.444 0.445 1
1 967 . 5 1 1 A 105 105 SER CB C 105 63.781 63.713 0.068 1
1 968 . 5 1 1 A 105 105 SER N N 105 116.100 122.378 -6.278 1
1 969 . 5 1 1 A 106 106 GLN H H 106 8.396 7.550 0.846 1
1 970 . 5 1 1 A 106 106 GLN HA H 106 4.344 4.497 -0.153 1
1 977 . 5 1 1 A 106 106 GLN C C 106 175.746 175.443 0.303 1
1 978 . 5 1 1 A 106 106 GLN CA C 106 55.981 54.545 1.436 1
1 979 . 5 1 1 A 106 106 GLN CB C 106 29.351 27.165 2.186 1
1 981 . 5 1 1 A 106 106 GLN N N 106 121.640 120.116 1.524 1
1 983 . 5 1 1 A 107 107 LEU H H 107 8.172 7.690 0.482 1
1 984 . 5 1 1 A 107 107 LEU HA H 107 4.348 4.379 -0.031 1
1 994 . 5 1 1 A 107 107 LEU C C 107 176.328 176.046 0.282 1
1 995 . 5 1 1 A 107 107 LEU CA C 107 55.385 54.224 1.161 1
1 996 . 5 1 1 A 107 107 LEU CB C 107 42.163 40.948 1.215 1
1 1000 . 5 1 1 A 107 107 LEU N N 107 123.200 122.161 1.039 1
1 12 . 6 1 1 A 22 22 ALA H H 22 8.289 8.623 -0.334 1
1 13 . 6 1 1 A 22 22 ALA HA H 22 4.277 4.136 0.141 1
1 17 . 6 1 1 A 22 22 ALA C C 22 177.730 176.337 1.393 1
1 18 . 6 1 1 A 22 22 ALA CA C 22 52.742 51.833 0.909 1
1 19 . 6 1 1 A 22 22 ALA CB C 22 19.263 17.509 1.754 1
1 20 . 6 1 1 A 22 22 ALA N N 22 125.042 130.304 -5.262 1
1 21 . 6 1 1 A 23 23 SER H H 23 8.253 8.751 -0.498 1
1 22 . 6 1 1 A 23 23 SER HA H 23 4.374 4.898 -0.524 1
1 25 . 6 1 1 A 23 23 SER C C 23 175.066 174.343 0.723 1
1 26 . 6 1 1 A 23 23 SER CA C 23 58.670 57.898 0.772 1
1 27 . 6 1 1 A 23 23 SER CB C 23 63.822 66.113 -2.291 1
1 28 . 6 1 1 A 23 23 SER N N 23 114.713 117.741 -3.028 1
1 29 . 6 1 1 A 24 24 GLY H H 24 8.368 9.039 -0.671 1
1 30 . 6 1 1 A 24 24 GLY HA2 H 24 3.945 4.043 -0.098 1
1 31 . 6 1 1 A 24 24 GLY HA3 H 24 3.886 4.093 -0.207 1
1 32 . 6 1 1 A 24 24 GLY C C 24 173.906 175.256 -1.350 1
1 33 . 6 1 1 A 24 24 GLY CA C 24 45.410 45.600 -0.190 1
1 34 . 6 1 1 A 24 24 GLY N N 24 110.595 116.804 -6.209 1
1 35 . 6 1 1 A 25 25 TRP H H 25 7.961 8.576 -0.615 1
1 36 . 6 1 1 A 25 25 TRP HA H 25 4.632 4.464 0.168 1
1 45 . 6 1 1 A 25 25 TRP C C 25 175.880 177.160 -1.280 1
1 46 . 6 1 1 A 25 25 TRP CA C 25 57.289 60.123 -2.834 1
1 47 . 6 1 1 A 25 25 TRP CB C 25 29.725 28.211 1.514 1
1 53 . 6 1 1 A 25 25 TRP N N 25 120.881 121.133 -0.252 1
1 55 . 6 1 1 A 26 26 ALA H H 26 8.129 6.881 1.248 1
1 56 . 6 1 1 A 26 26 ALA HA H 26 4.222 4.290 -0.068 1
1 60 . 6 1 1 A 26 26 ALA C C 26 176.977 176.037 0.940 1
1 61 . 6 1 1 A 26 26 ALA CA C 26 52.345 51.134 1.211 1
1 62 . 6 1 1 A 26 26 ALA CB C 26 19.414 20.658 -1.244 1
1 63 . 6 1 1 A 26 26 ALA N N 26 125.541 120.306 5.235 1
1 64 . 6 1 1 A 27 27 ASN H H 27 8.139 7.421 0.718 1
1 65 . 6 1 1 A 27 27 ASN HA H 27 4.581 4.753 -0.172 1
1 70 . 6 1 1 A 27 27 ASN C C 27 175.044 173.692 1.352 1
1 71 . 6 1 1 A 27 27 ASN CA C 27 53.260 52.051 1.209 1
1 72 . 6 1 1 A 27 27 ASN CB C 27 39.022 37.209 1.813 1
1 73 . 6 1 1 A 27 27 ASN N N 27 117.794 117.776 0.018 1
1 75 . 6 1 1 A 28 28 ASP H H 28 8.286 7.966 0.320 1
1 76 . 6 1 1 A 28 28 ASP HA H 28 4.581 4.795 -0.214 1
1 79 . 6 1 1 A 28 28 ASP C C 28 176.163 175.978 0.185 1
1 80 . 6 1 1 A 28 28 ASP CA C 28 54.629 53.293 1.336 1
1 81 . 6 1 1 A 28 28 ASP CB C 28 41.129 42.552 -1.423 1
1 82 . 6 1 1 A 28 28 ASP N N 28 120.788 123.569 -2.781 1
1 83 . 6 1 1 A 29 29 ASP H H 29 8.287 8.689 -0.402 1
1 84 . 6 1 1 A 29 29 ASP HA H 29 4.546 4.341 0.205 1
1 87 . 6 1 1 A 29 29 ASP C C 29 176.359 177.583 -1.224 1
1 88 . 6 1 1 A 29 29 ASP CA C 29 54.883 56.829 -1.946 1
1 89 . 6 1 1 A 29 29 ASP CB C 29 41.050 40.839 0.211 1
1 90 . 6 1 1 A 29 29 ASP N N 29 120.641 123.131 -2.490 1
1 91 . 6 1 1 A 30 30 ALA H H 30 8.141 7.706 0.435 1
1 92 . 6 1 1 A 30 30 ALA HA H 30 4.278 4.380 -0.102 1
1 96 . 6 1 1 A 30 30 ALA C C 30 178.218 177.905 0.313 1
1 97 . 6 1 1 A 30 30 ALA CA C 30 53.006 53.120 -0.114 1
1 98 . 6 1 1 A 30 30 ALA CB C 30 19.115 18.067 1.048 1
1 99 . 6 1 1 A 30 30 ALA N N 30 123.561 120.880 2.681 1
1 100 . 6 1 1 A 31 31 VAL H H 31 7.996 7.975 0.021 1
1 101 . 6 1 1 A 31 31 VAL HA H 31 4.010 4.374 -0.364 1
1 109 . 6 1 1 A 31 31 VAL C C 31 175.417 177.355 -1.938 1
1 110 . 6 1 1 A 31 31 VAL CA C 31 62.896 62.831 0.065 1
1 111 . 6 1 1 A 31 31 VAL CB C 31 32.567 34.205 -1.638 1
1 114 . 6 1 1 A 31 31 VAL N N 31 118.676 117.334 1.342 1
1 115 . 6 1 1 A 32 32 ASN H H 32 8.364 7.712 0.652 1
1 116 . 6 1 1 A 32 32 ASN HA H 32 4.694 4.401 0.293 1
1 121 . 6 1 1 A 32 32 ASN C C 32 174.659 177.210 -2.551 1
1 122 . 6 1 1 A 32 32 ASN CA C 32 53.547 56.596 -3.049 1
1 123 . 6 1 1 A 32 32 ASN CB C 32 38.939 38.637 0.302 1
1 124 . 6 1 1 A 32 32 ASN N N 32 121.518 120.369 1.149 1
1 126 . 6 1 1 A 33 33 GLU H H 33 8.380 8.749 -0.369 1
1 127 . 6 1 1 A 33 33 GLU HA H 33 4.240 4.050 0.190 1
1 132 . 6 1 1 A 33 33 GLU C C 33 176.641 177.483 -0.842 1
1 133 . 6 1 1 A 33 33 GLU CA C 33 57.074 58.700 -1.626 1
1 134 . 6 1 1 A 33 33 GLU CB C 33 30.212 28.292 1.920 1
1 136 . 6 1 1 A 33 33 GLU N N 33 121.497 116.859 4.638 1
1 137 . 6 1 1 A 34 34 GLN H H 34 8.333 7.919 0.414 1
1 138 . 6 1 1 A 34 34 GLN HA H 34 4.315 4.228 0.087 1
1 145 . 6 1 1 A 34 34 GLN C C 34 176.325 177.042 -0.717 1
1 146 . 6 1 1 A 34 34 GLN CA C 34 56.232 56.947 -0.715 1
1 147 . 6 1 1 A 34 34 GLN CB C 34 29.304 28.502 0.802 1
1 149 . 6 1 1 A 34 34 GLN N N 34 120.891 117.438 3.453 1
1 151 . 6 1 1 A 35 35 ILE H H 35 8.155 7.800 0.355 1
1 152 . 6 1 1 A 35 35 ILE HA H 35 4.116 3.951 0.165 1
1 162 . 6 1 1 A 35 35 ILE C C 35 176.203 176.970 -0.767 1
1 163 . 6 1 1 A 35 35 ILE CA C 35 61.645 63.866 -2.221 1
1 164 . 6 1 1 A 35 35 ILE CB C 35 38.640 37.393 1.247 1
1 168 . 6 1 1 A 35 35 ILE N N 35 121.784 118.451 3.333 1
1 169 . 6 1 1 A 36 36 ASN H H 36 8.504 7.824 0.680 1
1 170 . 6 1 1 A 36 36 ASN HA H 36 4.760 5.059 -0.299 1
1 175 . 6 1 1 A 36 36 ASN C C 36 175.468 176.071 -0.603 1
1 176 . 6 1 1 A 36 36 ASN CA C 36 53.504 53.066 0.438 1
1 177 . 6 1 1 A 36 36 ASN CB C 36 38.947 39.109 -0.162 1
1 178 . 6 1 1 A 36 36 ASN N N 36 122.204 118.944 3.260 1
1 180 . 6 1 1 A 37 37 SER H H 37 8.380 8.192 0.188 1
1 181 . 6 1 1 A 37 37 SER HA H 37 4.505 4.254 0.251 1
1 184 . 6 1 1 A 37 37 SER C C 37 174.990 176.802 -1.812 1
1 185 . 6 1 1 A 37 37 SER CA C 37 58.963 61.655 -2.692 1
1 186 . 6 1 1 A 37 37 SER CB C 37 63.760 62.967 0.793 1
1 187 . 6 1 1 A 37 37 SER N N 37 116.788 114.747 2.041 1
1 188 . 6 1 1 A 38 38 THR H H 38 8.302 7.735 0.567 1
1 189 . 6 1 1 A 38 38 THR HA H 38 4.369 4.166 0.203 1
1 194 . 6 1 1 A 38 38 THR C C 38 175.437 176.850 -1.413 1
1 195 . 6 1 1 A 38 38 THR CA C 38 62.751 66.408 -3.657 1
1 196 . 6 1 1 A 38 38 THR CB C 38 69.838 68.382 1.456 1
1 198 . 6 1 1 A 38 38 THR N N 38 116.285 115.709 0.576 1
1 199 . 6 1 1 A 39 39 ILE H H 39 8.153 7.551 0.602 1
1 200 . 6 1 1 A 39 39 ILE HA H 39 4.080 3.578 0.502 1
1 210 . 6 1 1 A 39 39 ILE C C 39 176.850 177.984 -1.134 1
1 211 . 6 1 1 A 39 39 ILE CA C 39 62.295 65.174 -2.879 1
1 212 . 6 1 1 A 39 39 ILE CB C 39 38.373 37.411 0.962 1
1 216 . 6 1 1 A 39 39 ILE N N 39 123.148 122.087 1.061 1
1 217 . 6 1 1 A 40 40 GLU H H 40 8.438 8.363 0.075 1
1 218 . 6 1 1 A 40 40 GLU HA H 40 4.146 4.014 0.132 1
1 223 . 6 1 1 A 40 40 GLU C C 40 177.573 178.455 -0.882 1
1 224 . 6 1 1 A 40 40 GLU CA C 40 58.026 59.085 -1.059 1
1 225 . 6 1 1 A 40 40 GLU CB C 40 29.870 28.851 1.019 1
1 227 . 6 1 1 A 40 40 GLU N N 40 123.184 120.435 2.749 1
1 228 . 6 1 1 A 41 41 ASP H H 41 8.295 8.028 0.267 1
1 229 . 6 1 1 A 41 41 ASP HA H 41 4.512 4.411 0.101 1
1 232 . 6 1 1 A 41 41 ASP C C 41 176.856 178.654 -1.798 1
1 233 . 6 1 1 A 41 41 ASP CA C 41 55.563 57.038 -1.475 1
1 234 . 6 1 1 A 41 41 ASP CB C 41 41.080 40.819 0.261 1
1 235 . 6 1 1 A 41 41 ASP N N 41 121.311 120.588 0.723 1
1 236 . 6 1 1 A 42 42 ALA H H 42 8.098 7.657 0.441 1
1 237 . 6 1 1 A 42 42 ALA HA H 42 4.153 4.056 0.097 1
1 241 . 6 1 1 A 42 42 ALA C C 42 179.658 180.214 -0.556 1
1 242 . 6 1 1 A 42 42 ALA CA C 42 54.315 55.121 -0.806 1
1 243 . 6 1 1 A 42 42 ALA CB C 42 18.765 18.449 0.316 1
1 244 . 6 1 1 A 42 42 ALA N N 42 123.411 121.917 1.494 1
1 245 . 6 1 1 A 43 43 ILE H H 43 8.047 7.465 0.582 1
1 246 . 6 1 1 A 43 43 ILE HA H 43 3.904 3.819 0.085 1
1 256 . 6 1 1 A 43 43 ILE C C 43 176.603 177.889 -1.286 1
1 257 . 6 1 1 A 43 43 ILE CA C 43 63.028 63.869 -0.841 1
1 258 . 6 1 1 A 43 43 ILE CB C 43 38.140 37.225 0.915 1
1 262 . 6 1 1 A 43 43 ILE N N 43 119.853 118.576 1.277 1
1 263 . 6 1 1 A 44 44 ALA H H 44 8.072 7.929 0.143 1
1 264 . 6 1 1 A 44 44 ALA HA H 44 4.162 4.095 0.067 1
1 268 . 6 1 1 A 44 44 ALA C C 44 179.414 178.850 0.564 1
1 269 . 6 1 1 A 44 44 ALA CA C 44 54.011 54.897 -0.886 1
1 270 . 6 1 1 A 44 44 ALA CB C 44 18.614 18.247 0.367 1
1 271 . 6 1 1 A 44 44 ALA N N 44 124.814 123.979 0.835 1
1 272 . 6 1 1 A 45 45 ARG H H 45 8.177 7.946 0.231 1
1 273 . 6 1 1 A 45 45 ARG HA H 45 4.187 4.226 -0.039 1
1 280 . 6 1 1 A 45 45 ARG C C 45 177.629 178.502 -0.873 1
1 281 . 6 1 1 A 45 45 ARG CA C 45 57.569 57.134 0.435 1
1 282 . 6 1 1 A 45 45 ARG CB C 45 30.600 30.607 -0.007 1
1 285 . 6 1 1 A 45 45 ARG N N 45 118.718 116.612 2.106 1
1 286 . 6 1 1 A 46 46 ALA H H 46 8.004 7.661 0.343 1
1 287 . 6 1 1 A 46 46 ALA HA H 46 4.274 4.158 0.116 1
1 291 . 6 1 1 A 46 46 ALA C C 46 178.519 178.203 0.316 1
1 292 . 6 1 1 A 46 46 ALA CA C 46 53.339 54.821 -1.482 1
1 293 . 6 1 1 A 46 46 ALA CB C 46 18.827 19.013 -0.186 1
1 294 . 6 1 1 A 46 46 ALA N N 46 123.416 123.471 -0.055 1
1 295 . 6 1 1 A 47 47 ARG H H 47 8.082 7.194 0.888 1
1 296 . 6 1 1 A 47 47 ARG HA H 47 4.285 4.465 -0.180 1
1 303 . 6 1 1 A 47 47 ARG C C 47 177.103 176.605 0.498 1
1 304 . 6 1 1 A 47 47 ARG CA C 47 56.871 55.326 1.545 1
1 305 . 6 1 1 A 47 47 ARG CB C 47 30.655 32.250 -1.595 1
1 308 . 6 1 1 A 47 47 ARG N N 47 118.672 113.647 5.025 1
1 309 . 6 1 1 A 48 48 GLY H H 48 8.160 7.987 0.173 1
1 310 . 6 1 1 A 48 48 GLY HA2 H 48 3.976 3.972 0.004 1
1 311 . 6 1 1 A 48 48 GLY HA3 H 48 3.976 3.972 0.004 1
1 312 . 6 1 1 A 48 48 GLY C C 48 174.015 175.139 -1.124 1
1 313 . 6 1 1 A 48 48 GLY CA C 48 45.337 46.494 -1.157 1
1 314 . 6 1 1 A 48 48 GLY N N 48 108.533 109.033 -0.500 1
1 315 . 6 1 1 A 49 49 GLU H H 49 8.113 8.100 0.013 1
1 316 . 6 1 1 A 49 49 GLU HA H 49 4.317 4.043 0.274 1
1 321 . 6 1 1 A 49 49 GLU C C 49 176.216 176.972 -0.756 1
1 322 . 6 1 1 A 49 49 GLU CA C 49 56.125 59.217 -3.092 1
1 323 . 6 1 1 A 49 49 GLU CB C 49 30.497 29.820 0.677 1
1 325 . 6 1 1 A 49 49 GLU N N 49 120.272 120.323 -0.051 1
1 326 . 6 1 1 A 50 50 ILE H H 50 8.203 7.897 0.306 1
1 327 . 6 1 1 A 50 50 ILE HA H 50 4.419 4.199 0.220 1
1 337 . 6 1 1 A 50 50 ILE CA C 50 58.687 60.323 -1.636 1
1 338 . 6 1 1 A 50 50 ILE CB C 50 38.623 38.376 0.247 1
1 342 . 6 1 1 A 50 50 ILE N N 50 123.785 120.502 3.283 1
1 343 . 6 1 1 A 51 51 PRO HA H 51 4.414 4.673 -0.259 1
1 350 . 6 1 1 A 51 51 PRO C C 51 176.785 175.861 0.924 1
1 351 . 6 1 1 A 51 51 PRO CA C 51 63.188 62.276 0.912 1
1 352 . 6 1 1 A 51 51 PRO CB C 51 32.210 32.992 -0.782 1
1 355 . 6 1 1 A 52 52 ARG H H 52 8.545 8.898 -0.353 1
1 356 . 6 1 1 A 52 52 ARG HA H 52 4.300 4.362 -0.062 1
1 363 . 6 1 1 A 52 52 ARG C C 52 176.985 176.596 0.389 1
1 364 . 6 1 1 A 52 52 ARG CA C 52 56.493 55.399 1.094 1
1 365 . 6 1 1 A 52 52 ARG CB C 52 30.944 28.555 2.389 1
1 368 . 6 1 1 A 52 52 ARG N N 52 122.009 121.055 0.954 1
1 369 . 6 1 1 A 53 53 GLY H H 53 8.504 7.973 0.531 1
1 370 . 6 1 1 A 53 53 GLY HA2 H 53 3.995 4.051 -0.056 1
1 371 . 6 1 1 A 53 53 GLY HA3 H 53 3.934 4.052 -0.118 1
1 372 . 6 1 1 A 53 53 GLY C C 53 173.562 174.285 -0.723 1
1 373 . 6 1 1 A 53 53 GLY CA C 53 44.990 45.640 -0.650 1
1 374 . 6 1 1 A 53 53 GLY N N 53 110.270 110.700 -0.430 1
1 375 . 6 1 1 A 54 54 GLU H H 54 8.216 7.538 0.678 1
1 376 . 6 1 1 A 54 54 GLU HA H 54 4.364 4.683 -0.319 1
1 381 . 6 1 1 A 54 54 GLU C C 54 177.145 176.222 0.923 1
1 382 . 6 1 1 A 54 54 GLU CA C 54 55.883 55.237 0.646 1
1 383 . 6 1 1 A 54 54 GLU CB C 54 30.696 31.577 -0.881 1
1 385 . 6 1 1 A 54 54 GLU N N 54 119.939 120.749 -0.810 1
1 386 . 6 1 1 A 55 55 SER H H 55 8.916 8.641 0.275 1
1 387 . 6 1 1 A 55 55 SER HA H 55 4.544 4.636 -0.092 1
1 390 . 6 1 1 A 55 55 SER C C 55 174.434 174.762 -0.328 1
1 391 . 6 1 1 A 55 55 SER CA C 55 58.592 59.102 -0.510 1
1 392 . 6 1 1 A 55 55 SER CB C 55 63.662 63.946 -0.284 1
1 393 . 6 1 1 A 55 55 SER N N 55 118.742 117.122 1.620 1
1 394 . 6 1 1 A 56 56 LEU H H 56 8.598 8.109 0.489 1
1 395 . 6 1 1 A 56 56 LEU HA H 56 4.343 4.973 -0.630 1
1 405 . 6 1 1 A 56 56 LEU C C 56 176.024 175.751 0.273 1
1 406 . 6 1 1 A 56 56 LEU CA C 56 54.782 52.590 2.192 1
1 407 . 6 1 1 A 56 56 LEU CB C 56 42.106 45.401 -3.295 1
1 411 . 6 1 1 A 56 56 LEU N N 56 125.386 121.554 3.832 1
1 412 . 6 1 1 A 57 57 ASP H H 57 8.211 8.610 -0.399 1
1 413 . 6 1 1 A 57 57 ASP HA H 57 4.545 4.961 -0.416 1
1 416 . 6 1 1 A 57 57 ASP C C 57 176.869 175.374 1.495 1
1 417 . 6 1 1 A 57 57 ASP CA C 57 54.978 54.352 0.626 1
1 418 . 6 1 1 A 57 57 ASP CB C 57 41.477 42.662 -1.185 1
1 419 . 6 1 1 A 57 57 ASP N N 57 115.979 116.260 -0.281 1
1 420 . 6 1 1 A 58 58 GLU H H 58 7.469 7.809 -0.340 1
1 421 . 6 1 1 A 58 58 GLU HA H 58 4.717 4.696 0.021 1
1 426 . 6 1 1 A 58 58 GLU C C 58 174.081 175.345 -1.264 1
1 427 . 6 1 1 A 58 58 GLU CA C 58 54.280 55.003 -0.723 1
1 428 . 6 1 1 A 58 58 GLU CB C 58 32.995 31.050 1.945 1
1 430 . 6 1 1 A 58 58 GLU N N 58 118.912 118.055 0.857 1
1 431 . 6 1 1 A 59 59 CYS H H 59 9.364 8.591 0.773 1
1 432 . 6 1 1 A 59 59 CYS HA H 59 4.248 4.671 -0.423 1
1 435 . 6 1 1 A 59 59 CYS C C 59 178.266 176.638 1.628 1
1 436 . 6 1 1 A 59 59 CYS CA C 59 59.782 60.163 -0.381 1
1 437 . 6 1 1 A 59 59 CYS CB C 59 31.041 29.259 1.782 1
1 438 . 6 1 1 A 59 59 CYS N N 59 124.760 124.992 -0.232 1
1 439 . 6 1 1 A 60 60 GLU H H 60 9.202 8.763 0.439 1
1 440 . 6 1 1 A 60 60 GLU HA H 60 4.202 4.071 0.131 1
1 445 . 6 1 1 A 60 60 GLU C C 60 175.834 177.803 -1.969 1
1 446 . 6 1 1 A 60 60 GLU CA C 60 58.503 58.251 0.252 1
1 447 . 6 1 1 A 60 60 GLU CB C 60 30.041 28.720 1.321 1
1 449 . 6 1 1 A 60 60 GLU N N 60 130.690 126.837 3.853 1
1 450 . 6 1 1 A 61 61 GLU H H 61 8.751 7.593 1.158 1
1 451 . 6 1 1 A 61 61 GLU HA H 61 4.542 4.244 0.298 1
1 456 . 6 1 1 A 61 61 GLU C C 61 177.312 178.348 -1.036 1
1 457 . 6 1 1 A 61 61 GLU CA C 61 58.094 58.528 -0.434 1
1 458 . 6 1 1 A 61 61 GLU CB C 61 31.037 30.611 0.426 1
1 460 . 6 1 1 A 61 61 GLU N N 61 120.904 118.354 2.550 1
1 461 . 6 1 1 A 62 62 CYS H H 62 8.401 7.797 0.604 1
1 462 . 6 1 1 A 62 62 CYS HA H 62 5.014 4.621 0.393 1
1 465 . 6 1 1 A 62 62 CYS C C 62 177.324 175.695 1.629 1
1 466 . 6 1 1 A 62 62 CYS CA C 62 59.127 58.514 0.613 1
1 467 . 6 1 1 A 62 62 CYS CB C 62 33.355 29.402 3.953 1
1 468 . 6 1 1 A 62 62 CYS N N 62 117.947 113.549 4.398 1
1 469 . 6 1 1 A 63 63 GLY H H 63 8.048 8.173 -0.125 1
1 470 . 6 1 1 A 63 63 GLY HA2 H 63 4.234 3.922 0.312 1
1 471 . 6 1 1 A 63 63 GLY HA3 H 63 3.820 3.925 -0.105 1
1 472 . 6 1 1 A 63 63 GLY C C 63 172.914 174.928 -2.014 1
1 473 . 6 1 1 A 63 63 GLY CA C 63 46.163 46.703 -0.540 1
1 474 . 6 1 1 A 63 63 GLY N N 63 113.407 111.316 2.091 1
1 475 . 6 1 1 A 64 64 ALA H H 64 9.148 8.022 1.126 1
1 476 . 6 1 1 A 64 64 ALA HA H 64 4.536 4.527 0.009 1
1 480 . 6 1 1 A 64 64 ALA CA C 64 51.510 50.607 0.903 1
1 481 . 6 1 1 A 64 64 ALA CB C 64 19.099 19.004 0.095 1
1 482 . 6 1 1 A 64 64 ALA N N 64 127.297 123.227 4.070 1
1 483 . 6 1 1 A 65 65 PRO HA H 65 4.583 4.468 0.115 1
1 490 . 6 1 1 A 65 65 PRO C C 65 177.423 176.800 0.623 1
1 491 . 6 1 1 A 65 65 PRO CA C 65 63.020 63.239 -0.219 1
1 492 . 6 1 1 A 65 65 PRO CB C 65 31.832 31.621 0.211 1
1 495 . 6 1 1 A 66 66 ILE H H 66 8.053 8.334 -0.281 1
1 496 . 6 1 1 A 66 66 ILE HA H 66 4.330 4.336 -0.006 1
1 506 . 6 1 1 A 66 66 ILE CA C 66 58.847 59.812 -0.965 1
1 507 . 6 1 1 A 66 66 ILE CB C 66 38.162 38.272 -0.110 1
1 511 . 6 1 1 A 66 66 ILE N N 66 125.090 123.945 1.145 1
1 512 . 6 1 1 A 67 67 PRO HA H 67 4.447 4.767 -0.320 1
1 519 . 6 1 1 A 67 67 PRO C C 67 177.325 177.525 -0.200 1
1 520 . 6 1 1 A 67 67 PRO CA C 67 62.883 62.173 0.710 1
1 521 . 6 1 1 A 67 67 PRO CB C 67 32.692 32.627 0.065 1
1 524 . 6 1 1 A 68 68 GLN H H 68 8.982 8.620 0.362 1
1 525 . 6 1 1 A 68 68 GLN HA H 68 3.791 3.975 -0.184 1
1 532 . 6 1 1 A 68 68 GLN C C 68 177.316 177.907 -0.591 1
1 533 . 6 1 1 A 68 68 GLN CA C 68 59.491 57.901 1.590 1
1 534 . 6 1 1 A 68 68 GLN CB C 68 27.882 28.122 -0.240 1
1 536 . 6 1 1 A 68 68 GLN N N 68 124.876 121.125 3.751 1
1 538 . 6 1 1 A 69 69 ALA H H 69 8.892 8.366 0.526 1
1 539 . 6 1 1 A 69 69 ALA HA H 69 4.100 4.005 0.095 1
1 543 . 6 1 1 A 69 69 ALA C C 69 180.347 179.495 0.852 1
1 544 . 6 1 1 A 69 69 ALA CA C 69 55.209 55.069 0.140 1
1 545 . 6 1 1 A 69 69 ALA CB C 69 18.097 18.172 -0.075 1
1 546 . 6 1 1 A 69 69 ALA N N 69 118.268 123.893 -5.625 1
1 547 . 6 1 1 A 70 70 ARG H H 70 7.020 7.473 -0.453 1
1 548 . 6 1 1 A 70 70 ARG HA H 70 4.234 4.072 0.162 1
1 555 . 6 1 1 A 70 70 ARG C C 70 176.438 178.655 -2.217 1
1 556 . 6 1 1 A 70 70 ARG CA C 70 58.791 59.156 -0.365 1
1 557 . 6 1 1 A 70 70 ARG CB C 70 29.544 29.724 -0.180 1
1 560 . 6 1 1 A 70 70 ARG N N 70 119.170 117.556 1.614 1
1 561 . 6 1 1 A 71 71 ARG H H 71 7.754 7.359 0.395 1
1 562 . 6 1 1 A 71 71 ARG HA H 71 3.807 4.161 -0.354 1
1 569 . 6 1 1 A 71 71 ARG C C 71 179.191 178.481 0.710 1
1 570 . 6 1 1 A 71 71 ARG CA C 71 59.782 59.152 0.630 1
1 571 . 6 1 1 A 71 71 ARG CB C 71 30.564 29.885 0.679 1
1 574 . 6 1 1 A 71 71 ARG N N 71 116.460 118.832 -2.372 1
1 575 . 6 1 1 A 72 72 GLU H H 72 8.062 8.149 -0.087 1
1 576 . 6 1 1 A 72 72 GLU HA H 72 4.014 4.086 -0.072 1
1 581 . 6 1 1 A 72 72 GLU C C 72 177.357 178.754 -1.397 1
1 582 . 6 1 1 A 72 72 GLU CA C 72 57.860 59.361 -1.501 1
1 583 . 6 1 1 A 72 72 GLU CB C 72 29.978 29.305 0.673 1
1 585 . 6 1 1 A 72 72 GLU N N 72 114.904 118.853 -3.949 1
1 586 . 6 1 1 A 73 73 ALA H H 73 7.686 7.498 0.188 1
1 587 . 6 1 1 A 73 73 ALA HA H 73 4.199 4.127 0.072 1
1 591 . 6 1 1 A 73 73 ALA C C 73 178.246 177.616 0.630 1
1 592 . 6 1 1 A 73 73 ALA CA C 73 54.110 54.264 -0.154 1
1 593 . 6 1 1 A 73 73 ALA CB C 73 19.546 19.025 0.521 1
1 594 . 6 1 1 A 73 73 ALA N N 73 120.673 120.783 -0.110 1
1 595 . 6 1 1 A 74 74 ILE H H 74 7.609 7.832 -0.223 1
1 596 . 6 1 1 A 74 74 ILE HA H 74 4.318 4.497 -0.179 1
1 606 . 6 1 1 A 74 74 ILE CA C 74 57.722 57.890 -0.168 1
1 607 . 6 1 1 A 74 74 ILE CB C 74 38.313 38.874 -0.561 1
1 611 . 6 1 1 A 74 74 ILE N N 74 117.475 118.464 -0.989 1
1 612 . 6 1 1 A 75 75 PRO HA H 75 4.267 4.296 -0.029 1
1 619 . 6 1 1 A 75 75 PRO C C 75 179.050 177.662 1.388 1
1 620 . 6 1 1 A 75 75 PRO CA C 75 63.966 63.646 0.320 1
1 621 . 6 1 1 A 75 75 PRO CB C 75 31.409 31.282 0.127 1
1 624 . 6 1 1 A 76 76 GLY H H 76 8.594 8.883 -0.289 1
1 625 . 6 1 1 A 76 76 GLY HA2 H 76 4.081 3.974 0.107 1
1 626 . 6 1 1 A 76 76 GLY HA3 H 76 3.402 3.975 -0.573 1
1 627 . 6 1 1 A 76 76 GLY C C 76 174.447 174.508 -0.061 1
1 628 . 6 1 1 A 76 76 GLY CA C 76 45.138 45.661 -0.523 1
1 629 . 6 1 1 A 76 76 GLY N N 76 113.042 112.815 0.227 1
1 630 . 6 1 1 A 77 77 VAL H H 77 8.185 7.389 0.796 1
1 631 . 6 1 1 A 77 77 VAL HA H 77 3.955 4.317 -0.362 1
1 639 . 6 1 1 A 77 77 VAL C C 77 173.122 175.379 -2.257 1
1 640 . 6 1 1 A 77 77 VAL CA C 77 63.160 61.842 1.318 1
1 641 . 6 1 1 A 77 77 VAL CB C 77 30.748 32.649 -1.901 1
1 644 . 6 1 1 A 77 77 VAL N N 77 124.214 120.135 4.079 1
1 645 . 6 1 1 A 78 78 ARG H H 78 8.635 8.993 -0.358 1
1 646 . 6 1 1 A 78 78 ARG HA H 78 4.547 4.678 -0.131 1
1 653 . 6 1 1 A 78 78 ARG C C 78 173.948 175.646 -1.698 1
1 654 . 6 1 1 A 78 78 ARG CA C 78 55.410 56.123 -0.713 1
1 655 . 6 1 1 A 78 78 ARG CB C 78 33.618 32.013 1.605 1
1 658 . 6 1 1 A 78 78 ARG N N 78 121.505 125.643 -4.138 1
1 659 . 6 1 1 A 79 79 LEU H H 79 7.037 7.680 -0.643 1
1 660 . 6 1 1 A 79 79 LEU HA H 79 6.078 4.770 1.308 1
1 670 . 6 1 1 A 79 79 LEU C C 79 178.615 176.318 2.297 1
1 671 . 6 1 1 A 79 79 LEU CA C 79 52.286 53.127 -0.841 1
1 672 . 6 1 1 A 79 79 LEU CB C 79 46.763 44.587 2.176 1
1 676 . 6 1 1 A 79 79 LEU N N 79 116.511 120.046 -3.535 1
1 677 . 6 1 1 A 80 80 CYS H H 80 9.639 8.483 1.156 1
1 678 . 6 1 1 A 80 80 CYS HA H 80 4.595 4.578 0.017 1
1 681 . 6 1 1 A 80 80 CYS C C 80 174.898 175.431 -0.533 1
1 682 . 6 1 1 A 80 80 CYS CA C 80 57.983 58.680 -0.697 1
1 683 . 6 1 1 A 80 80 CYS CB C 80 31.306 29.197 2.109 1
1 684 . 6 1 1 A 80 80 CYS N N 80 121.517 123.272 -1.755 1
1 685 . 6 1 1 A 81 81 ILE H H 81 9.215 8.556 0.659 1
1 686 . 6 1 1 A 81 81 ILE HA H 81 3.836 3.871 -0.035 1
1 696 . 6 1 1 A 81 81 ILE C C 81 176.081 177.346 -1.265 1
1 697 . 6 1 1 A 81 81 ILE CA C 81 63.715 63.996 -0.281 1
1 698 . 6 1 1 A 81 81 ILE CB C 81 38.309 37.905 0.404 1
1 702 . 6 1 1 A 81 81 ILE N N 81 119.426 123.221 -3.795 1
1 703 . 6 1 1 A 82 82 HIS H H 82 7.439 7.751 -0.312 1
1 704 . 6 1 1 A 82 82 HIS HA H 82 4.354 4.359 -0.005 1
1 709 . 6 1 1 A 82 82 HIS C C 82 178.603 177.591 1.012 1
1 710 . 6 1 1 A 82 82 HIS CA C 82 59.802 59.248 0.554 1
1 711 . 6 1 1 A 82 82 HIS CB C 82 30.164 30.472 -0.308 1
1 714 . 6 1 1 A 82 82 HIS N N 82 122.605 119.004 3.601 1
1 715 . 6 1 1 A 83 83 CYS H H 83 8.960 8.218 0.742 1
1 716 . 6 1 1 A 83 83 CYS HA H 83 3.995 4.418 -0.423 1
1 719 . 6 1 1 A 83 83 CYS C C 83 178.676 177.533 1.143 1
1 720 . 6 1 1 A 83 83 CYS CA C 83 64.648 61.473 3.175 1
1 721 . 6 1 1 A 83 83 CYS CB C 83 29.618 26.893 2.725 1
1 722 . 6 1 1 A 83 83 CYS N N 83 124.742 118.269 6.473 1
1 723 . 6 1 1 A 84 84 GLN H H 84 8.525 8.158 0.367 1
1 724 . 6 1 1 A 84 84 GLN HA H 84 3.812 4.034 -0.222 1
1 731 . 6 1 1 A 84 84 GLN C C 84 177.478 178.083 -0.605 1
1 732 . 6 1 1 A 84 84 GLN CA C 84 58.750 59.064 -0.314 1
1 733 . 6 1 1 A 84 84 GLN CB C 84 28.372 28.815 -0.443 1
1 735 . 6 1 1 A 84 84 GLN N N 84 120.642 122.392 -1.750 1
1 737 . 6 1 1 A 85 85 GLN H H 85 8.100 8.005 0.095 1
1 738 . 6 1 1 A 85 85 GLN HA H 85 4.117 3.997 0.120 1
1 745 . 6 1 1 A 85 85 GLN C C 85 178.483 177.840 0.643 1
1 746 . 6 1 1 A 85 85 GLN CA C 85 58.857 58.675 0.182 1
1 747 . 6 1 1 A 85 85 GLN CB C 85 28.261 28.461 -0.200 1
1 749 . 6 1 1 A 85 85 GLN N N 85 118.154 117.188 0.966 1
1 751 . 6 1 1 A 86 86 GLU H H 86 7.657 8.417 -0.760 1
1 752 . 6 1 1 A 86 86 GLU HA H 86 4.049 4.062 -0.013 1
1 757 . 6 1 1 A 86 86 GLU C C 86 178.798 178.387 0.411 1
1 758 . 6 1 1 A 86 86 GLU CA C 86 58.852 59.365 -0.513 1
1 759 . 6 1 1 A 86 86 GLU CB C 86 29.716 29.130 0.586 1
1 761 . 6 1 1 A 86 86 GLU N N 86 118.055 118.749 -0.694 1
1 762 . 6 1 1 A 87 87 LYS H H 87 7.799 7.970 -0.171 1
1 763 . 6 1 1 A 87 87 LYS HA H 87 4.056 4.113 -0.057 1
1 772 . 6 1 1 A 87 87 LYS C C 87 179.025 178.976 0.049 1
1 773 . 6 1 1 A 87 87 LYS CA C 87 58.452 58.945 -0.493 1
1 774 . 6 1 1 A 87 87 LYS CB C 87 32.067 32.231 -0.164 1
1 778 . 6 1 1 A 87 87 LYS N N 87 119.741 119.102 0.639 1
1 779 . 6 1 1 A 88 88 ASP H H 88 8.300 7.963 0.337 1
1 780 . 6 1 1 A 88 88 ASP HA H 88 4.461 4.407 0.054 1
1 783 . 6 1 1 A 88 88 ASP C C 88 177.597 178.392 -0.795 1
1 784 . 6 1 1 A 88 88 ASP CA C 88 56.228 56.295 -0.067 1
1 785 . 6 1 1 A 88 88 ASP CB C 88 40.500 40.681 -0.181 1
1 786 . 6 1 1 A 88 88 ASP N N 88 119.700 119.559 0.141 1
1 787 . 6 1 1 A 89 89 LEU H H 89 7.672 7.491 0.181 1
1 788 . 6 1 1 A 89 89 LEU HA H 89 4.227 4.037 0.190 1
1 798 . 6 1 1 A 89 89 LEU C C 89 177.757 177.974 -0.217 1
1 799 . 6 1 1 A 89 89 LEU CA C 89 55.938 57.343 -1.405 1
1 800 . 6 1 1 A 89 89 LEU CB C 89 42.267 41.269 0.998 1
1 804 . 6 1 1 A 89 89 LEU N N 89 119.729 118.449 1.280 1
1 805 . 6 1 1 A 90 90 GLN H H 90 7.823 7.561 0.262 1
1 806 . 6 1 1 A 90 90 GLN HA H 90 4.264 4.394 -0.130 1
1 813 . 6 1 1 A 90 90 GLN C C 90 175.896 176.220 -0.324 1
1 814 . 6 1 1 A 90 90 GLN CA C 90 55.828 55.743 0.085 1
1 815 . 6 1 1 A 90 90 GLN CB C 90 28.871 29.208 -0.337 1
1 817 . 6 1 1 A 90 90 GLN N N 90 118.133 116.118 2.015 1
1 819 . 6 1 1 A 91 91 LYS H H 91 8.016 7.325 0.691 1
1 820 . 6 1 1 A 91 91 LYS HA H 91 4.561 4.347 0.214 1
1 829 . 6 1 1 A 91 91 LYS CA C 91 54.567 54.848 -0.281 1
1 830 . 6 1 1 A 91 91 LYS CB C 91 32.373 32.483 -0.110 1
1 834 . 6 1 1 A 91 91 LYS N N 91 122.571 120.711 1.860 1
1 835 . 6 1 1 A 92 92 PRO HA H 92 4.372 4.225 0.147 1
1 842 . 6 1 1 A 92 92 PRO C C 92 176.665 176.751 -0.086 1
1 843 . 6 1 1 A 92 92 PRO CA C 92 63.251 63.790 -0.539 1
1 844 . 6 1 1 A 92 92 PRO CB C 92 32.073 31.399 0.674 1
1 847 . 6 1 1 A 93 93 ALA H H 93 8.364 7.819 0.545 1
1 848 . 6 1 1 A 93 93 ALA HA H 93 4.245 3.923 0.322 1
1 852 . 6 1 1 A 93 93 ALA C C 93 177.504 175.752 1.752 1
1 853 . 6 1 1 A 93 93 ALA CA C 93 52.458 53.485 -1.027 1
1 854 . 6 1 1 A 93 93 ALA CB C 93 19.247 18.006 1.241 1
1 855 . 6 1 1 A 93 93 ALA N N 93 123.718 119.701 4.017 1
1 856 . 6 1 1 A 94 94 TYR H H 94 8.153 7.112 1.041 1
1 857 . 6 1 1 A 94 94 TYR HA H 94 4.626 4.900 -0.274 1
1 864 . 6 1 1 A 94 94 TYR C C 94 176.141 175.148 0.993 1
1 865 . 6 1 1 A 94 94 TYR CA C 94 57.859 55.975 1.884 1
1 866 . 6 1 1 A 94 94 TYR CB C 94 38.793 40.152 -1.359 1
1 871 . 6 1 1 A 94 94 TYR N N 94 119.293 112.503 6.790 1
1 872 . 6 1 1 A 95 95 THR H H 95 8.119 8.334 -0.215 1
1 873 . 6 1 1 A 95 95 THR HA H 95 4.286 4.566 -0.280 1
1 878 . 6 1 1 A 95 95 THR C C 95 174.813 174.973 -0.160 1
1 879 . 6 1 1 A 95 95 THR CA C 95 61.758 61.168 0.590 1
1 880 . 6 1 1 A 95 95 THR CB C 95 69.860 69.915 -0.055 1
1 882 . 6 1 1 A 95 95 THR N N 95 115.890 110.742 5.148 1
1 883 . 6 1 1 A 96 96 GLY H H 96 7.669 8.368 -0.699 1
1 884 . 6 1 1 A 96 96 GLY HA2 H 96 3.875 4.014 -0.139 1
1 885 . 6 1 1 A 96 96 GLY HA3 H 96 3.822 4.024 -0.202 1
1 886 . 6 1 1 A 96 96 GLY C C 96 173.774 173.340 0.434 1
1 887 . 6 1 1 A 96 96 GLY CA C 96 45.320 45.130 0.190 1
1 888 . 6 1 1 A 96 96 GLY N N 96 110.133 110.986 -0.853 1
1 889 . 6 1 1 A 97 97 TYR H H 97 8.028 7.215 0.813 1
1 890 . 6 1 1 A 97 97 TYR HA H 97 4.510 5.075 -0.565 1
1 897 . 6 1 1 A 97 97 TYR CA C 97 58.115 55.648 2.467 1
1 898 . 6 1 1 A 97 97 TYR CB C 97 38.769 41.726 -2.957 1
1 903 . 6 1 1 A 97 97 TYR N N 97 119.945 117.562 2.383 1
1 904 . 6 1 1 A 98 98 ASN HA H 98 4.641 4.740 -0.099 1
1 909 . 6 1 1 A 98 98 ASN C C 98 174.882 175.548 -0.666 1
1 910 . 6 1 1 A 98 98 ASN CA C 98 53.067 52.798 0.269 1
1 911 . 6 1 1 A 98 98 ASN CB C 98 38.835 37.691 1.144 1
1 913 . 6 1 1 A 99 99 ARG H H 99 8.226 7.854 0.372 1
1 914 . 6 1 1 A 99 99 ARG HA H 99 4.259 4.452 -0.193 1
1 921 . 6 1 1 A 99 99 ARG C C 99 176.406 175.246 1.160 1
1 922 . 6 1 1 A 99 99 ARG CA C 99 56.464 56.087 0.377 1
1 923 . 6 1 1 A 99 99 ARG CB C 99 30.588 30.629 -0.041 1
1 926 . 6 1 1 A 99 99 ARG N N 99 121.620 120.668 0.952 1
1 927 . 6 1 1 A 100 100 ARG H H 100 8.398 8.266 0.132 1
1 928 . 6 1 1 A 100 100 ARG N N 100 121.935 126.917 -4.982 1
1 929 . 6 1 1 A 101 101 GLY HA2 H 101 3.835 3.980 -0.145 1
1 930 . 6 1 1 A 101 101 GLY HA3 H 101 3.835 3.984 -0.149 1
1 931 . 6 1 1 A 101 101 GLY CA C 101 43.935 45.631 -1.696 1
1 932 . 6 1 1 A 102 102 SER HA H 102 4.460 4.520 -0.060 1
1 935 . 6 1 1 A 102 102 SER CA C 102 58.458 58.768 -0.310 1
1 936 . 6 1 1 A 102 102 SER CB C 102 64.128 62.938 1.190 1
1 937 . 6 1 1 A 103 103 LYS H H 103 8.524 8.734 -0.210 1
1 938 . 6 1 1 A 103 103 LYS HA H 103 4.305 3.910 0.395 1
1 947 . 6 1 1 A 103 103 LYS CA C 103 56.788 57.194 -0.406 1
1 948 . 6 1 1 A 103 103 LYS CB C 103 32.766 30.957 1.809 1
1 952 . 6 1 1 A 103 103 LYS N N 103 123.092 120.871 2.221 1
1 953 . 6 1 1 A 104 104 ASP H H 104 8.316 8.172 0.144 1
1 954 . 6 1 1 A 104 104 ASP HA H 104 4.612 4.709 -0.097 1
1 957 . 6 1 1 A 104 104 ASP C C 104 176.493 175.202 1.291 1
1 958 . 6 1 1 A 104 104 ASP CA C 104 54.704 53.809 0.895 1
1 959 . 6 1 1 A 104 104 ASP CB C 104 41.277 39.111 2.166 1
1 960 . 6 1 1 A 104 104 ASP N N 104 120.807 120.495 0.312 1
1 961 . 6 1 1 A 105 105 SER H H 105 8.215 8.638 -0.423 1
1 962 . 6 1 1 A 105 105 SER HA H 105 4.390 4.725 -0.335 1
1 965 . 6 1 1 A 105 105 SER C C 105 174.659 173.429 1.230 1
1 966 . 6 1 1 A 105 105 SER CA C 105 58.889 57.006 1.883 1
1 967 . 6 1 1 A 105 105 SER CB C 105 63.781 63.533 0.248 1
1 968 . 6 1 1 A 105 105 SER N N 105 116.100 121.363 -5.263 1
1 969 . 6 1 1 A 106 106 GLN H H 106 8.396 7.467 0.929 1
1 970 . 6 1 1 A 106 106 GLN HA H 106 4.344 4.424 -0.080 1
1 977 . 6 1 1 A 106 106 GLN C C 106 175.746 177.242 -1.496 1
1 978 . 6 1 1 A 106 106 GLN CA C 106 55.981 55.606 0.375 1
1 979 . 6 1 1 A 106 106 GLN CB C 106 29.351 29.957 -0.606 1
1 981 . 6 1 1 A 106 106 GLN N N 106 121.640 122.891 -1.251 1
1 983 . 6 1 1 A 107 107 LEU H H 107 8.172 8.794 -0.622 1
1 984 . 6 1 1 A 107 107 LEU HA H 107 4.348 3.964 0.384 1
1 994 . 6 1 1 A 107 107 LEU C C 107 176.328 177.820 -1.492 1
1 995 . 6 1 1 A 107 107 LEU CA C 107 55.385 57.757 -2.372 1
1 996 . 6 1 1 A 107 107 LEU CB C 107 42.163 41.553 0.610 1
1 1000 . 6 1 1 A 107 107 LEU N N 107 123.200 122.908 0.292 1
1 12 . 7 1 1 A 22 22 ALA H H 22 8.289 8.521 -0.232 1
1 13 . 7 1 1 A 22 22 ALA HA H 22 4.277 4.383 -0.106 1
1 17 . 7 1 1 A 22 22 ALA C C 22 177.730 176.525 1.205 1
1 18 . 7 1 1 A 22 22 ALA CA C 22 52.742 52.003 0.739 1
1 19 . 7 1 1 A 22 22 ALA CB C 22 19.263 18.361 0.902 1
1 20 . 7 1 1 A 22 22 ALA N N 22 125.042 128.509 -3.467 1
1 21 . 7 1 1 A 23 23 SER H H 23 8.253 8.390 -0.137 1
1 22 . 7 1 1 A 23 23 SER HA H 23 4.374 5.215 -0.841 1
1 25 . 7 1 1 A 23 23 SER C C 23 175.066 174.395 0.671 1
1 26 . 7 1 1 A 23 23 SER CA C 23 58.670 56.904 1.766 1
1 27 . 7 1 1 A 23 23 SER CB C 23 63.822 66.324 -2.502 1
1 28 . 7 1 1 A 23 23 SER N N 23 114.713 115.964 -1.251 1
1 29 . 7 1 1 A 24 24 GLY H H 24 8.368 8.899 -0.531 1
1 30 . 7 1 1 A 24 24 GLY HA2 H 24 3.945 4.031 -0.086 1
1 31 . 7 1 1 A 24 24 GLY HA3 H 24 3.886 4.077 -0.191 1
1 32 . 7 1 1 A 24 24 GLY C C 24 173.906 175.240 -1.334 1
1 33 . 7 1 1 A 24 24 GLY CA C 24 45.410 45.522 -0.112 1
1 34 . 7 1 1 A 24 24 GLY N N 24 110.595 112.257 -1.662 1
1 35 . 7 1 1 A 25 25 TRP H H 25 7.961 8.651 -0.690 1
1 36 . 7 1 1 A 25 25 TRP HA H 25 4.632 4.448 0.184 1
1 45 . 7 1 1 A 25 25 TRP C C 25 175.880 176.872 -0.992 1
1 46 . 7 1 1 A 25 25 TRP CA C 25 57.289 59.914 -2.625 1
1 47 . 7 1 1 A 25 25 TRP CB C 25 29.725 28.574 1.151 1
1 53 . 7 1 1 A 25 25 TRP N N 25 120.881 121.045 -0.164 1
1 55 . 7 1 1 A 26 26 ALA H H 26 8.129 7.026 1.103 1
1 56 . 7 1 1 A 26 26 ALA HA H 26 4.222 4.195 0.027 1
1 60 . 7 1 1 A 26 26 ALA C C 26 176.977 176.567 0.410 1
1 61 . 7 1 1 A 26 26 ALA CA C 26 52.345 51.120 1.225 1
1 62 . 7 1 1 A 26 26 ALA CB C 26 19.414 19.421 -0.007 1
1 63 . 7 1 1 A 26 26 ALA N N 26 125.541 120.132 5.409 1
1 64 . 7 1 1 A 27 27 ASN H H 27 8.139 7.794 0.345 1
1 65 . 7 1 1 A 27 27 ASN HA H 27 4.581 4.601 -0.020 1
1 70 . 7 1 1 A 27 27 ASN C C 27 175.044 173.116 1.928 1
1 71 . 7 1 1 A 27 27 ASN CA C 27 53.260 52.416 0.844 1
1 72 . 7 1 1 A 27 27 ASN CB C 27 39.022 37.384 1.638 1
1 73 . 7 1 1 A 27 27 ASN N N 27 117.794 118.494 -0.700 1
1 75 . 7 1 1 A 28 28 ASP H H 28 8.286 7.641 0.645 1
1 76 . 7 1 1 A 28 28 ASP HA H 28 4.581 5.014 -0.433 1
1 79 . 7 1 1 A 28 28 ASP C C 28 176.163 175.373 0.790 1
1 80 . 7 1 1 A 28 28 ASP CA C 28 54.629 52.978 1.651 1
1 81 . 7 1 1 A 28 28 ASP CB C 28 41.129 44.827 -3.698 1
1 82 . 7 1 1 A 28 28 ASP N N 28 120.788 123.414 -2.626 1
1 83 . 7 1 1 A 29 29 ASP H H 29 8.287 9.087 -0.800 1
1 84 . 7 1 1 A 29 29 ASP HA H 29 4.546 4.275 0.271 1
1 87 . 7 1 1 A 29 29 ASP C C 29 176.359 177.956 -1.597 1
1 88 . 7 1 1 A 29 29 ASP CA C 29 54.883 56.882 -1.999 1
1 89 . 7 1 1 A 29 29 ASP CB C 29 41.050 40.569 0.481 1
1 90 . 7 1 1 A 29 29 ASP N N 29 120.641 121.946 -1.305 1
1 91 . 7 1 1 A 30 30 ALA H H 30 8.141 7.687 0.454 1
1 92 . 7 1 1 A 30 30 ALA HA H 30 4.278 4.296 -0.018 1
1 96 . 7 1 1 A 30 30 ALA C C 30 178.218 178.447 -0.229 1
1 97 . 7 1 1 A 30 30 ALA CA C 30 53.006 54.359 -1.353 1
1 98 . 7 1 1 A 30 30 ALA CB C 30 19.115 18.173 0.942 1
1 99 . 7 1 1 A 30 30 ALA N N 30 123.561 121.887 1.674 1
1 100 . 7 1 1 A 31 31 VAL H H 31 7.996 7.508 0.488 1
1 101 . 7 1 1 A 31 31 VAL HA H 31 4.010 3.927 0.083 1
1 109 . 7 1 1 A 31 31 VAL C C 31 175.417 177.466 -2.049 1
1 110 . 7 1 1 A 31 31 VAL CA C 31 62.896 64.715 -1.819 1
1 111 . 7 1 1 A 31 31 VAL CB C 31 32.567 32.207 0.360 1
1 114 . 7 1 1 A 31 31 VAL N N 31 118.676 115.929 2.747 1
1 115 . 7 1 1 A 32 32 ASN H H 32 8.364 8.125 0.239 1
1 116 . 7 1 1 A 32 32 ASN HA H 32 4.694 4.414 0.280 1
1 121 . 7 1 1 A 32 32 ASN C C 32 174.659 177.445 -2.786 1
1 122 . 7 1 1 A 32 32 ASN CA C 32 53.547 56.234 -2.687 1
1 123 . 7 1 1 A 32 32 ASN CB C 32 38.939 38.948 -0.009 1
1 124 . 7 1 1 A 32 32 ASN N N 32 121.518 118.961 2.557 1
1 126 . 7 1 1 A 33 33 GLU H H 33 8.380 8.387 -0.007 1
1 127 . 7 1 1 A 33 33 GLU HA H 33 4.240 4.009 0.231 1
1 132 . 7 1 1 A 33 33 GLU C C 33 176.641 178.872 -2.231 1
1 133 . 7 1 1 A 33 33 GLU CA C 33 57.074 59.282 -2.208 1
1 134 . 7 1 1 A 33 33 GLU CB C 33 30.212 28.956 1.256 1
1 136 . 7 1 1 A 33 33 GLU N N 33 121.497 117.271 4.226 1
1 137 . 7 1 1 A 34 34 GLN H H 34 8.333 7.431 0.902 1
1 138 . 7 1 1 A 34 34 GLN HA H 34 4.315 4.147 0.168 1
1 145 . 7 1 1 A 34 34 GLN C C 34 176.325 178.272 -1.947 1
1 146 . 7 1 1 A 34 34 GLN CA C 34 56.232 58.509 -2.277 1
1 147 . 7 1 1 A 34 34 GLN CB C 34 29.304 28.428 0.876 1
1 149 . 7 1 1 A 34 34 GLN N N 34 120.891 119.375 1.516 1
1 151 . 7 1 1 A 35 35 ILE H H 35 8.155 7.207 0.948 1
1 152 . 7 1 1 A 35 35 ILE HA H 35 4.116 4.059 0.057 1
1 162 . 7 1 1 A 35 35 ILE C C 35 176.203 176.404 -0.201 1
1 163 . 7 1 1 A 35 35 ILE CA C 35 61.645 64.086 -2.441 1
1 164 . 7 1 1 A 35 35 ILE CB C 35 38.640 38.167 0.473 1
1 168 . 7 1 1 A 35 35 ILE N N 35 121.784 118.410 3.374 1
1 169 . 7 1 1 A 36 36 ASN H H 36 8.504 7.788 0.716 1
1 170 . 7 1 1 A 36 36 ASN HA H 36 4.760 4.623 0.137 1
1 175 . 7 1 1 A 36 36 ASN C C 36 175.468 176.617 -1.149 1
1 176 . 7 1 1 A 36 36 ASN CA C 36 53.504 53.638 -0.134 1
1 177 . 7 1 1 A 36 36 ASN CB C 36 38.947 39.533 -0.586 1
1 178 . 7 1 1 A 36 36 ASN N N 36 122.204 120.802 1.402 1
1 180 . 7 1 1 A 37 37 SER H H 37 8.380 8.819 -0.439 1
1 181 . 7 1 1 A 37 37 SER HA H 37 4.505 4.547 -0.042 1
1 184 . 7 1 1 A 37 37 SER C C 37 174.990 174.557 0.433 1
1 185 . 7 1 1 A 37 37 SER CA C 37 58.963 58.604 0.359 1
1 186 . 7 1 1 A 37 37 SER CB C 37 63.760 62.988 0.772 1
1 187 . 7 1 1 A 37 37 SER N N 37 116.788 120.623 -3.835 1
1 188 . 7 1 1 A 38 38 THR H H 38 8.302 7.627 0.675 1
1 189 . 7 1 1 A 38 38 THR HA H 38 4.369 4.003 0.366 1
1 194 . 7 1 1 A 38 38 THR C C 38 175.437 176.989 -1.552 1
1 195 . 7 1 1 A 38 38 THR CA C 38 62.751 66.672 -3.921 1
1 196 . 7 1 1 A 38 38 THR CB C 38 69.838 68.126 1.712 1
1 198 . 7 1 1 A 38 38 THR N N 38 116.285 116.025 0.260 1
1 199 . 7 1 1 A 39 39 ILE H H 39 8.153 8.014 0.139 1
1 200 . 7 1 1 A 39 39 ILE HA H 39 4.080 3.567 0.513 1
1 210 . 7 1 1 A 39 39 ILE C C 39 176.850 178.245 -1.395 1
1 211 . 7 1 1 A 39 39 ILE CA C 39 62.295 65.600 -3.305 1
1 212 . 7 1 1 A 39 39 ILE CB C 39 38.373 37.670 0.703 1
1 216 . 7 1 1 A 39 39 ILE N N 39 123.148 121.329 1.819 1
1 217 . 7 1 1 A 40 40 GLU H H 40 8.438 8.498 -0.060 1
1 218 . 7 1 1 A 40 40 GLU HA H 40 4.146 4.008 0.138 1
1 223 . 7 1 1 A 40 40 GLU C C 40 177.573 178.526 -0.953 1
1 224 . 7 1 1 A 40 40 GLU CA C 40 58.026 59.258 -1.232 1
1 225 . 7 1 1 A 40 40 GLU CB C 40 29.870 29.045 0.825 1
1 227 . 7 1 1 A 40 40 GLU N N 40 123.184 120.425 2.759 1
1 228 . 7 1 1 A 41 41 ASP H H 41 8.295 7.687 0.608 1
1 229 . 7 1 1 A 41 41 ASP HA H 41 4.512 4.396 0.116 1
1 232 . 7 1 1 A 41 41 ASP C C 41 176.856 178.469 -1.613 1
1 233 . 7 1 1 A 41 41 ASP CA C 41 55.563 56.990 -1.427 1
1 234 . 7 1 1 A 41 41 ASP CB C 41 41.080 40.889 0.191 1
1 235 . 7 1 1 A 41 41 ASP N N 41 121.311 120.763 0.548 1
1 236 . 7 1 1 A 42 42 ALA H H 42 8.098 7.747 0.351 1
1 237 . 7 1 1 A 42 42 ALA HA H 42 4.153 4.081 0.072 1
1 241 . 7 1 1 A 42 42 ALA C C 42 179.658 179.323 0.335 1
1 242 . 7 1 1 A 42 42 ALA CA C 42 54.315 55.010 -0.695 1
1 243 . 7 1 1 A 42 42 ALA CB C 42 18.765 18.546 0.219 1
1 244 . 7 1 1 A 42 42 ALA N N 42 123.411 120.986 2.425 1
1 245 . 7 1 1 A 43 43 ILE H H 43 8.047 7.401 0.646 1
1 246 . 7 1 1 A 43 43 ILE HA H 43 3.904 3.944 -0.040 1
1 256 . 7 1 1 A 43 43 ILE C C 43 176.603 178.039 -1.436 1
1 257 . 7 1 1 A 43 43 ILE CA C 43 63.028 63.196 -0.168 1
1 258 . 7 1 1 A 43 43 ILE CB C 43 38.140 37.958 0.182 1
1 262 . 7 1 1 A 43 43 ILE N N 43 119.853 118.837 1.016 1
1 263 . 7 1 1 A 44 44 ALA H H 44 8.072 7.889 0.183 1
1 264 . 7 1 1 A 44 44 ALA HA H 44 4.162 4.075 0.087 1
1 268 . 7 1 1 A 44 44 ALA C C 44 179.414 179.801 -0.387 1
1 269 . 7 1 1 A 44 44 ALA CA C 44 54.011 55.145 -1.134 1
1 270 . 7 1 1 A 44 44 ALA CB C 44 18.614 18.102 0.512 1
1 271 . 7 1 1 A 44 44 ALA N N 44 124.814 124.580 0.234 1
1 272 . 7 1 1 A 45 45 ARG H H 45 8.177 7.865 0.312 1
1 273 . 7 1 1 A 45 45 ARG HA H 45 4.187 4.148 0.039 1
1 280 . 7 1 1 A 45 45 ARG C C 45 177.629 178.621 -0.992 1
1 281 . 7 1 1 A 45 45 ARG CA C 45 57.569 58.236 -0.667 1
1 282 . 7 1 1 A 45 45 ARG CB C 45 30.600 29.826 0.774 1
1 285 . 7 1 1 A 45 45 ARG N N 45 118.718 116.811 1.907 1
1 286 . 7 1 1 A 46 46 ALA H H 46 8.004 7.660 0.344 1
1 287 . 7 1 1 A 46 46 ALA HA H 46 4.274 4.072 0.202 1
1 291 . 7 1 1 A 46 46 ALA C C 46 178.519 178.839 -0.320 1
1 292 . 7 1 1 A 46 46 ALA CA C 46 53.339 55.237 -1.898 1
1 293 . 7 1 1 A 46 46 ALA CB C 46 18.827 19.145 -0.318 1
1 294 . 7 1 1 A 46 46 ALA N N 46 123.416 122.836 0.580 1
1 295 . 7 1 1 A 47 47 ARG H H 47 8.082 7.778 0.304 1
1 296 . 7 1 1 A 47 47 ARG HA H 47 4.285 4.506 -0.221 1
1 303 . 7 1 1 A 47 47 ARG C C 47 177.103 176.819 0.284 1
1 304 . 7 1 1 A 47 47 ARG CA C 47 56.871 54.931 1.940 1
1 305 . 7 1 1 A 47 47 ARG CB C 47 30.655 31.548 -0.893 1
1 308 . 7 1 1 A 47 47 ARG N N 47 118.672 113.096 5.576 1
1 309 . 7 1 1 A 48 48 GLY H H 48 8.160 7.635 0.525 1
1 310 . 7 1 1 A 48 48 GLY HA2 H 48 3.976 3.966 0.010 1
1 311 . 7 1 1 A 48 48 GLY HA3 H 48 3.976 3.967 0.009 1
1 312 . 7 1 1 A 48 48 GLY C C 48 174.015 175.191 -1.176 1
1 313 . 7 1 1 A 48 48 GLY CA C 48 45.337 46.258 -0.921 1
1 314 . 7 1 1 A 48 48 GLY N N 48 108.533 109.125 -0.592 1
1 315 . 7 1 1 A 49 49 GLU H H 49 8.113 7.701 0.412 1
1 316 . 7 1 1 A 49 49 GLU HA H 49 4.317 3.927 0.390 1
1 321 . 7 1 1 A 49 49 GLU C C 49 176.216 175.826 0.390 1
1 322 . 7 1 1 A 49 49 GLU CA C 49 56.125 59.288 -3.163 1
1 323 . 7 1 1 A 49 49 GLU CB C 49 30.497 30.245 0.252 1
1 325 . 7 1 1 A 49 49 GLU N N 49 120.272 120.762 -0.490 1
1 326 . 7 1 1 A 50 50 ILE H H 50 8.203 8.190 0.013 1
1 327 . 7 1 1 A 50 50 ILE HA H 50 4.419 4.619 -0.200 1
1 337 . 7 1 1 A 50 50 ILE CA C 50 58.687 58.006 0.681 1
1 338 . 7 1 1 A 50 50 ILE CB C 50 38.623 40.065 -1.442 1
1 342 . 7 1 1 A 50 50 ILE N N 50 123.785 118.788 4.997 1
1 343 . 7 1 1 A 51 51 PRO HA H 51 4.414 4.567 -0.153 1
1 350 . 7 1 1 A 51 51 PRO C C 51 176.785 177.038 -0.253 1
1 351 . 7 1 1 A 51 51 PRO CA C 51 63.188 62.455 0.733 1
1 352 . 7 1 1 A 51 51 PRO CB C 51 32.210 33.551 -1.341 1
1 355 . 7 1 1 A 52 52 ARG H H 52 8.545 8.512 0.033 1
1 356 . 7 1 1 A 52 52 ARG HA H 52 4.300 4.390 -0.090 1
1 363 . 7 1 1 A 52 52 ARG C C 52 176.985 176.492 0.493 1
1 364 . 7 1 1 A 52 52 ARG CA C 52 56.493 55.867 0.626 1
1 365 . 7 1 1 A 52 52 ARG CB C 52 30.944 29.600 1.344 1
1 368 . 7 1 1 A 52 52 ARG N N 52 122.009 119.940 2.069 1
1 369 . 7 1 1 A 53 53 GLY H H 53 8.504 8.040 0.464 1
1 370 . 7 1 1 A 53 53 GLY HA2 H 53 3.995 3.927 0.068 1
1 371 . 7 1 1 A 53 53 GLY HA3 H 53 3.934 3.927 0.007 1
1 372 . 7 1 1 A 53 53 GLY C C 53 173.562 173.757 -0.195 1
1 373 . 7 1 1 A 53 53 GLY CA C 53 44.990 45.864 -0.874 1
1 374 . 7 1 1 A 53 53 GLY N N 53 110.270 108.494 1.776 1
1 375 . 7 1 1 A 54 54 GLU H H 54 8.216 8.005 0.211 1
1 376 . 7 1 1 A 54 54 GLU HA H 54 4.364 4.749 -0.385 1
1 381 . 7 1 1 A 54 54 GLU C C 54 177.145 175.666 1.479 1
1 382 . 7 1 1 A 54 54 GLU CA C 54 55.883 54.369 1.514 1
1 383 . 7 1 1 A 54 54 GLU CB C 54 30.696 31.986 -1.290 1
1 385 . 7 1 1 A 54 54 GLU N N 54 119.939 120.025 -0.086 1
1 386 . 7 1 1 A 55 55 SER H H 55 8.916 8.629 0.287 1
1 387 . 7 1 1 A 55 55 SER HA H 55 4.544 4.550 -0.006 1
1 390 . 7 1 1 A 55 55 SER C C 55 174.434 174.490 -0.056 1
1 391 . 7 1 1 A 55 55 SER CA C 55 58.592 59.570 -0.978 1
1 392 . 7 1 1 A 55 55 SER CB C 55 63.662 62.863 0.799 1
1 393 . 7 1 1 A 55 55 SER N N 55 118.742 119.820 -1.078 1
1 394 . 7 1 1 A 56 56 LEU H H 56 8.598 8.014 0.584 1
1 395 . 7 1 1 A 56 56 LEU HA H 56 4.343 4.563 -0.220 1
1 405 . 7 1 1 A 56 56 LEU C C 56 176.024 176.489 -0.465 1
1 406 . 7 1 1 A 56 56 LEU CA C 56 54.782 53.697 1.085 1
1 407 . 7 1 1 A 56 56 LEU CB C 56 42.106 43.600 -1.494 1
1 411 . 7 1 1 A 56 56 LEU N N 56 125.386 125.467 -0.081 1
1 412 . 7 1 1 A 57 57 ASP H H 57 8.211 8.968 -0.757 1
1 413 . 7 1 1 A 57 57 ASP HA H 57 4.545 4.688 -0.143 1
1 416 . 7 1 1 A 57 57 ASP C C 57 176.869 175.382 1.487 1
1 417 . 7 1 1 A 57 57 ASP CA C 57 54.978 54.145 0.833 1
1 418 . 7 1 1 A 57 57 ASP CB C 57 41.477 42.183 -0.706 1
1 419 . 7 1 1 A 57 57 ASP N N 57 115.979 119.506 -3.527 1
1 420 . 7 1 1 A 58 58 GLU H H 58 7.469 7.681 -0.212 1
1 421 . 7 1 1 A 58 58 GLU HA H 58 4.717 4.616 0.101 1
1 426 . 7 1 1 A 58 58 GLU C C 58 174.081 175.254 -1.173 1
1 427 . 7 1 1 A 58 58 GLU CA C 58 54.280 55.053 -0.773 1
1 428 . 7 1 1 A 58 58 GLU CB C 58 32.995 31.272 1.723 1
1 430 . 7 1 1 A 58 58 GLU N N 58 118.912 117.583 1.329 1
1 431 . 7 1 1 A 59 59 CYS H H 59 9.364 8.652 0.712 1
1 432 . 7 1 1 A 59 59 CYS HA H 59 4.248 4.380 -0.132 1
1 435 . 7 1 1 A 59 59 CYS C C 59 178.266 176.452 1.814 1
1 436 . 7 1 1 A 59 59 CYS CA C 59 59.782 60.343 -0.561 1
1 437 . 7 1 1 A 59 59 CYS CB C 59 31.041 29.012 2.029 1
1 438 . 7 1 1 A 59 59 CYS N N 59 124.760 124.983 -0.223 1
1 439 . 7 1 1 A 60 60 GLU H H 60 9.202 8.991 0.211 1
1 440 . 7 1 1 A 60 60 GLU HA H 60 4.202 4.104 0.098 1
1 445 . 7 1 1 A 60 60 GLU C C 60 175.834 177.117 -1.283 1
1 446 . 7 1 1 A 60 60 GLU CA C 60 58.503 58.513 -0.010 1
1 447 . 7 1 1 A 60 60 GLU CB C 60 30.041 28.731 1.310 1
1 449 . 7 1 1 A 60 60 GLU N N 60 130.690 127.283 3.407 1
1 450 . 7 1 1 A 61 61 GLU H H 61 8.751 7.621 1.130 1
1 451 . 7 1 1 A 61 61 GLU HA H 61 4.542 4.379 0.163 1
1 456 . 7 1 1 A 61 61 GLU C C 61 177.312 177.974 -0.662 1
1 457 . 7 1 1 A 61 61 GLU CA C 61 58.094 58.079 0.015 1
1 458 . 7 1 1 A 61 61 GLU CB C 61 31.037 30.866 0.171 1
1 460 . 7 1 1 A 61 61 GLU N N 61 120.904 118.159 2.745 1
1 461 . 7 1 1 A 62 62 CYS H H 62 8.401 7.252 1.149 1
1 462 . 7 1 1 A 62 62 CYS HA H 62 5.014 4.608 0.406 1
1 465 . 7 1 1 A 62 62 CYS C C 62 177.324 175.512 1.812 1
1 466 . 7 1 1 A 62 62 CYS CA C 62 59.127 58.394 0.733 1
1 467 . 7 1 1 A 62 62 CYS CB C 62 33.355 29.143 4.212 1
1 468 . 7 1 1 A 62 62 CYS N N 62 117.947 114.398 3.549 1
1 469 . 7 1 1 A 63 63 GLY H H 63 8.048 8.080 -0.032 1
1 470 . 7 1 1 A 63 63 GLY HA2 H 63 4.234 3.942 0.292 1
1 471 . 7 1 1 A 63 63 GLY HA3 H 63 3.820 3.945 -0.125 1
1 472 . 7 1 1 A 63 63 GLY C C 63 172.914 174.754 -1.840 1
1 473 . 7 1 1 A 63 63 GLY CA C 63 46.163 46.570 -0.407 1
1 474 . 7 1 1 A 63 63 GLY N N 63 113.407 111.461 1.946 1
1 475 . 7 1 1 A 64 64 ALA H H 64 9.148 8.024 1.124 1
1 476 . 7 1 1 A 64 64 ALA HA H 64 4.536 4.475 0.061 1
1 480 . 7 1 1 A 64 64 ALA CA C 64 51.510 50.678 0.832 1
1 481 . 7 1 1 A 64 64 ALA CB C 64 19.099 19.311 -0.212 1
1 482 . 7 1 1 A 64 64 ALA N N 64 127.297 123.560 3.737 1
1 483 . 7 1 1 A 65 65 PRO HA H 65 4.583 4.435 0.148 1
1 490 . 7 1 1 A 65 65 PRO C C 65 177.423 176.853 0.570 1
1 491 . 7 1 1 A 65 65 PRO CA C 65 63.020 63.242 -0.222 1
1 492 . 7 1 1 A 65 65 PRO CB C 65 31.832 31.680 0.152 1
1 495 . 7 1 1 A 66 66 ILE H H 66 8.053 8.232 -0.179 1
1 496 . 7 1 1 A 66 66 ILE HA H 66 4.330 4.303 0.027 1
1 506 . 7 1 1 A 66 66 ILE CA C 66 58.847 59.898 -1.051 1
1 507 . 7 1 1 A 66 66 ILE CB C 66 38.162 38.109 0.053 1
1 511 . 7 1 1 A 66 66 ILE N N 66 125.090 124.128 0.962 1
1 512 . 7 1 1 A 67 67 PRO HA H 67 4.447 4.677 -0.230 1
1 519 . 7 1 1 A 67 67 PRO C C 67 177.325 177.851 -0.526 1
1 520 . 7 1 1 A 67 67 PRO CA C 67 62.883 62.292 0.591 1
1 521 . 7 1 1 A 67 67 PRO CB C 67 32.692 32.666 0.026 1
1 524 . 7 1 1 A 68 68 GLN H H 68 8.982 8.601 0.381 1
1 525 . 7 1 1 A 68 68 GLN HA H 68 3.791 3.992 -0.201 1
1 532 . 7 1 1 A 68 68 GLN C C 68 177.316 178.246 -0.930 1
1 533 . 7 1 1 A 68 68 GLN CA C 68 59.491 58.439 1.052 1
1 534 . 7 1 1 A 68 68 GLN CB C 68 27.882 28.070 -0.188 1
1 536 . 7 1 1 A 68 68 GLN N N 68 124.876 122.728 2.148 1
1 538 . 7 1 1 A 69 69 ALA H H 69 8.892 8.377 0.515 1
1 539 . 7 1 1 A 69 69 ALA HA H 69 4.100 4.013 0.087 1
1 543 . 7 1 1 A 69 69 ALA C C 69 180.347 179.695 0.652 1
1 544 . 7 1 1 A 69 69 ALA CA C 69 55.209 55.252 -0.043 1
1 545 . 7 1 1 A 69 69 ALA CB C 69 18.097 18.303 -0.206 1
1 546 . 7 1 1 A 69 69 ALA N N 69 118.268 122.983 -4.715 1
1 547 . 7 1 1 A 70 70 ARG H H 70 7.020 7.654 -0.634 1
1 548 . 7 1 1 A 70 70 ARG HA H 70 4.234 4.052 0.182 1
1 555 . 7 1 1 A 70 70 ARG C C 70 176.438 178.708 -2.270 1
1 556 . 7 1 1 A 70 70 ARG CA C 70 58.791 59.306 -0.515 1
1 557 . 7 1 1 A 70 70 ARG CB C 70 29.544 29.749 -0.205 1
1 560 . 7 1 1 A 70 70 ARG N N 70 119.170 117.397 1.773 1
1 561 . 7 1 1 A 71 71 ARG H H 71 7.754 7.387 0.367 1
1 562 . 7 1 1 A 71 71 ARG HA H 71 3.807 4.157 -0.350 1
1 569 . 7 1 1 A 71 71 ARG C C 71 179.191 178.508 0.683 1
1 570 . 7 1 1 A 71 71 ARG CA C 71 59.782 59.352 0.430 1
1 571 . 7 1 1 A 71 71 ARG CB C 71 30.564 29.986 0.578 1
1 574 . 7 1 1 A 71 71 ARG N N 71 116.460 119.153 -2.693 1
1 575 . 7 1 1 A 72 72 GLU H H 72 8.062 8.052 0.010 1
1 576 . 7 1 1 A 72 72 GLU HA H 72 4.014 4.101 -0.087 1
1 581 . 7 1 1 A 72 72 GLU C C 72 177.357 178.935 -1.578 1
1 582 . 7 1 1 A 72 72 GLU CA C 72 57.860 58.894 -1.034 1
1 583 . 7 1 1 A 72 72 GLU CB C 72 29.978 29.369 0.609 1
1 585 . 7 1 1 A 72 72 GLU N N 72 114.904 118.618 -3.714 1
1 586 . 7 1 1 A 73 73 ALA H H 73 7.686 7.532 0.154 1
1 587 . 7 1 1 A 73 73 ALA HA H 73 4.199 4.197 0.002 1
1 591 . 7 1 1 A 73 73 ALA C C 73 178.246 177.634 0.612 1
1 592 . 7 1 1 A 73 73 ALA CA C 73 54.110 54.614 -0.504 1
1 593 . 7 1 1 A 73 73 ALA CB C 73 19.546 19.518 0.028 1
1 594 . 7 1 1 A 73 73 ALA N N 73 120.673 121.323 -0.650 1
1 595 . 7 1 1 A 74 74 ILE H H 74 7.609 7.829 -0.220 1
1 596 . 7 1 1 A 74 74 ILE HA H 74 4.318 4.493 -0.175 1
1 606 . 7 1 1 A 74 74 ILE CA C 74 57.722 57.803 -0.081 1
1 607 . 7 1 1 A 74 74 ILE CB C 74 38.313 40.006 -1.693 1
1 611 . 7 1 1 A 74 74 ILE N N 74 117.475 118.052 -0.577 1
1 612 . 7 1 1 A 75 75 PRO HA H 75 4.267 4.361 -0.094 1
1 619 . 7 1 1 A 75 75 PRO C C 75 179.050 177.840 1.210 1
1 620 . 7 1 1 A 75 75 PRO CA C 75 63.966 63.984 -0.018 1
1 621 . 7 1 1 A 75 75 PRO CB C 75 31.409 31.374 0.035 1
1 624 . 7 1 1 A 76 76 GLY H H 76 8.594 8.777 -0.183 1
1 625 . 7 1 1 A 76 76 GLY HA2 H 76 4.081 3.914 0.167 1
1 626 . 7 1 1 A 76 76 GLY HA3 H 76 3.402 3.914 -0.512 1
1 627 . 7 1 1 A 76 76 GLY C C 76 174.447 174.748 -0.301 1
1 628 . 7 1 1 A 76 76 GLY CA C 76 45.138 45.880 -0.742 1
1 629 . 7 1 1 A 76 76 GLY N N 76 113.042 112.610 0.432 1
1 630 . 7 1 1 A 77 77 VAL H H 77 8.185 7.506 0.679 1
1 631 . 7 1 1 A 77 77 VAL HA H 77 3.955 4.094 -0.139 1
1 639 . 7 1 1 A 77 77 VAL C C 77 173.122 175.912 -2.790 1
1 640 . 7 1 1 A 77 77 VAL CA C 77 63.160 62.334 0.826 1
1 641 . 7 1 1 A 77 77 VAL CB C 77 30.748 32.639 -1.891 1
1 644 . 7 1 1 A 77 77 VAL N N 77 124.214 120.371 3.843 1
1 645 . 7 1 1 A 78 78 ARG H H 78 8.635 8.771 -0.136 1
1 646 . 7 1 1 A 78 78 ARG HA H 78 4.547 4.707 -0.160 1
1 653 . 7 1 1 A 78 78 ARG C C 78 173.948 175.743 -1.795 1
1 654 . 7 1 1 A 78 78 ARG CA C 78 55.410 55.349 0.061 1
1 655 . 7 1 1 A 78 78 ARG CB C 78 33.618 31.490 2.128 1
1 658 . 7 1 1 A 78 78 ARG N N 78 121.505 124.707 -3.202 1
1 659 . 7 1 1 A 79 79 LEU H H 79 7.037 7.519 -0.482 1
1 660 . 7 1 1 A 79 79 LEU HA H 79 6.078 4.798 1.280 1
1 670 . 7 1 1 A 79 79 LEU C C 79 178.615 176.348 2.267 1
1 671 . 7 1 1 A 79 79 LEU CA C 79 52.286 53.083 -0.797 1
1 672 . 7 1 1 A 79 79 LEU CB C 79 46.763 44.595 2.168 1
1 676 . 7 1 1 A 79 79 LEU N N 79 116.511 121.046 -4.535 1
1 677 . 7 1 1 A 80 80 CYS H H 80 9.639 8.891 0.748 1
1 678 . 7 1 1 A 80 80 CYS HA H 80 4.595 4.577 0.018 1
1 681 . 7 1 1 A 80 80 CYS C C 80 174.898 175.420 -0.522 1
1 682 . 7 1 1 A 80 80 CYS CA C 80 57.983 58.676 -0.693 1
1 683 . 7 1 1 A 80 80 CYS CB C 80 31.306 29.390 1.916 1
1 684 . 7 1 1 A 80 80 CYS N N 80 121.517 124.304 -2.787 1
1 685 . 7 1 1 A 81 81 ILE H H 81 9.215 8.547 0.668 1
1 686 . 7 1 1 A 81 81 ILE HA H 81 3.836 3.863 -0.027 1
1 696 . 7 1 1 A 81 81 ILE C C 81 176.081 177.356 -1.275 1
1 697 . 7 1 1 A 81 81 ILE CA C 81 63.715 64.087 -0.372 1
1 698 . 7 1 1 A 81 81 ILE CB C 81 38.309 37.778 0.531 1
1 702 . 7 1 1 A 81 81 ILE N N 81 119.426 123.143 -3.717 1
1 703 . 7 1 1 A 82 82 HIS H H 82 7.439 7.757 -0.318 1
1 704 . 7 1 1 A 82 82 HIS HA H 82 4.354 4.368 -0.014 1
1 709 . 7 1 1 A 82 82 HIS C C 82 178.603 178.085 0.518 1
1 710 . 7 1 1 A 82 82 HIS CA C 82 59.802 59.398 0.404 1
1 711 . 7 1 1 A 82 82 HIS CB C 82 30.164 30.046 0.118 1
1 714 . 7 1 1 A 82 82 HIS N N 82 122.605 119.182 3.423 1
1 715 . 7 1 1 A 83 83 CYS H H 83 8.960 8.173 0.787 1
1 716 . 7 1 1 A 83 83 CYS HA H 83 3.995 4.499 -0.504 1
1 719 . 7 1 1 A 83 83 CYS C C 83 178.676 176.858 1.818 1
1 720 . 7 1 1 A 83 83 CYS CA C 83 64.648 61.485 3.163 1
1 721 . 7 1 1 A 83 83 CYS CB C 83 29.618 26.818 2.800 1
1 722 . 7 1 1 A 83 83 CYS N N 83 124.742 117.942 6.800 1
1 723 . 7 1 1 A 84 84 GLN H H 84 8.525 8.169 0.356 1
1 724 . 7 1 1 A 84 84 GLN HA H 84 3.812 4.090 -0.278 1
1 731 . 7 1 1 A 84 84 GLN C C 84 177.478 178.135 -0.657 1
1 732 . 7 1 1 A 84 84 GLN CA C 84 58.750 58.876 -0.126 1
1 733 . 7 1 1 A 84 84 GLN CB C 84 28.372 28.711 -0.339 1
1 735 . 7 1 1 A 84 84 GLN N N 84 120.642 121.169 -0.527 1
1 737 . 7 1 1 A 85 85 GLN H H 85 8.100 8.249 -0.149 1
1 738 . 7 1 1 A 85 85 GLN HA H 85 4.117 4.038 0.079 1
1 745 . 7 1 1 A 85 85 GLN C C 85 178.483 177.886 0.597 1
1 746 . 7 1 1 A 85 85 GLN CA C 85 58.857 58.666 0.191 1
1 747 . 7 1 1 A 85 85 GLN CB C 85 28.261 28.529 -0.268 1
1 749 . 7 1 1 A 85 85 GLN N N 85 118.154 117.674 0.480 1
1 751 . 7 1 1 A 86 86 GLU H H 86 7.657 8.392 -0.735 1
1 752 . 7 1 1 A 86 86 GLU HA H 86 4.049 4.053 -0.004 1
1 757 . 7 1 1 A 86 86 GLU C C 86 178.798 178.495 0.303 1
1 758 . 7 1 1 A 86 86 GLU CA C 86 58.852 59.387 -0.535 1
1 759 . 7 1 1 A 86 86 GLU CB C 86 29.716 29.246 0.470 1
1 761 . 7 1 1 A 86 86 GLU N N 86 118.055 119.025 -0.970 1
1 762 . 7 1 1 A 87 87 LYS H H 87 7.799 7.815 -0.016 1
1 763 . 7 1 1 A 87 87 LYS HA H 87 4.056 4.143 -0.087 1
1 772 . 7 1 1 A 87 87 LYS C C 87 179.025 179.285 -0.260 1
1 773 . 7 1 1 A 87 87 LYS CA C 87 58.452 59.026 -0.574 1
1 774 . 7 1 1 A 87 87 LYS CB C 87 32.067 32.132 -0.065 1
1 778 . 7 1 1 A 87 87 LYS N N 87 119.741 119.330 0.411 1
1 779 . 7 1 1 A 88 88 ASP H H 88 8.300 8.249 0.051 1
1 780 . 7 1 1 A 88 88 ASP HA H 88 4.461 4.437 0.024 1
1 783 . 7 1 1 A 88 88 ASP C C 88 177.597 178.178 -0.581 1
1 784 . 7 1 1 A 88 88 ASP CA C 88 56.228 56.647 -0.419 1
1 785 . 7 1 1 A 88 88 ASP CB C 88 40.500 41.380 -0.880 1
1 786 . 7 1 1 A 88 88 ASP N N 88 119.700 119.819 -0.119 1
1 787 . 7 1 1 A 89 89 LEU H H 89 7.672 7.664 0.008 1
1 788 . 7 1 1 A 89 89 LEU HA H 89 4.227 4.069 0.158 1
1 798 . 7 1 1 A 89 89 LEU C C 89 177.757 179.371 -1.614 1
1 799 . 7 1 1 A 89 89 LEU CA C 89 55.938 57.376 -1.438 1
1 800 . 7 1 1 A 89 89 LEU CB C 89 42.267 41.450 0.817 1
1 804 . 7 1 1 A 89 89 LEU N N 89 119.729 119.159 0.570 1
1 805 . 7 1 1 A 90 90 GLN H H 90 7.823 7.716 0.107 1
1 806 . 7 1 1 A 90 90 GLN HA H 90 4.264 4.288 -0.024 1
1 813 . 7 1 1 A 90 90 GLN C C 90 175.896 175.968 -0.072 1
1 814 . 7 1 1 A 90 90 GLN CA C 90 55.828 58.354 -2.526 1
1 815 . 7 1 1 A 90 90 GLN CB C 90 28.871 29.210 -0.339 1
1 817 . 7 1 1 A 90 90 GLN N N 90 118.133 116.652 1.481 1
1 819 . 7 1 1 A 91 91 LYS H H 91 8.016 7.418 0.598 1
1 820 . 7 1 1 A 91 91 LYS HA H 91 4.561 4.620 -0.059 1
1 829 . 7 1 1 A 91 91 LYS CA C 91 54.567 55.134 -0.567 1
1 830 . 7 1 1 A 91 91 LYS CB C 91 32.373 32.374 -0.001 1
1 834 . 7 1 1 A 91 91 LYS N N 91 122.571 118.059 4.512 1
1 835 . 7 1 1 A 92 92 PRO HA H 92 4.372 4.254 0.118 1
1 842 . 7 1 1 A 92 92 PRO C C 92 176.665 176.859 -0.194 1
1 843 . 7 1 1 A 92 92 PRO CA C 92 63.251 63.832 -0.581 1
1 844 . 7 1 1 A 92 92 PRO CB C 92 32.073 31.383 0.690 1
1 847 . 7 1 1 A 93 93 ALA H H 93 8.364 7.826 0.538 1
1 848 . 7 1 1 A 93 93 ALA HA H 93 4.245 3.935 0.310 1
1 852 . 7 1 1 A 93 93 ALA C C 93 177.504 175.687 1.817 1
1 853 . 7 1 1 A 93 93 ALA CA C 93 52.458 53.912 -1.454 1
1 854 . 7 1 1 A 93 93 ALA CB C 93 19.247 18.219 1.028 1
1 855 . 7 1 1 A 93 93 ALA N N 93 123.718 119.616 4.102 1
1 856 . 7 1 1 A 94 94 TYR H H 94 8.153 7.078 1.075 1
1 857 . 7 1 1 A 94 94 TYR HA H 94 4.626 5.357 -0.731 1
1 864 . 7 1 1 A 94 94 TYR C C 94 176.141 173.017 3.124 1
1 865 . 7 1 1 A 94 94 TYR CA C 94 57.859 55.670 2.189 1
1 866 . 7 1 1 A 94 94 TYR CB C 94 38.793 41.376 -2.583 1
1 871 . 7 1 1 A 94 94 TYR N N 94 119.293 112.977 6.316 1
1 872 . 7 1 1 A 95 95 THR H H 95 8.119 8.788 -0.669 1
1 873 . 7 1 1 A 95 95 THR HA H 95 4.286 4.894 -0.608 1
1 878 . 7 1 1 A 95 95 THR C C 95 174.813 175.672 -0.859 1
1 879 . 7 1 1 A 95 95 THR CA C 95 61.758 60.403 1.355 1
1 880 . 7 1 1 A 95 95 THR CB C 95 69.860 70.604 -0.744 1
1 882 . 7 1 1 A 95 95 THR N N 95 115.890 112.315 3.575 1
1 883 . 7 1 1 A 96 96 GLY H H 96 7.669 8.953 -1.284 1
1 884 . 7 1 1 A 96 96 GLY HA2 H 96 3.875 3.968 -0.093 1
1 885 . 7 1 1 A 96 96 GLY HA3 H 96 3.822 4.117 -0.295 1
1 886 . 7 1 1 A 96 96 GLY C C 96 173.774 173.787 -0.013 1
1 887 . 7 1 1 A 96 96 GLY CA C 96 45.320 45.744 -0.424 1
1 888 . 7 1 1 A 96 96 GLY N N 96 110.133 111.565 -1.432 1
1 889 . 7 1 1 A 97 97 TYR H H 97 8.028 7.279 0.749 1
1 890 . 7 1 1 A 97 97 TYR HA H 97 4.510 4.929 -0.419 1
1 897 . 7 1 1 A 97 97 TYR CA C 97 58.115 56.088 2.027 1
1 898 . 7 1 1 A 97 97 TYR CB C 97 38.769 41.454 -2.685 1
1 903 . 7 1 1 A 97 97 TYR N N 97 119.945 116.534 3.411 1
1 904 . 7 1 1 A 98 98 ASN HA H 98 4.641 4.438 0.203 1
1 909 . 7 1 1 A 98 98 ASN C C 98 174.882 175.820 -0.938 1
1 910 . 7 1 1 A 98 98 ASN CA C 98 53.067 56.267 -3.200 1
1 911 . 7 1 1 A 98 98 ASN CB C 98 38.835 38.188 0.647 1
1 913 . 7 1 1 A 99 99 ARG H H 99 8.226 8.281 -0.055 1
1 914 . 7 1 1 A 99 99 ARG HA H 99 4.259 4.420 -0.161 1
1 921 . 7 1 1 A 99 99 ARG C C 99 176.406 177.078 -0.672 1
1 922 . 7 1 1 A 99 99 ARG CA C 99 56.464 56.194 0.270 1
1 923 . 7 1 1 A 99 99 ARG CB C 99 30.588 29.547 1.041 1
1 926 . 7 1 1 A 99 99 ARG N N 99 121.620 116.380 5.240 1
1 927 . 7 1 1 A 100 100 ARG H H 100 8.398 8.143 0.255 1
1 928 . 7 1 1 A 100 100 ARG N N 100 121.935 121.516 0.419 1
1 929 . 7 1 1 A 101 101 GLY HA2 H 101 3.835 4.129 -0.294 1
1 930 . 7 1 1 A 101 101 GLY HA3 H 101 3.835 4.161 -0.326 1
1 931 . 7 1 1 A 101 101 GLY CA C 101 43.935 45.764 -1.829 1
1 932 . 7 1 1 A 102 102 SER HA H 102 4.460 5.325 -0.865 1
1 935 . 7 1 1 A 102 102 SER CA C 102 58.458 56.947 1.511 1
1 936 . 7 1 1 A 102 102 SER CB C 102 64.128 64.622 -0.494 1
1 937 . 7 1 1 A 103 103 LYS H H 103 8.524 8.912 -0.388 1
1 938 . 7 1 1 A 103 103 LYS HA H 103 4.305 5.037 -0.732 1
1 947 . 7 1 1 A 103 103 LYS CA C 103 56.788 54.537 2.251 1
1 948 . 7 1 1 A 103 103 LYS CB C 103 32.766 35.460 -2.694 1
1 952 . 7 1 1 A 103 103 LYS N N 103 123.092 124.007 -0.915 1
1 953 . 7 1 1 A 104 104 ASP H H 104 8.316 8.924 -0.608 1
1 954 . 7 1 1 A 104 104 ASP HA H 104 4.612 4.876 -0.264 1
1 957 . 7 1 1 A 104 104 ASP C C 104 176.493 174.983 1.510 1
1 958 . 7 1 1 A 104 104 ASP CA C 104 54.704 53.977 0.727 1
1 959 . 7 1 1 A 104 104 ASP CB C 104 41.277 40.803 0.474 1
1 960 . 7 1 1 A 104 104 ASP N N 104 120.807 125.674 -4.867 1
1 961 . 7 1 1 A 105 105 SER H H 105 8.215 8.558 -0.343 1
1 962 . 7 1 1 A 105 105 SER HA H 105 4.390 4.951 -0.561 1
1 965 . 7 1 1 A 105 105 SER C C 105 174.659 171.829 2.830 1
1 966 . 7 1 1 A 105 105 SER CA C 105 58.889 57.058 1.831 1
1 967 . 7 1 1 A 105 105 SER CB C 105 63.781 64.653 -0.872 1
1 968 . 7 1 1 A 105 105 SER N N 105 116.100 120.062 -3.962 1
1 969 . 7 1 1 A 106 106 GLN H H 106 8.396 8.662 -0.266 1
1 970 . 7 1 1 A 106 106 GLN HA H 106 4.344 4.703 -0.359 1
1 977 . 7 1 1 A 106 106 GLN C C 106 175.746 176.006 -0.260 1
1 978 . 7 1 1 A 106 106 GLN CA C 106 55.981 54.920 1.061 1
1 979 . 7 1 1 A 106 106 GLN CB C 106 29.351 32.438 -3.087 1
1 981 . 7 1 1 A 106 106 GLN N N 106 121.640 124.709 -3.069 1
1 983 . 7 1 1 A 107 107 LEU H H 107 8.172 8.666 -0.494 1
1 984 . 7 1 1 A 107 107 LEU HA H 107 4.348 3.966 0.382 1
1 994 . 7 1 1 A 107 107 LEU C C 107 176.328 178.112 -1.784 1
1 995 . 7 1 1 A 107 107 LEU CA C 107 55.385 57.682 -2.297 1
1 996 . 7 1 1 A 107 107 LEU CB C 107 42.163 41.433 0.730 1
1 1000 . 7 1 1 A 107 107 LEU N N 107 123.200 123.271 -0.071 1
1 12 . 8 1 1 A 22 22 ALA H H 22 8.289 8.270 0.019 1
1 13 . 8 1 1 A 22 22 ALA HA H 22 4.277 4.051 0.226 1
1 17 . 8 1 1 A 22 22 ALA C C 22 177.730 175.983 1.747 1
1 18 . 8 1 1 A 22 22 ALA CA C 22 52.742 51.441 1.301 1
1 19 . 8 1 1 A 22 22 ALA CB C 22 19.263 17.386 1.877 1
1 20 . 8 1 1 A 22 22 ALA N N 22 125.042 127.783 -2.741 1
1 21 . 8 1 1 A 23 23 SER H H 23 8.253 8.143 0.110 1
1 22 . 8 1 1 A 23 23 SER HA H 23 4.374 5.278 -0.904 1
1 25 . 8 1 1 A 23 23 SER C C 23 175.066 174.210 0.856 1
1 26 . 8 1 1 A 23 23 SER CA C 23 58.670 56.612 2.058 1
1 27 . 8 1 1 A 23 23 SER CB C 23 63.822 66.242 -2.420 1
1 28 . 8 1 1 A 23 23 SER N N 23 114.713 115.106 -0.393 1
1 29 . 8 1 1 A 24 24 GLY H H 24 8.368 8.910 -0.542 1
1 30 . 8 1 1 A 24 24 GLY HA2 H 24 3.945 4.041 -0.096 1
1 31 . 8 1 1 A 24 24 GLY HA3 H 24 3.886 4.058 -0.172 1
1 32 . 8 1 1 A 24 24 GLY C C 24 173.906 175.103 -1.197 1
1 33 . 8 1 1 A 24 24 GLY CA C 24 45.410 46.850 -1.440 1
1 34 . 8 1 1 A 24 24 GLY N N 24 110.595 112.423 -1.828 1
1 35 . 8 1 1 A 25 25 TRP H H 25 7.961 8.063 -0.102 1
1 36 . 8 1 1 A 25 25 TRP HA H 25 4.632 4.945 -0.313 1
1 45 . 8 1 1 A 25 25 TRP C C 25 175.880 177.328 -1.448 1
1 46 . 8 1 1 A 25 25 TRP CA C 25 57.289 56.548 0.741 1
1 47 . 8 1 1 A 25 25 TRP CB C 25 29.725 31.668 -1.943 1
1 53 . 8 1 1 A 25 25 TRP N N 25 120.881 118.109 2.772 1
1 55 . 8 1 1 A 26 26 ALA H H 26 8.129 7.249 0.880 1
1 56 . 8 1 1 A 26 26 ALA HA H 26 4.222 4.227 -0.005 1
1 60 . 8 1 1 A 26 26 ALA C C 26 176.977 177.618 -0.641 1
1 61 . 8 1 1 A 26 26 ALA CA C 26 52.345 52.687 -0.342 1
1 62 . 8 1 1 A 26 26 ALA CB C 26 19.414 20.585 -1.171 1
1 63 . 8 1 1 A 26 26 ALA N N 26 125.541 120.766 4.775 1
1 64 . 8 1 1 A 27 27 ASN H H 27 8.139 8.066 0.073 1
1 65 . 8 1 1 A 27 27 ASN HA H 27 4.581 4.718 -0.137 1
1 70 . 8 1 1 A 27 27 ASN C C 27 175.044 173.500 1.544 1
1 71 . 8 1 1 A 27 27 ASN CA C 27 53.260 52.949 0.311 1
1 72 . 8 1 1 A 27 27 ASN CB C 27 39.022 38.447 0.575 1
1 73 . 8 1 1 A 27 27 ASN N N 27 117.794 113.741 4.053 1
1 75 . 8 1 1 A 28 28 ASP H H 28 8.286 7.267 1.019 1
1 76 . 8 1 1 A 28 28 ASP HA H 28 4.581 5.018 -0.437 1
1 79 . 8 1 1 A 28 28 ASP C C 28 176.163 175.642 0.521 1
1 80 . 8 1 1 A 28 28 ASP CA C 28 54.629 52.844 1.785 1
1 81 . 8 1 1 A 28 28 ASP CB C 28 41.129 44.573 -3.444 1
1 82 . 8 1 1 A 28 28 ASP N N 28 120.788 118.463 2.325 1
1 83 . 8 1 1 A 29 29 ASP H H 29 8.287 8.923 -0.636 1
1 84 . 8 1 1 A 29 29 ASP HA H 29 4.546 4.430 0.116 1
1 87 . 8 1 1 A 29 29 ASP C C 29 176.359 177.346 -0.987 1
1 88 . 8 1 1 A 29 29 ASP CA C 29 54.883 57.240 -2.357 1
1 89 . 8 1 1 A 29 29 ASP CB C 29 41.050 40.458 0.592 1
1 90 . 8 1 1 A 29 29 ASP N N 29 120.641 120.953 -0.312 1
1 91 . 8 1 1 A 30 30 ALA H H 30 8.141 7.791 0.350 1
1 92 . 8 1 1 A 30 30 ALA HA H 30 4.278 4.239 0.039 1
1 96 . 8 1 1 A 30 30 ALA C C 30 178.218 176.621 1.597 1
1 97 . 8 1 1 A 30 30 ALA CA C 30 53.006 52.834 0.172 1
1 98 . 8 1 1 A 30 30 ALA CB C 30 19.115 17.843 1.272 1
1 99 . 8 1 1 A 30 30 ALA N N 30 123.561 120.381 3.180 1
1 100 . 8 1 1 A 31 31 VAL H H 31 7.996 7.389 0.607 1
1 101 . 8 1 1 A 31 31 VAL HA H 31 4.010 4.193 -0.183 1
1 109 . 8 1 1 A 31 31 VAL C C 31 175.417 177.814 -2.397 1
1 110 . 8 1 1 A 31 31 VAL CA C 31 62.896 63.751 -0.855 1
1 111 . 8 1 1 A 31 31 VAL CB C 31 32.567 33.637 -1.070 1
1 114 . 8 1 1 A 31 31 VAL N N 31 118.676 116.634 2.042 1
1 115 . 8 1 1 A 32 32 ASN H H 32 8.364 8.384 -0.020 1
1 116 . 8 1 1 A 32 32 ASN HA H 32 4.694 4.410 0.284 1
1 121 . 8 1 1 A 32 32 ASN C C 32 174.659 177.176 -2.517 1
1 122 . 8 1 1 A 32 32 ASN CA C 32 53.547 55.011 -1.464 1
1 123 . 8 1 1 A 32 32 ASN CB C 32 38.939 36.602 2.337 1
1 124 . 8 1 1 A 32 32 ASN N N 32 121.518 118.909 2.609 1
1 126 . 8 1 1 A 33 33 GLU H H 33 8.380 8.002 0.378 1
1 127 . 8 1 1 A 33 33 GLU HA H 33 4.240 4.093 0.147 1
1 132 . 8 1 1 A 33 33 GLU C C 33 176.641 179.954 -3.313 1
1 133 . 8 1 1 A 33 33 GLU CA C 33 57.074 59.061 -1.987 1
1 134 . 8 1 1 A 33 33 GLU CB C 33 30.212 29.259 0.953 1
1 136 . 8 1 1 A 33 33 GLU N N 33 121.497 119.798 1.699 1
1 137 . 8 1 1 A 34 34 GLN H H 34 8.333 7.480 0.853 1
1 138 . 8 1 1 A 34 34 GLN HA H 34 4.315 4.150 0.165 1
1 145 . 8 1 1 A 34 34 GLN C C 34 176.325 178.584 -2.259 1
1 146 . 8 1 1 A 34 34 GLN CA C 34 56.232 58.444 -2.212 1
1 147 . 8 1 1 A 34 34 GLN CB C 34 29.304 28.179 1.125 1
1 149 . 8 1 1 A 34 34 GLN N N 34 120.891 119.738 1.153 1
1 151 . 8 1 1 A 35 35 ILE H H 35 8.155 7.316 0.839 1
1 152 . 8 1 1 A 35 35 ILE HA H 35 4.116 4.051 0.065 1
1 162 . 8 1 1 A 35 35 ILE C C 35 176.203 177.353 -1.150 1
1 163 . 8 1 1 A 35 35 ILE CA C 35 61.645 63.908 -2.263 1
1 164 . 8 1 1 A 35 35 ILE CB C 35 38.640 38.004 0.636 1
1 168 . 8 1 1 A 35 35 ILE N N 35 121.784 118.549 3.235 1
1 169 . 8 1 1 A 36 36 ASN H H 36 8.504 7.898 0.606 1
1 170 . 8 1 1 A 36 36 ASN HA H 36 4.760 4.714 0.046 1
1 175 . 8 1 1 A 36 36 ASN C C 36 175.468 175.931 -0.463 1
1 176 . 8 1 1 A 36 36 ASN CA C 36 53.504 52.467 1.037 1
1 177 . 8 1 1 A 36 36 ASN CB C 36 38.947 38.263 0.684 1
1 178 . 8 1 1 A 36 36 ASN N N 36 122.204 119.424 2.780 1
1 180 . 8 1 1 A 37 37 SER H H 37 8.380 8.470 -0.090 1
1 181 . 8 1 1 A 37 37 SER HA H 37 4.505 4.511 -0.006 1
1 184 . 8 1 1 A 37 37 SER C C 37 174.990 174.917 0.073 1
1 185 . 8 1 1 A 37 37 SER CA C 37 58.963 58.858 0.105 1
1 186 . 8 1 1 A 37 37 SER CB C 37 63.760 63.160 0.600 1
1 187 . 8 1 1 A 37 37 SER N N 37 116.788 119.999 -3.211 1
1 188 . 8 1 1 A 38 38 THR H H 38 8.302 7.746 0.556 1
1 189 . 8 1 1 A 38 38 THR HA H 38 4.369 4.026 0.343 1
1 194 . 8 1 1 A 38 38 THR C C 38 175.437 176.851 -1.414 1
1 195 . 8 1 1 A 38 38 THR CA C 38 62.751 66.220 -3.469 1
1 196 . 8 1 1 A 38 38 THR CB C 38 69.838 68.559 1.279 1
1 198 . 8 1 1 A 38 38 THR N N 38 116.285 115.034 1.251 1
1 199 . 8 1 1 A 39 39 ILE H H 39 8.153 7.592 0.561 1
1 200 . 8 1 1 A 39 39 ILE HA H 39 4.080 3.605 0.475 1
1 210 . 8 1 1 A 39 39 ILE C C 39 176.850 177.967 -1.117 1
1 211 . 8 1 1 A 39 39 ILE CA C 39 62.295 65.536 -3.241 1
1 212 . 8 1 1 A 39 39 ILE CB C 39 38.373 37.652 0.721 1
1 216 . 8 1 1 A 39 39 ILE N N 39 123.148 121.613 1.535 1
1 217 . 8 1 1 A 40 40 GLU H H 40 8.438 8.496 -0.058 1
1 218 . 8 1 1 A 40 40 GLU HA H 40 4.146 4.029 0.117 1
1 223 . 8 1 1 A 40 40 GLU C C 40 177.573 178.545 -0.972 1
1 224 . 8 1 1 A 40 40 GLU CA C 40 58.026 59.055 -1.029 1
1 225 . 8 1 1 A 40 40 GLU CB C 40 29.870 28.819 1.051 1
1 227 . 8 1 1 A 40 40 GLU N N 40 123.184 120.072 3.112 1
1 228 . 8 1 1 A 41 41 ASP H H 41 8.295 8.295 0.000 1
1 229 . 8 1 1 A 41 41 ASP HA H 41 4.512 4.353 0.159 1
1 232 . 8 1 1 A 41 41 ASP C C 41 176.856 178.171 -1.315 1
1 233 . 8 1 1 A 41 41 ASP CA C 41 55.563 57.691 -2.128 1
1 234 . 8 1 1 A 41 41 ASP CB C 41 41.080 41.384 -0.304 1
1 235 . 8 1 1 A 41 41 ASP N N 41 121.311 120.734 0.577 1
1 236 . 8 1 1 A 42 42 ALA H H 42 8.098 7.865 0.233 1
1 237 . 8 1 1 A 42 42 ALA HA H 42 4.153 4.085 0.068 1
1 241 . 8 1 1 A 42 42 ALA C C 42 179.658 180.410 -0.752 1
1 242 . 8 1 1 A 42 42 ALA CA C 42 54.315 55.191 -0.876 1
1 243 . 8 1 1 A 42 42 ALA CB C 42 18.765 18.005 0.760 1
1 244 . 8 1 1 A 42 42 ALA N N 42 123.411 121.411 2.000 1
1 245 . 8 1 1 A 43 43 ILE H H 43 8.047 7.563 0.484 1
1 246 . 8 1 1 A 43 43 ILE HA H 43 3.904 3.753 0.151 1
1 256 . 8 1 1 A 43 43 ILE C C 43 176.603 178.045 -1.442 1
1 257 . 8 1 1 A 43 43 ILE CA C 43 63.028 64.763 -1.735 1
1 258 . 8 1 1 A 43 43 ILE CB C 43 38.140 36.724 1.416 1
1 262 . 8 1 1 A 43 43 ILE N N 43 119.853 118.685 1.168 1
1 263 . 8 1 1 A 44 44 ALA H H 44 8.072 7.950 0.122 1
1 264 . 8 1 1 A 44 44 ALA HA H 44 4.162 3.995 0.167 1
1 268 . 8 1 1 A 44 44 ALA C C 44 179.414 179.452 -0.038 1
1 269 . 8 1 1 A 44 44 ALA CA C 44 54.011 55.517 -1.506 1
1 270 . 8 1 1 A 44 44 ALA CB C 44 18.614 18.207 0.407 1
1 271 . 8 1 1 A 44 44 ALA N N 44 124.814 123.011 1.803 1
1 272 . 8 1 1 A 45 45 ARG H H 45 8.177 8.138 0.039 1
1 273 . 8 1 1 A 45 45 ARG HA H 45 4.187 4.053 0.134 1
1 280 . 8 1 1 A 45 45 ARG C C 45 177.629 178.407 -0.778 1
1 281 . 8 1 1 A 45 45 ARG CA C 45 57.569 58.590 -1.021 1
1 282 . 8 1 1 A 45 45 ARG CB C 45 30.600 29.946 0.654 1
1 285 . 8 1 1 A 45 45 ARG N N 45 118.718 117.008 1.710 1
1 286 . 8 1 1 A 46 46 ALA H H 46 8.004 7.913 0.091 1
1 287 . 8 1 1 A 46 46 ALA HA H 46 4.274 4.072 0.202 1
1 291 . 8 1 1 A 46 46 ALA C C 46 178.519 178.982 -0.463 1
1 292 . 8 1 1 A 46 46 ALA CA C 46 53.339 55.281 -1.942 1
1 293 . 8 1 1 A 46 46 ALA CB C 46 18.827 19.413 -0.586 1
1 294 . 8 1 1 A 46 46 ALA N N 46 123.416 122.475 0.941 1
1 295 . 8 1 1 A 47 47 ARG H H 47 8.082 7.835 0.247 1
1 296 . 8 1 1 A 47 47 ARG HA H 47 4.285 4.349 -0.064 1
1 303 . 8 1 1 A 47 47 ARG C C 47 177.103 176.907 0.196 1
1 304 . 8 1 1 A 47 47 ARG CA C 47 56.871 55.175 1.696 1
1 305 . 8 1 1 A 47 47 ARG CB C 47 30.655 30.616 0.039 1
1 308 . 8 1 1 A 47 47 ARG N N 47 118.672 113.324 5.348 1
1 309 . 8 1 1 A 48 48 GLY H H 48 8.160 7.668 0.492 1
1 310 . 8 1 1 A 48 48 GLY HA2 H 48 3.976 3.971 0.005 1
1 311 . 8 1 1 A 48 48 GLY HA3 H 48 3.976 3.971 0.005 1
1 312 . 8 1 1 A 48 48 GLY C C 48 174.015 174.470 -0.455 1
1 313 . 8 1 1 A 48 48 GLY CA C 48 45.337 46.007 -0.670 1
1 314 . 8 1 1 A 48 48 GLY N N 48 108.533 108.941 -0.408 1
1 315 . 8 1 1 A 49 49 GLU H H 49 8.113 8.364 -0.251 1
1 316 . 8 1 1 A 49 49 GLU HA H 49 4.317 4.486 -0.169 1
1 321 . 8 1 1 A 49 49 GLU C C 49 176.216 176.700 -0.484 1
1 322 . 8 1 1 A 49 49 GLU CA C 49 56.125 57.836 -1.711 1
1 323 . 8 1 1 A 49 49 GLU CB C 49 30.497 31.013 -0.516 1
1 325 . 8 1 1 A 49 49 GLU N N 49 120.272 122.007 -1.735 1
1 326 . 8 1 1 A 50 50 ILE H H 50 8.203 7.842 0.361 1
1 327 . 8 1 1 A 50 50 ILE HA H 50 4.419 4.205 0.214 1
1 337 . 8 1 1 A 50 50 ILE CA C 50 58.687 60.445 -1.758 1
1 338 . 8 1 1 A 50 50 ILE CB C 50 38.623 38.277 0.346 1
1 342 . 8 1 1 A 50 50 ILE N N 50 123.785 120.467 3.318 1
1 343 . 8 1 1 A 51 51 PRO HA H 51 4.414 4.747 -0.333 1
1 350 . 8 1 1 A 51 51 PRO C C 51 176.785 176.708 0.077 1
1 351 . 8 1 1 A 51 51 PRO CA C 51 63.188 62.191 0.997 1
1 352 . 8 1 1 A 51 51 PRO CB C 51 32.210 33.169 -0.959 1
1 355 . 8 1 1 A 52 52 ARG H H 52 8.545 9.077 -0.532 1
1 356 . 8 1 1 A 52 52 ARG HA H 52 4.300 4.197 0.103 1
1 363 . 8 1 1 A 52 52 ARG C C 52 176.985 176.146 0.839 1
1 364 . 8 1 1 A 52 52 ARG CA C 52 56.493 57.053 -0.560 1
1 365 . 8 1 1 A 52 52 ARG CB C 52 30.944 30.753 0.191 1
1 368 . 8 1 1 A 52 52 ARG N N 52 122.009 119.593 2.416 1
1 369 . 8 1 1 A 53 53 GLY H H 53 8.504 7.352 1.152 1
1 370 . 8 1 1 A 53 53 GLY HA2 H 53 3.995 4.045 -0.050 1
1 371 . 8 1 1 A 53 53 GLY HA3 H 53 3.934 4.045 -0.111 1
1 372 . 8 1 1 A 53 53 GLY C C 53 173.562 174.886 -1.324 1
1 373 . 8 1 1 A 53 53 GLY CA C 53 44.990 45.790 -0.800 1
1 374 . 8 1 1 A 53 53 GLY N N 53 110.270 104.810 5.460 1
1 375 . 8 1 1 A 54 54 GLU H H 54 8.216 8.830 -0.614 1
1 376 . 8 1 1 A 54 54 GLU HA H 54 4.364 4.103 0.261 1
1 381 . 8 1 1 A 54 54 GLU C C 54 177.145 177.435 -0.290 1
1 382 . 8 1 1 A 54 54 GLU CA C 54 55.883 58.895 -3.012 1
1 383 . 8 1 1 A 54 54 GLU CB C 54 30.696 29.532 1.164 1
1 385 . 8 1 1 A 54 54 GLU N N 54 119.939 122.919 -2.980 1
1 386 . 8 1 1 A 55 55 SER H H 55 8.916 7.742 1.174 1
1 387 . 8 1 1 A 55 55 SER HA H 55 4.544 4.267 0.277 1
1 390 . 8 1 1 A 55 55 SER C C 55 174.434 174.432 0.002 1
1 391 . 8 1 1 A 55 55 SER CA C 55 58.592 60.462 -1.870 1
1 392 . 8 1 1 A 55 55 SER CB C 55 63.662 63.679 -0.017 1
1 393 . 8 1 1 A 55 55 SER N N 55 118.742 117.466 1.276 1
1 394 . 8 1 1 A 56 56 LEU H H 56 8.598 7.865 0.733 1
1 395 . 8 1 1 A 56 56 LEU HA H 56 4.343 4.587 -0.244 1
1 405 . 8 1 1 A 56 56 LEU C C 56 176.024 176.899 -0.875 1
1 406 . 8 1 1 A 56 56 LEU CA C 56 54.782 53.479 1.303 1
1 407 . 8 1 1 A 56 56 LEU CB C 56 42.106 43.960 -1.854 1
1 411 . 8 1 1 A 56 56 LEU N N 56 125.386 125.304 0.082 1
1 412 . 8 1 1 A 57 57 ASP H H 57 8.211 8.619 -0.408 1
1 413 . 8 1 1 A 57 57 ASP HA H 57 4.545 4.900 -0.355 1
1 416 . 8 1 1 A 57 57 ASP C C 57 176.869 175.473 1.396 1
1 417 . 8 1 1 A 57 57 ASP CA C 57 54.978 53.402 1.576 1
1 418 . 8 1 1 A 57 57 ASP CB C 57 41.477 41.427 0.050 1
1 419 . 8 1 1 A 57 57 ASP N N 57 115.979 117.769 -1.790 1
1 420 . 8 1 1 A 58 58 GLU H H 58 7.469 7.727 -0.258 1
1 421 . 8 1 1 A 58 58 GLU HA H 58 4.717 4.715 0.002 1
1 426 . 8 1 1 A 58 58 GLU C C 58 174.081 175.277 -1.196 1
1 427 . 8 1 1 A 58 58 GLU CA C 58 54.280 55.061 -0.781 1
1 428 . 8 1 1 A 58 58 GLU CB C 58 32.995 31.254 1.741 1
1 430 . 8 1 1 A 58 58 GLU N N 58 118.912 119.056 -0.144 1
1 431 . 8 1 1 A 59 59 CYS H H 59 9.364 8.567 0.797 1
1 432 . 8 1 1 A 59 59 CYS HA H 59 4.248 4.506 -0.258 1
1 435 . 8 1 1 A 59 59 CYS C C 59 178.266 176.253 2.013 1
1 436 . 8 1 1 A 59 59 CYS CA C 59 59.782 60.243 -0.461 1
1 437 . 8 1 1 A 59 59 CYS CB C 59 31.041 29.185 1.856 1
1 438 . 8 1 1 A 59 59 CYS N N 59 124.760 125.275 -0.515 1
1 439 . 8 1 1 A 60 60 GLU H H 60 9.202 8.839 0.363 1
1 440 . 8 1 1 A 60 60 GLU HA H 60 4.202 4.072 0.130 1
1 445 . 8 1 1 A 60 60 GLU C C 60 175.834 178.217 -2.383 1
1 446 . 8 1 1 A 60 60 GLU CA C 60 58.503 58.657 -0.154 1
1 447 . 8 1 1 A 60 60 GLU CB C 60 30.041 29.137 0.904 1
1 449 . 8 1 1 A 60 60 GLU N N 60 130.690 127.252 3.438 1
1 450 . 8 1 1 A 61 61 GLU H H 61 8.751 7.650 1.101 1
1 451 . 8 1 1 A 61 61 GLU HA H 61 4.542 4.280 0.262 1
1 456 . 8 1 1 A 61 61 GLU C C 61 177.312 178.290 -0.978 1
1 457 . 8 1 1 A 61 61 GLU CA C 61 58.094 58.544 -0.450 1
1 458 . 8 1 1 A 61 61 GLU CB C 61 31.037 30.650 0.387 1
1 460 . 8 1 1 A 61 61 GLU N N 61 120.904 118.286 2.618 1
1 461 . 8 1 1 A 62 62 CYS H H 62 8.401 7.358 1.043 1
1 462 . 8 1 1 A 62 62 CYS HA H 62 5.014 4.622 0.392 1
1 465 . 8 1 1 A 62 62 CYS C C 62 177.324 175.661 1.663 1
1 466 . 8 1 1 A 62 62 CYS CA C 62 59.127 58.505 0.622 1
1 467 . 8 1 1 A 62 62 CYS CB C 62 33.355 29.092 4.263 1
1 468 . 8 1 1 A 62 62 CYS N N 62 117.947 113.784 4.163 1
1 469 . 8 1 1 A 63 63 GLY H H 63 8.048 8.108 -0.060 1
1 470 . 8 1 1 A 63 63 GLY HA2 H 63 4.234 3.934 0.300 1
1 471 . 8 1 1 A 63 63 GLY HA3 H 63 3.820 3.936 -0.116 1
1 472 . 8 1 1 A 63 63 GLY C C 63 172.914 175.064 -2.150 1
1 473 . 8 1 1 A 63 63 GLY CA C 63 46.163 46.690 -0.527 1
1 474 . 8 1 1 A 63 63 GLY N N 63 113.407 111.323 2.084 1
1 475 . 8 1 1 A 64 64 ALA H H 64 9.148 8.053 1.095 1
1 476 . 8 1 1 A 64 64 ALA HA H 64 4.536 4.419 0.117 1
1 480 . 8 1 1 A 64 64 ALA CA C 64 51.510 50.750 0.760 1
1 481 . 8 1 1 A 64 64 ALA CB C 64 19.099 19.188 -0.089 1
1 482 . 8 1 1 A 64 64 ALA N N 64 127.297 123.149 4.148 1
1 483 . 8 1 1 A 65 65 PRO HA H 65 4.583 4.601 -0.018 1
1 490 . 8 1 1 A 65 65 PRO C C 65 177.423 176.760 0.663 1
1 491 . 8 1 1 A 65 65 PRO CA C 65 63.020 63.040 -0.020 1
1 492 . 8 1 1 A 65 65 PRO CB C 65 31.832 31.570 0.262 1
1 495 . 8 1 1 A 66 66 ILE H H 66 8.053 8.085 -0.032 1
1 496 . 8 1 1 A 66 66 ILE HA H 66 4.330 4.228 0.102 1
1 506 . 8 1 1 A 66 66 ILE CA C 66 58.847 60.186 -1.339 1
1 507 . 8 1 1 A 66 66 ILE CB C 66 38.162 38.311 -0.149 1
1 511 . 8 1 1 A 66 66 ILE N N 66 125.090 124.207 0.883 1
1 512 . 8 1 1 A 67 67 PRO HA H 67 4.447 4.651 -0.204 1
1 519 . 8 1 1 A 67 67 PRO C C 67 177.325 177.752 -0.427 1
1 520 . 8 1 1 A 67 67 PRO CA C 67 62.883 62.786 0.097 1
1 521 . 8 1 1 A 67 67 PRO CB C 67 32.692 32.572 0.120 1
1 524 . 8 1 1 A 68 68 GLN H H 68 8.982 8.598 0.384 1
1 525 . 8 1 1 A 68 68 GLN HA H 68 3.791 3.985 -0.194 1
1 532 . 8 1 1 A 68 68 GLN C C 68 177.316 178.062 -0.746 1
1 533 . 8 1 1 A 68 68 GLN CA C 68 59.491 58.427 1.064 1
1 534 . 8 1 1 A 68 68 GLN CB C 68 27.882 28.078 -0.196 1
1 536 . 8 1 1 A 68 68 GLN N N 68 124.876 122.173 2.703 1
1 538 . 8 1 1 A 69 69 ALA H H 69 8.892 8.422 0.470 1
1 539 . 8 1 1 A 69 69 ALA HA H 69 4.100 4.017 0.083 1
1 543 . 8 1 1 A 69 69 ALA C C 69 180.347 179.698 0.649 1
1 544 . 8 1 1 A 69 69 ALA CA C 69 55.209 55.184 0.025 1
1 545 . 8 1 1 A 69 69 ALA CB C 69 18.097 18.278 -0.181 1
1 546 . 8 1 1 A 69 69 ALA N N 69 118.268 123.156 -4.888 1
1 547 . 8 1 1 A 70 70 ARG H H 70 7.020 7.720 -0.700 1
1 548 . 8 1 1 A 70 70 ARG HA H 70 4.234 4.067 0.167 1
1 555 . 8 1 1 A 70 70 ARG C C 70 176.438 178.712 -2.274 1
1 556 . 8 1 1 A 70 70 ARG CA C 70 58.791 59.291 -0.500 1
1 557 . 8 1 1 A 70 70 ARG CB C 70 29.544 29.698 -0.154 1
1 560 . 8 1 1 A 70 70 ARG N N 70 119.170 117.432 1.738 1
1 561 . 8 1 1 A 71 71 ARG H H 71 7.754 7.430 0.324 1
1 562 . 8 1 1 A 71 71 ARG HA H 71 3.807 4.169 -0.362 1
1 569 . 8 1 1 A 71 71 ARG C C 71 179.191 178.446 0.745 1
1 570 . 8 1 1 A 71 71 ARG CA C 71 59.782 59.309 0.473 1
1 571 . 8 1 1 A 71 71 ARG CB C 71 30.564 29.828 0.736 1
1 574 . 8 1 1 A 71 71 ARG N N 71 116.460 118.835 -2.375 1
1 575 . 8 1 1 A 72 72 GLU H H 72 8.062 8.064 -0.002 1
1 576 . 8 1 1 A 72 72 GLU HA H 72 4.014 4.130 -0.116 1
1 581 . 8 1 1 A 72 72 GLU C C 72 177.357 179.023 -1.666 1
1 582 . 8 1 1 A 72 72 GLU CA C 72 57.860 59.076 -1.216 1
1 583 . 8 1 1 A 72 72 GLU CB C 72 29.978 29.547 0.431 1
1 585 . 8 1 1 A 72 72 GLU N N 72 114.904 118.649 -3.745 1
1 586 . 8 1 1 A 73 73 ALA H H 73 7.686 7.778 -0.092 1
1 587 . 8 1 1 A 73 73 ALA HA H 73 4.199 4.123 0.076 1
1 591 . 8 1 1 A 73 73 ALA C C 73 178.246 177.772 0.474 1
1 592 . 8 1 1 A 73 73 ALA CA C 73 54.110 54.895 -0.785 1
1 593 . 8 1 1 A 73 73 ALA CB C 73 19.546 19.169 0.377 1
1 594 . 8 1 1 A 73 73 ALA N N 73 120.673 121.267 -0.594 1
1 595 . 8 1 1 A 74 74 ILE H H 74 7.609 8.022 -0.413 1
1 596 . 8 1 1 A 74 74 ILE HA H 74 4.318 4.326 -0.008 1
1 606 . 8 1 1 A 74 74 ILE CA C 74 57.722 57.849 -0.127 1
1 607 . 8 1 1 A 74 74 ILE CB C 74 38.313 38.635 -0.322 1
1 611 . 8 1 1 A 74 74 ILE N N 74 117.475 117.569 -0.094 1
1 612 . 8 1 1 A 75 75 PRO HA H 75 4.267 4.308 -0.041 1
1 619 . 8 1 1 A 75 75 PRO C C 75 179.050 177.740 1.310 1
1 620 . 8 1 1 A 75 75 PRO CA C 75 63.966 63.876 0.090 1
1 621 . 8 1 1 A 75 75 PRO CB C 75 31.409 31.361 0.048 1
1 624 . 8 1 1 A 76 76 GLY H H 76 8.594 8.784 -0.190 1
1 625 . 8 1 1 A 76 76 GLY HA2 H 76 4.081 3.937 0.144 1
1 626 . 8 1 1 A 76 76 GLY HA3 H 76 3.402 3.938 -0.536 1
1 627 . 8 1 1 A 76 76 GLY C C 76 174.447 174.674 -0.227 1
1 628 . 8 1 1 A 76 76 GLY CA C 76 45.138 46.555 -1.417 1
1 629 . 8 1 1 A 76 76 GLY N N 76 113.042 112.773 0.269 1
1 630 . 8 1 1 A 77 77 VAL H H 77 8.185 7.706 0.479 1
1 631 . 8 1 1 A 77 77 VAL HA H 77 3.955 4.057 -0.102 1
1 639 . 8 1 1 A 77 77 VAL C C 77 173.122 175.647 -2.525 1
1 640 . 8 1 1 A 77 77 VAL CA C 77 63.160 62.251 0.909 1
1 641 . 8 1 1 A 77 77 VAL CB C 77 30.748 32.506 -1.758 1
1 644 . 8 1 1 A 77 77 VAL N N 77 124.214 120.118 4.096 1
1 645 . 8 1 1 A 78 78 ARG H H 78 8.635 8.963 -0.328 1
1 646 . 8 1 1 A 78 78 ARG HA H 78 4.547 4.705 -0.158 1
1 653 . 8 1 1 A 78 78 ARG C C 78 173.948 175.634 -1.686 1
1 654 . 8 1 1 A 78 78 ARG CA C 78 55.410 56.263 -0.853 1
1 655 . 8 1 1 A 78 78 ARG CB C 78 33.618 32.207 1.411 1
1 658 . 8 1 1 A 78 78 ARG N N 78 121.505 125.583 -4.078 1
1 659 . 8 1 1 A 79 79 LEU H H 79 7.037 7.778 -0.741 1
1 660 . 8 1 1 A 79 79 LEU HA H 79 6.078 4.809 1.269 1
1 670 . 8 1 1 A 79 79 LEU C C 79 178.615 176.368 2.247 1
1 671 . 8 1 1 A 79 79 LEU CA C 79 52.286 53.016 -0.730 1
1 672 . 8 1 1 A 79 79 LEU CB C 79 46.763 44.114 2.649 1
1 676 . 8 1 1 A 79 79 LEU N N 79 116.511 119.935 -3.424 1
1 677 . 8 1 1 A 80 80 CYS H H 80 9.639 8.345 1.294 1
1 678 . 8 1 1 A 80 80 CYS HA H 80 4.595 4.576 0.019 1
1 681 . 8 1 1 A 80 80 CYS C C 80 174.898 175.423 -0.525 1
1 682 . 8 1 1 A 80 80 CYS CA C 80 57.983 58.769 -0.786 1
1 683 . 8 1 1 A 80 80 CYS CB C 80 31.306 29.197 2.109 1
1 684 . 8 1 1 A 80 80 CYS N N 80 121.517 122.254 -0.737 1
1 685 . 8 1 1 A 81 81 ILE H H 81 9.215 8.522 0.693 1
1 686 . 8 1 1 A 81 81 ILE HA H 81 3.836 3.857 -0.021 1
1 696 . 8 1 1 A 81 81 ILE C C 81 176.081 177.482 -1.401 1
1 697 . 8 1 1 A 81 81 ILE CA C 81 63.715 64.019 -0.304 1
1 698 . 8 1 1 A 81 81 ILE CB C 81 38.309 37.764 0.545 1
1 702 . 8 1 1 A 81 81 ILE N N 81 119.426 123.318 -3.892 1
1 703 . 8 1 1 A 82 82 HIS H H 82 7.439 7.770 -0.331 1
1 704 . 8 1 1 A 82 82 HIS HA H 82 4.354 4.334 0.020 1
1 709 . 8 1 1 A 82 82 HIS C C 82 178.603 177.999 0.604 1
1 710 . 8 1 1 A 82 82 HIS CA C 82 59.802 59.685 0.117 1
1 711 . 8 1 1 A 82 82 HIS CB C 82 30.164 29.594 0.570 1
1 714 . 8 1 1 A 82 82 HIS N N 82 122.605 119.629 2.976 1
1 715 . 8 1 1 A 83 83 CYS H H 83 8.960 8.275 0.685 1
1 716 . 8 1 1 A 83 83 CYS HA H 83 3.995 4.529 -0.534 1
1 719 . 8 1 1 A 83 83 CYS C C 83 178.676 177.165 1.511 1
1 720 . 8 1 1 A 83 83 CYS CA C 83 64.648 61.509 3.139 1
1 721 . 8 1 1 A 83 83 CYS CB C 83 29.618 26.927 2.691 1
1 722 . 8 1 1 A 83 83 CYS N N 83 124.742 117.972 6.770 1
1 723 . 8 1 1 A 84 84 GLN H H 84 8.525 8.186 0.339 1
1 724 . 8 1 1 A 84 84 GLN HA H 84 3.812 4.043 -0.231 1
1 731 . 8 1 1 A 84 84 GLN C C 84 177.478 178.079 -0.601 1
1 732 . 8 1 1 A 84 84 GLN CA C 84 58.750 58.998 -0.248 1
1 733 . 8 1 1 A 84 84 GLN CB C 84 28.372 28.582 -0.210 1
1 735 . 8 1 1 A 84 84 GLN N N 84 120.642 121.751 -1.109 1
1 737 . 8 1 1 A 85 85 GLN H H 85 8.100 8.237 -0.137 1
1 738 . 8 1 1 A 85 85 GLN HA H 85 4.117 4.007 0.110 1
1 745 . 8 1 1 A 85 85 GLN C C 85 178.483 177.822 0.661 1
1 746 . 8 1 1 A 85 85 GLN CA C 85 58.857 58.737 0.120 1
1 747 . 8 1 1 A 85 85 GLN CB C 85 28.261 28.473 -0.212 1
1 749 . 8 1 1 A 85 85 GLN N N 85 118.154 117.641 0.513 1
1 751 . 8 1 1 A 86 86 GLU H H 86 7.657 8.411 -0.754 1
1 752 . 8 1 1 A 86 86 GLU HA H 86 4.049 4.074 -0.025 1
1 757 . 8 1 1 A 86 86 GLU C C 86 178.798 178.548 0.250 1
1 758 . 8 1 1 A 86 86 GLU CA C 86 58.852 59.410 -0.558 1
1 759 . 8 1 1 A 86 86 GLU CB C 86 29.716 29.192 0.524 1
1 761 . 8 1 1 A 86 86 GLU N N 86 118.055 118.761 -0.706 1
1 762 . 8 1 1 A 87 87 LYS H H 87 7.799 7.547 0.252 1
1 763 . 8 1 1 A 87 87 LYS HA H 87 4.056 4.146 -0.090 1
1 772 . 8 1 1 A 87 87 LYS C C 87 179.025 179.342 -0.317 1
1 773 . 8 1 1 A 87 87 LYS CA C 87 58.452 59.013 -0.561 1
1 774 . 8 1 1 A 87 87 LYS CB C 87 32.067 32.076 -0.009 1
1 778 . 8 1 1 A 87 87 LYS N N 87 119.741 119.431 0.310 1
1 779 . 8 1 1 A 88 88 ASP H H 88 8.300 8.189 0.111 1
1 780 . 8 1 1 A 88 88 ASP HA H 88 4.461 4.442 0.019 1
1 783 . 8 1 1 A 88 88 ASP C C 88 177.597 178.584 -0.987 1
1 784 . 8 1 1 A 88 88 ASP CA C 88 56.228 56.809 -0.581 1
1 785 . 8 1 1 A 88 88 ASP CB C 88 40.500 41.378 -0.878 1
1 786 . 8 1 1 A 88 88 ASP N N 88 119.700 119.987 -0.287 1
1 787 . 8 1 1 A 89 89 LEU H H 89 7.672 7.775 -0.103 1
1 788 . 8 1 1 A 89 89 LEU HA H 89 4.227 4.008 0.219 1
1 798 . 8 1 1 A 89 89 LEU C C 89 177.757 178.520 -0.763 1
1 799 . 8 1 1 A 89 89 LEU CA C 89 55.938 57.873 -1.935 1
1 800 . 8 1 1 A 89 89 LEU CB C 89 42.267 41.033 1.234 1
1 804 . 8 1 1 A 89 89 LEU N N 89 119.729 119.337 0.392 1
1 805 . 8 1 1 A 90 90 GLN H H 90 7.823 7.493 0.330 1
1 806 . 8 1 1 A 90 90 GLN HA H 90 4.264 4.349 -0.085 1
1 813 . 8 1 1 A 90 90 GLN C C 90 175.896 176.045 -0.149 1
1 814 . 8 1 1 A 90 90 GLN CA C 90 55.828 56.385 -0.557 1
1 815 . 8 1 1 A 90 90 GLN CB C 90 28.871 29.158 -0.287 1
1 817 . 8 1 1 A 90 90 GLN N N 90 118.133 115.714 2.419 1
1 819 . 8 1 1 A 91 91 LYS H H 91 8.016 7.001 1.015 1
1 820 . 8 1 1 A 91 91 LYS HA H 91 4.561 4.475 0.086 1
1 829 . 8 1 1 A 91 91 LYS CA C 91 54.567 54.022 0.545 1
1 830 . 8 1 1 A 91 91 LYS CB C 91 32.373 32.064 0.309 1
1 834 . 8 1 1 A 91 91 LYS N N 91 122.571 120.051 2.520 1
1 835 . 8 1 1 A 92 92 PRO HA H 92 4.372 4.348 0.024 1
1 842 . 8 1 1 A 92 92 PRO C C 92 176.665 176.899 -0.234 1
1 843 . 8 1 1 A 92 92 PRO CA C 92 63.251 65.585 -2.334 1
1 844 . 8 1 1 A 92 92 PRO CB C 92 32.073 31.546 0.527 1
1 847 . 8 1 1 A 93 93 ALA H H 93 8.364 7.943 0.421 1
1 848 . 8 1 1 A 93 93 ALA HA H 93 4.245 3.987 0.258 1
1 852 . 8 1 1 A 93 93 ALA C C 93 177.504 175.655 1.849 1
1 853 . 8 1 1 A 93 93 ALA CA C 93 52.458 53.603 -1.145 1
1 854 . 8 1 1 A 93 93 ALA CB C 93 19.247 18.034 1.213 1
1 855 . 8 1 1 A 93 93 ALA N N 93 123.718 120.022 3.696 1
1 856 . 8 1 1 A 94 94 TYR H H 94 8.153 7.285 0.868 1
1 857 . 8 1 1 A 94 94 TYR HA H 94 4.626 4.699 -0.073 1
1 864 . 8 1 1 A 94 94 TYR C C 94 176.141 175.185 0.956 1
1 865 . 8 1 1 A 94 94 TYR CA C 94 57.859 56.011 1.848 1
1 866 . 8 1 1 A 94 94 TYR CB C 94 38.793 39.910 -1.117 1
1 871 . 8 1 1 A 94 94 TYR N N 94 119.293 112.006 7.287 1
1 872 . 8 1 1 A 95 95 THR H H 95 8.119 8.326 -0.207 1
1 873 . 8 1 1 A 95 95 THR HA H 95 4.286 4.422 -0.136 1
1 878 . 8 1 1 A 95 95 THR C C 95 174.813 175.220 -0.407 1
1 879 . 8 1 1 A 95 95 THR CA C 95 61.758 61.642 0.116 1
1 880 . 8 1 1 A 95 95 THR CB C 95 69.860 70.511 -0.651 1
1 882 . 8 1 1 A 95 95 THR N N 95 115.890 112.183 3.707 1
1 883 . 8 1 1 A 96 96 GLY H H 96 7.669 8.128 -0.459 1
1 884 . 8 1 1 A 96 96 GLY HA2 H 96 3.875 4.182 -0.307 1
1 885 . 8 1 1 A 96 96 GLY HA3 H 96 3.822 4.305 -0.483 1
1 886 . 8 1 1 A 96 96 GLY C C 96 173.774 173.287 0.487 1
1 887 . 8 1 1 A 96 96 GLY CA C 96 45.320 45.241 0.079 1
1 888 . 8 1 1 A 96 96 GLY N N 96 110.133 110.623 -0.490 1
1 889 . 8 1 1 A 97 97 TYR H H 97 8.028 6.782 1.246 1
1 890 . 8 1 1 A 97 97 TYR HA H 97 4.510 4.959 -0.449 1
1 897 . 8 1 1 A 97 97 TYR CA C 97 58.115 56.145 1.970 1
1 898 . 8 1 1 A 97 97 TYR CB C 97 38.769 40.958 -2.189 1
1 903 . 8 1 1 A 97 97 TYR N N 97 119.945 115.667 4.278 1
1 904 . 8 1 1 A 98 98 ASN HA H 98 4.641 4.586 0.055 1
1 909 . 8 1 1 A 98 98 ASN C C 98 174.882 175.839 -0.957 1
1 910 . 8 1 1 A 98 98 ASN CA C 98 53.067 56.048 -2.981 1
1 911 . 8 1 1 A 98 98 ASN CB C 98 38.835 37.538 1.297 1
1 913 . 8 1 1 A 99 99 ARG H H 99 8.226 7.692 0.534 1
1 914 . 8 1 1 A 99 99 ARG HA H 99 4.259 4.503 -0.244 1
1 921 . 8 1 1 A 99 99 ARG C C 99 176.406 175.882 0.524 1
1 922 . 8 1 1 A 99 99 ARG CA C 99 56.464 55.617 0.847 1
1 923 . 8 1 1 A 99 99 ARG CB C 99 30.588 31.328 -0.740 1
1 926 . 8 1 1 A 99 99 ARG N N 99 121.620 118.114 3.506 1
1 927 . 8 1 1 A 100 100 ARG H H 100 8.398 8.634 -0.236 1
1 928 . 8 1 1 A 100 100 ARG N N 100 121.935 119.678 2.257 1
1 929 . 8 1 1 A 101 101 GLY HA2 H 101 3.835 4.021 -0.186 1
1 930 . 8 1 1 A 101 101 GLY HA3 H 101 3.835 4.140 -0.305 1
1 931 . 8 1 1 A 101 101 GLY CA C 101 43.935 46.631 -2.696 1
1 932 . 8 1 1 A 102 102 SER HA H 102 4.460 4.684 -0.224 1
1 935 . 8 1 1 A 102 102 SER CA C 102 58.458 57.405 1.053 1
1 936 . 8 1 1 A 102 102 SER CB C 102 64.128 61.666 2.462 1
1 937 . 8 1 1 A 103 103 LYS H H 103 8.524 8.757 -0.233 1
1 938 . 8 1 1 A 103 103 LYS HA H 103 4.305 4.236 0.069 1
1 947 . 8 1 1 A 103 103 LYS CA C 103 56.788 57.586 -0.798 1
1 948 . 8 1 1 A 103 103 LYS CB C 103 32.766 32.932 -0.166 1
1 952 . 8 1 1 A 103 103 LYS N N 103 123.092 126.281 -3.189 1
1 953 . 8 1 1 A 104 104 ASP H H 104 8.316 7.689 0.627 1
1 954 . 8 1 1 A 104 104 ASP HA H 104 4.612 4.859 -0.247 1
1 957 . 8 1 1 A 104 104 ASP C C 104 176.493 175.456 1.037 1
1 958 . 8 1 1 A 104 104 ASP CA C 104 54.704 52.811 1.893 1
1 959 . 8 1 1 A 104 104 ASP CB C 104 41.277 42.555 -1.278 1
1 960 . 8 1 1 A 104 104 ASP N N 104 120.807 116.206 4.601 1
1 961 . 8 1 1 A 105 105 SER H H 105 8.215 8.633 -0.418 1
1 962 . 8 1 1 A 105 105 SER HA H 105 4.390 4.727 -0.337 1
1 965 . 8 1 1 A 105 105 SER C C 105 174.659 174.205 0.454 1
1 966 . 8 1 1 A 105 105 SER CA C 105 58.889 57.329 1.560 1
1 967 . 8 1 1 A 105 105 SER CB C 105 63.781 64.632 -0.851 1
1 968 . 8 1 1 A 105 105 SER N N 105 116.100 114.508 1.592 1
1 969 . 8 1 1 A 106 106 GLN H H 106 8.396 7.499 0.897 1
1 970 . 8 1 1 A 106 106 GLN HA H 106 4.344 4.422 -0.078 1
1 977 . 8 1 1 A 106 106 GLN C C 106 175.746 176.544 -0.798 1
1 978 . 8 1 1 A 106 106 GLN CA C 106 55.981 55.861 0.120 1
1 979 . 8 1 1 A 106 106 GLN CB C 106 29.351 29.881 -0.530 1
1 981 . 8 1 1 A 106 106 GLN N N 106 121.640 120.796 0.844 1
1 983 . 8 1 1 A 107 107 LEU H H 107 8.172 8.617 -0.445 1
1 984 . 8 1 1 A 107 107 LEU HA H 107 4.348 4.748 -0.400 1
1 994 . 8 1 1 A 107 107 LEU C C 107 176.328 175.771 0.557 1
1 995 . 8 1 1 A 107 107 LEU CA C 107 55.385 54.318 1.067 1
1 996 . 8 1 1 A 107 107 LEU CB C 107 42.163 43.103 -0.940 1
1 1000 . 8 1 1 A 107 107 LEU N N 107 123.200 118.271 4.929 1
1 12 . 9 1 1 A 22 22 ALA H H 22 8.289 8.378 -0.089 1
1 13 . 9 1 1 A 22 22 ALA HA H 22 4.277 4.126 0.151 1
1 17 . 9 1 1 A 22 22 ALA C C 22 177.730 176.524 1.206 1
1 18 . 9 1 1 A 22 22 ALA CA C 22 52.742 51.811 0.931 1
1 19 . 9 1 1 A 22 22 ALA CB C 22 19.263 18.121 1.142 1
1 20 . 9 1 1 A 22 22 ALA N N 22 125.042 130.327 -5.285 1
1 21 . 9 1 1 A 23 23 SER H H 23 8.253 8.240 0.013 1
1 22 . 9 1 1 A 23 23 SER HA H 23 4.374 5.039 -0.665 1
1 25 . 9 1 1 A 23 23 SER C C 23 175.066 173.701 1.365 1
1 26 . 9 1 1 A 23 23 SER CA C 23 58.670 57.303 1.367 1
1 27 . 9 1 1 A 23 23 SER CB C 23 63.822 65.719 -1.897 1
1 28 . 9 1 1 A 23 23 SER N N 23 114.713 116.471 -1.758 1
1 29 . 9 1 1 A 24 24 GLY H H 24 8.368 8.961 -0.593 1
1 30 . 9 1 1 A 24 24 GLY HA2 H 24 3.945 3.903 0.042 1
1 31 . 9 1 1 A 24 24 GLY HA3 H 24 3.886 3.943 -0.057 1
1 32 . 9 1 1 A 24 24 GLY C C 24 173.906 175.306 -1.400 1
1 33 . 9 1 1 A 24 24 GLY CA C 24 45.410 46.394 -0.984 1
1 34 . 9 1 1 A 24 24 GLY N N 24 110.595 112.633 -2.038 1
1 35 . 9 1 1 A 25 25 TRP H H 25 7.961 7.980 -0.019 1
1 36 . 9 1 1 A 25 25 TRP HA H 25 4.632 4.662 -0.030 1
1 45 . 9 1 1 A 25 25 TRP C C 25 175.880 177.301 -1.421 1
1 46 . 9 1 1 A 25 25 TRP CA C 25 57.289 57.940 -0.651 1
1 47 . 9 1 1 A 25 25 TRP CB C 25 29.725 30.701 -0.976 1
1 53 . 9 1 1 A 25 25 TRP N N 25 120.881 119.684 1.197 1
1 55 . 9 1 1 A 26 26 ALA H H 26 8.129 7.264 0.865 1
1 56 . 9 1 1 A 26 26 ALA HA H 26 4.222 4.266 -0.044 1
1 60 . 9 1 1 A 26 26 ALA C C 26 176.977 176.059 0.918 1
1 61 . 9 1 1 A 26 26 ALA CA C 26 52.345 51.188 1.157 1
1 62 . 9 1 1 A 26 26 ALA CB C 26 19.414 20.068 -0.654 1
1 63 . 9 1 1 A 26 26 ALA N N 26 125.541 120.397 5.144 1
1 64 . 9 1 1 A 27 27 ASN H H 27 8.139 7.732 0.407 1
1 65 . 9 1 1 A 27 27 ASN HA H 27 4.581 5.319 -0.738 1
1 70 . 9 1 1 A 27 27 ASN C C 27 175.044 173.376 1.668 1
1 71 . 9 1 1 A 27 27 ASN CA C 27 53.260 51.500 1.760 1
1 72 . 9 1 1 A 27 27 ASN CB C 27 39.022 42.241 -3.219 1
1 73 . 9 1 1 A 27 27 ASN N N 27 117.794 114.889 2.905 1
1 75 . 9 1 1 A 28 28 ASP H H 28 8.286 8.397 -0.111 1
1 76 . 9 1 1 A 28 28 ASP HA H 28 4.581 4.989 -0.408 1
1 79 . 9 1 1 A 28 28 ASP C C 28 176.163 175.297 0.866 1
1 80 . 9 1 1 A 28 28 ASP CA C 28 54.629 52.841 1.788 1
1 81 . 9 1 1 A 28 28 ASP CB C 28 41.129 44.268 -3.139 1
1 82 . 9 1 1 A 28 28 ASP N N 28 120.788 118.583 2.205 1
1 83 . 9 1 1 A 29 29 ASP H H 29 8.287 8.906 -0.619 1
1 84 . 9 1 1 A 29 29 ASP HA H 29 4.546 4.263 0.283 1
1 87 . 9 1 1 A 29 29 ASP C C 29 176.359 177.580 -1.221 1
1 88 . 9 1 1 A 29 29 ASP CA C 29 54.883 57.198 -2.315 1
1 89 . 9 1 1 A 29 29 ASP CB C 29 41.050 40.762 0.288 1
1 90 . 9 1 1 A 29 29 ASP N N 29 120.641 123.894 -3.253 1
1 91 . 9 1 1 A 30 30 ALA H H 30 8.141 7.502 0.639 1
1 92 . 9 1 1 A 30 30 ALA HA H 30 4.278 4.349 -0.071 1
1 96 . 9 1 1 A 30 30 ALA C C 30 178.218 178.342 -0.124 1
1 97 . 9 1 1 A 30 30 ALA CA C 30 53.006 54.153 -1.147 1
1 98 . 9 1 1 A 30 30 ALA CB C 30 19.115 18.261 0.854 1
1 99 . 9 1 1 A 30 30 ALA N N 30 123.561 120.607 2.954 1
1 100 . 9 1 1 A 31 31 VAL H H 31 7.996 7.530 0.466 1
1 101 . 9 1 1 A 31 31 VAL HA H 31 4.010 3.829 0.181 1
1 109 . 9 1 1 A 31 31 VAL C C 31 175.417 177.564 -2.147 1
1 110 . 9 1 1 A 31 31 VAL CA C 31 62.896 65.382 -2.486 1
1 111 . 9 1 1 A 31 31 VAL CB C 31 32.567 31.918 0.649 1
1 114 . 9 1 1 A 31 31 VAL N N 31 118.676 116.434 2.242 1
1 115 . 9 1 1 A 32 32 ASN H H 32 8.364 8.186 0.178 1
1 116 . 9 1 1 A 32 32 ASN HA H 32 4.694 4.387 0.307 1
1 121 . 9 1 1 A 32 32 ASN C C 32 174.659 177.405 -2.746 1
1 122 . 9 1 1 A 32 32 ASN CA C 32 53.547 56.739 -3.192 1
1 123 . 9 1 1 A 32 32 ASN CB C 32 38.939 39.202 -0.263 1
1 124 . 9 1 1 A 32 32 ASN N N 32 121.518 119.060 2.458 1
1 126 . 9 1 1 A 33 33 GLU H H 33 8.380 8.212 0.168 1
1 127 . 9 1 1 A 33 33 GLU HA H 33 4.240 4.023 0.217 1
1 132 . 9 1 1 A 33 33 GLU C C 33 176.641 178.998 -2.357 1
1 133 . 9 1 1 A 33 33 GLU CA C 33 57.074 59.350 -2.276 1
1 134 . 9 1 1 A 33 33 GLU CB C 33 30.212 29.228 0.984 1
1 136 . 9 1 1 A 33 33 GLU N N 33 121.497 117.388 4.109 1
1 137 . 9 1 1 A 34 34 GLN H H 34 8.333 7.869 0.464 1
1 138 . 9 1 1 A 34 34 GLN HA H 34 4.315 4.060 0.255 1
1 145 . 9 1 1 A 34 34 GLN C C 34 176.325 177.958 -1.633 1
1 146 . 9 1 1 A 34 34 GLN CA C 34 56.232 58.602 -2.370 1
1 147 . 9 1 1 A 34 34 GLN CB C 34 29.304 28.017 1.287 1
1 149 . 9 1 1 A 34 34 GLN N N 34 120.891 119.019 1.872 1
1 151 . 9 1 1 A 35 35 ILE H H 35 8.155 7.085 1.070 1
1 152 . 9 1 1 A 35 35 ILE HA H 35 4.116 4.118 -0.002 1
1 162 . 9 1 1 A 35 35 ILE C C 35 176.203 176.079 0.124 1
1 163 . 9 1 1 A 35 35 ILE CA C 35 61.645 62.916 -1.271 1
1 164 . 9 1 1 A 35 35 ILE CB C 35 38.640 38.535 0.105 1
1 168 . 9 1 1 A 35 35 ILE N N 35 121.784 117.917 3.867 1
1 169 . 9 1 1 A 36 36 ASN H H 36 8.504 7.737 0.767 1
1 170 . 9 1 1 A 36 36 ASN HA H 36 4.760 4.614 0.146 1
1 175 . 9 1 1 A 36 36 ASN C C 36 175.468 176.432 -0.964 1
1 176 . 9 1 1 A 36 36 ASN CA C 36 53.504 53.875 -0.371 1
1 177 . 9 1 1 A 36 36 ASN CB C 36 38.947 40.191 -1.244 1
1 178 . 9 1 1 A 36 36 ASN N N 36 122.204 120.472 1.732 1
1 180 . 9 1 1 A 37 37 SER H H 37 8.380 9.086 -0.706 1
1 181 . 9 1 1 A 37 37 SER HA H 37 4.505 4.427 0.078 1
1 184 . 9 1 1 A 37 37 SER C C 37 174.990 176.564 -1.574 1
1 185 . 9 1 1 A 37 37 SER CA C 37 58.963 61.057 -2.094 1
1 186 . 9 1 1 A 37 37 SER CB C 37 63.760 63.276 0.484 1
1 187 . 9 1 1 A 37 37 SER N N 37 116.788 122.201 -5.413 1
1 188 . 9 1 1 A 38 38 THR H H 38 8.302 7.838 0.464 1
1 189 . 9 1 1 A 38 38 THR HA H 38 4.369 4.179 0.190 1
1 194 . 9 1 1 A 38 38 THR C C 38 175.437 176.908 -1.471 1
1 195 . 9 1 1 A 38 38 THR CA C 38 62.751 66.158 -3.407 1
1 196 . 9 1 1 A 38 38 THR CB C 38 69.838 68.319 1.519 1
1 198 . 9 1 1 A 38 38 THR N N 38 116.285 115.747 0.538 1
1 199 . 9 1 1 A 39 39 ILE H H 39 8.153 8.010 0.143 1
1 200 . 9 1 1 A 39 39 ILE HA H 39 4.080 3.626 0.454 1
1 210 . 9 1 1 A 39 39 ILE C C 39 176.850 178.106 -1.256 1
1 211 . 9 1 1 A 39 39 ILE CA C 39 62.295 65.115 -2.820 1
1 212 . 9 1 1 A 39 39 ILE CB C 39 38.373 37.231 1.142 1
1 216 . 9 1 1 A 39 39 ILE N N 39 123.148 122.215 0.933 1
1 217 . 9 1 1 A 40 40 GLU H H 40 8.438 8.410 0.028 1
1 218 . 9 1 1 A 40 40 GLU HA H 40 4.146 4.012 0.134 1
1 223 . 9 1 1 A 40 40 GLU C C 40 177.573 178.504 -0.931 1
1 224 . 9 1 1 A 40 40 GLU CA C 40 58.026 59.463 -1.437 1
1 225 . 9 1 1 A 40 40 GLU CB C 40 29.870 29.133 0.737 1
1 227 . 9 1 1 A 40 40 GLU N N 40 123.184 120.729 2.455 1
1 228 . 9 1 1 A 41 41 ASP H H 41 8.295 7.634 0.661 1
1 229 . 9 1 1 A 41 41 ASP HA H 41 4.512 4.346 0.166 1
1 232 . 9 1 1 A 41 41 ASP C C 41 176.856 178.821 -1.965 1
1 233 . 9 1 1 A 41 41 ASP CA C 41 55.563 57.144 -1.581 1
1 234 . 9 1 1 A 41 41 ASP CB C 41 41.080 40.282 0.798 1
1 235 . 9 1 1 A 41 41 ASP N N 41 121.311 120.596 0.715 1
1 236 . 9 1 1 A 42 42 ALA H H 42 8.098 7.829 0.269 1
1 237 . 9 1 1 A 42 42 ALA HA H 42 4.153 4.099 0.054 1
1 241 . 9 1 1 A 42 42 ALA C C 42 179.658 179.921 -0.263 1
1 242 . 9 1 1 A 42 42 ALA CA C 42 54.315 55.162 -0.847 1
1 243 . 9 1 1 A 42 42 ALA CB C 42 18.765 18.799 -0.034 1
1 244 . 9 1 1 A 42 42 ALA N N 42 123.411 122.382 1.029 1
1 245 . 9 1 1 A 43 43 ILE H H 43 8.047 7.823 0.224 1
1 246 . 9 1 1 A 43 43 ILE HA H 43 3.904 3.740 0.164 1
1 256 . 9 1 1 A 43 43 ILE C C 43 176.603 178.099 -1.496 1
1 257 . 9 1 1 A 43 43 ILE CA C 43 63.028 65.058 -2.030 1
1 258 . 9 1 1 A 43 43 ILE CB C 43 38.140 37.086 1.054 1
1 262 . 9 1 1 A 43 43 ILE N N 43 119.853 117.488 2.365 1
1 263 . 9 1 1 A 44 44 ALA H H 44 8.072 7.956 0.116 1
1 264 . 9 1 1 A 44 44 ALA HA H 44 4.162 4.009 0.153 1
1 268 . 9 1 1 A 44 44 ALA C C 44 179.414 179.654 -0.240 1
1 269 . 9 1 1 A 44 44 ALA CA C 44 54.011 55.381 -1.370 1
1 270 . 9 1 1 A 44 44 ALA CB C 44 18.614 17.900 0.714 1
1 271 . 9 1 1 A 44 44 ALA N N 44 124.814 123.496 1.318 1
1 272 . 9 1 1 A 45 45 ARG H H 45 8.177 7.728 0.449 1
1 273 . 9 1 1 A 45 45 ARG HA H 45 4.187 4.150 0.037 1
1 280 . 9 1 1 A 45 45 ARG C C 45 177.629 178.471 -0.842 1
1 281 . 9 1 1 A 45 45 ARG CA C 45 57.569 57.860 -0.291 1
1 282 . 9 1 1 A 45 45 ARG CB C 45 30.600 29.814 0.786 1
1 285 . 9 1 1 A 45 45 ARG N N 45 118.718 116.480 2.238 1
1 286 . 9 1 1 A 46 46 ALA H H 46 8.004 7.457 0.547 1
1 287 . 9 1 1 A 46 46 ALA HA H 46 4.274 4.202 0.072 1
1 291 . 9 1 1 A 46 46 ALA C C 46 178.519 178.497 0.022 1
1 292 . 9 1 1 A 46 46 ALA CA C 46 53.339 54.781 -1.442 1
1 293 . 9 1 1 A 46 46 ALA CB C 46 18.827 19.148 -0.321 1
1 294 . 9 1 1 A 46 46 ALA N N 46 123.416 122.525 0.891 1
1 295 . 9 1 1 A 47 47 ARG H H 47 8.082 7.608 0.474 1
1 296 . 9 1 1 A 47 47 ARG HA H 47 4.285 4.520 -0.235 1
1 303 . 9 1 1 A 47 47 ARG C C 47 177.103 176.949 0.154 1
1 304 . 9 1 1 A 47 47 ARG CA C 47 56.871 55.283 1.588 1
1 305 . 9 1 1 A 47 47 ARG CB C 47 30.655 32.557 -1.902 1
1 308 . 9 1 1 A 47 47 ARG N N 47 118.672 113.638 5.034 1
1 309 . 9 1 1 A 48 48 GLY H H 48 8.160 7.533 0.627 1
1 310 . 9 1 1 A 48 48 GLY HA2 H 48 3.976 3.963 0.013 1
1 311 . 9 1 1 A 48 48 GLY HA3 H 48 3.976 3.963 0.013 1
1 312 . 9 1 1 A 48 48 GLY C C 48 174.015 174.826 -0.811 1
1 313 . 9 1 1 A 48 48 GLY CA C 48 45.337 46.410 -1.073 1
1 314 . 9 1 1 A 48 48 GLY N N 48 108.533 108.942 -0.409 1
1 315 . 9 1 1 A 49 49 GLU H H 49 8.113 8.044 0.069 1
1 316 . 9 1 1 A 49 49 GLU HA H 49 4.317 4.226 0.091 1
1 321 . 9 1 1 A 49 49 GLU C C 49 176.216 177.022 -0.806 1
1 322 . 9 1 1 A 49 49 GLU CA C 49 56.125 58.201 -2.076 1
1 323 . 9 1 1 A 49 49 GLU CB C 49 30.497 30.557 -0.060 1
1 325 . 9 1 1 A 49 49 GLU N N 49 120.272 120.312 -0.040 1
1 326 . 9 1 1 A 50 50 ILE H H 50 8.203 7.755 0.448 1
1 327 . 9 1 1 A 50 50 ILE HA H 50 4.419 4.186 0.233 1
1 337 . 9 1 1 A 50 50 ILE CA C 50 58.687 60.655 -1.968 1
1 338 . 9 1 1 A 50 50 ILE CB C 50 38.623 38.086 0.537 1
1 342 . 9 1 1 A 50 50 ILE N N 50 123.785 120.806 2.979 1
1 343 . 9 1 1 A 51 51 PRO HA H 51 4.414 4.697 -0.283 1
1 350 . 9 1 1 A 51 51 PRO C C 51 176.785 176.481 0.304 1
1 351 . 9 1 1 A 51 51 PRO CA C 51 63.188 62.314 0.874 1
1 352 . 9 1 1 A 51 51 PRO CB C 51 32.210 33.220 -1.010 1
1 355 . 9 1 1 A 52 52 ARG H H 52 8.545 8.602 -0.057 1
1 356 . 9 1 1 A 52 52 ARG HA H 52 4.300 4.369 -0.069 1
1 363 . 9 1 1 A 52 52 ARG C C 52 176.985 176.434 0.551 1
1 364 . 9 1 1 A 52 52 ARG CA C 52 56.493 55.695 0.798 1
1 365 . 9 1 1 A 52 52 ARG CB C 52 30.944 30.109 0.835 1
1 368 . 9 1 1 A 52 52 ARG N N 52 122.009 119.550 2.459 1
1 369 . 9 1 1 A 53 53 GLY H H 53 8.504 8.034 0.470 1
1 370 . 9 1 1 A 53 53 GLY HA2 H 53 3.995 3.948 0.047 1
1 371 . 9 1 1 A 53 53 GLY HA3 H 53 3.934 3.948 -0.014 1
1 372 . 9 1 1 A 53 53 GLY C C 53 173.562 174.323 -0.761 1
1 373 . 9 1 1 A 53 53 GLY CA C 53 44.990 46.316 -1.326 1
1 374 . 9 1 1 A 53 53 GLY N N 53 110.270 107.970 2.300 1
1 375 . 9 1 1 A 54 54 GLU H H 54 8.216 7.921 0.295 1
1 376 . 9 1 1 A 54 54 GLU HA H 54 4.364 4.612 -0.248 1
1 381 . 9 1 1 A 54 54 GLU C C 54 177.145 175.578 1.567 1
1 382 . 9 1 1 A 54 54 GLU CA C 54 55.883 54.513 1.370 1
1 383 . 9 1 1 A 54 54 GLU CB C 54 30.696 30.321 0.375 1
1 385 . 9 1 1 A 54 54 GLU N N 54 119.939 118.562 1.377 1
1 386 . 9 1 1 A 55 55 SER H H 55 8.916 8.602 0.314 1
1 387 . 9 1 1 A 55 55 SER HA H 55 4.544 4.392 0.152 1
1 390 . 9 1 1 A 55 55 SER C C 55 174.434 174.307 0.127 1
1 391 . 9 1 1 A 55 55 SER CA C 55 58.592 60.169 -1.577 1
1 392 . 9 1 1 A 55 55 SER CB C 55 63.662 63.008 0.654 1
1 393 . 9 1 1 A 55 55 SER N N 55 118.742 115.881 2.861 1
1 394 . 9 1 1 A 56 56 LEU H H 56 8.598 7.902 0.696 1
1 395 . 9 1 1 A 56 56 LEU HA H 56 4.343 4.744 -0.401 1
1 405 . 9 1 1 A 56 56 LEU C C 56 176.024 176.309 -0.285 1
1 406 . 9 1 1 A 56 56 LEU CA C 56 54.782 53.128 1.654 1
1 407 . 9 1 1 A 56 56 LEU CB C 56 42.106 43.478 -1.372 1
1 411 . 9 1 1 A 56 56 LEU N N 56 125.386 126.126 -0.740 1
1 412 . 9 1 1 A 57 57 ASP H H 57 8.211 8.734 -0.523 1
1 413 . 9 1 1 A 57 57 ASP HA H 57 4.545 4.968 -0.423 1
1 416 . 9 1 1 A 57 57 ASP C C 57 176.869 174.758 2.111 1
1 417 . 9 1 1 A 57 57 ASP CA C 57 54.978 54.002 0.976 1
1 418 . 9 1 1 A 57 57 ASP CB C 57 41.477 42.127 -0.650 1
1 419 . 9 1 1 A 57 57 ASP N N 57 115.979 116.751 -0.772 1
1 420 . 9 1 1 A 58 58 GLU H H 58 7.469 7.709 -0.240 1
1 421 . 9 1 1 A 58 58 GLU HA H 58 4.717 4.674 0.043 1
1 426 . 9 1 1 A 58 58 GLU C C 58 174.081 175.200 -1.119 1
1 427 . 9 1 1 A 58 58 GLU CA C 58 54.280 54.999 -0.719 1
1 428 . 9 1 1 A 58 58 GLU CB C 58 32.995 31.686 1.309 1
1 430 . 9 1 1 A 58 58 GLU N N 58 118.912 117.848 1.064 1
1 431 . 9 1 1 A 59 59 CYS H H 59 9.364 8.712 0.652 1
1 432 . 9 1 1 A 59 59 CYS HA H 59 4.248 4.568 -0.320 1
1 435 . 9 1 1 A 59 59 CYS C C 59 178.266 176.305 1.961 1
1 436 . 9 1 1 A 59 59 CYS CA C 59 59.782 60.242 -0.460 1
1 437 . 9 1 1 A 59 59 CYS CB C 59 31.041 29.125 1.916 1
1 438 . 9 1 1 A 59 59 CYS N N 59 124.760 125.248 -0.488 1
1 439 . 9 1 1 A 60 60 GLU H H 60 9.202 8.749 0.453 1
1 440 . 9 1 1 A 60 60 GLU HA H 60 4.202 4.067 0.135 1
1 445 . 9 1 1 A 60 60 GLU C C 60 175.834 178.523 -2.689 1
1 446 . 9 1 1 A 60 60 GLU CA C 60 58.503 58.573 -0.070 1
1 447 . 9 1 1 A 60 60 GLU CB C 60 30.041 29.019 1.022 1
1 449 . 9 1 1 A 60 60 GLU N N 60 130.690 127.243 3.447 1
1 450 . 9 1 1 A 61 61 GLU H H 61 8.751 7.618 1.133 1
1 451 . 9 1 1 A 61 61 GLU HA H 61 4.542 4.228 0.314 1
1 456 . 9 1 1 A 61 61 GLU C C 61 177.312 178.346 -1.034 1
1 457 . 9 1 1 A 61 61 GLU CA C 61 58.094 58.687 -0.593 1
1 458 . 9 1 1 A 61 61 GLU CB C 61 31.037 30.556 0.481 1
1 460 . 9 1 1 A 61 61 GLU N N 61 120.904 118.474 2.430 1
1 461 . 9 1 1 A 62 62 CYS H H 62 8.401 7.830 0.571 1
1 462 . 9 1 1 A 62 62 CYS HA H 62 5.014 4.633 0.381 1
1 465 . 9 1 1 A 62 62 CYS C C 62 177.324 175.708 1.616 1
1 466 . 9 1 1 A 62 62 CYS CA C 62 59.127 58.581 0.546 1
1 467 . 9 1 1 A 62 62 CYS CB C 62 33.355 29.444 3.911 1
1 468 . 9 1 1 A 62 62 CYS N N 62 117.947 114.065 3.882 1
1 469 . 9 1 1 A 63 63 GLY H H 63 8.048 8.082 -0.034 1
1 470 . 9 1 1 A 63 63 GLY HA2 H 63 4.234 3.922 0.312 1
1 471 . 9 1 1 A 63 63 GLY HA3 H 63 3.820 3.929 -0.109 1
1 472 . 9 1 1 A 63 63 GLY C C 63 172.914 174.956 -2.042 1
1 473 . 9 1 1 A 63 63 GLY CA C 63 46.163 46.651 -0.488 1
1 474 . 9 1 1 A 63 63 GLY N N 63 113.407 111.434 1.973 1
1 475 . 9 1 1 A 64 64 ALA H H 64 9.148 8.039 1.109 1
1 476 . 9 1 1 A 64 64 ALA HA H 64 4.536 4.466 0.070 1
1 480 . 9 1 1 A 64 64 ALA CA C 64 51.510 50.587 0.923 1
1 481 . 9 1 1 A 64 64 ALA CB C 64 19.099 19.070 0.029 1
1 482 . 9 1 1 A 64 64 ALA N N 64 127.297 123.470 3.827 1
1 483 . 9 1 1 A 65 65 PRO HA H 65 4.583 4.444 0.139 1
1 490 . 9 1 1 A 65 65 PRO C C 65 177.423 176.804 0.619 1
1 491 . 9 1 1 A 65 65 PRO CA C 65 63.020 63.282 -0.262 1
1 492 . 9 1 1 A 65 65 PRO CB C 65 31.832 31.683 0.149 1
1 495 . 9 1 1 A 66 66 ILE H H 66 8.053 8.017 0.036 1
1 496 . 9 1 1 A 66 66 ILE HA H 66 4.330 4.302 0.028 1
1 506 . 9 1 1 A 66 66 ILE CA C 66 58.847 59.922 -1.075 1
1 507 . 9 1 1 A 66 66 ILE CB C 66 38.162 38.248 -0.086 1
1 511 . 9 1 1 A 66 66 ILE N N 66 125.090 124.093 0.997 1
1 512 . 9 1 1 A 67 67 PRO HA H 67 4.447 4.693 -0.246 1
1 519 . 9 1 1 A 67 67 PRO C C 67 177.325 177.791 -0.466 1
1 520 . 9 1 1 A 67 67 PRO CA C 67 62.883 62.538 0.345 1
1 521 . 9 1 1 A 67 67 PRO CB C 67 32.692 32.542 0.150 1
1 524 . 9 1 1 A 68 68 GLN H H 68 8.982 8.610 0.372 1
1 525 . 9 1 1 A 68 68 GLN HA H 68 3.791 3.976 -0.185 1
1 532 . 9 1 1 A 68 68 GLN C C 68 177.316 178.177 -0.861 1
1 533 . 9 1 1 A 68 68 GLN CA C 68 59.491 58.241 1.250 1
1 534 . 9 1 1 A 68 68 GLN CB C 68 27.882 28.090 -0.208 1
1 536 . 9 1 1 A 68 68 GLN N N 68 124.876 122.524 2.352 1
1 538 . 9 1 1 A 69 69 ALA H H 69 8.892 8.380 0.512 1
1 539 . 9 1 1 A 69 69 ALA HA H 69 4.100 3.990 0.110 1
1 543 . 9 1 1 A 69 69 ALA C C 69 180.347 179.699 0.648 1
1 544 . 9 1 1 A 69 69 ALA CA C 69 55.209 55.193 0.016 1
1 545 . 9 1 1 A 69 69 ALA CB C 69 18.097 18.281 -0.184 1
1 546 . 9 1 1 A 69 69 ALA N N 69 118.268 123.682 -5.414 1
1 547 . 9 1 1 A 70 70 ARG H H 70 7.020 7.674 -0.654 1
1 548 . 9 1 1 A 70 70 ARG HA H 70 4.234 4.086 0.148 1
1 555 . 9 1 1 A 70 70 ARG C C 70 176.438 178.739 -2.301 1
1 556 . 9 1 1 A 70 70 ARG CA C 70 58.791 59.163 -0.372 1
1 557 . 9 1 1 A 70 70 ARG CB C 70 29.544 29.776 -0.232 1
1 560 . 9 1 1 A 70 70 ARG N N 70 119.170 117.367 1.803 1
1 561 . 9 1 1 A 71 71 ARG H H 71 7.754 7.443 0.311 1
1 562 . 9 1 1 A 71 71 ARG HA H 71 3.807 4.152 -0.345 1
1 569 . 9 1 1 A 71 71 ARG C C 71 179.191 178.621 0.570 1
1 570 . 9 1 1 A 71 71 ARG CA C 71 59.782 59.561 0.221 1
1 571 . 9 1 1 A 71 71 ARG CB C 71 30.564 29.813 0.751 1
1 574 . 9 1 1 A 71 71 ARG N N 71 116.460 119.093 -2.633 1
1 575 . 9 1 1 A 72 72 GLU H H 72 8.062 7.879 0.183 1
1 576 . 9 1 1 A 72 72 GLU HA H 72 4.014 4.146 -0.132 1
1 581 . 9 1 1 A 72 72 GLU C C 72 177.357 178.755 -1.398 1
1 582 . 9 1 1 A 72 72 GLU CA C 72 57.860 58.683 -0.823 1
1 583 . 9 1 1 A 72 72 GLU CB C 72 29.978 29.517 0.461 1
1 585 . 9 1 1 A 72 72 GLU N N 72 114.904 118.453 -3.549 1
1 586 . 9 1 1 A 73 73 ALA H H 73 7.686 7.514 0.172 1
1 587 . 9 1 1 A 73 73 ALA HA H 73 4.199 4.163 0.036 1
1 591 . 9 1 1 A 73 73 ALA C C 73 178.246 177.599 0.647 1
1 592 . 9 1 1 A 73 73 ALA CA C 73 54.110 54.550 -0.440 1
1 593 . 9 1 1 A 73 73 ALA CB C 73 19.546 19.315 0.231 1
1 594 . 9 1 1 A 73 73 ALA N N 73 120.673 121.353 -0.680 1
1 595 . 9 1 1 A 74 74 ILE H H 74 7.609 7.911 -0.302 1
1 596 . 9 1 1 A 74 74 ILE HA H 74 4.318 4.452 -0.134 1
1 606 . 9 1 1 A 74 74 ILE CA C 74 57.722 57.669 0.053 1
1 607 . 9 1 1 A 74 74 ILE CB C 74 38.313 39.434 -1.121 1
1 611 . 9 1 1 A 74 74 ILE N N 74 117.475 117.919 -0.444 1
1 612 . 9 1 1 A 75 75 PRO HA H 75 4.267 4.515 -0.248 1
1 619 . 9 1 1 A 75 75 PRO C C 75 179.050 177.815 1.235 1
1 620 . 9 1 1 A 75 75 PRO CA C 75 63.966 62.647 1.319 1
1 621 . 9 1 1 A 75 75 PRO CB C 75 31.409 29.636 1.773 1
1 624 . 9 1 1 A 76 76 GLY H H 76 8.594 8.711 -0.117 1
1 625 . 9 1 1 A 76 76 GLY HA2 H 76 4.081 4.060 0.021 1
1 626 . 9 1 1 A 76 76 GLY HA3 H 76 3.402 4.060 -0.658 1
1 627 . 9 1 1 A 76 76 GLY C C 76 174.447 174.487 -0.040 1
1 628 . 9 1 1 A 76 76 GLY CA C 76 45.138 45.673 -0.535 1
1 629 . 9 1 1 A 76 76 GLY N N 76 113.042 112.954 0.088 1
1 630 . 9 1 1 A 77 77 VAL H H 77 8.185 7.564 0.621 1
1 631 . 9 1 1 A 77 77 VAL HA H 77 3.955 4.139 -0.184 1
1 639 . 9 1 1 A 77 77 VAL C C 77 173.122 175.334 -2.212 1
1 640 . 9 1 1 A 77 77 VAL CA C 77 63.160 62.149 1.011 1
1 641 . 9 1 1 A 77 77 VAL CB C 77 30.748 32.503 -1.755 1
1 644 . 9 1 1 A 77 77 VAL N N 77 124.214 120.003 4.211 1
1 645 . 9 1 1 A 78 78 ARG H H 78 8.635 8.990 -0.355 1
1 646 . 9 1 1 A 78 78 ARG HA H 78 4.547 4.707 -0.160 1
1 653 . 9 1 1 A 78 78 ARG C C 78 173.948 175.766 -1.818 1
1 654 . 9 1 1 A 78 78 ARG CA C 78 55.410 56.512 -1.102 1
1 655 . 9 1 1 A 78 78 ARG CB C 78 33.618 32.647 0.971 1
1 658 . 9 1 1 A 78 78 ARG N N 78 121.505 125.558 -4.053 1
1 659 . 9 1 1 A 79 79 LEU H H 79 7.037 7.715 -0.678 1
1 660 . 9 1 1 A 79 79 LEU HA H 79 6.078 4.826 1.252 1
1 670 . 9 1 1 A 79 79 LEU C C 79 178.615 176.304 2.311 1
1 671 . 9 1 1 A 79 79 LEU CA C 79 52.286 52.987 -0.701 1
1 672 . 9 1 1 A 79 79 LEU CB C 79 46.763 44.562 2.201 1
1 676 . 9 1 1 A 79 79 LEU N N 79 116.511 119.498 -2.987 1
1 677 . 9 1 1 A 80 80 CYS H H 80 9.639 8.433 1.206 1
1 678 . 9 1 1 A 80 80 CYS HA H 80 4.595 4.572 0.023 1
1 681 . 9 1 1 A 80 80 CYS C C 80 174.898 175.438 -0.540 1
1 682 . 9 1 1 A 80 80 CYS CA C 80 57.983 58.584 -0.601 1
1 683 . 9 1 1 A 80 80 CYS CB C 80 31.306 29.364 1.942 1
1 684 . 9 1 1 A 80 80 CYS N N 80 121.517 121.801 -0.284 1
1 685 . 9 1 1 A 81 81 ILE H H 81 9.215 8.555 0.660 1
1 686 . 9 1 1 A 81 81 ILE HA H 81 3.836 3.868 -0.032 1
1 696 . 9 1 1 A 81 81 ILE C C 81 176.081 177.356 -1.275 1
1 697 . 9 1 1 A 81 81 ILE CA C 81 63.715 64.153 -0.438 1
1 698 . 9 1 1 A 81 81 ILE CB C 81 38.309 37.786 0.523 1
1 702 . 9 1 1 A 81 81 ILE N N 81 119.426 123.160 -3.734 1
1 703 . 9 1 1 A 82 82 HIS H H 82 7.439 7.674 -0.235 1
1 704 . 9 1 1 A 82 82 HIS HA H 82 4.354 4.382 -0.028 1
1 709 . 9 1 1 A 82 82 HIS C C 82 178.603 177.820 0.783 1
1 710 . 9 1 1 A 82 82 HIS CA C 82 59.802 59.252 0.550 1
1 711 . 9 1 1 A 82 82 HIS CB C 82 30.164 30.555 -0.391 1
1 714 . 9 1 1 A 82 82 HIS N N 82 122.605 118.971 3.634 1
1 715 . 9 1 1 A 83 83 CYS H H 83 8.960 8.227 0.733 1
1 716 . 9 1 1 A 83 83 CYS HA H 83 3.995 4.540 -0.545 1
1 719 . 9 1 1 A 83 83 CYS C C 83 178.676 177.239 1.437 1
1 720 . 9 1 1 A 83 83 CYS CA C 83 64.648 61.489 3.159 1
1 721 . 9 1 1 A 83 83 CYS CB C 83 29.618 26.886 2.732 1
1 722 . 9 1 1 A 83 83 CYS N N 83 124.742 117.994 6.748 1
1 723 . 9 1 1 A 84 84 GLN H H 84 8.525 8.216 0.309 1
1 724 . 9 1 1 A 84 84 GLN HA H 84 3.812 4.052 -0.240 1
1 731 . 9 1 1 A 84 84 GLN C C 84 177.478 178.129 -0.651 1
1 732 . 9 1 1 A 84 84 GLN CA C 84 58.750 58.977 -0.227 1
1 733 . 9 1 1 A 84 84 GLN CB C 84 28.372 28.675 -0.303 1
1 735 . 9 1 1 A 84 84 GLN N N 84 120.642 121.379 -0.737 1
1 737 . 9 1 1 A 85 85 GLN H H 85 8.100 7.986 0.114 1
1 738 . 9 1 1 A 85 85 GLN HA H 85 4.117 4.067 0.050 1
1 745 . 9 1 1 A 85 85 GLN C C 85 178.483 177.918 0.565 1
1 746 . 9 1 1 A 85 85 GLN CA C 85 58.857 58.632 0.225 1
1 747 . 9 1 1 A 85 85 GLN CB C 85 28.261 28.683 -0.422 1
1 749 . 9 1 1 A 85 85 GLN N N 85 118.154 117.606 0.548 1
1 751 . 9 1 1 A 86 86 GLU H H 86 7.657 8.419 -0.762 1
1 752 . 9 1 1 A 86 86 GLU HA H 86 4.049 4.069 -0.020 1
1 757 . 9 1 1 A 86 86 GLU C C 86 178.798 178.520 0.278 1
1 758 . 9 1 1 A 86 86 GLU CA C 86 58.852 59.361 -0.509 1
1 759 . 9 1 1 A 86 86 GLU CB C 86 29.716 29.272 0.444 1
1 761 . 9 1 1 A 86 86 GLU N N 86 118.055 118.795 -0.740 1
1 762 . 9 1 1 A 87 87 LYS H H 87 7.799 8.026 -0.227 1
1 763 . 9 1 1 A 87 87 LYS HA H 87 4.056 4.147 -0.091 1
1 772 . 9 1 1 A 87 87 LYS C C 87 179.025 179.253 -0.228 1
1 773 . 9 1 1 A 87 87 LYS CA C 87 58.452 58.841 -0.389 1
1 774 . 9 1 1 A 87 87 LYS CB C 87 32.067 32.072 -0.005 1
1 778 . 9 1 1 A 87 87 LYS N N 87 119.741 119.822 -0.081 1
1 779 . 9 1 1 A 88 88 ASP H H 88 8.300 8.288 0.012 1
1 780 . 9 1 1 A 88 88 ASP HA H 88 4.461 4.455 0.006 1
1 783 . 9 1 1 A 88 88 ASP C C 88 177.597 178.552 -0.955 1
1 784 . 9 1 1 A 88 88 ASP CA C 88 56.228 57.036 -0.808 1
1 785 . 9 1 1 A 88 88 ASP CB C 88 40.500 41.095 -0.595 1
1 786 . 9 1 1 A 88 88 ASP N N 88 119.700 120.063 -0.363 1
1 787 . 9 1 1 A 89 89 LEU H H 89 7.672 7.882 -0.210 1
1 788 . 9 1 1 A 89 89 LEU HA H 89 4.227 4.001 0.226 1
1 798 . 9 1 1 A 89 89 LEU C C 89 177.757 178.779 -1.022 1
1 799 . 9 1 1 A 89 89 LEU CA C 89 55.938 57.868 -1.930 1
1 800 . 9 1 1 A 89 89 LEU CB C 89 42.267 41.083 1.184 1
1 804 . 9 1 1 A 89 89 LEU N N 89 119.729 119.436 0.293 1
1 805 . 9 1 1 A 90 90 GLN H H 90 7.823 7.608 0.215 1
1 806 . 9 1 1 A 90 90 GLN HA H 90 4.264 4.379 -0.115 1
1 813 . 9 1 1 A 90 90 GLN C C 90 175.896 176.602 -0.706 1
1 814 . 9 1 1 A 90 90 GLN CA C 90 55.828 56.567 -0.739 1
1 815 . 9 1 1 A 90 90 GLN CB C 90 28.871 29.310 -0.439 1
1 817 . 9 1 1 A 90 90 GLN N N 90 118.133 115.804 2.329 1
1 819 . 9 1 1 A 91 91 LYS H H 91 8.016 7.342 0.674 1
1 820 . 9 1 1 A 91 91 LYS HA H 91 4.561 4.428 0.133 1
1 829 . 9 1 1 A 91 91 LYS CA C 91 54.567 55.018 -0.451 1
1 830 . 9 1 1 A 91 91 LYS CB C 91 32.373 32.042 0.331 1
1 834 . 9 1 1 A 91 91 LYS N N 91 122.571 120.263 2.308 1
1 835 . 9 1 1 A 92 92 PRO HA H 92 4.372 4.455 -0.083 1
1 842 . 9 1 1 A 92 92 PRO C C 92 176.665 177.436 -0.771 1
1 843 . 9 1 1 A 92 92 PRO CA C 92 63.251 66.103 -2.852 1
1 844 . 9 1 1 A 92 92 PRO CB C 92 32.073 31.630 0.443 1
1 847 . 9 1 1 A 93 93 ALA H H 93 8.364 8.018 0.346 1
1 848 . 9 1 1 A 93 93 ALA HA H 93 4.245 4.008 0.237 1
1 852 . 9 1 1 A 93 93 ALA C C 93 177.504 175.671 1.833 1
1 853 . 9 1 1 A 93 93 ALA CA C 93 52.458 53.608 -1.150 1
1 854 . 9 1 1 A 93 93 ALA CB C 93 19.247 18.040 1.207 1
1 855 . 9 1 1 A 93 93 ALA N N 93 123.718 119.024 4.694 1
1 856 . 9 1 1 A 94 94 TYR H H 94 8.153 7.462 0.691 1
1 857 . 9 1 1 A 94 94 TYR HA H 94 4.626 5.202 -0.576 1
1 864 . 9 1 1 A 94 94 TYR C C 94 176.141 174.063 2.078 1
1 865 . 9 1 1 A 94 94 TYR CA C 94 57.859 55.970 1.889 1
1 866 . 9 1 1 A 94 94 TYR CB C 94 38.793 41.138 -2.345 1
1 871 . 9 1 1 A 94 94 TYR N N 94 119.293 112.656 6.637 1
1 872 . 9 1 1 A 95 95 THR H H 95 8.119 8.787 -0.668 1
1 873 . 9 1 1 A 95 95 THR HA H 95 4.286 4.817 -0.531 1
1 878 . 9 1 1 A 95 95 THR C C 95 174.813 173.639 1.174 1
1 879 . 9 1 1 A 95 95 THR CA C 95 61.758 60.279 1.479 1
1 880 . 9 1 1 A 95 95 THR CB C 95 69.860 69.364 0.496 1
1 882 . 9 1 1 A 95 95 THR N N 95 115.890 114.023 1.867 1
1 883 . 9 1 1 A 96 96 GLY H H 96 7.669 8.884 -1.215 1
1 884 . 9 1 1 A 96 96 GLY HA2 H 96 3.875 3.978 -0.103 1
1 885 . 9 1 1 A 96 96 GLY HA3 H 96 3.822 4.192 -0.370 1
1 886 . 9 1 1 A 96 96 GLY C C 96 173.774 173.672 0.102 1
1 887 . 9 1 1 A 96 96 GLY CA C 96 45.320 46.164 -0.844 1
1 888 . 9 1 1 A 96 96 GLY N N 96 110.133 113.268 -3.135 1
1 889 . 9 1 1 A 97 97 TYR H H 97 8.028 7.260 0.768 1
1 890 . 9 1 1 A 97 97 TYR HA H 97 4.510 5.287 -0.777 1
1 897 . 9 1 1 A 97 97 TYR CA C 97 58.115 55.235 2.880 1
1 898 . 9 1 1 A 97 97 TYR CB C 97 38.769 41.803 -3.034 1
1 903 . 9 1 1 A 97 97 TYR N N 97 119.945 118.462 1.483 1
1 904 . 9 1 1 A 98 98 ASN HA H 98 4.641 4.607 0.034 1
1 909 . 9 1 1 A 98 98 ASN C C 98 174.882 175.904 -1.022 1
1 910 . 9 1 1 A 98 98 ASN CA C 98 53.067 55.290 -2.223 1
1 911 . 9 1 1 A 98 98 ASN CB C 98 38.835 38.316 0.519 1
1 913 . 9 1 1 A 99 99 ARG H H 99 8.226 7.896 0.330 1
1 914 . 9 1 1 A 99 99 ARG HA H 99 4.259 4.502 -0.243 1
1 921 . 9 1 1 A 99 99 ARG C C 99 176.406 175.065 1.341 1
1 922 . 9 1 1 A 99 99 ARG CA C 99 56.464 55.434 1.030 1
1 923 . 9 1 1 A 99 99 ARG CB C 99 30.588 29.254 1.334 1
1 926 . 9 1 1 A 99 99 ARG N N 99 121.620 118.346 3.274 1
1 927 . 9 1 1 A 100 100 ARG H H 100 8.398 8.267 0.131 1
1 928 . 9 1 1 A 100 100 ARG N N 100 121.935 124.847 -2.912 1
1 929 . 9 1 1 A 101 101 GLY HA2 H 101 3.835 4.127 -0.292 1
1 930 . 9 1 1 A 101 101 GLY HA3 H 101 3.835 4.131 -0.296 1
1 931 . 9 1 1 A 101 101 GLY CA C 101 43.935 45.253 -1.318 1
1 932 . 9 1 1 A 102 102 SER HA H 102 4.460 4.651 -0.191 1
1 935 . 9 1 1 A 102 102 SER CA C 102 58.458 57.636 0.822 1
1 936 . 9 1 1 A 102 102 SER CB C 102 64.128 62.313 1.815 1
1 937 . 9 1 1 A 103 103 LYS H H 103 8.524 8.261 0.263 1
1 938 . 9 1 1 A 103 103 LYS HA H 103 4.305 4.702 -0.397 1
1 947 . 9 1 1 A 103 103 LYS CA C 103 56.788 55.107 1.681 1
1 948 . 9 1 1 A 103 103 LYS CB C 103 32.766 34.121 -1.355 1
1 952 . 9 1 1 A 103 103 LYS N N 103 123.092 126.117 -3.025 1
1 953 . 9 1 1 A 104 104 ASP H H 104 8.316 8.822 -0.506 1
1 954 . 9 1 1 A 104 104 ASP HA H 104 4.612 4.661 -0.049 1
1 957 . 9 1 1 A 104 104 ASP C C 104 176.493 175.990 0.503 1
1 958 . 9 1 1 A 104 104 ASP CA C 104 54.704 54.332 0.372 1
1 959 . 9 1 1 A 104 104 ASP CB C 104 41.277 39.766 1.511 1
1 960 . 9 1 1 A 104 104 ASP N N 104 120.807 126.240 -5.433 1
1 961 . 9 1 1 A 105 105 SER H H 105 8.215 8.588 -0.373 1
1 962 . 9 1 1 A 105 105 SER HA H 105 4.390 4.630 -0.240 1
1 965 . 9 1 1 A 105 105 SER C C 105 174.659 173.614 1.045 1
1 966 . 9 1 1 A 105 105 SER CA C 105 58.889 58.114 0.775 1
1 967 . 9 1 1 A 105 105 SER CB C 105 63.781 63.087 0.694 1
1 968 . 9 1 1 A 105 105 SER N N 105 116.100 120.757 -4.657 1
1 969 . 9 1 1 A 106 106 GLN H H 106 8.396 7.520 0.876 1
1 970 . 9 1 1 A 106 106 GLN HA H 106 4.344 4.946 -0.602 1
1 977 . 9 1 1 A 106 106 GLN C C 106 175.746 175.975 -0.229 1
1 978 . 9 1 1 A 106 106 GLN CA C 106 55.981 54.678 1.303 1
1 979 . 9 1 1 A 106 106 GLN CB C 106 29.351 32.964 -3.613 1
1 981 . 9 1 1 A 106 106 GLN N N 106 121.640 121.239 0.401 1
1 983 . 9 1 1 A 107 107 LEU H H 107 8.172 8.641 -0.469 1
1 984 . 9 1 1 A 107 107 LEU HA H 107 4.348 4.268 0.080 1
1 994 . 9 1 1 A 107 107 LEU C C 107 176.328 176.431 -0.103 1
1 995 . 9 1 1 A 107 107 LEU CA C 107 55.385 54.712 0.673 1
1 996 . 9 1 1 A 107 107 LEU CB C 107 42.163 40.948 1.215 1
1 1000 . 9 1 1 A 107 107 LEU N N 107 123.200 119.795 3.405 1
1 12 . 10 1 1 A 22 22 ALA H H 22 8.289 8.582 -0.293 1
1 13 . 10 1 1 A 22 22 ALA HA H 22 4.277 4.064 0.213 1
1 17 . 10 1 1 A 22 22 ALA C C 22 177.730 176.134 1.596 1
1 18 . 10 1 1 A 22 22 ALA CA C 22 52.742 51.430 1.312 1
1 19 . 10 1 1 A 22 22 ALA CB C 22 19.263 17.926 1.337 1
1 20 . 10 1 1 A 22 22 ALA N N 22 125.042 130.078 -5.036 1
1 21 . 10 1 1 A 23 23 SER H H 23 8.253 8.074 0.179 1
1 22 . 10 1 1 A 23 23 SER HA H 23 4.374 5.106 -0.732 1
1 25 . 10 1 1 A 23 23 SER C C 23 175.066 173.857 1.209 1
1 26 . 10 1 1 A 23 23 SER CA C 23 58.670 57.090 1.580 1
1 27 . 10 1 1 A 23 23 SER CB C 23 63.822 66.074 -2.252 1
1 28 . 10 1 1 A 23 23 SER N N 23 114.713 116.188 -1.475 1
1 29 . 10 1 1 A 24 24 GLY H H 24 8.368 8.902 -0.534 1
1 30 . 10 1 1 A 24 24 GLY HA2 H 24 3.945 4.008 -0.063 1
1 31 . 10 1 1 A 24 24 GLY HA3 H 24 3.886 4.020 -0.134 1
1 32 . 10 1 1 A 24 24 GLY C C 24 173.906 174.946 -1.040 1
1 33 . 10 1 1 A 24 24 GLY CA C 24 45.410 46.370 -0.960 1
1 34 . 10 1 1 A 24 24 GLY N N 24 110.595 112.060 -1.465 1
1 35 . 10 1 1 A 25 25 TRP H H 25 7.961 7.662 0.299 1
1 36 . 10 1 1 A 25 25 TRP HA H 25 4.632 4.961 -0.329 1
1 45 . 10 1 1 A 25 25 TRP C C 25 175.880 177.226 -1.346 1
1 46 . 10 1 1 A 25 25 TRP CA C 25 57.289 56.339 0.950 1
1 47 . 10 1 1 A 25 25 TRP CB C 25 29.725 31.570 -1.845 1
1 53 . 10 1 1 A 25 25 TRP N N 25 120.881 117.622 3.259 1
1 55 . 10 1 1 A 26 26 ALA H H 26 8.129 7.065 1.064 1
1 56 . 10 1 1 A 26 26 ALA HA H 26 4.222 4.167 0.055 1
1 60 . 10 1 1 A 26 26 ALA C C 26 176.977 176.615 0.362 1
1 61 . 10 1 1 A 26 26 ALA CA C 26 52.345 52.661 -0.316 1
1 62 . 10 1 1 A 26 26 ALA CB C 26 19.414 20.487 -1.073 1
1 63 . 10 1 1 A 26 26 ALA N N 26 125.541 120.840 4.701 1
1 64 . 10 1 1 A 27 27 ASN H H 27 8.139 7.477 0.662 1
1 65 . 10 1 1 A 27 27 ASN HA H 27 4.581 4.746 -0.165 1
1 70 . 10 1 1 A 27 27 ASN C C 27 175.044 173.270 1.774 1
1 71 . 10 1 1 A 27 27 ASN CA C 27 53.260 52.476 0.784 1
1 72 . 10 1 1 A 27 27 ASN CB C 27 39.022 36.757 2.265 1
1 73 . 10 1 1 A 27 27 ASN N N 27 117.794 116.151 1.643 1
1 75 . 10 1 1 A 28 28 ASP H H 28 8.286 7.779 0.507 1
1 76 . 10 1 1 A 28 28 ASP HA H 28 4.581 5.071 -0.490 1
1 79 . 10 1 1 A 28 28 ASP C C 28 176.163 175.875 0.288 1
1 80 . 10 1 1 A 28 28 ASP CA C 28 54.629 52.995 1.634 1
1 81 . 10 1 1 A 28 28 ASP CB C 28 41.129 44.871 -3.742 1
1 82 . 10 1 1 A 28 28 ASP N N 28 120.788 121.876 -1.088 1
1 83 . 10 1 1 A 29 29 ASP H H 29 8.287 8.832 -0.545 1
1 84 . 10 1 1 A 29 29 ASP HA H 29 4.546 4.238 0.308 1
1 87 . 10 1 1 A 29 29 ASP C C 29 176.359 177.455 -1.096 1
1 88 . 10 1 1 A 29 29 ASP CA C 29 54.883 57.355 -2.472 1
1 89 . 10 1 1 A 29 29 ASP CB C 29 41.050 40.604 0.446 1
1 90 . 10 1 1 A 29 29 ASP N N 29 120.641 123.340 -2.699 1
1 91 . 10 1 1 A 30 30 ALA H H 30 8.141 7.643 0.498 1
1 92 . 10 1 1 A 30 30 ALA HA H 30 4.278 4.302 -0.024 1
1 96 . 10 1 1 A 30 30 ALA C C 30 178.218 178.138 0.080 1
1 97 . 10 1 1 A 30 30 ALA CA C 30 53.006 54.183 -1.177 1
1 98 . 10 1 1 A 30 30 ALA CB C 30 19.115 18.263 0.852 1
1 99 . 10 1 1 A 30 30 ALA N N 30 123.561 120.605 2.956 1
1 100 . 10 1 1 A 31 31 VAL H H 31 7.996 7.240 0.756 1
1 101 . 10 1 1 A 31 31 VAL HA H 31 4.010 4.077 -0.067 1
1 109 . 10 1 1 A 31 31 VAL C C 31 175.417 177.363 -1.946 1
1 110 . 10 1 1 A 31 31 VAL CA C 31 62.896 64.046 -1.150 1
1 111 . 10 1 1 A 31 31 VAL CB C 31 32.567 32.623 -0.056 1
1 114 . 10 1 1 A 31 31 VAL N N 31 118.676 115.846 2.830 1
1 115 . 10 1 1 A 32 32 ASN H H 32 8.364 8.081 0.283 1
1 116 . 10 1 1 A 32 32 ASN HA H 32 4.694 4.450 0.244 1
1 121 . 10 1 1 A 32 32 ASN C C 32 174.659 177.283 -2.624 1
1 122 . 10 1 1 A 32 32 ASN CA C 32 53.547 55.832 -2.285 1
1 123 . 10 1 1 A 32 32 ASN CB C 32 38.939 38.478 0.461 1
1 124 . 10 1 1 A 32 32 ASN N N 32 121.518 119.239 2.279 1
1 126 . 10 1 1 A 33 33 GLU H H 33 8.380 8.214 0.166 1
1 127 . 10 1 1 A 33 33 GLU HA H 33 4.240 4.011 0.229 1
1 132 . 10 1 1 A 33 33 GLU C C 33 176.641 178.849 -2.208 1
1 133 . 10 1 1 A 33 33 GLU CA C 33 57.074 59.152 -2.078 1
1 134 . 10 1 1 A 33 33 GLU CB C 33 30.212 28.938 1.274 1
1 136 . 10 1 1 A 33 33 GLU N N 33 121.497 117.525 3.972 1
1 137 . 10 1 1 A 34 34 GLN H H 34 8.333 7.875 0.458 1
1 138 . 10 1 1 A 34 34 GLN HA H 34 4.315 4.034 0.281 1
1 145 . 10 1 1 A 34 34 GLN C C 34 176.325 178.414 -2.089 1
1 146 . 10 1 1 A 34 34 GLN CA C 34 56.232 58.602 -2.370 1
1 147 . 10 1 1 A 34 34 GLN CB C 34 29.304 28.491 0.813 1
1 149 . 10 1 1 A 34 34 GLN N N 34 120.891 119.454 1.437 1
1 151 . 10 1 1 A 35 35 ILE H H 35 8.155 7.888 0.267 1
1 152 . 10 1 1 A 35 35 ILE HA H 35 4.116 3.908 0.208 1
1 162 . 10 1 1 A 35 35 ILE C C 35 176.203 176.949 -0.746 1
1 163 . 10 1 1 A 35 35 ILE CA C 35 61.645 64.198 -2.553 1
1 164 . 10 1 1 A 35 35 ILE CB C 35 38.640 37.553 1.087 1
1 168 . 10 1 1 A 35 35 ILE N N 35 121.784 119.514 2.270 1
1 169 . 10 1 1 A 36 36 ASN H H 36 8.504 7.709 0.795 1
1 170 . 10 1 1 A 36 36 ASN HA H 36 4.760 4.682 0.078 1
1 175 . 10 1 1 A 36 36 ASN C C 36 175.468 175.917 -0.449 1
1 176 . 10 1 1 A 36 36 ASN CA C 36 53.504 52.845 0.659 1
1 177 . 10 1 1 A 36 36 ASN CB C 36 38.947 38.715 0.232 1
1 178 . 10 1 1 A 36 36 ASN N N 36 122.204 120.474 1.730 1
1 180 . 10 1 1 A 37 37 SER H H 37 8.380 8.733 -0.353 1
1 181 . 10 1 1 A 37 37 SER HA H 37 4.505 4.488 0.017 1
1 184 . 10 1 1 A 37 37 SER C C 37 174.990 176.175 -1.185 1
1 185 . 10 1 1 A 37 37 SER CA C 37 58.963 59.009 -0.046 1
1 186 . 10 1 1 A 37 37 SER CB C 37 63.760 63.792 -0.032 1
1 187 . 10 1 1 A 37 37 SER N N 37 116.788 119.821 -3.033 1
1 188 . 10 1 1 A 38 38 THR H H 38 8.302 7.397 0.905 1
1 189 . 10 1 1 A 38 38 THR HA H 38 4.369 3.916 0.453 1
1 194 . 10 1 1 A 38 38 THR C C 38 175.437 176.727 -1.290 1
1 195 . 10 1 1 A 38 38 THR CA C 38 62.751 66.952 -4.201 1
1 196 . 10 1 1 A 38 38 THR CB C 38 69.838 68.436 1.402 1
1 198 . 10 1 1 A 38 38 THR N N 38 116.285 116.254 0.031 1
1 199 . 10 1 1 A 39 39 ILE H H 39 8.153 8.035 0.118 1
1 200 . 10 1 1 A 39 39 ILE HA H 39 4.080 3.562 0.518 1
1 210 . 10 1 1 A 39 39 ILE C C 39 176.850 177.947 -1.097 1
1 211 . 10 1 1 A 39 39 ILE CA C 39 62.295 65.607 -3.312 1
1 212 . 10 1 1 A 39 39 ILE CB C 39 38.373 37.892 0.481 1
1 216 . 10 1 1 A 39 39 ILE N N 39 123.148 121.555 1.593 1
1 217 . 10 1 1 A 40 40 GLU H H 40 8.438 8.436 0.002 1
1 218 . 10 1 1 A 40 40 GLU HA H 40 4.146 4.145 0.001 1
1 223 . 10 1 1 A 40 40 GLU C C 40 177.573 178.323 -0.750 1
1 224 . 10 1 1 A 40 40 GLU CA C 40 58.026 58.381 -0.355 1
1 225 . 10 1 1 A 40 40 GLU CB C 40 29.870 28.971 0.899 1
1 227 . 10 1 1 A 40 40 GLU N N 40 123.184 120.362 2.822 1
1 228 . 10 1 1 A 41 41 ASP H H 41 8.295 8.283 0.012 1
1 229 . 10 1 1 A 41 41 ASP HA H 41 4.512 4.328 0.184 1
1 232 . 10 1 1 A 41 41 ASP C C 41 176.856 178.385 -1.529 1
1 233 . 10 1 1 A 41 41 ASP CA C 41 55.563 57.033 -1.470 1
1 234 . 10 1 1 A 41 41 ASP CB C 41 41.080 40.425 0.655 1
1 235 . 10 1 1 A 41 41 ASP N N 41 121.311 120.432 0.879 1
1 236 . 10 1 1 A 42 42 ALA H H 42 8.098 7.486 0.612 1
1 237 . 10 1 1 A 42 42 ALA HA H 42 4.153 4.101 0.052 1
1 241 . 10 1 1 A 42 42 ALA C C 42 179.658 180.598 -0.940 1
1 242 . 10 1 1 A 42 42 ALA CA C 42 54.315 55.168 -0.853 1
1 243 . 10 1 1 A 42 42 ALA CB C 42 18.765 17.835 0.930 1
1 244 . 10 1 1 A 42 42 ALA N N 42 123.411 121.960 1.451 1
1 245 . 10 1 1 A 43 43 ILE H H 43 8.047 7.441 0.606 1
1 246 . 10 1 1 A 43 43 ILE HA H 43 3.904 3.720 0.184 1
1 256 . 10 1 1 A 43 43 ILE C C 43 176.603 178.211 -1.608 1
1 257 . 10 1 1 A 43 43 ILE CA C 43 63.028 65.013 -1.985 1
1 258 . 10 1 1 A 43 43 ILE CB C 43 38.140 37.414 0.726 1
1 262 . 10 1 1 A 43 43 ILE N N 43 119.853 118.377 1.476 1
1 263 . 10 1 1 A 44 44 ALA H H 44 8.072 7.871 0.201 1
1 264 . 10 1 1 A 44 44 ALA HA H 44 4.162 4.072 0.090 1
1 268 . 10 1 1 A 44 44 ALA C C 44 179.414 179.743 -0.329 1
1 269 . 10 1 1 A 44 44 ALA CA C 44 54.011 55.170 -1.159 1
1 270 . 10 1 1 A 44 44 ALA CB C 44 18.614 18.012 0.602 1
1 271 . 10 1 1 A 44 44 ALA N N 44 124.814 122.336 2.478 1
1 272 . 10 1 1 A 45 45 ARG H H 45 8.177 8.062 0.115 1
1 273 . 10 1 1 A 45 45 ARG HA H 45 4.187 4.132 0.055 1
1 280 . 10 1 1 A 45 45 ARG C C 45 177.629 178.480 -0.851 1
1 281 . 10 1 1 A 45 45 ARG CA C 45 57.569 58.350 -0.781 1
1 282 . 10 1 1 A 45 45 ARG CB C 45 30.600 29.601 0.999 1
1 285 . 10 1 1 A 45 45 ARG N N 45 118.718 116.886 1.832 1
1 286 . 10 1 1 A 46 46 ALA H H 46 8.004 7.733 0.271 1
1 287 . 10 1 1 A 46 46 ALA HA H 46 4.274 4.161 0.113 1
1 291 . 10 1 1 A 46 46 ALA C C 46 178.519 178.238 0.281 1
1 292 . 10 1 1 A 46 46 ALA CA C 46 53.339 54.932 -1.593 1
1 293 . 10 1 1 A 46 46 ALA CB C 46 18.827 19.265 -0.438 1
1 294 . 10 1 1 A 46 46 ALA N N 46 123.416 122.164 1.252 1
1 295 . 10 1 1 A 47 47 ARG H H 47 8.082 7.382 0.700 1
1 296 . 10 1 1 A 47 47 ARG HA H 47 4.285 4.496 -0.211 1
1 303 . 10 1 1 A 47 47 ARG C C 47 177.103 176.492 0.611 1
1 304 . 10 1 1 A 47 47 ARG CA C 47 56.871 55.081 1.790 1
1 305 . 10 1 1 A 47 47 ARG CB C 47 30.655 31.985 -1.330 1
1 308 . 10 1 1 A 47 47 ARG N N 47 118.672 113.739 4.933 1
1 309 . 10 1 1 A 48 48 GLY H H 48 8.160 8.030 0.130 1
1 310 . 10 1 1 A 48 48 GLY HA2 H 48 3.976 3.917 0.059 1
1 311 . 10 1 1 A 48 48 GLY HA3 H 48 3.976 3.917 0.059 1
1 312 . 10 1 1 A 48 48 GLY C C 48 174.015 174.773 -0.758 1
1 313 . 10 1 1 A 48 48 GLY CA C 48 45.337 46.559 -1.222 1
1 314 . 10 1 1 A 48 48 GLY N N 48 108.533 109.670 -1.137 1
1 315 . 10 1 1 A 49 49 GLU H H 49 8.113 8.080 0.033 1
1 316 . 10 1 1 A 49 49 GLU HA H 49 4.317 4.279 0.038 1
1 321 . 10 1 1 A 49 49 GLU C C 49 176.216 176.629 -0.413 1
1 322 . 10 1 1 A 49 49 GLU CA C 49 56.125 58.527 -2.402 1
1 323 . 10 1 1 A 49 49 GLU CB C 49 30.497 30.525 -0.028 1
1 325 . 10 1 1 A 49 49 GLU N N 49 120.272 120.365 -0.093 1
1 326 . 10 1 1 A 50 50 ILE H H 50 8.203 7.936 0.267 1
1 327 . 10 1 1 A 50 50 ILE HA H 50 4.419 4.248 0.171 1
1 337 . 10 1 1 A 50 50 ILE CA C 50 58.687 59.353 -0.666 1
1 338 . 10 1 1 A 50 50 ILE CB C 50 38.623 38.149 0.474 1
1 342 . 10 1 1 A 50 50 ILE N N 50 123.785 119.594 4.191 1
1 343 . 10 1 1 A 51 51 PRO HA H 51 4.414 4.685 -0.271 1
1 350 . 10 1 1 A 51 51 PRO C C 51 176.785 176.418 0.367 1
1 351 . 10 1 1 A 51 51 PRO CA C 51 63.188 62.322 0.866 1
1 352 . 10 1 1 A 51 51 PRO CB C 51 32.210 33.111 -0.901 1
1 355 . 10 1 1 A 52 52 ARG H H 52 8.545 8.637 -0.092 1
1 356 . 10 1 1 A 52 52 ARG HA H 52 4.300 4.284 0.016 1
1 363 . 10 1 1 A 52 52 ARG C C 52 176.985 176.627 0.358 1
1 364 . 10 1 1 A 52 52 ARG CA C 52 56.493 56.387 0.106 1
1 365 . 10 1 1 A 52 52 ARG CB C 52 30.944 30.475 0.469 1
1 368 . 10 1 1 A 52 52 ARG N N 52 122.009 119.564 2.445 1
1 369 . 10 1 1 A 53 53 GLY H H 53 8.504 8.091 0.413 1
1 370 . 10 1 1 A 53 53 GLY HA2 H 53 3.995 3.896 0.099 1
1 371 . 10 1 1 A 53 53 GLY HA3 H 53 3.934 3.897 0.037 1
1 372 . 10 1 1 A 53 53 GLY C C 53 173.562 173.881 -0.319 1
1 373 . 10 1 1 A 53 53 GLY CA C 53 44.990 45.660 -0.670 1
1 374 . 10 1 1 A 53 53 GLY N N 53 110.270 108.840 1.430 1
1 375 . 10 1 1 A 54 54 GLU H H 54 8.216 7.882 0.334 1
1 376 . 10 1 1 A 54 54 GLU HA H 54 4.364 4.695 -0.331 1
1 381 . 10 1 1 A 54 54 GLU C C 54 177.145 175.953 1.192 1
1 382 . 10 1 1 A 54 54 GLU CA C 54 55.883 55.110 0.773 1
1 383 . 10 1 1 A 54 54 GLU CB C 54 30.696 32.015 -1.319 1
1 385 . 10 1 1 A 54 54 GLU N N 54 119.939 120.577 -0.638 1
1 386 . 10 1 1 A 55 55 SER H H 55 8.916 8.658 0.258 1
1 387 . 10 1 1 A 55 55 SER HA H 55 4.544 4.399 0.145 1
1 390 . 10 1 1 A 55 55 SER C C 55 174.434 174.444 -0.010 1
1 391 . 10 1 1 A 55 55 SER CA C 55 58.592 59.614 -1.022 1
1 392 . 10 1 1 A 55 55 SER CB C 55 63.662 62.628 1.034 1
1 393 . 10 1 1 A 55 55 SER N N 55 118.742 117.958 0.784 1
1 394 . 10 1 1 A 56 56 LEU H H 56 8.598 7.889 0.709 1
1 395 . 10 1 1 A 56 56 LEU HA H 56 4.343 4.580 -0.237 1
1 405 . 10 1 1 A 56 56 LEU C C 56 176.024 176.162 -0.138 1
1 406 . 10 1 1 A 56 56 LEU CA C 56 54.782 53.572 1.210 1
1 407 . 10 1 1 A 56 56 LEU CB C 56 42.106 43.973 -1.867 1
1 411 . 10 1 1 A 56 56 LEU N N 56 125.386 125.454 -0.068 1
1 412 . 10 1 1 A 57 57 ASP H H 57 8.211 9.024 -0.813 1
1 413 . 10 1 1 A 57 57 ASP HA H 57 4.545 4.793 -0.248 1
1 416 . 10 1 1 A 57 57 ASP C C 57 176.869 175.173 1.696 1
1 417 . 10 1 1 A 57 57 ASP CA C 57 54.978 53.487 1.491 1
1 418 . 10 1 1 A 57 57 ASP CB C 57 41.477 41.932 -0.455 1
1 419 . 10 1 1 A 57 57 ASP N N 57 115.979 119.833 -3.854 1
1 420 . 10 1 1 A 58 58 GLU H H 58 7.469 7.703 -0.234 1
1 421 . 10 1 1 A 58 58 GLU HA H 58 4.717 4.715 0.002 1
1 426 . 10 1 1 A 58 58 GLU C C 58 174.081 175.232 -1.151 1
1 427 . 10 1 1 A 58 58 GLU CA C 58 54.280 55.002 -0.722 1
1 428 . 10 1 1 A 58 58 GLU CB C 58 32.995 31.683 1.312 1
1 430 . 10 1 1 A 58 58 GLU N N 58 118.912 118.285 0.627 1
1 431 . 10 1 1 A 59 59 CYS H H 59 9.364 8.551 0.813 1
1 432 . 10 1 1 A 59 59 CYS HA H 59 4.248 4.286 -0.038 1
1 435 . 10 1 1 A 59 59 CYS C C 59 178.266 176.628 1.638 1
1 436 . 10 1 1 A 59 59 CYS CA C 59 59.782 60.243 -0.461 1
1 437 . 10 1 1 A 59 59 CYS CB C 59 31.041 28.591 2.450 1
1 438 . 10 1 1 A 59 59 CYS N N 59 124.760 124.824 -0.064 1
1 439 . 10 1 1 A 60 60 GLU H H 60 9.202 8.754 0.448 1
1 440 . 10 1 1 A 60 60 GLU HA H 60 4.202 4.152 0.050 1
1 445 . 10 1 1 A 60 60 GLU C C 60 175.834 177.403 -1.569 1
1 446 . 10 1 1 A 60 60 GLU CA C 60 58.503 58.340 0.163 1
1 447 . 10 1 1 A 60 60 GLU CB C 60 30.041 28.945 1.096 1
1 449 . 10 1 1 A 60 60 GLU N N 60 130.690 126.503 4.187 1
1 450 . 10 1 1 A 61 61 GLU H H 61 8.751 7.576 1.175 1
1 451 . 10 1 1 A 61 61 GLU HA H 61 4.542 4.343 0.199 1
1 456 . 10 1 1 A 61 61 GLU C C 61 177.312 178.081 -0.769 1
1 457 . 10 1 1 A 61 61 GLU CA C 61 58.094 58.208 -0.114 1
1 458 . 10 1 1 A 61 61 GLU CB C 61 31.037 30.753 0.284 1
1 460 . 10 1 1 A 61 61 GLU N N 61 120.904 118.274 2.630 1
1 461 . 10 1 1 A 62 62 CYS H H 62 8.401 7.306 1.095 1
1 462 . 10 1 1 A 62 62 CYS HA H 62 5.014 4.608 0.406 1
1 465 . 10 1 1 A 62 62 CYS C C 62 177.324 175.556 1.768 1
1 466 . 10 1 1 A 62 62 CYS CA C 62 59.127 58.409 0.718 1
1 467 . 10 1 1 A 62 62 CYS CB C 62 33.355 29.119 4.236 1
1 468 . 10 1 1 A 62 62 CYS N N 62 117.947 114.278 3.669 1
1 469 . 10 1 1 A 63 63 GLY H H 63 8.048 7.984 0.064 1
1 470 . 10 1 1 A 63 63 GLY HA2 H 63 4.234 3.947 0.287 1
1 471 . 10 1 1 A 63 63 GLY HA3 H 63 3.820 3.949 -0.129 1
1 472 . 10 1 1 A 63 63 GLY C C 63 172.914 174.653 -1.739 1
1 473 . 10 1 1 A 63 63 GLY CA C 63 46.163 46.434 -0.271 1
1 474 . 10 1 1 A 63 63 GLY N N 63 113.407 111.133 2.274 1
1 475 . 10 1 1 A 64 64 ALA H H 64 9.148 8.007 1.141 1
1 476 . 10 1 1 A 64 64 ALA HA H 64 4.536 4.478 0.058 1
1 480 . 10 1 1 A 64 64 ALA CA C 64 51.510 50.566 0.944 1
1 481 . 10 1 1 A 64 64 ALA CB C 64 19.099 19.033 0.066 1
1 482 . 10 1 1 A 64 64 ALA N N 64 127.297 123.566 3.731 1
1 483 . 10 1 1 A 65 65 PRO HA H 65 4.583 4.425 0.158 1
1 490 . 10 1 1 A 65 65 PRO C C 65 177.423 176.942 0.481 1
1 491 . 10 1 1 A 65 65 PRO CA C 65 63.020 63.279 -0.259 1
1 492 . 10 1 1 A 65 65 PRO CB C 65 31.832 31.734 0.098 1
1 495 . 10 1 1 A 66 66 ILE H H 66 8.053 8.108 -0.055 1
1 496 . 10 1 1 A 66 66 ILE HA H 66 4.330 4.328 0.002 1
1 506 . 10 1 1 A 66 66 ILE CA C 66 58.847 60.017 -1.170 1
1 507 . 10 1 1 A 66 66 ILE CB C 66 38.162 38.270 -0.108 1
1 511 . 10 1 1 A 66 66 ILE N N 66 125.090 124.128 0.962 1
1 512 . 10 1 1 A 67 67 PRO HA H 67 4.447 4.769 -0.322 1
1 519 . 10 1 1 A 67 67 PRO C C 67 177.325 177.824 -0.499 1
1 520 . 10 1 1 A 67 67 PRO CA C 67 62.883 62.294 0.589 1
1 521 . 10 1 1 A 67 67 PRO CB C 67 32.692 32.608 0.084 1
1 524 . 10 1 1 A 68 68 GLN H H 68 8.982 8.596 0.386 1
1 525 . 10 1 1 A 68 68 GLN HA H 68 3.791 4.003 -0.212 1
1 532 . 10 1 1 A 68 68 GLN C C 68 177.316 178.131 -0.815 1
1 533 . 10 1 1 A 68 68 GLN CA C 68 59.491 58.555 0.936 1
1 534 . 10 1 1 A 68 68 GLN CB C 68 27.882 27.941 -0.059 1
1 536 . 10 1 1 A 68 68 GLN N N 68 124.876 121.218 3.658 1
1 538 . 10 1 1 A 69 69 ALA H H 69 8.892 8.247 0.645 1
1 539 . 10 1 1 A 69 69 ALA HA H 69 4.100 4.048 0.052 1
1 543 . 10 1 1 A 69 69 ALA C C 69 180.347 179.653 0.694 1
1 544 . 10 1 1 A 69 69 ALA CA C 69 55.209 55.053 0.156 1
1 545 . 10 1 1 A 69 69 ALA CB C 69 18.097 18.242 -0.145 1
1 546 . 10 1 1 A 69 69 ALA N N 69 118.268 122.574 -4.306 1
1 547 . 10 1 1 A 70 70 ARG H H 70 7.020 7.601 -0.581 1
1 548 . 10 1 1 A 70 70 ARG HA H 70 4.234 4.097 0.137 1
1 555 . 10 1 1 A 70 70 ARG C C 70 176.438 178.883 -2.445 1
1 556 . 10 1 1 A 70 70 ARG CA C 70 58.791 59.161 -0.370 1
1 557 . 10 1 1 A 70 70 ARG CB C 70 29.544 29.807 -0.263 1
1 560 . 10 1 1 A 70 70 ARG N N 70 119.170 117.637 1.533 1
1 561 . 10 1 1 A 71 71 ARG H H 71 7.754 7.468 0.286 1
1 562 . 10 1 1 A 71 71 ARG HA H 71 3.807 4.130 -0.323 1
1 569 . 10 1 1 A 71 71 ARG C C 71 179.191 178.649 0.542 1
1 570 . 10 1 1 A 71 71 ARG CA C 71 59.782 59.356 0.426 1
1 571 . 10 1 1 A 71 71 ARG CB C 71 30.564 30.077 0.487 1
1 574 . 10 1 1 A 71 71 ARG N N 71 116.460 119.211 -2.751 1
1 575 . 10 1 1 A 72 72 GLU H H 72 8.062 8.155 -0.093 1
1 576 . 10 1 1 A 72 72 GLU HA H 72 4.014 4.104 -0.090 1
1 581 . 10 1 1 A 72 72 GLU C C 72 177.357 178.923 -1.566 1
1 582 . 10 1 1 A 72 72 GLU CA C 72 57.860 59.021 -1.161 1
1 583 . 10 1 1 A 72 72 GLU CB C 72 29.978 29.256 0.722 1
1 585 . 10 1 1 A 72 72 GLU N N 72 114.904 118.527 -3.623 1
1 586 . 10 1 1 A 73 73 ALA H H 73 7.686 7.446 0.240 1
1 587 . 10 1 1 A 73 73 ALA HA H 73 4.199 4.168 0.031 1
1 591 . 10 1 1 A 73 73 ALA C C 73 178.246 177.572 0.674 1
1 592 . 10 1 1 A 73 73 ALA CA C 73 54.110 54.587 -0.477 1
1 593 . 10 1 1 A 73 73 ALA CB C 73 19.546 19.275 0.271 1
1 594 . 10 1 1 A 73 73 ALA N N 73 120.673 121.305 -0.632 1
1 595 . 10 1 1 A 74 74 ILE H H 74 7.609 7.839 -0.230 1
1 596 . 10 1 1 A 74 74 ILE HA H 74 4.318 4.471 -0.153 1
1 606 . 10 1 1 A 74 74 ILE CA C 74 57.722 57.913 -0.191 1
1 607 . 10 1 1 A 74 74 ILE CB C 74 38.313 39.183 -0.870 1
1 611 . 10 1 1 A 74 74 ILE N N 74 117.475 118.222 -0.747 1
1 612 . 10 1 1 A 75 75 PRO HA H 75 4.267 4.491 -0.224 1
1 619 . 10 1 1 A 75 75 PRO C C 75 179.050 177.755 1.295 1
1 620 . 10 1 1 A 75 75 PRO CA C 75 63.966 63.708 0.258 1
1 621 . 10 1 1 A 75 75 PRO CB C 75 31.409 31.285 0.124 1
1 624 . 10 1 1 A 76 76 GLY H H 76 8.594 8.729 -0.135 1
1 625 . 10 1 1 A 76 76 GLY HA2 H 76 4.081 3.924 0.157 1
1 626 . 10 1 1 A 76 76 GLY HA3 H 76 3.402 3.927 -0.525 1
1 627 . 10 1 1 A 76 76 GLY C C 76 174.447 174.657 -0.210 1
1 628 . 10 1 1 A 76 76 GLY CA C 76 45.138 45.559 -0.421 1
1 629 . 10 1 1 A 76 76 GLY N N 76 113.042 112.797 0.245 1
1 630 . 10 1 1 A 77 77 VAL H H 77 8.185 7.496 0.689 1
1 631 . 10 1 1 A 77 77 VAL HA H 77 3.955 4.085 -0.130 1
1 639 . 10 1 1 A 77 77 VAL C C 77 173.122 175.883 -2.761 1
1 640 . 10 1 1 A 77 77 VAL CA C 77 63.160 62.316 0.844 1
1 641 . 10 1 1 A 77 77 VAL CB C 77 30.748 32.600 -1.852 1
1 644 . 10 1 1 A 77 77 VAL N N 77 124.214 120.265 3.949 1
1 645 . 10 1 1 A 78 78 ARG H H 78 8.635 8.751 -0.116 1
1 646 . 10 1 1 A 78 78 ARG HA H 78 4.547 4.710 -0.163 1
1 653 . 10 1 1 A 78 78 ARG C C 78 173.948 175.641 -1.693 1
1 654 . 10 1 1 A 78 78 ARG CA C 78 55.410 55.383 0.027 1
1 655 . 10 1 1 A 78 78 ARG CB C 78 33.618 31.314 2.304 1
1 658 . 10 1 1 A 78 78 ARG N N 78 121.505 124.595 -3.090 1
1 659 . 10 1 1 A 79 79 LEU H H 79 7.037 7.511 -0.474 1
1 660 . 10 1 1 A 79 79 LEU HA H 79 6.078 4.870 1.208 1
1 670 . 10 1 1 A 79 79 LEU C C 79 178.615 176.288 2.327 1
1 671 . 10 1 1 A 79 79 LEU CA C 79 52.286 53.326 -1.040 1
1 672 . 10 1 1 A 79 79 LEU CB C 79 46.763 45.633 1.130 1
1 676 . 10 1 1 A 79 79 LEU N N 79 116.511 120.451 -3.940 1
1 677 . 10 1 1 A 80 80 CYS H H 80 9.639 8.876 0.763 1
1 678 . 10 1 1 A 80 80 CYS HA H 80 4.595 4.565 0.030 1
1 681 . 10 1 1 A 80 80 CYS C C 80 174.898 175.419 -0.521 1
1 682 . 10 1 1 A 80 80 CYS CA C 80 57.983 58.553 -0.570 1
1 683 . 10 1 1 A 80 80 CYS CB C 80 31.306 29.355 1.951 1
1 684 . 10 1 1 A 80 80 CYS N N 80 121.517 123.682 -2.165 1
1 685 . 10 1 1 A 81 81 ILE H H 81 9.215 8.533 0.682 1
1 686 . 10 1 1 A 81 81 ILE HA H 81 3.836 3.882 -0.046 1
1 696 . 10 1 1 A 81 81 ILE C C 81 176.081 177.336 -1.255 1
1 697 . 10 1 1 A 81 81 ILE CA C 81 63.715 63.979 -0.264 1
1 698 . 10 1 1 A 81 81 ILE CB C 81 38.309 37.877 0.432 1
1 702 . 10 1 1 A 81 81 ILE N N 81 119.426 123.213 -3.787 1
1 703 . 10 1 1 A 82 82 HIS H H 82 7.439 7.801 -0.362 1
1 704 . 10 1 1 A 82 82 HIS HA H 82 4.354 4.371 -0.017 1
1 709 . 10 1 1 A 82 82 HIS C C 82 178.603 178.157 0.446 1
1 710 . 10 1 1 A 82 82 HIS CA C 82 59.802 59.295 0.507 1
1 711 . 10 1 1 A 82 82 HIS CB C 82 30.164 30.414 -0.250 1
1 714 . 10 1 1 A 82 82 HIS N N 82 122.605 119.023 3.582 1
1 715 . 10 1 1 A 83 83 CYS H H 83 8.960 8.174 0.786 1
1 716 . 10 1 1 A 83 83 CYS HA H 83 3.995 4.325 -0.330 1
1 719 . 10 1 1 A 83 83 CYS C C 83 178.676 176.926 1.750 1
1 720 . 10 1 1 A 83 83 CYS CA C 83 64.648 61.545 3.103 1
1 721 . 10 1 1 A 83 83 CYS CB C 83 29.618 26.541 3.077 1
1 722 . 10 1 1 A 83 83 CYS N N 83 124.742 118.133 6.609 1
1 723 . 10 1 1 A 84 84 GLN H H 84 8.525 8.055 0.470 1
1 724 . 10 1 1 A 84 84 GLN HA H 84 3.812 4.080 -0.268 1
1 731 . 10 1 1 A 84 84 GLN C C 84 177.478 178.174 -0.696 1
1 732 . 10 1 1 A 84 84 GLN CA C 84 58.750 58.705 0.045 1
1 733 . 10 1 1 A 84 84 GLN CB C 84 28.372 28.559 -0.187 1
1 735 . 10 1 1 A 84 84 GLN N N 84 120.642 121.272 -0.630 1
1 737 . 10 1 1 A 85 85 GLN H H 85 8.100 8.169 -0.069 1
1 738 . 10 1 1 A 85 85 GLN HA H 85 4.117 4.049 0.068 1
1 745 . 10 1 1 A 85 85 GLN C C 85 178.483 177.737 0.746 1
1 746 . 10 1 1 A 85 85 GLN CA C 85 58.857 58.716 0.141 1
1 747 . 10 1 1 A 85 85 GLN CB C 85 28.261 28.631 -0.370 1
1 749 . 10 1 1 A 85 85 GLN N N 85 118.154 117.634 0.520 1
1 751 . 10 1 1 A 86 86 GLU H H 86 7.657 8.308 -0.651 1
1 752 . 10 1 1 A 86 86 GLU HA H 86 4.049 4.073 -0.024 1
1 757 . 10 1 1 A 86 86 GLU C C 86 178.798 178.521 0.277 1
1 758 . 10 1 1 A 86 86 GLU CA C 86 58.852 59.383 -0.531 1
1 759 . 10 1 1 A 86 86 GLU CB C 86 29.716 29.208 0.508 1
1 761 . 10 1 1 A 86 86 GLU N N 86 118.055 118.712 -0.657 1
1 762 . 10 1 1 A 87 87 LYS H H 87 7.799 7.941 -0.142 1
1 763 . 10 1 1 A 87 87 LYS HA H 87 4.056 4.120 -0.064 1
1 772 . 10 1 1 A 87 87 LYS C C 87 179.025 179.428 -0.403 1
1 773 . 10 1 1 A 87 87 LYS CA C 87 58.452 59.108 -0.656 1
1 774 . 10 1 1 A 87 87 LYS CB C 87 32.067 32.207 -0.140 1
1 778 . 10 1 1 A 87 87 LYS N N 87 119.741 119.241 0.500 1
1 779 . 10 1 1 A 88 88 ASP H H 88 8.300 8.176 0.124 1
1 780 . 10 1 1 A 88 88 ASP HA H 88 4.461 4.400 0.061 1
1 783 . 10 1 1 A 88 88 ASP C C 88 177.597 178.541 -0.944 1
1 784 . 10 1 1 A 88 88 ASP CA C 88 56.228 56.372 -0.144 1
1 785 . 10 1 1 A 88 88 ASP CB C 88 40.500 41.373 -0.873 1
1 786 . 10 1 1 A 88 88 ASP N N 88 119.700 119.690 0.010 1
1 787 . 10 1 1 A 89 89 LEU H H 89 7.672 8.042 -0.370 1
1 788 . 10 1 1 A 89 89 LEU HA H 89 4.227 4.001 0.226 1
1 798 . 10 1 1 A 89 89 LEU C C 89 177.757 179.318 -1.561 1
1 799 . 10 1 1 A 89 89 LEU CA C 89 55.938 57.824 -1.886 1
1 800 . 10 1 1 A 89 89 LEU CB C 89 42.267 41.208 1.059 1
1 804 . 10 1 1 A 89 89 LEU N N 89 119.729 119.219 0.510 1
1 805 . 10 1 1 A 90 90 GLN H H 90 7.823 7.464 0.359 1
1 806 . 10 1 1 A 90 90 GLN HA H 90 4.264 4.262 0.002 1
1 813 . 10 1 1 A 90 90 GLN C C 90 175.896 175.896 0.000 1
1 814 . 10 1 1 A 90 90 GLN CA C 90 55.828 58.157 -2.329 1
1 815 . 10 1 1 A 90 90 GLN CB C 90 28.871 29.239 -0.368 1
1 817 . 10 1 1 A 90 90 GLN N N 90 118.133 116.938 1.195 1
1 819 . 10 1 1 A 91 91 LYS H H 91 8.016 7.402 0.614 1
1 820 . 10 1 1 A 91 91 LYS HA H 91 4.561 4.625 -0.064 1
1 829 . 10 1 1 A 91 91 LYS CA C 91 54.567 54.815 -0.248 1
1 830 . 10 1 1 A 91 91 LYS CB C 91 32.373 32.376 -0.003 1
1 834 . 10 1 1 A 91 91 LYS N N 91 122.571 118.020 4.551 1
1 835 . 10 1 1 A 92 92 PRO HA H 92 4.372 4.356 0.016 1
1 842 . 10 1 1 A 92 92 PRO C C 92 176.665 176.673 -0.008 1
1 843 . 10 1 1 A 92 92 PRO CA C 92 63.251 63.432 -0.181 1
1 844 . 10 1 1 A 92 92 PRO CB C 92 32.073 31.787 0.286 1
1 847 . 10 1 1 A 93 93 ALA H H 93 8.364 7.786 0.578 1
1 848 . 10 1 1 A 93 93 ALA HA H 93 4.245 3.936 0.309 1
1 852 . 10 1 1 A 93 93 ALA C C 93 177.504 175.591 1.913 1
1 853 . 10 1 1 A 93 93 ALA CA C 93 52.458 53.495 -1.037 1
1 854 . 10 1 1 A 93 93 ALA CB C 93 19.247 17.927 1.320 1
1 855 . 10 1 1 A 93 93 ALA N N 93 123.718 120.142 3.576 1
1 856 . 10 1 1 A 94 94 TYR H H 94 8.153 7.197 0.956 1
1 857 . 10 1 1 A 94 94 TYR HA H 94 4.626 4.983 -0.357 1
1 864 . 10 1 1 A 94 94 TYR C C 94 176.141 174.696 1.445 1
1 865 . 10 1 1 A 94 94 TYR CA C 94 57.859 55.894 1.965 1
1 866 . 10 1 1 A 94 94 TYR CB C 94 38.793 40.879 -2.086 1
1 871 . 10 1 1 A 94 94 TYR N N 94 119.293 112.420 6.873 1
1 872 . 10 1 1 A 95 95 THR H H 95 8.119 8.417 -0.298 1
1 873 . 10 1 1 A 95 95 THR HA H 95 4.286 4.586 -0.300 1
1 878 . 10 1 1 A 95 95 THR C C 95 174.813 175.801 -0.988 1
1 879 . 10 1 1 A 95 95 THR CA C 95 61.758 61.604 0.154 1
1 880 . 10 1 1 A 95 95 THR CB C 95 69.860 70.778 -0.918 1
1 882 . 10 1 1 A 95 95 THR N N 95 115.890 111.936 3.954 1
1 883 . 10 1 1 A 96 96 GLY H H 96 7.669 8.224 -0.555 1
1 884 . 10 1 1 A 96 96 GLY HA2 H 96 3.875 3.978 -0.103 1
1 885 . 10 1 1 A 96 96 GLY HA3 H 96 3.822 4.037 -0.215 1
1 886 . 10 1 1 A 96 96 GLY C C 96 173.774 173.821 -0.047 1
1 887 . 10 1 1 A 96 96 GLY CA C 96 45.320 46.235 -0.915 1
1 888 . 10 1 1 A 96 96 GLY N N 96 110.133 111.277 -1.144 1
1 889 . 10 1 1 A 97 97 TYR H H 97 8.028 7.513 0.515 1
1 890 . 10 1 1 A 97 97 TYR HA H 97 4.510 4.589 -0.079 1
1 897 . 10 1 1 A 97 97 TYR CA C 97 58.115 58.270 -0.155 1
1 898 . 10 1 1 A 97 97 TYR CB C 97 38.769 39.353 -0.584 1
1 903 . 10 1 1 A 97 97 TYR N N 97 119.945 120.321 -0.376 1
1 904 . 10 1 1 A 98 98 ASN HA H 98 4.641 4.910 -0.269 1
1 909 . 10 1 1 A 98 98 ASN C C 98 174.882 174.684 0.198 1
1 910 . 10 1 1 A 98 98 ASN CA C 98 53.067 53.388 -0.321 1
1 911 . 10 1 1 A 98 98 ASN CB C 98 38.835 38.427 0.408 1
1 913 . 10 1 1 A 99 99 ARG H H 99 8.226 8.657 -0.431 1
1 914 . 10 1 1 A 99 99 ARG HA H 99 4.259 4.629 -0.370 1
1 921 . 10 1 1 A 99 99 ARG C C 99 176.406 176.001 0.405 1
1 922 . 10 1 1 A 99 99 ARG CA C 99 56.464 55.503 0.961 1
1 923 . 10 1 1 A 99 99 ARG CB C 99 30.588 31.839 -1.251 1
1 926 . 10 1 1 A 99 99 ARG N N 99 121.620 124.050 -2.430 1
1 927 . 10 1 1 A 100 100 ARG H H 100 8.398 8.560 -0.162 1
1 928 . 10 1 1 A 100 100 ARG N N 100 121.935 122.243 -0.308 1
1 929 . 10 1 1 A 101 101 GLY HA2 H 101 3.835 3.904 -0.069 1
1 930 . 10 1 1 A 101 101 GLY HA3 H 101 3.835 3.904 -0.069 1
1 931 . 10 1 1 A 101 101 GLY CA C 101 43.935 46.768 -2.833 1
1 932 . 10 1 1 A 102 102 SER HA H 102 4.460 5.283 -0.823 1
1 935 . 10 1 1 A 102 102 SER CA C 102 58.458 57.277 1.181 1
1 936 . 10 1 1 A 102 102 SER CB C 102 64.128 65.581 -1.453 1
1 937 . 10 1 1 A 103 103 LYS H H 103 8.524 8.682 -0.158 1
1 938 . 10 1 1 A 103 103 LYS HA H 103 4.305 4.986 -0.681 1
1 947 . 10 1 1 A 103 103 LYS CA C 103 56.788 54.706 2.082 1
1 948 . 10 1 1 A 103 103 LYS CB C 103 32.766 35.417 -2.651 1
1 952 . 10 1 1 A 103 103 LYS N N 103 123.092 121.534 1.558 1
1 953 . 10 1 1 A 104 104 ASP H H 104 8.316 8.646 -0.330 1
1 954 . 10 1 1 A 104 104 ASP HA H 104 4.612 4.724 -0.112 1
1 957 . 10 1 1 A 104 104 ASP C C 104 176.493 174.925 1.568 1
1 958 . 10 1 1 A 104 104 ASP CA C 104 54.704 53.631 1.073 1
1 959 . 10 1 1 A 104 104 ASP CB C 104 41.277 40.042 1.235 1
1 960 . 10 1 1 A 104 104 ASP N N 104 120.807 122.906 -2.099 1
1 961 . 10 1 1 A 105 105 SER H H 105 8.215 8.781 -0.566 1
1 962 . 10 1 1 A 105 105 SER HA H 105 4.390 5.299 -0.909 1
1 965 . 10 1 1 A 105 105 SER C C 105 174.659 173.417 1.242 1
1 966 . 10 1 1 A 105 105 SER CA C 105 58.889 57.426 1.463 1
1 967 . 10 1 1 A 105 105 SER CB C 105 63.781 64.908 -1.127 1
1 968 . 10 1 1 A 105 105 SER N N 105 116.100 121.090 -4.990 1
1 969 . 10 1 1 A 106 106 GLN H H 106 8.396 9.077 -0.681 1
1 970 . 10 1 1 A 106 106 GLN HA H 106 4.344 4.916 -0.572 1
1 977 . 10 1 1 A 106 106 GLN C C 106 175.746 175.186 0.560 1
1 978 . 10 1 1 A 106 106 GLN CA C 106 55.981 54.261 1.720 1
1 979 . 10 1 1 A 106 106 GLN CB C 106 29.351 32.318 -2.967 1
1 981 . 10 1 1 A 106 106 GLN N N 106 121.640 122.204 -0.564 1
1 983 . 10 1 1 A 107 107 LEU H H 107 8.172 8.455 -0.283 1
1 984 . 10 1 1 A 107 107 LEU HA H 107 4.348 4.779 -0.431 1
1 994 . 10 1 1 A 107 107 LEU C C 107 176.328 177.012 -0.684 1
1 995 . 10 1 1 A 107 107 LEU CA C 107 55.385 53.966 1.419 1
1 996 . 10 1 1 A 107 107 LEU CB C 107 42.163 42.330 -0.167 1
1 1000 . 10 1 1 A 107 107 LEU N N 107 123.200 118.616 4.584 1
1 12 . 11 1 1 A 22 22 ALA H H 22 8.289 8.500 -0.211 1
1 13 . 11 1 1 A 22 22 ALA HA H 22 4.277 4.095 0.182 1
1 17 . 11 1 1 A 22 22 ALA C C 22 177.730 175.860 1.870 1
1 18 . 11 1 1 A 22 22 ALA CA C 22 52.742 51.743 0.999 1
1 19 . 11 1 1 A 22 22 ALA CB C 22 19.263 17.304 1.959 1
1 20 . 11 1 1 A 22 22 ALA N N 22 125.042 126.280 -1.238 1
1 21 . 11 1 1 A 23 23 SER H H 23 8.253 8.394 -0.141 1
1 22 . 11 1 1 A 23 23 SER HA H 23 4.374 5.042 -0.668 1
1 25 . 11 1 1 A 23 23 SER C C 23 175.066 173.556 1.510 1
1 26 . 11 1 1 A 23 23 SER CA C 23 58.670 57.670 1.000 1
1 27 . 11 1 1 A 23 23 SER CB C 23 63.822 65.612 -1.790 1
1 28 . 11 1 1 A 23 23 SER N N 23 114.713 112.634 2.079 1
1 29 . 11 1 1 A 24 24 GLY H H 24 8.368 8.951 -0.583 1
1 30 . 11 1 1 A 24 24 GLY HA2 H 24 3.945 4.003 -0.058 1
1 31 . 11 1 1 A 24 24 GLY HA3 H 24 3.886 4.053 -0.167 1
1 32 . 11 1 1 A 24 24 GLY C C 24 173.906 175.300 -1.394 1
1 33 . 11 1 1 A 24 24 GLY CA C 24 45.410 45.406 0.004 1
1 34 . 11 1 1 A 24 24 GLY N N 24 110.595 112.922 -2.327 1
1 35 . 11 1 1 A 25 25 TRP H H 25 7.961 8.545 -0.584 1
1 36 . 11 1 1 A 25 25 TRP HA H 25 4.632 4.496 0.136 1
1 45 . 11 1 1 A 25 25 TRP C C 25 175.880 176.987 -1.107 1
1 46 . 11 1 1 A 25 25 TRP CA C 25 57.289 59.986 -2.697 1
1 47 . 11 1 1 A 25 25 TRP CB C 25 29.725 28.851 0.874 1
1 53 . 11 1 1 A 25 25 TRP N N 25 120.881 120.946 -0.065 1
1 55 . 11 1 1 A 26 26 ALA H H 26 8.129 7.104 1.025 1
1 56 . 11 1 1 A 26 26 ALA HA H 26 4.222 4.253 -0.031 1
1 60 . 11 1 1 A 26 26 ALA C C 26 176.977 175.678 1.299 1
1 61 . 11 1 1 A 26 26 ALA CA C 26 52.345 51.146 1.199 1
1 62 . 11 1 1 A 26 26 ALA CB C 26 19.414 19.933 -0.519 1
1 63 . 11 1 1 A 26 26 ALA N N 26 125.541 120.033 5.508 1
1 64 . 11 1 1 A 27 27 ASN H H 27 8.139 7.668 0.471 1
1 65 . 11 1 1 A 27 27 ASN HA H 27 4.581 4.712 -0.131 1
1 70 . 11 1 1 A 27 27 ASN C C 27 175.044 173.667 1.377 1
1 71 . 11 1 1 A 27 27 ASN CA C 27 53.260 51.624 1.636 1
1 72 . 11 1 1 A 27 27 ASN CB C 27 39.022 37.854 1.168 1
1 73 . 11 1 1 A 27 27 ASN N N 27 117.794 117.572 0.222 1
1 75 . 11 1 1 A 28 28 ASP H H 28 8.286 8.555 -0.269 1
1 76 . 11 1 1 A 28 28 ASP HA H 28 4.581 4.640 -0.059 1
1 79 . 11 1 1 A 28 28 ASP C C 28 176.163 175.535 0.628 1
1 80 . 11 1 1 A 28 28 ASP CA C 28 54.629 54.222 0.407 1
1 81 . 11 1 1 A 28 28 ASP CB C 28 41.129 41.820 -0.691 1
1 82 . 11 1 1 A 28 28 ASP N N 28 120.788 123.114 -2.326 1
1 83 . 11 1 1 A 29 29 ASP H H 29 8.287 8.983 -0.696 1
1 84 . 11 1 1 A 29 29 ASP HA H 29 4.546 4.705 -0.159 1
1 87 . 11 1 1 A 29 29 ASP C C 29 176.359 176.464 -0.105 1
1 88 . 11 1 1 A 29 29 ASP CA C 29 54.883 54.932 -0.049 1
1 89 . 11 1 1 A 29 29 ASP CB C 29 41.050 40.974 0.076 1
1 90 . 11 1 1 A 29 29 ASP N N 29 120.641 122.285 -1.644 1
1 91 . 11 1 1 A 30 30 ALA H H 30 8.141 7.968 0.173 1
1 92 . 11 1 1 A 30 30 ALA HA H 30 4.278 4.508 -0.230 1
1 96 . 11 1 1 A 30 30 ALA C C 30 178.218 178.509 -0.291 1
1 97 . 11 1 1 A 30 30 ALA CA C 30 53.006 52.889 0.117 1
1 98 . 11 1 1 A 30 30 ALA CB C 30 19.115 20.767 -1.652 1
1 99 . 11 1 1 A 30 30 ALA N N 30 123.561 121.220 2.341 1
1 100 . 11 1 1 A 31 31 VAL H H 31 7.996 8.035 -0.039 1
1 101 . 11 1 1 A 31 31 VAL HA H 31 4.010 3.831 0.179 1
1 109 . 11 1 1 A 31 31 VAL C C 31 175.417 177.630 -2.213 1
1 110 . 11 1 1 A 31 31 VAL CA C 31 62.896 64.757 -1.861 1
1 111 . 11 1 1 A 31 31 VAL CB C 31 32.567 31.666 0.901 1
1 114 . 11 1 1 A 31 31 VAL N N 31 118.676 117.810 0.866 1
1 115 . 11 1 1 A 32 32 ASN H H 32 8.364 8.521 -0.157 1
1 116 . 11 1 1 A 32 32 ASN HA H 32 4.694 4.350 0.344 1
1 121 . 11 1 1 A 32 32 ASN C C 32 174.659 177.126 -2.467 1
1 122 . 11 1 1 A 32 32 ASN CA C 32 53.547 55.801 -2.254 1
1 123 . 11 1 1 A 32 32 ASN CB C 32 38.939 37.289 1.650 1
1 124 . 11 1 1 A 32 32 ASN N N 32 121.518 118.445 3.073 1
1 126 . 11 1 1 A 33 33 GLU H H 33 8.380 8.271 0.109 1
1 127 . 11 1 1 A 33 33 GLU HA H 33 4.240 4.029 0.211 1
1 132 . 11 1 1 A 33 33 GLU C C 33 176.641 179.518 -2.877 1
1 133 . 11 1 1 A 33 33 GLU CA C 33 57.074 59.126 -2.052 1
1 134 . 11 1 1 A 33 33 GLU CB C 33 30.212 29.253 0.959 1
1 136 . 11 1 1 A 33 33 GLU N N 33 121.497 120.052 1.445 1
1 137 . 11 1 1 A 34 34 GLN H H 34 8.333 7.886 0.447 1
1 138 . 11 1 1 A 34 34 GLN HA H 34 4.315 4.063 0.252 1
1 145 . 11 1 1 A 34 34 GLN C C 34 176.325 179.072 -2.747 1
1 146 . 11 1 1 A 34 34 GLN CA C 34 56.232 58.572 -2.340 1
1 147 . 11 1 1 A 34 34 GLN CB C 34 29.304 28.351 0.953 1
1 149 . 11 1 1 A 34 34 GLN N N 34 120.891 118.926 1.965 1
1 151 . 11 1 1 A 35 35 ILE H H 35 8.155 7.146 1.009 1
1 152 . 11 1 1 A 35 35 ILE HA H 35 4.116 4.123 -0.007 1
1 162 . 11 1 1 A 35 35 ILE C C 35 176.203 176.178 0.025 1
1 163 . 11 1 1 A 35 35 ILE CA C 35 61.645 63.318 -1.673 1
1 164 . 11 1 1 A 35 35 ILE CB C 35 38.640 38.463 0.177 1
1 168 . 11 1 1 A 35 35 ILE N N 35 121.784 117.845 3.939 1
1 169 . 11 1 1 A 36 36 ASN H H 36 8.504 7.270 1.234 1
1 170 . 11 1 1 A 36 36 ASN HA H 36 4.760 4.619 0.141 1
1 175 . 11 1 1 A 36 36 ASN C C 36 175.468 176.570 -1.102 1
1 176 . 11 1 1 A 36 36 ASN CA C 36 53.504 53.741 -0.237 1
1 177 . 11 1 1 A 36 36 ASN CB C 36 38.947 40.269 -1.322 1
1 178 . 11 1 1 A 36 36 ASN N N 36 122.204 120.609 1.595 1
1 180 . 11 1 1 A 37 37 SER H H 37 8.380 9.058 -0.678 1
1 181 . 11 1 1 A 37 37 SER HA H 37 4.505 4.384 0.121 1
1 184 . 11 1 1 A 37 37 SER C C 37 174.990 176.651 -1.661 1
1 185 . 11 1 1 A 37 37 SER CA C 37 58.963 61.083 -2.120 1
1 186 . 11 1 1 A 37 37 SER CB C 37 63.760 63.269 0.491 1
1 187 . 11 1 1 A 37 37 SER N N 37 116.788 120.806 -4.018 1
1 188 . 11 1 1 A 38 38 THR H H 38 8.302 7.782 0.520 1
1 189 . 11 1 1 A 38 38 THR HA H 38 4.369 4.095 0.274 1
1 194 . 11 1 1 A 38 38 THR C C 38 175.437 176.754 -1.317 1
1 195 . 11 1 1 A 38 38 THR CA C 38 62.751 65.827 -3.076 1
1 196 . 11 1 1 A 38 38 THR CB C 38 69.838 68.480 1.358 1
1 198 . 11 1 1 A 38 38 THR N N 38 116.285 115.814 0.471 1
1 199 . 11 1 1 A 39 39 ILE H H 39 8.153 7.479 0.674 1
1 200 . 11 1 1 A 39 39 ILE HA H 39 4.080 3.711 0.369 1
1 210 . 11 1 1 A 39 39 ILE C C 39 176.850 178.018 -1.168 1
1 211 . 11 1 1 A 39 39 ILE CA C 39 62.295 64.632 -2.337 1
1 212 . 11 1 1 A 39 39 ILE CB C 39 38.373 37.164 1.209 1
1 216 . 11 1 1 A 39 39 ILE N N 39 123.148 121.857 1.291 1
1 217 . 11 1 1 A 40 40 GLU H H 40 8.438 8.489 -0.051 1
1 218 . 11 1 1 A 40 40 GLU HA H 40 4.146 4.035 0.111 1
1 223 . 11 1 1 A 40 40 GLU C C 40 177.573 178.517 -0.944 1
1 224 . 11 1 1 A 40 40 GLU CA C 40 58.026 59.105 -1.079 1
1 225 . 11 1 1 A 40 40 GLU CB C 40 29.870 29.039 0.831 1
1 227 . 11 1 1 A 40 40 GLU N N 40 123.184 120.079 3.105 1
1 228 . 11 1 1 A 41 41 ASP H H 41 8.295 7.724 0.571 1
1 229 . 11 1 1 A 41 41 ASP HA H 41 4.512 4.369 0.143 1
1 232 . 11 1 1 A 41 41 ASP C C 41 176.856 177.968 -1.112 1
1 233 . 11 1 1 A 41 41 ASP CA C 41 55.563 57.301 -1.738 1
1 234 . 11 1 1 A 41 41 ASP CB C 41 41.080 40.927 0.153 1
1 235 . 11 1 1 A 41 41 ASP N N 41 121.311 120.739 0.572 1
1 236 . 11 1 1 A 42 42 ALA H H 42 8.098 7.614 0.484 1
1 237 . 11 1 1 A 42 42 ALA HA H 42 4.153 4.098 0.055 1
1 241 . 11 1 1 A 42 42 ALA C C 42 179.658 180.504 -0.846 1
1 242 . 11 1 1 A 42 42 ALA CA C 42 54.315 55.192 -0.877 1
1 243 . 11 1 1 A 42 42 ALA CB C 42 18.765 18.073 0.692 1
1 244 . 11 1 1 A 42 42 ALA N N 42 123.411 121.001 2.410 1
1 245 . 11 1 1 A 43 43 ILE H H 43 8.047 7.697 0.350 1
1 246 . 11 1 1 A 43 43 ILE HA H 43 3.904 3.785 0.119 1
1 256 . 11 1 1 A 43 43 ILE C C 43 176.603 178.106 -1.503 1
1 257 . 11 1 1 A 43 43 ILE CA C 43 63.028 64.166 -1.138 1
1 258 . 11 1 1 A 43 43 ILE CB C 43 38.140 36.770 1.370 1
1 262 . 11 1 1 A 43 43 ILE N N 43 119.853 118.607 1.246 1
1 263 . 11 1 1 A 44 44 ALA H H 44 8.072 8.181 -0.109 1
1 264 . 11 1 1 A 44 44 ALA HA H 44 4.162 3.983 0.179 1
1 268 . 11 1 1 A 44 44 ALA C C 44 179.414 179.792 -0.378 1
1 269 . 11 1 1 A 44 44 ALA CA C 44 54.011 55.168 -1.157 1
1 270 . 11 1 1 A 44 44 ALA CB C 44 18.614 18.030 0.584 1
1 271 . 11 1 1 A 44 44 ALA N N 44 124.814 122.324 2.490 1
1 272 . 11 1 1 A 45 45 ARG H H 45 8.177 8.101 0.076 1
1 273 . 11 1 1 A 45 45 ARG HA H 45 4.187 4.136 0.051 1
1 280 . 11 1 1 A 45 45 ARG C C 45 177.629 178.403 -0.774 1
1 281 . 11 1 1 A 45 45 ARG CA C 45 57.569 58.266 -0.697 1
1 282 . 11 1 1 A 45 45 ARG CB C 45 30.600 29.799 0.801 1
1 285 . 11 1 1 A 45 45 ARG N N 45 118.718 116.759 1.959 1
1 286 . 11 1 1 A 46 46 ALA H H 46 8.004 7.729 0.275 1
1 287 . 11 1 1 A 46 46 ALA HA H 46 4.274 4.195 0.079 1
1 291 . 11 1 1 A 46 46 ALA C C 46 178.519 178.044 0.475 1
1 292 . 11 1 1 A 46 46 ALA CA C 46 53.339 54.386 -1.047 1
1 293 . 11 1 1 A 46 46 ALA CB C 46 18.827 19.126 -0.299 1
1 294 . 11 1 1 A 46 46 ALA N N 46 123.416 121.629 1.787 1
1 295 . 11 1 1 A 47 47 ARG H H 47 8.082 7.464 0.618 1
1 296 . 11 1 1 A 47 47 ARG HA H 47 4.285 4.419 -0.134 1
1 303 . 11 1 1 A 47 47 ARG C C 47 177.103 176.585 0.518 1
1 304 . 11 1 1 A 47 47 ARG CA C 47 56.871 55.090 1.781 1
1 305 . 11 1 1 A 47 47 ARG CB C 47 30.655 31.816 -1.161 1
1 308 . 11 1 1 A 47 47 ARG N N 47 118.672 113.842 4.830 1
1 309 . 11 1 1 A 48 48 GLY H H 48 8.160 7.884 0.276 1
1 310 . 11 1 1 A 48 48 GLY HA2 H 48 3.976 3.899 0.077 1
1 311 . 11 1 1 A 48 48 GLY HA3 H 48 3.976 3.907 0.069 1
1 312 . 11 1 1 A 48 48 GLY C C 48 174.015 175.049 -1.034 1
1 313 . 11 1 1 A 48 48 GLY CA C 48 45.337 46.732 -1.395 1
1 314 . 11 1 1 A 48 48 GLY N N 48 108.533 109.488 -0.955 1
1 315 . 11 1 1 A 49 49 GLU H H 49 8.113 8.030 0.083 1
1 316 . 11 1 1 A 49 49 GLU HA H 49 4.317 4.026 0.291 1
1 321 . 11 1 1 A 49 49 GLU C C 49 176.216 177.184 -0.968 1
1 322 . 11 1 1 A 49 49 GLU CA C 49 56.125 59.059 -2.934 1
1 323 . 11 1 1 A 49 49 GLU CB C 49 30.497 29.849 0.648 1
1 325 . 11 1 1 A 49 49 GLU N N 49 120.272 120.744 -0.472 1
1 326 . 11 1 1 A 50 50 ILE H H 50 8.203 7.799 0.404 1
1 327 . 11 1 1 A 50 50 ILE HA H 50 4.419 4.203 0.216 1
1 337 . 11 1 1 A 50 50 ILE CA C 50 58.687 60.007 -1.320 1
1 338 . 11 1 1 A 50 50 ILE CB C 50 38.623 38.273 0.350 1
1 342 . 11 1 1 A 50 50 ILE N N 50 123.785 120.700 3.085 1
1 343 . 11 1 1 A 51 51 PRO HA H 51 4.414 4.711 -0.297 1
1 350 . 11 1 1 A 51 51 PRO C C 51 176.785 175.689 1.096 1
1 351 . 11 1 1 A 51 51 PRO CA C 51 63.188 62.159 1.029 1
1 352 . 11 1 1 A 51 51 PRO CB C 51 32.210 33.201 -0.991 1
1 355 . 11 1 1 A 52 52 ARG H H 52 8.545 8.618 -0.073 1
1 356 . 11 1 1 A 52 52 ARG HA H 52 4.300 4.476 -0.176 1
1 363 . 11 1 1 A 52 52 ARG C C 52 176.985 176.482 0.503 1
1 364 . 11 1 1 A 52 52 ARG CA C 52 56.493 56.123 0.370 1
1 365 . 11 1 1 A 52 52 ARG CB C 52 30.944 28.664 2.280 1
1 368 . 11 1 1 A 52 52 ARG N N 52 122.009 120.263 1.746 1
1 369 . 11 1 1 A 53 53 GLY H H 53 8.504 8.014 0.490 1
1 370 . 11 1 1 A 53 53 GLY HA2 H 53 3.995 4.030 -0.035 1
1 371 . 11 1 1 A 53 53 GLY HA3 H 53 3.934 4.030 -0.096 1
1 372 . 11 1 1 A 53 53 GLY C C 53 173.562 172.557 1.005 1
1 373 . 11 1 1 A 53 53 GLY CA C 53 44.990 44.002 0.988 1
1 374 . 11 1 1 A 53 53 GLY N N 53 110.270 113.315 -3.045 1
1 375 . 11 1 1 A 54 54 GLU H H 54 8.216 8.400 -0.184 1
1 376 . 11 1 1 A 54 54 GLU HA H 54 4.364 4.717 -0.353 1
1 381 . 11 1 1 A 54 54 GLU C C 54 177.145 175.871 1.274 1
1 382 . 11 1 1 A 54 54 GLU CA C 54 55.883 55.071 0.812 1
1 383 . 11 1 1 A 54 54 GLU CB C 54 30.696 32.076 -1.380 1
1 385 . 11 1 1 A 54 54 GLU N N 54 119.939 121.193 -1.254 1
1 386 . 11 1 1 A 55 55 SER H H 55 8.916 8.735 0.181 1
1 387 . 11 1 1 A 55 55 SER HA H 55 4.544 4.550 -0.006 1
1 390 . 11 1 1 A 55 55 SER C C 55 174.434 174.471 -0.037 1
1 391 . 11 1 1 A 55 55 SER CA C 55 58.592 58.091 0.501 1
1 392 . 11 1 1 A 55 55 SER CB C 55 63.662 63.048 0.614 1
1 393 . 11 1 1 A 55 55 SER N N 55 118.742 116.242 2.500 1
1 394 . 11 1 1 A 56 56 LEU H H 56 8.598 8.025 0.573 1
1 395 . 11 1 1 A 56 56 LEU HA H 56 4.343 4.619 -0.276 1
1 405 . 11 1 1 A 56 56 LEU C C 56 176.024 176.937 -0.913 1
1 406 . 11 1 1 A 56 56 LEU CA C 56 54.782 53.521 1.261 1
1 407 . 11 1 1 A 56 56 LEU CB C 56 42.106 43.776 -1.670 1
1 411 . 11 1 1 A 56 56 LEU N N 56 125.386 122.914 2.472 1
1 412 . 11 1 1 A 57 57 ASP H H 57 8.211 8.639 -0.428 1
1 413 . 11 1 1 A 57 57 ASP HA H 57 4.545 4.920 -0.375 1
1 416 . 11 1 1 A 57 57 ASP C C 57 176.869 175.653 1.216 1
1 417 . 11 1 1 A 57 57 ASP CA C 57 54.978 53.459 1.519 1
1 418 . 11 1 1 A 57 57 ASP CB C 57 41.477 41.482 -0.005 1
1 419 . 11 1 1 A 57 57 ASP N N 57 115.979 117.330 -1.351 1
1 420 . 11 1 1 A 58 58 GLU H H 58 7.469 7.692 -0.223 1
1 421 . 11 1 1 A 58 58 GLU HA H 58 4.717 4.666 0.051 1
1 426 . 11 1 1 A 58 58 GLU C C 58 174.081 175.198 -1.117 1
1 427 . 11 1 1 A 58 58 GLU CA C 58 54.280 54.923 -0.643 1
1 428 . 11 1 1 A 58 58 GLU CB C 58 32.995 31.985 1.010 1
1 430 . 11 1 1 A 58 58 GLU N N 58 118.912 118.915 -0.003 1
1 431 . 11 1 1 A 59 59 CYS H H 59 9.364 8.770 0.594 1
1 432 . 11 1 1 A 59 59 CYS HA H 59 4.248 4.299 -0.051 1
1 435 . 11 1 1 A 59 59 CYS C C 59 178.266 176.974 1.292 1
1 436 . 11 1 1 A 59 59 CYS CA C 59 59.782 60.291 -0.509 1
1 437 . 11 1 1 A 59 59 CYS CB C 59 31.041 29.127 1.914 1
1 438 . 11 1 1 A 59 59 CYS N N 59 124.760 125.180 -0.420 1
1 439 . 11 1 1 A 60 60 GLU H H 60 9.202 8.500 0.702 1
1 440 . 11 1 1 A 60 60 GLU HA H 60 4.202 4.236 -0.034 1
1 445 . 11 1 1 A 60 60 GLU C C 60 175.834 175.821 0.013 1
1 446 . 11 1 1 A 60 60 GLU CA C 60 58.503 57.226 1.277 1
1 447 . 11 1 1 A 60 60 GLU CB C 60 30.041 28.580 1.461 1
1 449 . 11 1 1 A 60 60 GLU N N 60 130.690 125.812 4.878 1
1 450 . 11 1 1 A 61 61 GLU H H 61 8.751 7.914 0.837 1
1 451 . 11 1 1 A 61 61 GLU HA H 61 4.542 4.502 0.040 1
1 456 . 11 1 1 A 61 61 GLU C C 61 177.312 177.952 -0.640 1
1 457 . 11 1 1 A 61 61 GLU CA C 61 58.094 57.408 0.686 1
1 458 . 11 1 1 A 61 61 GLU CB C 61 31.037 31.366 -0.329 1
1 460 . 11 1 1 A 61 61 GLU N N 61 120.904 117.477 3.427 1
1 461 . 11 1 1 A 62 62 CYS H H 62 8.401 7.789 0.612 1
1 462 . 11 1 1 A 62 62 CYS HA H 62 5.014 4.615 0.399 1
1 465 . 11 1 1 A 62 62 CYS C C 62 177.324 175.540 1.784 1
1 466 . 11 1 1 A 62 62 CYS CA C 62 59.127 58.438 0.689 1
1 467 . 11 1 1 A 62 62 CYS CB C 62 33.355 29.143 4.212 1
1 468 . 11 1 1 A 62 62 CYS N N 62 117.947 114.543 3.404 1
1 469 . 11 1 1 A 63 63 GLY H H 63 8.048 8.092 -0.044 1
1 470 . 11 1 1 A 63 63 GLY HA2 H 63 4.234 3.937 0.297 1
1 471 . 11 1 1 A 63 63 GLY HA3 H 63 3.820 3.939 -0.119 1
1 472 . 11 1 1 A 63 63 GLY C C 63 172.914 174.665 -1.751 1
1 473 . 11 1 1 A 63 63 GLY CA C 63 46.163 46.671 -0.508 1
1 474 . 11 1 1 A 63 63 GLY N N 63 113.407 111.306 2.101 1
1 475 . 11 1 1 A 64 64 ALA H H 64 9.148 8.001 1.147 1
1 476 . 11 1 1 A 64 64 ALA HA H 64 4.536 4.501 0.035 1
1 480 . 11 1 1 A 64 64 ALA CA C 64 51.510 50.563 0.947 1
1 481 . 11 1 1 A 64 64 ALA CB C 64 19.099 19.035 0.064 1
1 482 . 11 1 1 A 64 64 ALA N N 64 127.297 123.561 3.736 1
1 483 . 11 1 1 A 65 65 PRO HA H 65 4.583 4.443 0.140 1
1 490 . 11 1 1 A 65 65 PRO C C 65 177.423 176.810 0.613 1
1 491 . 11 1 1 A 65 65 PRO CA C 65 63.020 63.335 -0.315 1
1 492 . 11 1 1 A 65 65 PRO CB C 65 31.832 31.944 -0.112 1
1 495 . 11 1 1 A 66 66 ILE H H 66 8.053 8.238 -0.185 1
1 496 . 11 1 1 A 66 66 ILE HA H 66 4.330 4.431 -0.101 1
1 506 . 11 1 1 A 66 66 ILE CA C 66 58.847 59.358 -0.511 1
1 507 . 11 1 1 A 66 66 ILE CB C 66 38.162 38.204 -0.042 1
1 511 . 11 1 1 A 66 66 ILE N N 66 125.090 124.150 0.940 1
1 512 . 11 1 1 A 67 67 PRO HA H 67 4.447 4.623 -0.176 1
1 519 . 11 1 1 A 67 67 PRO C C 67 177.325 177.833 -0.508 1
1 520 . 11 1 1 A 67 67 PRO CA C 67 62.883 62.637 0.246 1
1 521 . 11 1 1 A 67 67 PRO CB C 67 32.692 32.773 -0.081 1
1 524 . 11 1 1 A 68 68 GLN H H 68 8.982 8.603 0.379 1
1 525 . 11 1 1 A 68 68 GLN HA H 68 3.791 3.991 -0.200 1
1 532 . 11 1 1 A 68 68 GLN C C 68 177.316 178.142 -0.826 1
1 533 . 11 1 1 A 68 68 GLN CA C 68 59.491 58.472 1.019 1
1 534 . 11 1 1 A 68 68 GLN CB C 68 27.882 28.020 -0.138 1
1 536 . 11 1 1 A 68 68 GLN N N 68 124.876 122.565 2.311 1
1 538 . 11 1 1 A 69 69 ALA H H 69 8.892 8.105 0.787 1
1 539 . 11 1 1 A 69 69 ALA HA H 69 4.100 4.063 0.037 1
1 543 . 11 1 1 A 69 69 ALA C C 69 180.347 179.628 0.719 1
1 544 . 11 1 1 A 69 69 ALA CA C 69 55.209 54.981 0.228 1
1 545 . 11 1 1 A 69 69 ALA CB C 69 18.097 18.230 -0.133 1
1 546 . 11 1 1 A 69 69 ALA N N 69 118.268 123.082 -4.814 1
1 547 . 11 1 1 A 70 70 ARG H H 70 7.020 7.614 -0.594 1
1 548 . 11 1 1 A 70 70 ARG HA H 70 4.234 4.074 0.160 1
1 555 . 11 1 1 A 70 70 ARG C C 70 176.438 178.659 -2.221 1
1 556 . 11 1 1 A 70 70 ARG CA C 70 58.791 59.158 -0.367 1
1 557 . 11 1 1 A 70 70 ARG CB C 70 29.544 29.818 -0.274 1
1 560 . 11 1 1 A 70 70 ARG N N 70 119.170 117.647 1.523 1
1 561 . 11 1 1 A 71 71 ARG H H 71 7.754 7.373 0.381 1
1 562 . 11 1 1 A 71 71 ARG HA H 71 3.807 4.173 -0.366 1
1 569 . 11 1 1 A 71 71 ARG C C 71 179.191 178.419 0.772 1
1 570 . 11 1 1 A 71 71 ARG CA C 71 59.782 59.041 0.741 1
1 571 . 11 1 1 A 71 71 ARG CB C 71 30.564 29.951 0.613 1
1 574 . 11 1 1 A 71 71 ARG N N 71 116.460 118.730 -2.270 1
1 575 . 11 1 1 A 72 72 GLU H H 72 8.062 8.016 0.046 1
1 576 . 11 1 1 A 72 72 GLU HA H 72 4.014 4.126 -0.112 1
1 581 . 11 1 1 A 72 72 GLU C C 72 177.357 178.973 -1.616 1
1 582 . 11 1 1 A 72 72 GLU CA C 72 57.860 59.311 -1.451 1
1 583 . 11 1 1 A 72 72 GLU CB C 72 29.978 29.505 0.473 1
1 585 . 11 1 1 A 72 72 GLU N N 72 114.904 118.383 -3.479 1
1 586 . 11 1 1 A 73 73 ALA H H 73 7.686 7.656 0.030 1
1 587 . 11 1 1 A 73 73 ALA HA H 73 4.199 4.131 0.068 1
1 591 . 11 1 1 A 73 73 ALA C C 73 178.246 177.603 0.643 1
1 592 . 11 1 1 A 73 73 ALA CA C 73 54.110 54.251 -0.141 1
1 593 . 11 1 1 A 73 73 ALA CB C 73 19.546 18.840 0.706 1
1 594 . 11 1 1 A 73 73 ALA N N 73 120.673 121.326 -0.653 1
1 595 . 11 1 1 A 74 74 ILE H H 74 7.609 7.721 -0.112 1
1 596 . 11 1 1 A 74 74 ILE HA H 74 4.318 4.512 -0.194 1
1 606 . 11 1 1 A 74 74 ILE CA C 74 57.722 57.971 -0.249 1
1 607 . 11 1 1 A 74 74 ILE CB C 74 38.313 39.560 -1.247 1
1 611 . 11 1 1 A 74 74 ILE N N 74 117.475 118.182 -0.707 1
1 612 . 11 1 1 A 75 75 PRO HA H 75 4.267 4.433 -0.166 1
1 619 . 11 1 1 A 75 75 PRO C C 75 179.050 177.697 1.353 1
1 620 . 11 1 1 A 75 75 PRO CA C 75 63.966 63.107 0.859 1
1 621 . 11 1 1 A 75 75 PRO CB C 75 31.409 30.176 1.233 1
1 624 . 11 1 1 A 76 76 GLY H H 76 8.594 8.594 0.000 1
1 625 . 11 1 1 A 76 76 GLY HA2 H 76 4.081 4.043 0.038 1
1 626 . 11 1 1 A 76 76 GLY HA3 H 76 3.402 4.043 -0.641 1
1 627 . 11 1 1 A 76 76 GLY C C 76 174.447 174.568 -0.121 1
1 628 . 11 1 1 A 76 76 GLY CA C 76 45.138 45.216 -0.078 1
1 629 . 11 1 1 A 76 76 GLY N N 76 113.042 112.865 0.177 1
1 630 . 11 1 1 A 77 77 VAL H H 77 8.185 7.518 0.667 1
1 631 . 11 1 1 A 77 77 VAL HA H 77 3.955 4.147 -0.192 1
1 639 . 11 1 1 A 77 77 VAL C C 77 173.122 175.829 -2.707 1
1 640 . 11 1 1 A 77 77 VAL CA C 77 63.160 62.034 1.126 1
1 641 . 11 1 1 A 77 77 VAL CB C 77 30.748 32.515 -1.767 1
1 644 . 11 1 1 A 77 77 VAL N N 77 124.214 120.291 3.923 1
1 645 . 11 1 1 A 78 78 ARG H H 78 8.635 8.749 -0.114 1
1 646 . 11 1 1 A 78 78 ARG HA H 78 4.547 4.727 -0.180 1
1 653 . 11 1 1 A 78 78 ARG C C 78 173.948 175.841 -1.893 1
1 654 . 11 1 1 A 78 78 ARG CA C 78 55.410 55.369 0.041 1
1 655 . 11 1 1 A 78 78 ARG CB C 78 33.618 31.429 2.189 1
1 658 . 11 1 1 A 78 78 ARG N N 78 121.505 124.752 -3.247 1
1 659 . 11 1 1 A 79 79 LEU H H 79 7.037 7.521 -0.484 1
1 660 . 11 1 1 A 79 79 LEU HA H 79 6.078 4.835 1.243 1
1 670 . 11 1 1 A 79 79 LEU C C 79 178.615 176.155 2.460 1
1 671 . 11 1 1 A 79 79 LEU CA C 79 52.286 53.090 -0.804 1
1 672 . 11 1 1 A 79 79 LEU CB C 79 46.763 45.856 0.907 1
1 676 . 11 1 1 A 79 79 LEU N N 79 116.511 120.536 -4.025 1
1 677 . 11 1 1 A 80 80 CYS H H 80 9.639 8.582 1.057 1
1 678 . 11 1 1 A 80 80 CYS HA H 80 4.595 4.585 0.010 1
1 681 . 11 1 1 A 80 80 CYS C C 80 174.898 175.410 -0.512 1
1 682 . 11 1 1 A 80 80 CYS CA C 80 57.983 58.698 -0.715 1
1 683 . 11 1 1 A 80 80 CYS CB C 80 31.306 29.362 1.944 1
1 684 . 11 1 1 A 80 80 CYS N N 80 121.517 122.813 -1.296 1
1 685 . 11 1 1 A 81 81 ILE H H 81 9.215 8.528 0.687 1
1 686 . 11 1 1 A 81 81 ILE HA H 81 3.836 3.854 -0.018 1
1 696 . 11 1 1 A 81 81 ILE C C 81 176.081 177.465 -1.384 1
1 697 . 11 1 1 A 81 81 ILE CA C 81 63.715 64.072 -0.357 1
1 698 . 11 1 1 A 81 81 ILE CB C 81 38.309 37.762 0.547 1
1 702 . 11 1 1 A 81 81 ILE N N 81 119.426 123.199 -3.773 1
1 703 . 11 1 1 A 82 82 HIS H H 82 7.439 7.767 -0.328 1
1 704 . 11 1 1 A 82 82 HIS HA H 82 4.354 4.307 0.047 1
1 709 . 11 1 1 A 82 82 HIS C C 82 178.603 178.237 0.366 1
1 710 . 11 1 1 A 82 82 HIS CA C 82 59.802 59.627 0.175 1
1 711 . 11 1 1 A 82 82 HIS CB C 82 30.164 29.822 0.342 1
1 714 . 11 1 1 A 82 82 HIS N N 82 122.605 119.567 3.038 1
1 715 . 11 1 1 A 83 83 CYS H H 83 8.960 8.224 0.736 1
1 716 . 11 1 1 A 83 83 CYS HA H 83 3.995 4.389 -0.394 1
1 719 . 11 1 1 A 83 83 CYS C C 83 178.676 176.970 1.706 1
1 720 . 11 1 1 A 83 83 CYS CA C 83 64.648 61.657 2.991 1
1 721 . 11 1 1 A 83 83 CYS CB C 83 29.618 26.804 2.814 1
1 722 . 11 1 1 A 83 83 CYS N N 83 124.742 117.919 6.823 1
1 723 . 11 1 1 A 84 84 GLN H H 84 8.525 8.055 0.470 1
1 724 . 11 1 1 A 84 84 GLN HA H 84 3.812 4.076 -0.264 1
1 731 . 11 1 1 A 84 84 GLN C C 84 177.478 177.901 -0.423 1
1 732 . 11 1 1 A 84 84 GLN CA C 84 58.750 58.848 -0.098 1
1 733 . 11 1 1 A 84 84 GLN CB C 84 28.372 28.481 -0.109 1
1 735 . 11 1 1 A 84 84 GLN N N 84 120.642 121.317 -0.675 1
1 737 . 11 1 1 A 85 85 GLN H H 85 8.100 8.270 -0.170 1
1 738 . 11 1 1 A 85 85 GLN HA H 85 4.117 4.062 0.055 1
1 745 . 11 1 1 A 85 85 GLN C C 85 178.483 177.757 0.726 1
1 746 . 11 1 1 A 85 85 GLN CA C 85 58.857 58.648 0.209 1
1 747 . 11 1 1 A 85 85 GLN CB C 85 28.261 28.649 -0.388 1
1 749 . 11 1 1 A 85 85 GLN N N 85 118.154 117.605 0.549 1
1 751 . 11 1 1 A 86 86 GLU H H 86 7.657 8.532 -0.875 1
1 752 . 11 1 1 A 86 86 GLU HA H 86 4.049 4.047 0.002 1
1 757 . 11 1 1 A 86 86 GLU C C 86 178.798 178.356 0.442 1
1 758 . 11 1 1 A 86 86 GLU CA C 86 58.852 59.351 -0.499 1
1 759 . 11 1 1 A 86 86 GLU CB C 86 29.716 29.062 0.654 1
1 761 . 11 1 1 A 86 86 GLU N N 86 118.055 118.638 -0.583 1
1 762 . 11 1 1 A 87 87 LYS H H 87 7.799 7.764 0.035 1
1 763 . 11 1 1 A 87 87 LYS HA H 87 4.056 4.145 -0.089 1
1 772 . 11 1 1 A 87 87 LYS C C 87 179.025 179.400 -0.375 1
1 773 . 11 1 1 A 87 87 LYS CA C 87 58.452 59.049 -0.597 1
1 774 . 11 1 1 A 87 87 LYS CB C 87 32.067 32.088 -0.021 1
1 778 . 11 1 1 A 87 87 LYS N N 87 119.741 119.116 0.625 1
1 779 . 11 1 1 A 88 88 ASP H H 88 8.300 8.114 0.186 1
1 780 . 11 1 1 A 88 88 ASP HA H 88 4.461 4.417 0.044 1
1 783 . 11 1 1 A 88 88 ASP C C 88 177.597 178.631 -1.034 1
1 784 . 11 1 1 A 88 88 ASP CA C 88 56.228 56.324 -0.096 1
1 785 . 11 1 1 A 88 88 ASP CB C 88 40.500 40.942 -0.442 1
1 786 . 11 1 1 A 88 88 ASP N N 88 119.700 119.612 0.088 1
1 787 . 11 1 1 A 89 89 LEU H H 89 7.672 7.702 -0.030 1
1 788 . 11 1 1 A 89 89 LEU HA H 89 4.227 4.016 0.211 1
1 798 . 11 1 1 A 89 89 LEU C C 89 177.757 179.372 -1.615 1
1 799 . 11 1 1 A 89 89 LEU CA C 89 55.938 57.981 -2.043 1
1 800 . 11 1 1 A 89 89 LEU CB C 89 42.267 41.151 1.116 1
1 804 . 11 1 1 A 89 89 LEU N N 89 119.729 119.152 0.577 1
1 805 . 11 1 1 A 90 90 GLN H H 90 7.823 7.579 0.244 1
1 806 . 11 1 1 A 90 90 GLN HA H 90 4.264 4.240 0.024 1
1 813 . 11 1 1 A 90 90 GLN C C 90 175.896 176.090 -0.194 1
1 814 . 11 1 1 A 90 90 GLN CA C 90 55.828 58.316 -2.488 1
1 815 . 11 1 1 A 90 90 GLN CB C 90 28.871 28.879 -0.008 1
1 817 . 11 1 1 A 90 90 GLN N N 90 118.133 117.392 0.741 1
1 819 . 11 1 1 A 91 91 LYS H H 91 8.016 7.273 0.743 1
1 820 . 11 1 1 A 91 91 LYS HA H 91 4.561 4.529 0.032 1
1 829 . 11 1 1 A 91 91 LYS CA C 91 54.567 54.885 -0.318 1
1 830 . 11 1 1 A 91 91 LYS CB C 91 32.373 32.509 -0.136 1
1 834 . 11 1 1 A 91 91 LYS N N 91 122.571 117.875 4.696 1
1 835 . 11 1 1 A 92 92 PRO HA H 92 4.372 4.293 0.079 1
1 842 . 11 1 1 A 92 92 PRO C C 92 176.665 176.529 0.136 1
1 843 . 11 1 1 A 92 92 PRO CA C 92 63.251 63.567 -0.316 1
1 844 . 11 1 1 A 92 92 PRO CB C 92 32.073 31.510 0.563 1
1 847 . 11 1 1 A 93 93 ALA H H 93 8.364 7.798 0.566 1
1 848 . 11 1 1 A 93 93 ALA HA H 93 4.245 3.957 0.288 1
1 852 . 11 1 1 A 93 93 ALA C C 93 177.504 175.770 1.734 1
1 853 . 11 1 1 A 93 93 ALA CA C 93 52.458 53.486 -1.028 1
1 854 . 11 1 1 A 93 93 ALA CB C 93 19.247 17.795 1.452 1
1 855 . 11 1 1 A 93 93 ALA N N 93 123.718 120.047 3.671 1
1 856 . 11 1 1 A 94 94 TYR H H 94 8.153 7.175 0.978 1
1 857 . 11 1 1 A 94 94 TYR HA H 94 4.626 5.086 -0.460 1
1 864 . 11 1 1 A 94 94 TYR C C 94 176.141 173.206 2.935 1
1 865 . 11 1 1 A 94 94 TYR CA C 94 57.859 56.201 1.658 1
1 866 . 11 1 1 A 94 94 TYR CB C 94 38.793 40.431 -1.638 1
1 871 . 11 1 1 A 94 94 TYR N N 94 119.293 111.910 7.383 1
1 872 . 11 1 1 A 95 95 THR H H 95 8.119 8.615 -0.496 1
1 873 . 11 1 1 A 95 95 THR HA H 95 4.286 4.938 -0.652 1
1 878 . 11 1 1 A 95 95 THR C C 95 174.813 175.003 -0.190 1
1 879 . 11 1 1 A 95 95 THR CA C 95 61.758 60.436 1.322 1
1 880 . 11 1 1 A 95 95 THR CB C 95 69.860 70.072 -0.212 1
1 882 . 11 1 1 A 95 95 THR N N 95 115.890 113.175 2.715 1
1 883 . 11 1 1 A 96 96 GLY H H 96 7.669 8.943 -1.274 1
1 884 . 11 1 1 A 96 96 GLY HA2 H 96 3.875 3.955 -0.080 1
1 885 . 11 1 1 A 96 96 GLY HA3 H 96 3.822 4.057 -0.235 1
1 886 . 11 1 1 A 96 96 GLY C C 96 173.774 175.617 -1.843 1
1 887 . 11 1 1 A 96 96 GLY CA C 96 45.320 47.219 -1.899 1
1 888 . 11 1 1 A 96 96 GLY N N 96 110.133 112.289 -2.156 1
1 889 . 11 1 1 A 97 97 TYR H H 97 8.028 7.832 0.196 1
1 890 . 11 1 1 A 97 97 TYR HA H 97 4.510 4.412 0.098 1
1 897 . 11 1 1 A 97 97 TYR CA C 97 58.115 59.149 -1.034 1
1 898 . 11 1 1 A 97 97 TYR CB C 97 38.769 39.632 -0.863 1
1 903 . 11 1 1 A 97 97 TYR N N 97 119.945 118.080 1.865 1
1 904 . 11 1 1 A 98 98 ASN HA H 98 4.641 4.562 0.079 1
1 909 . 11 1 1 A 98 98 ASN C C 98 174.882 173.292 1.590 1
1 910 . 11 1 1 A 98 98 ASN CA C 98 53.067 53.846 -0.779 1
1 911 . 11 1 1 A 98 98 ASN CB C 98 38.835 37.453 1.382 1
1 913 . 11 1 1 A 99 99 ARG H H 99 8.226 8.268 -0.042 1
1 914 . 11 1 1 A 99 99 ARG HA H 99 4.259 5.135 -0.876 1
1 921 . 11 1 1 A 99 99 ARG C C 99 176.406 174.081 2.325 1
1 922 . 11 1 1 A 99 99 ARG CA C 99 56.464 54.191 2.273 1
1 923 . 11 1 1 A 99 99 ARG CB C 99 30.588 33.874 -3.286 1
1 926 . 11 1 1 A 99 99 ARG N N 99 121.620 126.513 -4.893 1
1 927 . 11 1 1 A 100 100 ARG H H 100 8.398 8.589 -0.191 1
1 928 . 11 1 1 A 100 100 ARG N N 100 121.935 124.594 -2.659 1
1 929 . 11 1 1 A 101 101 GLY HA2 H 101 3.835 3.886 -0.051 1
1 930 . 11 1 1 A 101 101 GLY HA3 H 101 3.835 3.891 -0.056 1
1 931 . 11 1 1 A 101 101 GLY CA C 101 43.935 47.172 -3.237 1
1 932 . 11 1 1 A 102 102 SER HA H 102 4.460 4.568 -0.108 1
1 935 . 11 1 1 A 102 102 SER CA C 102 58.458 57.463 0.995 1
1 936 . 11 1 1 A 102 102 SER CB C 102 64.128 64.578 -0.450 1
1 937 . 11 1 1 A 103 103 LYS H H 103 8.524 8.068 0.456 1
1 938 . 11 1 1 A 103 103 LYS HA H 103 4.305 4.227 0.078 1
1 947 . 11 1 1 A 103 103 LYS CA C 103 56.788 56.885 -0.097 1
1 948 . 11 1 1 A 103 103 LYS CB C 103 32.766 33.028 -0.262 1
1 952 . 11 1 1 A 103 103 LYS N N 103 123.092 124.565 -1.473 1
1 953 . 11 1 1 A 104 104 ASP H H 104 8.316 8.918 -0.602 1
1 954 . 11 1 1 A 104 104 ASP HA H 104 4.612 4.250 0.362 1
1 957 . 11 1 1 A 104 104 ASP C C 104 176.493 176.436 0.057 1
1 958 . 11 1 1 A 104 104 ASP CA C 104 54.704 57.248 -2.544 1
1 959 . 11 1 1 A 104 104 ASP CB C 104 41.277 41.435 -0.158 1
1 960 . 11 1 1 A 104 104 ASP N N 104 120.807 129.331 -8.524 1
1 961 . 11 1 1 A 105 105 SER H H 105 8.215 7.728 0.487 1
1 962 . 11 1 1 A 105 105 SER HA H 105 4.390 4.589 -0.199 1
1 965 . 11 1 1 A 105 105 SER C C 105 174.659 173.878 0.781 1
1 966 . 11 1 1 A 105 105 SER CA C 105 58.889 59.572 -0.683 1
1 967 . 11 1 1 A 105 105 SER CB C 105 63.781 64.770 -0.989 1
1 968 . 11 1 1 A 105 105 SER N N 105 116.100 113.270 2.830 1
1 969 . 11 1 1 A 106 106 GLN H H 106 8.396 7.775 0.621 1
1 970 . 11 1 1 A 106 106 GLN HA H 106 4.344 4.235 0.109 1
1 977 . 11 1 1 A 106 106 GLN C C 106 175.746 175.269 0.477 1
1 978 . 11 1 1 A 106 106 GLN CA C 106 55.981 57.972 -1.991 1
1 979 . 11 1 1 A 106 106 GLN CB C 106 29.351 27.523 1.828 1
1 981 . 11 1 1 A 106 106 GLN N N 106 121.640 118.342 3.298 1
1 983 . 11 1 1 A 107 107 LEU H H 107 8.172 8.614 -0.442 1
1 984 . 11 1 1 A 107 107 LEU HA H 107 4.348 4.583 -0.235 1
1 994 . 11 1 1 A 107 107 LEU C C 107 176.328 176.401 -0.073 1
1 995 . 11 1 1 A 107 107 LEU CA C 107 55.385 54.549 0.836 1
1 996 . 11 1 1 A 107 107 LEU CB C 107 42.163 42.246 -0.083 1
1 1000 . 11 1 1 A 107 107 LEU N N 107 123.200 119.180 4.020 1
1 12 . 12 1 1 A 22 22 ALA H H 22 8.289 7.318 0.971 1
1 13 . 12 1 1 A 22 22 ALA HA H 22 4.277 4.244 0.033 1
1 17 . 12 1 1 A 22 22 ALA C C 22 177.730 176.366 1.364 1
1 18 . 12 1 1 A 22 22 ALA CA C 22 52.742 51.887 0.855 1
1 19 . 12 1 1 A 22 22 ALA CB C 22 19.263 17.924 1.339 1
1 20 . 12 1 1 A 22 22 ALA N N 22 125.042 124.232 0.810 1
1 21 . 12 1 1 A 23 23 SER H H 23 8.253 8.660 -0.407 1
1 22 . 12 1 1 A 23 23 SER HA H 23 4.374 4.978 -0.604 1
1 25 . 12 1 1 A 23 23 SER C C 23 175.066 174.060 1.006 1
1 26 . 12 1 1 A 23 23 SER CA C 23 58.670 57.944 0.726 1
1 27 . 12 1 1 A 23 23 SER CB C 23 63.822 66.225 -2.403 1
1 28 . 12 1 1 A 23 23 SER N N 23 114.713 118.586 -3.873 1
1 29 . 12 1 1 A 24 24 GLY H H 24 8.368 8.875 -0.507 1
1 30 . 12 1 1 A 24 24 GLY HA2 H 24 3.945 4.015 -0.070 1
1 31 . 12 1 1 A 24 24 GLY HA3 H 24 3.886 4.060 -0.174 1
1 32 . 12 1 1 A 24 24 GLY C C 24 173.906 175.186 -1.280 1
1 33 . 12 1 1 A 24 24 GLY CA C 24 45.410 45.871 -0.461 1
1 34 . 12 1 1 A 24 24 GLY N N 24 110.595 115.033 -4.438 1
1 35 . 12 1 1 A 25 25 TRP H H 25 7.961 8.370 -0.409 1
1 36 . 12 1 1 A 25 25 TRP HA H 25 4.632 4.594 0.038 1
1 45 . 12 1 1 A 25 25 TRP C C 25 175.880 176.738 -0.858 1
1 46 . 12 1 1 A 25 25 TRP CA C 25 57.289 58.091 -0.802 1
1 47 . 12 1 1 A 25 25 TRP CB C 25 29.725 30.358 -0.633 1
1 53 . 12 1 1 A 25 25 TRP N N 25 120.881 120.320 0.561 1
1 55 . 12 1 1 A 26 26 ALA H H 26 8.129 7.532 0.597 1
1 56 . 12 1 1 A 26 26 ALA HA H 26 4.222 4.316 -0.094 1
1 60 . 12 1 1 A 26 26 ALA C C 26 176.977 176.793 0.184 1
1 61 . 12 1 1 A 26 26 ALA CA C 26 52.345 52.895 -0.550 1
1 62 . 12 1 1 A 26 26 ALA CB C 26 19.414 20.117 -0.703 1
1 63 . 12 1 1 A 26 26 ALA N N 26 125.541 120.847 4.694 1
1 64 . 12 1 1 A 27 27 ASN H H 27 8.139 7.616 0.523 1
1 65 . 12 1 1 A 27 27 ASN HA H 27 4.581 4.696 -0.115 1
1 70 . 12 1 1 A 27 27 ASN C C 27 175.044 173.746 1.298 1
1 71 . 12 1 1 A 27 27 ASN CA C 27 53.260 52.309 0.951 1
1 72 . 12 1 1 A 27 27 ASN CB C 27 39.022 36.865 2.157 1
1 73 . 12 1 1 A 27 27 ASN N N 27 117.794 116.221 1.573 1
1 75 . 12 1 1 A 28 28 ASP H H 28 8.286 8.008 0.278 1
1 76 . 12 1 1 A 28 28 ASP HA H 28 4.581 4.938 -0.357 1
1 79 . 12 1 1 A 28 28 ASP C C 28 176.163 177.150 -0.987 1
1 80 . 12 1 1 A 28 28 ASP CA C 28 54.629 51.968 2.661 1
1 81 . 12 1 1 A 28 28 ASP CB C 28 41.129 43.850 -2.721 1
1 82 . 12 1 1 A 28 28 ASP N N 28 120.788 125.346 -4.558 1
1 83 . 12 1 1 A 29 29 ASP H H 29 8.287 8.840 -0.553 1
1 84 . 12 1 1 A 29 29 ASP HA H 29 4.546 4.320 0.226 1
1 87 . 12 1 1 A 29 29 ASP C C 29 176.359 177.944 -1.585 1
1 88 . 12 1 1 A 29 29 ASP CA C 29 54.883 56.848 -1.965 1
1 89 . 12 1 1 A 29 29 ASP CB C 29 41.050 39.852 1.198 1
1 90 . 12 1 1 A 29 29 ASP N N 29 120.641 123.204 -2.563 1
1 91 . 12 1 1 A 30 30 ALA H H 30 8.141 7.674 0.467 1
1 92 . 12 1 1 A 30 30 ALA HA H 30 4.278 4.116 0.162 1
1 96 . 12 1 1 A 30 30 ALA C C 30 178.218 178.468 -0.250 1
1 97 . 12 1 1 A 30 30 ALA CA C 30 53.006 54.284 -1.278 1
1 98 . 12 1 1 A 30 30 ALA CB C 30 19.115 18.162 0.953 1
1 99 . 12 1 1 A 30 30 ALA N N 30 123.561 121.461 2.100 1
1 100 . 12 1 1 A 31 31 VAL H H 31 7.996 7.542 0.454 1
1 101 . 12 1 1 A 31 31 VAL HA H 31 4.010 3.844 0.166 1
1 109 . 12 1 1 A 31 31 VAL C C 31 175.417 177.936 -2.519 1
1 110 . 12 1 1 A 31 31 VAL CA C 31 62.896 64.956 -2.060 1
1 111 . 12 1 1 A 31 31 VAL CB C 31 32.567 32.174 0.393 1
1 114 . 12 1 1 A 31 31 VAL N N 31 118.676 116.380 2.296 1
1 115 . 12 1 1 A 32 32 ASN H H 32 8.364 8.480 -0.116 1
1 116 . 12 1 1 A 32 32 ASN HA H 32 4.694 4.408 0.286 1
1 121 . 12 1 1 A 32 32 ASN C C 32 174.659 177.348 -2.689 1
1 122 . 12 1 1 A 32 32 ASN CA C 32 53.547 55.002 -1.455 1
1 123 . 12 1 1 A 32 32 ASN CB C 32 38.939 36.773 2.166 1
1 124 . 12 1 1 A 32 32 ASN N N 32 121.518 118.243 3.275 1
1 126 . 12 1 1 A 33 33 GLU H H 33 8.380 8.236 0.144 1
1 127 . 12 1 1 A 33 33 GLU HA H 33 4.240 4.024 0.216 1
1 132 . 12 1 1 A 33 33 GLU C C 33 176.641 177.898 -1.257 1
1 133 . 12 1 1 A 33 33 GLU CA C 33 57.074 58.541 -1.467 1
1 134 . 12 1 1 A 33 33 GLU CB C 33 30.212 28.102 2.110 1
1 136 . 12 1 1 A 33 33 GLU N N 33 121.497 119.801 1.696 1
1 137 . 12 1 1 A 34 34 GLN H H 34 8.333 7.663 0.670 1
1 138 . 12 1 1 A 34 34 GLN HA H 34 4.315 4.185 0.130 1
1 145 . 12 1 1 A 34 34 GLN C C 34 176.325 178.386 -2.061 1
1 146 . 12 1 1 A 34 34 GLN CA C 34 56.232 58.274 -2.042 1
1 147 . 12 1 1 A 34 34 GLN CB C 34 29.304 28.168 1.136 1
1 149 . 12 1 1 A 34 34 GLN N N 34 120.891 118.278 2.613 1
1 151 . 12 1 1 A 35 35 ILE H H 35 8.155 7.051 1.104 1
1 152 . 12 1 1 A 35 35 ILE HA H 35 4.116 3.994 0.122 1
1 162 . 12 1 1 A 35 35 ILE C C 35 176.203 176.311 -0.108 1
1 163 . 12 1 1 A 35 35 ILE CA C 35 61.645 64.747 -3.102 1
1 164 . 12 1 1 A 35 35 ILE CB C 35 38.640 37.945 0.695 1
1 168 . 12 1 1 A 35 35 ILE N N 35 121.784 117.619 4.165 1
1 169 . 12 1 1 A 36 36 ASN H H 36 8.504 7.632 0.872 1
1 170 . 12 1 1 A 36 36 ASN HA H 36 4.760 4.688 0.072 1
1 175 . 12 1 1 A 36 36 ASN C C 36 175.468 175.945 -0.477 1
1 176 . 12 1 1 A 36 36 ASN CA C 36 53.504 51.770 1.734 1
1 177 . 12 1 1 A 36 36 ASN CB C 36 38.947 39.566 -0.619 1
1 178 . 12 1 1 A 36 36 ASN N N 36 122.204 119.617 2.587 1
1 180 . 12 1 1 A 37 37 SER H H 37 8.380 8.351 0.029 1
1 181 . 12 1 1 A 37 37 SER HA H 37 4.505 4.970 -0.465 1
1 184 . 12 1 1 A 37 37 SER C C 37 174.990 175.738 -0.748 1
1 185 . 12 1 1 A 37 37 SER CA C 37 58.963 57.675 1.288 1
1 186 . 12 1 1 A 37 37 SER CB C 37 63.760 63.106 0.654 1
1 187 . 12 1 1 A 37 37 SER N N 37 116.788 113.812 2.976 1
1 188 . 12 1 1 A 38 38 THR H H 38 8.302 7.472 0.830 1
1 189 . 12 1 1 A 38 38 THR HA H 38 4.369 3.946 0.423 1
1 194 . 12 1 1 A 38 38 THR C C 38 175.437 176.772 -1.335 1
1 195 . 12 1 1 A 38 38 THR CA C 38 62.751 66.793 -4.042 1
1 196 . 12 1 1 A 38 38 THR CB C 38 69.838 67.930 1.908 1
1 198 . 12 1 1 A 38 38 THR N N 38 116.285 117.065 -0.780 1
1 199 . 12 1 1 A 39 39 ILE H H 39 8.153 8.075 0.078 1
1 200 . 12 1 1 A 39 39 ILE HA H 39 4.080 3.673 0.407 1
1 210 . 12 1 1 A 39 39 ILE C C 39 176.850 178.231 -1.381 1
1 211 . 12 1 1 A 39 39 ILE CA C 39 62.295 64.403 -2.108 1
1 212 . 12 1 1 A 39 39 ILE CB C 39 38.373 36.891 1.482 1
1 216 . 12 1 1 A 39 39 ILE N N 39 123.148 121.111 2.037 1
1 217 . 12 1 1 A 40 40 GLU H H 40 8.438 8.285 0.153 1
1 218 . 12 1 1 A 40 40 GLU HA H 40 4.146 4.125 0.021 1
1 223 . 12 1 1 A 40 40 GLU C C 40 177.573 178.909 -1.336 1
1 224 . 12 1 1 A 40 40 GLU CA C 40 58.026 58.799 -0.773 1
1 225 . 12 1 1 A 40 40 GLU CB C 40 29.870 29.421 0.449 1
1 227 . 12 1 1 A 40 40 GLU N N 40 123.184 120.715 2.469 1
1 228 . 12 1 1 A 41 41 ASP H H 41 8.295 8.077 0.218 1
1 229 . 12 1 1 A 41 41 ASP HA H 41 4.512 4.405 0.107 1
1 232 . 12 1 1 A 41 41 ASP C C 41 176.856 178.158 -1.302 1
1 233 . 12 1 1 A 41 41 ASP CA C 41 55.563 57.816 -2.253 1
1 234 . 12 1 1 A 41 41 ASP CB C 41 41.080 41.820 -0.740 1
1 235 . 12 1 1 A 41 41 ASP N N 41 121.311 121.043 0.268 1
1 236 . 12 1 1 A 42 42 ALA H H 42 8.098 7.741 0.357 1
1 237 . 12 1 1 A 42 42 ALA HA H 42 4.153 4.070 0.083 1
1 241 . 12 1 1 A 42 42 ALA C C 42 179.658 179.711 -0.053 1
1 242 . 12 1 1 A 42 42 ALA CA C 42 54.315 55.147 -0.832 1
1 243 . 12 1 1 A 42 42 ALA CB C 42 18.765 18.601 0.164 1
1 244 . 12 1 1 A 42 42 ALA N N 42 123.411 121.337 2.074 1
1 245 . 12 1 1 A 43 43 ILE H H 43 8.047 7.962 0.085 1
1 246 . 12 1 1 A 43 43 ILE HA H 43 3.904 3.626 0.278 1
1 256 . 12 1 1 A 43 43 ILE C C 43 176.603 177.826 -1.223 1
1 257 . 12 1 1 A 43 43 ILE CA C 43 63.028 65.403 -2.375 1
1 258 . 12 1 1 A 43 43 ILE CB C 43 38.140 37.777 0.363 1
1 262 . 12 1 1 A 43 43 ILE N N 43 119.853 117.564 2.289 1
1 263 . 12 1 1 A 44 44 ALA H H 44 8.072 8.167 -0.095 1
1 264 . 12 1 1 A 44 44 ALA HA H 44 4.162 3.983 0.179 1
1 268 . 12 1 1 A 44 44 ALA C C 44 179.414 179.310 0.104 1
1 269 . 12 1 1 A 44 44 ALA CA C 44 54.011 55.310 -1.299 1
1 270 . 12 1 1 A 44 44 ALA CB C 44 18.614 18.385 0.229 1
1 271 . 12 1 1 A 44 44 ALA N N 44 124.814 121.606 3.208 1
1 272 . 12 1 1 A 45 45 ARG H H 45 8.177 7.885 0.292 1
1 273 . 12 1 1 A 45 45 ARG HA H 45 4.187 4.242 -0.055 1
1 280 . 12 1 1 A 45 45 ARG C C 45 177.629 178.889 -1.260 1
1 281 . 12 1 1 A 45 45 ARG CA C 45 57.569 57.336 0.233 1
1 282 . 12 1 1 A 45 45 ARG CB C 45 30.600 30.588 0.012 1
1 285 . 12 1 1 A 45 45 ARG N N 45 118.718 116.206 2.512 1
1 286 . 12 1 1 A 46 46 ALA H H 46 8.004 7.485 0.519 1
1 287 . 12 1 1 A 46 46 ALA HA H 46 4.274 4.081 0.193 1
1 291 . 12 1 1 A 46 46 ALA C C 46 178.519 178.704 -0.185 1
1 292 . 12 1 1 A 46 46 ALA CA C 46 53.339 55.235 -1.896 1
1 293 . 12 1 1 A 46 46 ALA CB C 46 18.827 19.199 -0.372 1
1 294 . 12 1 1 A 46 46 ALA N N 46 123.416 123.052 0.364 1
1 295 . 12 1 1 A 47 47 ARG H H 47 8.082 7.498 0.584 1
1 296 . 12 1 1 A 47 47 ARG HA H 47 4.285 4.478 -0.193 1
1 303 . 12 1 1 A 47 47 ARG C C 47 177.103 176.646 0.457 1
1 304 . 12 1 1 A 47 47 ARG CA C 47 56.871 54.915 1.956 1
1 305 . 12 1 1 A 47 47 ARG CB C 47 30.655 30.539 0.116 1
1 308 . 12 1 1 A 47 47 ARG N N 47 118.672 112.765 5.907 1
1 309 . 12 1 1 A 48 48 GLY H H 48 8.160 7.947 0.213 1
1 310 . 12 1 1 A 48 48 GLY HA2 H 48 3.976 3.911 0.065 1
1 311 . 12 1 1 A 48 48 GLY HA3 H 48 3.976 3.912 0.064 1
1 312 . 12 1 1 A 48 48 GLY C C 48 174.015 175.054 -1.039 1
1 313 . 12 1 1 A 48 48 GLY CA C 48 45.337 46.622 -1.285 1
1 314 . 12 1 1 A 48 48 GLY N N 48 108.533 109.273 -0.740 1
1 315 . 12 1 1 A 49 49 GLU H H 49 8.113 7.985 0.128 1
1 316 . 12 1 1 A 49 49 GLU HA H 49 4.317 4.108 0.209 1
1 321 . 12 1 1 A 49 49 GLU C C 49 176.216 176.092 0.124 1
1 322 . 12 1 1 A 49 49 GLU CA C 49 56.125 58.741 -2.616 1
1 323 . 12 1 1 A 49 49 GLU CB C 49 30.497 30.542 -0.045 1
1 325 . 12 1 1 A 49 49 GLU N N 49 120.272 120.575 -0.303 1
1 326 . 12 1 1 A 50 50 ILE H H 50 8.203 8.148 0.055 1
1 327 . 12 1 1 A 50 50 ILE HA H 50 4.419 4.534 -0.115 1
1 337 . 12 1 1 A 50 50 ILE CA C 50 58.687 57.366 1.321 1
1 338 . 12 1 1 A 50 50 ILE CB C 50 38.623 39.900 -1.277 1
1 342 . 12 1 1 A 50 50 ILE N N 50 123.785 119.000 4.785 1
1 343 . 12 1 1 A 51 51 PRO HA H 51 4.414 4.665 -0.251 1
1 350 . 12 1 1 A 51 51 PRO C C 51 176.785 176.315 0.470 1
1 351 . 12 1 1 A 51 51 PRO CA C 51 63.188 62.316 0.872 1
1 352 . 12 1 1 A 51 51 PRO CB C 51 32.210 33.313 -1.103 1
1 355 . 12 1 1 A 52 52 ARG H H 52 8.545 8.772 -0.227 1
1 356 . 12 1 1 A 52 52 ARG HA H 52 4.300 4.371 -0.071 1
1 363 . 12 1 1 A 52 52 ARG C C 52 176.985 176.088 0.897 1
1 364 . 12 1 1 A 52 52 ARG CA C 52 56.493 55.433 1.060 1
1 365 . 12 1 1 A 52 52 ARG CB C 52 30.944 29.271 1.673 1
1 368 . 12 1 1 A 52 52 ARG N N 52 122.009 119.767 2.242 1
1 369 . 12 1 1 A 53 53 GLY H H 53 8.504 7.563 0.941 1
1 370 . 12 1 1 A 53 53 GLY HA2 H 53 3.995 3.981 0.014 1
1 371 . 12 1 1 A 53 53 GLY HA3 H 53 3.934 3.982 -0.048 1
1 372 . 12 1 1 A 53 53 GLY C C 53 173.562 174.238 -0.676 1
1 373 . 12 1 1 A 53 53 GLY CA C 53 44.990 46.069 -1.079 1
1 374 . 12 1 1 A 53 53 GLY N N 53 110.270 108.540 1.730 1
1 375 . 12 1 1 A 54 54 GLU H H 54 8.216 8.231 -0.015 1
1 376 . 12 1 1 A 54 54 GLU HA H 54 4.364 4.572 -0.208 1
1 381 . 12 1 1 A 54 54 GLU C C 54 177.145 176.108 1.037 1
1 382 . 12 1 1 A 54 54 GLU CA C 54 55.883 54.838 1.045 1
1 383 . 12 1 1 A 54 54 GLU CB C 54 30.696 30.222 0.474 1
1 385 . 12 1 1 A 54 54 GLU N N 54 119.939 119.364 0.575 1
1 386 . 12 1 1 A 55 55 SER H H 55 8.916 8.645 0.271 1
1 387 . 12 1 1 A 55 55 SER HA H 55 4.544 4.490 0.054 1
1 390 . 12 1 1 A 55 55 SER C C 55 174.434 174.384 0.050 1
1 391 . 12 1 1 A 55 55 SER CA C 55 58.592 58.094 0.498 1
1 392 . 12 1 1 A 55 55 SER CB C 55 63.662 63.174 0.488 1
1 393 . 12 1 1 A 55 55 SER N N 55 118.742 114.604 4.138 1
1 394 . 12 1 1 A 56 56 LEU H H 56 8.598 7.905 0.693 1
1 395 . 12 1 1 A 56 56 LEU HA H 56 4.343 4.589 -0.246 1
1 405 . 12 1 1 A 56 56 LEU C C 56 176.024 177.064 -1.040 1
1 406 . 12 1 1 A 56 56 LEU CA C 56 54.782 53.566 1.216 1
1 407 . 12 1 1 A 56 56 LEU CB C 56 42.106 43.631 -1.525 1
1 411 . 12 1 1 A 56 56 LEU N N 56 125.386 122.110 3.276 1
1 412 . 12 1 1 A 57 57 ASP H H 57 8.211 8.636 -0.425 1
1 413 . 12 1 1 A 57 57 ASP HA H 57 4.545 4.906 -0.361 1
1 416 . 12 1 1 A 57 57 ASP C C 57 176.869 175.678 1.191 1
1 417 . 12 1 1 A 57 57 ASP CA C 57 54.978 53.461 1.517 1
1 418 . 12 1 1 A 57 57 ASP CB C 57 41.477 41.591 -0.114 1
1 419 . 12 1 1 A 57 57 ASP N N 57 115.979 117.255 -1.276 1
1 420 . 12 1 1 A 58 58 GLU H H 58 7.469 7.646 -0.177 1
1 421 . 12 1 1 A 58 58 GLU HA H 58 4.717 4.687 0.030 1
1 426 . 12 1 1 A 58 58 GLU C C 58 174.081 175.164 -1.083 1
1 427 . 12 1 1 A 58 58 GLU CA C 58 54.280 54.792 -0.512 1
1 428 . 12 1 1 A 58 58 GLU CB C 58 32.995 32.300 0.695 1
1 430 . 12 1 1 A 58 58 GLU N N 58 118.912 118.440 0.472 1
1 431 . 12 1 1 A 59 59 CYS H H 59 9.364 8.728 0.636 1
1 432 . 12 1 1 A 59 59 CYS HA H 59 4.248 4.222 0.026 1
1 435 . 12 1 1 A 59 59 CYS C C 59 178.266 176.285 1.981 1
1 436 . 12 1 1 A 59 59 CYS CA C 59 59.782 60.186 -0.404 1
1 437 . 12 1 1 A 59 59 CYS CB C 59 31.041 28.809 2.232 1
1 438 . 12 1 1 A 59 59 CYS N N 59 124.760 125.166 -0.406 1
1 439 . 12 1 1 A 60 60 GLU H H 60 9.202 8.995 0.207 1
1 440 . 12 1 1 A 60 60 GLU HA H 60 4.202 4.064 0.138 1
1 445 . 12 1 1 A 60 60 GLU C C 60 175.834 177.884 -2.050 1
1 446 . 12 1 1 A 60 60 GLU CA C 60 58.503 58.615 -0.112 1
1 447 . 12 1 1 A 60 60 GLU CB C 60 30.041 28.915 1.126 1
1 449 . 12 1 1 A 60 60 GLU N N 60 130.690 127.166 3.524 1
1 450 . 12 1 1 A 61 61 GLU H H 61 8.751 7.608 1.143 1
1 451 . 12 1 1 A 61 61 GLU HA H 61 4.542 4.389 0.153 1
1 456 . 12 1 1 A 61 61 GLU C C 61 177.312 178.247 -0.935 1
1 457 . 12 1 1 A 61 61 GLU CA C 61 58.094 58.245 -0.151 1
1 458 . 12 1 1 A 61 61 GLU CB C 61 31.037 30.822 0.215 1
1 460 . 12 1 1 A 61 61 GLU N N 61 120.904 118.044 2.860 1
1 461 . 12 1 1 A 62 62 CYS H H 62 8.401 7.815 0.586 1
1 462 . 12 1 1 A 62 62 CYS HA H 62 5.014 4.630 0.384 1
1 465 . 12 1 1 A 62 62 CYS C C 62 177.324 175.613 1.711 1
1 466 . 12 1 1 A 62 62 CYS CA C 62 59.127 58.541 0.586 1
1 467 . 12 1 1 A 62 62 CYS CB C 62 33.355 29.346 4.009 1
1 468 . 12 1 1 A 62 62 CYS N N 62 117.947 113.873 4.074 1
1 469 . 12 1 1 A 63 63 GLY H H 63 8.048 7.983 0.065 1
1 470 . 12 1 1 A 63 63 GLY HA2 H 63 4.234 3.933 0.301 1
1 471 . 12 1 1 A 63 63 GLY HA3 H 63 3.820 3.936 -0.116 1
1 472 . 12 1 1 A 63 63 GLY C C 63 172.914 174.975 -2.061 1
1 473 . 12 1 1 A 63 63 GLY CA C 63 46.163 46.670 -0.507 1
1 474 . 12 1 1 A 63 63 GLY N N 63 113.407 111.480 1.927 1
1 475 . 12 1 1 A 64 64 ALA H H 64 9.148 8.027 1.121 1
1 476 . 12 1 1 A 64 64 ALA HA H 64 4.536 4.434 0.102 1
1 480 . 12 1 1 A 64 64 ALA CA C 64 51.510 50.709 0.801 1
1 481 . 12 1 1 A 64 64 ALA CB C 64 19.099 19.193 -0.094 1
1 482 . 12 1 1 A 64 64 ALA N N 64 127.297 123.512 3.785 1
1 483 . 12 1 1 A 65 65 PRO HA H 65 4.583 4.529 0.054 1
1 490 . 12 1 1 A 65 65 PRO C C 65 177.423 176.873 0.550 1
1 491 . 12 1 1 A 65 65 PRO CA C 65 63.020 63.048 -0.028 1
1 492 . 12 1 1 A 65 65 PRO CB C 65 31.832 31.650 0.182 1
1 495 . 12 1 1 A 66 66 ILE H H 66 8.053 8.186 -0.133 1
1 496 . 12 1 1 A 66 66 ILE HA H 66 4.330 4.244 0.086 1
1 506 . 12 1 1 A 66 66 ILE CA C 66 58.847 60.163 -1.316 1
1 507 . 12 1 1 A 66 66 ILE CB C 66 38.162 38.330 -0.168 1
1 511 . 12 1 1 A 66 66 ILE N N 66 125.090 124.180 0.910 1
1 512 . 12 1 1 A 67 67 PRO HA H 67 4.447 4.650 -0.203 1
1 519 . 12 1 1 A 67 67 PRO C C 67 177.325 177.790 -0.465 1
1 520 . 12 1 1 A 67 67 PRO CA C 67 62.883 62.566 0.317 1
1 521 . 12 1 1 A 67 67 PRO CB C 67 32.692 32.532 0.160 1
1 524 . 12 1 1 A 68 68 GLN H H 68 8.982 8.605 0.377 1
1 525 . 12 1 1 A 68 68 GLN HA H 68 3.791 3.962 -0.171 1
1 532 . 12 1 1 A 68 68 GLN C C 68 177.316 178.093 -0.777 1
1 533 . 12 1 1 A 68 68 GLN CA C 68 59.491 58.301 1.190 1
1 534 . 12 1 1 A 68 68 GLN CB C 68 27.882 28.088 -0.206 1
1 536 . 12 1 1 A 68 68 GLN N N 68 124.876 122.567 2.309 1
1 538 . 12 1 1 A 69 69 ALA H H 69 8.892 8.399 0.493 1
1 539 . 12 1 1 A 69 69 ALA HA H 69 4.100 4.014 0.086 1
1 543 . 12 1 1 A 69 69 ALA C C 69 180.347 179.748 0.599 1
1 544 . 12 1 1 A 69 69 ALA CA C 69 55.209 55.341 -0.132 1
1 545 . 12 1 1 A 69 69 ALA CB C 69 18.097 18.231 -0.134 1
1 546 . 12 1 1 A 69 69 ALA N N 69 118.268 123.214 -4.946 1
1 547 . 12 1 1 A 70 70 ARG H H 70 7.020 7.670 -0.650 1
1 548 . 12 1 1 A 70 70 ARG HA H 70 4.234 4.038 0.196 1
1 555 . 12 1 1 A 70 70 ARG C C 70 176.438 178.609 -2.171 1
1 556 . 12 1 1 A 70 70 ARG CA C 70 58.791 59.379 -0.588 1
1 557 . 12 1 1 A 70 70 ARG CB C 70 29.544 29.778 -0.234 1
1 560 . 12 1 1 A 70 70 ARG N N 70 119.170 117.590 1.580 1
1 561 . 12 1 1 A 71 71 ARG H H 71 7.754 7.757 -0.003 1
1 562 . 12 1 1 A 71 71 ARG HA H 71 3.807 4.125 -0.318 1
1 569 . 12 1 1 A 71 71 ARG C C 71 179.191 179.093 0.098 1
1 570 . 12 1 1 A 71 71 ARG CA C 71 59.782 59.466 0.316 1
1 571 . 12 1 1 A 71 71 ARG CB C 71 30.564 30.072 0.492 1
1 574 . 12 1 1 A 71 71 ARG N N 71 116.460 119.142 -2.682 1
1 575 . 12 1 1 A 72 72 GLU H H 72 8.062 8.117 -0.055 1
1 576 . 12 1 1 A 72 72 GLU HA H 72 4.014 4.098 -0.084 1
1 581 . 12 1 1 A 72 72 GLU C C 72 177.357 178.762 -1.405 1
1 582 . 12 1 1 A 72 72 GLU CA C 72 57.860 59.231 -1.371 1
1 583 . 12 1 1 A 72 72 GLU CB C 72 29.978 29.208 0.770 1
1 585 . 12 1 1 A 72 72 GLU N N 72 114.904 118.464 -3.560 1
1 586 . 12 1 1 A 73 73 ALA H H 73 7.686 7.504 0.182 1
1 587 . 12 1 1 A 73 73 ALA HA H 73 4.199 4.163 0.036 1
1 591 . 12 1 1 A 73 73 ALA C C 73 178.246 177.557 0.689 1
1 592 . 12 1 1 A 73 73 ALA CA C 73 54.110 54.664 -0.554 1
1 593 . 12 1 1 A 73 73 ALA CB C 73 19.546 19.096 0.450 1
1 594 . 12 1 1 A 73 73 ALA N N 73 120.673 121.147 -0.474 1
1 595 . 12 1 1 A 74 74 ILE H H 74 7.609 7.869 -0.260 1
1 596 . 12 1 1 A 74 74 ILE HA H 74 4.318 4.492 -0.174 1
1 606 . 12 1 1 A 74 74 ILE CA C 74 57.722 57.901 -0.179 1
1 607 . 12 1 1 A 74 74 ILE CB C 74 38.313 38.651 -0.338 1
1 611 . 12 1 1 A 74 74 ILE N N 74 117.475 118.076 -0.601 1
1 612 . 12 1 1 A 75 75 PRO HA H 75 4.267 4.422 -0.155 1
1 619 . 12 1 1 A 75 75 PRO C C 75 179.050 177.592 1.458 1
1 620 . 12 1 1 A 75 75 PRO CA C 75 63.966 63.036 0.930 1
1 621 . 12 1 1 A 75 75 PRO CB C 75 31.409 30.146 1.263 1
1 624 . 12 1 1 A 76 76 GLY H H 76 8.594 8.649 -0.055 1
1 625 . 12 1 1 A 76 76 GLY HA2 H 76 4.081 4.039 0.042 1
1 626 . 12 1 1 A 76 76 GLY HA3 H 76 3.402 4.040 -0.638 1
1 627 . 12 1 1 A 76 76 GLY C C 76 174.447 174.624 -0.177 1
1 628 . 12 1 1 A 76 76 GLY CA C 76 45.138 45.060 0.078 1
1 629 . 12 1 1 A 76 76 GLY N N 76 113.042 112.836 0.206 1
1 630 . 12 1 1 A 77 77 VAL H H 77 8.185 7.636 0.549 1
1 631 . 12 1 1 A 77 77 VAL HA H 77 3.955 4.096 -0.141 1
1 639 . 12 1 1 A 77 77 VAL C C 77 173.122 175.677 -2.555 1
1 640 . 12 1 1 A 77 77 VAL CA C 77 63.160 62.205 0.955 1
1 641 . 12 1 1 A 77 77 VAL CB C 77 30.748 32.627 -1.879 1
1 644 . 12 1 1 A 77 77 VAL N N 77 124.214 120.721 3.493 1
1 645 . 12 1 1 A 78 78 ARG H H 78 8.635 8.761 -0.126 1
1 646 . 12 1 1 A 78 78 ARG HA H 78 4.547 4.682 -0.135 1
1 653 . 12 1 1 A 78 78 ARG C C 78 173.948 175.715 -1.767 1
1 654 . 12 1 1 A 78 78 ARG CA C 78 55.410 55.383 0.027 1
1 655 . 12 1 1 A 78 78 ARG CB C 78 33.618 31.591 2.027 1
1 658 . 12 1 1 A 78 78 ARG N N 78 121.505 124.732 -3.227 1
1 659 . 12 1 1 A 79 79 LEU H H 79 7.037 7.520 -0.483 1
1 660 . 12 1 1 A 79 79 LEU HA H 79 6.078 4.801 1.277 1
1 670 . 12 1 1 A 79 79 LEU C C 79 178.615 176.509 2.106 1
1 671 . 12 1 1 A 79 79 LEU CA C 79 52.286 53.049 -0.763 1
1 672 . 12 1 1 A 79 79 LEU CB C 79 46.763 44.599 2.164 1
1 676 . 12 1 1 A 79 79 LEU N N 79 116.511 121.190 -4.679 1
1 677 . 12 1 1 A 80 80 CYS H H 80 9.639 8.422 1.217 1
1 678 . 12 1 1 A 80 80 CYS HA H 80 4.595 4.582 0.013 1
1 681 . 12 1 1 A 80 80 CYS C C 80 174.898 175.477 -0.579 1
1 682 . 12 1 1 A 80 80 CYS CA C 80 57.983 58.462 -0.479 1
1 683 . 12 1 1 A 80 80 CYS CB C 80 31.306 29.673 1.633 1
1 684 . 12 1 1 A 80 80 CYS N N 80 121.517 123.585 -2.068 1
1 685 . 12 1 1 A 81 81 ILE H H 81 9.215 8.561 0.654 1
1 686 . 12 1 1 A 81 81 ILE HA H 81 3.836 3.853 -0.017 1
1 696 . 12 1 1 A 81 81 ILE C C 81 176.081 177.481 -1.400 1
1 697 . 12 1 1 A 81 81 ILE CA C 81 63.715 64.281 -0.566 1
1 698 . 12 1 1 A 81 81 ILE CB C 81 38.309 37.738 0.571 1
1 702 . 12 1 1 A 81 81 ILE N N 81 119.426 122.764 -3.338 1
1 703 . 12 1 1 A 82 82 HIS H H 82 7.439 7.778 -0.339 1
1 704 . 12 1 1 A 82 82 HIS HA H 82 4.354 4.397 -0.043 1
1 709 . 12 1 1 A 82 82 HIS C C 82 178.603 178.442 0.161 1
1 710 . 12 1 1 A 82 82 HIS CA C 82 59.802 59.526 0.276 1
1 711 . 12 1 1 A 82 82 HIS CB C 82 30.164 29.495 0.669 1
1 714 . 12 1 1 A 82 82 HIS N N 82 122.605 119.367 3.238 1
1 715 . 12 1 1 A 83 83 CYS H H 83 8.960 7.985 0.975 1
1 716 . 12 1 1 A 83 83 CYS HA H 83 3.995 4.577 -0.582 1
1 719 . 12 1 1 A 83 83 CYS C C 83 178.676 177.061 1.615 1
1 720 . 12 1 1 A 83 83 CYS CA C 83 64.648 61.379 3.269 1
1 721 . 12 1 1 A 83 83 CYS CB C 83 29.618 26.506 3.112 1
1 722 . 12 1 1 A 83 83 CYS N N 83 124.742 117.670 7.072 1
1 723 . 12 1 1 A 84 84 GLN H H 84 8.525 8.112 0.413 1
1 724 . 12 1 1 A 84 84 GLN HA H 84 3.812 4.081 -0.269 1
1 731 . 12 1 1 A 84 84 GLN C C 84 177.478 178.451 -0.973 1
1 732 . 12 1 1 A 84 84 GLN CA C 84 58.750 58.799 -0.049 1
1 733 . 12 1 1 A 84 84 GLN CB C 84 28.372 28.979 -0.607 1
1 735 . 12 1 1 A 84 84 GLN N N 84 120.642 121.201 -0.559 1
1 737 . 12 1 1 A 85 85 GLN H H 85 8.100 7.993 0.107 1
1 738 . 12 1 1 A 85 85 GLN HA H 85 4.117 3.996 0.121 1
1 745 . 12 1 1 A 85 85 GLN C C 85 178.483 177.868 0.615 1
1 746 . 12 1 1 A 85 85 GLN CA C 85 58.857 58.598 0.259 1
1 747 . 12 1 1 A 85 85 GLN CB C 85 28.261 28.024 0.237 1
1 749 . 12 1 1 A 85 85 GLN N N 85 118.154 117.883 0.271 1
1 751 . 12 1 1 A 86 86 GLU H H 86 7.657 8.353 -0.696 1
1 752 . 12 1 1 A 86 86 GLU HA H 86 4.049 4.054 -0.005 1
1 757 . 12 1 1 A 86 86 GLU C C 86 178.798 178.922 -0.124 1
1 758 . 12 1 1 A 86 86 GLU CA C 86 58.852 59.373 -0.521 1
1 759 . 12 1 1 A 86 86 GLU CB C 86 29.716 29.260 0.456 1
1 761 . 12 1 1 A 86 86 GLU N N 86 118.055 119.540 -1.485 1
1 762 . 12 1 1 A 87 87 LYS H H 87 7.799 7.697 0.102 1
1 763 . 12 1 1 A 87 87 LYS HA H 87 4.056 4.123 -0.067 1
1 772 . 12 1 1 A 87 87 LYS C C 87 179.025 179.119 -0.094 1
1 773 . 12 1 1 A 87 87 LYS CA C 87 58.452 59.226 -0.774 1
1 774 . 12 1 1 A 87 87 LYS CB C 87 32.067 32.300 -0.233 1
1 778 . 12 1 1 A 87 87 LYS N N 87 119.741 119.949 -0.208 1
1 779 . 12 1 1 A 88 88 ASP H H 88 8.300 8.300 0.000 1
1 780 . 12 1 1 A 88 88 ASP HA H 88 4.461 4.384 0.077 1
1 783 . 12 1 1 A 88 88 ASP C C 88 177.597 178.109 -0.512 1
1 784 . 12 1 1 A 88 88 ASP CA C 88 56.228 57.064 -0.836 1
1 785 . 12 1 1 A 88 88 ASP CB C 88 40.500 42.114 -1.614 1
1 786 . 12 1 1 A 88 88 ASP N N 88 119.700 119.749 -0.049 1
1 787 . 12 1 1 A 89 89 LEU H H 89 7.672 8.106 -0.434 1
1 788 . 12 1 1 A 89 89 LEU HA H 89 4.227 4.036 0.191 1
1 798 . 12 1 1 A 89 89 LEU C C 89 177.757 178.599 -0.842 1
1 799 . 12 1 1 A 89 89 LEU CA C 89 55.938 56.894 -0.956 1
1 800 . 12 1 1 A 89 89 LEU CB C 89 42.267 41.605 0.662 1
1 804 . 12 1 1 A 89 89 LEU N N 89 119.729 118.697 1.032 1
1 805 . 12 1 1 A 90 90 GLN H H 90 7.823 7.425 0.398 1
1 806 . 12 1 1 A 90 90 GLN HA H 90 4.264 4.348 -0.084 1
1 813 . 12 1 1 A 90 90 GLN C C 90 175.896 176.337 -0.441 1
1 814 . 12 1 1 A 90 90 GLN CA C 90 55.828 56.193 -0.365 1
1 815 . 12 1 1 A 90 90 GLN CB C 90 28.871 29.373 -0.502 1
1 817 . 12 1 1 A 90 90 GLN N N 90 118.133 115.830 2.303 1
1 819 . 12 1 1 A 91 91 LYS H H 91 8.016 6.943 1.073 1
1 820 . 12 1 1 A 91 91 LYS HA H 91 4.561 4.378 0.183 1
1 829 . 12 1 1 A 91 91 LYS CA C 91 54.567 54.983 -0.416 1
1 830 . 12 1 1 A 91 91 LYS CB C 91 32.373 32.516 -0.143 1
1 834 . 12 1 1 A 91 91 LYS N N 91 122.571 120.816 1.755 1
1 835 . 12 1 1 A 92 92 PRO HA H 92 4.372 4.420 -0.048 1
1 842 . 12 1 1 A 92 92 PRO C C 92 176.665 176.668 -0.003 1
1 843 . 12 1 1 A 92 92 PRO CA C 92 63.251 63.508 -0.257 1
1 844 . 12 1 1 A 92 92 PRO CB C 92 32.073 32.285 -0.212 1
1 847 . 12 1 1 A 93 93 ALA H H 93 8.364 7.873 0.491 1
1 848 . 12 1 1 A 93 93 ALA HA H 93 4.245 3.969 0.276 1
1 852 . 12 1 1 A 93 93 ALA C C 93 177.504 175.971 1.533 1
1 853 . 12 1 1 A 93 93 ALA CA C 93 52.458 53.953 -1.495 1
1 854 . 12 1 1 A 93 93 ALA CB C 93 19.247 18.076 1.171 1
1 855 . 12 1 1 A 93 93 ALA N N 93 123.718 119.501 4.217 1
1 856 . 12 1 1 A 94 94 TYR H H 94 8.153 7.255 0.898 1
1 857 . 12 1 1 A 94 94 TYR HA H 94 4.626 4.724 -0.098 1
1 864 . 12 1 1 A 94 94 TYR C C 94 176.141 175.040 1.101 1
1 865 . 12 1 1 A 94 94 TYR CA C 94 57.859 56.415 1.444 1
1 866 . 12 1 1 A 94 94 TYR CB C 94 38.793 39.932 -1.139 1
1 871 . 12 1 1 A 94 94 TYR N N 94 119.293 112.519 6.774 1
1 872 . 12 1 1 A 95 95 THR H H 95 8.119 8.538 -0.419 1
1 873 . 12 1 1 A 95 95 THR HA H 95 4.286 4.442 -0.156 1
1 878 . 12 1 1 A 95 95 THR C C 95 174.813 176.075 -1.262 1
1 879 . 12 1 1 A 95 95 THR CA C 95 61.758 62.618 -0.860 1
1 880 . 12 1 1 A 95 95 THR CB C 95 69.860 70.078 -0.218 1
1 882 . 12 1 1 A 95 95 THR N N 95 115.890 112.804 3.086 1
1 883 . 12 1 1 A 96 96 GLY H H 96 7.669 8.318 -0.649 1
1 884 . 12 1 1 A 96 96 GLY HA2 H 96 3.875 4.035 -0.160 1
1 885 . 12 1 1 A 96 96 GLY HA3 H 96 3.822 4.161 -0.339 1
1 886 . 12 1 1 A 96 96 GLY C C 96 173.774 174.464 -0.690 1
1 887 . 12 1 1 A 96 96 GLY CA C 96 45.320 46.824 -1.504 1
1 888 . 12 1 1 A 96 96 GLY N N 96 110.133 111.174 -1.041 1
1 889 . 12 1 1 A 97 97 TYR H H 97 8.028 7.968 0.060 1
1 890 . 12 1 1 A 97 97 TYR HA H 97 4.510 4.588 -0.078 1
1 897 . 12 1 1 A 97 97 TYR CA C 97 58.115 57.244 0.871 1
1 898 . 12 1 1 A 97 97 TYR CB C 97 38.769 37.779 0.990 1
1 903 . 12 1 1 A 97 97 TYR N N 97 119.945 119.560 0.385 1
1 904 . 12 1 1 A 98 98 ASN HA H 98 4.641 5.005 -0.364 1
1 909 . 12 1 1 A 98 98 ASN C C 98 174.882 174.217 0.665 1
1 910 . 12 1 1 A 98 98 ASN CA C 98 53.067 52.735 0.332 1
1 911 . 12 1 1 A 98 98 ASN CB C 98 38.835 37.462 1.373 1
1 913 . 12 1 1 A 99 99 ARG H H 99 8.226 8.591 -0.365 1
1 914 . 12 1 1 A 99 99 ARG HA H 99 4.259 4.869 -0.610 1
1 921 . 12 1 1 A 99 99 ARG C C 99 176.406 175.636 0.770 1
1 922 . 12 1 1 A 99 99 ARG CA C 99 56.464 54.600 1.864 1
1 923 . 12 1 1 A 99 99 ARG CB C 99 30.588 31.041 -0.453 1
1 926 . 12 1 1 A 99 99 ARG N N 99 121.620 124.688 -3.068 1
1 927 . 12 1 1 A 100 100 ARG H H 100 8.398 8.518 -0.120 1
1 928 . 12 1 1 A 100 100 ARG N N 100 121.935 124.326 -2.391 1
1 929 . 12 1 1 A 101 101 GLY HA2 H 101 3.835 3.908 -0.073 1
1 930 . 12 1 1 A 101 101 GLY HA3 H 101 3.835 3.910 -0.075 1
1 931 . 12 1 1 A 101 101 GLY CA C 101 43.935 46.972 -3.037 1
1 932 . 12 1 1 A 102 102 SER HA H 102 4.460 4.763 -0.303 1
1 935 . 12 1 1 A 102 102 SER CA C 102 58.458 56.371 2.087 1
1 936 . 12 1 1 A 102 102 SER CB C 102 64.128 64.236 -0.108 1
1 937 . 12 1 1 A 103 103 LYS H H 103 8.524 8.815 -0.291 1
1 938 . 12 1 1 A 103 103 LYS HA H 103 4.305 4.066 0.239 1
1 947 . 12 1 1 A 103 103 LYS CA C 103 56.788 59.551 -2.763 1
1 948 . 12 1 1 A 103 103 LYS CB C 103 32.766 32.497 0.269 1
1 952 . 12 1 1 A 103 103 LYS N N 103 123.092 127.934 -4.842 1
1 953 . 12 1 1 A 104 104 ASP H H 104 8.316 7.683 0.633 1
1 954 . 12 1 1 A 104 104 ASP HA H 104 4.612 4.602 0.010 1
1 957 . 12 1 1 A 104 104 ASP C C 104 176.493 175.098 1.395 1
1 958 . 12 1 1 A 104 104 ASP CA C 104 54.704 54.366 0.338 1
1 959 . 12 1 1 A 104 104 ASP CB C 104 41.277 41.020 0.257 1
1 960 . 12 1 1 A 104 104 ASP N N 104 120.807 119.947 0.860 1
1 961 . 12 1 1 A 105 105 SER H H 105 8.215 8.609 -0.394 1
1 962 . 12 1 1 A 105 105 SER HA H 105 4.390 5.250 -0.860 1
1 965 . 12 1 1 A 105 105 SER C C 105 174.659 172.711 1.948 1
1 966 . 12 1 1 A 105 105 SER CA C 105 58.889 57.090 1.799 1
1 967 . 12 1 1 A 105 105 SER CB C 105 63.781 64.111 -0.330 1
1 968 . 12 1 1 A 105 105 SER N N 105 116.100 120.282 -4.182 1
1 969 . 12 1 1 A 106 106 GLN H H 106 8.396 8.933 -0.537 1
1 970 . 12 1 1 A 106 106 GLN HA H 106 4.344 4.893 -0.549 1
1 977 . 12 1 1 A 106 106 GLN C C 106 175.746 175.154 0.592 1
1 978 . 12 1 1 A 106 106 GLN CA C 106 55.981 54.576 1.405 1
1 979 . 12 1 1 A 106 106 GLN CB C 106 29.351 30.818 -1.467 1
1 981 . 12 1 1 A 106 106 GLN N N 106 121.640 125.652 -4.012 1
1 983 . 12 1 1 A 107 107 LEU H H 107 8.172 8.651 -0.479 1
1 984 . 12 1 1 A 107 107 LEU HA H 107 4.348 4.460 -0.112 1
1 994 . 12 1 1 A 107 107 LEU C C 107 176.328 176.433 -0.105 1
1 995 . 12 1 1 A 107 107 LEU CA C 107 55.385 54.225 1.160 1
1 996 . 12 1 1 A 107 107 LEU CB C 107 42.163 41.792 0.371 1
1 1000 . 12 1 1 A 107 107 LEU N N 107 123.200 123.393 -0.193 1
1 12 . 13 1 1 A 22 22 ALA H H 22 8.289 8.517 -0.228 1
1 13 . 13 1 1 A 22 22 ALA HA H 22 4.277 4.528 -0.251 1
1 17 . 13 1 1 A 22 22 ALA C C 22 177.730 176.777 0.953 1
1 18 . 13 1 1 A 22 22 ALA CA C 22 52.742 51.770 0.972 1
1 19 . 13 1 1 A 22 22 ALA CB C 22 19.263 18.537 0.726 1
1 20 . 13 1 1 A 22 22 ALA N N 22 125.042 127.332 -2.290 1
1 21 . 13 1 1 A 23 23 SER H H 23 8.253 8.403 -0.150 1
1 22 . 13 1 1 A 23 23 SER HA H 23 4.374 5.067 -0.693 1
1 25 . 13 1 1 A 23 23 SER C C 23 175.066 174.864 0.202 1
1 26 . 13 1 1 A 23 23 SER CA C 23 58.670 57.596 1.074 1
1 27 . 13 1 1 A 23 23 SER CB C 23 63.822 66.037 -2.215 1
1 28 . 13 1 1 A 23 23 SER N N 23 114.713 118.606 -3.893 1
1 29 . 13 1 1 A 24 24 GLY H H 24 8.368 8.670 -0.302 1
1 30 . 13 1 1 A 24 24 GLY HA2 H 24 3.945 3.868 0.077 1
1 31 . 13 1 1 A 24 24 GLY HA3 H 24 3.886 3.931 -0.045 1
1 32 . 13 1 1 A 24 24 GLY C C 24 173.906 175.503 -1.597 1
1 33 . 13 1 1 A 24 24 GLY CA C 24 45.410 46.609 -1.199 1
1 34 . 13 1 1 A 24 24 GLY N N 24 110.595 114.010 -3.415 1
1 35 . 13 1 1 A 25 25 TRP H H 25 7.961 7.813 0.148 1
1 36 . 13 1 1 A 25 25 TRP HA H 25 4.632 4.728 -0.096 1
1 45 . 13 1 1 A 25 25 TRP C C 25 175.880 177.073 -1.193 1
1 46 . 13 1 1 A 25 25 TRP CA C 25 57.289 58.344 -1.055 1
1 47 . 13 1 1 A 25 25 TRP CB C 25 29.725 30.257 -0.532 1
1 53 . 13 1 1 A 25 25 TRP N N 25 120.881 120.960 -0.079 1
1 55 . 13 1 1 A 26 26 ALA H H 26 8.129 7.410 0.719 1
1 56 . 13 1 1 A 26 26 ALA HA H 26 4.222 4.263 -0.041 1
1 60 . 13 1 1 A 26 26 ALA C C 26 176.977 176.845 0.132 1
1 61 . 13 1 1 A 26 26 ALA CA C 26 52.345 52.673 -0.328 1
1 62 . 13 1 1 A 26 26 ALA CB C 26 19.414 20.724 -1.310 1
1 63 . 13 1 1 A 26 26 ALA N N 26 125.541 119.962 5.579 1
1 64 . 13 1 1 A 27 27 ASN H H 27 8.139 6.925 1.214 1
1 65 . 13 1 1 A 27 27 ASN HA H 27 4.581 4.394 0.187 1
1 70 . 13 1 1 A 27 27 ASN C C 27 175.044 174.051 0.993 1
1 71 . 13 1 1 A 27 27 ASN CA C 27 53.260 52.642 0.618 1
1 72 . 13 1 1 A 27 27 ASN CB C 27 39.022 37.272 1.750 1
1 73 . 13 1 1 A 27 27 ASN N N 27 117.794 114.903 2.891 1
1 75 . 13 1 1 A 28 28 ASP H H 28 8.286 7.845 0.441 1
1 76 . 13 1 1 A 28 28 ASP HA H 28 4.581 4.956 -0.375 1
1 79 . 13 1 1 A 28 28 ASP C C 28 176.163 175.182 0.981 1
1 80 . 13 1 1 A 28 28 ASP CA C 28 54.629 53.368 1.261 1
1 81 . 13 1 1 A 28 28 ASP CB C 28 41.129 44.201 -3.072 1
1 82 . 13 1 1 A 28 28 ASP N N 28 120.788 122.945 -2.157 1
1 83 . 13 1 1 A 29 29 ASP H H 29 8.287 8.880 -0.593 1
1 84 . 13 1 1 A 29 29 ASP HA H 29 4.546 4.339 0.207 1
1 87 . 13 1 1 A 29 29 ASP C C 29 176.359 177.411 -1.052 1
1 88 . 13 1 1 A 29 29 ASP CA C 29 54.883 56.779 -1.896 1
1 89 . 13 1 1 A 29 29 ASP CB C 29 41.050 40.377 0.673 1
1 90 . 13 1 1 A 29 29 ASP N N 29 120.641 124.725 -4.084 1
1 91 . 13 1 1 A 30 30 ALA H H 30 8.141 7.691 0.450 1
1 92 . 13 1 1 A 30 30 ALA HA H 30 4.278 4.391 -0.113 1
1 96 . 13 1 1 A 30 30 ALA C C 30 178.218 178.787 -0.569 1
1 97 . 13 1 1 A 30 30 ALA CA C 30 53.006 54.341 -1.335 1
1 98 . 13 1 1 A 30 30 ALA CB C 30 19.115 18.312 0.803 1
1 99 . 13 1 1 A 30 30 ALA N N 30 123.561 121.157 2.404 1
1 100 . 13 1 1 A 31 31 VAL H H 31 7.996 7.514 0.482 1
1 101 . 13 1 1 A 31 31 VAL HA H 31 4.010 3.788 0.222 1
1 109 . 13 1 1 A 31 31 VAL C C 31 175.417 177.621 -2.204 1
1 110 . 13 1 1 A 31 31 VAL CA C 31 62.896 65.776 -2.880 1
1 111 . 13 1 1 A 31 31 VAL CB C 31 32.567 31.565 1.002 1
1 114 . 13 1 1 A 31 31 VAL N N 31 118.676 116.483 2.193 1
1 115 . 13 1 1 A 32 32 ASN H H 32 8.364 7.944 0.420 1
1 116 . 13 1 1 A 32 32 ASN HA H 32 4.694 4.355 0.339 1
1 121 . 13 1 1 A 32 32 ASN C C 32 174.659 177.455 -2.796 1
1 122 . 13 1 1 A 32 32 ASN CA C 32 53.547 56.788 -3.241 1
1 123 . 13 1 1 A 32 32 ASN CB C 32 38.939 38.720 0.219 1
1 124 . 13 1 1 A 32 32 ASN N N 32 121.518 118.983 2.535 1
1 126 . 13 1 1 A 33 33 GLU H H 33 8.380 8.591 -0.211 1
1 127 . 13 1 1 A 33 33 GLU HA H 33 4.240 4.117 0.123 1
1 132 . 13 1 1 A 33 33 GLU C C 33 176.641 177.698 -1.057 1
1 133 . 13 1 1 A 33 33 GLU CA C 33 57.074 58.336 -1.262 1
1 134 . 13 1 1 A 33 33 GLU CB C 33 30.212 27.839 2.373 1
1 136 . 13 1 1 A 33 33 GLU N N 33 121.497 117.013 4.484 1
1 137 . 13 1 1 A 34 34 GLN H H 34 8.333 8.048 0.285 1
1 138 . 13 1 1 A 34 34 GLN HA H 34 4.315 4.136 0.179 1
1 145 . 13 1 1 A 34 34 GLN C C 34 176.325 178.388 -2.063 1
1 146 . 13 1 1 A 34 34 GLN CA C 34 56.232 58.192 -1.960 1
1 147 . 13 1 1 A 34 34 GLN CB C 34 29.304 28.407 0.897 1
1 149 . 13 1 1 A 34 34 GLN N N 34 120.891 117.800 3.091 1
1 151 . 13 1 1 A 35 35 ILE H H 35 8.155 7.497 0.658 1
1 152 . 13 1 1 A 35 35 ILE HA H 35 4.116 3.888 0.228 1
1 162 . 13 1 1 A 35 35 ILE C C 35 176.203 176.738 -0.535 1
1 163 . 13 1 1 A 35 35 ILE CA C 35 61.645 64.704 -3.059 1
1 164 . 13 1 1 A 35 35 ILE CB C 35 38.640 38.033 0.607 1
1 168 . 13 1 1 A 35 35 ILE N N 35 121.784 117.873 3.911 1
1 169 . 13 1 1 A 36 36 ASN H H 36 8.504 7.891 0.613 1
1 170 . 13 1 1 A 36 36 ASN HA H 36 4.760 4.423 0.337 1
1 175 . 13 1 1 A 36 36 ASN C C 36 175.468 176.146 -0.678 1
1 176 . 13 1 1 A 36 36 ASN CA C 36 53.504 53.017 0.487 1
1 177 . 13 1 1 A 36 36 ASN CB C 36 38.947 39.489 -0.542 1
1 178 . 13 1 1 A 36 36 ASN N N 36 122.204 120.601 1.603 1
1 180 . 13 1 1 A 37 37 SER H H 37 8.380 8.757 -0.377 1
1 181 . 13 1 1 A 37 37 SER HA H 37 4.505 4.140 0.365 1
1 184 . 13 1 1 A 37 37 SER C C 37 174.990 173.940 1.050 1
1 185 . 13 1 1 A 37 37 SER CA C 37 58.963 60.671 -1.708 1
1 186 . 13 1 1 A 37 37 SER CB C 37 63.760 61.209 2.551 1
1 187 . 13 1 1 A 37 37 SER N N 37 116.788 114.719 2.069 1
1 188 . 13 1 1 A 38 38 THR H H 38 8.302 7.917 0.385 1
1 189 . 13 1 1 A 38 38 THR HA H 38 4.369 4.051 0.318 1
1 194 . 13 1 1 A 38 38 THR C C 38 175.437 176.828 -1.391 1
1 195 . 13 1 1 A 38 38 THR CA C 38 62.751 65.872 -3.121 1
1 196 . 13 1 1 A 38 38 THR CB C 38 69.838 69.229 0.609 1
1 198 . 13 1 1 A 38 38 THR N N 38 116.285 114.008 2.277 1
1 199 . 13 1 1 A 39 39 ILE H H 39 8.153 8.006 0.147 1
1 200 . 13 1 1 A 39 39 ILE HA H 39 4.080 3.564 0.516 1
1 210 . 13 1 1 A 39 39 ILE C C 39 176.850 178.577 -1.727 1
1 211 . 13 1 1 A 39 39 ILE CA C 39 62.295 65.731 -3.436 1
1 212 . 13 1 1 A 39 39 ILE CB C 39 38.373 37.828 0.545 1
1 216 . 13 1 1 A 39 39 ILE N N 39 123.148 121.010 2.138 1
1 217 . 13 1 1 A 40 40 GLU H H 40 8.438 8.378 0.060 1
1 218 . 13 1 1 A 40 40 GLU HA H 40 4.146 4.053 0.093 1
1 223 . 13 1 1 A 40 40 GLU C C 40 177.573 178.614 -1.041 1
1 224 . 13 1 1 A 40 40 GLU CA C 40 58.026 59.071 -1.045 1
1 225 . 13 1 1 A 40 40 GLU CB C 40 29.870 29.014 0.856 1
1 227 . 13 1 1 A 40 40 GLU N N 40 123.184 120.239 2.945 1
1 228 . 13 1 1 A 41 41 ASP H H 41 8.295 8.271 0.024 1
1 229 . 13 1 1 A 41 41 ASP HA H 41 4.512 4.368 0.144 1
1 232 . 13 1 1 A 41 41 ASP C C 41 176.856 178.278 -1.422 1
1 233 . 13 1 1 A 41 41 ASP CA C 41 55.563 57.782 -2.219 1
1 234 . 13 1 1 A 41 41 ASP CB C 41 41.080 41.270 -0.190 1
1 235 . 13 1 1 A 41 41 ASP N N 41 121.311 120.975 0.336 1
1 236 . 13 1 1 A 42 42 ALA H H 42 8.098 7.699 0.399 1
1 237 . 13 1 1 A 42 42 ALA HA H 42 4.153 4.099 0.054 1
1 241 . 13 1 1 A 42 42 ALA C C 42 179.658 180.446 -0.788 1
1 242 . 13 1 1 A 42 42 ALA CA C 42 54.315 55.058 -0.743 1
1 243 . 13 1 1 A 42 42 ALA CB C 42 18.765 18.241 0.524 1
1 244 . 13 1 1 A 42 42 ALA N N 42 123.411 121.206 2.205 1
1 245 . 13 1 1 A 43 43 ILE H H 43 8.047 7.359 0.688 1
1 246 . 13 1 1 A 43 43 ILE HA H 43 3.904 3.810 0.094 1
1 256 . 13 1 1 A 43 43 ILE C C 43 176.603 178.066 -1.463 1
1 257 . 13 1 1 A 43 43 ILE CA C 43 63.028 64.117 -1.089 1
1 258 . 13 1 1 A 43 43 ILE CB C 43 38.140 36.716 1.424 1
1 262 . 13 1 1 A 43 43 ILE N N 43 119.853 118.673 1.180 1
1 263 . 13 1 1 A 44 44 ALA H H 44 8.072 7.803 0.269 1
1 264 . 13 1 1 A 44 44 ALA HA H 44 4.162 4.083 0.079 1
1 268 . 13 1 1 A 44 44 ALA C C 44 179.414 179.325 0.089 1
1 269 . 13 1 1 A 44 44 ALA CA C 44 54.011 54.871 -0.860 1
1 270 . 13 1 1 A 44 44 ALA CB C 44 18.614 18.238 0.376 1
1 271 . 13 1 1 A 44 44 ALA N N 44 124.814 123.730 1.084 1
1 272 . 13 1 1 A 45 45 ARG H H 45 8.177 8.113 0.064 1
1 273 . 13 1 1 A 45 45 ARG HA H 45 4.187 4.207 -0.020 1
1 280 . 13 1 1 A 45 45 ARG C C 45 177.629 178.653 -1.024 1
1 281 . 13 1 1 A 45 45 ARG CA C 45 57.569 57.745 -0.176 1
1 282 . 13 1 1 A 45 45 ARG CB C 45 30.600 30.376 0.224 1
1 285 . 13 1 1 A 45 45 ARG N N 45 118.718 116.808 1.910 1
1 286 . 13 1 1 A 46 46 ALA H H 46 8.004 7.728 0.276 1
1 287 . 13 1 1 A 46 46 ALA HA H 46 4.274 4.212 0.062 1
1 291 . 13 1 1 A 46 46 ALA C C 46 178.519 178.124 0.395 1
1 292 . 13 1 1 A 46 46 ALA CA C 46 53.339 54.646 -1.307 1
1 293 . 13 1 1 A 46 46 ALA CB C 46 18.827 19.384 -0.557 1
1 294 . 13 1 1 A 46 46 ALA N N 46 123.416 122.265 1.151 1
1 295 . 13 1 1 A 47 47 ARG H H 47 8.082 7.565 0.517 1
1 296 . 13 1 1 A 47 47 ARG HA H 47 4.285 4.500 -0.215 1
1 303 . 13 1 1 A 47 47 ARG C C 47 177.103 176.491 0.612 1
1 304 . 13 1 1 A 47 47 ARG CA C 47 56.871 55.136 1.735 1
1 305 . 13 1 1 A 47 47 ARG CB C 47 30.655 31.849 -1.194 1
1 308 . 13 1 1 A 47 47 ARG N N 47 118.672 113.740 4.932 1
1 309 . 13 1 1 A 48 48 GLY H H 48 8.160 7.574 0.586 1
1 310 . 13 1 1 A 48 48 GLY HA2 H 48 3.976 3.932 0.044 1
1 311 . 13 1 1 A 48 48 GLY HA3 H 48 3.976 3.932 0.044 1
1 312 . 13 1 1 A 48 48 GLY C C 48 174.015 175.171 -1.156 1
1 313 . 13 1 1 A 48 48 GLY CA C 48 45.337 46.523 -1.186 1
1 314 . 13 1 1 A 48 48 GLY N N 48 108.533 109.532 -0.999 1
1 315 . 13 1 1 A 49 49 GLU H H 49 8.113 8.024 0.089 1
1 316 . 13 1 1 A 49 49 GLU HA H 49 4.317 4.032 0.285 1
1 321 . 13 1 1 A 49 49 GLU C C 49 176.216 177.158 -0.942 1
1 322 . 13 1 1 A 49 49 GLU CA C 49 56.125 59.243 -3.118 1
1 323 . 13 1 1 A 49 49 GLU CB C 49 30.497 29.699 0.798 1
1 325 . 13 1 1 A 49 49 GLU N N 49 120.272 120.469 -0.197 1
1 326 . 13 1 1 A 50 50 ILE H H 50 8.203 7.918 0.285 1
1 327 . 13 1 1 A 50 50 ILE HA H 50 4.419 4.211 0.208 1
1 337 . 13 1 1 A 50 50 ILE CA C 50 58.687 60.584 -1.897 1
1 338 . 13 1 1 A 50 50 ILE CB C 50 38.623 38.282 0.341 1
1 342 . 13 1 1 A 50 50 ILE N N 50 123.785 120.471 3.314 1
1 343 . 13 1 1 A 51 51 PRO HA H 51 4.414 4.665 -0.251 1
1 350 . 13 1 1 A 51 51 PRO C C 51 176.785 177.035 -0.250 1
1 351 . 13 1 1 A 51 51 PRO CA C 51 63.188 62.354 0.834 1
1 352 . 13 1 1 A 51 51 PRO CB C 51 32.210 33.134 -0.924 1
1 355 . 13 1 1 A 52 52 ARG H H 52 8.545 8.411 0.134 1
1 356 . 13 1 1 A 52 52 ARG HA H 52 4.300 4.182 0.118 1
1 363 . 13 1 1 A 52 52 ARG C C 52 176.985 177.065 -0.080 1
1 364 . 13 1 1 A 52 52 ARG CA C 52 56.493 55.665 0.828 1
1 365 . 13 1 1 A 52 52 ARG CB C 52 30.944 29.467 1.477 1
1 368 . 13 1 1 A 52 52 ARG N N 52 122.009 120.171 1.838 1
1 369 . 13 1 1 A 53 53 GLY H H 53 8.504 7.958 0.546 1
1 370 . 13 1 1 A 53 53 GLY HA2 H 53 3.995 3.943 0.052 1
1 371 . 13 1 1 A 53 53 GLY HA3 H 53 3.934 3.944 -0.010 1
1 372 . 13 1 1 A 53 53 GLY C C 53 173.562 174.642 -1.080 1
1 373 . 13 1 1 A 53 53 GLY CA C 53 44.990 45.758 -0.768 1
1 374 . 13 1 1 A 53 53 GLY N N 53 110.270 109.705 0.565 1
1 375 . 13 1 1 A 54 54 GLU H H 54 8.216 7.888 0.328 1
1 376 . 13 1 1 A 54 54 GLU HA H 54 4.364 4.572 -0.208 1
1 381 . 13 1 1 A 54 54 GLU C C 54 177.145 175.962 1.183 1
1 382 . 13 1 1 A 54 54 GLU CA C 54 55.883 54.480 1.403 1
1 383 . 13 1 1 A 54 54 GLU CB C 54 30.696 30.373 0.323 1
1 385 . 13 1 1 A 54 54 GLU N N 54 119.939 119.820 0.119 1
1 386 . 13 1 1 A 55 55 SER H H 55 8.916 8.708 0.208 1
1 387 . 13 1 1 A 55 55 SER HA H 55 4.544 4.481 0.063 1
1 390 . 13 1 1 A 55 55 SER C C 55 174.434 174.657 -0.223 1
1 391 . 13 1 1 A 55 55 SER CA C 55 58.592 57.942 0.650 1
1 392 . 13 1 1 A 55 55 SER CB C 55 63.662 63.784 -0.122 1
1 393 . 13 1 1 A 55 55 SER N N 55 118.742 114.576 4.166 1
1 394 . 13 1 1 A 56 56 LEU H H 56 8.598 8.057 0.541 1
1 395 . 13 1 1 A 56 56 LEU HA H 56 4.343 4.757 -0.414 1
1 405 . 13 1 1 A 56 56 LEU C C 56 176.024 176.793 -0.769 1
1 406 . 13 1 1 A 56 56 LEU CA C 56 54.782 52.832 1.950 1
1 407 . 13 1 1 A 56 56 LEU CB C 56 42.106 44.313 -2.207 1
1 411 . 13 1 1 A 56 56 LEU N N 56 125.386 120.346 5.040 1
1 412 . 13 1 1 A 57 57 ASP H H 57 8.211 8.613 -0.402 1
1 413 . 13 1 1 A 57 57 ASP HA H 57 4.545 4.904 -0.359 1
1 416 . 13 1 1 A 57 57 ASP C C 57 176.869 175.556 1.313 1
1 417 . 13 1 1 A 57 57 ASP CA C 57 54.978 53.426 1.552 1
1 418 . 13 1 1 A 57 57 ASP CB C 57 41.477 41.567 -0.090 1
1 419 . 13 1 1 A 57 57 ASP N N 57 115.979 117.972 -1.993 1
1 420 . 13 1 1 A 58 58 GLU H H 58 7.469 7.702 -0.233 1
1 421 . 13 1 1 A 58 58 GLU HA H 58 4.717 4.703 0.014 1
1 426 . 13 1 1 A 58 58 GLU C C 58 174.081 175.230 -1.149 1
1 427 . 13 1 1 A 58 58 GLU CA C 58 54.280 55.026 -0.746 1
1 428 . 13 1 1 A 58 58 GLU CB C 58 32.995 31.562 1.433 1
1 430 . 13 1 1 A 58 58 GLU N N 58 118.912 118.969 -0.057 1
1 431 . 13 1 1 A 59 59 CYS H H 59 9.364 8.645 0.719 1
1 432 . 13 1 1 A 59 59 CYS HA H 59 4.248 4.276 -0.028 1
1 435 . 13 1 1 A 59 59 CYS C C 59 178.266 176.302 1.964 1
1 436 . 13 1 1 A 59 59 CYS CA C 59 59.782 60.214 -0.432 1
1 437 . 13 1 1 A 59 59 CYS CB C 59 31.041 29.142 1.899 1
1 438 . 13 1 1 A 59 59 CYS N N 59 124.760 125.238 -0.478 1
1 439 . 13 1 1 A 60 60 GLU H H 60 9.202 8.794 0.408 1
1 440 . 13 1 1 A 60 60 GLU HA H 60 4.202 4.067 0.135 1
1 445 . 13 1 1 A 60 60 GLU C C 60 175.834 177.850 -2.016 1
1 446 . 13 1 1 A 60 60 GLU CA C 60 58.503 58.547 -0.044 1
1 447 . 13 1 1 A 60 60 GLU CB C 60 30.041 28.935 1.106 1
1 449 . 13 1 1 A 60 60 GLU N N 60 130.690 127.243 3.447 1
1 450 . 13 1 1 A 61 61 GLU H H 61 8.751 7.499 1.252 1
1 451 . 13 1 1 A 61 61 GLU HA H 61 4.542 4.326 0.216 1
1 456 . 13 1 1 A 61 61 GLU C C 61 177.312 178.104 -0.792 1
1 457 . 13 1 1 A 61 61 GLU CA C 61 58.094 58.493 -0.399 1
1 458 . 13 1 1 A 61 61 GLU CB C 61 31.037 30.654 0.383 1
1 460 . 13 1 1 A 61 61 GLU N N 61 120.904 118.595 2.309 1
1 461 . 13 1 1 A 62 62 CYS H H 62 8.401 7.478 0.923 1
1 462 . 13 1 1 A 62 62 CYS HA H 62 5.014 4.569 0.445 1
1 465 . 13 1 1 A 62 62 CYS C C 62 177.324 175.867 1.457 1
1 466 . 13 1 1 A 62 62 CYS CA C 62 59.127 58.448 0.679 1
1 467 . 13 1 1 A 62 62 CYS CB C 62 33.355 28.268 5.087 1
1 468 . 13 1 1 A 62 62 CYS N N 62 117.947 113.921 4.026 1
1 469 . 13 1 1 A 63 63 GLY H H 63 8.048 7.976 0.072 1
1 470 . 13 1 1 A 63 63 GLY HA2 H 63 4.234 3.930 0.304 1
1 471 . 13 1 1 A 63 63 GLY HA3 H 63 3.820 3.932 -0.112 1
1 472 . 13 1 1 A 63 63 GLY C C 63 172.914 174.893 -1.979 1
1 473 . 13 1 1 A 63 63 GLY CA C 63 46.163 46.675 -0.512 1
1 474 . 13 1 1 A 63 63 GLY N N 63 113.407 111.294 2.113 1
1 475 . 13 1 1 A 64 64 ALA H H 64 9.148 8.040 1.108 1
1 476 . 13 1 1 A 64 64 ALA HA H 64 4.536 4.433 0.103 1
1 480 . 13 1 1 A 64 64 ALA CA C 64 51.510 50.691 0.819 1
1 481 . 13 1 1 A 64 64 ALA CB C 64 19.099 19.089 0.010 1
1 482 . 13 1 1 A 64 64 ALA N N 64 127.297 123.502 3.795 1
1 483 . 13 1 1 A 65 65 PRO HA H 65 4.583 4.472 0.111 1
1 490 . 13 1 1 A 65 65 PRO C C 65 177.423 176.840 0.583 1
1 491 . 13 1 1 A 65 65 PRO CA C 65 63.020 63.054 -0.034 1
1 492 . 13 1 1 A 65 65 PRO CB C 65 31.832 31.621 0.211 1
1 495 . 13 1 1 A 66 66 ILE H H 66 8.053 8.268 -0.215 1
1 496 . 13 1 1 A 66 66 ILE HA H 66 4.330 4.252 0.078 1
1 506 . 13 1 1 A 66 66 ILE CA C 66 58.847 60.019 -1.172 1
1 507 . 13 1 1 A 66 66 ILE CB C 66 38.162 38.122 0.040 1
1 511 . 13 1 1 A 66 66 ILE N N 66 125.090 123.993 1.097 1
1 512 . 13 1 1 A 67 67 PRO HA H 67 4.447 4.604 -0.157 1
1 519 . 13 1 1 A 67 67 PRO C C 67 177.325 177.739 -0.414 1
1 520 . 13 1 1 A 67 67 PRO CA C 67 62.883 62.786 0.097 1
1 521 . 13 1 1 A 67 67 PRO CB C 67 32.692 32.685 0.007 1
1 524 . 13 1 1 A 68 68 GLN H H 68 8.982 8.611 0.371 1
1 525 . 13 1 1 A 68 68 GLN HA H 68 3.791 3.991 -0.200 1
1 532 . 13 1 1 A 68 68 GLN C C 68 177.316 178.063 -0.747 1
1 533 . 13 1 1 A 68 68 GLN CA C 68 59.491 58.321 1.170 1
1 534 . 13 1 1 A 68 68 GLN CB C 68 27.882 28.073 -0.191 1
1 536 . 13 1 1 A 68 68 GLN N N 68 124.876 122.156 2.720 1
1 538 . 13 1 1 A 69 69 ALA H H 69 8.892 8.274 0.618 1
1 539 . 13 1 1 A 69 69 ALA HA H 69 4.100 4.054 0.046 1
1 543 . 13 1 1 A 69 69 ALA C C 69 180.347 179.697 0.650 1
1 544 . 13 1 1 A 69 69 ALA CA C 69 55.209 55.301 -0.092 1
1 545 . 13 1 1 A 69 69 ALA CB C 69 18.097 18.250 -0.153 1
1 546 . 13 1 1 A 69 69 ALA N N 69 118.268 123.226 -4.958 1
1 547 . 13 1 1 A 70 70 ARG H H 70 7.020 7.878 -0.858 1
1 548 . 13 1 1 A 70 70 ARG HA H 70 4.234 4.080 0.154 1
1 555 . 13 1 1 A 70 70 ARG C C 70 176.438 178.679 -2.241 1
1 556 . 13 1 1 A 70 70 ARG CA C 70 58.791 59.163 -0.372 1
1 557 . 13 1 1 A 70 70 ARG CB C 70 29.544 29.744 -0.200 1
1 560 . 13 1 1 A 70 70 ARG N N 70 119.170 117.467 1.703 1
1 561 . 13 1 1 A 71 71 ARG H H 71 7.754 7.550 0.204 1
1 562 . 13 1 1 A 71 71 ARG HA H 71 3.807 4.165 -0.358 1
1 569 . 13 1 1 A 71 71 ARG C C 71 179.191 178.463 0.728 1
1 570 . 13 1 1 A 71 71 ARG CA C 71 59.782 59.312 0.470 1
1 571 . 13 1 1 A 71 71 ARG CB C 71 30.564 29.917 0.647 1
1 574 . 13 1 1 A 71 71 ARG N N 71 116.460 119.255 -2.795 1
1 575 . 13 1 1 A 72 72 GLU H H 72 8.062 8.066 -0.004 1
1 576 . 13 1 1 A 72 72 GLU HA H 72 4.014 4.126 -0.112 1
1 581 . 13 1 1 A 72 72 GLU C C 72 177.357 179.006 -1.649 1
1 582 . 13 1 1 A 72 72 GLU CA C 72 57.860 58.765 -0.905 1
1 583 . 13 1 1 A 72 72 GLU CB C 72 29.978 29.704 0.274 1
1 585 . 13 1 1 A 72 72 GLU N N 72 114.904 118.414 -3.510 1
1 586 . 13 1 1 A 73 73 ALA H H 73 7.686 7.709 -0.023 1
1 587 . 13 1 1 A 73 73 ALA HA H 73 4.199 4.156 0.043 1
1 591 . 13 1 1 A 73 73 ALA C C 73 178.246 177.613 0.633 1
1 592 . 13 1 1 A 73 73 ALA CA C 73 54.110 54.682 -0.572 1
1 593 . 13 1 1 A 73 73 ALA CB C 73 19.546 19.205 0.341 1
1 594 . 13 1 1 A 73 73 ALA N N 73 120.673 121.330 -0.657 1
1 595 . 13 1 1 A 74 74 ILE H H 74 7.609 7.873 -0.264 1
1 596 . 13 1 1 A 74 74 ILE HA H 74 4.318 4.493 -0.175 1
1 606 . 13 1 1 A 74 74 ILE CA C 74 57.722 57.915 -0.193 1
1 607 . 13 1 1 A 74 74 ILE CB C 74 38.313 39.729 -1.416 1
1 611 . 13 1 1 A 74 74 ILE N N 74 117.475 118.293 -0.818 1
1 612 . 13 1 1 A 75 75 PRO HA H 75 4.267 4.308 -0.041 1
1 619 . 13 1 1 A 75 75 PRO C C 75 179.050 177.761 1.289 1
1 620 . 13 1 1 A 75 75 PRO CA C 75 63.966 63.961 0.005 1
1 621 . 13 1 1 A 75 75 PRO CB C 75 31.409 31.412 -0.003 1
1 624 . 13 1 1 A 76 76 GLY H H 76 8.594 8.781 -0.187 1
1 625 . 13 1 1 A 76 76 GLY HA2 H 76 4.081 3.921 0.160 1
1 626 . 13 1 1 A 76 76 GLY HA3 H 76 3.402 3.921 -0.519 1
1 627 . 13 1 1 A 76 76 GLY C C 76 174.447 174.725 -0.278 1
1 628 . 13 1 1 A 76 76 GLY CA C 76 45.138 46.312 -1.174 1
1 629 . 13 1 1 A 76 76 GLY N N 76 113.042 112.769 0.273 1
1 630 . 13 1 1 A 77 77 VAL H H 77 8.185 7.577 0.608 1
1 631 . 13 1 1 A 77 77 VAL HA H 77 3.955 4.067 -0.112 1
1 639 . 13 1 1 A 77 77 VAL C C 77 173.122 175.647 -2.525 1
1 640 . 13 1 1 A 77 77 VAL CA C 77 63.160 62.314 0.846 1
1 641 . 13 1 1 A 77 77 VAL CB C 77 30.748 32.529 -1.781 1
1 644 . 13 1 1 A 77 77 VAL N N 77 124.214 119.950 4.264 1
1 645 . 13 1 1 A 78 78 ARG H H 78 8.635 8.761 -0.126 1
1 646 . 13 1 1 A 78 78 ARG HA H 78 4.547 4.682 -0.135 1
1 653 . 13 1 1 A 78 78 ARG C C 78 173.948 175.763 -1.815 1
1 654 . 13 1 1 A 78 78 ARG CA C 78 55.410 55.428 -0.018 1
1 655 . 13 1 1 A 78 78 ARG CB C 78 33.618 31.595 2.023 1
1 658 . 13 1 1 A 78 78 ARG N N 78 121.505 124.670 -3.165 1
1 659 . 13 1 1 A 79 79 LEU H H 79 7.037 7.531 -0.494 1
1 660 . 13 1 1 A 79 79 LEU HA H 79 6.078 4.803 1.275 1
1 670 . 13 1 1 A 79 79 LEU C C 79 178.615 176.430 2.185 1
1 671 . 13 1 1 A 79 79 LEU CA C 79 52.286 53.022 -0.736 1
1 672 . 13 1 1 A 79 79 LEU CB C 79 46.763 45.080 1.683 1
1 676 . 13 1 1 A 79 79 LEU N N 79 116.511 120.917 -4.406 1
1 677 . 13 1 1 A 80 80 CYS H H 80 9.639 8.417 1.222 1
1 678 . 13 1 1 A 80 80 CYS HA H 80 4.595 4.535 0.060 1
1 681 . 13 1 1 A 80 80 CYS C C 80 174.898 175.481 -0.583 1
1 682 . 13 1 1 A 80 80 CYS CA C 80 57.983 58.468 -0.485 1
1 683 . 13 1 1 A 80 80 CYS CB C 80 31.306 29.688 1.618 1
1 684 . 13 1 1 A 80 80 CYS N N 80 121.517 122.593 -1.076 1
1 685 . 13 1 1 A 81 81 ILE H H 81 9.215 8.534 0.681 1
1 686 . 13 1 1 A 81 81 ILE HA H 81 3.836 3.854 -0.018 1
1 696 . 13 1 1 A 81 81 ILE C C 81 176.081 177.358 -1.277 1
1 697 . 13 1 1 A 81 81 ILE CA C 81 63.715 64.279 -0.564 1
1 698 . 13 1 1 A 81 81 ILE CB C 81 38.309 37.792 0.517 1
1 702 . 13 1 1 A 81 81 ILE N N 81 119.426 122.690 -3.264 1
1 703 . 13 1 1 A 82 82 HIS H H 82 7.439 7.694 -0.255 1
1 704 . 13 1 1 A 82 82 HIS HA H 82 4.354 4.438 -0.084 1
1 709 . 13 1 1 A 82 82 HIS C C 82 178.603 178.459 0.144 1
1 710 . 13 1 1 A 82 82 HIS CA C 82 59.802 59.241 0.561 1
1 711 . 13 1 1 A 82 82 HIS CB C 82 30.164 29.805 0.359 1
1 714 . 13 1 1 A 82 82 HIS N N 82 122.605 119.118 3.487 1
1 715 . 13 1 1 A 83 83 CYS H H 83 8.960 8.019 0.941 1
1 716 . 13 1 1 A 83 83 CYS HA H 83 3.995 4.204 -0.209 1
1 719 . 13 1 1 A 83 83 CYS C C 83 178.676 177.373 1.303 1
1 720 . 13 1 1 A 83 83 CYS CA C 83 64.648 61.709 2.939 1
1 721 . 13 1 1 A 83 83 CYS CB C 83 29.618 26.410 3.208 1
1 722 . 13 1 1 A 83 83 CYS N N 83 124.742 117.908 6.834 1
1 723 . 13 1 1 A 84 84 GLN H H 84 8.525 8.045 0.480 1
1 724 . 13 1 1 A 84 84 GLN HA H 84 3.812 4.075 -0.263 1
1 731 . 13 1 1 A 84 84 GLN C C 84 177.478 178.305 -0.827 1
1 732 . 13 1 1 A 84 84 GLN CA C 84 58.750 58.913 -0.163 1
1 733 . 13 1 1 A 84 84 GLN CB C 84 28.372 28.657 -0.285 1
1 735 . 13 1 1 A 84 84 GLN N N 84 120.642 121.237 -0.595 1
1 737 . 13 1 1 A 85 85 GLN H H 85 8.100 7.954 0.146 1
1 738 . 13 1 1 A 85 85 GLN HA H 85 4.117 3.997 0.120 1
1 745 . 13 1 1 A 85 85 GLN C C 85 178.483 178.032 0.451 1
1 746 . 13 1 1 A 85 85 GLN CA C 85 58.857 58.662 0.195 1
1 747 . 13 1 1 A 85 85 GLN CB C 85 28.261 28.170 0.091 1
1 749 . 13 1 1 A 85 85 GLN N N 85 118.154 117.765 0.389 1
1 751 . 13 1 1 A 86 86 GLU H H 86 7.657 7.828 -0.171 1
1 752 . 13 1 1 A 86 86 GLU HA H 86 4.049 4.084 -0.035 1
1 757 . 13 1 1 A 86 86 GLU C C 86 178.798 178.233 0.565 1
1 758 . 13 1 1 A 86 86 GLU CA C 86 58.852 59.391 -0.539 1
1 759 . 13 1 1 A 86 86 GLU CB C 86 29.716 29.207 0.509 1
1 761 . 13 1 1 A 86 86 GLU N N 86 118.055 119.182 -1.127 1
1 762 . 13 1 1 A 87 87 LYS H H 87 7.799 7.941 -0.142 1
1 763 . 13 1 1 A 87 87 LYS HA H 87 4.056 4.165 -0.109 1
1 772 . 13 1 1 A 87 87 LYS C C 87 179.025 179.254 -0.229 1
1 773 . 13 1 1 A 87 87 LYS CA C 87 58.452 58.867 -0.415 1
1 774 . 13 1 1 A 87 87 LYS CB C 87 32.067 32.174 -0.107 1
1 778 . 13 1 1 A 87 87 LYS N N 87 119.741 119.226 0.515 1
1 779 . 13 1 1 A 88 88 ASP H H 88 8.300 8.296 0.004 1
1 780 . 13 1 1 A 88 88 ASP HA H 88 4.461 4.432 0.029 1
1 783 . 13 1 1 A 88 88 ASP C C 88 177.597 178.364 -0.767 1
1 784 . 13 1 1 A 88 88 ASP CA C 88 56.228 57.461 -1.233 1
1 785 . 13 1 1 A 88 88 ASP CB C 88 40.500 41.977 -1.477 1
1 786 . 13 1 1 A 88 88 ASP N N 88 119.700 119.679 0.021 1
1 787 . 13 1 1 A 89 89 LEU H H 89 7.672 8.088 -0.416 1
1 788 . 13 1 1 A 89 89 LEU HA H 89 4.227 4.058 0.169 1
1 798 . 13 1 1 A 89 89 LEU C C 89 177.757 177.739 0.018 1
1 799 . 13 1 1 A 89 89 LEU CA C 89 55.938 57.227 -1.289 1
1 800 . 13 1 1 A 89 89 LEU CB C 89 42.267 41.431 0.836 1
1 804 . 13 1 1 A 89 89 LEU N N 89 119.729 118.718 1.011 1
1 805 . 13 1 1 A 90 90 GLN H H 90 7.823 7.624 0.199 1
1 806 . 13 1 1 A 90 90 GLN HA H 90 4.264 4.403 -0.139 1
1 813 . 13 1 1 A 90 90 GLN C C 90 175.896 176.263 -0.367 1
1 814 . 13 1 1 A 90 90 GLN CA C 90 55.828 55.307 0.521 1
1 815 . 13 1 1 A 90 90 GLN CB C 90 28.871 29.619 -0.748 1
1 817 . 13 1 1 A 90 90 GLN N N 90 118.133 115.978 2.155 1
1 819 . 13 1 1 A 91 91 LYS H H 91 8.016 6.979 1.037 1
1 820 . 13 1 1 A 91 91 LYS HA H 91 4.561 4.377 0.184 1
1 829 . 13 1 1 A 91 91 LYS CA C 91 54.567 54.966 -0.399 1
1 830 . 13 1 1 A 91 91 LYS CB C 91 32.373 32.390 -0.017 1
1 834 . 13 1 1 A 91 91 LYS N N 91 122.571 120.550 2.021 1
1 835 . 13 1 1 A 92 92 PRO HA H 92 4.372 4.357 0.015 1
1 842 . 13 1 1 A 92 92 PRO C C 92 176.665 176.875 -0.210 1
1 843 . 13 1 1 A 92 92 PRO CA C 92 63.251 65.347 -2.096 1
1 844 . 13 1 1 A 92 92 PRO CB C 92 32.073 31.510 0.563 1
1 847 . 13 1 1 A 93 93 ALA H H 93 8.364 7.929 0.435 1
1 848 . 13 1 1 A 93 93 ALA HA H 93 4.245 4.004 0.241 1
1 852 . 13 1 1 A 93 93 ALA C C 93 177.504 175.524 1.980 1
1 853 . 13 1 1 A 93 93 ALA CA C 93 52.458 53.618 -1.160 1
1 854 . 13 1 1 A 93 93 ALA CB C 93 19.247 17.941 1.306 1
1 855 . 13 1 1 A 93 93 ALA N N 93 123.718 119.871 3.847 1
1 856 . 13 1 1 A 94 94 TYR H H 94 8.153 7.375 0.778 1
1 857 . 13 1 1 A 94 94 TYR HA H 94 4.626 5.324 -0.698 1
1 864 . 13 1 1 A 94 94 TYR C C 94 176.141 173.530 2.611 1
1 865 . 13 1 1 A 94 94 TYR CA C 94 57.859 55.830 2.029 1
1 866 . 13 1 1 A 94 94 TYR CB C 94 38.793 41.439 -2.646 1
1 871 . 13 1 1 A 94 94 TYR N N 94 119.293 112.813 6.480 1
1 872 . 13 1 1 A 95 95 THR H H 95 8.119 9.016 -0.897 1
1 873 . 13 1 1 A 95 95 THR HA H 95 4.286 5.168 -0.882 1
1 878 . 13 1 1 A 95 95 THR C C 95 174.813 174.225 0.588 1
1 879 . 13 1 1 A 95 95 THR CA C 95 61.758 60.729 1.029 1
1 880 . 13 1 1 A 95 95 THR CB C 95 69.860 69.882 -0.022 1
1 882 . 13 1 1 A 95 95 THR N N 95 115.890 113.158 2.732 1
1 883 . 13 1 1 A 96 96 GLY H H 96 7.669 9.170 -1.501 1
1 884 . 13 1 1 A 96 96 GLY HA2 H 96 3.875 4.161 -0.286 1
1 885 . 13 1 1 A 96 96 GLY HA3 H 96 3.822 4.435 -0.613 1
1 886 . 13 1 1 A 96 96 GLY C C 96 173.774 173.845 -0.071 1
1 887 . 13 1 1 A 96 96 GLY CA C 96 45.320 46.155 -0.835 1
1 888 . 13 1 1 A 96 96 GLY N N 96 110.133 112.891 -2.758 1
1 889 . 13 1 1 A 97 97 TYR H H 97 8.028 7.232 0.796 1
1 890 . 13 1 1 A 97 97 TYR HA H 97 4.510 5.267 -0.757 1
1 897 . 13 1 1 A 97 97 TYR CA C 97 58.115 55.533 2.582 1
1 898 . 13 1 1 A 97 97 TYR CB C 97 38.769 41.505 -2.736 1
1 903 . 13 1 1 A 97 97 TYR N N 97 119.945 117.717 2.228 1
1 904 . 13 1 1 A 98 98 ASN HA H 98 4.641 4.841 -0.200 1
1 909 . 13 1 1 A 98 98 ASN C C 98 174.882 173.747 1.135 1
1 910 . 13 1 1 A 98 98 ASN CA C 98 53.067 52.793 0.274 1
1 911 . 13 1 1 A 98 98 ASN CB C 98 38.835 36.575 2.260 1
1 913 . 13 1 1 A 99 99 ARG H H 99 8.226 7.992 0.234 1
1 914 . 13 1 1 A 99 99 ARG HA H 99 4.259 4.900 -0.641 1
1 921 . 13 1 1 A 99 99 ARG C C 99 176.406 174.337 2.069 1
1 922 . 13 1 1 A 99 99 ARG CA C 99 56.464 53.871 2.593 1
1 923 . 13 1 1 A 99 99 ARG CB C 99 30.588 34.783 -4.195 1
1 926 . 13 1 1 A 99 99 ARG N N 99 121.620 120.993 0.627 1
1 927 . 13 1 1 A 100 100 ARG H H 100 8.398 8.398 0.000 1
1 928 . 13 1 1 A 100 100 ARG N N 100 121.935 121.704 0.231 1
1 929 . 13 1 1 A 101 101 GLY HA2 H 101 3.835 3.914 -0.079 1
1 930 . 13 1 1 A 101 101 GLY HA3 H 101 3.835 3.952 -0.117 1
1 931 . 13 1 1 A 101 101 GLY CA C 101 43.935 44.990 -1.055 1
1 932 . 13 1 1 A 102 102 SER HA H 102 4.460 4.707 -0.247 1
1 935 . 13 1 1 A 102 102 SER CA C 102 58.458 55.709 2.749 1
1 936 . 13 1 1 A 102 102 SER CB C 102 64.128 65.312 -1.184 1
1 937 . 13 1 1 A 103 103 LYS H H 103 8.524 8.807 -0.283 1
1 938 . 13 1 1 A 103 103 LYS HA H 103 4.305 5.004 -0.699 1
1 947 . 13 1 1 A 103 103 LYS CA C 103 56.788 54.621 2.167 1
1 948 . 13 1 1 A 103 103 LYS CB C 103 32.766 35.991 -3.225 1
1 952 . 13 1 1 A 103 103 LYS N N 103 123.092 119.310 3.782 1
1 953 . 13 1 1 A 104 104 ASP H H 104 8.316 8.897 -0.581 1
1 954 . 13 1 1 A 104 104 ASP HA H 104 4.612 4.458 0.154 1
1 957 . 13 1 1 A 104 104 ASP C C 104 176.493 176.351 0.142 1
1 958 . 13 1 1 A 104 104 ASP CA C 104 54.704 55.260 -0.556 1
1 959 . 13 1 1 A 104 104 ASP CB C 104 41.277 41.307 -0.030 1
1 960 . 13 1 1 A 104 104 ASP N N 104 120.807 122.338 -1.531 1
1 961 . 13 1 1 A 105 105 SER H H 105 8.215 8.116 0.099 1
1 962 . 13 1 1 A 105 105 SER HA H 105 4.390 4.094 0.296 1
1 965 . 13 1 1 A 105 105 SER C C 105 174.659 173.162 1.497 1
1 966 . 13 1 1 A 105 105 SER CA C 105 58.889 59.589 -0.700 1
1 967 . 13 1 1 A 105 105 SER CB C 105 63.781 62.767 1.014 1
1 968 . 13 1 1 A 105 105 SER N N 105 116.100 114.278 1.822 1
1 969 . 13 1 1 A 106 106 GLN H H 106 8.396 8.033 0.363 1
1 970 . 13 1 1 A 106 106 GLN HA H 106 4.344 4.339 0.005 1
1 977 . 13 1 1 A 106 106 GLN C C 106 175.746 175.855 -0.109 1
1 978 . 13 1 1 A 106 106 GLN CA C 106 55.981 55.927 0.054 1
1 979 . 13 1 1 A 106 106 GLN CB C 106 29.351 29.098 0.253 1
1 981 . 13 1 1 A 106 106 GLN N N 106 121.640 120.871 0.769 1
1 983 . 13 1 1 A 107 107 LEU H H 107 8.172 8.493 -0.321 1
1 984 . 13 1 1 A 107 107 LEU HA H 107 4.348 4.376 -0.028 1
1 994 . 13 1 1 A 107 107 LEU C C 107 176.328 175.951 0.377 1
1 995 . 13 1 1 A 107 107 LEU CA C 107 55.385 54.292 1.093 1
1 996 . 13 1 1 A 107 107 LEU CB C 107 42.163 40.967 1.196 1
1 1000 . 13 1 1 A 107 107 LEU N N 107 123.200 123.224 -0.024 1
1 12 . 14 1 1 A 22 22 ALA H H 22 8.289 8.503 -0.214 1
1 13 . 14 1 1 A 22 22 ALA HA H 22 4.277 4.379 -0.102 1
1 17 . 14 1 1 A 22 22 ALA C C 22 177.730 175.669 2.061 1
1 18 . 14 1 1 A 22 22 ALA CA C 22 52.742 51.783 0.959 1
1 19 . 14 1 1 A 22 22 ALA CB C 22 19.263 19.159 0.104 1
1 20 . 14 1 1 A 22 22 ALA N N 22 125.042 129.135 -4.093 1
1 21 . 14 1 1 A 23 23 SER H H 23 8.253 8.676 -0.423 1
1 22 . 14 1 1 A 23 23 SER HA H 23 4.374 5.206 -0.832 1
1 25 . 14 1 1 A 23 23 SER C C 23 175.066 174.050 1.016 1
1 26 . 14 1 1 A 23 23 SER CA C 23 58.670 56.843 1.827 1
1 27 . 14 1 1 A 23 23 SER CB C 23 63.822 66.265 -2.443 1
1 28 . 14 1 1 A 23 23 SER N N 23 114.713 114.807 -0.094 1
1 29 . 14 1 1 A 24 24 GLY H H 24 8.368 8.761 -0.393 1
1 30 . 14 1 1 A 24 24 GLY HA2 H 24 3.945 4.067 -0.122 1
1 31 . 14 1 1 A 24 24 GLY HA3 H 24 3.886 4.106 -0.220 1
1 32 . 14 1 1 A 24 24 GLY C C 24 173.906 175.317 -1.411 1
1 33 . 14 1 1 A 24 24 GLY CA C 24 45.410 45.730 -0.320 1
1 34 . 14 1 1 A 24 24 GLY N N 24 110.595 112.895 -2.300 1
1 35 . 14 1 1 A 25 25 TRP H H 25 7.961 8.638 -0.677 1
1 36 . 14 1 1 A 25 25 TRP HA H 25 4.632 4.393 0.239 1
1 45 . 14 1 1 A 25 25 TRP C C 25 175.880 177.056 -1.176 1
1 46 . 14 1 1 A 25 25 TRP CA C 25 57.289 59.943 -2.654 1
1 47 . 14 1 1 A 25 25 TRP CB C 25 29.725 28.245 1.480 1
1 53 . 14 1 1 A 25 25 TRP N N 25 120.881 120.968 -0.087 1
1 55 . 14 1 1 A 26 26 ALA H H 26 8.129 7.114 1.015 1
1 56 . 14 1 1 A 26 26 ALA HA H 26 4.222 4.275 -0.053 1
1 60 . 14 1 1 A 26 26 ALA C C 26 176.977 177.611 -0.634 1
1 61 . 14 1 1 A 26 26 ALA CA C 26 52.345 52.689 -0.344 1
1 62 . 14 1 1 A 26 26 ALA CB C 26 19.414 20.377 -0.963 1
1 63 . 14 1 1 A 26 26 ALA N N 26 125.541 120.691 4.850 1
1 64 . 14 1 1 A 27 27 ASN H H 27 8.139 7.833 0.306 1
1 65 . 14 1 1 A 27 27 ASN HA H 27 4.581 4.472 0.109 1
1 70 . 14 1 1 A 27 27 ASN C C 27 175.044 175.776 -0.732 1
1 71 . 14 1 1 A 27 27 ASN CA C 27 53.260 52.639 0.621 1
1 72 . 14 1 1 A 27 27 ASN CB C 27 39.022 37.539 1.483 1
1 73 . 14 1 1 A 27 27 ASN N N 27 117.794 113.778 4.016 1
1 75 . 14 1 1 A 28 28 ASP H H 28 8.286 7.803 0.483 1
1 76 . 14 1 1 A 28 28 ASP HA H 28 4.581 4.358 0.223 1
1 79 . 14 1 1 A 28 28 ASP C C 28 176.163 176.857 -0.694 1
1 80 . 14 1 1 A 28 28 ASP CA C 28 54.629 56.681 -2.052 1
1 81 . 14 1 1 A 28 28 ASP CB C 28 41.129 41.132 -0.003 1
1 82 . 14 1 1 A 28 28 ASP N N 28 120.788 119.992 0.796 1
1 83 . 14 1 1 A 29 29 ASP H H 29 8.287 7.961 0.326 1
1 84 . 14 1 1 A 29 29 ASP HA H 29 4.546 4.910 -0.364 1
1 87 . 14 1 1 A 29 29 ASP C C 29 176.359 177.211 -0.852 1
1 88 . 14 1 1 A 29 29 ASP CA C 29 54.883 55.710 -0.827 1
1 89 . 14 1 1 A 29 29 ASP CB C 29 41.050 42.913 -1.863 1
1 90 . 14 1 1 A 29 29 ASP N N 29 120.641 117.674 2.967 1
1 91 . 14 1 1 A 30 30 ALA H H 30 8.141 8.302 -0.161 1
1 92 . 14 1 1 A 30 30 ALA HA H 30 4.278 4.165 0.113 1
1 96 . 14 1 1 A 30 30 ALA C C 30 178.218 178.378 -0.160 1
1 97 . 14 1 1 A 30 30 ALA CA C 30 53.006 54.303 -1.297 1
1 98 . 14 1 1 A 30 30 ALA CB C 30 19.115 18.319 0.796 1
1 99 . 14 1 1 A 30 30 ALA N N 30 123.561 122.483 1.078 1
1 100 . 14 1 1 A 31 31 VAL H H 31 7.996 7.533 0.463 1
1 101 . 14 1 1 A 31 31 VAL HA H 31 4.010 3.949 0.061 1
1 109 . 14 1 1 A 31 31 VAL C C 31 175.417 177.457 -2.040 1
1 110 . 14 1 1 A 31 31 VAL CA C 31 62.896 64.814 -1.918 1
1 111 . 14 1 1 A 31 31 VAL CB C 31 32.567 32.285 0.282 1
1 114 . 14 1 1 A 31 31 VAL N N 31 118.676 115.958 2.718 1
1 115 . 14 1 1 A 32 32 ASN H H 32 8.364 8.249 0.115 1
1 116 . 14 1 1 A 32 32 ASN HA H 32 4.694 4.396 0.298 1
1 121 . 14 1 1 A 32 32 ASN C C 32 174.659 177.388 -2.729 1
1 122 . 14 1 1 A 32 32 ASN CA C 32 53.547 56.314 -2.767 1
1 123 . 14 1 1 A 32 32 ASN CB C 32 38.939 39.257 -0.318 1
1 124 . 14 1 1 A 32 32 ASN N N 32 121.518 119.031 2.487 1
1 126 . 14 1 1 A 33 33 GLU H H 33 8.380 8.387 -0.007 1
1 127 . 14 1 1 A 33 33 GLU HA H 33 4.240 4.068 0.172 1
1 132 . 14 1 1 A 33 33 GLU C C 33 176.641 178.215 -1.574 1
1 133 . 14 1 1 A 33 33 GLU CA C 33 57.074 59.476 -2.402 1
1 134 . 14 1 1 A 33 33 GLU CB C 33 30.212 29.297 0.915 1
1 136 . 14 1 1 A 33 33 GLU N N 33 121.497 117.045 4.452 1
1 137 . 14 1 1 A 34 34 GLN H H 34 8.333 7.474 0.859 1
1 138 . 14 1 1 A 34 34 GLN HA H 34 4.315 4.393 -0.078 1
1 145 . 14 1 1 A 34 34 GLN C C 34 176.325 178.895 -2.570 1
1 146 . 14 1 1 A 34 34 GLN CA C 34 56.232 58.270 -2.038 1
1 147 . 14 1 1 A 34 34 GLN CB C 34 29.304 28.300 1.004 1
1 149 . 14 1 1 A 34 34 GLN N N 34 120.891 118.529 2.362 1
1 151 . 14 1 1 A 35 35 ILE H H 35 8.155 7.557 0.598 1
1 152 . 14 1 1 A 35 35 ILE HA H 35 4.116 3.925 0.191 1
1 162 . 14 1 1 A 35 35 ILE C C 35 176.203 177.003 -0.800 1
1 163 . 14 1 1 A 35 35 ILE CA C 35 61.645 64.163 -2.518 1
1 164 . 14 1 1 A 35 35 ILE CB C 35 38.640 37.400 1.240 1
1 168 . 14 1 1 A 35 35 ILE N N 35 121.784 121.607 0.177 1
1 169 . 14 1 1 A 36 36 ASN H H 36 8.504 7.851 0.653 1
1 170 . 14 1 1 A 36 36 ASN HA H 36 4.760 4.866 -0.106 1
1 175 . 14 1 1 A 36 36 ASN C C 36 175.468 176.198 -0.730 1
1 176 . 14 1 1 A 36 36 ASN CA C 36 53.504 53.408 0.096 1
1 177 . 14 1 1 A 36 36 ASN CB C 36 38.947 39.116 -0.169 1
1 178 . 14 1 1 A 36 36 ASN N N 36 122.204 118.697 3.507 1
1 180 . 14 1 1 A 37 37 SER H H 37 8.380 7.935 0.445 1
1 181 . 14 1 1 A 37 37 SER HA H 37 4.505 4.794 -0.289 1
1 184 . 14 1 1 A 37 37 SER C C 37 174.990 174.982 0.008 1
1 185 . 14 1 1 A 37 37 SER CA C 37 58.963 58.897 0.066 1
1 186 . 14 1 1 A 37 37 SER CB C 37 63.760 62.628 1.132 1
1 187 . 14 1 1 A 37 37 SER N N 37 116.788 114.430 2.358 1
1 188 . 14 1 1 A 38 38 THR H H 38 8.302 7.653 0.649 1
1 189 . 14 1 1 A 38 38 THR HA H 38 4.369 4.024 0.345 1
1 194 . 14 1 1 A 38 38 THR C C 38 175.437 176.876 -1.439 1
1 195 . 14 1 1 A 38 38 THR CA C 38 62.751 66.686 -3.935 1
1 196 . 14 1 1 A 38 38 THR CB C 38 69.838 68.249 1.589 1
1 198 . 14 1 1 A 38 38 THR N N 38 116.285 116.002 0.283 1
1 199 . 14 1 1 A 39 39 ILE H H 39 8.153 8.115 0.038 1
1 200 . 14 1 1 A 39 39 ILE HA H 39 4.080 3.566 0.514 1
1 210 . 14 1 1 A 39 39 ILE C C 39 176.850 177.971 -1.121 1
1 211 . 14 1 1 A 39 39 ILE CA C 39 62.295 65.629 -3.334 1
1 212 . 14 1 1 A 39 39 ILE CB C 39 38.373 37.868 0.505 1
1 216 . 14 1 1 A 39 39 ILE N N 39 123.148 121.360 1.788 1
1 217 . 14 1 1 A 40 40 GLU H H 40 8.438 8.516 -0.078 1
1 218 . 14 1 1 A 40 40 GLU HA H 40 4.146 4.159 -0.013 1
1 223 . 14 1 1 A 40 40 GLU C C 40 177.573 178.812 -1.239 1
1 224 . 14 1 1 A 40 40 GLU CA C 40 58.026 58.233 -0.207 1
1 225 . 14 1 1 A 40 40 GLU CB C 40 29.870 28.799 1.071 1
1 227 . 14 1 1 A 40 40 GLU N N 40 123.184 120.371 2.813 1
1 228 . 14 1 1 A 41 41 ASP H H 41 8.295 7.888 0.407 1
1 229 . 14 1 1 A 41 41 ASP HA H 41 4.512 4.388 0.124 1
1 232 . 14 1 1 A 41 41 ASP C C 41 176.856 178.020 -1.164 1
1 233 . 14 1 1 A 41 41 ASP CA C 41 55.563 57.261 -1.698 1
1 234 . 14 1 1 A 41 41 ASP CB C 41 41.080 40.866 0.214 1
1 235 . 14 1 1 A 41 41 ASP N N 41 121.311 121.425 -0.114 1
1 236 . 14 1 1 A 42 42 ALA H H 42 8.098 7.630 0.468 1
1 237 . 14 1 1 A 42 42 ALA HA H 42 4.153 4.109 0.044 1
1 241 . 14 1 1 A 42 42 ALA C C 42 179.658 179.961 -0.303 1
1 242 . 14 1 1 A 42 42 ALA CA C 42 54.315 54.918 -0.603 1
1 243 . 14 1 1 A 42 42 ALA CB C 42 18.765 18.335 0.430 1
1 244 . 14 1 1 A 42 42 ALA N N 42 123.411 120.733 2.678 1
1 245 . 14 1 1 A 43 43 ILE H H 43 8.047 7.754 0.293 1
1 246 . 14 1 1 A 43 43 ILE HA H 43 3.904 3.794 0.110 1
1 256 . 14 1 1 A 43 43 ILE C C 43 176.603 178.157 -1.554 1
1 257 . 14 1 1 A 43 43 ILE CA C 43 63.028 64.287 -1.259 1
1 258 . 14 1 1 A 43 43 ILE CB C 43 38.140 37.161 0.979 1
1 262 . 14 1 1 A 43 43 ILE N N 43 119.853 119.232 0.621 1
1 263 . 14 1 1 A 44 44 ALA H H 44 8.072 7.866 0.206 1
1 264 . 14 1 1 A 44 44 ALA HA H 44 4.162 4.062 0.100 1
1 268 . 14 1 1 A 44 44 ALA C C 44 179.414 179.859 -0.445 1
1 269 . 14 1 1 A 44 44 ALA CA C 44 54.011 55.190 -1.179 1
1 270 . 14 1 1 A 44 44 ALA CB C 44 18.614 18.082 0.532 1
1 271 . 14 1 1 A 44 44 ALA N N 44 124.814 123.013 1.801 1
1 272 . 14 1 1 A 45 45 ARG H H 45 8.177 8.102 0.075 1
1 273 . 14 1 1 A 45 45 ARG HA H 45 4.187 4.116 0.071 1
1 280 . 14 1 1 A 45 45 ARG C C 45 177.629 177.983 -0.354 1
1 281 . 14 1 1 A 45 45 ARG CA C 45 57.569 58.300 -0.731 1
1 282 . 14 1 1 A 45 45 ARG CB C 45 30.600 29.387 1.213 1
1 285 . 14 1 1 A 45 45 ARG N N 45 118.718 116.483 2.235 1
1 286 . 14 1 1 A 46 46 ALA H H 46 8.004 7.763 0.241 1
1 287 . 14 1 1 A 46 46 ALA HA H 46 4.274 4.468 -0.194 1
1 291 . 14 1 1 A 46 46 ALA C C 46 178.519 178.773 -0.254 1
1 292 . 14 1 1 A 46 46 ALA CA C 46 53.339 53.558 -0.219 1
1 293 . 14 1 1 A 46 46 ALA CB C 46 18.827 20.059 -1.232 1
1 294 . 14 1 1 A 46 46 ALA N N 46 123.416 121.481 1.935 1
1 295 . 14 1 1 A 47 47 ARG H H 47 8.082 7.861 0.221 1
1 296 . 14 1 1 A 47 47 ARG HA H 47 4.285 4.325 -0.040 1
1 303 . 14 1 1 A 47 47 ARG C C 47 177.103 177.098 0.005 1
1 304 . 14 1 1 A 47 47 ARG CA C 47 56.871 55.447 1.424 1
1 305 . 14 1 1 A 47 47 ARG CB C 47 30.655 30.831 -0.176 1
1 308 . 14 1 1 A 47 47 ARG N N 47 118.672 112.933 5.739 1
1 309 . 14 1 1 A 48 48 GLY H H 48 8.160 7.453 0.707 1
1 310 . 14 1 1 A 48 48 GLY HA2 H 48 3.976 3.966 0.010 1
1 311 . 14 1 1 A 48 48 GLY HA3 H 48 3.976 3.966 0.010 1
1 312 . 14 1 1 A 48 48 GLY C C 48 174.015 174.433 -0.418 1
1 313 . 14 1 1 A 48 48 GLY CA C 48 45.337 45.807 -0.470 1
1 314 . 14 1 1 A 48 48 GLY N N 48 108.533 108.978 -0.445 1
1 315 . 14 1 1 A 49 49 GLU H H 49 8.113 8.139 -0.026 1
1 316 . 14 1 1 A 49 49 GLU HA H 49 4.317 4.516 -0.199 1
1 321 . 14 1 1 A 49 49 GLU C C 49 176.216 176.418 -0.202 1
1 322 . 14 1 1 A 49 49 GLU CA C 49 56.125 57.706 -1.581 1
1 323 . 14 1 1 A 49 49 GLU CB C 49 30.497 32.225 -1.728 1
1 325 . 14 1 1 A 49 49 GLU N N 49 120.272 123.333 -3.061 1
1 326 . 14 1 1 A 50 50 ILE H H 50 8.203 7.669 0.534 1
1 327 . 14 1 1 A 50 50 ILE HA H 50 4.419 4.225 0.194 1
1 337 . 14 1 1 A 50 50 ILE CA C 50 58.687 60.513 -1.826 1
1 338 . 14 1 1 A 50 50 ILE CB C 50 38.623 37.853 0.770 1
1 342 . 14 1 1 A 50 50 ILE N N 50 123.785 120.883 2.902 1
1 343 . 14 1 1 A 51 51 PRO HA H 51 4.414 4.695 -0.281 1
1 350 . 14 1 1 A 51 51 PRO C C 51 176.785 176.815 -0.030 1
1 351 . 14 1 1 A 51 51 PRO CA C 51 63.188 62.219 0.969 1
1 352 . 14 1 1 A 51 51 PRO CB C 51 32.210 33.126 -0.916 1
1 355 . 14 1 1 A 52 52 ARG H H 52 8.545 8.702 -0.157 1
1 356 . 14 1 1 A 52 52 ARG HA H 52 4.300 4.319 -0.019 1
1 363 . 14 1 1 A 52 52 ARG C C 52 176.985 177.731 -0.746 1
1 364 . 14 1 1 A 52 52 ARG CA C 52 56.493 57.544 -1.051 1
1 365 . 14 1 1 A 52 52 ARG CB C 52 30.944 29.374 1.570 1
1 368 . 14 1 1 A 52 52 ARG N N 52 122.009 119.910 2.099 1
1 369 . 14 1 1 A 53 53 GLY H H 53 8.504 8.299 0.205 1
1 370 . 14 1 1 A 53 53 GLY HA2 H 53 3.995 3.696 0.299 1
1 371 . 14 1 1 A 53 53 GLY HA3 H 53 3.934 3.697 0.237 1
1 372 . 14 1 1 A 53 53 GLY C C 53 173.562 175.604 -2.042 1
1 373 . 14 1 1 A 53 53 GLY CA C 53 44.990 46.960 -1.970 1
1 374 . 14 1 1 A 53 53 GLY N N 53 110.270 109.772 0.498 1
1 375 . 14 1 1 A 54 54 GLU H H 54 8.216 7.993 0.223 1
1 376 . 14 1 1 A 54 54 GLU HA H 54 4.364 4.245 0.119 1
1 381 . 14 1 1 A 54 54 GLU C C 54 177.145 176.501 0.644 1
1 382 . 14 1 1 A 54 54 GLU CA C 54 55.883 58.597 -2.714 1
1 383 . 14 1 1 A 54 54 GLU CB C 54 30.696 29.798 0.898 1
1 385 . 14 1 1 A 54 54 GLU N N 54 119.939 121.369 -1.430 1
1 386 . 14 1 1 A 55 55 SER H H 55 8.916 7.604 1.312 1
1 387 . 14 1 1 A 55 55 SER HA H 55 4.544 4.481 0.063 1
1 390 . 14 1 1 A 55 55 SER C C 55 174.434 174.559 -0.125 1
1 391 . 14 1 1 A 55 55 SER CA C 55 58.592 57.616 0.976 1
1 392 . 14 1 1 A 55 55 SER CB C 55 63.662 63.746 -0.084 1
1 393 . 14 1 1 A 55 55 SER N N 55 118.742 114.163 4.579 1
1 394 . 14 1 1 A 56 56 LEU H H 56 8.598 8.146 0.452 1
1 395 . 14 1 1 A 56 56 LEU HA H 56 4.343 4.655 -0.312 1
1 405 . 14 1 1 A 56 56 LEU C C 56 176.024 176.271 -0.247 1
1 406 . 14 1 1 A 56 56 LEU CA C 56 54.782 53.380 1.402 1
1 407 . 14 1 1 A 56 56 LEU CB C 56 42.106 43.264 -1.158 1
1 411 . 14 1 1 A 56 56 LEU N N 56 125.386 121.823 3.563 1
1 412 . 14 1 1 A 57 57 ASP H H 57 8.211 9.059 -0.848 1
1 413 . 14 1 1 A 57 57 ASP HA H 57 4.545 4.743 -0.198 1
1 416 . 14 1 1 A 57 57 ASP C C 57 176.869 175.049 1.820 1
1 417 . 14 1 1 A 57 57 ASP CA C 57 54.978 53.997 0.981 1
1 418 . 14 1 1 A 57 57 ASP CB C 57 41.477 42.828 -1.351 1
1 419 . 14 1 1 A 57 57 ASP N N 57 115.979 119.672 -3.693 1
1 420 . 14 1 1 A 58 58 GLU H H 58 7.469 7.725 -0.256 1
1 421 . 14 1 1 A 58 58 GLU HA H 58 4.717 4.684 0.033 1
1 426 . 14 1 1 A 58 58 GLU C C 58 174.081 175.175 -1.094 1
1 427 . 14 1 1 A 58 58 GLU CA C 58 54.280 54.829 -0.549 1
1 428 . 14 1 1 A 58 58 GLU CB C 58 32.995 32.178 0.817 1
1 430 . 14 1 1 A 58 58 GLU N N 58 118.912 117.348 1.564 1
1 431 . 14 1 1 A 59 59 CYS H H 59 9.364 8.685 0.679 1
1 432 . 14 1 1 A 59 59 CYS HA H 59 4.248 4.446 -0.198 1
1 435 . 14 1 1 A 59 59 CYS C C 59 178.266 176.270 1.996 1
1 436 . 14 1 1 A 59 59 CYS CA C 59 59.782 60.153 -0.371 1
1 437 . 14 1 1 A 59 59 CYS CB C 59 31.041 28.856 2.185 1
1 438 . 14 1 1 A 59 59 CYS N N 59 124.760 125.348 -0.588 1
1 439 . 14 1 1 A 60 60 GLU H H 60 9.202 9.070 0.132 1
1 440 . 14 1 1 A 60 60 GLU HA H 60 4.202 4.072 0.130 1
1 445 . 14 1 1 A 60 60 GLU C C 60 175.834 178.493 -2.659 1
1 446 . 14 1 1 A 60 60 GLU CA C 60 58.503 58.647 -0.144 1
1 447 . 14 1 1 A 60 60 GLU CB C 60 30.041 29.036 1.005 1
1 449 . 14 1 1 A 60 60 GLU N N 60 130.690 127.029 3.661 1
1 450 . 14 1 1 A 61 61 GLU H H 61 8.751 7.594 1.157 1
1 451 . 14 1 1 A 61 61 GLU HA H 61 4.542 4.277 0.265 1
1 456 . 14 1 1 A 61 61 GLU C C 61 177.312 178.226 -0.914 1
1 457 . 14 1 1 A 61 61 GLU CA C 61 58.094 58.436 -0.342 1
1 458 . 14 1 1 A 61 61 GLU CB C 61 31.037 30.648 0.389 1
1 460 . 14 1 1 A 61 61 GLU N N 61 120.904 118.929 1.975 1
1 461 . 14 1 1 A 62 62 CYS H H 62 8.401 7.438 0.963 1
1 462 . 14 1 1 A 62 62 CYS HA H 62 5.014 4.633 0.381 1
1 465 . 14 1 1 A 62 62 CYS C C 62 177.324 175.759 1.565 1
1 466 . 14 1 1 A 62 62 CYS CA C 62 59.127 58.565 0.562 1
1 467 . 14 1 1 A 62 62 CYS CB C 62 33.355 29.248 4.107 1
1 468 . 14 1 1 A 62 62 CYS N N 62 117.947 113.804 4.143 1
1 469 . 14 1 1 A 63 63 GLY H H 63 8.048 7.886 0.162 1
1 470 . 14 1 1 A 63 63 GLY HA2 H 63 4.234 3.926 0.308 1
1 471 . 14 1 1 A 63 63 GLY HA3 H 63 3.820 3.929 -0.109 1
1 472 . 14 1 1 A 63 63 GLY C C 63 172.914 174.949 -2.035 1
1 473 . 14 1 1 A 63 63 GLY CA C 63 46.163 46.649 -0.486 1
1 474 . 14 1 1 A 63 63 GLY N N 63 113.407 111.434 1.973 1
1 475 . 14 1 1 A 64 64 ALA H H 64 9.148 8.035 1.113 1
1 476 . 14 1 1 A 64 64 ALA HA H 64 4.536 4.472 0.064 1
1 480 . 14 1 1 A 64 64 ALA CA C 64 51.510 50.670 0.840 1
1 481 . 14 1 1 A 64 64 ALA CB C 64 19.099 19.287 -0.188 1
1 482 . 14 1 1 A 64 64 ALA N N 64 127.297 123.469 3.828 1
1 483 . 14 1 1 A 65 65 PRO HA H 65 4.583 4.457 0.126 1
1 490 . 14 1 1 A 65 65 PRO C C 65 177.423 176.718 0.705 1
1 491 . 14 1 1 A 65 65 PRO CA C 65 63.020 63.179 -0.159 1
1 492 . 14 1 1 A 65 65 PRO CB C 65 31.832 31.600 0.232 1
1 495 . 14 1 1 A 66 66 ILE H H 66 8.053 8.237 -0.184 1
1 496 . 14 1 1 A 66 66 ILE HA H 66 4.330 4.349 -0.019 1
1 506 . 14 1 1 A 66 66 ILE CA C 66 58.847 59.799 -0.952 1
1 507 . 14 1 1 A 66 66 ILE CB C 66 38.162 38.074 0.088 1
1 511 . 14 1 1 A 66 66 ILE N N 66 125.090 123.987 1.103 1
1 512 . 14 1 1 A 67 67 PRO HA H 67 4.447 4.736 -0.289 1
1 519 . 14 1 1 A 67 67 PRO C C 67 177.325 177.663 -0.338 1
1 520 . 14 1 1 A 67 67 PRO CA C 67 62.883 62.245 0.638 1
1 521 . 14 1 1 A 67 67 PRO CB C 67 32.692 32.625 0.067 1
1 524 . 14 1 1 A 68 68 GLN H H 68 8.982 8.607 0.375 1
1 525 . 14 1 1 A 68 68 GLN HA H 68 3.791 3.951 -0.160 1
1 532 . 14 1 1 A 68 68 GLN C C 68 177.316 178.037 -0.721 1
1 533 . 14 1 1 A 68 68 GLN CA C 68 59.491 58.282 1.209 1
1 534 . 14 1 1 A 68 68 GLN CB C 68 27.882 28.119 -0.237 1
1 536 . 14 1 1 A 68 68 GLN N N 68 124.876 121.131 3.745 1
1 538 . 14 1 1 A 69 69 ALA H H 69 8.892 8.440 0.452 1
1 539 . 14 1 1 A 69 69 ALA HA H 69 4.100 3.992 0.108 1
1 543 . 14 1 1 A 69 69 ALA C C 69 180.347 179.605 0.742 1
1 544 . 14 1 1 A 69 69 ALA CA C 69 55.209 55.057 0.152 1
1 545 . 14 1 1 A 69 69 ALA CB C 69 18.097 18.083 0.014 1
1 546 . 14 1 1 A 69 69 ALA N N 69 118.268 123.119 -4.851 1
1 547 . 14 1 1 A 70 70 ARG H H 70 7.020 7.439 -0.419 1
1 548 . 14 1 1 A 70 70 ARG HA H 70 4.234 4.178 0.056 1
1 555 . 14 1 1 A 70 70 ARG C C 70 176.438 178.824 -2.386 1
1 556 . 14 1 1 A 70 70 ARG CA C 70 58.791 59.264 -0.473 1
1 557 . 14 1 1 A 70 70 ARG CB C 70 29.544 29.890 -0.346 1
1 560 . 14 1 1 A 70 70 ARG N N 70 119.170 117.429 1.741 1
1 561 . 14 1 1 A 71 71 ARG H H 71 7.754 7.369 0.385 1
1 562 . 14 1 1 A 71 71 ARG HA H 71 3.807 4.177 -0.370 1
1 569 . 14 1 1 A 71 71 ARG C C 71 179.191 178.526 0.665 1
1 570 . 14 1 1 A 71 71 ARG CA C 71 59.782 58.876 0.906 1
1 571 . 14 1 1 A 71 71 ARG CB C 71 30.564 30.123 0.441 1
1 574 . 14 1 1 A 71 71 ARG N N 71 116.460 118.656 -2.196 1
1 575 . 14 1 1 A 72 72 GLU H H 72 8.062 8.132 -0.070 1
1 576 . 14 1 1 A 72 72 GLU HA H 72 4.014 4.114 -0.100 1
1 581 . 14 1 1 A 72 72 GLU C C 72 177.357 178.931 -1.574 1
1 582 . 14 1 1 A 72 72 GLU CA C 72 57.860 59.416 -1.556 1
1 583 . 14 1 1 A 72 72 GLU CB C 72 29.978 29.231 0.747 1
1 585 . 14 1 1 A 72 72 GLU N N 72 114.904 118.589 -3.685 1
1 586 . 14 1 1 A 73 73 ALA H H 73 7.686 7.570 0.116 1
1 587 . 14 1 1 A 73 73 ALA HA H 73 4.199 4.138 0.061 1
1 591 . 14 1 1 A 73 73 ALA C C 73 178.246 177.819 0.427 1
1 592 . 14 1 1 A 73 73 ALA CA C 73 54.110 54.895 -0.785 1
1 593 . 14 1 1 A 73 73 ALA CB C 73 19.546 19.065 0.481 1
1 594 . 14 1 1 A 73 73 ALA N N 73 120.673 120.934 -0.261 1
1 595 . 14 1 1 A 74 74 ILE H H 74 7.609 8.178 -0.569 1
1 596 . 14 1 1 A 74 74 ILE HA H 74 4.318 4.460 -0.142 1
1 606 . 14 1 1 A 74 74 ILE CA C 74 57.722 57.837 -0.115 1
1 607 . 14 1 1 A 74 74 ILE CB C 74 38.313 38.862 -0.549 1
1 611 . 14 1 1 A 74 74 ILE N N 74 117.475 118.155 -0.680 1
1 612 . 14 1 1 A 75 75 PRO HA H 75 4.267 4.680 -0.413 1
1 619 . 14 1 1 A 75 75 PRO C C 75 179.050 177.406 1.644 1
1 620 . 14 1 1 A 75 75 PRO CA C 75 63.966 62.594 1.372 1
1 621 . 14 1 1 A 75 75 PRO CB C 75 31.409 29.435 1.974 1
1 624 . 14 1 1 A 76 76 GLY H H 76 8.594 8.317 0.277 1
1 625 . 14 1 1 A 76 76 GLY HA2 H 76 4.081 4.053 0.028 1
1 626 . 14 1 1 A 76 76 GLY HA3 H 76 3.402 4.053 -0.651 1
1 627 . 14 1 1 A 76 76 GLY C C 76 174.447 174.682 -0.235 1
1 628 . 14 1 1 A 76 76 GLY CA C 76 45.138 45.001 0.137 1
1 629 . 14 1 1 A 76 76 GLY N N 76 113.042 110.489 2.553 1
1 630 . 14 1 1 A 77 77 VAL H H 77 8.185 7.453 0.732 1
1 631 . 14 1 1 A 77 77 VAL HA H 77 3.955 4.146 -0.191 1
1 639 . 14 1 1 A 77 77 VAL C C 77 173.122 175.429 -2.307 1
1 640 . 14 1 1 A 77 77 VAL CA C 77 63.160 62.063 1.097 1
1 641 . 14 1 1 A 77 77 VAL CB C 77 30.748 32.632 -1.884 1
1 644 . 14 1 1 A 77 77 VAL N N 77 124.214 120.722 3.492 1
1 645 . 14 1 1 A 78 78 ARG H H 78 8.635 8.939 -0.304 1
1 646 . 14 1 1 A 78 78 ARG HA H 78 4.547 4.620 -0.073 1
1 653 . 14 1 1 A 78 78 ARG C C 78 173.948 175.611 -1.663 1
1 654 . 14 1 1 A 78 78 ARG CA C 78 55.410 55.736 -0.326 1
1 655 . 14 1 1 A 78 78 ARG CB C 78 33.618 31.637 1.981 1
1 658 . 14 1 1 A 78 78 ARG N N 78 121.505 125.871 -4.366 1
1 659 . 14 1 1 A 79 79 LEU H H 79 7.037 7.647 -0.610 1
1 660 . 14 1 1 A 79 79 LEU HA H 79 6.078 4.810 1.268 1
1 670 . 14 1 1 A 79 79 LEU C C 79 178.615 176.324 2.291 1
1 671 . 14 1 1 A 79 79 LEU CA C 79 52.286 53.090 -0.804 1
1 672 . 14 1 1 A 79 79 LEU CB C 79 46.763 44.250 2.513 1
1 676 . 14 1 1 A 79 79 LEU N N 79 116.511 120.373 -3.862 1
1 677 . 14 1 1 A 80 80 CYS H H 80 9.639 8.402 1.237 1
1 678 . 14 1 1 A 80 80 CYS HA H 80 4.595 4.569 0.026 1
1 681 . 14 1 1 A 80 80 CYS C C 80 174.898 175.318 -0.420 1
1 682 . 14 1 1 A 80 80 CYS CA C 80 57.983 58.589 -0.606 1
1 683 . 14 1 1 A 80 80 CYS CB C 80 31.306 29.418 1.888 1
1 684 . 14 1 1 A 80 80 CYS N N 80 121.517 124.303 -2.786 1
1 685 . 14 1 1 A 81 81 ILE H H 81 9.215 8.567 0.648 1
1 686 . 14 1 1 A 81 81 ILE HA H 81 3.836 3.836 0.000 1
1 696 . 14 1 1 A 81 81 ILE C C 81 176.081 177.393 -1.312 1
1 697 . 14 1 1 A 81 81 ILE CA C 81 63.715 64.286 -0.571 1
1 698 . 14 1 1 A 81 81 ILE CB C 81 38.309 37.804 0.505 1
1 702 . 14 1 1 A 81 81 ILE N N 81 119.426 123.081 -3.655 1
1 703 . 14 1 1 A 82 82 HIS H H 82 7.439 7.829 -0.390 1
1 704 . 14 1 1 A 82 82 HIS HA H 82 4.354 4.371 -0.017 1
1 709 . 14 1 1 A 82 82 HIS C C 82 178.603 178.012 0.591 1
1 710 . 14 1 1 A 82 82 HIS CA C 82 59.802 59.463 0.339 1
1 711 . 14 1 1 A 82 82 HIS CB C 82 30.164 30.306 -0.142 1
1 714 . 14 1 1 A 82 82 HIS N N 82 122.605 119.100 3.505 1
1 715 . 14 1 1 A 83 83 CYS H H 83 8.960 8.222 0.738 1
1 716 . 14 1 1 A 83 83 CYS HA H 83 3.995 4.438 -0.443 1
1 719 . 14 1 1 A 83 83 CYS C C 83 178.676 177.446 1.230 1
1 720 . 14 1 1 A 83 83 CYS CA C 83 64.648 61.520 3.128 1
1 721 . 14 1 1 A 83 83 CYS CB C 83 29.618 26.724 2.894 1
1 722 . 14 1 1 A 83 83 CYS N N 83 124.742 118.214 6.528 1
1 723 . 14 1 1 A 84 84 GLN H H 84 8.525 8.010 0.515 1
1 724 . 14 1 1 A 84 84 GLN HA H 84 3.812 4.075 -0.263 1
1 731 . 14 1 1 A 84 84 GLN C C 84 177.478 178.134 -0.656 1
1 732 . 14 1 1 A 84 84 GLN CA C 84 58.750 58.988 -0.238 1
1 733 . 14 1 1 A 84 84 GLN CB C 84 28.372 28.753 -0.381 1
1 735 . 14 1 1 A 84 84 GLN N N 84 120.642 121.689 -1.047 1
1 737 . 14 1 1 A 85 85 GLN H H 85 8.100 8.090 0.010 1
1 738 . 14 1 1 A 85 85 GLN HA H 85 4.117 4.011 0.106 1
1 745 . 14 1 1 A 85 85 GLN C C 85 178.483 177.841 0.642 1
1 746 . 14 1 1 A 85 85 GLN CA C 85 58.857 58.709 0.148 1
1 747 . 14 1 1 A 85 85 GLN CB C 85 28.261 28.367 -0.106 1
1 749 . 14 1 1 A 85 85 GLN N N 85 118.154 117.247 0.907 1
1 751 . 14 1 1 A 86 86 GLU H H 86 7.657 8.324 -0.667 1
1 752 . 14 1 1 A 86 86 GLU HA H 86 4.049 4.076 -0.027 1
1 757 . 14 1 1 A 86 86 GLU C C 86 178.798 178.278 0.520 1
1 758 . 14 1 1 A 86 86 GLU CA C 86 58.852 59.396 -0.544 1
1 759 . 14 1 1 A 86 86 GLU CB C 86 29.716 29.136 0.580 1
1 761 . 14 1 1 A 86 86 GLU N N 86 118.055 119.149 -1.094 1
1 762 . 14 1 1 A 87 87 LYS H H 87 7.799 7.991 -0.192 1
1 763 . 14 1 1 A 87 87 LYS HA H 87 4.056 4.204 -0.148 1
1 772 . 14 1 1 A 87 87 LYS C C 87 179.025 179.221 -0.196 1
1 773 . 14 1 1 A 87 87 LYS CA C 87 58.452 58.901 -0.449 1
1 774 . 14 1 1 A 87 87 LYS CB C 87 32.067 32.136 -0.069 1
1 778 . 14 1 1 A 87 87 LYS N N 87 119.741 118.952 0.789 1
1 779 . 14 1 1 A 88 88 ASP H H 88 8.300 8.129 0.171 1
1 780 . 14 1 1 A 88 88 ASP HA H 88 4.461 4.455 0.006 1
1 783 . 14 1 1 A 88 88 ASP C C 88 177.597 178.302 -0.705 1
1 784 . 14 1 1 A 88 88 ASP CA C 88 56.228 56.301 -0.073 1
1 785 . 14 1 1 A 88 88 ASP CB C 88 40.500 40.899 -0.399 1
1 786 . 14 1 1 A 88 88 ASP N N 88 119.700 119.655 0.045 1
1 787 . 14 1 1 A 89 89 LEU H H 89 7.672 7.926 -0.254 1
1 788 . 14 1 1 A 89 89 LEU HA H 89 4.227 4.074 0.153 1
1 798 . 14 1 1 A 89 89 LEU C C 89 177.757 179.675 -1.918 1
1 799 . 14 1 1 A 89 89 LEU CA C 89 55.938 57.545 -1.607 1
1 800 . 14 1 1 A 89 89 LEU CB C 89 42.267 41.121 1.146 1
1 804 . 14 1 1 A 89 89 LEU N N 89 119.729 118.921 0.808 1
1 805 . 14 1 1 A 90 90 GLN H H 90 7.823 7.818 0.005 1
1 806 . 14 1 1 A 90 90 GLN HA H 90 4.264 4.252 0.012 1
1 813 . 14 1 1 A 90 90 GLN C C 90 175.896 175.973 -0.077 1
1 814 . 14 1 1 A 90 90 GLN CA C 90 55.828 58.173 -2.345 1
1 815 . 14 1 1 A 90 90 GLN CB C 90 28.871 29.154 -0.283 1
1 817 . 14 1 1 A 90 90 GLN N N 90 118.133 117.450 0.683 1
1 819 . 14 1 1 A 91 91 LYS H H 91 8.016 6.992 1.024 1
1 820 . 14 1 1 A 91 91 LYS HA H 91 4.561 4.522 0.039 1
1 829 . 14 1 1 A 91 91 LYS CA C 91 54.567 55.005 -0.438 1
1 830 . 14 1 1 A 91 91 LYS CB C 91 32.373 32.479 -0.106 1
1 834 . 14 1 1 A 91 91 LYS N N 91 122.571 118.377 4.194 1
1 835 . 14 1 1 A 92 92 PRO HA H 92 4.372 4.273 0.099 1
1 842 . 14 1 1 A 92 92 PRO C C 92 176.665 176.990 -0.325 1
1 843 . 14 1 1 A 92 92 PRO CA C 92 63.251 65.395 -2.144 1
1 844 . 14 1 1 A 92 92 PRO CB C 92 32.073 31.501 0.572 1
1 847 . 14 1 1 A 93 93 ALA H H 93 8.364 7.921 0.443 1
1 848 . 14 1 1 A 93 93 ALA HA H 93 4.245 4.009 0.236 1
1 852 . 14 1 1 A 93 93 ALA C C 93 177.504 175.650 1.854 1
1 853 . 14 1 1 A 93 93 ALA CA C 93 52.458 53.749 -1.291 1
1 854 . 14 1 1 A 93 93 ALA CB C 93 19.247 18.117 1.130 1
1 855 . 14 1 1 A 93 93 ALA N N 93 123.718 119.451 4.267 1
1 856 . 14 1 1 A 94 94 TYR H H 94 8.153 7.285 0.868 1
1 857 . 14 1 1 A 94 94 TYR HA H 94 4.626 4.847 -0.221 1
1 864 . 14 1 1 A 94 94 TYR C C 94 176.141 175.021 1.120 1
1 865 . 14 1 1 A 94 94 TYR CA C 94 57.859 55.798 2.061 1
1 866 . 14 1 1 A 94 94 TYR CB C 94 38.793 40.297 -1.504 1
1 871 . 14 1 1 A 94 94 TYR N N 94 119.293 112.324 6.969 1
1 872 . 14 1 1 A 95 95 THR H H 95 8.119 8.445 -0.326 1
1 873 . 14 1 1 A 95 95 THR HA H 95 4.286 4.275 0.011 1
1 878 . 14 1 1 A 95 95 THR C C 95 174.813 175.866 -1.053 1
1 879 . 14 1 1 A 95 95 THR CA C 95 61.758 62.590 -0.832 1
1 880 . 14 1 1 A 95 95 THR CB C 95 69.860 69.994 -0.134 1
1 882 . 14 1 1 A 95 95 THR N N 95 115.890 113.304 2.586 1
1 883 . 14 1 1 A 96 96 GLY H H 96 7.669 8.322 -0.653 1
1 884 . 14 1 1 A 96 96 GLY HA2 H 96 3.875 4.063 -0.188 1
1 885 . 14 1 1 A 96 96 GLY HA3 H 96 3.822 4.219 -0.397 1
1 886 . 14 1 1 A 96 96 GLY C C 96 173.774 174.478 -0.704 1
1 887 . 14 1 1 A 96 96 GLY CA C 96 45.320 47.001 -1.681 1
1 888 . 14 1 1 A 96 96 GLY N N 96 110.133 111.357 -1.224 1
1 889 . 14 1 1 A 97 97 TYR H H 97 8.028 8.125 -0.097 1
1 890 . 14 1 1 A 97 97 TYR HA H 97 4.510 4.601 -0.091 1
1 897 . 14 1 1 A 97 97 TYR CA C 97 58.115 56.730 1.385 1
1 898 . 14 1 1 A 97 97 TYR CB C 97 38.769 37.820 0.949 1
1 903 . 14 1 1 A 97 97 TYR N N 97 119.945 119.690 0.255 1
1 904 . 14 1 1 A 98 98 ASN HA H 98 4.641 4.940 -0.299 1
1 909 . 14 1 1 A 98 98 ASN C C 98 174.882 174.385 0.497 1
1 910 . 14 1 1 A 98 98 ASN CA C 98 53.067 52.176 0.891 1
1 911 . 14 1 1 A 98 98 ASN CB C 98 38.835 38.672 0.163 1
1 913 . 14 1 1 A 99 99 ARG H H 99 8.226 8.670 -0.444 1
1 914 . 14 1 1 A 99 99 ARG HA H 99 4.259 4.913 -0.654 1
1 921 . 14 1 1 A 99 99 ARG C C 99 176.406 174.711 1.695 1
1 922 . 14 1 1 A 99 99 ARG CA C 99 56.464 54.858 1.606 1
1 923 . 14 1 1 A 99 99 ARG CB C 99 30.588 31.460 -0.872 1
1 926 . 14 1 1 A 99 99 ARG N N 99 121.620 126.158 -4.538 1
1 927 . 14 1 1 A 100 100 ARG H H 100 8.398 8.648 -0.250 1
1 928 . 14 1 1 A 100 100 ARG N N 100 121.935 124.791 -2.856 1
1 929 . 14 1 1 A 101 101 GLY HA2 H 101 3.835 3.947 -0.112 1
1 930 . 14 1 1 A 101 101 GLY HA3 H 101 3.835 3.947 -0.112 1
1 931 . 14 1 1 A 101 101 GLY CA C 101 43.935 47.189 -3.254 1
1 932 . 14 1 1 A 102 102 SER HA H 102 4.460 4.685 -0.225 1
1 935 . 14 1 1 A 102 102 SER CA C 102 58.458 58.513 -0.055 1
1 936 . 14 1 1 A 102 102 SER CB C 102 64.128 65.110 -0.982 1
1 937 . 14 1 1 A 103 103 LYS H H 103 8.524 7.596 0.928 1
1 938 . 14 1 1 A 103 103 LYS HA H 103 4.305 4.462 -0.157 1
1 947 . 14 1 1 A 103 103 LYS CA C 103 56.788 55.121 1.667 1
1 948 . 14 1 1 A 103 103 LYS CB C 103 32.766 32.703 0.063 1
1 952 . 14 1 1 A 103 103 LYS N N 103 123.092 122.815 0.277 1
1 953 . 14 1 1 A 104 104 ASP H H 104 8.316 8.800 -0.484 1
1 954 . 14 1 1 A 104 104 ASP HA H 104 4.612 4.957 -0.345 1
1 957 . 14 1 1 A 104 104 ASP C C 104 176.493 175.633 0.860 1
1 958 . 14 1 1 A 104 104 ASP CA C 104 54.704 54.299 0.405 1
1 959 . 14 1 1 A 104 104 ASP CB C 104 41.277 42.025 -0.748 1
1 960 . 14 1 1 A 104 104 ASP N N 104 120.807 127.471 -6.664 1
1 961 . 14 1 1 A 105 105 SER H H 105 8.215 9.014 -0.799 1
1 962 . 14 1 1 A 105 105 SER HA H 105 4.390 4.679 -0.289 1
1 965 . 14 1 1 A 105 105 SER C C 105 174.659 173.293 1.366 1
1 966 . 14 1 1 A 105 105 SER CA C 105 58.889 57.149 1.740 1
1 967 . 14 1 1 A 105 105 SER CB C 105 63.781 63.117 0.664 1
1 968 . 14 1 1 A 105 105 SER N N 105 116.100 120.277 -4.177 1
1 969 . 14 1 1 A 106 106 GLN H H 106 8.396 7.417 0.979 1
1 970 . 14 1 1 A 106 106 GLN HA H 106 4.344 4.502 -0.158 1
1 977 . 14 1 1 A 106 106 GLN C C 106 175.746 175.701 0.045 1
1 978 . 14 1 1 A 106 106 GLN CA C 106 55.981 55.248 0.733 1
1 979 . 14 1 1 A 106 106 GLN CB C 106 29.351 28.025 1.326 1
1 981 . 14 1 1 A 106 106 GLN N N 106 121.640 122.316 -0.676 1
1 983 . 14 1 1 A 107 107 LEU H H 107 8.172 7.610 0.562 1
1 984 . 14 1 1 A 107 107 LEU HA H 107 4.348 4.429 -0.081 1
1 994 . 14 1 1 A 107 107 LEU C C 107 176.328 176.154 0.174 1
1 995 . 14 1 1 A 107 107 LEU CA C 107 55.385 54.200 1.185 1
1 996 . 14 1 1 A 107 107 LEU CB C 107 42.163 41.139 1.024 1
1 1000 . 14 1 1 A 107 107 LEU N N 107 123.200 123.086 0.114 1
1 12 . 15 1 1 A 22 22 ALA H H 22 8.289 8.464 -0.175 1
1 13 . 15 1 1 A 22 22 ALA HA H 22 4.277 4.596 -0.319 1
1 17 . 15 1 1 A 22 22 ALA C C 22 177.730 176.502 1.228 1
1 18 . 15 1 1 A 22 22 ALA CA C 22 52.742 51.685 1.057 1
1 19 . 15 1 1 A 22 22 ALA CB C 22 19.263 18.901 0.362 1
1 20 . 15 1 1 A 22 22 ALA N N 22 125.042 127.229 -2.187 1
1 21 . 15 1 1 A 23 23 SER H H 23 8.253 8.958 -0.705 1
1 22 . 15 1 1 A 23 23 SER HA H 23 4.374 5.076 -0.702 1
1 25 . 15 1 1 A 23 23 SER C C 23 175.066 174.216 0.850 1
1 26 . 15 1 1 A 23 23 SER CA C 23 58.670 57.198 1.472 1
1 27 . 15 1 1 A 23 23 SER CB C 23 63.822 64.567 -0.745 1
1 28 . 15 1 1 A 23 23 SER N N 23 114.713 118.585 -3.872 1
1 29 . 15 1 1 A 24 24 GLY H H 24 8.368 8.518 -0.150 1
1 30 . 15 1 1 A 24 24 GLY HA2 H 24 3.945 3.946 -0.001 1
1 31 . 15 1 1 A 24 24 GLY HA3 H 24 3.886 3.996 -0.110 1
1 32 . 15 1 1 A 24 24 GLY C C 24 173.906 175.142 -1.236 1
1 33 . 15 1 1 A 24 24 GLY CA C 24 45.410 45.474 -0.064 1
1 34 . 15 1 1 A 24 24 GLY N N 24 110.595 114.911 -4.316 1
1 35 . 15 1 1 A 25 25 TRP H H 25 7.961 8.476 -0.515 1
1 36 . 15 1 1 A 25 25 TRP HA H 25 4.632 4.373 0.259 1
1 45 . 15 1 1 A 25 25 TRP C C 25 175.880 176.964 -1.084 1
1 46 . 15 1 1 A 25 25 TRP CA C 25 57.289 60.060 -2.771 1
1 47 . 15 1 1 A 25 25 TRP CB C 25 29.725 28.337 1.388 1
1 53 . 15 1 1 A 25 25 TRP N N 25 120.881 121.277 -0.396 1
1 55 . 15 1 1 A 26 26 ALA H H 26 8.129 6.593 1.536 1
1 56 . 15 1 1 A 26 26 ALA HA H 26 4.222 4.189 0.033 1
1 60 . 15 1 1 A 26 26 ALA C C 26 176.977 176.223 0.754 1
1 61 . 15 1 1 A 26 26 ALA CA C 26 52.345 50.709 1.636 1
1 62 . 15 1 1 A 26 26 ALA CB C 26 19.414 19.775 -0.361 1
1 63 . 15 1 1 A 26 26 ALA N N 26 125.541 120.186 5.355 1
1 64 . 15 1 1 A 27 27 ASN H H 27 8.139 7.310 0.829 1
1 65 . 15 1 1 A 27 27 ASN HA H 27 4.581 4.707 -0.126 1
1 70 . 15 1 1 A 27 27 ASN C C 27 175.044 173.581 1.463 1
1 71 . 15 1 1 A 27 27 ASN CA C 27 53.260 52.354 0.906 1
1 72 . 15 1 1 A 27 27 ASN CB C 27 39.022 36.826 2.196 1
1 73 . 15 1 1 A 27 27 ASN N N 27 117.794 118.216 -0.422 1
1 75 . 15 1 1 A 28 28 ASP H H 28 8.286 7.801 0.485 1
1 76 . 15 1 1 A 28 28 ASP HA H 28 4.581 4.989 -0.408 1
1 79 . 15 1 1 A 28 28 ASP C C 28 176.163 175.497 0.666 1
1 80 . 15 1 1 A 28 28 ASP CA C 28 54.629 52.923 1.706 1
1 81 . 15 1 1 A 28 28 ASP CB C 28 41.129 44.045 -2.916 1
1 82 . 15 1 1 A 28 28 ASP N N 28 120.788 123.964 -3.176 1
1 83 . 15 1 1 A 29 29 ASP H H 29 8.287 8.778 -0.491 1
1 84 . 15 1 1 A 29 29 ASP HA H 29 4.546 4.272 0.274 1
1 87 . 15 1 1 A 29 29 ASP C C 29 176.359 177.645 -1.286 1
1 88 . 15 1 1 A 29 29 ASP CA C 29 54.883 56.925 -2.042 1
1 89 . 15 1 1 A 29 29 ASP CB C 29 41.050 40.807 0.243 1
1 90 . 15 1 1 A 29 29 ASP N N 29 120.641 124.598 -3.957 1
1 91 . 15 1 1 A 30 30 ALA H H 30 8.141 7.639 0.502 1
1 92 . 15 1 1 A 30 30 ALA HA H 30 4.278 4.182 0.096 1
1 96 . 15 1 1 A 30 30 ALA C C 30 178.218 177.903 0.315 1
1 97 . 15 1 1 A 30 30 ALA CA C 30 53.006 53.206 -0.200 1
1 98 . 15 1 1 A 30 30 ALA CB C 30 19.115 18.175 0.940 1
1 99 . 15 1 1 A 30 30 ALA N N 30 123.561 121.084 2.477 1
1 100 . 15 1 1 A 31 31 VAL H H 31 7.996 7.626 0.370 1
1 101 . 15 1 1 A 31 31 VAL HA H 31 4.010 3.775 0.235 1
1 109 . 15 1 1 A 31 31 VAL C C 31 175.417 177.604 -2.187 1
1 110 . 15 1 1 A 31 31 VAL CA C 31 62.896 66.000 -3.104 1
1 111 . 15 1 1 A 31 31 VAL CB C 31 32.567 31.459 1.108 1
1 114 . 15 1 1 A 31 31 VAL N N 31 118.676 118.204 0.472 1
1 115 . 15 1 1 A 32 32 ASN H H 32 8.364 8.314 0.050 1
1 116 . 15 1 1 A 32 32 ASN HA H 32 4.694 4.500 0.194 1
1 121 . 15 1 1 A 32 32 ASN C C 32 174.659 176.825 -2.166 1
1 122 . 15 1 1 A 32 32 ASN CA C 32 53.547 56.166 -2.619 1
1 123 . 15 1 1 A 32 32 ASN CB C 32 38.939 38.966 -0.027 1
1 124 . 15 1 1 A 32 32 ASN N N 32 121.518 118.878 2.640 1
1 126 . 15 1 1 A 33 33 GLU H H 33 8.380 7.825 0.555 1
1 127 . 15 1 1 A 33 33 GLU HA H 33 4.240 4.178 0.062 1
1 132 . 15 1 1 A 33 33 GLU C C 33 176.641 178.971 -2.330 1
1 133 . 15 1 1 A 33 33 GLU CA C 33 57.074 58.107 -1.033 1
1 134 . 15 1 1 A 33 33 GLU CB C 33 30.212 29.747 0.465 1
1 136 . 15 1 1 A 33 33 GLU N N 33 121.497 118.225 3.272 1
1 137 . 15 1 1 A 34 34 GLN H H 34 8.333 7.683 0.650 1
1 138 . 15 1 1 A 34 34 GLN HA H 34 4.315 4.099 0.216 1
1 145 . 15 1 1 A 34 34 GLN C C 34 176.325 178.021 -1.696 1
1 146 . 15 1 1 A 34 34 GLN CA C 34 56.232 58.631 -2.399 1
1 147 . 15 1 1 A 34 34 GLN CB C 34 29.304 28.147 1.157 1
1 149 . 15 1 1 A 34 34 GLN N N 34 120.891 119.832 1.059 1
1 151 . 15 1 1 A 35 35 ILE H H 35 8.155 7.504 0.651 1
1 152 . 15 1 1 A 35 35 ILE HA H 35 4.116 3.755 0.361 1
1 162 . 15 1 1 A 35 35 ILE C C 35 176.203 176.381 -0.178 1
1 163 . 15 1 1 A 35 35 ILE CA C 35 61.645 64.463 -2.818 1
1 164 . 15 1 1 A 35 35 ILE CB C 35 38.640 37.671 0.969 1
1 168 . 15 1 1 A 35 35 ILE N N 35 121.784 119.592 2.192 1
1 169 . 15 1 1 A 36 36 ASN H H 36 8.504 8.116 0.388 1
1 170 . 15 1 1 A 36 36 ASN HA H 36 4.760 4.381 0.379 1
1 175 . 15 1 1 A 36 36 ASN C C 36 175.468 175.544 -0.076 1
1 176 . 15 1 1 A 36 36 ASN CA C 36 53.504 54.391 -0.887 1
1 177 . 15 1 1 A 36 36 ASN CB C 36 38.947 38.134 0.813 1
1 178 . 15 1 1 A 36 36 ASN N N 36 122.204 120.644 1.560 1
1 180 . 15 1 1 A 37 37 SER H H 37 8.380 7.909 0.471 1
1 181 . 15 1 1 A 37 37 SER HA H 37 4.505 4.328 0.177 1
1 184 . 15 1 1 A 37 37 SER C C 37 174.990 176.206 -1.216 1
1 185 . 15 1 1 A 37 37 SER CA C 37 58.963 60.406 -1.443 1
1 186 . 15 1 1 A 37 37 SER CB C 37 63.760 63.131 0.629 1
1 187 . 15 1 1 A 37 37 SER N N 37 116.788 113.861 2.927 1
1 188 . 15 1 1 A 38 38 THR H H 38 8.302 7.857 0.445 1
1 189 . 15 1 1 A 38 38 THR HA H 38 4.369 4.018 0.351 1
1 194 . 15 1 1 A 38 38 THR C C 38 175.437 176.953 -1.516 1
1 195 . 15 1 1 A 38 38 THR CA C 38 62.751 66.674 -3.923 1
1 196 . 15 1 1 A 38 38 THR CB C 38 69.838 68.108 1.730 1
1 198 . 15 1 1 A 38 38 THR N N 38 116.285 116.548 -0.263 1
1 199 . 15 1 1 A 39 39 ILE H H 39 8.153 7.605 0.548 1
1 200 . 15 1 1 A 39 39 ILE HA H 39 4.080 3.656 0.424 1
1 210 . 15 1 1 A 39 39 ILE C C 39 176.850 178.297 -1.447 1
1 211 . 15 1 1 A 39 39 ILE CA C 39 62.295 64.579 -2.284 1
1 212 . 15 1 1 A 39 39 ILE CB C 39 38.373 36.798 1.575 1
1 216 . 15 1 1 A 39 39 ILE N N 39 123.148 122.165 0.983 1
1 217 . 15 1 1 A 40 40 GLU H H 40 8.438 8.428 0.010 1
1 218 . 15 1 1 A 40 40 GLU HA H 40 4.146 4.080 0.066 1
1 223 . 15 1 1 A 40 40 GLU C C 40 177.573 178.298 -0.725 1
1 224 . 15 1 1 A 40 40 GLU CA C 40 58.026 58.916 -0.890 1
1 225 . 15 1 1 A 40 40 GLU CB C 40 29.870 29.176 0.694 1
1 227 . 15 1 1 A 40 40 GLU N N 40 123.184 120.728 2.456 1
1 228 . 15 1 1 A 41 41 ASP H H 41 8.295 7.967 0.328 1
1 229 . 15 1 1 A 41 41 ASP HA H 41 4.512 4.318 0.194 1
1 232 . 15 1 1 A 41 41 ASP C C 41 176.856 178.498 -1.642 1
1 233 . 15 1 1 A 41 41 ASP CA C 41 55.563 57.212 -1.649 1
1 234 . 15 1 1 A 41 41 ASP CB C 41 41.080 40.217 0.863 1
1 235 . 15 1 1 A 41 41 ASP N N 41 121.311 120.437 0.874 1
1 236 . 15 1 1 A 42 42 ALA H H 42 8.098 7.713 0.385 1
1 237 . 15 1 1 A 42 42 ALA HA H 42 4.153 4.090 0.063 1
1 241 . 15 1 1 A 42 42 ALA C C 42 179.658 180.415 -0.757 1
1 242 . 15 1 1 A 42 42 ALA CA C 42 54.315 55.129 -0.814 1
1 243 . 15 1 1 A 42 42 ALA CB C 42 18.765 17.913 0.852 1
1 244 . 15 1 1 A 42 42 ALA N N 42 123.411 122.347 1.064 1
1 245 . 15 1 1 A 43 43 ILE H H 43 8.047 7.602 0.445 1
1 246 . 15 1 1 A 43 43 ILE HA H 43 3.904 3.712 0.192 1
1 256 . 15 1 1 A 43 43 ILE C C 43 176.603 178.087 -1.484 1
1 257 . 15 1 1 A 43 43 ILE CA C 43 63.028 64.990 -1.962 1
1 258 . 15 1 1 A 43 43 ILE CB C 43 38.140 37.003 1.137 1
1 262 . 15 1 1 A 43 43 ILE N N 43 119.853 118.575 1.278 1
1 263 . 15 1 1 A 44 44 ALA H H 44 8.072 7.976 0.096 1
1 264 . 15 1 1 A 44 44 ALA HA H 44 4.162 4.046 0.116 1
1 268 . 15 1 1 A 44 44 ALA C C 44 179.414 179.284 0.130 1
1 269 . 15 1 1 A 44 44 ALA CA C 44 54.011 54.850 -0.839 1
1 270 . 15 1 1 A 44 44 ALA CB C 44 18.614 18.287 0.327 1
1 271 . 15 1 1 A 44 44 ALA N N 44 124.814 121.824 2.990 1
1 272 . 15 1 1 A 45 45 ARG H H 45 8.177 7.837 0.340 1
1 273 . 15 1 1 A 45 45 ARG HA H 45 4.187 4.242 -0.055 1
1 280 . 15 1 1 A 45 45 ARG C C 45 177.629 178.962 -1.333 1
1 281 . 15 1 1 A 45 45 ARG CA C 45 57.569 57.272 0.297 1
1 282 . 15 1 1 A 45 45 ARG CB C 45 30.600 30.613 -0.013 1
1 285 . 15 1 1 A 45 45 ARG N N 45 118.718 116.443 2.275 1
1 286 . 15 1 1 A 46 46 ALA H H 46 8.004 7.457 0.547 1
1 287 . 15 1 1 A 46 46 ALA HA H 46 4.274 4.139 0.135 1
1 291 . 15 1 1 A 46 46 ALA C C 46 178.519 178.108 0.411 1
1 292 . 15 1 1 A 46 46 ALA CA C 46 53.339 54.881 -1.542 1
1 293 . 15 1 1 A 46 46 ALA CB C 46 18.827 19.057 -0.230 1
1 294 . 15 1 1 A 46 46 ALA N N 46 123.416 122.547 0.869 1
1 295 . 15 1 1 A 47 47 ARG H H 47 8.082 7.481 0.601 1
1 296 . 15 1 1 A 47 47 ARG HA H 47 4.285 4.503 -0.218 1
1 303 . 15 1 1 A 47 47 ARG C C 47 177.103 176.558 0.545 1
1 304 . 15 1 1 A 47 47 ARG CA C 47 56.871 55.029 1.842 1
1 305 . 15 1 1 A 47 47 ARG CB C 47 30.655 31.445 -0.790 1
1 308 . 15 1 1 A 47 47 ARG N N 47 118.672 113.670 5.002 1
1 309 . 15 1 1 A 48 48 GLY H H 48 8.160 8.020 0.140 1
1 310 . 15 1 1 A 48 48 GLY HA2 H 48 3.976 3.906 0.070 1
1 311 . 15 1 1 A 48 48 GLY HA3 H 48 3.976 3.907 0.069 1
1 312 . 15 1 1 A 48 48 GLY C C 48 174.015 174.986 -0.971 1
1 313 . 15 1 1 A 48 48 GLY CA C 48 45.337 46.573 -1.236 1
1 314 . 15 1 1 A 48 48 GLY N N 48 108.533 109.384 -0.851 1
1 315 . 15 1 1 A 49 49 GLU H H 49 8.113 7.937 0.176 1
1 316 . 15 1 1 A 49 49 GLU HA H 49 4.317 4.119 0.198 1
1 321 . 15 1 1 A 49 49 GLU C C 49 176.216 176.915 -0.699 1
1 322 . 15 1 1 A 49 49 GLU CA C 49 56.125 58.727 -2.602 1
1 323 . 15 1 1 A 49 49 GLU CB C 49 30.497 30.328 0.169 1
1 325 . 15 1 1 A 49 49 GLU N N 49 120.272 120.827 -0.555 1
1 326 . 15 1 1 A 50 50 ILE H H 50 8.203 7.897 0.306 1
1 327 . 15 1 1 A 50 50 ILE HA H 50 4.419 4.213 0.206 1
1 337 . 15 1 1 A 50 50 ILE CA C 50 58.687 60.371 -1.684 1
1 338 . 15 1 1 A 50 50 ILE CB C 50 38.623 38.286 0.337 1
1 342 . 15 1 1 A 50 50 ILE N N 50 123.785 120.191 3.594 1
1 343 . 15 1 1 A 51 51 PRO HA H 51 4.414 4.638 -0.224 1
1 350 . 15 1 1 A 51 51 PRO C C 51 176.785 177.054 -0.269 1
1 351 . 15 1 1 A 51 51 PRO CA C 51 63.188 62.451 0.737 1
1 352 . 15 1 1 A 51 51 PRO CB C 51 32.210 33.074 -0.864 1
1 355 . 15 1 1 A 52 52 ARG H H 52 8.545 8.995 -0.450 1
1 356 . 15 1 1 A 52 52 ARG HA H 52 4.300 4.419 -0.119 1
1 363 . 15 1 1 A 52 52 ARG C C 52 176.985 176.186 0.799 1
1 364 . 15 1 1 A 52 52 ARG CA C 52 56.493 55.749 0.744 1
1 365 . 15 1 1 A 52 52 ARG CB C 52 30.944 29.912 1.032 1
1 368 . 15 1 1 A 52 52 ARG N N 52 122.009 119.904 2.105 1
1 369 . 15 1 1 A 53 53 GLY H H 53 8.504 8.707 -0.203 1
1 370 . 15 1 1 A 53 53 GLY HA2 H 53 3.995 3.959 0.036 1
1 371 . 15 1 1 A 53 53 GLY HA3 H 53 3.934 3.959 -0.025 1
1 372 . 15 1 1 A 53 53 GLY C C 53 173.562 173.680 -0.118 1
1 373 . 15 1 1 A 53 53 GLY CA C 53 44.990 46.338 -1.348 1
1 374 . 15 1 1 A 53 53 GLY N N 53 110.270 108.104 2.166 1
1 375 . 15 1 1 A 54 54 GLU H H 54 8.216 7.715 0.501 1
1 376 . 15 1 1 A 54 54 GLU HA H 54 4.364 5.213 -0.849 1
1 381 . 15 1 1 A 54 54 GLU C C 54 177.145 175.018 2.127 1
1 382 . 15 1 1 A 54 54 GLU CA C 54 55.883 54.934 0.949 1
1 383 . 15 1 1 A 54 54 GLU CB C 54 30.696 32.526 -1.830 1
1 385 . 15 1 1 A 54 54 GLU N N 54 119.939 115.636 4.303 1
1 386 . 15 1 1 A 55 55 SER H H 55 8.916 8.599 0.317 1
1 387 . 15 1 1 A 55 55 SER HA H 55 4.544 4.470 0.074 1
1 390 . 15 1 1 A 55 55 SER C C 55 174.434 174.929 -0.495 1
1 391 . 15 1 1 A 55 55 SER CA C 55 58.592 58.183 0.409 1
1 392 . 15 1 1 A 55 55 SER CB C 55 63.662 64.151 -0.489 1
1 393 . 15 1 1 A 55 55 SER N N 55 118.742 114.969 3.773 1
1 394 . 15 1 1 A 56 56 LEU H H 56 8.598 8.033 0.565 1
1 395 . 15 1 1 A 56 56 LEU HA H 56 4.343 4.875 -0.532 1
1 405 . 15 1 1 A 56 56 LEU C C 56 176.024 175.861 0.163 1
1 406 . 15 1 1 A 56 56 LEU CA C 56 54.782 52.566 2.216 1
1 407 . 15 1 1 A 56 56 LEU CB C 56 42.106 44.846 -2.740 1
1 411 . 15 1 1 A 56 56 LEU N N 56 125.386 119.979 5.407 1
1 412 . 15 1 1 A 57 57 ASP H H 57 8.211 8.688 -0.477 1
1 413 . 15 1 1 A 57 57 ASP HA H 57 4.545 4.913 -0.368 1
1 416 . 15 1 1 A 57 57 ASP C C 57 176.869 176.045 0.824 1
1 417 . 15 1 1 A 57 57 ASP CA C 57 54.978 54.559 0.419 1
1 418 . 15 1 1 A 57 57 ASP CB C 57 41.477 42.532 -1.055 1
1 419 . 15 1 1 A 57 57 ASP N N 57 115.979 116.023 -0.044 1
1 420 . 15 1 1 A 58 58 GLU H H 58 7.469 7.676 -0.207 1
1 421 . 15 1 1 A 58 58 GLU HA H 58 4.717 4.641 0.076 1
1 426 . 15 1 1 A 58 58 GLU C C 58 174.081 175.202 -1.121 1
1 427 . 15 1 1 A 58 58 GLU CA C 58 54.280 55.057 -0.777 1
1 428 . 15 1 1 A 58 58 GLU CB C 58 32.995 31.646 1.349 1
1 430 . 15 1 1 A 58 58 GLU N N 58 118.912 117.806 1.106 1
1 431 . 15 1 1 A 59 59 CYS H H 59 9.364 8.582 0.782 1
1 432 . 15 1 1 A 59 59 CYS HA H 59 4.248 4.281 -0.033 1
1 435 . 15 1 1 A 59 59 CYS C C 59 178.266 176.481 1.785 1
1 436 . 15 1 1 A 59 59 CYS CA C 59 59.782 60.213 -0.431 1
1 437 . 15 1 1 A 59 59 CYS CB C 59 31.041 29.151 1.890 1
1 438 . 15 1 1 A 59 59 CYS N N 59 124.760 125.248 -0.488 1
1 439 . 15 1 1 A 60 60 GLU H H 60 9.202 8.956 0.246 1
1 440 . 15 1 1 A 60 60 GLU HA H 60 4.202 4.057 0.145 1
1 445 . 15 1 1 A 60 60 GLU C C 60 175.834 177.716 -1.882 1
1 446 . 15 1 1 A 60 60 GLU CA C 60 58.503 58.550 -0.047 1
1 447 . 15 1 1 A 60 60 GLU CB C 60 30.041 29.014 1.027 1
1 449 . 15 1 1 A 60 60 GLU N N 60 130.690 127.320 3.370 1
1 450 . 15 1 1 A 61 61 GLU H H 61 8.751 7.604 1.147 1
1 451 . 15 1 1 A 61 61 GLU HA H 61 4.542 4.382 0.160 1
1 456 . 15 1 1 A 61 61 GLU C C 61 177.312 178.349 -1.037 1
1 457 . 15 1 1 A 61 61 GLU CA C 61 58.094 58.230 -0.136 1
1 458 . 15 1 1 A 61 61 GLU CB C 61 31.037 30.876 0.161 1
1 460 . 15 1 1 A 61 61 GLU N N 61 120.904 118.165 2.739 1
1 461 . 15 1 1 A 62 62 CYS H H 62 8.401 7.313 1.088 1
1 462 . 15 1 1 A 62 62 CYS HA H 62 5.014 4.621 0.393 1
1 465 . 15 1 1 A 62 62 CYS C C 62 177.324 175.520 1.804 1
1 466 . 15 1 1 A 62 62 CYS CA C 62 59.127 58.442 0.685 1
1 467 . 15 1 1 A 62 62 CYS CB C 62 33.355 29.151 4.204 1
1 468 . 15 1 1 A 62 62 CYS N N 62 117.947 114.144 3.803 1
1 469 . 15 1 1 A 63 63 GLY H H 63 8.048 8.066 -0.018 1
1 470 . 15 1 1 A 63 63 GLY HA2 H 63 4.234 3.942 0.292 1
1 471 . 15 1 1 A 63 63 GLY HA3 H 63 3.820 3.945 -0.125 1
1 472 . 15 1 1 A 63 63 GLY C C 63 172.914 174.838 -1.924 1
1 473 . 15 1 1 A 63 63 GLY CA C 63 46.163 46.586 -0.423 1
1 474 . 15 1 1 A 63 63 GLY N N 63 113.407 111.135 2.272 1
1 475 . 15 1 1 A 64 64 ALA H H 64 9.148 8.044 1.104 1
1 476 . 15 1 1 A 64 64 ALA HA H 64 4.536 4.464 0.072 1
1 480 . 15 1 1 A 64 64 ALA CA C 64 51.510 50.755 0.755 1
1 481 . 15 1 1 A 64 64 ALA CB C 64 19.099 18.979 0.120 1
1 482 . 15 1 1 A 64 64 ALA N N 64 127.297 123.512 3.785 1
1 483 . 15 1 1 A 65 65 PRO HA H 65 4.583 4.512 0.071 1
1 490 . 15 1 1 A 65 65 PRO C C 65 177.423 176.838 0.585 1
1 491 . 15 1 1 A 65 65 PRO CA C 65 63.020 63.108 -0.088 1
1 492 . 15 1 1 A 65 65 PRO CB C 65 31.832 31.602 0.230 1
1 495 . 15 1 1 A 66 66 ILE H H 66 8.053 8.170 -0.117 1
1 496 . 15 1 1 A 66 66 ILE HA H 66 4.330 4.287 0.043 1
1 506 . 15 1 1 A 66 66 ILE CA C 66 58.847 60.023 -1.176 1
1 507 . 15 1 1 A 66 66 ILE CB C 66 38.162 38.233 -0.071 1
1 511 . 15 1 1 A 66 66 ILE N N 66 125.090 124.124 0.966 1
1 512 . 15 1 1 A 67 67 PRO HA H 67 4.447 4.742 -0.295 1
1 519 . 15 1 1 A 67 67 PRO C C 67 177.325 177.688 -0.363 1
1 520 . 15 1 1 A 67 67 PRO CA C 67 62.883 61.978 0.905 1
1 521 . 15 1 1 A 67 67 PRO CB C 67 32.692 32.912 -0.220 1
1 524 . 15 1 1 A 68 68 GLN H H 68 8.982 8.602 0.380 1
1 525 . 15 1 1 A 68 68 GLN HA H 68 3.791 3.990 -0.199 1
1 532 . 15 1 1 A 68 68 GLN C C 68 177.316 178.235 -0.919 1
1 533 . 15 1 1 A 68 68 GLN CA C 68 59.491 58.452 1.039 1
1 534 . 15 1 1 A 68 68 GLN CB C 68 27.882 28.045 -0.163 1
1 536 . 15 1 1 A 68 68 GLN N N 68 124.876 120.909 3.967 1
1 538 . 15 1 1 A 69 69 ALA H H 69 8.892 8.311 0.581 1
1 539 . 15 1 1 A 69 69 ALA HA H 69 4.100 4.012 0.088 1
1 543 . 15 1 1 A 69 69 ALA C C 69 180.347 179.630 0.717 1
1 544 . 15 1 1 A 69 69 ALA CA C 69 55.209 55.297 -0.088 1
1 545 . 15 1 1 A 69 69 ALA CB C 69 18.097 18.302 -0.205 1
1 546 . 15 1 1 A 69 69 ALA N N 69 118.268 123.024 -4.756 1
1 547 . 15 1 1 A 70 70 ARG H H 70 7.020 7.949 -0.929 1
1 548 . 15 1 1 A 70 70 ARG HA H 70 4.234 4.092 0.142 1
1 555 . 15 1 1 A 70 70 ARG C C 70 176.438 178.656 -2.218 1
1 556 . 15 1 1 A 70 70 ARG CA C 70 58.791 58.980 -0.189 1
1 557 . 15 1 1 A 70 70 ARG CB C 70 29.544 29.829 -0.285 1
1 560 . 15 1 1 A 70 70 ARG N N 70 119.170 117.652 1.518 1
1 561 . 15 1 1 A 71 71 ARG H H 71 7.754 7.407 0.347 1
1 562 . 15 1 1 A 71 71 ARG HA H 71 3.807 4.178 -0.371 1
1 569 . 15 1 1 A 71 71 ARG C C 71 179.191 178.343 0.848 1
1 570 . 15 1 1 A 71 71 ARG CA C 71 59.782 59.025 0.757 1
1 571 . 15 1 1 A 71 71 ARG CB C 71 30.564 29.991 0.573 1
1 574 . 15 1 1 A 71 71 ARG N N 71 116.460 118.835 -2.375 1
1 575 . 15 1 1 A 72 72 GLU H H 72 8.062 8.034 0.028 1
1 576 . 15 1 1 A 72 72 GLU HA H 72 4.014 4.181 -0.167 1
1 581 . 15 1 1 A 72 72 GLU C C 72 177.357 179.038 -1.681 1
1 582 . 15 1 1 A 72 72 GLU CA C 72 57.860 58.647 -0.787 1
1 583 . 15 1 1 A 72 72 GLU CB C 72 29.978 29.661 0.317 1
1 585 . 15 1 1 A 72 72 GLU N N 72 114.904 118.274 -3.370 1
1 586 . 15 1 1 A 73 73 ALA H H 73 7.686 7.474 0.212 1
1 587 . 15 1 1 A 73 73 ALA HA H 73 4.199 4.132 0.067 1
1 591 . 15 1 1 A 73 73 ALA C C 73 178.246 177.656 0.590 1
1 592 . 15 1 1 A 73 73 ALA CA C 73 54.110 54.675 -0.565 1
1 593 . 15 1 1 A 73 73 ALA CB C 73 19.546 19.383 0.163 1
1 594 . 15 1 1 A 73 73 ALA N N 73 120.673 121.420 -0.747 1
1 595 . 15 1 1 A 74 74 ILE H H 74 7.609 7.867 -0.258 1
1 596 . 15 1 1 A 74 74 ILE HA H 74 4.318 4.437 -0.119 1
1 606 . 15 1 1 A 74 74 ILE CA C 74 57.722 57.871 -0.149 1
1 607 . 15 1 1 A 74 74 ILE CB C 74 38.313 40.548 -2.235 1
1 611 . 15 1 1 A 74 74 ILE N N 74 117.475 117.524 -0.049 1
1 612 . 15 1 1 A 75 75 PRO HA H 75 4.267 4.534 -0.267 1
1 619 . 15 1 1 A 75 75 PRO C C 75 179.050 176.030 3.020 1
1 620 . 15 1 1 A 75 75 PRO CA C 75 63.966 63.075 0.891 1
1 621 . 15 1 1 A 75 75 PRO CB C 75 31.409 30.142 1.267 1
1 624 . 15 1 1 A 76 76 GLY H H 76 8.594 7.326 1.268 1
1 625 . 15 1 1 A 76 76 GLY HA2 H 76 4.081 4.092 -0.011 1
1 626 . 15 1 1 A 76 76 GLY HA3 H 76 3.402 4.093 -0.691 1
1 627 . 15 1 1 A 76 76 GLY C C 76 174.447 174.188 0.259 1
1 628 . 15 1 1 A 76 76 GLY CA C 76 45.138 45.574 -0.436 1
1 629 . 15 1 1 A 76 76 GLY N N 76 113.042 108.349 4.693 1
1 630 . 15 1 1 A 77 77 VAL H H 77 8.185 7.941 0.244 1
1 631 . 15 1 1 A 77 77 VAL HA H 77 3.955 4.321 -0.366 1
1 639 . 15 1 1 A 77 77 VAL C C 77 173.122 175.902 -2.780 1
1 640 . 15 1 1 A 77 77 VAL CA C 77 63.160 61.912 1.248 1
1 641 . 15 1 1 A 77 77 VAL CB C 77 30.748 32.723 -1.975 1
1 644 . 15 1 1 A 77 77 VAL N N 77 124.214 120.595 3.619 1
1 645 . 15 1 1 A 78 78 ARG H H 78 8.635 8.778 -0.143 1
1 646 . 15 1 1 A 78 78 ARG HA H 78 4.547 4.671 -0.124 1
1 653 . 15 1 1 A 78 78 ARG C C 78 173.948 175.500 -1.552 1
1 654 . 15 1 1 A 78 78 ARG CA C 78 55.410 55.525 -0.115 1
1 655 . 15 1 1 A 78 78 ARG CB C 78 33.618 31.428 2.190 1
1 658 . 15 1 1 A 78 78 ARG N N 78 121.505 124.834 -3.329 1
1 659 . 15 1 1 A 79 79 LEU H H 79 7.037 7.517 -0.480 1
1 660 . 15 1 1 A 79 79 LEU HA H 79 6.078 4.796 1.282 1
1 670 . 15 1 1 A 79 79 LEU C C 79 178.615 176.438 2.177 1
1 671 . 15 1 1 A 79 79 LEU CA C 79 52.286 53.020 -0.734 1
1 672 . 15 1 1 A 79 79 LEU CB C 79 46.763 44.947 1.816 1
1 676 . 15 1 1 A 79 79 LEU N N 79 116.511 120.929 -4.418 1
1 677 . 15 1 1 A 80 80 CYS H H 80 9.639 8.849 0.790 1
1 678 . 15 1 1 A 80 80 CYS HA H 80 4.595 4.571 0.024 1
1 681 . 15 1 1 A 80 80 CYS C C 80 174.898 175.390 -0.492 1
1 682 . 15 1 1 A 80 80 CYS CA C 80 57.983 58.465 -0.482 1
1 683 . 15 1 1 A 80 80 CYS CB C 80 31.306 29.578 1.728 1
1 684 . 15 1 1 A 80 80 CYS N N 80 121.517 122.248 -0.731 1
1 685 . 15 1 1 A 81 81 ILE H H 81 9.215 8.520 0.695 1
1 686 . 15 1 1 A 81 81 ILE HA H 81 3.836 3.818 0.018 1
1 696 . 15 1 1 A 81 81 ILE C C 81 176.081 177.481 -1.400 1
1 697 . 15 1 1 A 81 81 ILE CA C 81 63.715 64.269 -0.554 1
1 698 . 15 1 1 A 81 81 ILE CB C 81 38.309 37.723 0.586 1
1 702 . 15 1 1 A 81 81 ILE N N 81 119.426 122.914 -3.488 1
1 703 . 15 1 1 A 82 82 HIS H H 82 7.439 7.775 -0.336 1
1 704 . 15 1 1 A 82 82 HIS HA H 82 4.354 4.373 -0.019 1
1 709 . 15 1 1 A 82 82 HIS C C 82 178.603 178.334 0.269 1
1 710 . 15 1 1 A 82 82 HIS CA C 82 59.802 59.541 0.261 1
1 711 . 15 1 1 A 82 82 HIS CB C 82 30.164 29.393 0.771 1
1 714 . 15 1 1 A 82 82 HIS N N 82 122.605 119.369 3.236 1
1 715 . 15 1 1 A 83 83 CYS H H 83 8.960 8.003 0.957 1
1 716 . 15 1 1 A 83 83 CYS HA H 83 3.995 4.517 -0.522 1
1 719 . 15 1 1 A 83 83 CYS C C 83 178.676 177.079 1.597 1
1 720 . 15 1 1 A 83 83 CYS CA C 83 64.648 61.538 3.110 1
1 721 . 15 1 1 A 83 83 CYS CB C 83 29.618 26.625 2.993 1
1 722 . 15 1 1 A 83 83 CYS N N 83 124.742 117.610 7.132 1
1 723 . 15 1 1 A 84 84 GLN H H 84 8.525 8.113 0.412 1
1 724 . 15 1 1 A 84 84 GLN HA H 84 3.812 4.123 -0.311 1
1 731 . 15 1 1 A 84 84 GLN C C 84 177.478 178.194 -0.716 1
1 732 . 15 1 1 A 84 84 GLN CA C 84 58.750 58.927 -0.177 1
1 733 . 15 1 1 A 84 84 GLN CB C 84 28.372 28.772 -0.400 1
1 735 . 15 1 1 A 84 84 GLN N N 84 120.642 121.327 -0.685 1
1 737 . 15 1 1 A 85 85 GLN H H 85 8.100 8.199 -0.099 1
1 738 . 15 1 1 A 85 85 GLN HA H 85 4.117 4.042 0.075 1
1 745 . 15 1 1 A 85 85 GLN C C 85 178.483 177.844 0.639 1
1 746 . 15 1 1 A 85 85 GLN CA C 85 58.857 58.648 0.209 1
1 747 . 15 1 1 A 85 85 GLN CB C 85 28.261 28.562 -0.301 1
1 749 . 15 1 1 A 85 85 GLN N N 85 118.154 117.822 0.332 1
1 751 . 15 1 1 A 86 86 GLU H H 86 7.657 8.401 -0.744 1
1 752 . 15 1 1 A 86 86 GLU HA H 86 4.049 4.065 -0.016 1
1 757 . 15 1 1 A 86 86 GLU C C 86 178.798 178.547 0.251 1
1 758 . 15 1 1 A 86 86 GLU CA C 86 58.852 59.374 -0.522 1
1 759 . 15 1 1 A 86 86 GLU CB C 86 29.716 29.270 0.446 1
1 761 . 15 1 1 A 86 86 GLU N N 86 118.055 119.090 -1.035 1
1 762 . 15 1 1 A 87 87 LYS H H 87 7.799 8.000 -0.201 1
1 763 . 15 1 1 A 87 87 LYS HA H 87 4.056 4.134 -0.078 1
1 772 . 15 1 1 A 87 87 LYS C C 87 179.025 179.368 -0.343 1
1 773 . 15 1 1 A 87 87 LYS CA C 87 58.452 58.804 -0.352 1
1 774 . 15 1 1 A 87 87 LYS CB C 87 32.067 32.141 -0.074 1
1 778 . 15 1 1 A 87 87 LYS N N 87 119.741 120.101 -0.360 1
1 779 . 15 1 1 A 88 88 ASP H H 88 8.300 8.279 0.021 1
1 780 . 15 1 1 A 88 88 ASP HA H 88 4.461 4.446 0.015 1
1 783 . 15 1 1 A 88 88 ASP C C 88 177.597 177.942 -0.345 1
1 784 . 15 1 1 A 88 88 ASP CA C 88 56.228 56.717 -0.489 1
1 785 . 15 1 1 A 88 88 ASP CB C 88 40.500 41.473 -0.973 1
1 786 . 15 1 1 A 88 88 ASP N N 88 119.700 119.794 -0.094 1
1 787 . 15 1 1 A 89 89 LEU H H 89 7.672 7.891 -0.219 1
1 788 . 15 1 1 A 89 89 LEU HA H 89 4.227 4.149 0.078 1
1 798 . 15 1 1 A 89 89 LEU C C 89 177.757 177.392 0.365 1
1 799 . 15 1 1 A 89 89 LEU CA C 89 55.938 56.104 -0.166 1
1 800 . 15 1 1 A 89 89 LEU CB C 89 42.267 41.861 0.406 1
1 804 . 15 1 1 A 89 89 LEU N N 89 119.729 118.043 1.686 1
1 805 . 15 1 1 A 90 90 GLN H H 90 7.823 7.414 0.409 1
1 806 . 15 1 1 A 90 90 GLN HA H 90 4.264 4.540 -0.276 1
1 813 . 15 1 1 A 90 90 GLN C C 90 175.896 176.066 -0.170 1
1 814 . 15 1 1 A 90 90 GLN CA C 90 55.828 55.312 0.516 1
1 815 . 15 1 1 A 90 90 GLN CB C 90 28.871 29.113 -0.242 1
1 817 . 15 1 1 A 90 90 GLN N N 90 118.133 115.920 2.213 1
1 819 . 15 1 1 A 91 91 LYS H H 91 8.016 7.259 0.757 1
1 820 . 15 1 1 A 91 91 LYS HA H 91 4.561 4.337 0.224 1
1 829 . 15 1 1 A 91 91 LYS CA C 91 54.567 55.037 -0.470 1
1 830 . 15 1 1 A 91 91 LYS CB C 91 32.373 32.472 -0.099 1
1 834 . 15 1 1 A 91 91 LYS N N 91 122.571 121.360 1.211 1
1 835 . 15 1 1 A 92 92 PRO HA H 92 4.372 4.472 -0.100 1
1 842 . 15 1 1 A 92 92 PRO C C 92 176.665 177.547 -0.882 1
1 843 . 15 1 1 A 92 92 PRO CA C 92 63.251 64.129 -0.878 1
1 844 . 15 1 1 A 92 92 PRO CB C 92 32.073 31.849 0.224 1
1 847 . 15 1 1 A 93 93 ALA H H 93 8.364 7.967 0.397 1
1 848 . 15 1 1 A 93 93 ALA HA H 93 4.245 4.054 0.191 1
1 852 . 15 1 1 A 93 93 ALA C C 93 177.504 175.870 1.634 1
1 853 . 15 1 1 A 93 93 ALA CA C 93 52.458 54.398 -1.940 1
1 854 . 15 1 1 A 93 93 ALA CB C 93 19.247 18.071 1.176 1
1 855 . 15 1 1 A 93 93 ALA N N 93 123.718 119.730 3.988 1
1 856 . 15 1 1 A 94 94 TYR H H 94 8.153 7.404 0.749 1
1 857 . 15 1 1 A 94 94 TYR HA H 94 4.626 4.810 -0.184 1
1 864 . 15 1 1 A 94 94 TYR C C 94 176.141 175.183 0.958 1
1 865 . 15 1 1 A 94 94 TYR CA C 94 57.859 56.251 1.608 1
1 866 . 15 1 1 A 94 94 TYR CB C 94 38.793 40.289 -1.496 1
1 871 . 15 1 1 A 94 94 TYR N N 94 119.293 113.242 6.051 1
1 872 . 15 1 1 A 95 95 THR H H 95 8.119 8.548 -0.429 1
1 873 . 15 1 1 A 95 95 THR HA H 95 4.286 4.540 -0.254 1
1 878 . 15 1 1 A 95 95 THR C C 95 174.813 176.123 -1.310 1
1 879 . 15 1 1 A 95 95 THR CA C 95 61.758 61.830 -0.072 1
1 880 . 15 1 1 A 95 95 THR CB C 95 69.860 71.615 -1.755 1
1 882 . 15 1 1 A 95 95 THR N N 95 115.890 111.781 4.109 1
1 883 . 15 1 1 A 96 96 GLY H H 96 7.669 8.430 -0.761 1
1 884 . 15 1 1 A 96 96 GLY HA2 H 96 3.875 4.009 -0.134 1
1 885 . 15 1 1 A 96 96 GLY HA3 H 96 3.822 4.102 -0.280 1
1 886 . 15 1 1 A 96 96 GLY C C 96 173.774 174.577 -0.803 1
1 887 . 15 1 1 A 96 96 GLY CA C 96 45.320 45.968 -0.648 1
1 888 . 15 1 1 A 96 96 GLY N N 96 110.133 111.966 -1.833 1
1 889 . 15 1 1 A 97 97 TYR H H 97 8.028 7.744 0.284 1
1 890 . 15 1 1 A 97 97 TYR HA H 97 4.510 4.968 -0.458 1
1 897 . 15 1 1 A 97 97 TYR CA C 97 58.115 58.950 -0.835 1
1 898 . 15 1 1 A 97 97 TYR CB C 97 38.769 39.395 -0.626 1
1 903 . 15 1 1 A 97 97 TYR N N 97 119.945 119.630 0.315 1
1 904 . 15 1 1 A 98 98 ASN HA H 98 4.641 5.250 -0.609 1
1 909 . 15 1 1 A 98 98 ASN C C 98 174.882 175.329 -0.447 1
1 910 . 15 1 1 A 98 98 ASN CA C 98 53.067 52.145 0.922 1
1 911 . 15 1 1 A 98 98 ASN CB C 98 38.835 39.035 -0.200 1
1 913 . 15 1 1 A 99 99 ARG H H 99 8.226 7.712 0.514 1
1 914 . 15 1 1 A 99 99 ARG HA H 99 4.259 4.636 -0.377 1
1 921 . 15 1 1 A 99 99 ARG C C 99 176.406 176.163 0.243 1
1 922 . 15 1 1 A 99 99 ARG CA C 99 56.464 54.993 1.471 1
1 923 . 15 1 1 A 99 99 ARG CB C 99 30.588 28.814 1.774 1
1 926 . 15 1 1 A 99 99 ARG N N 99 121.620 121.557 0.063 1
1 927 . 15 1 1 A 100 100 ARG H H 100 8.398 8.858 -0.460 1
1 928 . 15 1 1 A 100 100 ARG N N 100 121.935 127.472 -5.537 1
1 929 . 15 1 1 A 101 101 GLY HA2 H 101 3.835 4.055 -0.220 1
1 930 . 15 1 1 A 101 101 GLY HA3 H 101 3.835 4.056 -0.221 1
1 931 . 15 1 1 A 101 101 GLY CA C 101 43.935 45.725 -1.790 1
1 932 . 15 1 1 A 102 102 SER HA H 102 4.460 4.475 -0.015 1
1 935 . 15 1 1 A 102 102 SER CA C 102 58.458 59.038 -0.580 1
1 936 . 15 1 1 A 102 102 SER CB C 102 64.128 63.672 0.456 1
1 937 . 15 1 1 A 103 103 LYS H H 103 8.524 9.026 -0.502 1
1 938 . 15 1 1 A 103 103 LYS HA H 103 4.305 3.939 0.366 1
1 947 . 15 1 1 A 103 103 LYS CA C 103 56.788 60.410 -3.622 1
1 948 . 15 1 1 A 103 103 LYS CB C 103 32.766 32.317 0.449 1
1 952 . 15 1 1 A 103 103 LYS N N 103 123.092 124.592 -1.500 1
1 953 . 15 1 1 A 104 104 ASP H H 104 8.316 8.214 0.102 1
1 954 . 15 1 1 A 104 104 ASP HA H 104 4.612 4.299 0.313 1
1 957 . 15 1 1 A 104 104 ASP C C 104 176.493 175.966 0.527 1
1 958 . 15 1 1 A 104 104 ASP CA C 104 54.704 54.890 -0.186 1
1 959 . 15 1 1 A 104 104 ASP CB C 104 41.277 39.230 2.047 1
1 960 . 15 1 1 A 104 104 ASP N N 104 120.807 119.259 1.548 1
1 961 . 15 1 1 A 105 105 SER H H 105 8.215 8.102 0.113 1
1 962 . 15 1 1 A 105 105 SER HA H 105 4.390 4.748 -0.358 1
1 965 . 15 1 1 A 105 105 SER C C 105 174.659 173.632 1.027 1
1 966 . 15 1 1 A 105 105 SER CA C 105 58.889 57.769 1.120 1
1 967 . 15 1 1 A 105 105 SER CB C 105 63.781 65.785 -2.004 1
1 968 . 15 1 1 A 105 105 SER N N 105 116.100 120.560 -4.460 1
1 969 . 15 1 1 A 106 106 GLN H H 106 8.396 7.777 0.619 1
1 970 . 15 1 1 A 106 106 GLN HA H 106 4.344 4.947 -0.603 1
1 977 . 15 1 1 A 106 106 GLN C C 106 175.746 175.847 -0.101 1
1 978 . 15 1 1 A 106 106 GLN CA C 106 55.981 54.434 1.547 1
1 979 . 15 1 1 A 106 106 GLN CB C 106 29.351 31.575 -2.224 1
1 981 . 15 1 1 A 106 106 GLN N N 106 121.640 120.279 1.361 1
1 983 . 15 1 1 A 107 107 LEU H H 107 8.172 8.388 -0.216 1
1 984 . 15 1 1 A 107 107 LEU HA H 107 4.348 4.696 -0.348 1
1 994 . 15 1 1 A 107 107 LEU C C 107 176.328 177.260 -0.932 1
1 995 . 15 1 1 A 107 107 LEU CA C 107 55.385 53.983 1.402 1
1 996 . 15 1 1 A 107 107 LEU CB C 107 42.163 42.026 0.137 1
1 1000 . 15 1 1 A 107 107 LEU N N 107 123.200 118.947 4.253 1
1 12 . 16 1 1 A 22 22 ALA H H 22 8.289 8.459 -0.170 1
1 13 . 16 1 1 A 22 22 ALA HA H 22 4.277 4.134 0.143 1
1 17 . 16 1 1 A 22 22 ALA C C 22 177.730 176.123 1.607 1
1 18 . 16 1 1 A 22 22 ALA CA C 22 52.742 51.265 1.477 1
1 19 . 16 1 1 A 22 22 ALA CB C 22 19.263 17.891 1.372 1
1 20 . 16 1 1 A 22 22 ALA N N 22 125.042 130.312 -5.270 1
1 21 . 16 1 1 A 23 23 SER H H 23 8.253 8.278 -0.025 1
1 22 . 16 1 1 A 23 23 SER HA H 23 4.374 5.134 -0.760 1
1 25 . 16 1 1 A 23 23 SER C C 23 175.066 174.794 0.272 1
1 26 . 16 1 1 A 23 23 SER CA C 23 58.670 56.549 2.121 1
1 27 . 16 1 1 A 23 23 SER CB C 23 63.822 66.601 -2.779 1
1 28 . 16 1 1 A 23 23 SER N N 23 114.713 118.534 -3.821 1
1 29 . 16 1 1 A 24 24 GLY H H 24 8.368 8.911 -0.543 1
1 30 . 16 1 1 A 24 24 GLY HA2 H 24 3.945 4.016 -0.071 1
1 31 . 16 1 1 A 24 24 GLY HA3 H 24 3.886 4.046 -0.160 1
1 32 . 16 1 1 A 24 24 GLY C C 24 173.906 174.555 -0.649 1
1 33 . 16 1 1 A 24 24 GLY CA C 24 45.410 47.319 -1.909 1
1 34 . 16 1 1 A 24 24 GLY N N 24 110.595 114.165 -3.570 1
1 35 . 16 1 1 A 25 25 TRP H H 25 7.961 8.723 -0.762 1
1 36 . 16 1 1 A 25 25 TRP HA H 25 4.632 4.311 0.321 1
1 45 . 16 1 1 A 25 25 TRP C C 25 175.880 175.957 -0.077 1
1 46 . 16 1 1 A 25 25 TRP CA C 25 57.289 60.082 -2.793 1
1 47 . 16 1 1 A 25 25 TRP CB C 25 29.725 29.031 0.694 1
1 53 . 16 1 1 A 25 25 TRP N N 25 120.881 124.190 -3.309 1
1 55 . 16 1 1 A 26 26 ALA H H 26 8.129 7.479 0.650 1
1 56 . 16 1 1 A 26 26 ALA HA H 26 4.222 4.249 -0.027 1
1 60 . 16 1 1 A 26 26 ALA C C 26 176.977 176.178 0.799 1
1 61 . 16 1 1 A 26 26 ALA CA C 26 52.345 51.150 1.195 1
1 62 . 16 1 1 A 26 26 ALA CB C 26 19.414 19.431 -0.017 1
1 63 . 16 1 1 A 26 26 ALA N N 26 125.541 119.553 5.988 1
1 64 . 16 1 1 A 27 27 ASN H H 27 8.139 7.895 0.244 1
1 65 . 16 1 1 A 27 27 ASN HA H 27 4.581 5.288 -0.707 1
1 70 . 16 1 1 A 27 27 ASN C C 27 175.044 173.511 1.533 1
1 71 . 16 1 1 A 27 27 ASN CA C 27 53.260 52.015 1.245 1
1 72 . 16 1 1 A 27 27 ASN CB C 27 39.022 41.862 -2.840 1
1 73 . 16 1 1 A 27 27 ASN N N 27 117.794 115.571 2.223 1
1 75 . 16 1 1 A 28 28 ASP H H 28 8.286 8.396 -0.110 1
1 76 . 16 1 1 A 28 28 ASP HA H 28 4.581 5.051 -0.470 1
1 79 . 16 1 1 A 28 28 ASP C C 28 176.163 175.388 0.775 1
1 80 . 16 1 1 A 28 28 ASP CA C 28 54.629 53.373 1.256 1
1 81 . 16 1 1 A 28 28 ASP CB C 28 41.129 44.199 -3.070 1
1 82 . 16 1 1 A 28 28 ASP N N 28 120.788 120.342 0.446 1
1 83 . 16 1 1 A 29 29 ASP H H 29 8.287 8.867 -0.580 1
1 84 . 16 1 1 A 29 29 ASP HA H 29 4.546 4.237 0.309 1
1 87 . 16 1 1 A 29 29 ASP C C 29 176.359 176.845 -0.486 1
1 88 . 16 1 1 A 29 29 ASP CA C 29 54.883 57.478 -2.595 1
1 89 . 16 1 1 A 29 29 ASP CB C 29 41.050 40.996 0.054 1
1 90 . 16 1 1 A 29 29 ASP N N 29 120.641 124.518 -3.877 1
1 91 . 16 1 1 A 30 30 ALA H H 30 8.141 7.686 0.455 1
1 92 . 16 1 1 A 30 30 ALA HA H 30 4.278 4.450 -0.172 1
1 96 . 16 1 1 A 30 30 ALA C C 30 178.218 177.628 0.590 1
1 97 . 16 1 1 A 30 30 ALA CA C 30 53.006 51.772 1.234 1
1 98 . 16 1 1 A 30 30 ALA CB C 30 19.115 19.222 -0.107 1
1 99 . 16 1 1 A 30 30 ALA N N 30 123.561 118.559 5.002 1
1 100 . 16 1 1 A 31 31 VAL H H 31 7.996 7.882 0.114 1
1 101 . 16 1 1 A 31 31 VAL HA H 31 4.010 4.325 -0.315 1
1 109 . 16 1 1 A 31 31 VAL C C 31 175.417 177.309 -1.892 1
1 110 . 16 1 1 A 31 31 VAL CA C 31 62.896 62.119 0.777 1
1 111 . 16 1 1 A 31 31 VAL CB C 31 32.567 34.160 -1.593 1
1 114 . 16 1 1 A 31 31 VAL N N 31 118.676 117.713 0.963 1
1 115 . 16 1 1 A 32 32 ASN H H 32 8.364 7.630 0.734 1
1 116 . 16 1 1 A 32 32 ASN HA H 32 4.694 4.486 0.208 1
1 121 . 16 1 1 A 32 32 ASN C C 32 174.659 177.325 -2.666 1
1 122 . 16 1 1 A 32 32 ASN CA C 32 53.547 55.639 -2.092 1
1 123 . 16 1 1 A 32 32 ASN CB C 32 38.939 38.824 0.115 1
1 124 . 16 1 1 A 32 32 ASN N N 32 121.518 120.731 0.787 1
1 126 . 16 1 1 A 33 33 GLU H H 33 8.380 8.091 0.289 1
1 127 . 16 1 1 A 33 33 GLU HA H 33 4.240 4.059 0.181 1
1 132 . 16 1 1 A 33 33 GLU C C 33 176.641 178.404 -1.763 1
1 133 . 16 1 1 A 33 33 GLU CA C 33 57.074 59.334 -2.260 1
1 134 . 16 1 1 A 33 33 GLU CB C 33 30.212 29.226 0.986 1
1 136 . 16 1 1 A 33 33 GLU N N 33 121.497 118.275 3.222 1
1 137 . 16 1 1 A 34 34 GLN H H 34 8.333 7.640 0.693 1
1 138 . 16 1 1 A 34 34 GLN HA H 34 4.315 4.173 0.142 1
1 145 . 16 1 1 A 34 34 GLN C C 34 176.325 178.768 -2.443 1
1 146 . 16 1 1 A 34 34 GLN CA C 34 56.232 58.194 -1.962 1
1 147 . 16 1 1 A 34 34 GLN CB C 34 29.304 28.079 1.225 1
1 149 . 16 1 1 A 34 34 GLN N N 34 120.891 118.065 2.826 1
1 151 . 16 1 1 A 35 35 ILE H H 35 8.155 7.405 0.750 1
1 152 . 16 1 1 A 35 35 ILE HA H 35 4.116 3.934 0.182 1
1 162 . 16 1 1 A 35 35 ILE C C 35 176.203 176.487 -0.284 1
1 163 . 16 1 1 A 35 35 ILE CA C 35 61.645 64.894 -3.249 1
1 164 . 16 1 1 A 35 35 ILE CB C 35 38.640 37.503 1.137 1
1 168 . 16 1 1 A 35 35 ILE N N 35 121.784 117.769 4.015 1
1 169 . 16 1 1 A 36 36 ASN H H 36 8.504 7.483 1.021 1
1 170 . 16 1 1 A 36 36 ASN HA H 36 4.760 4.396 0.364 1
1 175 . 16 1 1 A 36 36 ASN C C 36 175.468 176.203 -0.735 1
1 176 . 16 1 1 A 36 36 ASN CA C 36 53.504 53.979 -0.475 1
1 177 . 16 1 1 A 36 36 ASN CB C 36 38.947 38.983 -0.036 1
1 178 . 16 1 1 A 36 36 ASN N N 36 122.204 120.368 1.836 1
1 180 . 16 1 1 A 37 37 SER H H 37 8.380 8.751 -0.371 1
1 181 . 16 1 1 A 37 37 SER HA H 37 4.505 4.372 0.133 1
1 184 . 16 1 1 A 37 37 SER C C 37 174.990 174.063 0.927 1
1 185 . 16 1 1 A 37 37 SER CA C 37 58.963 61.204 -2.241 1
1 186 . 16 1 1 A 37 37 SER CB C 37 63.760 61.637 2.123 1
1 187 . 16 1 1 A 37 37 SER N N 37 116.788 115.412 1.376 1
1 188 . 16 1 1 A 38 38 THR H H 38 8.302 8.030 0.272 1
1 189 . 16 1 1 A 38 38 THR HA H 38 4.369 4.002 0.367 1
1 194 . 16 1 1 A 38 38 THR C C 38 175.437 176.440 -1.003 1
1 195 . 16 1 1 A 38 38 THR CA C 38 62.751 66.904 -4.153 1
1 196 . 16 1 1 A 38 38 THR CB C 38 69.838 68.255 1.583 1
1 198 . 16 1 1 A 38 38 THR N N 38 116.285 115.439 0.846 1
1 199 . 16 1 1 A 39 39 ILE H H 39 8.153 8.021 0.132 1
1 200 . 16 1 1 A 39 39 ILE HA H 39 4.080 3.714 0.366 1
1 210 . 16 1 1 A 39 39 ILE C C 39 176.850 178.592 -1.742 1
1 211 . 16 1 1 A 39 39 ILE CA C 39 62.295 64.567 -2.272 1
1 212 . 16 1 1 A 39 39 ILE CB C 39 38.373 36.818 1.555 1
1 216 . 16 1 1 A 39 39 ILE N N 39 123.148 120.384 2.764 1
1 217 . 16 1 1 A 40 40 GLU H H 40 8.438 8.555 -0.117 1
1 218 . 16 1 1 A 40 40 GLU HA H 40 4.146 4.087 0.059 1
1 223 . 16 1 1 A 40 40 GLU C C 40 177.573 178.844 -1.271 1
1 224 . 16 1 1 A 40 40 GLU CA C 40 58.026 58.916 -0.890 1
1 225 . 16 1 1 A 40 40 GLU CB C 40 29.870 28.532 1.338 1
1 227 . 16 1 1 A 40 40 GLU N N 40 123.184 120.561 2.623 1
1 228 . 16 1 1 A 41 41 ASP H H 41 8.295 8.383 -0.088 1
1 229 . 16 1 1 A 41 41 ASP HA H 41 4.512 4.396 0.116 1
1 232 . 16 1 1 A 41 41 ASP C C 41 176.856 178.173 -1.317 1
1 233 . 16 1 1 A 41 41 ASP CA C 41 55.563 57.790 -2.227 1
1 234 . 16 1 1 A 41 41 ASP CB C 41 41.080 42.029 -0.949 1
1 235 . 16 1 1 A 41 41 ASP N N 41 121.311 120.932 0.379 1
1 236 . 16 1 1 A 42 42 ALA H H 42 8.098 7.721 0.377 1
1 237 . 16 1 1 A 42 42 ALA HA H 42 4.153 4.110 0.043 1
1 241 . 16 1 1 A 42 42 ALA C C 42 179.658 180.761 -1.103 1
1 242 . 16 1 1 A 42 42 ALA CA C 42 54.315 55.095 -0.780 1
1 243 . 16 1 1 A 42 42 ALA CB C 42 18.765 18.559 0.206 1
1 244 . 16 1 1 A 42 42 ALA N N 42 123.411 121.040 2.371 1
1 245 . 16 1 1 A 43 43 ILE H H 43 8.047 7.581 0.466 1
1 246 . 16 1 1 A 43 43 ILE HA H 43 3.904 3.744 0.160 1
1 256 . 16 1 1 A 43 43 ILE C C 43 176.603 178.156 -1.553 1
1 257 . 16 1 1 A 43 43 ILE CA C 43 63.028 64.625 -1.597 1
1 258 . 16 1 1 A 43 43 ILE CB C 43 38.140 36.713 1.427 1
1 262 . 16 1 1 A 43 43 ILE N N 43 119.853 118.594 1.259 1
1 263 . 16 1 1 A 44 44 ALA H H 44 8.072 7.889 0.183 1
1 264 . 16 1 1 A 44 44 ALA HA H 44 4.162 4.080 0.082 1
1 268 . 16 1 1 A 44 44 ALA C C 44 179.414 179.450 -0.036 1
1 269 . 16 1 1 A 44 44 ALA CA C 44 54.011 55.047 -1.036 1
1 270 . 16 1 1 A 44 44 ALA CB C 44 18.614 18.105 0.509 1
1 271 . 16 1 1 A 44 44 ALA N N 44 124.814 123.864 0.950 1
1 272 . 16 1 1 A 45 45 ARG H H 45 8.177 7.868 0.309 1
1 273 . 16 1 1 A 45 45 ARG HA H 45 4.187 4.164 0.023 1
1 280 . 16 1 1 A 45 45 ARG C C 45 177.629 178.256 -0.627 1
1 281 . 16 1 1 A 45 45 ARG CA C 45 57.569 57.282 0.287 1
1 282 . 16 1 1 A 45 45 ARG CB C 45 30.600 29.770 0.830 1
1 285 . 16 1 1 A 45 45 ARG N N 45 118.718 116.594 2.124 1
1 286 . 16 1 1 A 46 46 ALA H H 46 8.004 7.665 0.339 1
1 287 . 16 1 1 A 46 46 ALA HA H 46 4.274 4.242 0.032 1
1 291 . 16 1 1 A 46 46 ALA C C 46 178.519 178.416 0.103 1
1 292 . 16 1 1 A 46 46 ALA CA C 46 53.339 54.853 -1.514 1
1 293 . 16 1 1 A 46 46 ALA CB C 46 18.827 19.198 -0.371 1
1 294 . 16 1 1 A 46 46 ALA N N 46 123.416 122.983 0.433 1
1 295 . 16 1 1 A 47 47 ARG H H 47 8.082 7.630 0.452 1
1 296 . 16 1 1 A 47 47 ARG HA H 47 4.285 4.463 -0.178 1
1 303 . 16 1 1 A 47 47 ARG C C 47 177.103 176.727 0.376 1
1 304 . 16 1 1 A 47 47 ARG CA C 47 56.871 54.990 1.881 1
1 305 . 16 1 1 A 47 47 ARG CB C 47 30.655 31.239 -0.584 1
1 308 . 16 1 1 A 47 47 ARG N N 47 118.672 112.849 5.823 1
1 309 . 16 1 1 A 48 48 GLY H H 48 8.160 7.943 0.217 1
1 310 . 16 1 1 A 48 48 GLY HA2 H 48 3.976 3.931 0.045 1
1 311 . 16 1 1 A 48 48 GLY HA3 H 48 3.976 3.931 0.045 1
1 312 . 16 1 1 A 48 48 GLY C C 48 174.015 175.183 -1.168 1
1 313 . 16 1 1 A 48 48 GLY CA C 48 45.337 46.282 -0.945 1
1 314 . 16 1 1 A 48 48 GLY N N 48 108.533 109.455 -0.922 1
1 315 . 16 1 1 A 49 49 GLU H H 49 8.113 7.520 0.593 1
1 316 . 16 1 1 A 49 49 GLU HA H 49 4.317 4.006 0.311 1
1 321 . 16 1 1 A 49 49 GLU C C 49 176.216 176.658 -0.442 1
1 322 . 16 1 1 A 49 49 GLU CA C 49 56.125 59.159 -3.034 1
1 323 . 16 1 1 A 49 49 GLU CB C 49 30.497 29.915 0.582 1
1 325 . 16 1 1 A 49 49 GLU N N 49 120.272 121.184 -0.912 1
1 326 . 16 1 1 A 50 50 ILE H H 50 8.203 7.693 0.510 1
1 327 . 16 1 1 A 50 50 ILE HA H 50 4.419 4.259 0.160 1
1 337 . 16 1 1 A 50 50 ILE CA C 50 58.687 59.100 -0.413 1
1 338 . 16 1 1 A 50 50 ILE CB C 50 38.623 38.019 0.604 1
1 342 . 16 1 1 A 50 50 ILE N N 50 123.785 120.769 3.016 1
1 343 . 16 1 1 A 51 51 PRO HA H 51 4.414 4.648 -0.234 1
1 350 . 16 1 1 A 51 51 PRO C C 51 176.785 176.567 0.218 1
1 351 . 16 1 1 A 51 51 PRO CA C 51 63.188 62.320 0.868 1
1 352 . 16 1 1 A 51 51 PRO CB C 51 32.210 33.140 -0.930 1
1 355 . 16 1 1 A 52 52 ARG H H 52 8.545 9.006 -0.461 1
1 356 . 16 1 1 A 52 52 ARG HA H 52 4.300 4.233 0.067 1
1 363 . 16 1 1 A 52 52 ARG C C 52 176.985 176.388 0.597 1
1 364 . 16 1 1 A 52 52 ARG CA C 52 56.493 56.307 0.186 1
1 365 . 16 1 1 A 52 52 ARG CB C 52 30.944 30.428 0.516 1
1 368 . 16 1 1 A 52 52 ARG N N 52 122.009 119.604 2.405 1
1 369 . 16 1 1 A 53 53 GLY H H 53 8.504 7.877 0.627 1
1 370 . 16 1 1 A 53 53 GLY HA2 H 53 3.995 4.028 -0.033 1
1 371 . 16 1 1 A 53 53 GLY HA3 H 53 3.934 4.028 -0.094 1
1 372 . 16 1 1 A 53 53 GLY C C 53 173.562 174.561 -0.999 1
1 373 . 16 1 1 A 53 53 GLY CA C 53 44.990 45.210 -0.220 1
1 374 . 16 1 1 A 53 53 GLY N N 53 110.270 106.855 3.415 1
1 375 . 16 1 1 A 54 54 GLU H H 54 8.216 7.790 0.426 1
1 376 . 16 1 1 A 54 54 GLU HA H 54 4.364 4.569 -0.205 1
1 381 . 16 1 1 A 54 54 GLU C C 54 177.145 175.818 1.327 1
1 382 . 16 1 1 A 54 54 GLU CA C 54 55.883 55.721 0.162 1
1 383 . 16 1 1 A 54 54 GLU CB C 54 30.696 31.435 -0.739 1
1 385 . 16 1 1 A 54 54 GLU N N 54 119.939 120.261 -0.322 1
1 386 . 16 1 1 A 55 55 SER H H 55 8.916 8.738 0.178 1
1 387 . 16 1 1 A 55 55 SER HA H 55 4.544 4.665 -0.121 1
1 390 . 16 1 1 A 55 55 SER C C 55 174.434 174.241 0.193 1
1 391 . 16 1 1 A 55 55 SER CA C 55 58.592 58.267 0.325 1
1 392 . 16 1 1 A 55 55 SER CB C 55 63.662 63.993 -0.331 1
1 393 . 16 1 1 A 55 55 SER N N 55 118.742 117.945 0.797 1
1 394 . 16 1 1 A 56 56 LEU H H 56 8.598 8.441 0.157 1
1 395 . 16 1 1 A 56 56 LEU HA H 56 4.343 4.808 -0.465 1
1 405 . 16 1 1 A 56 56 LEU C C 56 176.024 176.337 -0.313 1
1 406 . 16 1 1 A 56 56 LEU CA C 56 54.782 52.746 2.036 1
1 407 . 16 1 1 A 56 56 LEU CB C 56 42.106 44.980 -2.874 1
1 411 . 16 1 1 A 56 56 LEU N N 56 125.386 120.988 4.398 1
1 412 . 16 1 1 A 57 57 ASP H H 57 8.211 8.543 -0.332 1
1 413 . 16 1 1 A 57 57 ASP HA H 57 4.545 4.921 -0.376 1
1 416 . 16 1 1 A 57 57 ASP C C 57 176.869 175.464 1.405 1
1 417 . 16 1 1 A 57 57 ASP CA C 57 54.978 53.421 1.557 1
1 418 . 16 1 1 A 57 57 ASP CB C 57 41.477 41.495 -0.018 1
1 419 . 16 1 1 A 57 57 ASP N N 57 115.979 117.608 -1.629 1
1 420 . 16 1 1 A 58 58 GLU H H 58 7.469 7.697 -0.228 1
1 421 . 16 1 1 A 58 58 GLU HA H 58 4.717 4.699 0.018 1
1 426 . 16 1 1 A 58 58 GLU C C 58 174.081 175.283 -1.202 1
1 427 . 16 1 1 A 58 58 GLU CA C 58 54.280 54.882 -0.602 1
1 428 . 16 1 1 A 58 58 GLU CB C 58 32.995 31.889 1.106 1
1 430 . 16 1 1 A 58 58 GLU N N 58 118.912 118.996 -0.084 1
1 431 . 16 1 1 A 59 59 CYS H H 59 9.364 8.730 0.634 1
1 432 . 16 1 1 A 59 59 CYS HA H 59 4.248 4.484 -0.236 1
1 435 . 16 1 1 A 59 59 CYS C C 59 178.266 176.665 1.601 1
1 436 . 16 1 1 A 59 59 CYS CA C 59 59.782 60.211 -0.429 1
1 437 . 16 1 1 A 59 59 CYS CB C 59 31.041 29.322 1.719 1
1 438 . 16 1 1 A 59 59 CYS N N 59 124.760 125.485 -0.725 1
1 439 . 16 1 1 A 60 60 GLU H H 60 9.202 8.923 0.279 1
1 440 . 16 1 1 A 60 60 GLU HA H 60 4.202 4.112 0.090 1
1 445 . 16 1 1 A 60 60 GLU C C 60 175.834 177.483 -1.649 1
1 446 . 16 1 1 A 60 60 GLU CA C 60 58.503 58.324 0.179 1
1 447 . 16 1 1 A 60 60 GLU CB C 60 30.041 28.611 1.430 1
1 449 . 16 1 1 A 60 60 GLU N N 60 130.690 127.216 3.474 1
1 450 . 16 1 1 A 61 61 GLU H H 61 8.751 7.996 0.755 1
1 451 . 16 1 1 A 61 61 GLU HA H 61 4.542 4.355 0.187 1
1 456 . 16 1 1 A 61 61 GLU C C 61 177.312 178.072 -0.760 1
1 457 . 16 1 1 A 61 61 GLU CA C 61 58.094 58.419 -0.325 1
1 458 . 16 1 1 A 61 61 GLU CB C 61 31.037 30.543 0.494 1
1 460 . 16 1 1 A 61 61 GLU N N 61 120.904 118.430 2.474 1
1 461 . 16 1 1 A 62 62 CYS H H 62 8.401 7.459 0.942 1
1 462 . 16 1 1 A 62 62 CYS HA H 62 5.014 4.530 0.484 1
1 465 . 16 1 1 A 62 62 CYS C C 62 177.324 176.153 1.171 1
1 466 . 16 1 1 A 62 62 CYS CA C 62 59.127 58.536 0.591 1
1 467 . 16 1 1 A 62 62 CYS CB C 62 33.355 27.554 5.801 1
1 468 . 16 1 1 A 62 62 CYS N N 62 117.947 114.206 3.741 1
1 469 . 16 1 1 A 63 63 GLY H H 63 8.048 7.924 0.124 1
1 470 . 16 1 1 A 63 63 GLY HA2 H 63 4.234 3.905 0.329 1
1 471 . 16 1 1 A 63 63 GLY HA3 H 63 3.820 3.907 -0.087 1
1 472 . 16 1 1 A 63 63 GLY C C 63 172.914 174.920 -2.006 1
1 473 . 16 1 1 A 63 63 GLY CA C 63 46.163 46.792 -0.629 1
1 474 . 16 1 1 A 63 63 GLY N N 63 113.407 111.434 1.973 1
1 475 . 16 1 1 A 64 64 ALA H H 64 9.148 7.970 1.178 1
1 476 . 16 1 1 A 64 64 ALA HA H 64 4.536 4.559 -0.023 1
1 480 . 16 1 1 A 64 64 ALA CA C 64 51.510 50.615 0.895 1
1 481 . 16 1 1 A 64 64 ALA CB C 64 19.099 19.070 0.029 1
1 482 . 16 1 1 A 64 64 ALA N N 64 127.297 123.523 3.774 1
1 483 . 16 1 1 A 65 65 PRO HA H 65 4.583 4.475 0.108 1
1 490 . 16 1 1 A 65 65 PRO C C 65 177.423 176.760 0.663 1
1 491 . 16 1 1 A 65 65 PRO CA C 65 63.020 63.321 -0.301 1
1 492 . 16 1 1 A 65 65 PRO CB C 65 31.832 31.924 -0.092 1
1 495 . 16 1 1 A 66 66 ILE H H 66 8.053 8.229 -0.176 1
1 496 . 16 1 1 A 66 66 ILE HA H 66 4.330 4.403 -0.073 1
1 506 . 16 1 1 A 66 66 ILE CA C 66 58.847 59.672 -0.825 1
1 507 . 16 1 1 A 66 66 ILE CB C 66 38.162 38.260 -0.098 1
1 511 . 16 1 1 A 66 66 ILE N N 66 125.090 124.137 0.953 1
1 512 . 16 1 1 A 67 67 PRO HA H 67 4.447 4.631 -0.184 1
1 519 . 16 1 1 A 67 67 PRO C C 67 177.325 177.806 -0.481 1
1 520 . 16 1 1 A 67 67 PRO CA C 67 62.883 62.602 0.281 1
1 521 . 16 1 1 A 67 67 PRO CB C 67 32.692 32.695 -0.003 1
1 524 . 16 1 1 A 68 68 GLN H H 68 8.982 8.600 0.382 1
1 525 . 16 1 1 A 68 68 GLN HA H 68 3.791 3.993 -0.202 1
1 532 . 16 1 1 A 68 68 GLN C C 68 177.316 178.182 -0.866 1
1 533 . 16 1 1 A 68 68 GLN CA C 68 59.491 58.455 1.036 1
1 534 . 16 1 1 A 68 68 GLN CB C 68 27.882 28.028 -0.146 1
1 536 . 16 1 1 A 68 68 GLN N N 68 124.876 122.532 2.344 1
1 538 . 16 1 1 A 69 69 ALA H H 69 8.892 8.411 0.481 1
1 539 . 16 1 1 A 69 69 ALA HA H 69 4.100 4.036 0.064 1
1 543 . 16 1 1 A 69 69 ALA C C 69 180.347 179.708 0.639 1
1 544 . 16 1 1 A 69 69 ALA CA C 69 55.209 55.051 0.158 1
1 545 . 16 1 1 A 69 69 ALA CB C 69 18.097 18.109 -0.012 1
1 546 . 16 1 1 A 69 69 ALA N N 69 118.268 122.810 -4.542 1
1 547 . 16 1 1 A 70 70 ARG H H 70 7.020 7.531 -0.511 1
1 548 . 16 1 1 A 70 70 ARG HA H 70 4.234 4.132 0.102 1
1 555 . 16 1 1 A 70 70 ARG C C 70 176.438 178.693 -2.255 1
1 556 . 16 1 1 A 70 70 ARG CA C 70 58.791 59.248 -0.457 1
1 557 . 16 1 1 A 70 70 ARG CB C 70 29.544 29.893 -0.349 1
1 560 . 16 1 1 A 70 70 ARG N N 70 119.170 117.608 1.562 1
1 561 . 16 1 1 A 71 71 ARG H H 71 7.754 7.701 0.053 1
1 562 . 16 1 1 A 71 71 ARG HA H 71 3.807 4.129 -0.322 1
1 569 . 16 1 1 A 71 71 ARG C C 71 179.191 178.598 0.593 1
1 570 . 16 1 1 A 71 71 ARG CA C 71 59.782 59.594 0.188 1
1 571 . 16 1 1 A 71 71 ARG CB C 71 30.564 29.792 0.772 1
1 574 . 16 1 1 A 71 71 ARG N N 71 116.460 118.954 -2.494 1
1 575 . 16 1 1 A 72 72 GLU H H 72 8.062 8.033 0.029 1
1 576 . 16 1 1 A 72 72 GLU HA H 72 4.014 4.094 -0.080 1
1 581 . 16 1 1 A 72 72 GLU C C 72 177.357 178.754 -1.397 1
1 582 . 16 1 1 A 72 72 GLU CA C 72 57.860 59.281 -1.421 1
1 583 . 16 1 1 A 72 72 GLU CB C 72 29.978 29.313 0.665 1
1 585 . 16 1 1 A 72 72 GLU N N 72 114.904 118.789 -3.885 1
1 586 . 16 1 1 A 73 73 ALA H H 73 7.686 7.323 0.363 1
1 587 . 16 1 1 A 73 73 ALA HA H 73 4.199 4.168 0.031 1
1 591 . 16 1 1 A 73 73 ALA C C 73 178.246 177.616 0.630 1
1 592 . 16 1 1 A 73 73 ALA CA C 73 54.110 54.600 -0.490 1
1 593 . 16 1 1 A 73 73 ALA CB C 73 19.546 19.430 0.116 1
1 594 . 16 1 1 A 73 73 ALA N N 73 120.673 121.080 -0.407 1
1 595 . 16 1 1 A 74 74 ILE H H 74 7.609 7.903 -0.294 1
1 596 . 16 1 1 A 74 74 ILE HA H 74 4.318 4.465 -0.147 1
1 606 . 16 1 1 A 74 74 ILE CA C 74 57.722 57.820 -0.098 1
1 607 . 16 1 1 A 74 74 ILE CB C 74 38.313 39.441 -1.128 1
1 611 . 16 1 1 A 74 74 ILE N N 74 117.475 118.161 -0.686 1
1 612 . 16 1 1 A 75 75 PRO HA H 75 4.267 4.374 -0.107 1
1 619 . 16 1 1 A 75 75 PRO C C 75 179.050 177.924 1.126 1
1 620 . 16 1 1 A 75 75 PRO CA C 75 63.966 63.347 0.619 1
1 621 . 16 1 1 A 75 75 PRO CB C 75 31.409 31.081 0.328 1
1 624 . 16 1 1 A 76 76 GLY H H 76 8.594 8.845 -0.251 1
1 625 . 16 1 1 A 76 76 GLY HA2 H 76 4.081 3.923 0.158 1
1 626 . 16 1 1 A 76 76 GLY HA3 H 76 3.402 3.925 -0.523 1
1 627 . 16 1 1 A 76 76 GLY C C 76 174.447 174.629 -0.182 1
1 628 . 16 1 1 A 76 76 GLY CA C 76 45.138 45.417 -0.279 1
1 629 . 16 1 1 A 76 76 GLY N N 76 113.042 112.909 0.133 1
1 630 . 16 1 1 A 77 77 VAL H H 77 8.185 7.609 0.576 1
1 631 . 16 1 1 A 77 77 VAL HA H 77 3.955 4.024 -0.069 1
1 639 . 16 1 1 A 77 77 VAL C C 77 173.122 175.831 -2.709 1
1 640 . 16 1 1 A 77 77 VAL CA C 77 63.160 62.407 0.753 1
1 641 . 16 1 1 A 77 77 VAL CB C 77 30.748 32.529 -1.781 1
1 644 . 16 1 1 A 77 77 VAL N N 77 124.214 120.574 3.640 1
1 645 . 16 1 1 A 78 78 ARG H H 78 8.635 8.866 -0.231 1
1 646 . 16 1 1 A 78 78 ARG HA H 78 4.547 4.600 -0.053 1
1 653 . 16 1 1 A 78 78 ARG C C 78 173.948 175.892 -1.944 1
1 654 . 16 1 1 A 78 78 ARG CA C 78 55.410 56.282 -0.872 1
1 655 . 16 1 1 A 78 78 ARG CB C 78 33.618 31.797 1.821 1
1 658 . 16 1 1 A 78 78 ARG N N 78 121.505 126.176 -4.671 1
1 659 . 16 1 1 A 79 79 LEU H H 79 7.037 7.701 -0.664 1
1 660 . 16 1 1 A 79 79 LEU HA H 79 6.078 4.769 1.309 1
1 670 . 16 1 1 A 79 79 LEU C C 79 178.615 176.353 2.262 1
1 671 . 16 1 1 A 79 79 LEU CA C 79 52.286 53.055 -0.769 1
1 672 . 16 1 1 A 79 79 LEU CB C 79 46.763 44.480 2.283 1
1 676 . 16 1 1 A 79 79 LEU N N 79 116.511 119.707 -3.196 1
1 677 . 16 1 1 A 80 80 CYS H H 80 9.639 8.372 1.267 1
1 678 . 16 1 1 A 80 80 CYS HA H 80 4.595 4.570 0.025 1
1 681 . 16 1 1 A 80 80 CYS C C 80 174.898 175.484 -0.586 1
1 682 . 16 1 1 A 80 80 CYS CA C 80 57.983 58.681 -0.698 1
1 683 . 16 1 1 A 80 80 CYS CB C 80 31.306 29.275 2.031 1
1 684 . 16 1 1 A 80 80 CYS N N 80 121.517 122.852 -1.335 1
1 685 . 16 1 1 A 81 81 ILE H H 81 9.215 8.583 0.632 1
1 686 . 16 1 1 A 81 81 ILE HA H 81 3.836 3.862 -0.026 1
1 696 . 16 1 1 A 81 81 ILE C C 81 176.081 177.410 -1.329 1
1 697 . 16 1 1 A 81 81 ILE CA C 81 63.715 64.295 -0.580 1
1 698 . 16 1 1 A 81 81 ILE CB C 81 38.309 37.836 0.473 1
1 702 . 16 1 1 A 81 81 ILE N N 81 119.426 123.148 -3.722 1
1 703 . 16 1 1 A 82 82 HIS H H 82 7.439 7.786 -0.347 1
1 704 . 16 1 1 A 82 82 HIS HA H 82 4.354 4.375 -0.021 1
1 709 . 16 1 1 A 82 82 HIS C C 82 178.603 178.499 0.104 1
1 710 . 16 1 1 A 82 82 HIS CA C 82 59.802 59.479 0.323 1
1 711 . 16 1 1 A 82 82 HIS CB C 82 30.164 29.794 0.370 1
1 714 . 16 1 1 A 82 82 HIS N N 82 122.605 119.310 3.295 1
1 715 . 16 1 1 A 83 83 CYS H H 83 8.960 8.149 0.811 1
1 716 . 16 1 1 A 83 83 CYS HA H 83 3.995 4.246 -0.251 1
1 719 . 16 1 1 A 83 83 CYS C C 83 178.676 177.203 1.473 1
1 720 . 16 1 1 A 83 83 CYS CA C 83 64.648 61.838 2.810 1
1 721 . 16 1 1 A 83 83 CYS CB C 83 29.618 26.473 3.145 1
1 722 . 16 1 1 A 83 83 CYS N N 83 124.742 117.796 6.946 1
1 723 . 16 1 1 A 84 84 GLN H H 84 8.525 7.870 0.655 1
1 724 . 16 1 1 A 84 84 GLN HA H 84 3.812 4.100 -0.288 1
1 731 . 16 1 1 A 84 84 GLN C C 84 177.478 177.994 -0.516 1
1 732 . 16 1 1 A 84 84 GLN CA C 84 58.750 58.871 -0.121 1
1 733 . 16 1 1 A 84 84 GLN CB C 84 28.372 28.859 -0.487 1
1 735 . 16 1 1 A 84 84 GLN N N 84 120.642 121.419 -0.777 1
1 737 . 16 1 1 A 85 85 GLN H H 85 8.100 8.322 -0.222 1
1 738 . 16 1 1 A 85 85 GLN HA H 85 4.117 3.985 0.132 1
1 745 . 16 1 1 A 85 85 GLN C C 85 178.483 177.955 0.528 1
1 746 . 16 1 1 A 85 85 GLN CA C 85 58.857 58.647 0.210 1
1 747 . 16 1 1 A 85 85 GLN CB C 85 28.261 28.229 0.032 1
1 749 . 16 1 1 A 85 85 GLN N N 85 118.154 117.240 0.914 1
1 751 . 16 1 1 A 86 86 GLU H H 86 7.657 7.854 -0.197 1
1 752 . 16 1 1 A 86 86 GLU HA H 86 4.049 4.063 -0.014 1
1 757 . 16 1 1 A 86 86 GLU C C 86 178.798 178.985 -0.187 1
1 758 . 16 1 1 A 86 86 GLU CA C 86 58.852 59.422 -0.570 1
1 759 . 16 1 1 A 86 86 GLU CB C 86 29.716 29.188 0.528 1
1 761 . 16 1 1 A 86 86 GLU N N 86 118.055 119.210 -1.155 1
1 762 . 16 1 1 A 87 87 LYS H H 87 7.799 7.711 0.088 1
1 763 . 16 1 1 A 87 87 LYS HA H 87 4.056 4.061 -0.005 1
1 772 . 16 1 1 A 87 87 LYS C C 87 179.025 179.182 -0.157 1
1 773 . 16 1 1 A 87 87 LYS CA C 87 58.452 59.461 -1.009 1
1 774 . 16 1 1 A 87 87 LYS CB C 87 32.067 32.067 0.000 1
1 778 . 16 1 1 A 87 87 LYS N N 87 119.741 119.656 0.085 1
1 779 . 16 1 1 A 88 88 ASP H H 88 8.300 8.202 0.098 1
1 780 . 16 1 1 A 88 88 ASP HA H 88 4.461 4.387 0.074 1
1 783 . 16 1 1 A 88 88 ASP C C 88 177.597 177.883 -0.286 1
1 784 . 16 1 1 A 88 88 ASP CA C 88 56.228 56.720 -0.492 1
1 785 . 16 1 1 A 88 88 ASP CB C 88 40.500 41.565 -1.065 1
1 786 . 16 1 1 A 88 88 ASP N N 88 119.700 119.874 -0.174 1
1 787 . 16 1 1 A 89 89 LEU H H 89 7.672 7.826 -0.154 1
1 788 . 16 1 1 A 89 89 LEU HA H 89 4.227 4.088 0.139 1
1 798 . 16 1 1 A 89 89 LEU C C 89 177.757 178.544 -0.787 1
1 799 . 16 1 1 A 89 89 LEU CA C 89 55.938 57.002 -1.064 1
1 800 . 16 1 1 A 89 89 LEU CB C 89 42.267 41.771 0.496 1
1 804 . 16 1 1 A 89 89 LEU N N 89 119.729 118.740 0.989 1
1 805 . 16 1 1 A 90 90 GLN H H 90 7.823 7.182 0.641 1
1 806 . 16 1 1 A 90 90 GLN HA H 90 4.264 4.329 -0.065 1
1 813 . 16 1 1 A 90 90 GLN C C 90 175.896 176.307 -0.411 1
1 814 . 16 1 1 A 90 90 GLN CA C 90 55.828 56.121 -0.293 1
1 815 . 16 1 1 A 90 90 GLN CB C 90 28.871 29.019 -0.148 1
1 817 . 16 1 1 A 90 90 GLN N N 90 118.133 115.981 2.152 1
1 819 . 16 1 1 A 91 91 LYS H H 91 8.016 7.295 0.721 1
1 820 . 16 1 1 A 91 91 LYS HA H 91 4.561 4.352 0.209 1
1 829 . 16 1 1 A 91 91 LYS CA C 91 54.567 55.072 -0.505 1
1 830 . 16 1 1 A 91 91 LYS CB C 91 32.373 32.514 -0.141 1
1 834 . 16 1 1 A 91 91 LYS N N 91 122.571 120.930 1.641 1
1 835 . 16 1 1 A 92 92 PRO HA H 92 4.372 4.314 0.058 1
1 842 . 16 1 1 A 92 92 PRO C C 92 176.665 176.780 -0.115 1
1 843 . 16 1 1 A 92 92 PRO CA C 92 63.251 63.779 -0.528 1
1 844 . 16 1 1 A 92 92 PRO CB C 92 32.073 31.442 0.631 1
1 847 . 16 1 1 A 93 93 ALA H H 93 8.364 7.865 0.499 1
1 848 . 16 1 1 A 93 93 ALA HA H 93 4.245 3.944 0.301 1
1 852 . 16 1 1 A 93 93 ALA C C 93 177.504 175.504 2.000 1
1 853 . 16 1 1 A 93 93 ALA CA C 93 52.458 53.555 -1.097 1
1 854 . 16 1 1 A 93 93 ALA CB C 93 19.247 17.924 1.323 1
1 855 . 16 1 1 A 93 93 ALA N N 93 123.718 120.000 3.718 1
1 856 . 16 1 1 A 94 94 TYR H H 94 8.153 7.359 0.794 1
1 857 . 16 1 1 A 94 94 TYR HA H 94 4.626 5.323 -0.697 1
1 864 . 16 1 1 A 94 94 TYR C C 94 176.141 174.666 1.475 1
1 865 . 16 1 1 A 94 94 TYR CA C 94 57.859 55.711 2.148 1
1 866 . 16 1 1 A 94 94 TYR CB C 94 38.793 41.558 -2.765 1
1 871 . 16 1 1 A 94 94 TYR N N 94 119.293 113.358 5.935 1
1 872 . 16 1 1 A 95 95 THR H H 95 8.119 8.837 -0.718 1
1 873 . 16 1 1 A 95 95 THR HA H 95 4.286 4.974 -0.688 1
1 878 . 16 1 1 A 95 95 THR C C 95 174.813 173.908 0.905 1
1 879 . 16 1 1 A 95 95 THR CA C 95 61.758 60.489 1.269 1
1 880 . 16 1 1 A 95 95 THR CB C 95 69.860 68.655 1.205 1
1 882 . 16 1 1 A 95 95 THR N N 95 115.890 114.152 1.738 1
1 883 . 16 1 1 A 96 96 GLY H H 96 7.669 9.059 -1.390 1
1 884 . 16 1 1 A 96 96 GLY HA2 H 96 3.875 4.196 -0.321 1
1 885 . 16 1 1 A 96 96 GLY HA3 H 96 3.822 4.293 -0.471 1
1 886 . 16 1 1 A 96 96 GLY C C 96 173.774 172.313 1.461 1
1 887 . 16 1 1 A 96 96 GLY CA C 96 45.320 45.174 0.146 1
1 888 . 16 1 1 A 96 96 GLY N N 96 110.133 112.338 -2.205 1
1 889 . 16 1 1 A 97 97 TYR H H 97 8.028 8.708 -0.680 1
1 890 . 16 1 1 A 97 97 TYR HA H 97 4.510 5.195 -0.685 1
1 897 . 16 1 1 A 97 97 TYR CA C 97 58.115 56.027 2.088 1
1 898 . 16 1 1 A 97 97 TYR CB C 97 38.769 41.277 -2.508 1
1 903 . 16 1 1 A 97 97 TYR N N 97 119.945 118.922 1.023 1
1 904 . 16 1 1 A 98 98 ASN HA H 98 4.641 4.648 -0.007 1
1 909 . 16 1 1 A 98 98 ASN C C 98 174.882 174.282 0.600 1
1 910 . 16 1 1 A 98 98 ASN CA C 98 53.067 52.180 0.887 1
1 911 . 16 1 1 A 98 98 ASN CB C 98 38.835 37.877 0.958 1
1 913 . 16 1 1 A 99 99 ARG H H 99 8.226 8.379 -0.153 1
1 914 . 16 1 1 A 99 99 ARG HA H 99 4.259 4.673 -0.414 1
1 921 . 16 1 1 A 99 99 ARG C C 99 176.406 175.186 1.220 1
1 922 . 16 1 1 A 99 99 ARG CA C 99 56.464 55.028 1.436 1
1 923 . 16 1 1 A 99 99 ARG CB C 99 30.588 30.139 0.449 1
1 926 . 16 1 1 A 99 99 ARG N N 99 121.620 127.791 -6.171 1
1 927 . 16 1 1 A 100 100 ARG H H 100 8.398 8.457 -0.059 1
1 928 . 16 1 1 A 100 100 ARG N N 100 121.935 126.220 -4.285 1
1 929 . 16 1 1 A 101 101 GLY HA2 H 101 3.835 4.028 -0.193 1
1 930 . 16 1 1 A 101 101 GLY HA3 H 101 3.835 4.033 -0.198 1
1 931 . 16 1 1 A 101 101 GLY CA C 101 43.935 45.763 -1.828 1
1 932 . 16 1 1 A 102 102 SER HA H 102 4.460 4.520 -0.060 1
1 935 . 16 1 1 A 102 102 SER CA C 102 58.458 57.250 1.208 1
1 936 . 16 1 1 A 102 102 SER CB C 102 64.128 61.012 3.116 1
1 937 . 16 1 1 A 103 103 LYS H H 103 8.524 8.342 0.182 1
1 938 . 16 1 1 A 103 103 LYS HA H 103 4.305 4.009 0.296 1
1 947 . 16 1 1 A 103 103 LYS CA C 103 56.788 57.361 -0.573 1
1 948 . 16 1 1 A 103 103 LYS CB C 103 32.766 31.377 1.389 1
1 952 . 16 1 1 A 103 103 LYS N N 103 123.092 120.856 2.236 1
1 953 . 16 1 1 A 104 104 ASP H H 104 8.316 8.185 0.131 1
1 954 . 16 1 1 A 104 104 ASP HA H 104 4.612 4.848 -0.236 1
1 957 . 16 1 1 A 104 104 ASP C C 104 176.493 175.798 0.695 1
1 958 . 16 1 1 A 104 104 ASP CA C 104 54.704 53.094 1.610 1
1 959 . 16 1 1 A 104 104 ASP CB C 104 41.277 38.954 2.323 1
1 960 . 16 1 1 A 104 104 ASP N N 104 120.807 120.085 0.722 1
1 961 . 16 1 1 A 105 105 SER H H 105 8.215 8.737 -0.522 1
1 962 . 16 1 1 A 105 105 SER HA H 105 4.390 4.743 -0.353 1
1 965 . 16 1 1 A 105 105 SER C C 105 174.659 174.034 0.625 1
1 966 . 16 1 1 A 105 105 SER CA C 105 58.889 57.168 1.721 1
1 967 . 16 1 1 A 105 105 SER CB C 105 63.781 63.766 0.015 1
1 968 . 16 1 1 A 105 105 SER N N 105 116.100 121.103 -5.003 1
1 969 . 16 1 1 A 106 106 GLN H H 106 8.396 7.456 0.940 1
1 970 . 16 1 1 A 106 106 GLN HA H 106 4.344 4.400 -0.056 1
1 977 . 16 1 1 A 106 106 GLN C C 106 175.746 176.352 -0.606 1
1 978 . 16 1 1 A 106 106 GLN CA C 106 55.981 55.940 0.041 1
1 979 . 16 1 1 A 106 106 GLN CB C 106 29.351 29.400 -0.049 1
1 981 . 16 1 1 A 106 106 GLN N N 106 121.640 121.500 0.140 1
1 983 . 16 1 1 A 107 107 LEU H H 107 8.172 8.496 -0.324 1
1 984 . 16 1 1 A 107 107 LEU HA H 107 4.348 4.525 -0.177 1
1 994 . 16 1 1 A 107 107 LEU C C 107 176.328 177.271 -0.943 1
1 995 . 16 1 1 A 107 107 LEU CA C 107 55.385 54.900 0.485 1
1 996 . 16 1 1 A 107 107 LEU CB C 107 42.163 42.167 -0.004 1
1 1000 . 16 1 1 A 107 107 LEU N N 107 123.200 120.808 2.392 1
1 12 . 17 1 1 A 22 22 ALA H H 22 8.289 8.654 -0.365 1
1 13 . 17 1 1 A 22 22 ALA HA H 22 4.277 4.825 -0.548 1
1 17 . 17 1 1 A 22 22 ALA C C 22 177.730 176.282 1.448 1
1 18 . 17 1 1 A 22 22 ALA CA C 22 52.742 51.125 1.617 1
1 19 . 17 1 1 A 22 22 ALA CB C 22 19.263 20.023 -0.760 1
1 20 . 17 1 1 A 22 22 ALA N N 22 125.042 122.645 2.397 1
1 21 . 17 1 1 A 23 23 SER H H 23 8.253 8.982 -0.729 1
1 22 . 17 1 1 A 23 23 SER HA H 23 4.374 5.088 -0.714 1
1 25 . 17 1 1 A 23 23 SER C C 23 175.066 174.125 0.941 1
1 26 . 17 1 1 A 23 23 SER CA C 23 58.670 57.214 1.456 1
1 27 . 17 1 1 A 23 23 SER CB C 23 63.822 66.598 -2.776 1
1 28 . 17 1 1 A 23 23 SER N N 23 114.713 118.455 -3.742 1
1 29 . 17 1 1 A 24 24 GLY H H 24 8.368 8.848 -0.480 1
1 30 . 17 1 1 A 24 24 GLY HA2 H 24 3.945 4.030 -0.085 1
1 31 . 17 1 1 A 24 24 GLY HA3 H 24 3.886 4.075 -0.189 1
1 32 . 17 1 1 A 24 24 GLY C C 24 173.906 175.227 -1.321 1
1 33 . 17 1 1 A 24 24 GLY CA C 24 45.410 45.350 0.060 1
1 34 . 17 1 1 A 24 24 GLY N N 24 110.595 114.625 -4.030 1
1 35 . 17 1 1 A 25 25 TRP H H 25 7.961 8.593 -0.632 1
1 36 . 17 1 1 A 25 25 TRP HA H 25 4.632 4.390 0.242 1
1 45 . 17 1 1 A 25 25 TRP C C 25 175.880 176.859 -0.979 1
1 46 . 17 1 1 A 25 25 TRP CA C 25 57.289 60.004 -2.715 1
1 47 . 17 1 1 A 25 25 TRP CB C 25 29.725 28.002 1.723 1
1 53 . 17 1 1 A 25 25 TRP N N 25 120.881 120.923 -0.042 1
1 55 . 17 1 1 A 26 26 ALA H H 26 8.129 7.054 1.075 1
1 56 . 17 1 1 A 26 26 ALA HA H 26 4.222 4.192 0.030 1
1 60 . 17 1 1 A 26 26 ALA C C 26 176.977 177.437 -0.460 1
1 61 . 17 1 1 A 26 26 ALA CA C 26 52.345 52.347 -0.002 1
1 62 . 17 1 1 A 26 26 ALA CB C 26 19.414 19.186 0.228 1
1 63 . 17 1 1 A 26 26 ALA N N 26 125.541 119.424 6.117 1
1 64 . 17 1 1 A 27 27 ASN H H 27 8.139 6.927 1.212 1
1 65 . 17 1 1 A 27 27 ASN HA H 27 4.581 4.042 0.539 1
1 70 . 17 1 1 A 27 27 ASN C C 27 175.044 173.854 1.190 1
1 71 . 17 1 1 A 27 27 ASN CA C 27 53.260 54.032 -0.772 1
1 72 . 17 1 1 A 27 27 ASN CB C 27 39.022 36.831 2.191 1
1 73 . 17 1 1 A 27 27 ASN N N 27 117.794 111.910 5.884 1
1 75 . 17 1 1 A 28 28 ASP H H 28 8.286 7.835 0.451 1
1 76 . 17 1 1 A 28 28 ASP HA H 28 4.581 4.559 0.022 1
1 79 . 17 1 1 A 28 28 ASP C C 28 176.163 176.995 -0.832 1
1 80 . 17 1 1 A 28 28 ASP CA C 28 54.629 53.826 0.803 1
1 81 . 17 1 1 A 28 28 ASP CB C 28 41.129 41.800 -0.671 1
1 82 . 17 1 1 A 28 28 ASP N N 28 120.788 118.224 2.564 1
1 83 . 17 1 1 A 29 29 ASP H H 29 8.287 9.089 -0.802 1
1 84 . 17 1 1 A 29 29 ASP HA H 29 4.546 4.476 0.070 1
1 87 . 17 1 1 A 29 29 ASP C C 29 176.359 177.871 -1.512 1
1 88 . 17 1 1 A 29 29 ASP CA C 29 54.883 56.761 -1.878 1
1 89 . 17 1 1 A 29 29 ASP CB C 29 41.050 39.771 1.279 1
1 90 . 17 1 1 A 29 29 ASP N N 29 120.641 122.019 -1.378 1
1 91 . 17 1 1 A 30 30 ALA H H 30 8.141 7.848 0.293 1
1 92 . 17 1 1 A 30 30 ALA HA H 30 4.278 4.075 0.203 1
1 96 . 17 1 1 A 30 30 ALA C C 30 178.218 178.886 -0.668 1
1 97 . 17 1 1 A 30 30 ALA CA C 30 53.006 54.369 -1.363 1
1 98 . 17 1 1 A 30 30 ALA CB C 30 19.115 18.109 1.006 1
1 99 . 17 1 1 A 30 30 ALA N N 30 123.561 121.280 2.281 1
1 100 . 17 1 1 A 31 31 VAL H H 31 7.996 7.455 0.541 1
1 101 . 17 1 1 A 31 31 VAL HA H 31 4.010 3.801 0.209 1
1 109 . 17 1 1 A 31 31 VAL C C 31 175.417 178.057 -2.640 1
1 110 . 17 1 1 A 31 31 VAL CA C 31 62.896 65.428 -2.532 1
1 111 . 17 1 1 A 31 31 VAL CB C 31 32.567 31.695 0.872 1
1 114 . 17 1 1 A 31 31 VAL N N 31 118.676 116.933 1.743 1
1 115 . 17 1 1 A 32 32 ASN H H 32 8.364 8.529 -0.165 1
1 116 . 17 1 1 A 32 32 ASN HA H 32 4.694 4.598 0.096 1
1 121 . 17 1 1 A 32 32 ASN C C 32 174.659 177.045 -2.386 1
1 122 . 17 1 1 A 32 32 ASN CA C 32 53.547 54.204 -0.657 1
1 123 . 17 1 1 A 32 32 ASN CB C 32 38.939 37.084 1.855 1
1 124 . 17 1 1 A 32 32 ASN N N 32 121.518 117.390 4.128 1
1 126 . 17 1 1 A 33 33 GLU H H 33 8.380 8.112 0.268 1
1 127 . 17 1 1 A 33 33 GLU HA H 33 4.240 4.058 0.182 1
1 132 . 17 1 1 A 33 33 GLU C C 33 176.641 179.476 -2.835 1
1 133 . 17 1 1 A 33 33 GLU CA C 33 57.074 59.404 -2.330 1
1 134 . 17 1 1 A 33 33 GLU CB C 33 30.212 29.245 0.967 1
1 136 . 17 1 1 A 33 33 GLU N N 33 121.497 119.940 1.557 1
1 137 . 17 1 1 A 34 34 GLN H H 34 8.333 7.667 0.666 1
1 138 . 17 1 1 A 34 34 GLN HA H 34 4.315 4.289 0.026 1
1 145 . 17 1 1 A 34 34 GLN C C 34 176.325 178.006 -1.681 1
1 146 . 17 1 1 A 34 34 GLN CA C 34 56.232 58.652 -2.420 1
1 147 . 17 1 1 A 34 34 GLN CB C 34 29.304 28.372 0.932 1
1 149 . 17 1 1 A 34 34 GLN N N 34 120.891 118.825 2.066 1
1 151 . 17 1 1 A 35 35 ILE H H 35 8.155 7.877 0.278 1
1 152 . 17 1 1 A 35 35 ILE HA H 35 4.116 3.965 0.151 1
1 162 . 17 1 1 A 35 35 ILE C C 35 176.203 176.854 -0.651 1
1 163 . 17 1 1 A 35 35 ILE CA C 35 61.645 63.289 -1.644 1
1 164 . 17 1 1 A 35 35 ILE CB C 35 38.640 37.576 1.064 1
1 168 . 17 1 1 A 35 35 ILE N N 35 121.784 119.935 1.849 1
1 169 . 17 1 1 A 36 36 ASN H H 36 8.504 7.742 0.762 1
1 170 . 17 1 1 A 36 36 ASN HA H 36 4.760 4.738 0.022 1
1 175 . 17 1 1 A 36 36 ASN C C 36 175.468 176.194 -0.726 1
1 176 . 17 1 1 A 36 36 ASN CA C 36 53.504 52.586 0.918 1
1 177 . 17 1 1 A 36 36 ASN CB C 36 38.947 38.332 0.615 1
1 178 . 17 1 1 A 36 36 ASN N N 36 122.204 119.949 2.255 1
1 180 . 17 1 1 A 37 37 SER H H 37 8.380 8.073 0.307 1
1 181 . 17 1 1 A 37 37 SER HA H 37 4.505 4.394 0.111 1
1 184 . 17 1 1 A 37 37 SER C C 37 174.990 176.065 -1.075 1
1 185 . 17 1 1 A 37 37 SER CA C 37 58.963 60.335 -1.372 1
1 186 . 17 1 1 A 37 37 SER CB C 37 63.760 62.888 0.872 1
1 187 . 17 1 1 A 37 37 SER N N 37 116.788 115.061 1.727 1
1 188 . 17 1 1 A 38 38 THR H H 38 8.302 7.932 0.370 1
1 189 . 17 1 1 A 38 38 THR HA H 38 4.369 3.954 0.415 1
1 194 . 17 1 1 A 38 38 THR C C 38 175.437 176.859 -1.422 1
1 195 . 17 1 1 A 38 38 THR CA C 38 62.751 66.932 -4.181 1
1 196 . 17 1 1 A 38 38 THR CB C 38 69.838 67.846 1.992 1
1 198 . 17 1 1 A 38 38 THR N N 38 116.285 116.648 -0.363 1
1 199 . 17 1 1 A 39 39 ILE H H 39 8.153 7.718 0.435 1
1 200 . 17 1 1 A 39 39 ILE HA H 39 4.080 3.543 0.537 1
1 210 . 17 1 1 A 39 39 ILE C C 39 176.850 178.204 -1.354 1
1 211 . 17 1 1 A 39 39 ILE CA C 39 62.295 65.706 -3.411 1
1 212 . 17 1 1 A 39 39 ILE CB C 39 38.373 37.874 0.499 1
1 216 . 17 1 1 A 39 39 ILE N N 39 123.148 121.564 1.584 1
1 217 . 17 1 1 A 40 40 GLU H H 40 8.438 8.499 -0.061 1
1 218 . 17 1 1 A 40 40 GLU HA H 40 4.146 4.118 0.028 1
1 223 . 17 1 1 A 40 40 GLU C C 40 177.573 178.783 -1.210 1
1 224 . 17 1 1 A 40 40 GLU CA C 40 58.026 58.564 -0.538 1
1 225 . 17 1 1 A 40 40 GLU CB C 40 29.870 28.676 1.194 1
1 227 . 17 1 1 A 40 40 GLU N N 40 123.184 120.209 2.975 1
1 228 . 17 1 1 A 41 41 ASP H H 41 8.295 8.114 0.181 1
1 229 . 17 1 1 A 41 41 ASP HA H 41 4.512 4.396 0.116 1
1 232 . 17 1 1 A 41 41 ASP C C 41 176.856 178.009 -1.153 1
1 233 . 17 1 1 A 41 41 ASP CA C 41 55.563 57.549 -1.986 1
1 234 . 17 1 1 A 41 41 ASP CB C 41 41.080 40.993 0.087 1
1 235 . 17 1 1 A 41 41 ASP N N 41 121.311 121.407 -0.096 1
1 236 . 17 1 1 A 42 42 ALA H H 42 8.098 7.934 0.164 1
1 237 . 17 1 1 A 42 42 ALA HA H 42 4.153 4.089 0.064 1
1 241 . 17 1 1 A 42 42 ALA C C 42 179.658 180.434 -0.776 1
1 242 . 17 1 1 A 42 42 ALA CA C 42 54.315 55.224 -0.909 1
1 243 . 17 1 1 A 42 42 ALA CB C 42 18.765 17.854 0.911 1
1 244 . 17 1 1 A 42 42 ALA N N 42 123.411 121.469 1.942 1
1 245 . 17 1 1 A 43 43 ILE H H 43 8.047 7.772 0.275 1
1 246 . 17 1 1 A 43 43 ILE HA H 43 3.904 3.707 0.197 1
1 256 . 17 1 1 A 43 43 ILE C C 43 176.603 178.116 -1.513 1
1 257 . 17 1 1 A 43 43 ILE CA C 43 63.028 65.088 -2.060 1
1 258 . 17 1 1 A 43 43 ILE CB C 43 38.140 37.716 0.424 1
1 262 . 17 1 1 A 43 43 ILE N N 43 119.853 118.513 1.340 1
1 263 . 17 1 1 A 44 44 ALA H H 44 8.072 8.031 0.041 1
1 264 . 17 1 1 A 44 44 ALA HA H 44 4.162 4.063 0.099 1
1 268 . 17 1 1 A 44 44 ALA C C 44 179.414 179.371 0.043 1
1 269 . 17 1 1 A 44 44 ALA CA C 44 54.011 54.933 -0.922 1
1 270 . 17 1 1 A 44 44 ALA CB C 44 18.614 18.105 0.509 1
1 271 . 17 1 1 A 44 44 ALA N N 44 124.814 121.588 3.226 1
1 272 . 17 1 1 A 45 45 ARG H H 45 8.177 7.895 0.282 1
1 273 . 17 1 1 A 45 45 ARG HA H 45 4.187 4.210 -0.023 1
1 280 . 17 1 1 A 45 45 ARG C C 45 177.629 178.818 -1.189 1
1 281 . 17 1 1 A 45 45 ARG CA C 45 57.569 57.581 -0.012 1
1 282 . 17 1 1 A 45 45 ARG CB C 45 30.600 30.372 0.228 1
1 285 . 17 1 1 A 45 45 ARG N N 45 118.718 116.633 2.085 1
1 286 . 17 1 1 A 46 46 ALA H H 46 8.004 7.400 0.604 1
1 287 . 17 1 1 A 46 46 ALA HA H 46 4.274 4.153 0.121 1
1 291 . 17 1 1 A 46 46 ALA C C 46 178.519 178.160 0.359 1
1 292 . 17 1 1 A 46 46 ALA CA C 46 53.339 54.880 -1.541 1
1 293 . 17 1 1 A 46 46 ALA CB C 46 18.827 18.966 -0.139 1
1 294 . 17 1 1 A 46 46 ALA N N 46 123.416 122.444 0.972 1
1 295 . 17 1 1 A 47 47 ARG H H 47 8.082 7.217 0.865 1
1 296 . 17 1 1 A 47 47 ARG HA H 47 4.285 4.501 -0.216 1
1 303 . 17 1 1 A 47 47 ARG C C 47 177.103 176.442 0.661 1
1 304 . 17 1 1 A 47 47 ARG CA C 47 56.871 55.189 1.682 1
1 305 . 17 1 1 A 47 47 ARG CB C 47 30.655 31.697 -1.042 1
1 308 . 17 1 1 A 47 47 ARG N N 47 118.672 114.024 4.648 1
1 309 . 17 1 1 A 48 48 GLY H H 48 8.160 8.018 0.142 1
1 310 . 17 1 1 A 48 48 GLY HA2 H 48 3.976 3.915 0.061 1
1 311 . 17 1 1 A 48 48 GLY HA3 H 48 3.976 3.915 0.061 1
1 312 . 17 1 1 A 48 48 GLY C C 48 174.015 174.781 -0.766 1
1 313 . 17 1 1 A 48 48 GLY CA C 48 45.337 46.676 -1.339 1
1 314 . 17 1 1 A 48 48 GLY N N 48 108.533 109.527 -0.994 1
1 315 . 17 1 1 A 49 49 GLU H H 49 8.113 8.082 0.031 1
1 316 . 17 1 1 A 49 49 GLU HA H 49 4.317 4.234 0.083 1
1 321 . 17 1 1 A 49 49 GLU C C 49 176.216 176.826 -0.610 1
1 322 . 17 1 1 A 49 49 GLU CA C 49 56.125 58.443 -2.318 1
1 323 . 17 1 1 A 49 49 GLU CB C 49 30.497 30.558 -0.061 1
1 325 . 17 1 1 A 49 49 GLU N N 49 120.272 120.383 -0.111 1
1 326 . 17 1 1 A 50 50 ILE H H 50 8.203 7.834 0.369 1
1 327 . 17 1 1 A 50 50 ILE HA H 50 4.419 4.220 0.199 1
1 337 . 17 1 1 A 50 50 ILE CA C 50 58.687 60.647 -1.960 1
1 338 . 17 1 1 A 50 50 ILE CB C 50 38.623 38.216 0.407 1
1 342 . 17 1 1 A 50 50 ILE N N 50 123.785 120.450 3.335 1
1 343 . 17 1 1 A 51 51 PRO HA H 51 4.414 4.653 -0.239 1
1 350 . 17 1 1 A 51 51 PRO C C 51 176.785 176.748 0.037 1
1 351 . 17 1 1 A 51 51 PRO CA C 51 63.188 62.329 0.859 1
1 352 . 17 1 1 A 51 51 PRO CB C 51 32.210 33.325 -1.115 1
1 355 . 17 1 1 A 52 52 ARG H H 52 8.545 8.512 0.033 1
1 356 . 17 1 1 A 52 52 ARG HA H 52 4.300 4.418 -0.118 1
1 363 . 17 1 1 A 52 52 ARG C C 52 176.985 176.177 0.808 1
1 364 . 17 1 1 A 52 52 ARG CA C 52 56.493 55.786 0.707 1
1 365 . 17 1 1 A 52 52 ARG CB C 52 30.944 29.655 1.289 1
1 368 . 17 1 1 A 52 52 ARG N N 52 122.009 120.375 1.634 1
1 369 . 17 1 1 A 53 53 GLY H H 53 8.504 8.212 0.292 1
1 370 . 17 1 1 A 53 53 GLY HA2 H 53 3.995 3.933 0.062 1
1 371 . 17 1 1 A 53 53 GLY HA3 H 53 3.934 3.933 0.001 1
1 372 . 17 1 1 A 53 53 GLY C C 53 173.562 173.574 -0.012 1
1 373 . 17 1 1 A 53 53 GLY CA C 53 44.990 46.168 -1.178 1
1 374 . 17 1 1 A 53 53 GLY N N 53 110.270 108.594 1.676 1
1 375 . 17 1 1 A 54 54 GLU H H 54 8.216 7.655 0.561 1
1 376 . 17 1 1 A 54 54 GLU HA H 54 4.364 4.673 -0.309 1
1 381 . 17 1 1 A 54 54 GLU C C 54 177.145 175.195 1.950 1
1 382 . 17 1 1 A 54 54 GLU CA C 54 55.883 55.371 0.512 1
1 383 . 17 1 1 A 54 54 GLU CB C 54 30.696 30.334 0.362 1
1 385 . 17 1 1 A 54 54 GLU N N 54 119.939 116.189 3.750 1
1 386 . 17 1 1 A 55 55 SER H H 55 8.916 8.662 0.254 1
1 387 . 17 1 1 A 55 55 SER HA H 55 4.544 4.362 0.182 1
1 390 . 17 1 1 A 55 55 SER C C 55 174.434 175.004 -0.570 1
1 391 . 17 1 1 A 55 55 SER CA C 55 58.592 58.236 0.356 1
1 392 . 17 1 1 A 55 55 SER CB C 55 63.662 64.840 -1.178 1
1 393 . 17 1 1 A 55 55 SER N N 55 118.742 114.845 3.897 1
1 394 . 17 1 1 A 56 56 LEU H H 56 8.598 8.243 0.355 1
1 395 . 17 1 1 A 56 56 LEU HA H 56 4.343 4.918 -0.575 1
1 405 . 17 1 1 A 56 56 LEU C C 56 176.024 176.204 -0.180 1
1 406 . 17 1 1 A 56 56 LEU CA C 56 54.782 52.696 2.086 1
1 407 . 17 1 1 A 56 56 LEU CB C 56 42.106 44.937 -2.831 1
1 411 . 17 1 1 A 56 56 LEU N N 56 125.386 119.738 5.648 1
1 412 . 17 1 1 A 57 57 ASP H H 57 8.211 8.534 -0.323 1
1 413 . 17 1 1 A 57 57 ASP HA H 57 4.545 4.938 -0.393 1
1 416 . 17 1 1 A 57 57 ASP C C 57 176.869 175.670 1.199 1
1 417 . 17 1 1 A 57 57 ASP CA C 57 54.978 53.447 1.531 1
1 418 . 17 1 1 A 57 57 ASP CB C 57 41.477 41.634 -0.157 1
1 419 . 17 1 1 A 57 57 ASP N N 57 115.979 117.730 -1.751 1
1 420 . 17 1 1 A 58 58 GLU H H 58 7.469 7.745 -0.276 1
1 421 . 17 1 1 A 58 58 GLU HA H 58 4.717 4.689 0.028 1
1 426 . 17 1 1 A 58 58 GLU C C 58 174.081 175.227 -1.146 1
1 427 . 17 1 1 A 58 58 GLU CA C 58 54.280 54.894 -0.614 1
1 428 . 17 1 1 A 58 58 GLU CB C 58 32.995 31.814 1.181 1
1 430 . 17 1 1 A 58 58 GLU N N 58 118.912 118.737 0.175 1
1 431 . 17 1 1 A 59 59 CYS H H 59 9.364 8.698 0.666 1
1 432 . 17 1 1 A 59 59 CYS HA H 59 4.248 4.273 -0.025 1
1 435 . 17 1 1 A 59 59 CYS C C 59 178.266 176.307 1.959 1
1 436 . 17 1 1 A 59 59 CYS CA C 59 59.782 60.279 -0.497 1
1 437 . 17 1 1 A 59 59 CYS CB C 59 31.041 29.016 2.025 1
1 438 . 17 1 1 A 59 59 CYS N N 59 124.760 125.512 -0.752 1
1 439 . 17 1 1 A 60 60 GLU H H 60 9.202 8.939 0.263 1
1 440 . 17 1 1 A 60 60 GLU HA H 60 4.202 4.064 0.138 1
1 445 . 17 1 1 A 60 60 GLU C C 60 175.834 178.560 -2.726 1
1 446 . 17 1 1 A 60 60 GLU CA C 60 58.503 58.573 -0.070 1
1 447 . 17 1 1 A 60 60 GLU CB C 60 30.041 28.950 1.091 1
1 449 . 17 1 1 A 60 60 GLU N N 60 130.690 127.449 3.241 1
1 450 . 17 1 1 A 61 61 GLU H H 61 8.751 7.671 1.080 1
1 451 . 17 1 1 A 61 61 GLU HA H 61 4.542 4.218 0.324 1
1 456 . 17 1 1 A 61 61 GLU C C 61 177.312 178.341 -1.029 1
1 457 . 17 1 1 A 61 61 GLU CA C 61 58.094 58.547 -0.453 1
1 458 . 17 1 1 A 61 61 GLU CB C 61 31.037 30.455 0.582 1
1 460 . 17 1 1 A 61 61 GLU N N 61 120.904 118.752 2.152 1
1 461 . 17 1 1 A 62 62 CYS H H 62 8.401 7.425 0.976 1
1 462 . 17 1 1 A 62 62 CYS HA H 62 5.014 4.620 0.394 1
1 465 . 17 1 1 A 62 62 CYS C C 62 177.324 175.658 1.666 1
1 466 . 17 1 1 A 62 62 CYS CA C 62 59.127 58.411 0.716 1
1 467 . 17 1 1 A 62 62 CYS CB C 62 33.355 29.010 4.345 1
1 468 . 17 1 1 A 62 62 CYS N N 62 117.947 113.593 4.354 1
1 469 . 17 1 1 A 63 63 GLY H H 63 8.048 8.070 -0.022 1
1 470 . 17 1 1 A 63 63 GLY HA2 H 63 4.234 3.960 0.274 1
1 471 . 17 1 1 A 63 63 GLY HA3 H 63 3.820 3.962 -0.142 1
1 472 . 17 1 1 A 63 63 GLY C C 63 172.914 174.754 -1.840 1
1 473 . 17 1 1 A 63 63 GLY CA C 63 46.163 46.445 -0.282 1
1 474 . 17 1 1 A 63 63 GLY N N 63 113.407 111.101 2.306 1
1 475 . 17 1 1 A 64 64 ALA H H 64 9.148 8.065 1.083 1
1 476 . 17 1 1 A 64 64 ALA HA H 64 4.536 4.423 0.113 1
1 480 . 17 1 1 A 64 64 ALA CA C 64 51.510 50.705 0.805 1
1 481 . 17 1 1 A 64 64 ALA CB C 64 19.099 19.413 -0.314 1
1 482 . 17 1 1 A 64 64 ALA N N 64 127.297 123.585 3.712 1
1 483 . 17 1 1 A 65 65 PRO HA H 65 4.583 4.537 0.046 1
1 490 . 17 1 1 A 65 65 PRO C C 65 177.423 176.883 0.540 1
1 491 . 17 1 1 A 65 65 PRO CA C 65 63.020 63.002 0.018 1
1 492 . 17 1 1 A 65 65 PRO CB C 65 31.832 31.631 0.201 1
1 495 . 17 1 1 A 66 66 ILE H H 66 8.053 8.200 -0.147 1
1 496 . 17 1 1 A 66 66 ILE HA H 66 4.330 4.246 0.084 1
1 506 . 17 1 1 A 66 66 ILE CA C 66 58.847 60.171 -1.324 1
1 507 . 17 1 1 A 66 66 ILE CB C 66 38.162 38.316 -0.154 1
1 511 . 17 1 1 A 66 66 ILE N N 66 125.090 124.035 1.055 1
1 512 . 17 1 1 A 67 67 PRO HA H 67 4.447 4.717 -0.270 1
1 519 . 17 1 1 A 67 67 PRO C C 67 177.325 177.755 -0.430 1
1 520 . 17 1 1 A 67 67 PRO CA C 67 62.883 62.448 0.435 1
1 521 . 17 1 1 A 67 67 PRO CB C 67 32.692 32.552 0.140 1
1 524 . 17 1 1 A 68 68 GLN H H 68 8.982 8.614 0.368 1
1 525 . 17 1 1 A 68 68 GLN HA H 68 3.791 3.966 -0.175 1
1 532 . 17 1 1 A 68 68 GLN C C 68 177.316 178.219 -0.903 1
1 533 . 17 1 1 A 68 68 GLN CA C 68 59.491 58.244 1.247 1
1 534 . 17 1 1 A 68 68 GLN CB C 68 27.882 28.110 -0.228 1
1 536 . 17 1 1 A 68 68 GLN N N 68 124.876 122.552 2.324 1
1 538 . 17 1 1 A 69 69 ALA H H 69 8.892 8.398 0.494 1
1 539 . 17 1 1 A 69 69 ALA HA H 69 4.100 4.040 0.060 1
1 543 . 17 1 1 A 69 69 ALA C C 69 180.347 179.683 0.664 1
1 544 . 17 1 1 A 69 69 ALA CA C 69 55.209 55.064 0.145 1
1 545 . 17 1 1 A 69 69 ALA CB C 69 18.097 18.186 -0.089 1
1 546 . 17 1 1 A 69 69 ALA N N 69 118.268 123.780 -5.512 1
1 547 . 17 1 1 A 70 70 ARG H H 70 7.020 7.740 -0.720 1
1 548 . 17 1 1 A 70 70 ARG HA H 70 4.234 4.067 0.167 1
1 555 . 17 1 1 A 70 70 ARG C C 70 176.438 178.652 -2.214 1
1 556 . 17 1 1 A 70 70 ARG CA C 70 58.791 59.167 -0.376 1
1 557 . 17 1 1 A 70 70 ARG CB C 70 29.544 29.759 -0.215 1
1 560 . 17 1 1 A 70 70 ARG N N 70 119.170 117.440 1.730 1
1 561 . 17 1 1 A 71 71 ARG H H 71 7.754 7.340 0.414 1
1 562 . 17 1 1 A 71 71 ARG HA H 71 3.807 4.175 -0.368 1
1 569 . 17 1 1 A 71 71 ARG C C 71 179.191 178.509 0.682 1
1 570 . 17 1 1 A 71 71 ARG CA C 71 59.782 59.163 0.619 1
1 571 . 17 1 1 A 71 71 ARG CB C 71 30.564 29.883 0.681 1
1 574 . 17 1 1 A 71 71 ARG N N 71 116.460 118.854 -2.394 1
1 575 . 17 1 1 A 72 72 GLU H H 72 8.062 8.002 0.060 1
1 576 . 17 1 1 A 72 72 GLU HA H 72 4.014 4.097 -0.083 1
1 581 . 17 1 1 A 72 72 GLU C C 72 177.357 179.037 -1.680 1
1 582 . 17 1 1 A 72 72 GLU CA C 72 57.860 59.284 -1.424 1
1 583 . 17 1 1 A 72 72 GLU CB C 72 29.978 29.321 0.657 1
1 585 . 17 1 1 A 72 72 GLU N N 72 114.904 118.898 -3.994 1
1 586 . 17 1 1 A 73 73 ALA H H 73 7.686 7.544 0.142 1
1 587 . 17 1 1 A 73 73 ALA HA H 73 4.199 4.139 0.060 1
1 591 . 17 1 1 A 73 73 ALA C C 73 178.246 177.628 0.618 1
1 592 . 17 1 1 A 73 73 ALA CA C 73 54.110 54.867 -0.757 1
1 593 . 17 1 1 A 73 73 ALA CB C 73 19.546 19.071 0.475 1
1 594 . 17 1 1 A 73 73 ALA N N 73 120.673 121.014 -0.341 1
1 595 . 17 1 1 A 74 74 ILE H H 74 7.609 7.960 -0.351 1
1 596 . 17 1 1 A 74 74 ILE HA H 74 4.318 4.485 -0.167 1
1 606 . 17 1 1 A 74 74 ILE CA C 74 57.722 57.956 -0.234 1
1 607 . 17 1 1 A 74 74 ILE CB C 74 38.313 39.273 -0.960 1
1 611 . 17 1 1 A 74 74 ILE N N 74 117.475 118.161 -0.686 1
1 612 . 17 1 1 A 75 75 PRO HA H 75 4.267 4.444 -0.177 1
1 619 . 17 1 1 A 75 75 PRO C C 75 179.050 177.602 1.448 1
1 620 . 17 1 1 A 75 75 PRO CA C 75 63.966 63.188 0.778 1
1 621 . 17 1 1 A 75 75 PRO CB C 75 31.409 30.286 1.123 1
1 624 . 17 1 1 A 76 76 GLY H H 76 8.594 8.613 -0.019 1
1 625 . 17 1 1 A 76 76 GLY HA2 H 76 4.081 4.035 0.046 1
1 626 . 17 1 1 A 76 76 GLY HA3 H 76 3.402 4.037 -0.635 1
1 627 . 17 1 1 A 76 76 GLY C C 76 174.447 174.609 -0.162 1
1 628 . 17 1 1 A 76 76 GLY CA C 76 45.138 45.194 -0.056 1
1 629 . 17 1 1 A 76 76 GLY N N 76 113.042 112.839 0.203 1
1 630 . 17 1 1 A 77 77 VAL H H 77 8.185 7.508 0.677 1
1 631 . 17 1 1 A 77 77 VAL HA H 77 3.955 4.121 -0.166 1
1 639 . 17 1 1 A 77 77 VAL C C 77 173.122 175.673 -2.551 1
1 640 . 17 1 1 A 77 77 VAL CA C 77 63.160 62.243 0.917 1
1 641 . 17 1 1 A 77 77 VAL CB C 77 30.748 32.587 -1.839 1
1 644 . 17 1 1 A 77 77 VAL N N 77 124.214 120.718 3.496 1
1 645 . 17 1 1 A 78 78 ARG H H 78 8.635 8.796 -0.161 1
1 646 . 17 1 1 A 78 78 ARG HA H 78 4.547 4.695 -0.148 1
1 653 . 17 1 1 A 78 78 ARG C C 78 173.948 175.745 -1.797 1
1 654 . 17 1 1 A 78 78 ARG CA C 78 55.410 55.385 0.025 1
1 655 . 17 1 1 A 78 78 ARG CB C 78 33.618 31.526 2.092 1
1 658 . 17 1 1 A 78 78 ARG N N 78 121.505 124.851 -3.346 1
1 659 . 17 1 1 A 79 79 LEU H H 79 7.037 7.551 -0.514 1
1 660 . 17 1 1 A 79 79 LEU HA H 79 6.078 4.838 1.240 1
1 670 . 17 1 1 A 79 79 LEU C C 79 178.615 176.294 2.321 1
1 671 . 17 1 1 A 79 79 LEU CA C 79 52.286 53.048 -0.762 1
1 672 . 17 1 1 A 79 79 LEU CB C 79 46.763 44.680 2.083 1
1 676 . 17 1 1 A 79 79 LEU N N 79 116.511 121.043 -4.532 1
1 677 . 17 1 1 A 80 80 CYS H H 80 9.639 8.467 1.172 1
1 678 . 17 1 1 A 80 80 CYS HA H 80 4.595 4.576 0.019 1
1 681 . 17 1 1 A 80 80 CYS C C 80 174.898 175.418 -0.520 1
1 682 . 17 1 1 A 80 80 CYS CA C 80 57.983 58.680 -0.697 1
1 683 . 17 1 1 A 80 80 CYS CB C 80 31.306 29.259 2.047 1
1 684 . 17 1 1 A 80 80 CYS N N 80 121.517 124.025 -2.508 1
1 685 . 17 1 1 A 81 81 ILE H H 81 9.215 8.562 0.653 1
1 686 . 17 1 1 A 81 81 ILE HA H 81 3.836 3.857 -0.021 1
1 696 . 17 1 1 A 81 81 ILE C C 81 176.081 177.384 -1.303 1
1 697 . 17 1 1 A 81 81 ILE CA C 81 63.715 64.284 -0.569 1
1 698 . 17 1 1 A 81 81 ILE CB C 81 38.309 37.826 0.483 1
1 702 . 17 1 1 A 81 81 ILE N N 81 119.426 123.134 -3.708 1
1 703 . 17 1 1 A 82 82 HIS H H 82 7.439 7.758 -0.319 1
1 704 . 17 1 1 A 82 82 HIS HA H 82 4.354 4.377 -0.023 1
1 709 . 17 1 1 A 82 82 HIS C C 82 178.603 178.343 0.260 1
1 710 . 17 1 1 A 82 82 HIS CA C 82 59.802 59.487 0.315 1
1 711 . 17 1 1 A 82 82 HIS CB C 82 30.164 29.814 0.350 1
1 714 . 17 1 1 A 82 82 HIS N N 82 122.605 119.284 3.321 1
1 715 . 17 1 1 A 83 83 CYS H H 83 8.960 7.955 1.005 1
1 716 . 17 1 1 A 83 83 CYS HA H 83 3.995 4.315 -0.320 1
1 719 . 17 1 1 A 83 83 CYS C C 83 178.676 177.175 1.501 1
1 720 . 17 1 1 A 83 83 CYS CA C 83 64.648 61.532 3.116 1
1 721 . 17 1 1 A 83 83 CYS CB C 83 29.618 26.530 3.088 1
1 722 . 17 1 1 A 83 83 CYS N N 83 124.742 117.809 6.933 1
1 723 . 17 1 1 A 84 84 GLN H H 84 8.525 8.073 0.452 1
1 724 . 17 1 1 A 84 84 GLN HA H 84 3.812 4.102 -0.290 1
1 731 . 17 1 1 A 84 84 GLN C C 84 177.478 178.174 -0.696 1
1 732 . 17 1 1 A 84 84 GLN CA C 84 58.750 58.909 -0.159 1
1 733 . 17 1 1 A 84 84 GLN CB C 84 28.372 28.741 -0.369 1
1 735 . 17 1 1 A 84 84 GLN N N 84 120.642 121.261 -0.619 1
1 737 . 17 1 1 A 85 85 GLN H H 85 8.100 8.094 0.006 1
1 738 . 17 1 1 A 85 85 GLN HA H 85 4.117 4.057 0.060 1
1 745 . 17 1 1 A 85 85 GLN C C 85 178.483 177.748 0.735 1
1 746 . 17 1 1 A 85 85 GLN CA C 85 58.857 58.703 0.154 1
1 747 . 17 1 1 A 85 85 GLN CB C 85 28.261 28.686 -0.425 1
1 749 . 17 1 1 A 85 85 GLN N N 85 118.154 117.636 0.518 1
1 751 . 17 1 1 A 86 86 GLU H H 86 7.657 8.430 -0.773 1
1 752 . 17 1 1 A 86 86 GLU HA H 86 4.049 4.073 -0.024 1
1 757 . 17 1 1 A 86 86 GLU C C 86 178.798 178.459 0.339 1
1 758 . 17 1 1 A 86 86 GLU CA C 86 58.852 59.344 -0.492 1
1 759 . 17 1 1 A 86 86 GLU CB C 86 29.716 29.187 0.529 1
1 761 . 17 1 1 A 86 86 GLU N N 86 118.055 118.718 -0.663 1
1 762 . 17 1 1 A 87 87 LYS H H 87 7.799 7.731 0.068 1
1 763 . 17 1 1 A 87 87 LYS HA H 87 4.056 4.136 -0.080 1
1 772 . 17 1 1 A 87 87 LYS C C 87 179.025 179.323 -0.298 1
1 773 . 17 1 1 A 87 87 LYS CA C 87 58.452 58.861 -0.409 1
1 774 . 17 1 1 A 87 87 LYS CB C 87 32.067 31.924 0.143 1
1 778 . 17 1 1 A 87 87 LYS N N 87 119.741 119.236 0.505 1
1 779 . 17 1 1 A 88 88 ASP H H 88 8.300 8.273 0.027 1
1 780 . 17 1 1 A 88 88 ASP HA H 88 4.461 4.439 0.022 1
1 783 . 17 1 1 A 88 88 ASP C C 88 177.597 178.268 -0.671 1
1 784 . 17 1 1 A 88 88 ASP CA C 88 56.228 57.098 -0.870 1
1 785 . 17 1 1 A 88 88 ASP CB C 88 40.500 41.908 -1.408 1
1 786 . 17 1 1 A 88 88 ASP N N 88 119.700 119.804 -0.104 1
1 787 . 17 1 1 A 89 89 LEU H H 89 7.672 8.221 -0.549 1
1 788 . 17 1 1 A 89 89 LEU HA H 89 4.227 4.020 0.207 1
1 798 . 17 1 1 A 89 89 LEU C C 89 177.757 178.426 -0.669 1
1 799 . 17 1 1 A 89 89 LEU CA C 89 55.938 57.530 -1.592 1
1 800 . 17 1 1 A 89 89 LEU CB C 89 42.267 41.345 0.922 1
1 804 . 17 1 1 A 89 89 LEU N N 89 119.729 119.614 0.115 1
1 805 . 17 1 1 A 90 90 GLN H H 90 7.823 7.482 0.341 1
1 806 . 17 1 1 A 90 90 GLN HA H 90 4.264 4.370 -0.106 1
1 813 . 17 1 1 A 90 90 GLN C C 90 175.896 176.095 -0.199 1
1 814 . 17 1 1 A 90 90 GLN CA C 90 55.828 56.088 -0.260 1
1 815 . 17 1 1 A 90 90 GLN CB C 90 28.871 29.495 -0.624 1
1 817 . 17 1 1 A 90 90 GLN N N 90 118.133 116.043 2.090 1
1 819 . 17 1 1 A 91 91 LYS H H 91 8.016 7.188 0.828 1
1 820 . 17 1 1 A 91 91 LYS HA H 91 4.561 4.436 0.125 1
1 829 . 17 1 1 A 91 91 LYS CA C 91 54.567 54.452 0.115 1
1 830 . 17 1 1 A 91 91 LYS CB C 91 32.373 32.477 -0.104 1
1 834 . 17 1 1 A 91 91 LYS N N 91 122.571 119.864 2.707 1
1 835 . 17 1 1 A 92 92 PRO HA H 92 4.372 4.478 -0.106 1
1 842 . 17 1 1 A 92 92 PRO C C 92 176.665 177.764 -1.099 1
1 843 . 17 1 1 A 92 92 PRO CA C 92 63.251 63.755 -0.504 1
1 844 . 17 1 1 A 92 92 PRO CB C 92 32.073 32.304 -0.231 1
1 847 . 17 1 1 A 93 93 ALA H H 93 8.364 7.967 0.397 1
1 848 . 17 1 1 A 93 93 ALA HA H 93 4.245 3.982 0.263 1
1 852 . 17 1 1 A 93 93 ALA C C 93 177.504 176.009 1.495 1
1 853 . 17 1 1 A 93 93 ALA CA C 93 52.458 54.379 -1.921 1
1 854 . 17 1 1 A 93 93 ALA CB C 93 19.247 17.108 2.139 1
1 855 . 17 1 1 A 93 93 ALA N N 93 123.718 119.120 4.598 1
1 856 . 17 1 1 A 94 94 TYR H H 94 8.153 8.030 0.123 1
1 857 . 17 1 1 A 94 94 TYR HA H 94 4.626 4.762 -0.136 1
1 864 . 17 1 1 A 94 94 TYR C C 94 176.141 174.425 1.716 1
1 865 . 17 1 1 A 94 94 TYR CA C 94 57.859 56.126 1.733 1
1 866 . 17 1 1 A 94 94 TYR CB C 94 38.793 40.971 -2.178 1
1 871 . 17 1 1 A 94 94 TYR N N 94 119.293 117.271 2.022 1
1 872 . 17 1 1 A 95 95 THR H H 95 8.119 8.898 -0.779 1
1 873 . 17 1 1 A 95 95 THR HA H 95 4.286 4.775 -0.489 1
1 878 . 17 1 1 A 95 95 THR C C 95 174.813 175.212 -0.399 1
1 879 . 17 1 1 A 95 95 THR CA C 95 61.758 60.371 1.387 1
1 880 . 17 1 1 A 95 95 THR CB C 95 69.860 70.108 -0.248 1
1 882 . 17 1 1 A 95 95 THR N N 95 115.890 114.296 1.594 1
1 883 . 17 1 1 A 96 96 GLY H H 96 7.669 8.814 -1.145 1
1 884 . 17 1 1 A 96 96 GLY HA2 H 96 3.875 3.969 -0.094 1
1 885 . 17 1 1 A 96 96 GLY HA3 H 96 3.822 4.065 -0.243 1
1 886 . 17 1 1 A 96 96 GLY C C 96 173.774 174.308 -0.534 1
1 887 . 17 1 1 A 96 96 GLY CA C 96 45.320 45.659 -0.339 1
1 888 . 17 1 1 A 96 96 GLY N N 96 110.133 111.926 -1.793 1
1 889 . 17 1 1 A 97 97 TYR H H 97 8.028 7.105 0.923 1
1 890 . 17 1 1 A 97 97 TYR HA H 97 4.510 5.100 -0.590 1
1 897 . 17 1 1 A 97 97 TYR CA C 97 58.115 55.936 2.179 1
1 898 . 17 1 1 A 97 97 TYR CB C 97 38.769 41.362 -2.593 1
1 903 . 17 1 1 A 97 97 TYR N N 97 119.945 117.252 2.693 1
1 904 . 17 1 1 A 98 98 ASN HA H 98 4.641 4.984 -0.343 1
1 909 . 17 1 1 A 98 98 ASN C C 98 174.882 174.693 0.189 1
1 910 . 17 1 1 A 98 98 ASN CA C 98 53.067 53.419 -0.352 1
1 911 . 17 1 1 A 98 98 ASN CB C 98 38.835 39.044 -0.209 1
1 913 . 17 1 1 A 99 99 ARG H H 99 8.226 8.655 -0.429 1
1 914 . 17 1 1 A 99 99 ARG HA H 99 4.259 4.749 -0.490 1
1 921 . 17 1 1 A 99 99 ARG C C 99 176.406 176.381 0.025 1
1 922 . 17 1 1 A 99 99 ARG CA C 99 56.464 54.390 2.074 1
1 923 . 17 1 1 A 99 99 ARG CB C 99 30.588 32.664 -2.076 1
1 926 . 17 1 1 A 99 99 ARG N N 99 121.620 123.340 -1.720 1
1 927 . 17 1 1 A 100 100 ARG H H 100 8.398 8.434 -0.036 1
1 928 . 17 1 1 A 100 100 ARG N N 100 121.935 122.152 -0.217 1
1 929 . 17 1 1 A 101 101 GLY HA2 H 101 3.835 4.138 -0.303 1
1 930 . 17 1 1 A 101 101 GLY HA3 H 101 3.835 4.141 -0.306 1
1 931 . 17 1 1 A 101 101 GLY CA C 101 43.935 44.533 -0.598 1
1 932 . 17 1 1 A 102 102 SER HA H 102 4.460 5.036 -0.576 1
1 935 . 17 1 1 A 102 102 SER CA C 102 58.458 57.793 0.665 1
1 936 . 17 1 1 A 102 102 SER CB C 102 64.128 64.184 -0.056 1
1 937 . 17 1 1 A 103 103 LYS H H 103 8.524 8.719 -0.195 1
1 938 . 17 1 1 A 103 103 LYS HA H 103 4.305 4.959 -0.654 1
1 947 . 17 1 1 A 103 103 LYS CA C 103 56.788 54.753 2.035 1
1 948 . 17 1 1 A 103 103 LYS CB C 103 32.766 35.443 -2.677 1
1 952 . 17 1 1 A 103 103 LYS N N 103 123.092 123.262 -0.170 1
1 953 . 17 1 1 A 104 104 ASP H H 104 8.316 8.720 -0.404 1
1 954 . 17 1 1 A 104 104 ASP HA H 104 4.612 4.866 -0.254 1
1 957 . 17 1 1 A 104 104 ASP C C 104 176.493 175.419 1.074 1
1 958 . 17 1 1 A 104 104 ASP CA C 104 54.704 53.955 0.749 1
1 959 . 17 1 1 A 104 104 ASP CB C 104 41.277 42.113 -0.836 1
1 960 . 17 1 1 A 104 104 ASP N N 104 120.807 122.299 -1.492 1
1 961 . 17 1 1 A 105 105 SER H H 105 8.215 8.634 -0.419 1
1 962 . 17 1 1 A 105 105 SER HA H 105 4.390 4.749 -0.359 1
1 965 . 17 1 1 A 105 105 SER C C 105 174.659 173.242 1.417 1
1 966 . 17 1 1 A 105 105 SER CA C 105 58.889 57.418 1.471 1
1 967 . 17 1 1 A 105 105 SER CB C 105 63.781 64.866 -1.085 1
1 968 . 17 1 1 A 105 105 SER N N 105 116.100 119.082 -2.982 1
1 969 . 17 1 1 A 106 106 GLN H H 106 8.396 7.535 0.861 1
1 970 . 17 1 1 A 106 106 GLN HA H 106 4.344 4.924 -0.580 1
1 977 . 17 1 1 A 106 106 GLN C C 106 175.746 175.601 0.145 1
1 978 . 17 1 1 A 106 106 GLN CA C 106 55.981 53.832 2.149 1
1 979 . 17 1 1 A 106 106 GLN CB C 106 29.351 31.549 -2.198 1
1 981 . 17 1 1 A 106 106 GLN N N 106 121.640 118.891 2.749 1
1 983 . 17 1 1 A 107 107 LEU H H 107 8.172 8.305 -0.133 1
1 984 . 17 1 1 A 107 107 LEU HA H 107 4.348 4.561 -0.213 1
1 994 . 17 1 1 A 107 107 LEU C C 107 176.328 177.313 -0.985 1
1 995 . 17 1 1 A 107 107 LEU CA C 107 55.385 54.106 1.279 1
1 996 . 17 1 1 A 107 107 LEU CB C 107 42.163 41.424 0.739 1
1 1000 . 17 1 1 A 107 107 LEU N N 107 123.200 118.290 4.910 1
1 12 . 18 1 1 A 22 22 ALA H H 22 8.289 7.511 0.778 1
1 13 . 18 1 1 A 22 22 ALA HA H 22 4.277 4.500 -0.223 1
1 17 . 18 1 1 A 22 22 ALA C C 22 177.730 175.353 2.377 1
1 18 . 18 1 1 A 22 22 ALA CA C 22 52.742 52.025 0.717 1
1 19 . 18 1 1 A 22 22 ALA CB C 22 19.263 20.113 -0.850 1
1 20 . 18 1 1 A 22 22 ALA N N 22 125.042 116.722 8.320 1
1 21 . 18 1 1 A 23 23 SER H H 23 8.253 8.961 -0.708 1
1 22 . 18 1 1 A 23 23 SER HA H 23 4.374 5.135 -0.761 1
1 25 . 18 1 1 A 23 23 SER C C 23 175.066 173.961 1.105 1
1 26 . 18 1 1 A 23 23 SER CA C 23 58.670 57.617 1.053 1
1 27 . 18 1 1 A 23 23 SER CB C 23 63.822 66.778 -2.956 1
1 28 . 18 1 1 A 23 23 SER N N 23 114.713 118.390 -3.677 1
1 29 . 18 1 1 A 24 24 GLY H H 24 8.368 8.834 -0.466 1
1 30 . 18 1 1 A 24 24 GLY HA2 H 24 3.945 3.964 -0.019 1
1 31 . 18 1 1 A 24 24 GLY HA3 H 24 3.886 4.003 -0.117 1
1 32 . 18 1 1 A 24 24 GLY C C 24 173.906 175.260 -1.354 1
1 33 . 18 1 1 A 24 24 GLY CA C 24 45.410 46.106 -0.696 1
1 34 . 18 1 1 A 24 24 GLY N N 24 110.595 114.422 -3.827 1
1 35 . 18 1 1 A 25 25 TRP H H 25 7.961 8.059 -0.098 1
1 36 . 18 1 1 A 25 25 TRP HA H 25 4.632 4.572 0.060 1
1 45 . 18 1 1 A 25 25 TRP C C 25 175.880 176.794 -0.914 1
1 46 . 18 1 1 A 25 25 TRP CA C 25 57.289 58.853 -1.564 1
1 47 . 18 1 1 A 25 25 TRP CB C 25 29.725 29.827 -0.102 1
1 53 . 18 1 1 A 25 25 TRP N N 25 120.881 120.707 0.174 1
1 55 . 18 1 1 A 26 26 ALA H H 26 8.129 7.137 0.992 1
1 56 . 18 1 1 A 26 26 ALA HA H 26 4.222 4.131 0.091 1
1 60 . 18 1 1 A 26 26 ALA C C 26 176.977 177.511 -0.534 1
1 61 . 18 1 1 A 26 26 ALA CA C 26 52.345 52.611 -0.266 1
1 62 . 18 1 1 A 26 26 ALA CB C 26 19.414 19.133 0.281 1
1 63 . 18 1 1 A 26 26 ALA N N 26 125.541 120.244 5.297 1
1 64 . 18 1 1 A 27 27 ASN H H 27 8.139 6.959 1.180 1
1 65 . 18 1 1 A 27 27 ASN HA H 27 4.581 4.103 0.478 1
1 70 . 18 1 1 A 27 27 ASN C C 27 175.044 174.152 0.892 1
1 71 . 18 1 1 A 27 27 ASN CA C 27 53.260 54.089 -0.829 1
1 72 . 18 1 1 A 27 27 ASN CB C 27 39.022 36.829 2.193 1
1 73 . 18 1 1 A 27 27 ASN N N 27 117.794 112.159 5.635 1
1 75 . 18 1 1 A 28 28 ASP H H 28 8.286 7.797 0.489 1
1 76 . 18 1 1 A 28 28 ASP HA H 28 4.581 4.481 0.100 1
1 79 . 18 1 1 A 28 28 ASP C C 28 176.163 176.818 -0.655 1
1 80 . 18 1 1 A 28 28 ASP CA C 28 54.629 54.044 0.585 1
1 81 . 18 1 1 A 28 28 ASP CB C 28 41.129 41.684 -0.555 1
1 82 . 18 1 1 A 28 28 ASP N N 28 120.788 118.118 2.670 1
1 83 . 18 1 1 A 29 29 ASP H H 29 8.287 8.965 -0.678 1
1 84 . 18 1 1 A 29 29 ASP HA H 29 4.546 4.270 0.276 1
1 87 . 18 1 1 A 29 29 ASP C C 29 176.359 177.869 -1.510 1
1 88 . 18 1 1 A 29 29 ASP CA C 29 54.883 57.369 -2.486 1
1 89 . 18 1 1 A 29 29 ASP CB C 29 41.050 40.413 0.637 1
1 90 . 18 1 1 A 29 29 ASP N N 29 120.641 123.226 -2.585 1
1 91 . 18 1 1 A 30 30 ALA H H 30 8.141 7.844 0.297 1
1 92 . 18 1 1 A 30 30 ALA HA H 30 4.278 4.113 0.165 1
1 96 . 18 1 1 A 30 30 ALA C C 30 178.218 178.685 -0.467 1
1 97 . 18 1 1 A 30 30 ALA CA C 30 53.006 54.273 -1.267 1
1 98 . 18 1 1 A 30 30 ALA CB C 30 19.115 18.326 0.789 1
1 99 . 18 1 1 A 30 30 ALA N N 30 123.561 120.674 2.887 1
1 100 . 18 1 1 A 31 31 VAL H H 31 7.996 7.258 0.738 1
1 101 . 18 1 1 A 31 31 VAL HA H 31 4.010 3.828 0.182 1
1 109 . 18 1 1 A 31 31 VAL C C 31 175.417 178.317 -2.900 1
1 110 . 18 1 1 A 31 31 VAL CA C 31 62.896 65.730 -2.834 1
1 111 . 18 1 1 A 31 31 VAL CB C 31 32.567 31.643 0.924 1
1 114 . 18 1 1 A 31 31 VAL N N 31 118.676 116.325 2.351 1
1 115 . 18 1 1 A 32 32 ASN H H 32 8.364 7.849 0.515 1
1 116 . 18 1 1 A 32 32 ASN HA H 32 4.694 4.472 0.222 1
1 121 . 18 1 1 A 32 32 ASN C C 32 174.659 178.369 -3.710 1
1 122 . 18 1 1 A 32 32 ASN CA C 32 53.547 56.674 -3.127 1
1 123 . 18 1 1 A 32 32 ASN CB C 32 38.939 38.031 0.908 1
1 124 . 18 1 1 A 32 32 ASN N N 32 121.518 119.346 2.172 1
1 126 . 18 1 1 A 33 33 GLU H H 33 8.380 7.689 0.691 1
1 127 . 18 1 1 A 33 33 GLU HA H 33 4.240 4.124 0.116 1
1 132 . 18 1 1 A 33 33 GLU C C 33 176.641 179.265 -2.624 1
1 133 . 18 1 1 A 33 33 GLU CA C 33 57.074 59.405 -2.331 1
1 134 . 18 1 1 A 33 33 GLU CB C 33 30.212 29.163 1.049 1
1 136 . 18 1 1 A 33 33 GLU N N 33 121.497 120.118 1.379 1
1 137 . 18 1 1 A 34 34 GLN H H 34 8.333 7.854 0.479 1
1 138 . 18 1 1 A 34 34 GLN HA H 34 4.315 4.175 0.140 1
1 145 . 18 1 1 A 34 34 GLN C C 34 176.325 177.863 -1.538 1
1 146 . 18 1 1 A 34 34 GLN CA C 34 56.232 58.489 -2.257 1
1 147 . 18 1 1 A 34 34 GLN CB C 34 29.304 28.552 0.752 1
1 149 . 18 1 1 A 34 34 GLN N N 34 120.891 119.493 1.398 1
1 151 . 18 1 1 A 35 35 ILE H H 35 8.155 7.597 0.558 1
1 152 . 18 1 1 A 35 35 ILE HA H 35 4.116 3.968 0.148 1
1 162 . 18 1 1 A 35 35 ILE C C 35 176.203 176.553 -0.350 1
1 163 . 18 1 1 A 35 35 ILE CA C 35 61.645 64.003 -2.358 1
1 164 . 18 1 1 A 35 35 ILE CB C 35 38.640 37.836 0.804 1
1 168 . 18 1 1 A 35 35 ILE N N 35 121.784 120.504 1.280 1
1 169 . 18 1 1 A 36 36 ASN H H 36 8.504 8.211 0.293 1
1 170 . 18 1 1 A 36 36 ASN HA H 36 4.760 4.433 0.327 1
1 175 . 18 1 1 A 36 36 ASN C C 36 175.468 175.279 0.189 1
1 176 . 18 1 1 A 36 36 ASN CA C 36 53.504 54.096 -0.592 1
1 177 . 18 1 1 A 36 36 ASN CB C 36 38.947 36.287 2.660 1
1 178 . 18 1 1 A 36 36 ASN N N 36 122.204 120.025 2.179 1
1 180 . 18 1 1 A 37 37 SER H H 37 8.380 8.044 0.336 1
1 181 . 18 1 1 A 37 37 SER HA H 37 4.505 4.732 -0.227 1
1 184 . 18 1 1 A 37 37 SER C C 37 174.990 174.441 0.549 1
1 185 . 18 1 1 A 37 37 SER CA C 37 58.963 58.442 0.521 1
1 186 . 18 1 1 A 37 37 SER CB C 37 63.760 62.904 0.856 1
1 187 . 18 1 1 A 37 37 SER N N 37 116.788 114.616 2.172 1
1 188 . 18 1 1 A 38 38 THR H H 38 8.302 7.818 0.484 1
1 189 . 18 1 1 A 38 38 THR HA H 38 4.369 4.142 0.227 1
1 194 . 18 1 1 A 38 38 THR C C 38 175.437 176.844 -1.407 1
1 195 . 18 1 1 A 38 38 THR CA C 38 62.751 65.023 -2.272 1
1 196 . 18 1 1 A 38 38 THR CB C 38 69.838 69.476 0.362 1
1 198 . 18 1 1 A 38 38 THR N N 38 116.285 115.471 0.814 1
1 199 . 18 1 1 A 39 39 ILE H H 39 8.153 7.520 0.633 1
1 200 . 18 1 1 A 39 39 ILE HA H 39 4.080 3.543 0.537 1
1 210 . 18 1 1 A 39 39 ILE C C 39 176.850 178.094 -1.244 1
1 211 . 18 1 1 A 39 39 ILE CA C 39 62.295 65.671 -3.376 1
1 212 . 18 1 1 A 39 39 ILE CB C 39 38.373 38.137 0.236 1
1 216 . 18 1 1 A 39 39 ILE N N 39 123.148 120.847 2.301 1
1 217 . 18 1 1 A 40 40 GLU H H 40 8.438 8.306 0.132 1
1 218 . 18 1 1 A 40 40 GLU HA H 40 4.146 4.118 0.028 1
1 223 . 18 1 1 A 40 40 GLU C C 40 177.573 178.871 -1.298 1
1 224 . 18 1 1 A 40 40 GLU CA C 40 58.026 58.718 -0.692 1
1 225 . 18 1 1 A 40 40 GLU CB C 40 29.870 28.670 1.200 1
1 227 . 18 1 1 A 40 40 GLU N N 40 123.184 120.356 2.828 1
1 228 . 18 1 1 A 41 41 ASP H H 41 8.295 8.304 -0.009 1
1 229 . 18 1 1 A 41 41 ASP HA H 41 4.512 4.341 0.171 1
1 232 . 18 1 1 A 41 41 ASP C C 41 176.856 178.190 -1.334 1
1 233 . 18 1 1 A 41 41 ASP CA C 41 55.563 57.736 -2.173 1
1 234 . 18 1 1 A 41 41 ASP CB C 41 41.080 41.163 -0.083 1
1 235 . 18 1 1 A 41 41 ASP N N 41 121.311 121.356 -0.045 1
1 236 . 18 1 1 A 42 42 ALA H H 42 8.098 7.709 0.389 1
1 237 . 18 1 1 A 42 42 ALA HA H 42 4.153 4.106 0.047 1
1 241 . 18 1 1 A 42 42 ALA C C 42 179.658 180.628 -0.970 1
1 242 . 18 1 1 A 42 42 ALA CA C 42 54.315 55.159 -0.844 1
1 243 . 18 1 1 A 42 42 ALA CB C 42 18.765 18.067 0.698 1
1 244 . 18 1 1 A 42 42 ALA N N 42 123.411 121.430 1.981 1
1 245 . 18 1 1 A 43 43 ILE H H 43 8.047 7.672 0.375 1
1 246 . 18 1 1 A 43 43 ILE HA H 43 3.904 3.756 0.148 1
1 256 . 18 1 1 A 43 43 ILE C C 43 176.603 178.255 -1.652 1
1 257 . 18 1 1 A 43 43 ILE CA C 43 63.028 64.686 -1.658 1
1 258 . 18 1 1 A 43 43 ILE CB C 43 38.140 36.666 1.474 1
1 262 . 18 1 1 A 43 43 ILE N N 43 119.853 118.233 1.620 1
1 263 . 18 1 1 A 44 44 ALA H H 44 8.072 7.889 0.183 1
1 264 . 18 1 1 A 44 44 ALA HA H 44 4.162 4.104 0.058 1
1 268 . 18 1 1 A 44 44 ALA C C 44 179.414 179.269 0.145 1
1 269 . 18 1 1 A 44 44 ALA CA C 44 54.011 55.035 -1.024 1
1 270 . 18 1 1 A 44 44 ALA CB C 44 18.614 18.056 0.558 1
1 271 . 18 1 1 A 44 44 ALA N N 44 124.814 123.779 1.035 1
1 272 . 18 1 1 A 45 45 ARG H H 45 8.177 7.972 0.205 1
1 273 . 18 1 1 A 45 45 ARG HA H 45 4.187 4.140 0.047 1
1 280 . 18 1 1 A 45 45 ARG C C 45 177.629 177.687 -0.058 1
1 281 . 18 1 1 A 45 45 ARG CA C 45 57.569 57.331 0.238 1
1 282 . 18 1 1 A 45 45 ARG CB C 45 30.600 29.701 0.899 1
1 285 . 18 1 1 A 45 45 ARG N N 45 118.718 116.433 2.285 1
1 286 . 18 1 1 A 46 46 ALA H H 46 8.004 7.774 0.230 1
1 287 . 18 1 1 A 46 46 ALA HA H 46 4.274 4.399 -0.125 1
1 291 . 18 1 1 A 46 46 ALA C C 46 178.519 178.553 -0.034 1
1 292 . 18 1 1 A 46 46 ALA CA C 46 53.339 53.901 -0.562 1
1 293 . 18 1 1 A 46 46 ALA CB C 46 18.827 19.868 -1.041 1
1 294 . 18 1 1 A 46 46 ALA N N 46 123.416 122.456 0.960 1
1 295 . 18 1 1 A 47 47 ARG H H 47 8.082 7.796 0.286 1
1 296 . 18 1 1 A 47 47 ARG HA H 47 4.285 4.502 -0.217 1
1 303 . 18 1 1 A 47 47 ARG C C 47 177.103 176.709 0.394 1
1 304 . 18 1 1 A 47 47 ARG CA C 47 56.871 54.944 1.927 1
1 305 . 18 1 1 A 47 47 ARG CB C 47 30.655 31.379 -0.724 1
1 308 . 18 1 1 A 47 47 ARG N N 47 118.672 113.021 5.651 1
1 309 . 18 1 1 A 48 48 GLY H H 48 8.160 7.541 0.619 1
1 310 . 18 1 1 A 48 48 GLY HA2 H 48 3.976 3.911 0.065 1
1 311 . 18 1 1 A 48 48 GLY HA3 H 48 3.976 3.913 0.063 1
1 312 . 18 1 1 A 48 48 GLY C C 48 174.015 174.778 -0.763 1
1 313 . 18 1 1 A 48 48 GLY CA C 48 45.337 46.673 -1.336 1
1 314 . 18 1 1 A 48 48 GLY N N 48 108.533 109.699 -1.166 1
1 315 . 18 1 1 A 49 49 GLU H H 49 8.113 8.144 -0.031 1
1 316 . 18 1 1 A 49 49 GLU HA H 49 4.317 4.372 -0.055 1
1 321 . 18 1 1 A 49 49 GLU C C 49 176.216 176.202 0.014 1
1 322 . 18 1 1 A 49 49 GLU CA C 49 56.125 58.188 -2.063 1
1 323 . 18 1 1 A 49 49 GLU CB C 49 30.497 30.562 -0.065 1
1 325 . 18 1 1 A 49 49 GLU N N 49 120.272 119.964 0.308 1
1 326 . 18 1 1 A 50 50 ILE H H 50 8.203 8.017 0.186 1
1 327 . 18 1 1 A 50 50 ILE HA H 50 4.419 4.302 0.117 1
1 337 . 18 1 1 A 50 50 ILE CA C 50 58.687 58.777 -0.090 1
1 338 . 18 1 1 A 50 50 ILE CB C 50 38.623 38.014 0.609 1
1 342 . 18 1 1 A 50 50 ILE N N 50 123.785 119.887 3.898 1
1 343 . 18 1 1 A 51 51 PRO HA H 51 4.414 4.606 -0.192 1
1 350 . 18 1 1 A 51 51 PRO C C 51 176.785 177.023 -0.238 1
1 351 . 18 1 1 A 51 51 PRO CA C 51 63.188 62.440 0.748 1
1 352 . 18 1 1 A 51 51 PRO CB C 51 32.210 33.543 -1.333 1
1 355 . 18 1 1 A 52 52 ARG H H 52 8.545 8.693 -0.148 1
1 356 . 18 1 1 A 52 52 ARG HA H 52 4.300 4.359 -0.059 1
1 363 . 18 1 1 A 52 52 ARG C C 52 176.985 175.738 1.247 1
1 364 . 18 1 1 A 52 52 ARG CA C 52 56.493 55.749 0.744 1
1 365 . 18 1 1 A 52 52 ARG CB C 52 30.944 29.773 1.171 1
1 368 . 18 1 1 A 52 52 ARG N N 52 122.009 119.794 2.215 1
1 369 . 18 1 1 A 53 53 GLY H H 53 8.504 7.969 0.535 1
1 370 . 18 1 1 A 53 53 GLY HA2 H 53 3.995 3.919 0.076 1
1 371 . 18 1 1 A 53 53 GLY HA3 H 53 3.934 3.921 0.013 1
1 372 . 18 1 1 A 53 53 GLY C C 53 173.562 174.989 -1.427 1
1 373 . 18 1 1 A 53 53 GLY CA C 53 44.990 46.712 -1.722 1
1 374 . 18 1 1 A 53 53 GLY N N 53 110.270 108.795 1.475 1
1 375 . 18 1 1 A 54 54 GLU H H 54 8.216 8.022 0.194 1
1 376 . 18 1 1 A 54 54 GLU HA H 54 4.364 4.367 -0.003 1
1 381 . 18 1 1 A 54 54 GLU C C 54 177.145 176.561 0.584 1
1 382 . 18 1 1 A 54 54 GLU CA C 54 55.883 56.285 -0.402 1
1 383 . 18 1 1 A 54 54 GLU CB C 54 30.696 31.038 -0.342 1
1 385 . 18 1 1 A 54 54 GLU N N 54 119.939 119.651 0.288 1
1 386 . 18 1 1 A 55 55 SER H H 55 8.916 8.482 0.434 1
1 387 . 18 1 1 A 55 55 SER HA H 55 4.544 4.495 0.049 1
1 390 . 18 1 1 A 55 55 SER C C 55 174.434 174.779 -0.345 1
1 391 . 18 1 1 A 55 55 SER CA C 55 58.592 60.162 -1.570 1
1 392 . 18 1 1 A 55 55 SER CB C 55 63.662 63.632 0.030 1
1 393 . 18 1 1 A 55 55 SER N N 55 118.742 118.267 0.475 1
1 394 . 18 1 1 A 56 56 LEU H H 56 8.598 7.885 0.713 1
1 395 . 18 1 1 A 56 56 LEU HA H 56 4.343 4.668 -0.325 1
1 405 . 18 1 1 A 56 56 LEU C C 56 176.024 177.109 -1.085 1
1 406 . 18 1 1 A 56 56 LEU CA C 56 54.782 53.467 1.315 1
1 407 . 18 1 1 A 56 56 LEU CB C 56 42.106 43.722 -1.616 1
1 411 . 18 1 1 A 56 56 LEU N N 56 125.386 125.555 -0.169 1
1 412 . 18 1 1 A 57 57 ASP H H 57 8.211 8.664 -0.453 1
1 413 . 18 1 1 A 57 57 ASP HA H 57 4.545 4.924 -0.379 1
1 416 . 18 1 1 A 57 57 ASP C C 57 176.869 175.628 1.241 1
1 417 . 18 1 1 A 57 57 ASP CA C 57 54.978 53.428 1.550 1
1 418 . 18 1 1 A 57 57 ASP CB C 57 41.477 41.568 -0.091 1
1 419 . 18 1 1 A 57 57 ASP N N 57 115.979 117.270 -1.291 1
1 420 . 18 1 1 A 58 58 GLU H H 58 7.469 7.689 -0.220 1
1 421 . 18 1 1 A 58 58 GLU HA H 58 4.717 4.720 -0.003 1
1 426 . 18 1 1 A 58 58 GLU C C 58 174.081 175.264 -1.183 1
1 427 . 18 1 1 A 58 58 GLU CA C 58 54.280 54.835 -0.555 1
1 428 . 18 1 1 A 58 58 GLU CB C 58 32.995 32.177 0.818 1
1 430 . 18 1 1 A 58 58 GLU N N 58 118.912 118.901 0.011 1
1 431 . 18 1 1 A 59 59 CYS H H 59 9.364 8.768 0.596 1
1 432 . 18 1 1 A 59 59 CYS HA H 59 4.248 4.302 -0.054 1
1 435 . 18 1 1 A 59 59 CYS C C 59 178.266 177.099 1.167 1
1 436 . 18 1 1 A 59 59 CYS CA C 59 59.782 60.244 -0.462 1
1 437 . 18 1 1 A 59 59 CYS CB C 59 31.041 28.960 2.081 1
1 438 . 18 1 1 A 59 59 CYS N N 59 124.760 125.472 -0.712 1
1 439 . 18 1 1 A 60 60 GLU H H 60 9.202 8.497 0.705 1
1 440 . 18 1 1 A 60 60 GLU HA H 60 4.202 4.188 0.014 1
1 445 . 18 1 1 A 60 60 GLU C C 60 175.834 176.029 -0.195 1
1 446 . 18 1 1 A 60 60 GLU CA C 60 58.503 57.300 1.203 1
1 447 . 18 1 1 A 60 60 GLU CB C 60 30.041 28.506 1.535 1
1 449 . 18 1 1 A 60 60 GLU N N 60 130.690 125.863 4.827 1
1 450 . 18 1 1 A 61 61 GLU H H 61 8.751 7.947 0.804 1
1 451 . 18 1 1 A 61 61 GLU HA H 61 4.542 4.440 0.102 1
1 456 . 18 1 1 A 61 61 GLU C C 61 177.312 178.015 -0.703 1
1 457 . 18 1 1 A 61 61 GLU CA C 61 58.094 57.492 0.602 1
1 458 . 18 1 1 A 61 61 GLU CB C 61 31.037 31.030 0.007 1
1 460 . 18 1 1 A 61 61 GLU N N 61 120.904 117.568 3.336 1
1 461 . 18 1 1 A 62 62 CYS H H 62 8.401 7.754 0.647 1
1 462 . 18 1 1 A 62 62 CYS HA H 62 5.014 4.612 0.402 1
1 465 . 18 1 1 A 62 62 CYS C C 62 177.324 175.530 1.794 1
1 466 . 18 1 1 A 62 62 CYS CA C 62 59.127 58.388 0.739 1
1 467 . 18 1 1 A 62 62 CYS CB C 62 33.355 29.084 4.271 1
1 468 . 18 1 1 A 62 62 CYS N N 62 117.947 114.200 3.747 1
1 469 . 18 1 1 A 63 63 GLY H H 63 8.048 8.129 -0.081 1
1 470 . 18 1 1 A 63 63 GLY HA2 H 63 4.234 3.931 0.303 1
1 471 . 18 1 1 A 63 63 GLY HA3 H 63 3.820 3.933 -0.113 1
1 472 . 18 1 1 A 63 63 GLY C C 63 172.914 174.832 -1.918 1
1 473 . 18 1 1 A 63 63 GLY CA C 63 46.163 46.695 -0.532 1
1 474 . 18 1 1 A 63 63 GLY N N 63 113.407 111.159 2.248 1
1 475 . 18 1 1 A 64 64 ALA H H 64 9.148 8.042 1.106 1
1 476 . 18 1 1 A 64 64 ALA HA H 64 4.536 4.432 0.104 1
1 480 . 18 1 1 A 64 64 ALA CA C 64 51.510 50.697 0.813 1
1 481 . 18 1 1 A 64 64 ALA CB C 64 19.099 18.897 0.202 1
1 482 . 18 1 1 A 64 64 ALA N N 64 127.297 123.494 3.803 1
1 483 . 18 1 1 A 65 65 PRO HA H 65 4.583 4.427 0.156 1
1 490 . 18 1 1 A 65 65 PRO C C 65 177.423 176.930 0.493 1
1 491 . 18 1 1 A 65 65 PRO CA C 65 63.020 63.262 -0.242 1
1 492 . 18 1 1 A 65 65 PRO CB C 65 31.832 31.685 0.147 1
1 495 . 18 1 1 A 66 66 ILE H H 66 8.053 8.208 -0.155 1
1 496 . 18 1 1 A 66 66 ILE HA H 66 4.330 4.278 0.052 1
1 506 . 18 1 1 A 66 66 ILE CA C 66 58.847 59.984 -1.137 1
1 507 . 18 1 1 A 66 66 ILE CB C 66 38.162 38.301 -0.139 1
1 511 . 18 1 1 A 66 66 ILE N N 66 125.090 123.962 1.128 1
1 512 . 18 1 1 A 67 67 PRO HA H 67 4.447 4.603 -0.156 1
1 519 . 18 1 1 A 67 67 PRO C C 67 177.325 177.816 -0.491 1
1 520 . 18 1 1 A 67 67 PRO CA C 67 62.883 62.755 0.128 1
1 521 . 18 1 1 A 67 67 PRO CB C 67 32.692 32.680 0.012 1
1 524 . 18 1 1 A 68 68 GLN H H 68 8.982 8.602 0.380 1
1 525 . 18 1 1 A 68 68 GLN HA H 68 3.791 3.988 -0.197 1
1 532 . 18 1 1 A 68 68 GLN C C 68 177.316 177.996 -0.680 1
1 533 . 18 1 1 A 68 68 GLN CA C 68 59.491 58.439 1.052 1
1 534 . 18 1 1 A 68 68 GLN CB C 68 27.882 28.072 -0.190 1
1 536 . 18 1 1 A 68 68 GLN N N 68 124.876 122.538 2.338 1
1 538 . 18 1 1 A 69 69 ALA H H 69 8.892 8.325 0.567 1
1 539 . 18 1 1 A 69 69 ALA HA H 69 4.100 4.041 0.059 1
1 543 . 18 1 1 A 69 69 ALA C C 69 180.347 179.673 0.674 1
1 544 . 18 1 1 A 69 69 ALA CA C 69 55.209 55.207 0.002 1
1 545 . 18 1 1 A 69 69 ALA CB C 69 18.097 18.148 -0.051 1
1 546 . 18 1 1 A 69 69 ALA N N 69 118.268 123.149 -4.881 1
1 547 . 18 1 1 A 70 70 ARG H H 70 7.020 7.728 -0.708 1
1 548 . 18 1 1 A 70 70 ARG HA H 70 4.234 4.093 0.141 1
1 555 . 18 1 1 A 70 70 ARG C C 70 176.438 178.764 -2.326 1
1 556 . 18 1 1 A 70 70 ARG CA C 70 58.791 59.161 -0.370 1
1 557 . 18 1 1 A 70 70 ARG CB C 70 29.544 29.797 -0.253 1
1 560 . 18 1 1 A 70 70 ARG N N 70 119.170 117.582 1.588 1
1 561 . 18 1 1 A 71 71 ARG H H 71 7.754 7.494 0.260 1
1 562 . 18 1 1 A 71 71 ARG HA H 71 3.807 4.173 -0.366 1
1 569 . 18 1 1 A 71 71 ARG C C 71 179.191 178.452 0.739 1
1 570 . 18 1 1 A 71 71 ARG CA C 71 59.782 58.982 0.800 1
1 571 . 18 1 1 A 71 71 ARG CB C 71 30.564 30.024 0.540 1
1 574 . 18 1 1 A 71 71 ARG N N 71 116.460 118.831 -2.371 1
1 575 . 18 1 1 A 72 72 GLU H H 72 8.062 8.092 -0.030 1
1 576 . 18 1 1 A 72 72 GLU HA H 72 4.014 4.105 -0.091 1
1 581 . 18 1 1 A 72 72 GLU C C 72 177.357 179.014 -1.657 1
1 582 . 18 1 1 A 72 72 GLU CA C 72 57.860 59.317 -1.457 1
1 583 . 18 1 1 A 72 72 GLU CB C 72 29.978 29.466 0.512 1
1 585 . 18 1 1 A 72 72 GLU N N 72 114.904 118.441 -3.537 1
1 586 . 18 1 1 A 73 73 ALA H H 73 7.686 7.714 -0.028 1
1 587 . 18 1 1 A 73 73 ALA HA H 73 4.199 4.154 0.045 1
1 591 . 18 1 1 A 73 73 ALA C C 73 178.246 177.974 0.272 1
1 592 . 18 1 1 A 73 73 ALA CA C 73 54.110 55.052 -0.942 1
1 593 . 18 1 1 A 73 73 ALA CB C 73 19.546 19.143 0.403 1
1 594 . 18 1 1 A 73 73 ALA N N 73 120.673 121.526 -0.853 1
1 595 . 18 1 1 A 74 74 ILE H H 74 7.609 7.883 -0.274 1
1 596 . 18 1 1 A 74 74 ILE HA H 74 4.318 4.332 -0.014 1
1 606 . 18 1 1 A 74 74 ILE CA C 74 57.722 58.294 -0.572 1
1 607 . 18 1 1 A 74 74 ILE CB C 74 38.313 37.951 0.362 1
1 611 . 18 1 1 A 74 74 ILE N N 74 117.475 117.286 0.189 1
1 612 . 18 1 1 A 75 75 PRO HA H 75 4.267 4.573 -0.306 1
1 619 . 18 1 1 A 75 75 PRO C C 75 179.050 176.881 2.169 1
1 620 . 18 1 1 A 75 75 PRO CA C 75 63.966 62.867 1.099 1
1 621 . 18 1 1 A 75 75 PRO CB C 75 31.409 29.782 1.627 1
1 624 . 18 1 1 A 76 76 GLY H H 76 8.594 7.626 0.968 1
1 625 . 18 1 1 A 76 76 GLY HA2 H 76 4.081 4.075 0.006 1
1 626 . 18 1 1 A 76 76 GLY HA3 H 76 3.402 4.075 -0.673 1
1 627 . 18 1 1 A 76 76 GLY C C 76 174.447 174.382 0.065 1
1 628 . 18 1 1 A 76 76 GLY CA C 76 45.138 45.473 -0.335 1
1 629 . 18 1 1 A 76 76 GLY N N 76 113.042 108.363 4.679 1
1 630 . 18 1 1 A 77 77 VAL H H 77 8.185 7.754 0.431 1
1 631 . 18 1 1 A 77 77 VAL HA H 77 3.955 4.285 -0.330 1
1 639 . 18 1 1 A 77 77 VAL C C 77 173.122 175.757 -2.635 1
1 640 . 18 1 1 A 77 77 VAL CA C 77 63.160 61.950 1.210 1
1 641 . 18 1 1 A 77 77 VAL CB C 77 30.748 32.664 -1.916 1
1 644 . 18 1 1 A 77 77 VAL N N 77 124.214 120.280 3.934 1
1 645 . 18 1 1 A 78 78 ARG H H 78 8.635 8.782 -0.147 1
1 646 . 18 1 1 A 78 78 ARG HA H 78 4.547 4.711 -0.164 1
1 653 . 18 1 1 A 78 78 ARG C C 78 173.948 175.783 -1.835 1
1 654 . 18 1 1 A 78 78 ARG CA C 78 55.410 55.375 0.035 1
1 655 . 18 1 1 A 78 78 ARG CB C 78 33.618 31.375 2.243 1
1 658 . 18 1 1 A 78 78 ARG N N 78 121.505 125.074 -3.569 1
1 659 . 18 1 1 A 79 79 LEU H H 79 7.037 7.470 -0.433 1
1 660 . 18 1 1 A 79 79 LEU HA H 79 6.078 4.856 1.222 1
1 670 . 18 1 1 A 79 79 LEU C C 79 178.615 176.220 2.395 1
1 671 . 18 1 1 A 79 79 LEU CA C 79 52.286 53.439 -1.153 1
1 672 . 18 1 1 A 79 79 LEU CB C 79 46.763 46.016 0.747 1
1 676 . 18 1 1 A 79 79 LEU N N 79 116.511 120.310 -3.799 1
1 677 . 18 1 1 A 80 80 CYS H H 80 9.639 8.518 1.121 1
1 678 . 18 1 1 A 80 80 CYS HA H 80 4.595 4.567 0.028 1
1 681 . 18 1 1 A 80 80 CYS C C 80 174.898 175.394 -0.496 1
1 682 . 18 1 1 A 80 80 CYS CA C 80 57.983 58.474 -0.491 1
1 683 . 18 1 1 A 80 80 CYS CB C 80 31.306 29.633 1.673 1
1 684 . 18 1 1 A 80 80 CYS N N 80 121.517 123.261 -1.744 1
1 685 . 18 1 1 A 81 81 ILE H H 81 9.215 8.549 0.666 1
1 686 . 18 1 1 A 81 81 ILE HA H 81 3.836 3.823 0.013 1
1 696 . 18 1 1 A 81 81 ILE C C 81 176.081 177.487 -1.406 1
1 697 . 18 1 1 A 81 81 ILE CA C 81 63.715 64.316 -0.601 1
1 698 . 18 1 1 A 81 81 ILE CB C 81 38.309 37.739 0.570 1
1 702 . 18 1 1 A 81 81 ILE N N 81 119.426 122.736 -3.310 1
1 703 . 18 1 1 A 82 82 HIS H H 82 7.439 7.907 -0.468 1
1 704 . 18 1 1 A 82 82 HIS HA H 82 4.354 4.360 -0.006 1
1 709 . 18 1 1 A 82 82 HIS C C 82 178.603 178.073 0.530 1
1 710 . 18 1 1 A 82 82 HIS CA C 82 59.802 59.626 0.176 1
1 711 . 18 1 1 A 82 82 HIS CB C 82 30.164 29.245 0.919 1
1 714 . 18 1 1 A 82 82 HIS N N 82 122.605 119.776 2.829 1
1 715 . 18 1 1 A 83 83 CYS H H 83 8.960 8.132 0.828 1
1 716 . 18 1 1 A 83 83 CYS HA H 83 3.995 4.373 -0.378 1
1 719 . 18 1 1 A 83 83 CYS C C 83 178.676 177.051 1.625 1
1 720 . 18 1 1 A 83 83 CYS CA C 83 64.648 61.533 3.115 1
1 721 . 18 1 1 A 83 83 CYS CB C 83 29.618 26.715 2.903 1
1 722 . 18 1 1 A 83 83 CYS N N 83 124.742 117.719 7.023 1
1 723 . 18 1 1 A 84 84 GLN H H 84 8.525 8.180 0.345 1
1 724 . 18 1 1 A 84 84 GLN HA H 84 3.812 4.055 -0.243 1
1 731 . 18 1 1 A 84 84 GLN C C 84 177.478 178.097 -0.619 1
1 732 . 18 1 1 A 84 84 GLN CA C 84 58.750 58.894 -0.144 1
1 733 . 18 1 1 A 84 84 GLN CB C 84 28.372 28.550 -0.178 1
1 735 . 18 1 1 A 84 84 GLN N N 84 120.642 121.082 -0.440 1
1 737 . 18 1 1 A 85 85 GLN H H 85 8.100 8.097 0.003 1
1 738 . 18 1 1 A 85 85 GLN HA H 85 4.117 4.021 0.096 1
1 745 . 18 1 1 A 85 85 GLN C C 85 178.483 177.981 0.502 1
1 746 . 18 1 1 A 85 85 GLN CA C 85 58.857 58.738 0.119 1
1 747 . 18 1 1 A 85 85 GLN CB C 85 28.261 28.622 -0.361 1
1 749 . 18 1 1 A 85 85 GLN N N 85 118.154 117.725 0.429 1
1 751 . 18 1 1 A 86 86 GLU H H 86 7.657 8.362 -0.705 1
1 752 . 18 1 1 A 86 86 GLU HA H 86 4.049 4.065 -0.016 1
1 757 . 18 1 1 A 86 86 GLU C C 86 178.798 178.575 0.223 1
1 758 . 18 1 1 A 86 86 GLU CA C 86 58.852 59.430 -0.578 1
1 759 . 18 1 1 A 86 86 GLU CB C 86 29.716 29.243 0.473 1
1 761 . 18 1 1 A 86 86 GLU N N 86 118.055 118.669 -0.614 1
1 762 . 18 1 1 A 87 87 LYS H H 87 7.799 7.546 0.253 1
1 763 . 18 1 1 A 87 87 LYS HA H 87 4.056 4.109 -0.053 1
1 772 . 18 1 1 A 87 87 LYS C C 87 179.025 179.218 -0.193 1
1 773 . 18 1 1 A 87 87 LYS CA C 87 58.452 58.799 -0.347 1
1 774 . 18 1 1 A 87 87 LYS CB C 87 32.067 32.049 0.018 1
1 778 . 18 1 1 A 87 87 LYS N N 87 119.741 119.548 0.193 1
1 779 . 18 1 1 A 88 88 ASP H H 88 8.300 8.256 0.044 1
1 780 . 18 1 1 A 88 88 ASP HA H 88 4.461 4.371 0.090 1
1 783 . 18 1 1 A 88 88 ASP C C 88 177.597 178.350 -0.753 1
1 784 . 18 1 1 A 88 88 ASP CA C 88 56.228 57.559 -1.331 1
1 785 . 18 1 1 A 88 88 ASP CB C 88 40.500 42.261 -1.761 1
1 786 . 18 1 1 A 88 88 ASP N N 88 119.700 119.832 -0.132 1
1 787 . 18 1 1 A 89 89 LEU H H 89 7.672 8.190 -0.518 1
1 788 . 18 1 1 A 89 89 LEU HA H 89 4.227 4.013 0.214 1
1 798 . 18 1 1 A 89 89 LEU C C 89 177.757 178.382 -0.625 1
1 799 . 18 1 1 A 89 89 LEU CA C 89 55.938 57.376 -1.438 1
1 800 . 18 1 1 A 89 89 LEU CB C 89 42.267 41.362 0.905 1
1 804 . 18 1 1 A 89 89 LEU N N 89 119.729 119.394 0.335 1
1 805 . 18 1 1 A 90 90 GLN H H 90 7.823 7.546 0.277 1
1 806 . 18 1 1 A 90 90 GLN HA H 90 4.264 4.310 -0.046 1
1 813 . 18 1 1 A 90 90 GLN C C 90 175.896 176.134 -0.238 1
1 814 . 18 1 1 A 90 90 GLN CA C 90 55.828 56.368 -0.540 1
1 815 . 18 1 1 A 90 90 GLN CB C 90 28.871 29.185 -0.314 1
1 817 . 18 1 1 A 90 90 GLN N N 90 118.133 115.613 2.520 1
1 819 . 18 1 1 A 91 91 LYS H H 91 8.016 6.886 1.130 1
1 820 . 18 1 1 A 91 91 LYS HA H 91 4.561 4.391 0.170 1
1 829 . 18 1 1 A 91 91 LYS CA C 91 54.567 54.161 0.406 1
1 830 . 18 1 1 A 91 91 LYS CB C 91 32.373 32.166 0.207 1
1 834 . 18 1 1 A 91 91 LYS N N 91 122.571 120.467 2.104 1
1 835 . 18 1 1 A 92 92 PRO HA H 92 4.372 4.392 -0.020 1
1 842 . 18 1 1 A 92 92 PRO C C 92 176.665 176.655 0.010 1
1 843 . 18 1 1 A 92 92 PRO CA C 92 63.251 63.548 -0.297 1
1 844 . 18 1 1 A 92 92 PRO CB C 92 32.073 32.354 -0.281 1
1 847 . 18 1 1 A 93 93 ALA H H 93 8.364 7.879 0.485 1
1 848 . 18 1 1 A 93 93 ALA HA H 93 4.245 3.977 0.268 1
1 852 . 18 1 1 A 93 93 ALA C C 93 177.504 175.815 1.689 1
1 853 . 18 1 1 A 93 93 ALA CA C 93 52.458 54.020 -1.562 1
1 854 . 18 1 1 A 93 93 ALA CB C 93 19.247 18.086 1.161 1
1 855 . 18 1 1 A 93 93 ALA N N 93 123.718 118.989 4.729 1
1 856 . 18 1 1 A 94 94 TYR H H 94 8.153 7.273 0.880 1
1 857 . 18 1 1 A 94 94 TYR HA H 94 4.626 4.766 -0.140 1
1 864 . 18 1 1 A 94 94 TYR C C 94 176.141 174.680 1.461 1
1 865 . 18 1 1 A 94 94 TYR CA C 94 57.859 56.111 1.748 1
1 866 . 18 1 1 A 94 94 TYR CB C 94 38.793 40.089 -1.296 1
1 871 . 18 1 1 A 94 94 TYR N N 94 119.293 113.195 6.098 1
1 872 . 18 1 1 A 95 95 THR H H 95 8.119 8.975 -0.856 1
1 873 . 18 1 1 A 95 95 THR HA H 95 4.286 4.324 -0.038 1
1 878 . 18 1 1 A 95 95 THR C C 95 174.813 175.126 -0.313 1
1 879 . 18 1 1 A 95 95 THR CA C 95 61.758 63.655 -1.897 1
1 880 . 18 1 1 A 95 95 THR CB C 95 69.860 70.891 -1.031 1
1 882 . 18 1 1 A 95 95 THR N N 95 115.890 115.147 0.743 1
1 883 . 18 1 1 A 96 96 GLY H H 96 7.669 8.330 -0.661 1
1 884 . 18 1 1 A 96 96 GLY HA2 H 96 3.875 4.034 -0.159 1
1 885 . 18 1 1 A 96 96 GLY HA3 H 96 3.822 4.144 -0.322 1
1 886 . 18 1 1 A 96 96 GLY C C 96 173.774 174.749 -0.975 1
1 887 . 18 1 1 A 96 96 GLY CA C 96 45.320 47.157 -1.837 1
1 888 . 18 1 1 A 96 96 GLY N N 96 110.133 110.011 0.122 1
1 889 . 18 1 1 A 97 97 TYR H H 97 8.028 8.079 -0.051 1
1 890 . 18 1 1 A 97 97 TYR HA H 97 4.510 4.428 0.082 1
1 897 . 18 1 1 A 97 97 TYR CA C 97 58.115 59.127 -1.012 1
1 898 . 18 1 1 A 97 97 TYR CB C 97 38.769 39.136 -0.367 1
1 903 . 18 1 1 A 97 97 TYR N N 97 119.945 118.862 1.083 1
1 904 . 18 1 1 A 98 98 ASN HA H 98 4.641 5.082 -0.441 1
1 909 . 18 1 1 A 98 98 ASN C C 98 174.882 174.628 0.254 1
1 910 . 18 1 1 A 98 98 ASN CA C 98 53.067 52.099 0.968 1
1 911 . 18 1 1 A 98 98 ASN CB C 98 38.835 39.736 -0.901 1
1 913 . 18 1 1 A 99 99 ARG H H 99 8.226 7.714 0.512 1
1 914 . 18 1 1 A 99 99 ARG HA H 99 4.259 4.339 -0.080 1
1 921 . 18 1 1 A 99 99 ARG C C 99 176.406 175.736 0.670 1
1 922 . 18 1 1 A 99 99 ARG CA C 99 56.464 56.429 0.035 1
1 923 . 18 1 1 A 99 99 ARG CB C 99 30.588 30.729 -0.141 1
1 926 . 18 1 1 A 99 99 ARG N N 99 121.620 118.322 3.298 1
1 927 . 18 1 1 A 100 100 ARG H H 100 8.398 8.654 -0.256 1
1 928 . 18 1 1 A 100 100 ARG N N 100 121.935 124.148 -2.213 1
1 929 . 18 1 1 A 101 101 GLY HA2 H 101 3.835 3.996 -0.161 1
1 930 . 18 1 1 A 101 101 GLY HA3 H 101 3.835 3.999 -0.164 1
1 931 . 18 1 1 A 101 101 GLY CA C 101 43.935 47.226 -3.291 1
1 932 . 18 1 1 A 102 102 SER HA H 102 4.460 4.543 -0.083 1
1 935 . 18 1 1 A 102 102 SER CA C 102 58.458 57.636 0.822 1
1 936 . 18 1 1 A 102 102 SER CB C 102 64.128 61.306 2.822 1
1 937 . 18 1 1 A 103 103 LYS H H 103 8.524 7.737 0.787 1
1 938 . 18 1 1 A 103 103 LYS HA H 103 4.305 4.775 -0.470 1
1 947 . 18 1 1 A 103 103 LYS CA C 103 56.788 54.803 1.985 1
1 948 . 18 1 1 A 103 103 LYS CB C 103 32.766 34.361 -1.595 1
1 952 . 18 1 1 A 103 103 LYS N N 103 123.092 122.387 0.705 1
1 953 . 18 1 1 A 104 104 ASP H H 104 8.316 8.946 -0.630 1
1 954 . 18 1 1 A 104 104 ASP HA H 104 4.612 4.747 -0.135 1
1 957 . 18 1 1 A 104 104 ASP C C 104 176.493 176.406 0.087 1
1 958 . 18 1 1 A 104 104 ASP CA C 104 54.704 54.050 0.654 1
1 959 . 18 1 1 A 104 104 ASP CB C 104 41.277 40.788 0.489 1
1 960 . 18 1 1 A 104 104 ASP N N 104 120.807 126.782 -5.975 1
1 961 . 18 1 1 A 105 105 SER H H 105 8.215 8.900 -0.685 1
1 962 . 18 1 1 A 105 105 SER HA H 105 4.390 4.755 -0.365 1
1 965 . 18 1 1 A 105 105 SER C C 105 174.659 173.767 0.892 1
1 966 . 18 1 1 A 105 105 SER CA C 105 58.889 57.287 1.602 1
1 967 . 18 1 1 A 105 105 SER CB C 105 63.781 63.674 0.107 1
1 968 . 18 1 1 A 105 105 SER N N 105 116.100 124.002 -7.902 1
1 969 . 18 1 1 A 106 106 GLN H H 106 8.396 7.244 1.152 1
1 970 . 18 1 1 A 106 106 GLN HA H 106 4.344 4.853 -0.509 1
1 977 . 18 1 1 A 106 106 GLN C C 106 175.746 175.285 0.461 1
1 978 . 18 1 1 A 106 106 GLN CA C 106 55.981 54.136 1.845 1
1 979 . 18 1 1 A 106 106 GLN CB C 106 29.351 31.789 -2.438 1
1 981 . 18 1 1 A 106 106 GLN N N 106 121.640 120.793 0.847 1
1 983 . 18 1 1 A 107 107 LEU H H 107 8.172 8.559 -0.387 1
1 984 . 18 1 1 A 107 107 LEU HA H 107 4.348 4.312 0.036 1
1 994 . 18 1 1 A 107 107 LEU C C 107 176.328 176.800 -0.472 1
1 995 . 18 1 1 A 107 107 LEU CA C 107 55.385 54.606 0.779 1
1 996 . 18 1 1 A 107 107 LEU CB C 107 42.163 41.200 0.963 1
1 1000 . 18 1 1 A 107 107 LEU N N 107 123.200 122.834 0.366 1
1 12 . 19 1 1 A 22 22 ALA H H 22 8.289 8.757 -0.468 1
1 13 . 19 1 1 A 22 22 ALA HA H 22 4.277 4.178 0.099 1
1 17 . 19 1 1 A 22 22 ALA C C 22 177.730 176.340 1.390 1
1 18 . 19 1 1 A 22 22 ALA CA C 22 52.742 51.793 0.949 1
1 19 . 19 1 1 A 22 22 ALA CB C 22 19.263 17.520 1.743 1
1 20 . 19 1 1 A 22 22 ALA N N 22 125.042 129.879 -4.837 1
1 21 . 19 1 1 A 23 23 SER H H 23 8.253 8.555 -0.302 1
1 22 . 19 1 1 A 23 23 SER HA H 23 4.374 4.949 -0.575 1
1 25 . 19 1 1 A 23 23 SER C C 23 175.066 174.122 0.944 1
1 26 . 19 1 1 A 23 23 SER CA C 23 58.670 57.769 0.901 1
1 27 . 19 1 1 A 23 23 SER CB C 23 63.822 66.349 -2.527 1
1 28 . 19 1 1 A 23 23 SER N N 23 114.713 117.734 -3.021 1
1 29 . 19 1 1 A 24 24 GLY H H 24 8.368 8.409 -0.041 1
1 30 . 19 1 1 A 24 24 GLY HA2 H 24 3.945 3.940 0.005 1
1 31 . 19 1 1 A 24 24 GLY HA3 H 24 3.886 3.972 -0.086 1
1 32 . 19 1 1 A 24 24 GLY C C 24 173.906 175.131 -1.225 1
1 33 . 19 1 1 A 24 24 GLY CA C 24 45.410 46.477 -1.067 1
1 34 . 19 1 1 A 24 24 GLY N N 24 110.595 114.094 -3.499 1
1 35 . 19 1 1 A 25 25 TRP H H 25 7.961 7.819 0.142 1
1 36 . 19 1 1 A 25 25 TRP HA H 25 4.632 4.909 -0.277 1
1 45 . 19 1 1 A 25 25 TRP C C 25 175.880 177.507 -1.627 1
1 46 . 19 1 1 A 25 25 TRP CA C 25 57.289 57.054 0.235 1
1 47 . 19 1 1 A 25 25 TRP CB C 25 29.725 31.068 -1.343 1
1 53 . 19 1 1 A 25 25 TRP N N 25 120.881 118.429 2.452 1
1 55 . 19 1 1 A 26 26 ALA H H 26 8.129 7.102 1.027 1
1 56 . 19 1 1 A 26 26 ALA HA H 26 4.222 4.221 0.001 1
1 60 . 19 1 1 A 26 26 ALA C C 26 176.977 176.476 0.501 1
1 61 . 19 1 1 A 26 26 ALA CA C 26 52.345 50.849 1.496 1
1 62 . 19 1 1 A 26 26 ALA CB C 26 19.414 19.712 -0.298 1
1 63 . 19 1 1 A 26 26 ALA N N 26 125.541 120.284 5.257 1
1 64 . 19 1 1 A 27 27 ASN H H 27 8.139 7.764 0.375 1
1 65 . 19 1 1 A 27 27 ASN HA H 27 4.581 5.053 -0.472 1
1 70 . 19 1 1 A 27 27 ASN C C 27 175.044 173.199 1.845 1
1 71 . 19 1 1 A 27 27 ASN CA C 27 53.260 52.516 0.744 1
1 72 . 19 1 1 A 27 27 ASN CB C 27 39.022 39.213 -0.191 1
1 73 . 19 1 1 A 27 27 ASN N N 27 117.794 115.710 2.084 1
1 75 . 19 1 1 A 28 28 ASP H H 28 8.286 8.307 -0.021 1
1 76 . 19 1 1 A 28 28 ASP HA H 28 4.581 4.927 -0.346 1
1 79 . 19 1 1 A 28 28 ASP C C 28 176.163 174.722 1.441 1
1 80 . 19 1 1 A 28 28 ASP CA C 28 54.629 53.086 1.543 1
1 81 . 19 1 1 A 28 28 ASP CB C 28 41.129 44.265 -3.136 1
1 82 . 19 1 1 A 28 28 ASP N N 28 120.788 123.456 -2.668 1
1 83 . 19 1 1 A 29 29 ASP H H 29 8.287 8.850 -0.563 1
1 84 . 19 1 1 A 29 29 ASP HA H 29 4.546 4.319 0.227 1
1 87 . 19 1 1 A 29 29 ASP C C 29 176.359 177.340 -0.981 1
1 88 . 19 1 1 A 29 29 ASP CA C 29 54.883 57.334 -2.451 1
1 89 . 19 1 1 A 29 29 ASP CB C 29 41.050 40.429 0.621 1
1 90 . 19 1 1 A 29 29 ASP N N 29 120.641 122.576 -1.935 1
1 91 . 19 1 1 A 30 30 ALA H H 30 8.141 7.461 0.680 1
1 92 . 19 1 1 A 30 30 ALA HA H 30 4.278 4.285 -0.007 1
1 96 . 19 1 1 A 30 30 ALA C C 30 178.218 176.558 1.660 1
1 97 . 19 1 1 A 30 30 ALA CA C 30 53.006 52.459 0.547 1
1 98 . 19 1 1 A 30 30 ALA CB C 30 19.115 17.916 1.199 1
1 99 . 19 1 1 A 30 30 ALA N N 30 123.561 120.172 3.389 1
1 100 . 19 1 1 A 31 31 VAL H H 31 7.996 7.326 0.670 1
1 101 . 19 1 1 A 31 31 VAL HA H 31 4.010 4.087 -0.077 1
1 109 . 19 1 1 A 31 31 VAL C C 31 175.417 177.906 -2.489 1
1 110 . 19 1 1 A 31 31 VAL CA C 31 62.896 64.059 -1.163 1
1 111 . 19 1 1 A 31 31 VAL CB C 31 32.567 32.803 -0.236 1
1 114 . 19 1 1 A 31 31 VAL N N 31 118.676 117.044 1.632 1
1 115 . 19 1 1 A 32 32 ASN H H 32 8.364 8.101 0.263 1
1 116 . 19 1 1 A 32 32 ASN HA H 32 4.694 4.358 0.336 1
1 121 . 19 1 1 A 32 32 ASN C C 32 174.659 177.514 -2.855 1
1 122 . 19 1 1 A 32 32 ASN CA C 32 53.547 55.567 -2.020 1
1 123 . 19 1 1 A 32 32 ASN CB C 32 38.939 37.183 1.756 1
1 124 . 19 1 1 A 32 32 ASN N N 32 121.518 118.535 2.983 1
1 126 . 19 1 1 A 33 33 GLU H H 33 8.380 8.920 -0.540 1
1 127 . 19 1 1 A 33 33 GLU HA H 33 4.240 4.143 0.097 1
1 132 . 19 1 1 A 33 33 GLU C C 33 176.641 178.259 -1.618 1
1 133 . 19 1 1 A 33 33 GLU CA C 33 57.074 58.260 -1.186 1
1 134 . 19 1 1 A 33 33 GLU CB C 33 30.212 27.611 2.601 1
1 136 . 19 1 1 A 33 33 GLU N N 33 121.497 118.885 2.612 1
1 137 . 19 1 1 A 34 34 GLN H H 34 8.333 7.629 0.704 1
1 138 . 19 1 1 A 34 34 GLN HA H 34 4.315 4.175 0.140 1
1 145 . 19 1 1 A 34 34 GLN C C 34 176.325 178.655 -2.330 1
1 146 . 19 1 1 A 34 34 GLN CA C 34 56.232 58.227 -1.995 1
1 147 . 19 1 1 A 34 34 GLN CB C 34 29.304 28.756 0.548 1
1 149 . 19 1 1 A 34 34 GLN N N 34 120.891 117.895 2.996 1
1 151 . 19 1 1 A 35 35 ILE H H 35 8.155 7.575 0.580 1
1 152 . 19 1 1 A 35 35 ILE HA H 35 4.116 4.138 -0.022 1
1 162 . 19 1 1 A 35 35 ILE C C 35 176.203 176.199 0.004 1
1 163 . 19 1 1 A 35 35 ILE CA C 35 61.645 64.373 -2.728 1
1 164 . 19 1 1 A 35 35 ILE CB C 35 38.640 38.045 0.595 1
1 168 . 19 1 1 A 35 35 ILE N N 35 121.784 117.677 4.107 1
1 169 . 19 1 1 A 36 36 ASN H H 36 8.504 7.546 0.958 1
1 170 . 19 1 1 A 36 36 ASN HA H 36 4.760 4.627 0.133 1
1 175 . 19 1 1 A 36 36 ASN C C 36 175.468 175.221 0.247 1
1 176 . 19 1 1 A 36 36 ASN CA C 36 53.504 53.462 0.042 1
1 177 . 19 1 1 A 36 36 ASN CB C 36 38.947 38.630 0.317 1
1 178 . 19 1 1 A 36 36 ASN N N 36 122.204 120.287 1.917 1
1 180 . 19 1 1 A 37 37 SER H H 37 8.380 8.977 -0.597 1
1 181 . 19 1 1 A 37 37 SER HA H 37 4.505 4.485 0.020 1
1 184 . 19 1 1 A 37 37 SER C C 37 174.990 175.564 -0.574 1
1 185 . 19 1 1 A 37 37 SER CA C 37 58.963 58.831 0.132 1
1 186 . 19 1 1 A 37 37 SER CB C 37 63.760 63.750 0.010 1
1 187 . 19 1 1 A 37 37 SER N N 37 116.788 117.179 -0.391 1
1 188 . 19 1 1 A 38 38 THR H H 38 8.302 7.595 0.707 1
1 189 . 19 1 1 A 38 38 THR HA H 38 4.369 3.989 0.380 1
1 194 . 19 1 1 A 38 38 THR C C 38 175.437 176.831 -1.394 1
1 195 . 19 1 1 A 38 38 THR CA C 38 62.751 66.725 -3.974 1
1 196 . 19 1 1 A 38 38 THR CB C 38 69.838 68.016 1.822 1
1 198 . 19 1 1 A 38 38 THR N N 38 116.285 116.082 0.203 1
1 199 . 19 1 1 A 39 39 ILE H H 39 8.153 7.636 0.517 1
1 200 . 19 1 1 A 39 39 ILE HA H 39 4.080 3.572 0.508 1
1 210 . 19 1 1 A 39 39 ILE C C 39 176.850 177.951 -1.101 1
1 211 . 19 1 1 A 39 39 ILE CA C 39 62.295 65.681 -3.386 1
1 212 . 19 1 1 A 39 39 ILE CB C 39 38.373 37.908 0.465 1
1 216 . 19 1 1 A 39 39 ILE N N 39 123.148 121.358 1.790 1
1 217 . 19 1 1 A 40 40 GLU H H 40 8.438 8.359 0.079 1
1 218 . 19 1 1 A 40 40 GLU HA H 40 4.146 4.022 0.124 1
1 223 . 19 1 1 A 40 40 GLU C C 40 177.573 178.434 -0.861 1
1 224 . 19 1 1 A 40 40 GLU CA C 40 58.026 59.469 -1.443 1
1 225 . 19 1 1 A 40 40 GLU CB C 40 29.870 29.171 0.699 1
1 227 . 19 1 1 A 40 40 GLU N N 40 123.184 119.969 3.215 1
1 228 . 19 1 1 A 41 41 ASP H H 41 8.295 7.895 0.400 1
1 229 . 19 1 1 A 41 41 ASP HA H 41 4.512 4.362 0.150 1
1 232 . 19 1 1 A 41 41 ASP C C 41 176.856 178.144 -1.288 1
1 233 . 19 1 1 A 41 41 ASP CA C 41 55.563 57.633 -2.070 1
1 234 . 19 1 1 A 41 41 ASP CB C 41 41.080 41.265 -0.185 1
1 235 . 19 1 1 A 41 41 ASP N N 41 121.311 120.502 0.809 1
1 236 . 19 1 1 A 42 42 ALA H H 42 8.098 7.981 0.117 1
1 237 . 19 1 1 A 42 42 ALA HA H 42 4.153 4.091 0.062 1
1 241 . 19 1 1 A 42 42 ALA C C 42 179.658 180.260 -0.602 1
1 242 . 19 1 1 A 42 42 ALA CA C 42 54.315 55.015 -0.700 1
1 243 . 19 1 1 A 42 42 ALA CB C 42 18.765 18.431 0.334 1
1 244 . 19 1 1 A 42 42 ALA N N 42 123.411 121.271 2.140 1
1 245 . 19 1 1 A 43 43 ILE H H 43 8.047 7.256 0.791 1
1 246 . 19 1 1 A 43 43 ILE HA H 43 3.904 3.800 0.104 1
1 256 . 19 1 1 A 43 43 ILE C C 43 176.603 177.937 -1.334 1
1 257 . 19 1 1 A 43 43 ILE CA C 43 63.028 63.974 -0.946 1
1 258 . 19 1 1 A 43 43 ILE CB C 43 38.140 36.778 1.362 1
1 262 . 19 1 1 A 43 43 ILE N N 43 119.853 118.718 1.135 1
1 263 . 19 1 1 A 44 44 ALA H H 44 8.072 7.852 0.220 1
1 264 . 19 1 1 A 44 44 ALA HA H 44 4.162 4.065 0.097 1
1 268 . 19 1 1 A 44 44 ALA C C 44 179.414 179.424 -0.010 1
1 269 . 19 1 1 A 44 44 ALA CA C 44 54.011 55.066 -1.055 1
1 270 . 19 1 1 A 44 44 ALA CB C 44 18.614 18.125 0.489 1
1 271 . 19 1 1 A 44 44 ALA N N 44 124.814 123.873 0.941 1
1 272 . 19 1 1 A 45 45 ARG H H 45 8.177 8.084 0.093 1
1 273 . 19 1 1 A 45 45 ARG HA H 45 4.187 4.168 0.019 1
1 280 . 19 1 1 A 45 45 ARG C C 45 177.629 178.463 -0.834 1
1 281 . 19 1 1 A 45 45 ARG CA C 45 57.569 57.486 0.083 1
1 282 . 19 1 1 A 45 45 ARG CB C 45 30.600 29.837 0.763 1
1 285 . 19 1 1 A 45 45 ARG N N 45 118.718 116.640 2.078 1
1 286 . 19 1 1 A 46 46 ALA H H 46 8.004 7.673 0.331 1
1 287 . 19 1 1 A 46 46 ALA HA H 46 4.274 4.256 0.018 1
1 291 . 19 1 1 A 46 46 ALA C C 46 178.519 178.269 0.250 1
1 292 . 19 1 1 A 46 46 ALA CA C 46 53.339 54.532 -1.193 1
1 293 . 19 1 1 A 46 46 ALA CB C 46 18.827 19.627 -0.800 1
1 294 . 19 1 1 A 46 46 ALA N N 46 123.416 122.366 1.050 1
1 295 . 19 1 1 A 47 47 ARG H H 47 8.082 7.773 0.309 1
1 296 . 19 1 1 A 47 47 ARG HA H 47 4.285 4.480 -0.195 1
1 303 . 19 1 1 A 47 47 ARG C C 47 177.103 176.411 0.692 1
1 304 . 19 1 1 A 47 47 ARG CA C 47 56.871 55.074 1.797 1
1 305 . 19 1 1 A 47 47 ARG CB C 47 30.655 31.978 -1.323 1
1 308 . 19 1 1 A 47 47 ARG N N 47 118.672 113.816 4.856 1
1 309 . 19 1 1 A 48 48 GLY H H 48 8.160 7.486 0.674 1
1 310 . 19 1 1 A 48 48 GLY HA2 H 48 3.976 4.076 -0.100 1
1 311 . 19 1 1 A 48 48 GLY HA3 H 48 3.976 4.076 -0.100 1
1 312 . 19 1 1 A 48 48 GLY C C 48 174.015 174.313 -0.298 1
1 313 . 19 1 1 A 48 48 GLY CA C 48 45.337 45.168 0.169 1
1 314 . 19 1 1 A 48 48 GLY N N 48 108.533 109.520 -0.987 1
1 315 . 19 1 1 A 49 49 GLU H H 49 8.113 8.305 -0.192 1
1 316 . 19 1 1 A 49 49 GLU HA H 49 4.317 4.512 -0.195 1
1 321 . 19 1 1 A 49 49 GLU C C 49 176.216 176.300 -0.084 1
1 322 . 19 1 1 A 49 49 GLU CA C 49 56.125 57.712 -1.587 1
1 323 . 19 1 1 A 49 49 GLU CB C 49 30.497 32.112 -1.615 1
1 325 . 19 1 1 A 49 49 GLU N N 49 120.272 123.368 -3.096 1
1 326 . 19 1 1 A 50 50 ILE H H 50 8.203 7.641 0.562 1
1 327 . 19 1 1 A 50 50 ILE HA H 50 4.419 4.222 0.197 1
1 337 . 19 1 1 A 50 50 ILE CA C 50 58.687 59.898 -1.211 1
1 338 . 19 1 1 A 50 50 ILE CB C 50 38.623 38.310 0.313 1
1 342 . 19 1 1 A 50 50 ILE N N 50 123.785 120.852 2.933 1
1 343 . 19 1 1 A 51 51 PRO HA H 51 4.414 4.680 -0.266 1
1 350 . 19 1 1 A 51 51 PRO C C 51 176.785 176.138 0.647 1
1 351 . 19 1 1 A 51 51 PRO CA C 51 63.188 62.321 0.867 1
1 352 . 19 1 1 A 51 51 PRO CB C 51 32.210 32.888 -0.678 1
1 355 . 19 1 1 A 52 52 ARG H H 52 8.545 8.832 -0.287 1
1 356 . 19 1 1 A 52 52 ARG HA H 52 4.300 4.391 -0.091 1
1 363 . 19 1 1 A 52 52 ARG C C 52 176.985 176.408 0.577 1
1 364 . 19 1 1 A 52 52 ARG CA C 52 56.493 55.314 1.179 1
1 365 . 19 1 1 A 52 52 ARG CB C 52 30.944 28.428 2.516 1
1 368 . 19 1 1 A 52 52 ARG N N 52 122.009 121.024 0.985 1
1 369 . 19 1 1 A 53 53 GLY H H 53 8.504 8.404 0.100 1
1 370 . 19 1 1 A 53 53 GLY HA2 H 53 3.995 3.984 0.011 1
1 371 . 19 1 1 A 53 53 GLY HA3 H 53 3.934 3.985 -0.051 1
1 372 . 19 1 1 A 53 53 GLY C C 53 173.562 173.987 -0.425 1
1 373 . 19 1 1 A 53 53 GLY CA C 53 44.990 46.214 -1.224 1
1 374 . 19 1 1 A 53 53 GLY N N 53 110.270 110.516 -0.246 1
1 375 . 19 1 1 A 54 54 GLU H H 54 8.216 7.923 0.293 1
1 376 . 19 1 1 A 54 54 GLU HA H 54 4.364 4.728 -0.364 1
1 381 . 19 1 1 A 54 54 GLU C C 54 177.145 175.806 1.339 1
1 382 . 19 1 1 A 54 54 GLU CA C 54 55.883 54.910 0.973 1
1 383 . 19 1 1 A 54 54 GLU CB C 54 30.696 31.127 -0.431 1
1 385 . 19 1 1 A 54 54 GLU N N 54 119.939 119.826 0.113 1
1 386 . 19 1 1 A 55 55 SER H H 55 8.916 8.550 0.366 1
1 387 . 19 1 1 A 55 55 SER HA H 55 4.544 4.552 -0.008 1
1 390 . 19 1 1 A 55 55 SER C C 55 174.434 175.806 -1.372 1
1 391 . 19 1 1 A 55 55 SER CA C 55 58.592 58.489 0.103 1
1 392 . 19 1 1 A 55 55 SER CB C 55 63.662 63.625 0.037 1
1 393 . 19 1 1 A 55 55 SER N N 55 118.742 115.239 3.503 1
1 394 . 19 1 1 A 56 56 LEU H H 56 8.598 7.950 0.648 1
1 395 . 19 1 1 A 56 56 LEU HA H 56 4.343 4.196 0.147 1
1 405 . 19 1 1 A 56 56 LEU C C 56 176.024 177.561 -1.537 1
1 406 . 19 1 1 A 56 56 LEU CA C 56 54.782 56.442 -1.660 1
1 407 . 19 1 1 A 56 56 LEU CB C 56 42.106 43.061 -0.955 1
1 411 . 19 1 1 A 56 56 LEU N N 56 125.386 123.195 2.191 1
1 412 . 19 1 1 A 57 57 ASP H H 57 8.211 8.282 -0.071 1
1 413 . 19 1 1 A 57 57 ASP HA H 57 4.545 4.230 0.315 1
1 416 . 19 1 1 A 57 57 ASP C C 57 176.869 174.527 2.342 1
1 417 . 19 1 1 A 57 57 ASP CA C 57 54.978 55.628 -0.650 1
1 418 . 19 1 1 A 57 57 ASP CB C 57 41.477 40.514 0.963 1
1 419 . 19 1 1 A 57 57 ASP N N 57 115.979 119.608 -3.629 1
1 420 . 19 1 1 A 58 58 GLU H H 58 7.469 7.829 -0.360 1
1 421 . 19 1 1 A 58 58 GLU HA H 58 4.717 4.635 0.082 1
1 426 . 19 1 1 A 58 58 GLU C C 58 174.081 175.232 -1.151 1
1 427 . 19 1 1 A 58 58 GLU CA C 58 54.280 55.050 -0.770 1
1 428 . 19 1 1 A 58 58 GLU CB C 58 32.995 31.488 1.507 1
1 430 . 19 1 1 A 58 58 GLU N N 58 118.912 119.041 -0.129 1
1 431 . 19 1 1 A 59 59 CYS H H 59 9.364 8.643 0.721 1
1 432 . 19 1 1 A 59 59 CYS HA H 59 4.248 4.333 -0.085 1
1 435 . 19 1 1 A 59 59 CYS C C 59 178.266 176.251 2.015 1
1 436 . 19 1 1 A 59 59 CYS CA C 59 59.782 60.166 -0.384 1
1 437 . 19 1 1 A 59 59 CYS CB C 59 31.041 28.765 2.276 1
1 438 . 19 1 1 A 59 59 CYS N N 59 124.760 125.279 -0.519 1
1 439 . 19 1 1 A 60 60 GLU H H 60 9.202 9.033 0.169 1
1 440 . 19 1 1 A 60 60 GLU HA H 60 4.202 4.059 0.143 1
1 445 . 19 1 1 A 60 60 GLU C C 60 175.834 178.509 -2.675 1
1 446 . 19 1 1 A 60 60 GLU CA C 60 58.503 58.766 -0.263 1
1 447 . 19 1 1 A 60 60 GLU CB C 60 30.041 29.036 1.005 1
1 449 . 19 1 1 A 60 60 GLU N N 60 130.690 126.911 3.779 1
1 450 . 19 1 1 A 61 61 GLU H H 61 8.751 7.613 1.138 1
1 451 . 19 1 1 A 61 61 GLU HA H 61 4.542 4.254 0.288 1
1 456 . 19 1 1 A 61 61 GLU C C 61 177.312 178.390 -1.078 1
1 457 . 19 1 1 A 61 61 GLU CA C 61 58.094 58.575 -0.481 1
1 458 . 19 1 1 A 61 61 GLU CB C 61 31.037 30.445 0.592 1
1 460 . 19 1 1 A 61 61 GLU N N 61 120.904 118.920 1.984 1
1 461 . 19 1 1 A 62 62 CYS H H 62 8.401 7.308 1.093 1
1 462 . 19 1 1 A 62 62 CYS HA H 62 5.014 4.621 0.393 1
1 465 . 19 1 1 A 62 62 CYS C C 62 177.324 175.585 1.739 1
1 466 . 19 1 1 A 62 62 CYS CA C 62 59.127 58.524 0.603 1
1 467 . 19 1 1 A 62 62 CYS CB C 62 33.355 29.278 4.077 1
1 468 . 19 1 1 A 62 62 CYS N N 62 117.947 114.149 3.798 1
1 469 . 19 1 1 A 63 63 GLY H H 63 8.048 7.940 0.108 1
1 470 . 19 1 1 A 63 63 GLY HA2 H 63 4.234 3.924 0.310 1
1 471 . 19 1 1 A 63 63 GLY HA3 H 63 3.820 3.927 -0.107 1
1 472 . 19 1 1 A 63 63 GLY C C 63 172.914 174.955 -2.041 1
1 473 . 19 1 1 A 63 63 GLY CA C 63 46.163 46.690 -0.527 1
1 474 . 19 1 1 A 63 63 GLY N N 63 113.407 111.429 1.978 1
1 475 . 19 1 1 A 64 64 ALA H H 64 9.148 8.016 1.132 1
1 476 . 19 1 1 A 64 64 ALA HA H 64 4.536 4.449 0.087 1
1 480 . 19 1 1 A 64 64 ALA CA C 64 51.510 50.679 0.831 1
1 481 . 19 1 1 A 64 64 ALA CB C 64 19.099 19.131 -0.032 1
1 482 . 19 1 1 A 64 64 ALA N N 64 127.297 123.465 3.832 1
1 483 . 19 1 1 A 65 65 PRO HA H 65 4.583 4.448 0.135 1
1 490 . 19 1 1 A 65 65 PRO C C 65 177.423 176.726 0.697 1
1 491 . 19 1 1 A 65 65 PRO CA C 65 63.020 63.170 -0.150 1
1 492 . 19 1 1 A 65 65 PRO CB C 65 31.832 31.617 0.215 1
1 495 . 19 1 1 A 66 66 ILE H H 66 8.053 8.153 -0.100 1
1 496 . 19 1 1 A 66 66 ILE HA H 66 4.330 4.290 0.040 1
1 506 . 19 1 1 A 66 66 ILE CA C 66 58.847 59.644 -0.797 1
1 507 . 19 1 1 A 66 66 ILE CB C 66 38.162 38.087 0.075 1
1 511 . 19 1 1 A 66 66 ILE N N 66 125.090 123.992 1.098 1
1 512 . 19 1 1 A 67 67 PRO HA H 67 4.447 4.613 -0.166 1
1 519 . 19 1 1 A 67 67 PRO C C 67 177.325 177.818 -0.493 1
1 520 . 19 1 1 A 67 67 PRO CA C 67 62.883 62.642 0.241 1
1 521 . 19 1 1 A 67 67 PRO CB C 67 32.692 32.759 -0.067 1
1 524 . 19 1 1 A 68 68 GLN H H 68 8.982 8.602 0.380 1
1 525 . 19 1 1 A 68 68 GLN HA H 68 3.791 3.995 -0.204 1
1 532 . 19 1 1 A 68 68 GLN C C 68 177.316 178.158 -0.842 1
1 533 . 19 1 1 A 68 68 GLN CA C 68 59.491 58.406 1.085 1
1 534 . 19 1 1 A 68 68 GLN CB C 68 27.882 28.081 -0.199 1
1 536 . 19 1 1 A 68 68 GLN N N 68 124.876 122.101 2.775 1
1 538 . 19 1 1 A 69 69 ALA H H 69 8.892 8.211 0.681 1
1 539 . 19 1 1 A 69 69 ALA HA H 69 4.100 4.006 0.094 1
1 543 . 19 1 1 A 69 69 ALA C C 69 180.347 179.675 0.672 1
1 544 . 19 1 1 A 69 69 ALA CA C 69 55.209 55.302 -0.093 1
1 545 . 19 1 1 A 69 69 ALA CB C 69 18.097 18.143 -0.046 1
1 546 . 19 1 1 A 69 69 ALA N N 69 118.268 122.902 -4.634 1
1 547 . 19 1 1 A 70 70 ARG H H 70 7.020 7.692 -0.672 1
1 548 . 19 1 1 A 70 70 ARG HA H 70 4.234 4.081 0.153 1
1 555 . 19 1 1 A 70 70 ARG C C 70 176.438 178.685 -2.247 1
1 556 . 19 1 1 A 70 70 ARG CA C 70 58.791 59.163 -0.372 1
1 557 . 19 1 1 A 70 70 ARG CB C 70 29.544 29.771 -0.227 1
1 560 . 19 1 1 A 70 70 ARG N N 70 119.170 117.739 1.431 1
1 561 . 19 1 1 A 71 71 ARG H H 71 7.754 7.730 0.024 1
1 562 . 19 1 1 A 71 71 ARG HA H 71 3.807 4.125 -0.318 1
1 569 . 19 1 1 A 71 71 ARG C C 71 179.191 178.490 0.701 1
1 570 . 19 1 1 A 71 71 ARG CA C 71 59.782 59.486 0.296 1
1 571 . 19 1 1 A 71 71 ARG CB C 71 30.564 29.765 0.799 1
1 574 . 19 1 1 A 71 71 ARG N N 71 116.460 119.281 -2.821 1
1 575 . 19 1 1 A 72 72 GLU H H 72 8.062 8.003 0.059 1
1 576 . 19 1 1 A 72 72 GLU HA H 72 4.014 4.111 -0.097 1
1 581 . 19 1 1 A 72 72 GLU C C 72 177.357 178.815 -1.458 1
1 582 . 19 1 1 A 72 72 GLU CA C 72 57.860 59.270 -1.410 1
1 583 . 19 1 1 A 72 72 GLU CB C 72 29.978 29.531 0.447 1
1 585 . 19 1 1 A 72 72 GLU N N 72 114.904 118.615 -3.711 1
1 586 . 19 1 1 A 73 73 ALA H H 73 7.686 7.632 0.054 1
1 587 . 19 1 1 A 73 73 ALA HA H 73 4.199 4.177 0.022 1
1 591 . 19 1 1 A 73 73 ALA C C 73 178.246 177.609 0.637 1
1 592 . 19 1 1 A 73 73 ALA CA C 73 54.110 54.647 -0.537 1
1 593 . 19 1 1 A 73 73 ALA CB C 73 19.546 19.185 0.361 1
1 594 . 19 1 1 A 73 73 ALA N N 73 120.673 121.377 -0.704 1
1 595 . 19 1 1 A 74 74 ILE H H 74 7.609 7.900 -0.291 1
1 596 . 19 1 1 A 74 74 ILE HA H 74 4.318 4.476 -0.158 1
1 606 . 19 1 1 A 74 74 ILE CA C 74 57.722 57.924 -0.202 1
1 607 . 19 1 1 A 74 74 ILE CB C 74 38.313 39.135 -0.822 1
1 611 . 19 1 1 A 74 74 ILE N N 74 117.475 118.299 -0.824 1
1 612 . 19 1 1 A 75 75 PRO HA H 75 4.267 4.311 -0.044 1
1 619 . 19 1 1 A 75 75 PRO C C 75 179.050 177.805 1.245 1
1 620 . 19 1 1 A 75 75 PRO CA C 75 63.966 63.931 0.035 1
1 621 . 19 1 1 A 75 75 PRO CB C 75 31.409 31.379 0.030 1
1 624 . 19 1 1 A 76 76 GLY H H 76 8.594 8.795 -0.201 1
1 625 . 19 1 1 A 76 76 GLY HA2 H 76 4.081 3.923 0.158 1
1 626 . 19 1 1 A 76 76 GLY HA3 H 76 3.402 3.925 -0.523 1
1 627 . 19 1 1 A 76 76 GLY C C 76 174.447 174.709 -0.262 1
1 628 . 19 1 1 A 76 76 GLY CA C 76 45.138 46.161 -1.023 1
1 629 . 19 1 1 A 76 76 GLY N N 76 113.042 112.780 0.262 1
1 630 . 19 1 1 A 77 77 VAL H H 77 8.185 7.570 0.615 1
1 631 . 19 1 1 A 77 77 VAL HA H 77 3.955 4.093 -0.138 1
1 639 . 19 1 1 A 77 77 VAL C C 77 173.122 175.669 -2.547 1
1 640 . 19 1 1 A 77 77 VAL CA C 77 63.160 62.348 0.812 1
1 641 . 19 1 1 A 77 77 VAL CB C 77 30.748 32.609 -1.861 1
1 644 . 19 1 1 A 77 77 VAL N N 77 124.214 119.995 4.219 1
1 645 . 19 1 1 A 78 78 ARG H H 78 8.635 8.742 -0.107 1
1 646 . 19 1 1 A 78 78 ARG HA H 78 4.547 4.685 -0.138 1
1 653 . 19 1 1 A 78 78 ARG C C 78 173.948 175.674 -1.726 1
1 654 . 19 1 1 A 78 78 ARG CA C 78 55.410 55.543 -0.133 1
1 655 . 19 1 1 A 78 78 ARG CB C 78 33.618 31.666 1.952 1
1 658 . 19 1 1 A 78 78 ARG N N 78 121.505 124.361 -2.856 1
1 659 . 19 1 1 A 79 79 LEU H H 79 7.037 7.647 -0.610 1
1 660 . 19 1 1 A 79 79 LEU HA H 79 6.078 4.820 1.258 1
1 670 . 19 1 1 A 79 79 LEU C C 79 178.615 176.244 2.371 1
1 671 . 19 1 1 A 79 79 LEU CA C 79 52.286 53.071 -0.785 1
1 672 . 19 1 1 A 79 79 LEU CB C 79 46.763 44.178 2.585 1
1 676 . 19 1 1 A 79 79 LEU N N 79 116.511 121.215 -4.704 1
1 677 . 19 1 1 A 80 80 CYS H H 80 9.639 8.889 0.750 1
1 678 . 19 1 1 A 80 80 CYS HA H 80 4.595 4.579 0.016 1
1 681 . 19 1 1 A 80 80 CYS C C 80 174.898 175.431 -0.533 1
1 682 . 19 1 1 A 80 80 CYS CA C 80 57.983 58.750 -0.767 1
1 683 . 19 1 1 A 80 80 CYS CB C 80 31.306 29.149 2.157 1
1 684 . 19 1 1 A 80 80 CYS N N 80 121.517 124.182 -2.665 1
1 685 . 19 1 1 A 81 81 ILE H H 81 9.215 8.595 0.620 1
1 686 . 19 1 1 A 81 81 ILE HA H 81 3.836 3.870 -0.034 1
1 696 . 19 1 1 A 81 81 ILE C C 81 176.081 177.353 -1.272 1
1 697 . 19 1 1 A 81 81 ILE CA C 81 63.715 64.065 -0.350 1
1 698 . 19 1 1 A 81 81 ILE CB C 81 38.309 37.854 0.455 1
1 702 . 19 1 1 A 81 81 ILE N N 81 119.426 123.321 -3.895 1
1 703 . 19 1 1 A 82 82 HIS H H 82 7.439 7.768 -0.329 1
1 704 . 19 1 1 A 82 82 HIS HA H 82 4.354 4.368 -0.014 1
1 709 . 19 1 1 A 82 82 HIS C C 82 178.603 178.161 0.442 1
1 710 . 19 1 1 A 82 82 HIS CA C 82 59.802 59.237 0.565 1
1 711 . 19 1 1 A 82 82 HIS CB C 82 30.164 30.435 -0.271 1
1 714 . 19 1 1 A 82 82 HIS N N 82 122.605 118.953 3.652 1
1 715 . 19 1 1 A 83 83 CYS H H 83 8.960 8.165 0.795 1
1 716 . 19 1 1 A 83 83 CYS HA H 83 3.995 4.319 -0.324 1
1 719 . 19 1 1 A 83 83 CYS C C 83 178.676 177.183 1.493 1
1 720 . 19 1 1 A 83 83 CYS CA C 83 64.648 61.525 3.123 1
1 721 . 19 1 1 A 83 83 CYS CB C 83 29.618 26.497 3.121 1
1 722 . 19 1 1 A 83 83 CYS N N 83 124.742 118.034 6.708 1
1 723 . 19 1 1 A 84 84 GLN H H 84 8.525 8.072 0.453 1
1 724 . 19 1 1 A 84 84 GLN HA H 84 3.812 4.067 -0.255 1
1 731 . 19 1 1 A 84 84 GLN C C 84 177.478 178.237 -0.759 1
1 732 . 19 1 1 A 84 84 GLN CA C 84 58.750 58.962 -0.212 1
1 733 . 19 1 1 A 84 84 GLN CB C 84 28.372 28.768 -0.396 1
1 735 . 19 1 1 A 84 84 GLN N N 84 120.642 121.274 -0.632 1
1 737 . 19 1 1 A 85 85 GLN H H 85 8.100 8.224 -0.124 1
1 738 . 19 1 1 A 85 85 GLN HA H 85 4.117 3.995 0.122 1
1 745 . 19 1 1 A 85 85 GLN C C 85 178.483 177.944 0.539 1
1 746 . 19 1 1 A 85 85 GLN CA C 85 58.857 58.640 0.217 1
1 747 . 19 1 1 A 85 85 GLN CB C 85 28.261 28.358 -0.097 1
1 749 . 19 1 1 A 85 85 GLN N N 85 118.154 117.694 0.460 1
1 751 . 19 1 1 A 86 86 GLU H H 86 7.657 7.866 -0.209 1
1 752 . 19 1 1 A 86 86 GLU HA H 86 4.049 4.069 -0.020 1
1 757 . 19 1 1 A 86 86 GLU C C 86 178.798 178.493 0.305 1
1 758 . 19 1 1 A 86 86 GLU CA C 86 58.852 59.424 -0.572 1
1 759 . 19 1 1 A 86 86 GLU CB C 86 29.716 29.160 0.556 1
1 761 . 19 1 1 A 86 86 GLU N N 86 118.055 119.165 -1.110 1
1 762 . 19 1 1 A 87 87 LYS H H 87 7.799 7.990 -0.191 1
1 763 . 19 1 1 A 87 87 LYS HA H 87 4.056 4.132 -0.076 1
1 772 . 19 1 1 A 87 87 LYS C C 87 179.025 179.542 -0.517 1
1 773 . 19 1 1 A 87 87 LYS CA C 87 58.452 58.855 -0.403 1
1 774 . 19 1 1 A 87 87 LYS CB C 87 32.067 32.038 0.029 1
1 778 . 19 1 1 A 87 87 LYS N N 87 119.741 119.440 0.301 1
1 779 . 19 1 1 A 88 88 ASP H H 88 8.300 8.136 0.164 1
1 780 . 19 1 1 A 88 88 ASP HA H 88 4.461 4.426 0.035 1
1 783 . 19 1 1 A 88 88 ASP C C 88 177.597 177.654 -0.057 1
1 784 . 19 1 1 A 88 88 ASP CA C 88 56.228 56.512 -0.284 1
1 785 . 19 1 1 A 88 88 ASP CB C 88 40.500 41.410 -0.910 1
1 786 . 19 1 1 A 88 88 ASP N N 88 119.700 119.789 -0.089 1
1 787 . 19 1 1 A 89 89 LEU H H 89 7.672 7.507 0.165 1
1 788 . 19 1 1 A 89 89 LEU HA H 89 4.227 4.163 0.064 1
1 798 . 19 1 1 A 89 89 LEU C C 89 177.757 178.686 -0.929 1
1 799 . 19 1 1 A 89 89 LEU CA C 89 55.938 56.073 -0.135 1
1 800 . 19 1 1 A 89 89 LEU CB C 89 42.267 41.949 0.318 1
1 804 . 19 1 1 A 89 89 LEU N N 89 119.729 117.678 2.051 1
1 805 . 19 1 1 A 90 90 GLN H H 90 7.823 7.383 0.440 1
1 806 . 19 1 1 A 90 90 GLN HA H 90 4.264 4.302 -0.038 1
1 813 . 19 1 1 A 90 90 GLN C C 90 175.896 176.010 -0.114 1
1 814 . 19 1 1 A 90 90 GLN CA C 90 55.828 56.569 -0.741 1
1 815 . 19 1 1 A 90 90 GLN CB C 90 28.871 29.137 -0.266 1
1 817 . 19 1 1 A 90 90 GLN N N 90 118.133 115.915 2.218 1
1 819 . 19 1 1 A 91 91 LYS H H 91 8.016 7.457 0.559 1
1 820 . 19 1 1 A 91 91 LYS HA H 91 4.561 4.431 0.130 1
1 829 . 19 1 1 A 91 91 LYS CA C 91 54.567 53.244 1.323 1
1 830 . 19 1 1 A 91 91 LYS CB C 91 32.373 32.766 -0.393 1
1 834 . 19 1 1 A 91 91 LYS N N 91 122.571 120.120 2.451 1
1 835 . 19 1 1 A 92 92 PRO HA H 92 4.372 4.505 -0.133 1
1 842 . 19 1 1 A 92 92 PRO C C 92 176.665 177.836 -1.171 1
1 843 . 19 1 1 A 92 92 PRO CA C 92 63.251 63.611 -0.360 1
1 844 . 19 1 1 A 92 92 PRO CB C 92 32.073 32.431 -0.358 1
1 847 . 19 1 1 A 93 93 ALA H H 93 8.364 7.998 0.366 1
1 848 . 19 1 1 A 93 93 ALA HA H 93 4.245 3.910 0.335 1
1 852 . 19 1 1 A 93 93 ALA C C 93 177.504 176.125 1.379 1
1 853 . 19 1 1 A 93 93 ALA CA C 93 52.458 54.954 -2.496 1
1 854 . 19 1 1 A 93 93 ALA CB C 93 19.247 17.293 1.954 1
1 855 . 19 1 1 A 93 93 ALA N N 93 123.718 117.375 6.343 1
1 856 . 19 1 1 A 94 94 TYR H H 94 8.153 8.204 -0.051 1
1 857 . 19 1 1 A 94 94 TYR HA H 94 4.626 4.618 0.008 1
1 864 . 19 1 1 A 94 94 TYR C C 94 176.141 175.055 1.086 1
1 865 . 19 1 1 A 94 94 TYR CA C 94 57.859 56.971 0.888 1
1 866 . 19 1 1 A 94 94 TYR CB C 94 38.793 40.095 -1.302 1
1 871 . 19 1 1 A 94 94 TYR N N 94 119.293 116.311 2.982 1
1 872 . 19 1 1 A 95 95 THR H H 95 8.119 8.738 -0.619 1
1 873 . 19 1 1 A 95 95 THR HA H 95 4.286 4.940 -0.654 1
1 878 . 19 1 1 A 95 95 THR C C 95 174.813 173.017 1.796 1
1 879 . 19 1 1 A 95 95 THR CA C 95 61.758 60.651 1.107 1
1 880 . 19 1 1 A 95 95 THR CB C 95 69.860 71.215 -1.355 1
1 882 . 19 1 1 A 95 95 THR N N 95 115.890 114.751 1.139 1
1 883 . 19 1 1 A 96 96 GLY H H 96 7.669 8.944 -1.275 1
1 884 . 19 1 1 A 96 96 GLY HA2 H 96 3.875 3.934 -0.059 1
1 885 . 19 1 1 A 96 96 GLY HA3 H 96 3.822 3.951 -0.129 1
1 886 . 19 1 1 A 96 96 GLY C C 96 173.774 173.555 0.219 1
1 887 . 19 1 1 A 96 96 GLY CA C 96 45.320 47.439 -2.119 1
1 888 . 19 1 1 A 96 96 GLY N N 96 110.133 111.148 -1.015 1
1 889 . 19 1 1 A 97 97 TYR H H 97 8.028 7.787 0.241 1
1 890 . 19 1 1 A 97 97 TYR HA H 97 4.510 5.048 -0.538 1
1 897 . 19 1 1 A 97 97 TYR CA C 97 58.115 56.300 1.815 1
1 898 . 19 1 1 A 97 97 TYR CB C 97 38.769 40.334 -1.565 1
1 903 . 19 1 1 A 97 97 TYR N N 97 119.945 118.874 1.071 1
1 904 . 19 1 1 A 98 98 ASN HA H 98 4.641 4.848 -0.207 1
1 909 . 19 1 1 A 98 98 ASN C C 98 174.882 174.516 0.366 1
1 910 . 19 1 1 A 98 98 ASN CA C 98 53.067 53.482 -0.415 1
1 911 . 19 1 1 A 98 98 ASN CB C 98 38.835 38.909 -0.074 1
1 913 . 19 1 1 A 99 99 ARG H H 99 8.226 8.517 -0.291 1
1 914 . 19 1 1 A 99 99 ARG HA H 99 4.259 4.582 -0.323 1
1 921 . 19 1 1 A 99 99 ARG C C 99 176.406 175.713 0.693 1
1 922 . 19 1 1 A 99 99 ARG CA C 99 56.464 54.758 1.706 1
1 923 . 19 1 1 A 99 99 ARG CB C 99 30.588 32.601 -2.013 1
1 926 . 19 1 1 A 99 99 ARG N N 99 121.620 125.452 -3.832 1
1 927 . 19 1 1 A 100 100 ARG H H 100 8.398 8.838 -0.440 1
1 928 . 19 1 1 A 100 100 ARG N N 100 121.935 117.553 4.382 1
1 929 . 19 1 1 A 101 101 GLY HA2 H 101 3.835 3.818 0.017 1
1 930 . 19 1 1 A 101 101 GLY HA3 H 101 3.835 3.826 0.009 1
1 931 . 19 1 1 A 101 101 GLY CA C 101 43.935 47.422 -3.487 1
1 932 . 19 1 1 A 102 102 SER HA H 102 4.460 4.537 -0.077 1
1 935 . 19 1 1 A 102 102 SER CA C 102 58.458 57.593 0.865 1
1 936 . 19 1 1 A 102 102 SER CB C 102 64.128 62.729 1.399 1
1 937 . 19 1 1 A 103 103 LYS H H 103 8.524 8.521 0.003 1
1 938 . 19 1 1 A 103 103 LYS HA H 103 4.305 4.290 0.015 1
1 947 . 19 1 1 A 103 103 LYS CA C 103 56.788 56.866 -0.078 1
1 948 . 19 1 1 A 103 103 LYS CB C 103 32.766 32.850 -0.084 1
1 952 . 19 1 1 A 103 103 LYS N N 103 123.092 127.524 -4.432 1
1 953 . 19 1 1 A 104 104 ASP H H 104 8.316 8.621 -0.305 1
1 954 . 19 1 1 A 104 104 ASP HA H 104 4.612 4.807 -0.195 1
1 957 . 19 1 1 A 104 104 ASP C C 104 176.493 176.656 -0.163 1
1 958 . 19 1 1 A 104 104 ASP CA C 104 54.704 53.458 1.246 1
1 959 . 19 1 1 A 104 104 ASP CB C 104 41.277 40.550 0.727 1
1 960 . 19 1 1 A 104 104 ASP N N 104 120.807 126.526 -5.719 1
1 961 . 19 1 1 A 105 105 SER H H 105 8.215 8.595 -0.380 1
1 962 . 19 1 1 A 105 105 SER HA H 105 4.390 4.628 -0.238 1
1 965 . 19 1 1 A 105 105 SER C C 105 174.659 174.321 0.338 1
1 966 . 19 1 1 A 105 105 SER CA C 105 58.889 57.363 1.526 1
1 967 . 19 1 1 A 105 105 SER CB C 105 63.781 63.671 0.110 1
1 968 . 19 1 1 A 105 105 SER N N 105 116.100 122.853 -6.753 1
1 969 . 19 1 1 A 106 106 GLN H H 106 8.396 7.944 0.452 1
1 970 . 19 1 1 A 106 106 GLN HA H 106 4.344 4.446 -0.102 1
1 977 . 19 1 1 A 106 106 GLN C C 106 175.746 175.362 0.384 1
1 978 . 19 1 1 A 106 106 GLN CA C 106 55.981 56.045 -0.064 1
1 979 . 19 1 1 A 106 106 GLN CB C 106 29.351 30.326 -0.975 1
1 981 . 19 1 1 A 106 106 GLN N N 106 121.640 120.406 1.234 1
1 983 . 19 1 1 A 107 107 LEU H H 107 8.172 8.471 -0.299 1
1 984 . 19 1 1 A 107 107 LEU HA H 107 4.348 4.779 -0.431 1
1 994 . 19 1 1 A 107 107 LEU C C 107 176.328 175.831 0.497 1
1 995 . 19 1 1 A 107 107 LEU CA C 107 55.385 53.608 1.777 1
1 996 . 19 1 1 A 107 107 LEU CB C 107 42.163 42.038 0.125 1
1 1000 . 19 1 1 A 107 107 LEU N N 107 123.200 118.467 4.733 1
1 12 . 20 1 1 A 22 22 ALA H H 22 8.289 8.407 -0.118 1
1 13 . 20 1 1 A 22 22 ALA HA H 22 4.277 4.472 -0.195 1
1 17 . 20 1 1 A 22 22 ALA C C 22 177.730 175.900 1.830 1
1 18 . 20 1 1 A 22 22 ALA CA C 22 52.742 51.912 0.830 1
1 19 . 20 1 1 A 22 22 ALA CB C 22 19.263 17.508 1.755 1
1 20 . 20 1 1 A 22 22 ALA N N 22 125.042 127.351 -2.309 1
1 21 . 20 1 1 A 23 23 SER H H 23 8.253 8.649 -0.396 1
1 22 . 20 1 1 A 23 23 SER HA H 23 4.374 5.239 -0.865 1
1 25 . 20 1 1 A 23 23 SER C C 23 175.066 173.469 1.597 1
1 26 . 20 1 1 A 23 23 SER CA C 23 58.670 57.439 1.231 1
1 27 . 20 1 1 A 23 23 SER CB C 23 63.822 65.708 -1.886 1
1 28 . 20 1 1 A 23 23 SER N N 23 114.713 112.284 2.429 1
1 29 . 20 1 1 A 24 24 GLY H H 24 8.368 8.700 -0.332 1
1 30 . 20 1 1 A 24 24 GLY HA2 H 24 3.945 3.999 -0.054 1
1 31 . 20 1 1 A 24 24 GLY HA3 H 24 3.886 4.039 -0.153 1
1 32 . 20 1 1 A 24 24 GLY C C 24 173.906 175.324 -1.418 1
1 33 . 20 1 1 A 24 24 GLY CA C 24 45.410 46.056 -0.646 1
1 34 . 20 1 1 A 24 24 GLY N N 24 110.595 112.946 -2.351 1
1 35 . 20 1 1 A 25 25 TRP H H 25 7.961 8.486 -0.525 1
1 36 . 20 1 1 A 25 25 TRP HA H 25 4.632 4.499 0.133 1
1 45 . 20 1 1 A 25 25 TRP C C 25 175.880 176.902 -1.022 1
1 46 . 20 1 1 A 25 25 TRP CA C 25 57.289 59.134 -1.845 1
1 47 . 20 1 1 A 25 25 TRP CB C 25 29.725 29.197 0.528 1
1 53 . 20 1 1 A 25 25 TRP N N 25 120.881 121.160 -0.279 1
1 55 . 20 1 1 A 26 26 ALA H H 26 8.129 7.266 0.863 1
1 56 . 20 1 1 A 26 26 ALA HA H 26 4.222 4.224 -0.002 1
1 60 . 20 1 1 A 26 26 ALA C C 26 176.977 176.220 0.757 1
1 61 . 20 1 1 A 26 26 ALA CA C 26 52.345 50.972 1.373 1
1 62 . 20 1 1 A 26 26 ALA CB C 26 19.414 19.349 0.065 1
1 63 . 20 1 1 A 26 26 ALA N N 26 125.541 119.734 5.807 1
1 64 . 20 1 1 A 27 27 ASN H H 27 8.139 7.703 0.436 1
1 65 . 20 1 1 A 27 27 ASN HA H 27 4.581 5.178 -0.597 1
1 70 . 20 1 1 A 27 27 ASN C C 27 175.044 173.254 1.790 1
1 71 . 20 1 1 A 27 27 ASN CA C 27 53.260 51.938 1.322 1
1 72 . 20 1 1 A 27 27 ASN CB C 27 39.022 41.374 -2.352 1
1 73 . 20 1 1 A 27 27 ASN N N 27 117.794 114.942 2.852 1
1 75 . 20 1 1 A 28 28 ASP H H 28 8.286 8.422 -0.136 1
1 76 . 20 1 1 A 28 28 ASP HA H 28 4.581 5.019 -0.438 1
1 79 . 20 1 1 A 28 28 ASP C C 28 176.163 176.232 -0.069 1
1 80 . 20 1 1 A 28 28 ASP CA C 28 54.629 52.151 2.478 1
1 81 . 20 1 1 A 28 28 ASP CB C 28 41.129 43.730 -2.601 1
1 82 . 20 1 1 A 28 28 ASP N N 28 120.788 122.211 -1.423 1
1 83 . 20 1 1 A 29 29 ASP H H 29 8.287 9.037 -0.750 1
1 84 . 20 1 1 A 29 29 ASP HA H 29 4.546 4.370 0.176 1
1 87 . 20 1 1 A 29 29 ASP C C 29 176.359 178.531 -2.172 1
1 88 . 20 1 1 A 29 29 ASP CA C 29 54.883 56.931 -2.048 1
1 89 . 20 1 1 A 29 29 ASP CB C 29 41.050 39.527 1.523 1
1 90 . 20 1 1 A 29 29 ASP N N 29 120.641 120.695 -0.054 1
1 91 . 20 1 1 A 30 30 ALA H H 30 8.141 7.711 0.430 1
1 92 . 20 1 1 A 30 30 ALA HA H 30 4.278 4.101 0.177 1
1 96 . 20 1 1 A 30 30 ALA C C 30 178.218 178.380 -0.162 1
1 97 . 20 1 1 A 30 30 ALA CA C 30 53.006 54.278 -1.272 1
1 98 . 20 1 1 A 30 30 ALA CB C 30 19.115 18.119 0.996 1
1 99 . 20 1 1 A 30 30 ALA N N 30 123.561 121.718 1.843 1
1 100 . 20 1 1 A 31 31 VAL H H 31 7.996 7.578 0.418 1
1 101 . 20 1 1 A 31 31 VAL HA H 31 4.010 3.822 0.188 1
1 109 . 20 1 1 A 31 31 VAL C C 31 175.417 177.425 -2.008 1
1 110 . 20 1 1 A 31 31 VAL CA C 31 62.896 65.488 -2.592 1
1 111 . 20 1 1 A 31 31 VAL CB C 31 32.567 32.001 0.566 1
1 114 . 20 1 1 A 31 31 VAL N N 31 118.676 116.231 2.445 1
1 115 . 20 1 1 A 32 32 ASN H H 32 8.364 8.283 0.081 1
1 116 . 20 1 1 A 32 32 ASN HA H 32 4.694 4.402 0.292 1
1 121 . 20 1 1 A 32 32 ASN C C 32 174.659 177.397 -2.738 1
1 122 . 20 1 1 A 32 32 ASN CA C 32 53.547 56.604 -3.057 1
1 123 . 20 1 1 A 32 32 ASN CB C 32 38.939 38.719 0.220 1
1 124 . 20 1 1 A 32 32 ASN N N 32 121.518 119.025 2.493 1
1 126 . 20 1 1 A 33 33 GLU H H 33 8.380 8.780 -0.400 1
1 127 . 20 1 1 A 33 33 GLU HA H 33 4.240 4.116 0.124 1
1 132 . 20 1 1 A 33 33 GLU C C 33 176.641 177.739 -1.098 1
1 133 . 20 1 1 A 33 33 GLU CA C 33 57.074 58.302 -1.228 1
1 134 . 20 1 1 A 33 33 GLU CB C 33 30.212 27.796 2.416 1
1 136 . 20 1 1 A 33 33 GLU N N 33 121.497 116.822 4.675 1
1 137 . 20 1 1 A 34 34 GLN H H 34 8.333 7.664 0.669 1
1 138 . 20 1 1 A 34 34 GLN HA H 34 4.315 4.170 0.145 1
1 145 . 20 1 1 A 34 34 GLN C C 34 176.325 176.979 -0.654 1
1 146 . 20 1 1 A 34 34 GLN CA C 34 56.232 57.286 -1.054 1
1 147 . 20 1 1 A 34 34 GLN CB C 34 29.304 28.721 0.583 1
1 149 . 20 1 1 A 34 34 GLN N N 34 120.891 117.817 3.074 1
1 151 . 20 1 1 A 35 35 ILE H H 35 8.155 7.432 0.723 1
1 152 . 20 1 1 A 35 35 ILE HA H 35 4.116 4.075 0.041 1
1 162 . 20 1 1 A 35 35 ILE C C 35 176.203 177.990 -1.787 1
1 163 . 20 1 1 A 35 35 ILE CA C 35 61.645 61.799 -0.154 1
1 164 . 20 1 1 A 35 35 ILE CB C 35 38.640 37.313 1.327 1
1 168 . 20 1 1 A 35 35 ILE N N 35 121.784 118.273 3.511 1
1 169 . 20 1 1 A 36 36 ASN H H 36 8.504 7.952 0.552 1
1 170 . 20 1 1 A 36 36 ASN HA H 36 4.760 4.601 0.159 1
1 175 . 20 1 1 A 36 36 ASN C C 36 175.468 176.919 -1.451 1
1 176 . 20 1 1 A 36 36 ASN CA C 36 53.504 54.958 -1.454 1
1 177 . 20 1 1 A 36 36 ASN CB C 36 38.947 38.491 0.456 1
1 178 . 20 1 1 A 36 36 ASN N N 36 122.204 121.439 0.765 1
1 180 . 20 1 1 A 37 37 SER H H 37 8.380 8.179 0.201 1
1 181 . 20 1 1 A 37 37 SER HA H 37 4.505 4.555 -0.050 1
1 184 . 20 1 1 A 37 37 SER C C 37 174.990 176.370 -1.380 1
1 185 . 20 1 1 A 37 37 SER CA C 37 58.963 60.864 -1.901 1
1 186 . 20 1 1 A 37 37 SER CB C 37 63.760 62.969 0.791 1
1 187 . 20 1 1 A 37 37 SER N N 37 116.788 115.345 1.443 1
1 188 . 20 1 1 A 38 38 THR H H 38 8.302 7.517 0.785 1
1 189 . 20 1 1 A 38 38 THR HA H 38 4.369 3.929 0.440 1
1 194 . 20 1 1 A 38 38 THR C C 38 175.437 176.674 -1.237 1
1 195 . 20 1 1 A 38 38 THR CA C 38 62.751 67.001 -4.250 1
1 196 . 20 1 1 A 38 38 THR CB C 38 69.838 68.458 1.380 1
1 198 . 20 1 1 A 38 38 THR N N 38 116.285 116.954 -0.669 1
1 199 . 20 1 1 A 39 39 ILE H H 39 8.153 7.927 0.226 1
1 200 . 20 1 1 A 39 39 ILE HA H 39 4.080 3.539 0.541 1
1 210 . 20 1 1 A 39 39 ILE C C 39 176.850 178.335 -1.485 1
1 211 . 20 1 1 A 39 39 ILE CA C 39 62.295 65.561 -3.266 1
1 212 . 20 1 1 A 39 39 ILE CB C 39 38.373 37.782 0.591 1
1 216 . 20 1 1 A 39 39 ILE N N 39 123.148 121.432 1.716 1
1 217 . 20 1 1 A 40 40 GLU H H 40 8.438 8.514 -0.076 1
1 218 . 20 1 1 A 40 40 GLU HA H 40 4.146 4.028 0.118 1
1 223 . 20 1 1 A 40 40 GLU C C 40 177.573 178.550 -0.977 1
1 224 . 20 1 1 A 40 40 GLU CA C 40 58.026 59.113 -1.087 1
1 225 . 20 1 1 A 40 40 GLU CB C 40 29.870 29.071 0.799 1
1 227 . 20 1 1 A 40 40 GLU N N 40 123.184 120.419 2.765 1
1 228 . 20 1 1 A 41 41 ASP H H 41 8.295 7.855 0.440 1
1 229 . 20 1 1 A 41 41 ASP HA H 41 4.512 4.381 0.131 1
1 232 . 20 1 1 A 41 41 ASP C C 41 176.856 178.233 -1.377 1
1 233 . 20 1 1 A 41 41 ASP CA C 41 55.563 57.339 -1.776 1
1 234 . 20 1 1 A 41 41 ASP CB C 41 41.080 40.877 0.203 1
1 235 . 20 1 1 A 41 41 ASP N N 41 121.311 120.886 0.425 1
1 236 . 20 1 1 A 42 42 ALA H H 42 8.098 7.716 0.382 1
1 237 . 20 1 1 A 42 42 ALA HA H 42 4.153 4.082 0.071 1
1 241 . 20 1 1 A 42 42 ALA C C 42 179.658 180.706 -1.048 1
1 242 . 20 1 1 A 42 42 ALA CA C 42 54.315 55.001 -0.686 1
1 243 . 20 1 1 A 42 42 ALA CB C 42 18.765 18.357 0.408 1
1 244 . 20 1 1 A 42 42 ALA N N 42 123.411 121.079 2.332 1
1 245 . 20 1 1 A 43 43 ILE H H 43 8.047 7.758 0.289 1
1 246 . 20 1 1 A 43 43 ILE HA H 43 3.904 3.737 0.167 1
1 256 . 20 1 1 A 43 43 ILE C C 43 176.603 177.994 -1.391 1
1 257 . 20 1 1 A 43 43 ILE CA C 43 63.028 64.717 -1.689 1
1 258 . 20 1 1 A 43 43 ILE CB C 43 38.140 36.589 1.551 1
1 262 . 20 1 1 A 43 43 ILE N N 43 119.853 118.627 1.226 1
1 263 . 20 1 1 A 44 44 ALA H H 44 8.072 8.297 -0.225 1
1 264 . 20 1 1 A 44 44 ALA HA H 44 4.162 4.133 0.029 1
1 268 . 20 1 1 A 44 44 ALA C C 44 179.414 179.649 -0.235 1
1 269 . 20 1 1 A 44 44 ALA CA C 44 54.011 55.571 -1.560 1
1 270 . 20 1 1 A 44 44 ALA CB C 44 18.614 18.232 0.382 1
1 271 . 20 1 1 A 44 44 ALA N N 44 124.814 122.397 2.417 1
1 272 . 20 1 1 A 45 45 ARG H H 45 8.177 7.842 0.335 1
1 273 . 20 1 1 A 45 45 ARG HA H 45 4.187 4.119 0.068 1
1 280 . 20 1 1 A 45 45 ARG C C 45 177.629 178.538 -0.909 1
1 281 . 20 1 1 A 45 45 ARG CA C 45 57.569 58.719 -1.150 1
1 282 . 20 1 1 A 45 45 ARG CB C 45 30.600 29.812 0.788 1
1 285 . 20 1 1 A 45 45 ARG N N 45 118.718 116.686 2.032 1
1 286 . 20 1 1 A 46 46 ALA H H 46 8.004 7.483 0.521 1
1 287 . 20 1 1 A 46 46 ALA HA H 46 4.274 4.106 0.168 1
1 291 . 20 1 1 A 46 46 ALA C C 46 178.519 178.393 0.126 1
1 292 . 20 1 1 A 46 46 ALA CA C 46 53.339 55.134 -1.795 1
1 293 . 20 1 1 A 46 46 ALA CB C 46 18.827 18.635 0.192 1
1 294 . 20 1 1 A 46 46 ALA N N 46 123.416 122.221 1.195 1
1 295 . 20 1 1 A 47 47 ARG H H 47 8.082 7.409 0.673 1
1 296 . 20 1 1 A 47 47 ARG HA H 47 4.285 4.490 -0.205 1
1 303 . 20 1 1 A 47 47 ARG C C 47 177.103 176.886 0.217 1
1 304 . 20 1 1 A 47 47 ARG CA C 47 56.871 55.034 1.837 1
1 305 . 20 1 1 A 47 47 ARG CB C 47 30.655 31.945 -1.290 1
1 308 . 20 1 1 A 47 47 ARG N N 47 118.672 113.487 5.185 1
1 309 . 20 1 1 A 48 48 GLY H H 48 8.160 8.047 0.113 1
1 310 . 20 1 1 A 48 48 GLY HA2 H 48 3.976 3.980 -0.004 1
1 311 . 20 1 1 A 48 48 GLY HA3 H 48 3.976 3.980 -0.004 1
1 312 . 20 1 1 A 48 48 GLY C C 48 174.015 175.139 -1.124 1
1 313 . 20 1 1 A 48 48 GLY CA C 48 45.337 46.166 -0.829 1
1 314 . 20 1 1 A 48 48 GLY N N 48 108.533 109.409 -0.876 1
1 315 . 20 1 1 A 49 49 GLU H H 49 8.113 8.045 0.068 1
1 316 . 20 1 1 A 49 49 GLU HA H 49 4.317 4.042 0.275 1
1 321 . 20 1 1 A 49 49 GLU C C 49 176.216 176.636 -0.420 1
1 322 . 20 1 1 A 49 49 GLU CA C 49 56.125 59.026 -2.901 1
1 323 . 20 1 1 A 49 49 GLU CB C 49 30.497 30.096 0.401 1
1 325 . 20 1 1 A 49 49 GLU N N 49 120.272 120.893 -0.621 1
1 326 . 20 1 1 A 50 50 ILE H H 50 8.203 7.833 0.370 1
1 327 . 20 1 1 A 50 50 ILE HA H 50 4.419 4.249 0.170 1
1 337 . 20 1 1 A 50 50 ILE CA C 50 58.687 59.759 -1.072 1
1 338 . 20 1 1 A 50 50 ILE CB C 50 38.623 38.045 0.578 1
1 342 . 20 1 1 A 50 50 ILE N N 50 123.785 119.559 4.226 1
1 343 . 20 1 1 A 51 51 PRO HA H 51 4.414 4.660 -0.246 1
1 350 . 20 1 1 A 51 51 PRO C C 51 176.785 175.661 1.124 1
1 351 . 20 1 1 A 51 51 PRO CA C 51 63.188 62.178 1.010 1
1 352 . 20 1 1 A 51 51 PRO CB C 51 32.210 33.005 -0.795 1
1 355 . 20 1 1 A 52 52 ARG H H 52 8.545 8.816 -0.271 1
1 356 . 20 1 1 A 52 52 ARG HA H 52 4.300 4.451 -0.151 1
1 363 . 20 1 1 A 52 52 ARG C C 52 176.985 176.059 0.926 1
1 364 . 20 1 1 A 52 52 ARG CA C 52 56.493 55.828 0.665 1
1 365 . 20 1 1 A 52 52 ARG CB C 52 30.944 28.812 2.132 1
1 368 . 20 1 1 A 52 52 ARG N N 52 122.009 121.281 0.728 1
1 369 . 20 1 1 A 53 53 GLY H H 53 8.504 8.221 0.283 1
1 370 . 20 1 1 A 53 53 GLY HA2 H 53 3.995 4.169 -0.174 1
1 371 . 20 1 1 A 53 53 GLY HA3 H 53 3.934 4.170 -0.236 1
1 372 . 20 1 1 A 53 53 GLY C C 53 173.562 174.650 -1.088 1
1 373 . 20 1 1 A 53 53 GLY CA C 53 44.990 45.108 -0.118 1
1 374 . 20 1 1 A 53 53 GLY N N 53 110.270 113.392 -3.122 1
1 375 . 20 1 1 A 54 54 GLU H H 54 8.216 8.762 -0.546 1
1 376 . 20 1 1 A 54 54 GLU HA H 54 4.364 4.036 0.328 1
1 381 . 20 1 1 A 54 54 GLU C C 54 177.145 176.878 0.267 1
1 382 . 20 1 1 A 54 54 GLU CA C 54 55.883 58.861 -2.978 1
1 383 . 20 1 1 A 54 54 GLU CB C 54 30.696 29.591 1.105 1
1 385 . 20 1 1 A 54 54 GLU N N 54 119.939 121.742 -1.803 1
1 386 . 20 1 1 A 55 55 SER H H 55 8.916 7.666 1.250 1
1 387 . 20 1 1 A 55 55 SER HA H 55 4.544 4.331 0.213 1
1 390 . 20 1 1 A 55 55 SER C C 55 174.434 175.375 -0.941 1
1 391 . 20 1 1 A 55 55 SER CA C 55 58.592 58.970 -0.378 1
1 392 . 20 1 1 A 55 55 SER CB C 55 63.662 63.024 0.638 1
1 393 . 20 1 1 A 55 55 SER N N 55 118.742 114.685 4.057 1
1 394 . 20 1 1 A 56 56 LEU H H 56 8.598 7.953 0.645 1
1 395 . 20 1 1 A 56 56 LEU HA H 56 4.343 4.413 -0.070 1
1 405 . 20 1 1 A 56 56 LEU C C 56 176.024 177.601 -1.577 1
1 406 . 20 1 1 A 56 56 LEU CA C 56 54.782 55.268 -0.486 1
1 407 . 20 1 1 A 56 56 LEU CB C 56 42.106 43.110 -1.004 1
1 411 . 20 1 1 A 56 56 LEU N N 56 125.386 123.049 2.337 1
1 412 . 20 1 1 A 57 57 ASP H H 57 8.211 7.946 0.265 1
1 413 . 20 1 1 A 57 57 ASP HA H 57 4.545 4.320 0.225 1
1 416 . 20 1 1 A 57 57 ASP C C 57 176.869 174.774 2.095 1
1 417 . 20 1 1 A 57 57 ASP CA C 57 54.978 56.079 -1.101 1
1 418 . 20 1 1 A 57 57 ASP CB C 57 41.477 39.115 2.362 1
1 419 . 20 1 1 A 57 57 ASP N N 57 115.979 114.918 1.061 1
1 420 . 20 1 1 A 58 58 GLU H H 58 7.469 7.854 -0.385 1
1 421 . 20 1 1 A 58 58 GLU HA H 58 4.717 4.582 0.135 1
1 426 . 20 1 1 A 58 58 GLU C C 58 174.081 175.463 -1.382 1
1 427 . 20 1 1 A 58 58 GLU CA C 58 54.280 55.086 -0.806 1
1 428 . 20 1 1 A 58 58 GLU CB C 58 32.995 31.153 1.842 1
1 430 . 20 1 1 A 58 58 GLU N N 58 118.912 118.588 0.324 1
1 431 . 20 1 1 A 59 59 CYS H H 59 9.364 8.591 0.773 1
1 432 . 20 1 1 A 59 59 CYS HA H 59 4.248 4.259 -0.011 1
1 435 . 20 1 1 A 59 59 CYS C C 59 178.266 176.238 2.028 1
1 436 . 20 1 1 A 59 59 CYS CA C 59 59.782 60.270 -0.488 1
1 437 . 20 1 1 A 59 59 CYS CB C 59 31.041 28.930 2.111 1
1 438 . 20 1 1 A 59 59 CYS N N 59 124.760 125.336 -0.576 1
1 439 . 20 1 1 A 60 60 GLU H H 60 9.202 8.995 0.207 1
1 440 . 20 1 1 A 60 60 GLU HA H 60 4.202 4.050 0.152 1
1 445 . 20 1 1 A 60 60 GLU C C 60 175.834 178.516 -2.682 1
1 446 . 20 1 1 A 60 60 GLU CA C 60 58.503 58.809 -0.306 1
1 447 . 20 1 1 A 60 60 GLU CB C 60 30.041 29.151 0.890 1
1 449 . 20 1 1 A 60 60 GLU N N 60 130.690 127.258 3.432 1
1 450 . 20 1 1 A 61 61 GLU H H 61 8.751 7.596 1.155 1
1 451 . 20 1 1 A 61 61 GLU HA H 61 4.542 4.281 0.261 1
1 456 . 20 1 1 A 61 61 GLU C C 61 177.312 178.305 -0.993 1
1 457 . 20 1 1 A 61 61 GLU CA C 61 58.094 58.460 -0.366 1
1 458 . 20 1 1 A 61 61 GLU CB C 61 31.037 30.502 0.535 1
1 460 . 20 1 1 A 61 61 GLU N N 61 120.904 118.956 1.948 1
1 461 . 20 1 1 A 62 62 CYS H H 62 8.401 7.269 1.132 1
1 462 . 20 1 1 A 62 62 CYS HA H 62 5.014 4.617 0.397 1
1 465 . 20 1 1 A 62 62 CYS C C 62 177.324 175.562 1.762 1
1 466 . 20 1 1 A 62 62 CYS CA C 62 59.127 58.439 0.688 1
1 467 . 20 1 1 A 62 62 CYS CB C 62 33.355 29.195 4.160 1
1 468 . 20 1 1 A 62 62 CYS N N 62 117.947 113.966 3.981 1
1 469 . 20 1 1 A 63 63 GLY H H 63 8.048 8.006 0.042 1
1 470 . 20 1 1 A 63 63 GLY HA2 H 63 4.234 3.925 0.309 1
1 471 . 20 1 1 A 63 63 GLY HA3 H 63 3.820 3.928 -0.108 1
1 472 . 20 1 1 A 63 63 GLY C C 63 172.914 174.856 -1.942 1
1 473 . 20 1 1 A 63 63 GLY CA C 63 46.163 46.679 -0.516 1
1 474 . 20 1 1 A 63 63 GLY N N 63 113.407 111.446 1.961 1
1 475 . 20 1 1 A 64 64 ALA H H 64 9.148 8.012 1.136 1
1 476 . 20 1 1 A 64 64 ALA HA H 64 4.536 4.493 0.043 1
1 480 . 20 1 1 A 64 64 ALA CA C 64 51.510 50.557 0.953 1
1 481 . 20 1 1 A 64 64 ALA CB C 64 19.099 19.017 0.082 1
1 482 . 20 1 1 A 64 64 ALA N N 64 127.297 123.486 3.811 1
1 483 . 20 1 1 A 65 65 PRO HA H 65 4.583 4.541 0.042 1
1 490 . 20 1 1 A 65 65 PRO C C 65 177.423 176.830 0.593 1
1 491 . 20 1 1 A 65 65 PRO CA C 65 63.020 63.284 -0.264 1
1 492 . 20 1 1 A 65 65 PRO CB C 65 31.832 31.740 0.092 1
1 495 . 20 1 1 A 66 66 ILE H H 66 8.053 8.267 -0.214 1
1 496 . 20 1 1 A 66 66 ILE HA H 66 4.330 4.276 0.054 1
1 506 . 20 1 1 A 66 66 ILE CA C 66 58.847 59.874 -1.027 1
1 507 . 20 1 1 A 66 66 ILE CB C 66 38.162 38.001 0.161 1
1 511 . 20 1 1 A 66 66 ILE N N 66 125.090 124.233 0.857 1
1 512 . 20 1 1 A 67 67 PRO HA H 67 4.447 4.589 -0.142 1
1 519 . 20 1 1 A 67 67 PRO C C 67 177.325 177.821 -0.496 1
1 520 . 20 1 1 A 67 67 PRO CA C 67 62.883 62.587 0.296 1
1 521 . 20 1 1 A 67 67 PRO CB C 67 32.692 32.701 -0.009 1
1 524 . 20 1 1 A 68 68 GLN H H 68 8.982 8.600 0.382 1
1 525 . 20 1 1 A 68 68 GLN HA H 68 3.791 3.992 -0.201 1
1 532 . 20 1 1 A 68 68 GLN C C 68 177.316 178.252 -0.936 1
1 533 . 20 1 1 A 68 68 GLN CA C 68 59.491 58.522 0.969 1
1 534 . 20 1 1 A 68 68 GLN CB C 68 27.882 27.882 0.000 1
1 536 . 20 1 1 A 68 68 GLN N N 68 124.876 122.035 2.841 1
1 538 . 20 1 1 A 69 69 ALA H H 69 8.892 8.224 0.668 1
1 539 . 20 1 1 A 69 69 ALA HA H 69 4.100 4.010 0.090 1
1 543 . 20 1 1 A 69 69 ALA C C 69 180.347 179.580 0.767 1
1 544 . 20 1 1 A 69 69 ALA CA C 69 55.209 55.168 0.041 1
1 545 . 20 1 1 A 69 69 ALA CB C 69 18.097 18.364 -0.267 1
1 546 . 20 1 1 A 69 69 ALA N N 69 118.268 122.702 -4.434 1
1 547 . 20 1 1 A 70 70 ARG H H 70 7.020 7.531 -0.511 1
1 548 . 20 1 1 A 70 70 ARG HA H 70 4.234 4.073 0.161 1
1 555 . 20 1 1 A 70 70 ARG C C 70 176.438 178.742 -2.304 1
1 556 . 20 1 1 A 70 70 ARG CA C 70 58.791 59.238 -0.447 1
1 557 . 20 1 1 A 70 70 ARG CB C 70 29.544 29.756 -0.212 1
1 560 . 20 1 1 A 70 70 ARG N N 70 119.170 117.617 1.553 1
1 561 . 20 1 1 A 71 71 ARG H H 71 7.754 7.798 -0.044 1
1 562 . 20 1 1 A 71 71 ARG HA H 71 3.807 4.101 -0.294 1
1 569 . 20 1 1 A 71 71 ARG C C 71 179.191 178.718 0.473 1
1 570 . 20 1 1 A 71 71 ARG CA C 71 59.782 59.503 0.279 1
1 571 . 20 1 1 A 71 71 ARG CB C 71 30.564 30.083 0.481 1
1 574 . 20 1 1 A 71 71 ARG N N 71 116.460 119.269 -2.809 1
1 575 . 20 1 1 A 72 72 GLU H H 72 8.062 7.908 0.154 1
1 576 . 20 1 1 A 72 72 GLU HA H 72 4.014 4.149 -0.135 1
1 581 . 20 1 1 A 72 72 GLU C C 72 177.357 178.821 -1.464 1
1 582 . 20 1 1 A 72 72 GLU CA C 72 57.860 58.649 -0.789 1
1 583 . 20 1 1 A 72 72 GLU CB C 72 29.978 29.584 0.394 1
1 585 . 20 1 1 A 72 72 GLU N N 72 114.904 118.396 -3.492 1
1 586 . 20 1 1 A 73 73 ALA H H 73 7.686 7.330 0.356 1
1 587 . 20 1 1 A 73 73 ALA HA H 73 4.199 4.157 0.042 1
1 591 . 20 1 1 A 73 73 ALA C C 73 178.246 177.569 0.677 1
1 592 . 20 1 1 A 73 73 ALA CA C 73 54.110 54.577 -0.467 1
1 593 . 20 1 1 A 73 73 ALA CB C 73 19.546 19.306 0.240 1
1 594 . 20 1 1 A 73 73 ALA N N 73 120.673 121.429 -0.756 1
1 595 . 20 1 1 A 74 74 ILE H H 74 7.609 7.844 -0.235 1
1 596 . 20 1 1 A 74 74 ILE HA H 74 4.318 4.474 -0.156 1
1 606 . 20 1 1 A 74 74 ILE CA C 74 57.722 57.950 -0.228 1
1 607 . 20 1 1 A 74 74 ILE CB C 74 38.313 39.526 -1.213 1
1 611 . 20 1 1 A 74 74 ILE N N 74 117.475 118.151 -0.676 1
1 612 . 20 1 1 A 75 75 PRO HA H 75 4.267 4.376 -0.109 1
1 619 . 20 1 1 A 75 75 PRO C C 75 179.050 177.757 1.293 1
1 620 . 20 1 1 A 75 75 PRO CA C 75 63.966 63.420 0.546 1
1 621 . 20 1 1 A 75 75 PRO CB C 75 31.409 30.971 0.438 1
1 624 . 20 1 1 A 76 76 GLY H H 76 8.594 8.478 0.116 1
1 625 . 20 1 1 A 76 76 GLY HA2 H 76 4.081 3.922 0.159 1
1 626 . 20 1 1 A 76 76 GLY HA3 H 76 3.402 3.923 -0.521 1
1 627 . 20 1 1 A 76 76 GLY C C 76 174.447 174.644 -0.197 1
1 628 . 20 1 1 A 76 76 GLY CA C 76 45.138 45.359 -0.221 1
1 629 . 20 1 1 A 76 76 GLY N N 76 113.042 112.612 0.430 1
1 630 . 20 1 1 A 77 77 VAL H H 77 8.185 7.556 0.629 1
1 631 . 20 1 1 A 77 77 VAL HA H 77 3.955 4.008 -0.053 1
1 639 . 20 1 1 A 77 77 VAL C C 77 173.122 175.881 -2.759 1
1 640 . 20 1 1 A 77 77 VAL CA C 77 63.160 62.354 0.806 1
1 641 . 20 1 1 A 77 77 VAL CB C 77 30.748 32.481 -1.733 1
1 644 . 20 1 1 A 77 77 VAL N N 77 124.214 120.382 3.832 1
1 645 . 20 1 1 A 78 78 ARG H H 78 8.635 8.780 -0.145 1
1 646 . 20 1 1 A 78 78 ARG HA H 78 4.547 4.678 -0.131 1
1 653 . 20 1 1 A 78 78 ARG C C 78 173.948 175.716 -1.768 1
1 654 . 20 1 1 A 78 78 ARG CA C 78 55.410 55.429 -0.019 1
1 655 . 20 1 1 A 78 78 ARG CB C 78 33.618 31.487 2.131 1
1 658 . 20 1 1 A 78 78 ARG N N 78 121.505 125.246 -3.741 1
1 659 . 20 1 1 A 79 79 LEU H H 79 7.037 7.543 -0.506 1
1 660 . 20 1 1 A 79 79 LEU HA H 79 6.078 4.830 1.248 1
1 670 . 20 1 1 A 79 79 LEU C C 79 178.615 176.358 2.257 1
1 671 . 20 1 1 A 79 79 LEU CA C 79 52.286 53.439 -1.153 1
1 672 . 20 1 1 A 79 79 LEU CB C 79 46.763 44.904 1.859 1
1 676 . 20 1 1 A 79 79 LEU N N 79 116.511 121.033 -4.522 1
1 677 . 20 1 1 A 80 80 CYS H H 80 9.639 8.878 0.761 1
1 678 . 20 1 1 A 80 80 CYS HA H 80 4.595 4.567 0.028 1
1 681 . 20 1 1 A 80 80 CYS C C 80 174.898 175.435 -0.537 1
1 682 . 20 1 1 A 80 80 CYS CA C 80 57.983 58.672 -0.689 1
1 683 . 20 1 1 A 80 80 CYS CB C 80 31.306 29.404 1.902 1
1 684 . 20 1 1 A 80 80 CYS N N 80 121.517 124.211 -2.694 1
1 685 . 20 1 1 A 81 81 ILE H H 81 9.215 8.547 0.668 1
1 686 . 20 1 1 A 81 81 ILE HA H 81 3.836 3.851 -0.015 1
1 696 . 20 1 1 A 81 81 ILE C C 81 176.081 177.389 -1.308 1
1 697 . 20 1 1 A 81 81 ILE CA C 81 63.715 64.276 -0.561 1
1 698 . 20 1 1 A 81 81 ILE CB C 81 38.309 37.818 0.491 1
1 702 . 20 1 1 A 81 81 ILE N N 81 119.426 122.876 -3.450 1
1 703 . 20 1 1 A 82 82 HIS H H 82 7.439 7.826 -0.387 1
1 704 . 20 1 1 A 82 82 HIS HA H 82 4.354 4.352 0.002 1
1 709 . 20 1 1 A 82 82 HIS C C 82 178.603 177.923 0.680 1
1 710 . 20 1 1 A 82 82 HIS CA C 82 59.802 59.407 0.395 1
1 711 . 20 1 1 A 82 82 HIS CB C 82 30.164 29.926 0.238 1
1 714 . 20 1 1 A 82 82 HIS N N 82 122.605 119.148 3.457 1
1 715 . 20 1 1 A 83 83 CYS H H 83 8.960 8.190 0.770 1
1 716 . 20 1 1 A 83 83 CYS HA H 83 3.995 4.408 -0.413 1
1 719 . 20 1 1 A 83 83 CYS C C 83 178.676 176.840 1.836 1
1 720 . 20 1 1 A 83 83 CYS CA C 83 64.648 61.492 3.156 1
1 721 . 20 1 1 A 83 83 CYS CB C 83 29.618 26.878 2.740 1
1 722 . 20 1 1 A 83 83 CYS N N 83 124.742 117.942 6.800 1
1 723 . 20 1 1 A 84 84 GLN H H 84 8.525 8.122 0.403 1
1 724 . 20 1 1 A 84 84 GLN HA H 84 3.812 4.038 -0.226 1
1 731 . 20 1 1 A 84 84 GLN C C 84 177.478 178.254 -0.776 1
1 732 . 20 1 1 A 84 84 GLN CA C 84 58.750 58.885 -0.135 1
1 733 . 20 1 1 A 84 84 GLN CB C 84 28.372 28.501 -0.129 1
1 735 . 20 1 1 A 84 84 GLN N N 84 120.642 121.220 -0.578 1
1 737 . 20 1 1 A 85 85 GLN H H 85 8.100 8.097 0.003 1
1 738 . 20 1 1 A 85 85 GLN HA H 85 4.117 3.993 0.124 1
1 745 . 20 1 1 A 85 85 GLN C C 85 178.483 177.948 0.535 1
1 746 . 20 1 1 A 85 85 GLN CA C 85 58.857 58.744 0.113 1
1 747 . 20 1 1 A 85 85 GLN CB C 85 28.261 28.489 -0.228 1
1 749 . 20 1 1 A 85 85 GLN N N 85 118.154 117.702 0.452 1
1 751 . 20 1 1 A 86 86 GLU H H 86 7.657 8.252 -0.595 1
1 752 . 20 1 1 A 86 86 GLU HA H 86 4.049 4.086 -0.037 1
1 757 . 20 1 1 A 86 86 GLU C C 86 178.798 178.352 0.446 1
1 758 . 20 1 1 A 86 86 GLU CA C 86 58.852 59.457 -0.605 1
1 759 . 20 1 1 A 86 86 GLU CB C 86 29.716 29.191 0.525 1
1 761 . 20 1 1 A 86 86 GLU N N 86 118.055 118.948 -0.893 1
1 762 . 20 1 1 A 87 87 LYS H H 87 7.799 7.930 -0.131 1
1 763 . 20 1 1 A 87 87 LYS HA H 87 4.056 4.144 -0.088 1
1 772 . 20 1 1 A 87 87 LYS C C 87 179.025 179.435 -0.410 1
1 773 . 20 1 1 A 87 87 LYS CA C 87 58.452 58.836 -0.384 1
1 774 . 20 1 1 A 87 87 LYS CB C 87 32.067 32.024 0.043 1
1 778 . 20 1 1 A 87 87 LYS N N 87 119.741 119.234 0.507 1
1 779 . 20 1 1 A 88 88 ASP H H 88 8.300 8.179 0.121 1
1 780 . 20 1 1 A 88 88 ASP HA H 88 4.461 4.412 0.049 1
1 783 . 20 1 1 A 88 88 ASP C C 88 177.597 177.879 -0.282 1
1 784 . 20 1 1 A 88 88 ASP CA C 88 56.228 56.825 -0.597 1
1 785 . 20 1 1 A 88 88 ASP CB C 88 40.500 41.919 -1.419 1
1 786 . 20 1 1 A 88 88 ASP N N 88 119.700 119.727 -0.027 1
1 787 . 20 1 1 A 89 89 LEU H H 89 7.672 7.542 0.130 1
1 788 . 20 1 1 A 89 89 LEU HA H 89 4.227 4.137 0.090 1
1 798 . 20 1 1 A 89 89 LEU C C 89 177.757 177.392 0.365 1
1 799 . 20 1 1 A 89 89 LEU CA C 89 55.938 55.929 0.009 1
1 800 . 20 1 1 A 89 89 LEU CB C 89 42.267 41.846 0.421 1
1 804 . 20 1 1 A 89 89 LEU N N 89 119.729 117.889 1.840 1
1 805 . 20 1 1 A 90 90 GLN H H 90 7.823 7.439 0.384 1
1 806 . 20 1 1 A 90 90 GLN HA H 90 4.264 4.449 -0.185 1
1 813 . 20 1 1 A 90 90 GLN C C 90 175.896 176.231 -0.335 1
1 814 . 20 1 1 A 90 90 GLN CA C 90 55.828 55.454 0.374 1
1 815 . 20 1 1 A 90 90 GLN CB C 90 28.871 29.404 -0.533 1
1 817 . 20 1 1 A 90 90 GLN N N 90 118.133 115.834 2.299 1
1 819 . 20 1 1 A 91 91 LYS H H 91 8.016 7.281 0.735 1
1 820 . 20 1 1 A 91 91 LYS HA H 91 4.561 4.358 0.203 1
1 829 . 20 1 1 A 91 91 LYS CA C 91 54.567 54.980 -0.413 1
1 830 . 20 1 1 A 91 91 LYS CB C 91 32.373 32.398 -0.025 1
1 834 . 20 1 1 A 91 91 LYS N N 91 122.571 120.985 1.586 1
1 835 . 20 1 1 A 92 92 PRO HA H 92 4.372 4.328 0.044 1
1 842 . 20 1 1 A 92 92 PRO C C 92 176.665 177.129 -0.464 1
1 843 . 20 1 1 A 92 92 PRO CA C 92 63.251 64.292 -1.041 1
1 844 . 20 1 1 A 92 92 PRO CB C 92 32.073 31.476 0.597 1
1 847 . 20 1 1 A 93 93 ALA H H 93 8.364 7.874 0.490 1
1 848 . 20 1 1 A 93 93 ALA HA H 93 4.245 3.958 0.287 1
1 852 . 20 1 1 A 93 93 ALA C C 93 177.504 175.544 1.960 1
1 853 . 20 1 1 A 93 93 ALA CA C 93 52.458 53.990 -1.532 1
1 854 . 20 1 1 A 93 93 ALA CB C 93 19.247 18.275 0.972 1
1 855 . 20 1 1 A 93 93 ALA N N 93 123.718 119.492 4.226 1
1 856 . 20 1 1 A 94 94 TYR H H 94 8.153 7.280 0.873 1
1 857 . 20 1 1 A 94 94 TYR HA H 94 4.626 5.363 -0.737 1
1 864 . 20 1 1 A 94 94 TYR C C 94 176.141 173.460 2.681 1
1 865 . 20 1 1 A 94 94 TYR CA C 94 57.859 55.879 1.980 1
1 866 . 20 1 1 A 94 94 TYR CB C 94 38.793 41.671 -2.878 1
1 871 . 20 1 1 A 94 94 TYR N N 94 119.293 113.486 5.807 1
1 872 . 20 1 1 A 95 95 THR H H 95 8.119 9.061 -0.942 1
1 873 . 20 1 1 A 95 95 THR HA H 95 4.286 5.356 -1.070 1
1 878 . 20 1 1 A 95 95 THR C C 95 174.813 173.830 0.983 1
1 879 . 20 1 1 A 95 95 THR CA C 95 61.758 60.927 0.831 1
1 880 . 20 1 1 A 95 95 THR CB C 95 69.860 70.580 -0.720 1
1 882 . 20 1 1 A 95 95 THR N N 95 115.890 113.461 2.429 1
1 883 . 20 1 1 A 96 96 GLY H H 96 7.669 9.268 -1.599 1
1 884 . 20 1 1 A 96 96 GLY HA2 H 96 3.875 4.303 -0.428 1
1 885 . 20 1 1 A 96 96 GLY HA3 H 96 3.822 4.497 -0.675 1
1 886 . 20 1 1 A 96 96 GLY C C 96 173.774 172.745 1.029 1
1 887 . 20 1 1 A 96 96 GLY CA C 96 45.320 46.134 -0.814 1
1 888 . 20 1 1 A 96 96 GLY N N 96 110.133 112.426 -2.293 1
1 889 . 20 1 1 A 97 97 TYR H H 97 8.028 8.393 -0.365 1
1 890 . 20 1 1 A 97 97 TYR HA H 97 4.510 5.269 -0.759 1
1 897 . 20 1 1 A 97 97 TYR CA C 97 58.115 55.988 2.127 1
1 898 . 20 1 1 A 97 97 TYR CB C 97 38.769 41.619 -2.850 1
1 903 . 20 1 1 A 97 97 TYR N N 97 119.945 119.615 0.330 1
1 904 . 20 1 1 A 98 98 ASN HA H 98 4.641 5.108 -0.467 1
1 909 . 20 1 1 A 98 98 ASN C C 98 174.882 174.969 -0.087 1
1 910 . 20 1 1 A 98 98 ASN CA C 98 53.067 53.067 0.000 1
1 911 . 20 1 1 A 98 98 ASN CB C 98 38.835 39.586 -0.751 1
1 913 . 20 1 1 A 99 99 ARG H H 99 8.226 8.763 -0.537 1
1 914 . 20 1 1 A 99 99 ARG HA H 99 4.259 4.941 -0.682 1
1 921 . 20 1 1 A 99 99 ARG C C 99 176.406 174.830 1.576 1
1 922 . 20 1 1 A 99 99 ARG CA C 99 56.464 54.341 2.123 1
1 923 . 20 1 1 A 99 99 ARG CB C 99 30.588 33.600 -3.012 1
1 926 . 20 1 1 A 99 99 ARG N N 99 121.620 123.438 -1.818 1
1 927 . 20 1 1 A 100 100 ARG H H 100 8.398 8.711 -0.313 1
1 928 . 20 1 1 A 100 100 ARG N N 100 121.935 121.349 0.586 1
1 929 . 20 1 1 A 101 101 GLY HA2 H 101 3.835 3.916 -0.081 1
1 930 . 20 1 1 A 101 101 GLY HA3 H 101 3.835 3.919 -0.084 1
1 931 . 20 1 1 A 101 101 GLY CA C 101 43.935 46.989 -3.054 1
1 932 . 20 1 1 A 102 102 SER HA H 102 4.460 5.005 -0.545 1
1 935 . 20 1 1 A 102 102 SER CA C 102 58.458 57.071 1.387 1
1 936 . 20 1 1 A 102 102 SER CB C 102 64.128 63.639 0.489 1
1 937 . 20 1 1 A 103 103 LYS H H 103 8.524 8.557 -0.033 1
1 938 . 20 1 1 A 103 103 LYS HA H 103 4.305 4.834 -0.529 1
1 947 . 20 1 1 A 103 103 LYS CA C 103 56.788 55.515 1.273 1
1 948 . 20 1 1 A 103 103 LYS CB C 103 32.766 35.542 -2.776 1
1 952 . 20 1 1 A 103 103 LYS N N 103 123.092 127.175 -4.083 1
1 953 . 20 1 1 A 104 104 ASP H H 104 8.316 8.859 -0.543 1
1 954 . 20 1 1 A 104 104 ASP HA H 104 4.612 5.138 -0.526 1
1 957 . 20 1 1 A 104 104 ASP C C 104 176.493 174.310 2.183 1
1 958 . 20 1 1 A 104 104 ASP CA C 104 54.704 53.873 0.831 1
1 959 . 20 1 1 A 104 104 ASP CB C 104 41.277 42.469 -1.192 1
1 960 . 20 1 1 A 104 104 ASP N N 104 120.807 128.343 -7.536 1
1 961 . 20 1 1 A 105 105 SER H H 105 8.215 8.647 -0.432 1
1 962 . 20 1 1 A 105 105 SER HA H 105 4.390 4.890 -0.500 1
1 965 . 20 1 1 A 105 105 SER C C 105 174.659 172.968 1.691 1
1 966 . 20 1 1 A 105 105 SER CA C 105 58.889 57.370 1.519 1
1 967 . 20 1 1 A 105 105 SER CB C 105 63.781 63.917 -0.136 1
1 968 . 20 1 1 A 105 105 SER N N 105 116.100 120.949 -4.849 1
1 969 . 20 1 1 A 106 106 GLN H H 106 8.396 8.694 -0.298 1
1 970 . 20 1 1 A 106 106 GLN HA H 106 4.344 4.784 -0.440 1
1 977 . 20 1 1 A 106 106 GLN C C 106 175.746 176.668 -0.922 1
1 978 . 20 1 1 A 106 106 GLN CA C 106 55.981 55.032 0.949 1
1 979 . 20 1 1 A 106 106 GLN CB C 106 29.351 30.236 -0.885 1
1 981 . 20 1 1 A 106 106 GLN N N 106 121.640 127.612 -5.972 1
1 983 . 20 1 1 A 107 107 LEU H H 107 8.172 8.619 -0.447 1
1 984 . 20 1 1 A 107 107 LEU HA H 107 4.348 4.118 0.230 1
1 994 . 20 1 1 A 107 107 LEU C C 107 176.328 177.110 -0.782 1
1 995 . 20 1 1 A 107 107 LEU CA C 107 55.385 57.330 -1.945 1
1 996 . 20 1 1 A 107 107 LEU CB C 107 42.163 41.944 0.219 1
1 1000 . 20 1 1 A 107 107 LEU N N 107 123.200 124.664 -1.464 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 76 1.257 1
2 1 1 1 "RMS(OBS, PRED)" CA 85 1.400 1
3 1 1 1 "RMS(OBS, PRED)" CB 78 1.324 1
4 1 1 1 "RMS(OBS, PRED)" H 78 0.522 1
5 1 1 1 "RMS(OBS, PRED)" HA 92 0.300 1
6 1 1 1 "RMS(OBS, PRED)" N 78 2.929 1
7 1 2 1 "RMS(OBS, PRED)" C 76 1.265 1
8 1 2 1 "RMS(OBS, PRED)" CA 85 1.318 1
9 1 2 1 "RMS(OBS, PRED)" CB 78 1.281 1
10 1 2 1 "RMS(OBS, PRED)" H 78 0.589 1
11 1 2 1 "RMS(OBS, PRED)" HA 92 0.314 1
12 1 2 1 "RMS(OBS, PRED)" N 78 2.882 1
13 1 3 1 "RMS(OBS, PRED)" C 76 1.306 1
14 1 3 1 "RMS(OBS, PRED)" CA 85 1.333 1
15 1 3 1 "RMS(OBS, PRED)" CB 78 1.245 1
16 1 3 1 "RMS(OBS, PRED)" H 78 0.543 1
17 1 3 1 "RMS(OBS, PRED)" HA 92 0.297 1
18 1 3 1 "RMS(OBS, PRED)" N 78 2.938 1
19 1 4 1 "RMS(OBS, PRED)" C 76 1.233 1
20 1 4 1 "RMS(OBS, PRED)" CA 85 1.384 1
21 1 4 1 "RMS(OBS, PRED)" CB 78 1.463 1
22 1 4 1 "RMS(OBS, PRED)" H 78 0.535 1
23 1 4 1 "RMS(OBS, PRED)" HA 92 0.308 1
24 1 4 1 "RMS(OBS, PRED)" N 78 2.760 1
25 1 5 1 "RMS(OBS, PRED)" C 76 1.310 1
26 1 5 1 "RMS(OBS, PRED)" CA 85 1.568 1
27 1 5 1 "RMS(OBS, PRED)" CB 78 1.236 1
28 1 5 1 "RMS(OBS, PRED)" H 78 0.578 1
29 1 5 1 "RMS(OBS, PRED)" HA 92 0.306 1
30 1 5 1 "RMS(OBS, PRED)" N 78 2.934 1
31 1 6 1 "RMS(OBS, PRED)" C 76 1.174 1
32 1 6 1 "RMS(OBS, PRED)" CA 85 1.326 1
33 1 6 1 "RMS(OBS, PRED)" CB 78 1.303 1
34 1 6 1 "RMS(OBS, PRED)" H 78 0.546 1
35 1 6 1 "RMS(OBS, PRED)" HA 92 0.274 1
36 1 6 1 "RMS(OBS, PRED)" N 78 2.978 1
37 1 7 1 "RMS(OBS, PRED)" C 76 1.324 1
38 1 7 1 "RMS(OBS, PRED)" CA 85 1.461 1
39 1 7 1 "RMS(OBS, PRED)" CB 78 1.345 1
40 1 7 1 "RMS(OBS, PRED)" H 78 0.555 1
41 1 7 1 "RMS(OBS, PRED)" HA 92 0.309 1
42 1 7 1 "RMS(OBS, PRED)" N 78 2.870 1
43 1 8 1 "RMS(OBS, PRED)" C 76 1.266 1
44 1 8 1 "RMS(OBS, PRED)" CA 85 1.424 1
45 1 8 1 "RMS(OBS, PRED)" CB 78 1.278 1
46 1 8 1 "RMS(OBS, PRED)" H 78 0.584 1
47 1 8 1 "RMS(OBS, PRED)" HA 92 0.271 1
48 1 8 1 "RMS(OBS, PRED)" N 78 2.914 1
49 1 9 1 "RMS(OBS, PRED)" C 76 1.289 1
50 1 9 1 "RMS(OBS, PRED)" CA 85 1.438 1
51 1 9 1 "RMS(OBS, PRED)" CB 78 1.345 1
52 1 9 1 "RMS(OBS, PRED)" H 78 0.536 1
53 1 9 1 "RMS(OBS, PRED)" HA 92 0.299 1
54 1 9 1 "RMS(OBS, PRED)" N 78 2.942 1
55 1 10 1 "RMS(OBS, PRED)" C 76 1.225 1
56 1 10 1 "RMS(OBS, PRED)" CA 85 1.362 1
57 1 10 1 "RMS(OBS, PRED)" CB 78 1.327 1
58 1 10 1 "RMS(OBS, PRED)" H 78 0.525 1
59 1 10 1 "RMS(OBS, PRED)" HA 92 0.299 1
60 1 10 1 "RMS(OBS, PRED)" N 78 2.826 1
61 1 11 1 "RMS(OBS, PRED)" C 76 1.338 1
62 1 11 1 "RMS(OBS, PRED)" CA 85 1.367 1
63 1 11 1 "RMS(OBS, PRED)" CB 78 1.226 1
64 1 11 1 "RMS(OBS, PRED)" H 78 0.542 1
65 1 11 1 "RMS(OBS, PRED)" HA 92 0.269 1
66 1 11 1 "RMS(OBS, PRED)" N 78 2.968 1
67 1 12 1 "RMS(OBS, PRED)" C 76 1.210 1
68 1 12 1 "RMS(OBS, PRED)" CA 85 1.410 1
69 1 12 1 "RMS(OBS, PRED)" CB 78 1.216 1
70 1 12 1 "RMS(OBS, PRED)" H 78 0.531 1
71 1 12 1 "RMS(OBS, PRED)" HA 92 0.279 1
72 1 12 1 "RMS(OBS, PRED)" N 78 2.957 1
73 1 13 1 "RMS(OBS, PRED)" C 76 1.237 1
74 1 13 1 "RMS(OBS, PRED)" CA 85 1.432 1
75 1 13 1 "RMS(OBS, PRED)" CB 78 1.471 1
76 1 13 1 "RMS(OBS, PRED)" H 78 0.548 1
77 1 13 1 "RMS(OBS, PRED)" HA 92 0.308 1
78 1 13 1 "RMS(OBS, PRED)" N 78 2.831 1
79 1 14 1 "RMS(OBS, PRED)" C 76 1.255 1
80 1 14 1 "RMS(OBS, PRED)" CA 85 1.442 1
81 1 14 1 "RMS(OBS, PRED)" CB 78 1.178 1
82 1 14 1 "RMS(OBS, PRED)" H 78 0.563 1
83 1 14 1 "RMS(OBS, PRED)" HA 92 0.270 1
84 1 14 1 "RMS(OBS, PRED)" N 78 3.012 1
85 1 15 1 "RMS(OBS, PRED)" C 76 1.241 1
86 1 15 1 "RMS(OBS, PRED)" CA 85 1.406 1
87 1 15 1 "RMS(OBS, PRED)" CB 78 1.286 1
88 1 15 1 "RMS(OBS, PRED)" H 78 0.554 1
89 1 15 1 "RMS(OBS, PRED)" HA 92 0.307 1
90 1 15 1 "RMS(OBS, PRED)" N 78 2.976 1
91 1 16 1 "RMS(OBS, PRED)" C 76 1.187 1
92 1 16 1 "RMS(OBS, PRED)" CA 85 1.396 1
93 1 16 1 "RMS(OBS, PRED)" CB 78 1.471 1
94 1 16 1 "RMS(OBS, PRED)" H 78 0.533 1
95 1 16 1 "RMS(OBS, PRED)" HA 92 0.301 1
96 1 16 1 "RMS(OBS, PRED)" N 78 2.984 1
97 1 17 1 "RMS(OBS, PRED)" C 76 1.265 1
98 1 17 1 "RMS(OBS, PRED)" CA 85 1.401 1
99 1 17 1 "RMS(OBS, PRED)" CB 78 1.361 1
100 1 17 1 "RMS(OBS, PRED)" H 78 0.557 1
101 1 17 1 "RMS(OBS, PRED)" HA 92 0.302 1
102 1 17 1 "RMS(OBS, PRED)" N 78 2.866 1
103 1 18 1 "RMS(OBS, PRED)" C 76 1.262 1
104 1 18 1 "RMS(OBS, PRED)" CA 85 1.388 1
105 1 18 1 "RMS(OBS, PRED)" CB 78 1.243 1
106 1 18 1 "RMS(OBS, PRED)" H 78 0.574 1
107 1 18 1 "RMS(OBS, PRED)" HA 92 0.261 1
108 1 18 1 "RMS(OBS, PRED)" N 78 3.089 1
109 1 19 1 "RMS(OBS, PRED)" C 76 1.284 1
110 1 19 1 "RMS(OBS, PRED)" CA 85 1.324 1
111 1 19 1 "RMS(OBS, PRED)" CB 78 1.296 1
112 1 19 1 "RMS(OBS, PRED)" H 78 0.517 1
113 1 19 1 "RMS(OBS, PRED)" HA 92 0.257 1
114 1 19 1 "RMS(OBS, PRED)" N 78 3.047 1
115 1 20 1 "RMS(OBS, PRED)" C 76 1.376 1
116 1 20 1 "RMS(OBS, PRED)" CA 85 1.438 1
117 1 20 1 "RMS(OBS, PRED)" CB 78 1.374 1
118 1 20 1 "RMS(OBS, PRED)" H 78 0.556 1
119 1 20 1 "RMS(OBS, PRED)" HA 92 0.341 1
120 1 20 1 "RMS(OBS, PRED)" N 78 2.966 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 12 . 1 1 A 22 22 ALA H H 22 8.289 8.332 -0.043 2
1 13 . 1 1 A 22 22 ALA HA H 22 4.277 4.291 -0.014 2
1 17 . 1 1 A 22 22 ALA C C 22 177.730 176.247 1.483 2
1 18 . 1 1 A 22 22 ALA CA C 22 52.742 51.833 0.909 2
1 19 . 1 1 A 22 22 ALA CB C 22 19.263 18.366 0.897 2
1 20 . 1 1 A 22 22 ALA N N 22 125.042 126.600 -1.558 2
1 21 . 1 1 A 23 23 SER H H 23 8.253 8.521 -0.268 2
1 22 . 1 1 A 23 23 SER HA H 23 4.374 5.082 -0.708 2
1 25 . 1 1 A 23 23 SER C C 23 175.066 174.150 0.916 2
1 26 . 1 1 A 23 23 SER CA C 23 58.670 57.335 1.335 2
1 27 . 1 1 A 23 23 SER CB C 23 63.822 66.104 -2.282 2
1 28 . 1 1 A 23 23 SER N N 23 114.713 116.635 -1.922 2
1 29 . 1 1 A 24 24 GLY H H 24 8.368 8.815 -0.447 2
1 30 . 1 1 A 24 24 GLY HA2 H 24 3.945 3.995 -0.050 2
1 31 . 1 1 A 24 24 GLY HA3 H 24 3.886 4.035 -0.149 2
1 32 . 1 1 A 24 24 GLY C C 24 173.906 175.215 -1.309 2
1 33 . 1 1 A 24 24 GLY CA C 24 45.410 46.061 -0.651 2
1 34 . 1 1 A 24 24 GLY N N 24 110.595 113.640 -3.045 2
1 35 . 1 1 A 25 25 TRP H H 25 7.961 8.311 -0.350 2
1 36 . 1 1 A 25 25 TRP HA H 25 4.632 4.575 0.057 2
1 45 . 1 1 A 25 25 TRP C C 25 175.880 177.008 -1.128 2
1 46 . 1 1 A 25 25 TRP CA C 25 57.289 58.855 -1.566 2
1 47 . 1 1 A 25 25 TRP CB C 25 29.725 29.545 0.180 2
1 53 . 1 1 A 25 25 TRP N N 25 120.881 120.569 0.312 2
1 55 . 1 1 A 26 26 ALA H H 26 8.129 7.142 0.987 2
1 56 . 1 1 A 26 26 ALA HA H 26 4.222 4.231 -0.009 2
1 60 . 1 1 A 26 26 ALA C C 26 176.977 176.576 0.401 2
1 61 . 1 1 A 26 26 ALA CA C 26 52.345 51.779 0.566 2
1 62 . 1 1 A 26 26 ALA CB C 26 19.414 19.980 -0.566 2
1 63 . 1 1 A 26 26 ALA N N 26 125.541 120.180 5.361 2
1 64 . 1 1 A 27 27 ASN H H 27 8.139 7.522 0.617 2
1 65 . 1 1 A 27 27 ASN HA H 27 4.581 4.764 -0.183 2
1 70 . 1 1 A 27 27 ASN C C 27 175.044 173.677 1.367 2
1 71 . 1 1 A 27 27 ASN CA C 27 53.260 52.451 0.809 2
1 72 . 1 1 A 27 27 ASN CB C 27 39.022 38.553 0.469 2
1 73 . 1 1 A 27 27 ASN N N 27 117.794 115.416 2.378 2
1 75 . 1 1 A 28 28 ASP H H 28 8.286 8.098 0.188 2
1 76 . 1 1 A 28 28 ASP HA H 28 4.581 4.875 -0.294 2
1 79 . 1 1 A 28 28 ASP C C 28 176.163 175.902 0.261 2
1 80 . 1 1 A 28 28 ASP CA C 28 54.629 53.301 1.328 2
1 81 . 1 1 A 28 28 ASP CB C 28 41.129 43.533 -2.404 2
1 82 . 1 1 A 28 28 ASP N N 28 120.788 122.053 -1.265 2
1 83 . 1 1 A 29 29 ASP H H 29 8.287 8.853 -0.566 2
1 84 . 1 1 A 29 29 ASP HA H 29 4.546 4.356 0.190 2
1 87 . 1 1 A 29 29 ASP C C 29 176.359 177.550 -1.191 2
1 88 . 1 1 A 29 29 ASP CA C 29 54.883 56.964 -2.081 2
1 89 . 1 1 A 29 29 ASP CB C 29 41.050 40.631 0.419 2
1 90 . 1 1 A 29 29 ASP N N 29 120.641 122.816 -2.175 2
1 91 . 1 1 A 30 30 ALA H H 30 8.141 7.728 0.413 2
1 92 . 1 1 A 30 30 ALA HA H 30 4.278 4.239 0.039 2
1 96 . 1 1 A 30 30 ALA C C 30 178.218 178.174 0.044 2
1 97 . 1 1 A 30 30 ALA CA C 30 53.006 53.688 -0.683 2
1 98 . 1 1 A 30 30 ALA CB C 30 19.115 18.364 0.751 2
1 99 . 1 1 A 30 30 ALA N N 30 123.561 120.898 2.663 2
1 100 . 1 1 A 31 31 VAL H H 31 7.996 7.581 0.415 2
1 101 . 1 1 A 31 31 VAL HA H 31 4.010 3.971 0.039 2
1 109 . 1 1 A 31 31 VAL C C 31 175.417 177.606 -2.189 2
1 110 . 1 1 A 31 31 VAL CA C 31 62.896 64.652 -1.756 2
1 111 . 1 1 A 31 31 VAL CB C 31 32.567 32.482 0.085 2
1 114 . 1 1 A 31 31 VAL N N 31 118.676 116.782 1.894 2
1 115 . 1 1 A 32 32 ASN H H 32 8.364 8.117 0.247 2
1 116 . 1 1 A 32 32 ASN HA H 32 4.694 4.436 0.258 2
1 121 . 1 1 A 32 32 ASN C C 32 174.659 177.333 -2.674 2
1 122 . 1 1 A 32 32 ASN CA C 32 53.547 55.904 -2.357 2
1 123 . 1 1 A 32 32 ASN CB C 32 38.939 38.145 0.794 2
1 124 . 1 1 A 32 32 ASN N N 32 121.518 119.050 2.468 2
1 126 . 1 1 A 33 33 GLU H H 33 8.380 8.289 0.091 2
1 127 . 1 1 A 33 33 GLU HA H 33 4.240 4.065 0.175 2
1 132 . 1 1 A 33 33 GLU C C 33 176.641 178.688 -2.047 2
1 133 . 1 1 A 33 33 GLU CA C 33 57.074 58.890 -1.816 2
1 134 . 1 1 A 33 33 GLU CB C 33 30.212 28.701 1.511 2
1 136 . 1 1 A 33 33 GLU N N 33 121.497 118.209 3.288 2
1 137 . 1 1 A 34 34 GLN H H 34 8.333 7.720 0.613 2
1 138 . 1 1 A 34 34 GLN HA H 34 4.315 4.157 0.158 2
1 145 . 1 1 A 34 34 GLN C C 34 176.325 178.254 -1.929 2
1 146 . 1 1 A 34 34 GLN CA C 34 56.232 58.320 -2.088 2
1 147 . 1 1 A 34 34 GLN CB C 34 29.304 28.370 0.934 2
1 149 . 1 1 A 34 34 GLN N N 34 120.891 118.903 1.988 2
1 151 . 1 1 A 35 35 ILE H H 35 8.155 7.523 0.632 2
1 152 . 1 1 A 35 35 ILE HA H 35 4.116 3.999 0.117 2
1 162 . 1 1 A 35 35 ILE C C 35 176.203 176.641 -0.438 2
1 163 . 1 1 A 35 35 ILE CA C 35 61.645 63.761 -2.116 2
1 164 . 1 1 A 35 35 ILE CB C 35 38.640 37.868 0.772 2
1 168 . 1 1 A 35 35 ILE N N 35 121.784 118.833 2.951 2
1 169 . 1 1 A 36 36 ASN H H 36 8.504 7.751 0.753 2
1 170 . 1 1 A 36 36 ASN HA H 36 4.760 4.662 0.098 2
1 175 . 1 1 A 36 36 ASN C C 36 175.468 176.110 -0.642 2
1 176 . 1 1 A 36 36 ASN CA C 36 53.504 53.327 0.177 2
1 177 . 1 1 A 36 36 ASN CB C 36 38.947 39.027 -0.080 2
1 178 . 1 1 A 36 36 ASN N N 36 122.204 120.134 2.070 2
1 180 . 1 1 A 37 37 SER H H 37 8.380 8.524 -0.144 2
1 181 . 1 1 A 37 37 SER HA H 37 4.505 4.470 0.035 2
1 184 . 1 1 A 37 37 SER C C 37 174.990 175.608 -0.618 2
1 185 . 1 1 A 37 37 SER CA C 37 58.963 59.895 -0.932 2
1 186 . 1 1 A 37 37 SER CB C 37 63.760 62.904 0.856 2
1 187 . 1 1 A 37 37 SER N N 37 116.788 117.149 -0.361 2
1 188 . 1 1 A 38 38 THR H H 38 8.302 7.739 0.563 2
1 189 . 1 1 A 38 38 THR HA H 38 4.369 4.017 0.352 2
1 194 . 1 1 A 38 38 THR C C 38 175.437 176.858 -1.421 2
1 195 . 1 1 A 38 38 THR CA C 38 62.751 66.524 -3.773 2
1 196 . 1 1 A 38 38 THR CB C 38 69.838 68.324 1.514 2
1 198 . 1 1 A 38 38 THR N N 38 116.285 115.937 0.348 2
1 199 . 1 1 A 39 39 ILE H H 39 8.153 7.832 0.321 2
1 200 . 1 1 A 39 39 ILE HA H 39 4.080 3.587 0.493 2
1 210 . 1 1 A 39 39 ILE C C 39 176.850 178.217 -1.367 2
1 211 . 1 1 A 39 39 ILE CA C 39 62.295 65.272 -2.977 2
1 212 . 1 1 A 39 39 ILE CB C 39 38.373 37.532 0.840 2
1 216 . 1 1 A 39 39 ILE N N 39 123.148 121.541 1.607 2
1 217 . 1 1 A 40 40 GLU H H 40 8.438 8.439 -0.001 2
1 218 . 1 1 A 40 40 GLU HA H 40 4.146 4.065 0.081 2
1 223 . 1 1 A 40 40 GLU C C 40 177.573 178.616 -1.043 2
1 224 . 1 1 A 40 40 GLU CA C 40 58.026 58.957 -0.931 2
1 225 . 1 1 A 40 40 GLU CB C 40 29.870 28.964 0.906 2
1 227 . 1 1 A 40 40 GLU N N 40 123.184 120.407 2.777 2
1 228 . 1 1 A 41 41 ASP H H 41 8.295 8.060 0.235 2
1 229 . 1 1 A 41 41 ASP HA H 41 4.512 4.375 0.137 2
1 232 . 1 1 A 41 41 ASP C C 41 176.856 178.252 -1.396 2
1 233 . 1 1 A 41 41 ASP CA C 41 55.563 57.462 -1.899 2
1 234 . 1 1 A 41 41 ASP CB C 41 41.080 41.083 -0.003 2
1 235 . 1 1 A 41 41 ASP N N 41 121.311 120.862 0.449 2
1 236 . 1 1 A 42 42 ALA H H 42 8.098 7.731 0.367 2
1 237 . 1 1 A 42 42 ALA HA H 42 4.153 4.092 0.061 2
1 241 . 1 1 A 42 42 ALA C C 42 179.658 180.241 -0.583 2
1 242 . 1 1 A 42 42 ALA CA C 42 54.315 55.096 -0.781 2
1 243 . 1 1 A 42 42 ALA CB C 42 18.765 18.316 0.449 2
1 244 . 1 1 A 42 42 ALA N N 42 123.411 121.377 2.034 2
1 245 . 1 1 A 43 43 ILE H H 43 8.047 7.627 0.420 2
1 246 . 1 1 A 43 43 ILE HA H 43 3.904 3.768 0.136 2
1 256 . 1 1 A 43 43 ILE C C 43 176.603 178.053 -1.450 2
1 257 . 1 1 A 43 43 ILE CA C 43 63.028 64.522 -1.494 2
1 258 . 1 1 A 43 43 ILE CB C 43 38.140 37.163 0.977 2
1 262 . 1 1 A 43 43 ILE N N 43 119.853 118.530 1.323 2
1 263 . 1 1 A 44 44 ALA H H 44 8.072 7.989 0.083 2
1 264 . 1 1 A 44 44 ALA HA H 44 4.162 4.048 0.114 2
1 268 . 1 1 A 44 44 ALA C C 44 179.414 179.488 -0.074 2
1 269 . 1 1 A 44 44 ALA CA C 44 54.011 55.217 -1.206 2
1 270 . 1 1 A 44 44 ALA CB C 44 18.614 18.168 0.446 2
1 271 . 1 1 A 44 44 ALA N N 44 124.814 123.162 1.652 2
1 272 . 1 1 A 45 45 ARG H H 45 8.177 7.923 0.254 2
1 273 . 1 1 A 45 45 ARG HA H 45 4.187 4.163 0.024 2
1 280 . 1 1 A 45 45 ARG C C 45 177.629 178.464 -0.835 2
1 281 . 1 1 A 45 45 ARG CA C 45 57.569 57.812 -0.243 2
1 282 . 1 1 A 45 45 ARG CB C 45 30.600 29.966 0.634 2
1 285 . 1 1 A 45 45 ARG N N 45 118.718 116.597 2.121 2
1 286 . 1 1 A 46 46 ALA H H 46 8.004 7.598 0.406 2
1 287 . 1 1 A 46 46 ALA HA H 46 4.274 4.190 0.084 2
1 291 . 1 1 A 46 46 ALA C C 46 178.519 178.483 0.036 2
1 292 . 1 1 A 46 46 ALA CA C 46 53.339 54.776 -1.437 2
1 293 . 1 1 A 46 46 ALA CB C 46 18.827 19.276 -0.449 2
1 294 . 1 1 A 46 46 ALA N N 46 123.416 122.493 0.923 2
1 295 . 1 1 A 47 47 ARG H H 47 8.082 7.601 0.481 2
1 296 . 1 1 A 47 47 ARG HA H 47 4.285 4.475 -0.190 2
1 303 . 1 1 A 47 47 ARG C C 47 177.103 176.764 0.339 2
1 304 . 1 1 A 47 47 ARG CA C 47 56.871 55.092 1.779 2
1 305 . 1 1 A 47 47 ARG CB C 47 30.655 31.636 -0.981 2
1 308 . 1 1 A 47 47 ARG N N 47 118.672 113.348 5.324 2
1 309 . 1 1 A 48 48 GLY H H 48 8.160 7.754 0.406 2
1 310 . 1 1 A 48 48 GLY HA2 H 48 3.976 3.948 0.028 2
1 311 . 1 1 A 48 48 GLY HA3 H 48 3.976 3.949 0.027 2
1 312 . 1 1 A 48 48 GLY C C 48 174.015 174.914 -0.899 2
1 313 . 1 1 A 48 48 GLY CA C 48 45.337 46.350 -1.013 2
1 314 . 1 1 A 48 48 GLY N N 48 108.533 109.319 -0.786 2
1 315 . 1 1 A 49 49 GLU H H 49 8.113 7.966 0.147 2
1 316 . 1 1 A 49 49 GLU HA H 49 4.317 4.168 0.149 2
1 321 . 1 1 A 49 49 GLU C C 49 176.216 176.616 -0.400 2
1 322 . 1 1 A 49 49 GLU CA C 49 56.125 58.648 -2.523 2
1 323 . 1 1 A 49 49 GLU CB C 49 30.497 30.449 0.048 2
1 325 . 1 1 A 49 49 GLU N N 49 120.272 120.910 -0.638 2
1 326 . 1 1 A 50 50 ILE H H 50 8.203 7.879 0.324 2
1 327 . 1 1 A 50 50 ILE HA H 50 4.419 4.275 0.144 2
1 337 . 1 1 A 50 50 ILE CA C 50 58.687 59.653 -0.966 2
1 338 . 1 1 A 50 50 ILE CB C 50 38.623 38.465 0.158 2
1 342 . 1 1 A 50 50 ILE N N 50 123.785 120.117 3.668 2
1 343 . 1 1 A 51 51 PRO HA H 51 4.414 4.664 -0.250 2
1 350 . 1 1 A 51 51 PRO C C 51 176.785 176.491 0.294 2
1 351 . 1 1 A 51 51 PRO CA C 51 63.188 62.299 0.889 2
1 352 . 1 1 A 51 51 PRO CB C 51 32.210 33.169 -0.959 2
1 355 . 1 1 A 52 52 ARG H H 52 8.545 8.694 -0.149 2
1 356 . 1 1 A 52 52 ARG HA H 52 4.300 4.346 -0.046 2
1 363 . 1 1 A 52 52 ARG C C 52 176.985 176.503 0.482 2
1 364 . 1 1 A 52 52 ARG CA C 52 56.493 56.030 0.463 2
1 365 . 1 1 A 52 52 ARG CB C 52 30.944 29.456 1.488 2
1 368 . 1 1 A 52 52 ARG N N 52 122.009 120.204 1.805 2
1 369 . 1 1 A 53 53 GLY H H 53 8.504 8.054 0.450 2
1 370 . 1 1 A 53 53 GLY HA2 H 53 3.995 3.962 0.033 2
1 371 . 1 1 A 53 53 GLY HA3 H 53 3.934 3.962 -0.028 2
1 372 . 1 1 A 53 53 GLY C C 53 173.562 174.223 -0.661 2
1 373 . 1 1 A 53 53 GLY CA C 53 44.990 45.906 -0.916 2
1 374 . 1 1 A 53 53 GLY N N 53 110.270 109.116 1.154 2
1 375 . 1 1 A 54 54 GLU H H 54 8.216 8.015 0.201 2
1 376 . 1 1 A 54 54 GLU HA H 54 4.364 4.566 -0.202 2
1 381 . 1 1 A 54 54 GLU C C 54 177.145 176.064 1.081 2
1 382 . 1 1 A 54 54 GLU CA C 54 55.883 55.832 0.051 2
1 383 . 1 1 A 54 54 GLU CB C 54 30.696 30.851 -0.155 2
1 385 . 1 1 A 54 54 GLU N N 54 119.939 119.785 0.154 2
1 386 . 1 1 A 55 55 SER H H 55 8.916 8.443 0.473 2
1 387 . 1 1 A 55 55 SER HA H 55 4.544 4.481 0.063 2
1 390 . 1 1 A 55 55 SER C C 55 174.434 174.661 -0.227 2
1 391 . 1 1 A 55 55 SER CA C 55 58.592 58.999 -0.407 2
1 392 . 1 1 A 55 55 SER CB C 55 63.662 63.619 0.043 2
1 393 . 1 1 A 55 55 SER N N 55 118.742 116.603 2.139 2
1 394 . 1 1 A 56 56 LEU H H 56 8.598 8.014 0.584 2
1 395 . 1 1 A 56 56 LEU HA H 56 4.343 4.682 -0.339 2
1 405 . 1 1 A 56 56 LEU C C 56 176.024 176.601 -0.577 2
1 406 . 1 1 A 56 56 LEU CA C 56 54.782 53.399 1.383 2
1 407 . 1 1 A 56 56 LEU CB C 56 42.106 44.050 -1.944 2
1 411 . 1 1 A 56 56 LEU N N 56 125.386 122.908 2.478 2
1 412 . 1 1 A 57 57 ASP H H 57 8.211 8.641 -0.430 2
1 413 . 1 1 A 57 57 ASP HA H 57 4.545 4.839 -0.294 2
1 416 . 1 1 A 57 57 ASP C C 57 176.869 175.342 1.527 2
1 417 . 1 1 A 57 57 ASP CA C 57 54.978 53.929 1.049 2
1 418 . 1 1 A 57 57 ASP CB C 57 41.477 41.637 -0.160 2
1 419 . 1 1 A 57 57 ASP N N 57 115.979 117.572 -1.593 2
1 420 . 1 1 A 58 58 GLU H H 58 7.469 7.725 -0.256 2
1 421 . 1 1 A 58 58 GLU HA H 58 4.717 4.689 0.028 2
1 426 . 1 1 A 58 58 GLU C C 58 174.081 175.244 -1.163 2
1 427 . 1 1 A 58 58 GLU CA C 58 54.280 54.975 -0.695 2
1 428 . 1 1 A 58 58 GLU CB C 58 32.995 31.669 1.326 2
1 430 . 1 1 A 58 58 GLU N N 58 118.912 118.477 0.435 2
1 431 . 1 1 A 59 59 CYS H H 59 9.364 8.671 0.693 2
1 432 . 1 1 A 59 59 CYS HA H 59 4.248 4.360 -0.112 2
1 435 . 1 1 A 59 59 CYS C C 59 178.266 176.464 1.802 2
1 436 . 1 1 A 59 59 CYS CA C 59 59.782 60.232 -0.450 2
1 437 . 1 1 A 59 59 CYS CB C 59 31.041 28.982 2.059 2
1 438 . 1 1 A 59 59 CYS N N 59 124.760 125.248 -0.488 2
1 439 . 1 1 A 60 60 GLU H H 60 9.202 8.865 0.337 2
1 440 . 1 1 A 60 60 GLU HA H 60 4.202 4.091 0.111 2
1 445 . 1 1 A 60 60 GLU C C 60 175.834 177.761 -1.927 2
1 446 . 1 1 A 60 60 GLU CA C 60 58.503 58.417 0.086 2
1 447 . 1 1 A 60 60 GLU CB C 60 30.041 28.887 1.154 2
1 449 . 1 1 A 60 60 GLU N N 60 130.690 127.005 3.685 2
1 450 . 1 1 A 61 61 GLU H H 61 8.751 7.660 1.091 2
1 451 . 1 1 A 61 61 GLU HA H 61 4.542 4.324 0.218 2
1 456 . 1 1 A 61 61 GLU C C 61 177.312 178.215 -0.903 2
1 457 . 1 1 A 61 61 GLU CA C 61 58.094 58.334 -0.240 2
1 458 . 1 1 A 61 61 GLU CB C 61 31.037 30.722 0.315 2
1 460 . 1 1 A 61 61 GLU N N 61 120.904 118.337 2.567 2
1 461 . 1 1 A 62 62 CYS H H 62 8.401 7.511 0.890 2
1 462 . 1 1 A 62 62 CYS HA H 62 5.014 4.611 0.404 2
1 465 . 1 1 A 62 62 CYS C C 62 177.324 175.623 1.701 2
1 466 . 1 1 A 62 62 CYS CA C 62 59.127 58.540 0.587 2
1 467 . 1 1 A 62 62 CYS CB C 62 33.355 29.094 4.261 2
1 468 . 1 1 A 62 62 CYS N N 62 117.947 114.130 3.817 2
1 469 . 1 1 A 63 63 GLY H H 63 8.048 8.042 0.006 2
1 470 . 1 1 A 63 63 GLY HA2 H 63 4.234 3.933 0.301 2
1 471 . 1 1 A 63 63 GLY HA3 H 63 3.820 3.936 -0.116 2
1 472 . 1 1 A 63 63 GLY C C 63 172.914 174.875 -1.961 2
1 473 . 1 1 A 63 63 GLY CA C 63 46.163 46.628 -0.465 2
1 474 . 1 1 A 63 63 GLY N N 63 113.407 111.269 2.138 2
1 475 . 1 1 A 64 64 ALA H H 64 9.148 8.027 1.121 2
1 476 . 1 1 A 64 64 ALA HA H 64 4.536 4.468 0.068 2
1 480 . 1 1 A 64 64 ALA CA C 64 51.510 50.658 0.852 2
1 481 . 1 1 A 64 64 ALA CB C 64 19.099 19.153 -0.054 2
1 482 . 1 1 A 64 64 ALA N N 64 127.297 123.481 3.816 2
1 483 . 1 1 A 65 65 PRO HA H 65 4.583 4.498 0.085 2
1 490 . 1 1 A 65 65 PRO C C 65 177.423 176.845 0.578 2
1 491 . 1 1 A 65 65 PRO CA C 65 63.020 63.163 -0.143 2
1 492 . 1 1 A 65 65 PRO CB C 65 31.832 31.659 0.173 2
1 495 . 1 1 A 66 66 ILE H H 66 8.053 8.179 -0.126 2
1 496 . 1 1 A 66 66 ILE HA H 66 4.330 4.292 0.038 2
1 506 . 1 1 A 66 66 ILE CA C 66 58.847 59.963 -1.116 2
1 507 . 1 1 A 66 66 ILE CB C 66 38.162 38.229 -0.067 2
1 511 . 1 1 A 66 66 ILE N N 66 125.090 124.076 1.014 2
1 512 . 1 1 A 67 67 PRO HA H 67 4.447 4.665 -0.218 2
1 519 . 1 1 A 67 67 PRO C C 67 177.325 177.766 -0.441 2
1 520 . 1 1 A 67 67 PRO CA C 67 62.883 62.517 0.366 2
1 521 . 1 1 A 67 67 PRO CB C 67 32.692 32.637 0.055 2
1 524 . 1 1 A 68 68 GLN H H 68 8.982 8.600 0.382 2
1 525 . 1 1 A 68 68 GLN HA H 68 3.791 3.981 -0.190 2
1 532 . 1 1 A 68 68 GLN C C 68 177.316 178.131 -0.815 2
1 533 . 1 1 A 68 68 GLN CA C 68 59.491 58.360 1.131 2
1 534 . 1 1 A 68 68 GLN CB C 68 27.882 28.056 -0.174 2
1 536 . 1 1 A 68 68 GLN N N 68 124.876 122.088 2.788 2
1 538 . 1 1 A 69 69 ALA H H 69 8.892 8.338 0.554 2
1 539 . 1 1 A 69 69 ALA HA H 69 4.100 4.021 0.079 2
1 543 . 1 1 A 69 69 ALA C C 69 180.347 179.682 0.665 2
1 544 . 1 1 A 69 69 ALA CA C 69 55.209 55.183 0.026 2
1 545 . 1 1 A 69 69 ALA CB C 69 18.097 18.231 -0.134 2
1 546 . 1 1 A 69 69 ALA N N 69 118.268 123.182 -4.914 2
1 547 . 1 1 A 70 70 ARG H H 70 7.020 7.684 -0.664 2
1 548 . 1 1 A 70 70 ARG HA H 70 4.234 4.082 0.152 2
1 555 . 1 1 A 70 70 ARG C C 70 176.438 178.709 -2.271 2
1 556 . 1 1 A 70 70 ARG CA C 70 58.791 59.221 -0.430 2
1 557 . 1 1 A 70 70 ARG CB C 70 29.544 29.778 -0.234 2
1 560 . 1 1 A 70 70 ARG N N 70 119.170 117.516 1.654 2
1 561 . 1 1 A 71 71 ARG H H 71 7.754 7.502 0.252 2
1 562 . 1 1 A 71 71 ARG HA H 71 3.807 4.151 -0.344 2
1 569 . 1 1 A 71 71 ARG C C 71 179.191 178.552 0.639 2
1 570 . 1 1 A 71 71 ARG CA C 71 59.782 59.291 0.491 2
1 571 . 1 1 A 71 71 ARG CB C 71 30.564 29.945 0.619 2
1 574 . 1 1 A 71 71 ARG N N 71 116.460 118.968 -2.508 2
1 575 . 1 1 A 72 72 GLU H H 72 8.062 8.048 0.014 2
1 576 . 1 1 A 72 72 GLU HA H 72 4.014 4.118 -0.104 2
1 581 . 1 1 A 72 72 GLU C C 72 177.357 178.888 -1.531 2
1 582 . 1 1 A 72 72 GLU CA C 72 57.860 59.082 -1.222 2
1 583 . 1 1 A 72 72 GLU CB C 72 29.978 29.418 0.560 2
1 585 . 1 1 A 72 72 GLU N N 72 114.904 118.553 -3.649 2
1 586 . 1 1 A 73 73 ALA H H 73 7.686 7.552 0.134 2
1 587 . 1 1 A 73 73 ALA HA H 73 4.199 4.160 0.039 2
1 591 . 1 1 A 73 73 ALA C C 73 178.246 177.615 0.631 2
1 592 . 1 1 A 73 73 ALA CA C 73 54.110 54.572 -0.462 2
1 593 . 1 1 A 73 73 ALA CB C 73 19.546 19.188 0.358 2
1 594 . 1 1 A 73 73 ALA N N 73 120.673 121.178 -0.505 2
1 595 . 1 1 A 74 74 ILE H H 74 7.609 7.892 -0.283 2
1 596 . 1 1 A 74 74 ILE HA H 74 4.318 4.458 -0.140 2
1 606 . 1 1 A 74 74 ILE CA C 74 57.722 57.890 -0.168 2
1 607 . 1 1 A 74 74 ILE CB C 74 38.313 39.242 -0.928 2
1 611 . 1 1 A 74 74 ILE N N 74 117.475 118.041 -0.566 2
1 612 . 1 1 A 75 75 PRO HA H 75 4.267 4.414 -0.147 2
1 619 . 1 1 A 75 75 PRO C C 75 179.050 177.604 1.446 2
1 620 . 1 1 A 75 75 PRO CA C 75 63.966 63.390 0.576 2
1 621 . 1 1 A 75 75 PRO CB C 75 31.409 30.686 0.723 2
1 624 . 1 1 A 76 76 GLY H H 76 8.594 8.595 -0.001 2
1 625 . 1 1 A 76 76 GLY HA2 H 76 4.081 3.983 0.098 2
1 626 . 1 1 A 76 76 GLY HA3 H 76 3.402 3.984 -0.582 2
1 627 . 1 1 A 76 76 GLY C C 76 174.447 174.610 -0.163 2
1 628 . 1 1 A 76 76 GLY CA C 76 45.138 45.647 -0.509 2
1 629 . 1 1 A 76 76 GLY N N 76 113.042 112.227 0.815 2
1 630 . 1 1 A 77 77 VAL H H 77 8.185 7.591 0.594 2
1 631 . 1 1 A 77 77 VAL HA H 77 3.955 4.122 -0.167 2
1 639 . 1 1 A 77 77 VAL C C 77 173.122 175.709 -2.587 2
1 640 . 1 1 A 77 77 VAL CA C 77 63.160 62.194 0.966 2
1 641 . 1 1 A 77 77 VAL CB C 77 30.748 32.570 -1.822 2
1 644 . 1 1 A 77 77 VAL N N 77 124.214 120.307 3.907 2
1 645 . 1 1 A 78 78 ARG H H 78 8.635 8.820 -0.185 2
1 646 . 1 1 A 78 78 ARG HA H 78 4.547 4.689 -0.142 2
1 653 . 1 1 A 78 78 ARG C C 78 173.948 175.723 -1.775 2
1 654 . 1 1 A 78 78 ARG CA C 78 55.410 55.648 -0.238 2
1 655 . 1 1 A 78 78 ARG CB C 78 33.618 31.662 1.956 2
1 658 . 1 1 A 78 78 ARG N N 78 121.505 125.050 -3.545 2
1 659 . 1 1 A 79 79 LEU H H 79 7.037 7.594 -0.557 2
1 660 . 1 1 A 79 79 LEU HA H 79 6.078 4.820 1.258 2
1 670 . 1 1 A 79 79 LEU C C 79 178.615 176.336 2.279 2
1 671 . 1 1 A 79 79 LEU CA C 79 52.286 53.132 -0.846 2
1 672 . 1 1 A 79 79 LEU CB C 79 46.763 44.908 1.855 2
1 676 . 1 1 A 79 79 LEU N N 79 116.511 120.581 -4.070 2
1 677 . 1 1 A 80 80 CYS H H 80 9.639 8.624 1.015 2
1 678 . 1 1 A 80 80 CYS HA H 80 4.595 4.573 0.022 2
1 681 . 1 1 A 80 80 CYS C C 80 174.898 175.423 -0.525 2
1 682 . 1 1 A 80 80 CYS CA C 80 57.983 58.588 -0.605 2
1 683 . 1 1 A 80 80 CYS CB C 80 31.306 29.421 1.885 2
1 684 . 1 1 A 80 80 CYS N N 80 121.517 123.347 -1.830 2
1 685 . 1 1 A 81 81 ILE H H 81 9.215 8.544 0.671 2
1 686 . 1 1 A 81 81 ILE HA H 81 3.836 3.851 -0.015 2
1 696 . 1 1 A 81 81 ILE C C 81 176.081 177.423 -1.342 2
1 697 . 1 1 A 81 81 ILE CA C 81 63.715 64.207 -0.492 2
1 698 . 1 1 A 81 81 ILE CB C 81 38.309 37.790 0.519 2
1 702 . 1 1 A 81 81 ILE N N 81 119.426 123.049 -3.623 2
1 703 . 1 1 A 82 82 HIS H H 82 7.439 7.780 -0.341 2
1 704 . 1 1 A 82 82 HIS HA H 82 4.354 4.368 -0.014 2
1 709 . 1 1 A 82 82 HIS C C 82 178.603 178.148 0.455 2
1 710 . 1 1 A 82 82 HIS CA C 82 59.802 59.457 0.345 2
1 711 . 1 1 A 82 82 HIS CB C 82 30.164 29.850 0.314 2
1 714 . 1 1 A 82 82 HIS N N 82 122.605 119.316 3.289 2
1 715 . 1 1 A 83 83 CYS H H 83 8.960 8.130 0.830 2
1 716 . 1 1 A 83 83 CYS HA H 83 3.995 4.401 -0.406 2
1 719 . 1 1 A 83 83 CYS C C 83 178.676 177.158 1.518 2
1 720 . 1 1 A 83 83 CYS CA C 83 64.648 61.588 3.060 2
1 721 . 1 1 A 83 83 CYS CB C 83 29.618 26.690 2.928 2
1 722 . 1 1 A 83 83 CYS N N 83 124.742 117.903 6.839 2
1 723 . 1 1 A 84 84 GLN H H 84 8.525 8.105 0.420 2
1 724 . 1 1 A 84 84 GLN HA H 84 3.812 4.068 -0.256 2
1 731 . 1 1 A 84 84 GLN C C 84 177.478 178.153 -0.675 2
1 732 . 1 1 A 84 84 GLN CA C 84 58.750 58.917 -0.167 2
1 733 . 1 1 A 84 84 GLN CB C 84 28.372 28.668 -0.296 2
1 735 . 1 1 A 84 84 GLN N N 84 120.642 121.416 -0.774 2
1 737 . 1 1 A 85 85 GLN H H 85 8.100 8.140 -0.040 2
1 738 . 1 1 A 85 85 GLN HA H 85 4.117 4.029 0.088 2
1 745 . 1 1 A 85 85 GLN C C 85 178.483 177.866 0.617 2
1 746 . 1 1 A 85 85 GLN CA C 85 58.857 58.679 0.178 2
1 747 . 1 1 A 85 85 GLN CB C 85 28.261 28.476 -0.215 2
1 749 . 1 1 A 85 85 GLN N N 85 118.154 117.605 0.549 2
1 751 . 1 1 A 86 86 GLU H H 86 7.657 8.281 -0.624 2
1 752 . 1 1 A 86 86 GLU HA H 86 4.049 4.071 -0.021 2
1 757 . 1 1 A 86 86 GLU C C 86 178.798 178.497 0.301 2
1 758 . 1 1 A 86 86 GLU CA C 86 58.852 59.395 -0.543 2
1 759 . 1 1 A 86 86 GLU CB C 86 29.716 29.198 0.518 2
1 761 . 1 1 A 86 86 GLU N N 86 118.055 118.933 -0.878 2
1 762 . 1 1 A 87 87 LYS H H 87 7.799 7.847 -0.048 2
1 763 . 1 1 A 87 87 LYS HA H 87 4.056 4.141 -0.085 2
1 772 . 1 1 A 87 87 LYS C C 87 179.025 179.305 -0.280 2
1 773 . 1 1 A 87 87 LYS CA C 87 58.452 58.953 -0.501 2
1 774 . 1 1 A 87 87 LYS CB C 87 32.067 32.100 -0.033 2
1 778 . 1 1 A 87 87 LYS N N 87 119.741 119.390 0.351 2
1 779 . 1 1 A 88 88 ASP H H 88 8.300 8.196 0.104 2
1 780 . 1 1 A 88 88 ASP HA H 88 4.461 4.422 0.039 2
1 783 . 1 1 A 88 88 ASP C C 88 177.597 178.234 -0.637 2
1 784 . 1 1 A 88 88 ASP CA C 88 56.228 56.736 -0.508 2
1 785 . 1 1 A 88 88 ASP CB C 88 40.500 41.436 -0.936 2
1 786 . 1 1 A 88 88 ASP N N 88 119.700 119.778 -0.078 2
1 787 . 1 1 A 89 89 LEU H H 89 7.672 7.878 -0.206 2
1 788 . 1 1 A 89 89 LEU HA H 89 4.227 4.058 0.169 2
1 798 . 1 1 A 89 89 LEU C C 89 177.757 178.543 -0.786 2
1 799 . 1 1 A 89 89 LEU CA C 89 55.938 57.241 -1.303 2
1 800 . 1 1 A 89 89 LEU CB C 89 42.267 41.436 0.831 2
1 804 . 1 1 A 89 89 LEU N N 89 119.729 118.819 0.910 2
1 805 . 1 1 A 90 90 GLN H H 90 7.823 7.509 0.314 2
1 806 . 1 1 A 90 90 GLN HA H 90 4.264 4.352 -0.088 2
1 813 . 1 1 A 90 90 GLN C C 90 175.896 176.198 -0.302 2
1 814 . 1 1 A 90 90 GLN CA C 90 55.828 56.530 -0.702 2
1 815 . 1 1 A 90 90 GLN CB C 90 28.871 29.206 -0.335 2
1 817 . 1 1 A 90 90 GLN N N 90 118.133 116.181 1.952 2
1 819 . 1 1 A 91 91 LYS H H 91 8.016 7.209 0.807 2
1 820 . 1 1 A 91 91 LYS HA H 91 4.561 4.430 0.131 2
1 829 . 1 1 A 91 91 LYS CA C 91 54.567 54.697 -0.130 2
1 830 . 1 1 A 91 91 LYS CB C 91 32.373 32.393 -0.020 2
1 834 . 1 1 A 91 91 LYS N N 91 122.571 120.073 2.498 2
1 835 . 1 1 A 92 92 PRO HA H 92 4.372 4.362 0.010 2
1 842 . 1 1 A 92 92 PRO C C 92 176.665 177.028 -0.363 2
1 843 . 1 1 A 92 92 PRO CA C 92 63.251 64.309 -1.058 2
1 844 . 1 1 A 92 92 PRO CB C 92 32.073 31.718 0.355 2
1 847 . 1 1 A 93 93 ALA H H 93 8.364 7.903 0.461 2
1 848 . 1 1 A 93 93 ALA HA H 93 4.245 3.974 0.271 2
1 852 . 1 1 A 93 93 ALA C C 93 177.504 175.748 1.756 2
1 853 . 1 1 A 93 93 ALA CA C 93 52.458 53.853 -1.395 2
1 854 . 1 1 A 93 93 ALA CB C 93 19.247 17.967 1.280 2
1 855 . 1 1 A 93 93 ALA N N 93 123.718 119.496 4.222 2
1 856 . 1 1 A 94 94 TYR H H 94 8.153 7.359 0.794 2
1 857 . 1 1 A 94 94 TYR HA H 94 4.626 5.026 -0.400 2
1 864 . 1 1 A 94 94 TYR C C 94 176.141 174.225 1.916 2
1 865 . 1 1 A 94 94 TYR CA C 94 57.859 56.039 1.820 2
1 866 . 1 1 A 94 94 TYR CB C 94 38.793 40.709 -1.916 2
1 871 . 1 1 A 94 94 TYR N N 94 119.293 113.097 6.196 2
1 872 . 1 1 A 95 95 THR H H 95 8.119 8.752 -0.633 2
1 873 . 1 1 A 95 95 THR HA H 95 4.286 4.801 -0.515 2
1 878 . 1 1 A 95 95 THR C C 95 174.813 174.746 0.067 2
1 879 . 1 1 A 95 95 THR CA C 95 61.758 61.220 0.538 2
1 880 . 1 1 A 95 95 THR CB C 95 69.860 70.354 -0.494 2
1 882 . 1 1 A 95 95 THR N N 95 115.890 113.084 2.806 2
1 883 . 1 1 A 96 96 GLY H H 96 7.669 8.738 -1.069 2
1 884 . 1 1 A 96 96 GLY HA2 H 96 3.875 4.066 -0.191 2
1 885 . 1 1 A 96 96 GLY HA3 H 96 3.822 4.179 -0.357 2
1 886 . 1 1 A 96 96 GLY C C 96 173.774 173.833 -0.059 2
1 887 . 1 1 A 96 96 GLY CA C 96 45.320 46.249 -0.929 2
1 888 . 1 1 A 96 96 GLY N N 96 110.133 111.868 -1.735 2
1 889 . 1 1 A 97 97 TYR H H 97 8.028 7.762 0.266 2
1 890 . 1 1 A 97 97 TYR HA H 97 4.510 4.938 -0.428 2
1 897 . 1 1 A 97 97 TYR CA C 97 58.115 56.871 1.244 2
1 898 . 1 1 A 97 97 TYR CB C 97 38.769 40.372 -1.603 2
1 903 . 1 1 A 97 97 TYR N N 97 119.945 118.893 1.052 2
1 904 . 1 1 A 98 98 ASN HA H 98 4.641 4.886 -0.245 2
1 909 . 1 1 A 98 98 ASN C C 98 174.882 174.581 0.301 2
1 910 . 1 1 A 98 98 ASN CA C 98 53.067 53.345 -0.278 2
1 911 . 1 1 A 98 98 ASN CB C 98 38.835 38.484 0.351 2
1 913 . 1 1 A 99 99 ARG H H 99 8.226 8.393 -0.167 2
1 914 . 1 1 A 99 99 ARG HA H 99 4.259 4.714 -0.455 2
1 921 . 1 1 A 99 99 ARG C C 99 176.406 175.487 0.919 2
1 922 . 1 1 A 99 99 ARG CA C 99 56.464 55.062 1.402 2
1 923 . 1 1 A 99 99 ARG CB C 99 30.588 31.462 -0.874 2
1 926 . 1 1 A 99 99 ARG N N 99 121.620 122.803 -1.183 2
1 927 . 1 1 A 100 100 ARG H H 100 8.398 8.518 -0.120 2
1 928 . 1 1 A 100 100 ARG N N 100 121.935 123.358 -1.423 2
1 929 . 1 1 A 101 101 GLY HA2 H 101 3.835 3.974 -0.139 2
1 930 . 1 1 A 101 101 GLY HA3 H 101 3.835 3.985 -0.150 2
1 931 . 1 1 A 101 101 GLY CA C 101 43.935 46.297 -2.362 2
1 932 . 1 1 A 102 102 SER HA H 102 4.460 4.693 -0.233 2
1 935 . 1 1 A 102 102 SER CA C 102 58.458 57.750 0.708 2
1 936 . 1 1 A 102 102 SER CB C 102 64.128 63.446 0.682 2
1 937 . 1 1 A 103 103 LYS H H 103 8.524 8.439 0.085 2
1 938 . 1 1 A 103 103 LYS HA H 103 4.305 4.536 -0.231 2
1 947 . 1 1 A 103 103 LYS CA C 103 56.788 56.156 0.632 2
1 948 . 1 1 A 103 103 LYS CB C 103 32.766 33.909 -1.143 2
1 952 . 1 1 A 103 103 LYS N N 103 123.092 123.863 -0.771 2
1 953 . 1 1 A 104 104 ASP H H 104 8.316 8.575 -0.259 2
1 954 . 1 1 A 104 104 ASP HA H 104 4.612 4.787 -0.175 2
1 957 . 1 1 A 104 104 ASP C C 104 176.493 175.603 0.890 2
1 958 . 1 1 A 104 104 ASP CA C 104 54.704 54.071 0.633 2
1 959 . 1 1 A 104 104 ASP CB C 104 41.277 41.112 0.165 2
1 960 . 1 1 A 104 104 ASP N N 104 120.807 123.797 -2.990 2
1 961 . 1 1 A 105 105 SER H H 105 8.215 8.591 -0.376 2
1 962 . 1 1 A 105 105 SER HA H 105 4.390 4.773 -0.383 2
1 965 . 1 1 A 105 105 SER C C 105 174.659 173.484 1.175 2
1 966 . 1 1 A 105 105 SER CA C 105 58.889 57.609 1.280 2
1 967 . 1 1 A 105 105 SER CB C 105 63.781 64.065 -0.284 2
1 968 . 1 1 A 105 105 SER N N 105 116.100 119.545 -3.445 2
1 969 . 1 1 A 106 106 GLN H H 106 8.396 7.929 0.467 2
1 970 . 1 1 A 106 106 GLN HA H 106 4.344 4.659 -0.315 2
1 977 . 1 1 A 106 106 GLN C C 106 175.746 175.723 0.023 2
1 978 . 1 1 A 106 106 GLN CA C 106 55.981 55.126 0.855 2
1 979 . 1 1 A 106 106 GLN CB C 106 29.351 30.373 -1.022 2
1 981 . 1 1 A 106 106 GLN N N 106 121.640 121.666 -0.026 2
1 983 . 1 1 A 107 107 LEU H H 107 8.172 8.441 -0.269 2
1 984 . 1 1 A 107 107 LEU HA H 107 4.348 4.464 -0.116 2
1 994 . 1 1 A 107 107 LEU C C 107 176.328 176.703 -0.375 2
1 995 . 1 1 A 107 107 LEU CA C 107 55.385 54.695 0.690 2
1 996 . 1 1 A 107 107 LEU CB C 107 42.163 41.693 0.470 2
1 1000 . 1 1 A 107 107 LEU N N 107 123.200 121.062 2.138 2
stop_
save_