data_10225_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10225
_Entry.PDB_ID 2EMW
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 6 6 SER HA H 6 4.443 4.817 -0.374 1
1 4 . 1 1 1 A 6 6 SER C C 6 174.977 174.722 0.255 1
1 5 . 1 1 1 A 6 6 SER CA C 6 58.518 56.867 1.651 1
1 6 . 1 1 1 A 6 6 SER CB C 6 63.628 62.826 0.802 1
1 7 . 1 1 1 A 7 7 GLY H H 7 8.375 8.148 0.227 1
1 8 . 1 1 1 A 7 7 GLY HA2 H 7 3.943 4.012 -0.069 1
1 9 . 1 1 1 A 7 7 GLY HA3 H 7 3.943 4.018 -0.075 1
1 10 . 1 1 1 A 7 7 GLY C C 7 174.013 172.980 1.033 1
1 11 . 1 1 1 A 7 7 GLY CA C 7 45.265 45.658 -0.393 1
1 12 . 1 1 1 A 7 7 GLY N N 7 110.641 110.521 0.120 1
1 13 . 1 1 1 A 8 8 GLU H H 8 8.221 8.606 -0.385 1
1 14 . 1 1 1 A 8 8 GLU HA H 8 4.211 4.882 -0.671 1
1 19 . 1 1 1 A 8 8 GLU C C 8 176.367 176.227 0.140 1
1 20 . 1 1 1 A 8 8 GLU CA C 8 56.659 55.005 1.654 1
1 21 . 1 1 1 A 8 8 GLU CB C 8 30.440 32.373 -1.933 1
1 23 . 1 1 1 A 8 8 GLU N N 8 120.286 118.851 1.435 1
1 24 . 1 1 1 A 9 9 LYS H H 9 8.366 8.966 -0.600 1
1 25 . 1 1 1 A 9 9 LYS HA H 9 4.523 4.248 0.275 1
1 34 . 1 1 1 A 9 9 LYS C C 9 174.265 177.094 -2.829 1
1 35 . 1 1 1 A 9 9 LYS CA C 9 53.760 57.148 -3.388 1
1 36 . 1 1 1 A 9 9 LYS CB C 9 32.697 30.085 2.612 1
1 40 . 1 1 1 A 9 9 LYS N N 9 122.243 122.702 -0.459 1
1 41 . 1 1 1 A 10 10 PRO HA H 10 4.279 4.477 -0.198 1
1 48 . 1 1 1 A 10 10 PRO C C 10 176.457 175.801 0.656 1
1 49 . 1 1 1 A 10 10 PRO CA C 10 63.415 64.827 -1.412 1
1 50 . 1 1 1 A 10 10 PRO CB C 10 32.074 31.471 0.603 1
1 53 . 1 1 1 A 11 11 TYR H H 11 8.273 7.720 0.553 1
1 54 . 1 1 1 A 11 11 TYR HA H 11 4.715 4.972 -0.257 1
1 61 . 1 1 1 A 11 11 TYR C C 11 174.995 175.901 -0.906 1
1 62 . 1 1 1 A 11 11 TYR CA C 11 56.584 56.650 -0.066 1
1 63 . 1 1 1 A 11 11 TYR CB C 11 38.169 40.916 -2.747 1
1 68 . 1 1 1 A 11 11 TYR N N 11 118.862 118.913 -0.051 1
1 69 . 1 1 1 A 12 12 GLY H H 12 8.221 8.778 -0.557 1
1 70 . 1 1 1 A 12 12 GLY HA2 H 12 3.613 4.453 -0.840 1
1 71 . 1 1 1 A 12 12 GLY HA3 H 12 4.865 4.560 0.305 1
1 72 . 1 1 1 A 12 12 GLY C C 12 173.074 172.030 1.044 1
1 73 . 1 1 1 A 12 12 GLY CA C 12 44.870 45.702 -0.832 1
1 74 . 1 1 1 A 12 12 GLY N N 12 110.093 108.932 1.161 1
1 75 . 1 1 1 A 13 13 CYS H H 13 9.115 8.998 0.117 1
1 76 . 1 1 1 A 13 13 CYS HA H 13 4.665 5.073 -0.408 1
1 79 . 1 1 1 A 13 13 CYS C C 13 177.041 175.201 1.840 1
1 80 . 1 1 1 A 13 13 CYS CA C 13 58.883 57.645 1.238 1
1 81 . 1 1 1 A 13 13 CYS CB C 13 29.920 30.180 -0.260 1
1 82 . 1 1 1 A 13 13 CYS N N 13 123.945 118.594 5.351 1
1 83 . 1 1 1 A 14 14 ASN H H 14 9.374 9.129 0.245 1
1 84 . 1 1 1 A 14 14 ASN HA H 14 4.550 4.428 0.122 1
1 89 . 1 1 1 A 14 14 ASN C C 14 175.484 177.257 -1.773 1
1 90 . 1 1 1 A 14 14 ASN CA C 14 55.420 56.213 -0.793 1
1 91 . 1 1 1 A 14 14 ASN CB C 14 38.238 38.453 -0.215 1
1 92 . 1 1 1 A 14 14 ASN N N 14 129.983 127.056 2.927 1
1 94 . 1 1 1 A 15 15 GLU H H 15 8.645 8.429 0.216 1
1 95 . 1 1 1 A 15 15 GLU HA H 15 4.212 3.945 0.267 1
1 100 . 1 1 1 A 15 15 GLU C C 15 177.052 178.137 -1.085 1
1 101 . 1 1 1 A 15 15 GLU CA C 15 58.326 59.327 -1.001 1
1 102 . 1 1 1 A 15 15 GLU CB C 15 29.466 29.025 0.441 1
1 104 . 1 1 1 A 15 15 GLU N N 15 120.926 118.571 2.355 1
1 105 . 1 1 1 A 16 16 CYS H H 16 7.846 8.035 -0.189 1
1 106 . 1 1 1 A 16 16 CYS HA H 16 5.144 4.679 0.465 1
1 109 . 1 1 1 A 16 16 CYS C C 16 176.147 175.415 0.732 1
1 110 . 1 1 1 A 16 16 CYS CA C 16 58.213 59.716 -1.503 1
1 111 . 1 1 1 A 16 16 CYS CB C 16 32.251 29.982 2.269 1
1 112 . 1 1 1 A 16 16 CYS N N 16 114.327 114.924 -0.597 1
1 113 . 1 1 1 A 17 17 GLY H H 17 8.188 7.953 0.235 1
1 114 . 1 1 1 A 17 17 GLY HA2 H 17 3.875 4.056 -0.181 1
1 115 . 1 1 1 A 17 17 GLY HA3 H 17 4.202 4.066 0.136 1
1 116 . 1 1 1 A 17 17 GLY C C 17 174.225 174.354 -0.129 1
1 117 . 1 1 1 A 17 17 GLY CA C 17 46.360 45.409 0.951 1
1 118 . 1 1 1 A 17 17 GLY N N 17 113.009 110.267 2.742 1
1 119 . 1 1 1 A 18 18 LYS H H 18 7.801 7.473 0.328 1
1 120 . 1 1 1 A 18 18 LYS HA H 18 4.087 4.621 -0.534 1
1 129 . 1 1 1 A 18 18 LYS C C 18 173.597 174.688 -1.091 1
1 130 . 1 1 1 A 18 18 LYS CA C 18 57.553 55.110 2.443 1
1 131 . 1 1 1 A 18 18 LYS CB C 18 34.123 34.183 -0.060 1
1 135 . 1 1 1 A 18 18 LYS N N 18 122.310 121.185 1.125 1
1 136 . 1 1 1 A 19 19 ASP H H 19 7.782 8.488 -0.706 1
1 137 . 1 1 1 A 19 19 ASP HA H 19 5.140 5.474 -0.334 1
1 140 . 1 1 1 A 19 19 ASP C C 19 174.660 174.153 0.507 1
1 141 . 1 1 1 A 19 19 ASP CA C 19 52.887 52.334 0.553 1
1 142 . 1 1 1 A 19 19 ASP CB C 19 43.759 44.115 -0.356 1
1 143 . 1 1 1 A 19 19 ASP N N 19 118.910 121.595 -2.685 1
1 144 . 1 1 1 A 20 20 PHE H H 20 8.207 8.825 -0.618 1
1 145 . 1 1 1 A 20 20 PHE HA H 20 4.735 4.944 -0.209 1
1 153 . 1 1 1 A 20 20 PHE C C 20 175.997 175.955 0.042 1
1 154 . 1 1 1 A 20 20 PHE CA C 20 57.637 56.811 0.826 1
1 155 . 1 1 1 A 20 20 PHE CB C 20 43.683 42.542 1.141 1
1 161 . 1 1 1 A 20 20 PHE N N 20 116.189 121.213 -5.024 1
1 162 . 1 1 1 A 21 21 SER H H 21 9.247 8.957 0.290 1
1 163 . 1 1 1 A 21 21 SER HA H 21 4.557 4.836 -0.279 1
1 166 . 1 1 1 A 21 21 SER C C 21 173.988 173.360 0.628 1
1 167 . 1 1 1 A 21 21 SER CA C 21 59.854 58.431 1.423 1
1 168 . 1 1 1 A 21 21 SER CB C 21 63.994 63.807 0.187 1
1 169 . 1 1 1 A 21 21 SER N N 21 114.221 116.554 -2.333 1
1 170 . 1 1 1 A 22 22 SER H H 22 7.490 7.780 -0.290 1
1 171 . 1 1 1 A 22 22 SER HA H 22 4.473 4.794 -0.321 1
1 174 . 1 1 1 A 22 22 SER C C 22 173.228 173.962 -0.734 1
1 175 . 1 1 1 A 22 22 SER CA C 22 56.284 57.834 -1.550 1
1 176 . 1 1 1 A 22 22 SER CB C 22 66.196 67.092 -0.896 1
1 177 . 1 1 1 A 22 22 SER N N 22 113.081 116.853 -3.772 1
1 178 . 1 1 1 A 23 23 LYS H H 23 8.298 8.241 0.057 1
1 179 . 1 1 1 A 23 23 LYS HA H 23 3.376 3.249 0.127 1
1 188 . 1 1 1 A 23 23 LYS C C 23 177.950 177.270 0.680 1
1 189 . 1 1 1 A 23 23 LYS CA C 23 58.783 59.066 -0.283 1
1 190 . 1 1 1 A 23 23 LYS CB C 23 31.851 31.519 0.332 1
1 194 . 1 1 1 A 23 23 LYS N N 23 124.483 126.020 -1.537 1
1 195 . 1 1 1 A 24 24 SER H H 24 8.124 7.614 0.510 1
1 196 . 1 1 1 A 24 24 SER HA H 24 3.971 4.005 -0.034 1
1 199 . 1 1 1 A 24 24 SER C C 24 176.849 176.629 0.220 1
1 200 . 1 1 1 A 24 24 SER CA C 24 61.969 61.381 0.588 1
1 201 . 1 1 1 A 24 24 SER CB C 24 61.969 62.894 -0.925 1
1 202 . 1 1 1 A 24 24 SER N N 24 113.002 114.206 -1.204 1
1 203 . 1 1 1 A 25 25 TYR H H 25 7.305 8.104 -0.799 1
1 204 . 1 1 1 A 25 25 TYR HA H 25 4.325 4.316 0.009 1
1 211 . 1 1 1 A 25 25 TYR C C 25 178.583 177.839 0.744 1
1 212 . 1 1 1 A 25 25 TYR CA C 25 59.396 60.547 -1.151 1
1 213 . 1 1 1 A 25 25 TYR CB C 25 37.560 37.961 -0.401 1
1 218 . 1 1 1 A 25 25 TYR N N 25 119.444 120.168 -0.724 1
1 219 . 1 1 1 A 26 26 LEU H H 26 7.358 7.361 -0.003 1
1 220 . 1 1 1 A 26 26 LEU HA H 26 3.339 2.711 0.628 1
1 230 . 1 1 1 A 26 26 LEU C C 26 177.371 178.442 -1.071 1
1 231 . 1 1 1 A 26 26 LEU CA C 26 58.191 57.697 0.494 1
1 232 . 1 1 1 A 26 26 LEU CB C 26 40.695 41.653 -0.958 1
1 236 . 1 1 1 A 26 26 LEU N N 26 122.536 120.326 2.210 1
1 237 . 1 1 1 A 27 27 ILE H H 27 8.225 8.014 0.211 1
1 238 . 1 1 1 A 27 27 ILE HA H 27 3.778 3.590 0.188 1
1 248 . 1 1 1 A 27 27 ILE C C 27 179.086 178.565 0.521 1
1 249 . 1 1 1 A 27 27 ILE CA C 27 64.790 65.271 -0.481 1
1 250 . 1 1 1 A 27 27 ILE CB C 27 37.725 37.596 0.129 1
1 254 . 1 1 1 A 27 27 ILE N N 27 119.370 119.713 -0.343 1
1 255 . 1 1 1 A 28 28 VAL H H 28 7.394 8.257 -0.863 1
1 256 . 1 1 1 A 28 28 VAL HA H 28 3.507 3.537 -0.030 1
1 264 . 1 1 1 A 28 28 VAL C C 28 178.897 178.303 0.594 1
1 265 . 1 1 1 A 28 28 VAL CA C 28 66.606 66.218 0.388 1
1 266 . 1 1 1 A 28 28 VAL CB C 28 31.929 31.495 0.434 1
1 269 . 1 1 1 A 28 28 VAL N N 28 118.982 120.299 -1.317 1
1 270 . 1 1 1 A 29 29 HIS H H 29 7.587 8.007 -0.420 1
1 271 . 1 1 1 A 29 29 HIS HA H 29 4.134 4.194 -0.060 1
1 276 . 1 1 1 A 29 29 HIS C C 29 176.397 176.966 -0.569 1
1 277 . 1 1 1 A 29 29 HIS CA C 29 59.312 59.541 -0.229 1
1 278 . 1 1 1 A 29 29 HIS CB C 29 27.959 29.562 -1.603 1
1 281 . 1 1 1 A 29 29 HIS N N 29 119.908 119.652 0.256 1
1 282 . 1 1 1 A 30 30 GLN H H 30 8.502 8.540 -0.038 1
1 283 . 1 1 1 A 30 30 GLN HA H 30 3.615 4.007 -0.392 1
1 290 . 1 1 1 A 30 30 GLN C C 30 177.427 178.615 -1.188 1
1 291 . 1 1 1 A 30 30 GLN CA C 30 59.579 59.331 0.248 1
1 292 . 1 1 1 A 30 30 GLN CB C 30 28.227 28.320 -0.093 1
1 294 . 1 1 1 A 30 30 GLN N N 30 115.041 117.358 -2.317 1
1 296 . 1 1 1 A 31 31 ARG H H 31 7.242 7.969 -0.727 1
1 297 . 1 1 1 A 31 31 ARG HA H 31 4.142 4.044 0.098 1
1 304 . 1 1 1 A 31 31 ARG C C 31 178.802 178.942 -0.140 1
1 305 . 1 1 1 A 31 31 ARG CA C 31 58.548 59.019 -0.471 1
1 306 . 1 1 1 A 31 31 ARG CB C 31 30.083 29.820 0.263 1
1 309 . 1 1 1 A 31 31 ARG N N 31 118.327 119.793 -1.466 1
1 310 . 1 1 1 A 32 32 ILE H H 32 7.871 8.175 -0.304 1
1 311 . 1 1 1 A 32 32 ILE HA H 32 3.947 3.733 0.214 1
1 321 . 1 1 1 A 32 32 ILE C C 32 177.496 177.613 -0.117 1
1 322 . 1 1 1 A 32 32 ILE CA C 32 63.124 63.623 -0.499 1
1 323 . 1 1 1 A 32 32 ILE CB C 32 37.609 37.167 0.442 1
1 327 . 1 1 1 A 32 32 ILE N N 32 116.287 118.209 -1.922 1
1 328 . 1 1 1 A 33 33 HIS H H 33 7.158 7.410 -0.252 1
1 329 . 1 1 1 A 33 33 HIS HA H 33 4.846 4.492 0.354 1
1 334 . 1 1 1 A 33 33 HIS C C 33 176.000 175.923 0.077 1
1 335 . 1 1 1 A 33 33 HIS CA C 33 55.125 58.859 -3.734 1
1 336 . 1 1 1 A 33 33 HIS CB C 33 28.536 30.297 -1.761 1
1 339 . 1 1 1 A 33 33 HIS N N 33 117.660 119.768 -2.108 1
1 340 . 1 1 1 A 34 34 THR H H 34 7.811 7.396 0.415 1
1 341 . 1 1 1 A 34 34 THR HA H 34 4.320 3.900 0.420 1
1 346 . 1 1 1 A 34 34 THR C C 34 175.641 175.711 -0.070 1
1 347 . 1 1 1 A 34 34 THR CA C 34 62.869 63.566 -0.697 1
1 348 . 1 1 1 A 34 34 THR CB C 34 69.771 69.059 0.712 1
1 350 . 1 1 1 A 34 34 THR N N 34 112.089 112.711 -0.622 1
1 351 . 1 1 1 A 35 35 GLY H H 35 8.210 8.944 -0.734 1
1 352 . 1 1 1 A 35 35 GLY HA2 H 35 4.019 3.964 0.055 1
1 353 . 1 1 1 A 35 35 GLY HA3 H 35 3.944 3.966 -0.022 1
1 354 . 1 1 1 A 35 35 GLY C C 35 174.359 174.184 0.175 1
1 355 . 1 1 1 A 35 35 GLY CA C 35 45.494 45.808 -0.314 1
1 356 . 1 1 1 A 35 35 GLY N N 35 110.437 116.051 -5.614 1
1 357 . 1 1 1 A 36 36 GLU H H 36 8.085 7.824 0.261 1
1 358 . 1 1 1 A 36 36 GLU HA H 36 4.214 4.598 -0.384 1
1 363 . 1 1 1 A 36 36 GLU C C 36 176.485 175.453 1.032 1
1 364 . 1 1 1 A 36 36 GLU CA C 36 56.691 55.059 1.632 1
1 365 . 1 1 1 A 36 36 GLU CB C 36 30.455 29.804 0.651 1
1 367 . 1 1 1 A 36 36 GLU N N 36 120.789 120.571 0.218 1
1 368 . 1 1 1 A 37 37 LYS H H 37 8.316 8.467 -0.151 1
1 369 . 1 1 1 A 37 37 LYS HA H 37 4.313 4.274 0.039 1
1 378 . 1 1 1 A 37 37 LYS C C 37 176.554 177.555 -1.001 1
1 379 . 1 1 1 A 37 37 LYS CA C 37 56.270 56.622 -0.352 1
1 380 . 1 1 1 A 37 37 LYS CB C 37 32.830 33.729 -0.899 1
1 384 . 1 1 1 A 37 37 LYS N N 37 122.204 129.322 -7.118 1
1 385 . 1 1 1 A 38 38 LEU H H 38 8.295 8.661 -0.366 1
1 386 . 1 1 1 A 38 38 LEU HA H 38 4.390 4.107 0.283 1
1 396 . 1 1 1 A 38 38 LEU C C 38 177.408 176.919 0.489 1
1 397 . 1 1 1 A 38 38 LEU CA C 38 55.081 57.566 -2.485 1
1 398 . 1 1 1 A 38 38 LEU CB C 38 42.248 41.919 0.329 1
1 402 . 1 1 1 A 38 38 LEU N N 38 123.561 122.971 0.590 1
1 403 . 1 1 1 A 39 39 SER H H 39 8.293 7.576 0.717 1
1 404 . 1 1 1 A 39 39 SER HA H 39 4.487 4.253 0.234 1
1 407 . 1 1 1 A 39 39 SER C C 39 174.479 174.109 0.370 1
1 408 . 1 1 1 A 39 39 SER CA C 39 58.221 59.712 -1.491 1
1 409 . 1 1 1 A 39 39 SER CB C 39 63.918 63.158 0.760 1
1 410 . 1 1 1 A 39 39 SER N N 39 116.483 116.645 -0.162 1
1 411 . 1 1 1 A 40 40 GLY H H 40 8.210 8.255 -0.045 1
1 412 . 1 1 1 A 40 40 GLY HA2 H 40 4.163 4.201 -0.038 1
1 413 . 1 1 1 A 40 40 GLY HA3 H 40 4.097 4.201 -0.104 1
1 414 . 1 1 1 A 40 40 GLY C C 40 171.732 174.254 -2.522 1
1 415 . 1 1 1 A 40 40 GLY CA C 40 44.672 45.016 -0.344 1
1 416 . 1 1 1 A 40 40 GLY N N 40 110.630 114.039 -3.409 1
1 417 . 1 1 1 A 41 41 PRO HA H 41 4.476 4.403 0.073 1
1 424 . 1 1 1 A 41 41 PRO C C 41 177.357 177.062 0.295 1
1 425 . 1 1 1 A 41 41 PRO CA C 41 63.215 64.296 -1.081 1
1 426 . 1 1 1 A 41 41 PRO CB C 41 32.212 31.833 0.379 1
1 429 . 1 1 1 A 42 42 SER H H 42 8.535 8.249 0.286 1
1 430 . 1 1 1 A 42 42 SER HA H 42 4.470 4.740 -0.270 1
1 433 . 1 1 1 A 42 42 SER C C 42 174.589 174.981 -0.392 1
1 434 . 1 1 1 A 42 42 SER CA C 42 58.435 56.959 1.476 1
1 435 . 1 1 1 A 42 42 SER CB C 42 63.984 63.695 0.289 1
1 436 . 1 1 1 A 42 42 SER N N 42 116.375 112.911 3.464 1
1 437 . 1 1 1 A 43 43 SER H H 43 8.303 8.013 0.290 1
1 438 . 1 1 1 A 43 43 SER HA H 43 4.457 4.202 0.255 1
1 441 . 1 1 1 A 43 43 SER C C 43 173.896 176.452 -2.556 1
1 442 . 1 1 1 A 43 43 SER CA C 43 58.281 61.922 -3.641 1
1 443 . 1 1 1 A 43 43 SER CB C 43 64.036 63.135 0.901 1
1 444 . 1 1 1 A 43 43 SER N N 43 117.817 119.835 -2.018 1
1 1 . 2 1 1 A 6 6 SER HA H 6 4.443 4.765 -0.322 1
1 4 . 2 1 1 A 6 6 SER C C 6 174.977 175.245 -0.268 1
1 5 . 2 1 1 A 6 6 SER CA C 6 58.518 57.286 1.232 1
1 6 . 2 1 1 A 6 6 SER CB C 6 63.628 63.463 0.165 1
1 7 . 2 1 1 A 7 7 GLY H H 7 8.375 7.493 0.882 1
1 8 . 2 1 1 A 7 7 GLY HA2 H 7 3.943 4.123 -0.180 1
1 9 . 2 1 1 A 7 7 GLY HA3 H 7 3.943 4.128 -0.185 1
1 10 . 2 1 1 A 7 7 GLY C C 7 174.013 173.510 0.503 1
1 11 . 2 1 1 A 7 7 GLY CA C 7 45.265 45.663 -0.398 1
1 12 . 2 1 1 A 7 7 GLY N N 7 110.641 108.848 1.793 1
1 13 . 2 1 1 A 8 8 GLU H H 8 8.221 7.766 0.455 1
1 14 . 2 1 1 A 8 8 GLU HA H 8 4.211 4.598 -0.387 1
1 19 . 2 1 1 A 8 8 GLU C C 8 176.367 176.182 0.185 1
1 20 . 2 1 1 A 8 8 GLU CA C 8 56.659 55.219 1.440 1
1 21 . 2 1 1 A 8 8 GLU CB C 8 30.440 30.842 -0.402 1
1 23 . 2 1 1 A 8 8 GLU N N 8 120.286 119.907 0.379 1
1 24 . 2 1 1 A 9 9 LYS H H 9 8.366 8.682 -0.316 1
1 25 . 2 1 1 A 9 9 LYS HA H 9 4.523 4.059 0.464 1
1 34 . 2 1 1 A 9 9 LYS C C 9 174.265 176.286 -2.021 1
1 35 . 2 1 1 A 9 9 LYS CA C 9 53.760 56.790 -3.030 1
1 36 . 2 1 1 A 9 9 LYS CB C 9 32.697 30.334 2.363 1
1 40 . 2 1 1 A 9 9 LYS N N 9 122.243 123.252 -1.009 1
1 41 . 2 1 1 A 10 10 PRO HA H 10 4.279 4.432 -0.153 1
1 48 . 2 1 1 A 10 10 PRO C C 10 176.457 175.829 0.628 1
1 49 . 2 1 1 A 10 10 PRO CA C 10 63.415 64.904 -1.489 1
1 50 . 2 1 1 A 10 10 PRO CB C 10 32.074 31.500 0.574 1
1 53 . 2 1 1 A 11 11 TYR H H 11 8.273 7.709 0.564 1
1 54 . 2 1 1 A 11 11 TYR HA H 11 4.715 4.997 -0.282 1
1 61 . 2 1 1 A 11 11 TYR C C 11 174.995 175.930 -0.935 1
1 62 . 2 1 1 A 11 11 TYR CA C 11 56.584 56.559 0.025 1
1 63 . 2 1 1 A 11 11 TYR CB C 11 38.169 40.884 -2.715 1
1 68 . 2 1 1 A 11 11 TYR N N 11 118.862 118.638 0.224 1
1 69 . 2 1 1 A 12 12 GLY H H 12 8.221 8.834 -0.613 1
1 70 . 2 1 1 A 12 12 GLY HA2 H 12 3.613 4.510 -0.897 1
1 71 . 2 1 1 A 12 12 GLY HA3 H 12 4.865 4.653 0.212 1
1 72 . 2 1 1 A 12 12 GLY C C 12 173.074 172.077 0.997 1
1 73 . 2 1 1 A 12 12 GLY CA C 12 44.870 45.543 -0.673 1
1 74 . 2 1 1 A 12 12 GLY N N 12 110.093 109.939 0.154 1
1 75 . 2 1 1 A 13 13 CYS H H 13 9.115 9.031 0.084 1
1 76 . 2 1 1 A 13 13 CYS HA H 13 4.665 5.328 -0.663 1
1 79 . 2 1 1 A 13 13 CYS C C 13 177.041 175.243 1.798 1
1 80 . 2 1 1 A 13 13 CYS CA C 13 58.883 57.601 1.282 1
1 81 . 2 1 1 A 13 13 CYS CB C 13 29.920 30.663 -0.743 1
1 82 . 2 1 1 A 13 13 CYS N N 13 123.945 118.092 5.853 1
1 83 . 2 1 1 A 14 14 ASN H H 14 9.374 9.210 0.164 1
1 84 . 2 1 1 A 14 14 ASN HA H 14 4.550 4.740 -0.190 1
1 89 . 2 1 1 A 14 14 ASN C C 14 175.484 177.391 -1.907 1
1 90 . 2 1 1 A 14 14 ASN CA C 14 55.420 54.682 0.738 1
1 91 . 2 1 1 A 14 14 ASN CB C 14 38.238 39.279 -1.041 1
1 92 . 2 1 1 A 14 14 ASN N N 14 129.983 126.239 3.744 1
1 94 . 2 1 1 A 15 15 GLU H H 15 8.645 8.203 0.442 1
1 95 . 2 1 1 A 15 15 GLU HA H 15 4.212 3.950 0.262 1
1 100 . 2 1 1 A 15 15 GLU C C 15 177.052 178.097 -1.045 1
1 101 . 2 1 1 A 15 15 GLU CA C 15 58.326 58.680 -0.354 1
1 102 . 2 1 1 A 15 15 GLU CB C 15 29.466 28.585 0.881 1
1 104 . 2 1 1 A 15 15 GLU N N 15 120.926 118.592 2.334 1
1 105 . 2 1 1 A 16 16 CYS H H 16 7.846 7.960 -0.114 1
1 106 . 2 1 1 A 16 16 CYS HA H 16 5.144 4.656 0.488 1
1 109 . 2 1 1 A 16 16 CYS C C 16 176.147 175.359 0.788 1
1 110 . 2 1 1 A 16 16 CYS CA C 16 58.213 59.677 -1.464 1
1 111 . 2 1 1 A 16 16 CYS CB C 16 32.251 29.835 2.416 1
1 112 . 2 1 1 A 16 16 CYS N N 16 114.327 114.901 -0.574 1
1 113 . 2 1 1 A 17 17 GLY H H 17 8.188 8.230 -0.042 1
1 114 . 2 1 1 A 17 17 GLY HA2 H 17 3.875 4.068 -0.193 1
1 115 . 2 1 1 A 17 17 GLY HA3 H 17 4.202 4.083 0.119 1
1 116 . 2 1 1 A 17 17 GLY C C 17 174.225 174.407 -0.182 1
1 117 . 2 1 1 A 17 17 GLY CA C 17 46.360 45.353 1.007 1
1 118 . 2 1 1 A 17 17 GLY N N 17 113.009 110.337 2.672 1
1 119 . 2 1 1 A 18 18 LYS H H 18 7.801 7.929 -0.128 1
1 120 . 2 1 1 A 18 18 LYS HA H 18 4.087 4.626 -0.539 1
1 129 . 2 1 1 A 18 18 LYS C C 18 173.597 174.893 -1.296 1
1 130 . 2 1 1 A 18 18 LYS CA C 18 57.553 55.148 2.405 1
1 131 . 2 1 1 A 18 18 LYS CB C 18 34.123 34.141 -0.018 1
1 135 . 2 1 1 A 18 18 LYS N N 18 122.310 121.372 0.938 1
1 136 . 2 1 1 A 19 19 ASP H H 19 7.782 8.121 -0.339 1
1 137 . 2 1 1 A 19 19 ASP HA H 19 5.140 5.553 -0.413 1
1 140 . 2 1 1 A 19 19 ASP C C 19 174.660 174.434 0.226 1
1 141 . 2 1 1 A 19 19 ASP CA C 19 52.887 52.605 0.282 1
1 142 . 2 1 1 A 19 19 ASP CB C 19 43.759 44.580 -0.821 1
1 143 . 2 1 1 A 19 19 ASP N N 19 118.910 123.860 -4.950 1
1 144 . 2 1 1 A 20 20 PHE H H 20 8.207 8.775 -0.568 1
1 145 . 2 1 1 A 20 20 PHE HA H 20 4.735 4.988 -0.253 1
1 153 . 2 1 1 A 20 20 PHE C C 20 175.997 175.792 0.205 1
1 154 . 2 1 1 A 20 20 PHE CA C 20 57.637 56.723 0.914 1
1 155 . 2 1 1 A 20 20 PHE CB C 20 43.683 42.089 1.594 1
1 161 . 2 1 1 A 20 20 PHE N N 20 116.189 121.547 -5.358 1
1 162 . 2 1 1 A 21 21 SER H H 21 9.247 8.939 0.308 1
1 163 . 2 1 1 A 21 21 SER HA H 21 4.557 4.496 0.061 1
1 166 . 2 1 1 A 21 21 SER C C 21 173.988 174.050 -0.062 1
1 167 . 2 1 1 A 21 21 SER CA C 21 59.854 61.730 -1.876 1
1 168 . 2 1 1 A 21 21 SER CB C 21 63.994 63.472 0.522 1
1 169 . 2 1 1 A 21 21 SER N N 21 114.221 120.411 -6.190 1
1 170 . 2 1 1 A 22 22 SER H H 22 7.490 7.913 -0.423 1
1 171 . 2 1 1 A 22 22 SER HA H 22 4.473 4.608 -0.135 1
1 174 . 2 1 1 A 22 22 SER C C 22 173.228 173.938 -0.710 1
1 175 . 2 1 1 A 22 22 SER CA C 22 56.284 56.425 -0.141 1
1 176 . 2 1 1 A 22 22 SER CB C 22 66.196 64.885 1.311 1
1 177 . 2 1 1 A 22 22 SER N N 22 113.081 115.571 -2.490 1
1 178 . 2 1 1 A 23 23 LYS H H 23 8.298 8.560 -0.262 1
1 179 . 2 1 1 A 23 23 LYS HA H 23 3.376 3.364 0.012 1
1 188 . 2 1 1 A 23 23 LYS C C 23 177.950 178.193 -0.243 1
1 189 . 2 1 1 A 23 23 LYS CA C 23 58.783 58.201 0.582 1
1 190 . 2 1 1 A 23 23 LYS CB C 23 31.851 31.687 0.164 1
1 194 . 2 1 1 A 23 23 LYS N N 23 124.483 126.963 -2.480 1
1 195 . 2 1 1 A 24 24 SER H H 24 8.124 7.743 0.381 1
1 196 . 2 1 1 A 24 24 SER HA H 24 3.971 4.061 -0.090 1
1 199 . 2 1 1 A 24 24 SER C C 24 176.849 176.234 0.615 1
1 200 . 2 1 1 A 24 24 SER CA C 24 61.969 61.036 0.933 1
1 201 . 2 1 1 A 24 24 SER CB C 24 61.969 62.333 -0.364 1
1 202 . 2 1 1 A 24 24 SER N N 24 113.002 115.232 -2.230 1
1 203 . 2 1 1 A 25 25 TYR H H 25 7.305 7.979 -0.674 1
1 204 . 2 1 1 A 25 25 TYR HA H 25 4.325 4.431 -0.106 1
1 211 . 2 1 1 A 25 25 TYR C C 25 178.583 178.019 0.564 1
1 212 . 2 1 1 A 25 25 TYR CA C 25 59.396 60.785 -1.389 1
1 213 . 2 1 1 A 25 25 TYR CB C 25 37.560 37.988 -0.428 1
1 218 . 2 1 1 A 25 25 TYR N N 25 119.444 119.458 -0.014 1
1 219 . 2 1 1 A 26 26 LEU H H 26 7.358 7.887 -0.529 1
1 220 . 2 1 1 A 26 26 LEU HA H 26 3.339 2.881 0.458 1
1 230 . 2 1 1 A 26 26 LEU C C 26 177.371 178.366 -0.995 1
1 231 . 2 1 1 A 26 26 LEU CA C 26 58.191 57.569 0.622 1
1 232 . 2 1 1 A 26 26 LEU CB C 26 40.695 41.535 -0.840 1
1 236 . 2 1 1 A 26 26 LEU N N 26 122.536 120.853 1.683 1
1 237 . 2 1 1 A 27 27 ILE H H 27 8.225 7.690 0.535 1
1 238 . 2 1 1 A 27 27 ILE HA H 27 3.778 3.639 0.139 1
1 248 . 2 1 1 A 27 27 ILE C C 27 179.086 178.652 0.434 1
1 249 . 2 1 1 A 27 27 ILE CA C 27 64.790 65.068 -0.278 1
1 250 . 2 1 1 A 27 27 ILE CB C 27 37.725 37.531 0.194 1
1 254 . 2 1 1 A 27 27 ILE N N 27 119.370 119.912 -0.542 1
1 255 . 2 1 1 A 28 28 VAL H H 28 7.394 7.986 -0.592 1
1 256 . 2 1 1 A 28 28 VAL HA H 28 3.507 3.603 -0.096 1
1 264 . 2 1 1 A 28 28 VAL C C 28 178.897 178.186 0.711 1
1 265 . 2 1 1 A 28 28 VAL CA C 28 66.606 66.036 0.570 1
1 266 . 2 1 1 A 28 28 VAL CB C 28 31.929 31.808 0.121 1
1 269 . 2 1 1 A 28 28 VAL N N 28 118.982 121.533 -2.551 1
1 270 . 2 1 1 A 29 29 HIS H H 29 7.587 7.903 -0.316 1
1 271 . 2 1 1 A 29 29 HIS HA H 29 4.134 4.195 -0.061 1
1 276 . 2 1 1 A 29 29 HIS C C 29 176.397 177.072 -0.675 1
1 277 . 2 1 1 A 29 29 HIS CA C 29 59.312 59.661 -0.349 1
1 278 . 2 1 1 A 29 29 HIS CB C 29 27.959 29.640 -1.681 1
1 281 . 2 1 1 A 29 29 HIS N N 29 119.908 119.792 0.116 1
1 282 . 2 1 1 A 30 30 GLN H H 30 8.502 8.484 0.018 1
1 283 . 2 1 1 A 30 30 GLN HA H 30 3.615 3.834 -0.219 1
1 290 . 2 1 1 A 30 30 GLN C C 30 177.427 178.612 -1.185 1
1 291 . 2 1 1 A 30 30 GLN CA C 30 59.579 59.273 0.306 1
1 292 . 2 1 1 A 30 30 GLN CB C 30 28.227 28.349 -0.122 1
1 294 . 2 1 1 A 30 30 GLN N N 30 115.041 117.236 -2.195 1
1 296 . 2 1 1 A 31 31 ARG H H 31 7.242 7.934 -0.692 1
1 297 . 2 1 1 A 31 31 ARG HA H 31 4.142 4.072 0.070 1
1 304 . 2 1 1 A 31 31 ARG C C 31 178.802 178.950 -0.148 1
1 305 . 2 1 1 A 31 31 ARG CA C 31 58.548 59.031 -0.483 1
1 306 . 2 1 1 A 31 31 ARG CB C 31 30.083 29.841 0.242 1
1 309 . 2 1 1 A 31 31 ARG N N 31 118.327 120.066 -1.739 1
1 310 . 2 1 1 A 32 32 ILE H H 32 7.871 8.178 -0.307 1
1 311 . 2 1 1 A 32 32 ILE HA H 32 3.947 3.734 0.213 1
1 321 . 2 1 1 A 32 32 ILE C C 32 177.496 177.459 0.037 1
1 322 . 2 1 1 A 32 32 ILE CA C 32 63.124 64.070 -0.946 1
1 323 . 2 1 1 A 32 32 ILE CB C 32 37.609 37.331 0.278 1
1 327 . 2 1 1 A 32 32 ILE N N 32 116.287 118.248 -1.961 1
1 328 . 2 1 1 A 33 33 HIS H H 33 7.158 7.346 -0.188 1
1 329 . 2 1 1 A 33 33 HIS HA H 33 4.846 4.438 0.408 1
1 334 . 2 1 1 A 33 33 HIS C C 33 176.000 175.795 0.205 1
1 335 . 2 1 1 A 33 33 HIS CA C 33 55.125 58.959 -3.834 1
1 336 . 2 1 1 A 33 33 HIS CB C 33 28.536 30.161 -1.625 1
1 339 . 2 1 1 A 33 33 HIS N N 33 117.660 119.865 -2.205 1
1 340 . 2 1 1 A 34 34 THR H H 34 7.811 7.501 0.310 1
1 341 . 2 1 1 A 34 34 THR HA H 34 4.320 3.909 0.411 1
1 346 . 2 1 1 A 34 34 THR C C 34 175.641 175.589 0.052 1
1 347 . 2 1 1 A 34 34 THR CA C 34 62.869 63.473 -0.604 1
1 348 . 2 1 1 A 34 34 THR CB C 34 69.771 69.514 0.257 1
1 350 . 2 1 1 A 34 34 THR N N 34 112.089 113.487 -1.398 1
1 351 . 2 1 1 A 35 35 GLY H H 35 8.210 8.922 -0.712 1
1 352 . 2 1 1 A 35 35 GLY HA2 H 35 4.019 3.899 0.120 1
1 353 . 2 1 1 A 35 35 GLY HA3 H 35 3.944 3.902 0.042 1
1 354 . 2 1 1 A 35 35 GLY C C 35 174.359 174.300 0.059 1
1 355 . 2 1 1 A 35 35 GLY CA C 35 45.494 46.013 -0.519 1
1 356 . 2 1 1 A 35 35 GLY N N 35 110.437 115.183 -4.746 1
1 357 . 2 1 1 A 36 36 GLU H H 36 8.085 8.072 0.013 1
1 358 . 2 1 1 A 36 36 GLU HA H 36 4.214 4.580 -0.366 1
1 363 . 2 1 1 A 36 36 GLU C C 36 176.485 177.062 -0.577 1
1 364 . 2 1 1 A 36 36 GLU CA C 36 56.691 54.683 2.008 1
1 365 . 2 1 1 A 36 36 GLU CB C 36 30.455 28.063 2.392 1
1 367 . 2 1 1 A 36 36 GLU N N 36 120.789 120.540 0.249 1
1 368 . 2 1 1 A 37 37 LYS H H 37 8.316 8.353 -0.037 1
1 369 . 2 1 1 A 37 37 LYS HA H 37 4.313 4.038 0.275 1
1 378 . 2 1 1 A 37 37 LYS C C 37 176.554 177.762 -1.208 1
1 379 . 2 1 1 A 37 37 LYS CA C 37 56.270 59.084 -2.814 1
1 380 . 2 1 1 A 37 37 LYS CB C 37 32.830 32.197 0.633 1
1 384 . 2 1 1 A 37 37 LYS N N 37 122.204 122.130 0.074 1
1 385 . 2 1 1 A 38 38 LEU H H 38 8.295 8.093 0.202 1
1 386 . 2 1 1 A 38 38 LEU HA H 38 4.390 4.405 -0.015 1
1 396 . 2 1 1 A 38 38 LEU C C 38 177.408 176.549 0.859 1
1 397 . 2 1 1 A 38 38 LEU CA C 38 55.081 55.970 -0.889 1
1 398 . 2 1 1 A 38 38 LEU CB C 38 42.248 43.721 -1.473 1
1 402 . 2 1 1 A 38 38 LEU N N 38 123.561 118.483 5.078 1
1 403 . 2 1 1 A 39 39 SER H H 39 8.293 7.899 0.394 1
1 404 . 2 1 1 A 39 39 SER HA H 39 4.487 4.667 -0.180 1
1 407 . 2 1 1 A 39 39 SER C C 39 174.479 174.056 0.423 1
1 408 . 2 1 1 A 39 39 SER CA C 39 58.221 57.828 0.393 1
1 409 . 2 1 1 A 39 39 SER CB C 39 63.918 65.716 -1.798 1
1 410 . 2 1 1 A 39 39 SER N N 39 116.483 109.502 6.981 1
1 411 . 2 1 1 A 40 40 GLY H H 40 8.210 8.635 -0.425 1
1 412 . 2 1 1 A 40 40 GLY HA2 H 40 4.163 4.017 0.146 1
1 413 . 2 1 1 A 40 40 GLY HA3 H 40 4.097 4.017 0.080 1
1 414 . 2 1 1 A 40 40 GLY C C 40 171.732 173.620 -1.888 1
1 415 . 2 1 1 A 40 40 GLY CA C 40 44.672 44.876 -0.204 1
1 416 . 2 1 1 A 40 40 GLY N N 40 110.630 115.174 -4.544 1
1 417 . 2 1 1 A 41 41 PRO HA H 41 4.476 4.488 -0.012 1
1 424 . 2 1 1 A 41 41 PRO C C 41 177.357 176.663 0.694 1
1 425 . 2 1 1 A 41 41 PRO CA C 41 63.215 62.504 0.711 1
1 426 . 2 1 1 A 41 41 PRO CB C 41 32.212 32.511 -0.299 1
1 429 . 2 1 1 A 42 42 SER H H 42 8.535 8.394 0.141 1
1 430 . 2 1 1 A 42 42 SER HA H 42 4.470 4.335 0.135 1
1 433 . 2 1 1 A 42 42 SER C C 42 174.589 174.433 0.156 1
1 434 . 2 1 1 A 42 42 SER CA C 42 58.435 60.051 -1.616 1
1 435 . 2 1 1 A 42 42 SER CB C 42 63.984 64.018 -0.034 1
1 436 . 2 1 1 A 42 42 SER N N 42 116.375 118.368 -1.993 1
1 437 . 2 1 1 A 43 43 SER H H 43 8.303 8.794 -0.491 1
1 438 . 2 1 1 A 43 43 SER HA H 43 4.457 5.269 -0.812 1
1 441 . 2 1 1 A 43 43 SER C C 43 173.896 172.975 0.921 1
1 442 . 2 1 1 A 43 43 SER CA C 43 58.281 57.507 0.774 1
1 443 . 2 1 1 A 43 43 SER CB C 43 64.036 65.634 -1.598 1
1 444 . 2 1 1 A 43 43 SER N N 43 117.817 117.296 0.521 1
1 1 . 3 1 1 A 6 6 SER HA H 6 4.443 4.252 0.191 1
1 4 . 3 1 1 A 6 6 SER C C 6 174.977 174.375 0.602 1
1 5 . 3 1 1 A 6 6 SER CA C 6 58.518 59.981 -1.463 1
1 6 . 3 1 1 A 6 6 SER CB C 6 63.628 64.118 -0.490 1
1 7 . 3 1 1 A 7 7 GLY H H 7 8.375 7.759 0.616 1
1 8 . 3 1 1 A 7 7 GLY HA2 H 7 3.943 4.028 -0.085 1
1 9 . 3 1 1 A 7 7 GLY HA3 H 7 3.943 4.034 -0.091 1
1 10 . 3 1 1 A 7 7 GLY C C 7 174.013 173.299 0.714 1
1 11 . 3 1 1 A 7 7 GLY CA C 7 45.265 44.730 0.535 1
1 12 . 3 1 1 A 7 7 GLY N N 7 110.641 108.648 1.993 1
1 13 . 3 1 1 A 8 8 GLU H H 8 8.221 8.264 -0.043 1
1 14 . 3 1 1 A 8 8 GLU HA H 8 4.211 4.944 -0.733 1
1 19 . 3 1 1 A 8 8 GLU C C 8 176.367 175.723 0.644 1
1 20 . 3 1 1 A 8 8 GLU CA C 8 56.659 55.006 1.653 1
1 21 . 3 1 1 A 8 8 GLU CB C 8 30.440 30.272 0.168 1
1 23 . 3 1 1 A 8 8 GLU N N 8 120.286 117.576 2.710 1
1 24 . 3 1 1 A 9 9 LYS H H 9 8.366 8.718 -0.352 1
1 25 . 3 1 1 A 9 9 LYS HA H 9 4.523 4.058 0.465 1
1 34 . 3 1 1 A 9 9 LYS C C 9 174.265 176.560 -2.295 1
1 35 . 3 1 1 A 9 9 LYS CA C 9 53.760 56.777 -3.017 1
1 36 . 3 1 1 A 9 9 LYS CB C 9 32.697 30.338 2.359 1
1 40 . 3 1 1 A 9 9 LYS N N 9 122.243 117.710 4.533 1
1 41 . 3 1 1 A 10 10 PRO HA H 10 4.279 4.474 -0.195 1
1 48 . 3 1 1 A 10 10 PRO C C 10 176.457 175.700 0.757 1
1 49 . 3 1 1 A 10 10 PRO CA C 10 63.415 64.241 -0.826 1
1 50 . 3 1 1 A 10 10 PRO CB C 10 32.074 31.516 0.558 1
1 53 . 3 1 1 A 11 11 TYR H H 11 8.273 7.577 0.696 1
1 54 . 3 1 1 A 11 11 TYR HA H 11 4.715 5.050 -0.335 1
1 61 . 3 1 1 A 11 11 TYR C C 11 174.995 175.660 -0.665 1
1 62 . 3 1 1 A 11 11 TYR CA C 11 56.584 56.319 0.265 1
1 63 . 3 1 1 A 11 11 TYR CB C 11 38.169 41.386 -3.217 1
1 68 . 3 1 1 A 11 11 TYR N N 11 118.862 119.214 -0.352 1
1 69 . 3 1 1 A 12 12 GLY H H 12 8.221 8.776 -0.555 1
1 70 . 3 1 1 A 12 12 GLY HA2 H 12 3.613 4.452 -0.839 1
1 71 . 3 1 1 A 12 12 GLY HA3 H 12 4.865 4.558 0.307 1
1 72 . 3 1 1 A 12 12 GLY C C 12 173.074 172.065 1.009 1
1 73 . 3 1 1 A 12 12 GLY CA C 12 44.870 45.726 -0.856 1
1 74 . 3 1 1 A 12 12 GLY N N 12 110.093 108.971 1.122 1
1 75 . 3 1 1 A 13 13 CYS H H 13 9.115 9.038 0.077 1
1 76 . 3 1 1 A 13 13 CYS HA H 13 4.665 5.063 -0.398 1
1 79 . 3 1 1 A 13 13 CYS C C 13 177.041 175.171 1.870 1
1 80 . 3 1 1 A 13 13 CYS CA C 13 58.883 57.661 1.222 1
1 81 . 3 1 1 A 13 13 CYS CB C 13 29.920 30.188 -0.268 1
1 82 . 3 1 1 A 13 13 CYS N N 13 123.945 118.395 5.550 1
1 83 . 3 1 1 A 14 14 ASN H H 14 9.374 9.043 0.331 1
1 84 . 3 1 1 A 14 14 ASN HA H 14 4.550 4.419 0.131 1
1 89 . 3 1 1 A 14 14 ASN C C 14 175.484 177.195 -1.711 1
1 90 . 3 1 1 A 14 14 ASN CA C 14 55.420 56.247 -0.827 1
1 91 . 3 1 1 A 14 14 ASN CB C 14 38.238 38.397 -0.159 1
1 92 . 3 1 1 A 14 14 ASN N N 14 129.983 126.301 3.682 1
1 94 . 3 1 1 A 15 15 GLU H H 15 8.645 8.401 0.244 1
1 95 . 3 1 1 A 15 15 GLU HA H 15 4.212 3.961 0.251 1
1 100 . 3 1 1 A 15 15 GLU C C 15 177.052 178.037 -0.985 1
1 101 . 3 1 1 A 15 15 GLU CA C 15 58.326 59.372 -1.046 1
1 102 . 3 1 1 A 15 15 GLU CB C 15 29.466 28.985 0.481 1
1 104 . 3 1 1 A 15 15 GLU N N 15 120.926 118.507 2.419 1
1 105 . 3 1 1 A 16 16 CYS H H 16 7.846 7.769 0.077 1
1 106 . 3 1 1 A 16 16 CYS HA H 16 5.144 4.623 0.521 1
1 109 . 3 1 1 A 16 16 CYS C C 16 176.147 175.411 0.736 1
1 110 . 3 1 1 A 16 16 CYS CA C 16 58.213 59.486 -1.273 1
1 111 . 3 1 1 A 16 16 CYS CB C 16 32.251 29.941 2.310 1
1 112 . 3 1 1 A 16 16 CYS N N 16 114.327 114.664 -0.337 1
1 113 . 3 1 1 A 17 17 GLY H H 17 8.188 7.906 0.282 1
1 114 . 3 1 1 A 17 17 GLY HA2 H 17 3.875 4.051 -0.176 1
1 115 . 3 1 1 A 17 17 GLY HA3 H 17 4.202 4.060 0.142 1
1 116 . 3 1 1 A 17 17 GLY C C 17 174.225 174.334 -0.109 1
1 117 . 3 1 1 A 17 17 GLY CA C 17 46.360 45.189 1.171 1
1 118 . 3 1 1 A 17 17 GLY N N 17 113.009 110.270 2.739 1
1 119 . 3 1 1 A 18 18 LYS H H 18 7.801 7.586 0.215 1
1 120 . 3 1 1 A 18 18 LYS HA H 18 4.087 4.588 -0.501 1
1 129 . 3 1 1 A 18 18 LYS C C 18 173.597 174.641 -1.044 1
1 130 . 3 1 1 A 18 18 LYS CA C 18 57.553 55.033 2.520 1
1 131 . 3 1 1 A 18 18 LYS CB C 18 34.123 34.176 -0.053 1
1 135 . 3 1 1 A 18 18 LYS N N 18 122.310 121.317 0.993 1
1 136 . 3 1 1 A 19 19 ASP H H 19 7.782 8.351 -0.569 1
1 137 . 3 1 1 A 19 19 ASP HA H 19 5.140 5.505 -0.365 1
1 140 . 3 1 1 A 19 19 ASP C C 19 174.660 174.101 0.559 1
1 141 . 3 1 1 A 19 19 ASP CA C 19 52.887 52.558 0.329 1
1 142 . 3 1 1 A 19 19 ASP CB C 19 43.759 44.450 -0.691 1
1 143 . 3 1 1 A 19 19 ASP N N 19 118.910 121.088 -2.178 1
1 144 . 3 1 1 A 20 20 PHE H H 20 8.207 8.812 -0.605 1
1 145 . 3 1 1 A 20 20 PHE HA H 20 4.735 4.854 -0.119 1
1 153 . 3 1 1 A 20 20 PHE C C 20 175.997 175.947 0.050 1
1 154 . 3 1 1 A 20 20 PHE CA C 20 57.637 56.844 0.793 1
1 155 . 3 1 1 A 20 20 PHE CB C 20 43.683 42.955 0.728 1
1 161 . 3 1 1 A 20 20 PHE N N 20 116.189 120.274 -4.085 1
1 162 . 3 1 1 A 21 21 SER H H 21 9.247 9.099 0.148 1
1 163 . 3 1 1 A 21 21 SER HA H 21 4.557 4.605 -0.048 1
1 166 . 3 1 1 A 21 21 SER C C 21 173.988 173.793 0.195 1
1 167 . 3 1 1 A 21 21 SER CA C 21 59.854 61.054 -1.200 1
1 168 . 3 1 1 A 21 21 SER CB C 21 63.994 63.715 0.279 1
1 169 . 3 1 1 A 21 21 SER N N 21 114.221 118.383 -4.162 1
1 170 . 3 1 1 A 22 22 SER H H 22 7.490 8.364 -0.874 1
1 171 . 3 1 1 A 22 22 SER HA H 22 4.473 4.744 -0.271 1
1 174 . 3 1 1 A 22 22 SER C C 22 173.228 174.242 -1.014 1
1 175 . 3 1 1 A 22 22 SER CA C 22 56.284 57.617 -1.333 1
1 176 . 3 1 1 A 22 22 SER CB C 22 66.196 65.106 1.090 1
1 177 . 3 1 1 A 22 22 SER N N 22 113.081 113.652 -0.571 1
1 178 . 3 1 1 A 23 23 LYS H H 23 8.298 8.500 -0.202 1
1 179 . 3 1 1 A 23 23 LYS HA H 23 3.376 3.182 0.194 1
1 188 . 3 1 1 A 23 23 LYS C C 23 177.950 177.601 0.349 1
1 189 . 3 1 1 A 23 23 LYS CA C 23 58.783 59.623 -0.840 1
1 190 . 3 1 1 A 23 23 LYS CB C 23 31.851 31.468 0.383 1
1 194 . 3 1 1 A 23 23 LYS N N 23 124.483 125.415 -0.932 1
1 195 . 3 1 1 A 24 24 SER H H 24 8.124 7.710 0.414 1
1 196 . 3 1 1 A 24 24 SER HA H 24 3.971 3.965 0.006 1
1 199 . 3 1 1 A 24 24 SER C C 24 176.849 176.710 0.139 1
1 200 . 3 1 1 A 24 24 SER CA C 24 61.969 61.501 0.468 1
1 201 . 3 1 1 A 24 24 SER CB C 24 61.969 62.649 -0.680 1
1 202 . 3 1 1 A 24 24 SER N N 24 113.002 114.504 -1.502 1
1 203 . 3 1 1 A 25 25 TYR H H 25 7.305 7.973 -0.668 1
1 204 . 3 1 1 A 25 25 TYR HA H 25 4.325 4.254 0.071 1
1 211 . 3 1 1 A 25 25 TYR C C 25 178.583 177.834 0.749 1
1 212 . 3 1 1 A 25 25 TYR CA C 25 59.396 60.626 -1.230 1
1 213 . 3 1 1 A 25 25 TYR CB C 25 37.560 38.183 -0.623 1
1 218 . 3 1 1 A 25 25 TYR N N 25 119.444 119.872 -0.428 1
1 219 . 3 1 1 A 26 26 LEU H H 26 7.358 7.272 0.086 1
1 220 . 3 1 1 A 26 26 LEU HA H 26 3.339 2.998 0.341 1
1 230 . 3 1 1 A 26 26 LEU C C 26 177.371 178.317 -0.946 1
1 231 . 3 1 1 A 26 26 LEU CA C 26 58.191 57.843 0.348 1
1 232 . 3 1 1 A 26 26 LEU CB C 26 40.695 41.690 -0.995 1
1 236 . 3 1 1 A 26 26 LEU N N 26 122.536 120.890 1.646 1
1 237 . 3 1 1 A 27 27 ILE H H 27 8.225 8.128 0.097 1
1 238 . 3 1 1 A 27 27 ILE HA H 27 3.778 3.639 0.139 1
1 248 . 3 1 1 A 27 27 ILE C C 27 179.086 178.504 0.582 1
1 249 . 3 1 1 A 27 27 ILE CA C 27 64.790 65.206 -0.416 1
1 250 . 3 1 1 A 27 27 ILE CB C 27 37.725 37.731 -0.006 1
1 254 . 3 1 1 A 27 27 ILE N N 27 119.370 119.637 -0.267 1
1 255 . 3 1 1 A 28 28 VAL H H 28 7.394 7.960 -0.566 1
1 256 . 3 1 1 A 28 28 VAL HA H 28 3.507 3.550 -0.043 1
1 264 . 3 1 1 A 28 28 VAL C C 28 178.897 178.168 0.729 1
1 265 . 3 1 1 A 28 28 VAL CA C 28 66.606 66.103 0.503 1
1 266 . 3 1 1 A 28 28 VAL CB C 28 31.929 31.744 0.185 1
1 269 . 3 1 1 A 28 28 VAL N N 28 118.982 120.815 -1.833 1
1 270 . 3 1 1 A 29 29 HIS H H 29 7.587 8.107 -0.520 1
1 271 . 3 1 1 A 29 29 HIS HA H 29 4.134 4.172 -0.038 1
1 276 . 3 1 1 A 29 29 HIS C C 29 176.397 177.065 -0.668 1
1 277 . 3 1 1 A 29 29 HIS CA C 29 59.312 59.738 -0.426 1
1 278 . 3 1 1 A 29 29 HIS CB C 29 27.959 29.768 -1.809 1
1 281 . 3 1 1 A 29 29 HIS N N 29 119.908 119.457 0.451 1
1 282 . 3 1 1 A 30 30 GLN H H 30 8.502 8.671 -0.169 1
1 283 . 3 1 1 A 30 30 GLN HA H 30 3.615 4.012 -0.397 1
1 290 . 3 1 1 A 30 30 GLN C C 30 177.427 178.644 -1.217 1
1 291 . 3 1 1 A 30 30 GLN CA C 30 59.579 59.231 0.348 1
1 292 . 3 1 1 A 30 30 GLN CB C 30 28.227 28.402 -0.175 1
1 294 . 3 1 1 A 30 30 GLN N N 30 115.041 117.339 -2.298 1
1 296 . 3 1 1 A 31 31 ARG H H 31 7.242 7.925 -0.683 1
1 297 . 3 1 1 A 31 31 ARG HA H 31 4.142 4.406 -0.264 1
1 304 . 3 1 1 A 31 31 ARG C C 31 178.802 179.083 -0.281 1
1 305 . 3 1 1 A 31 31 ARG CA C 31 58.548 59.057 -0.509 1
1 306 . 3 1 1 A 31 31 ARG CB C 31 30.083 29.832 0.251 1
1 309 . 3 1 1 A 31 31 ARG N N 31 118.327 119.999 -1.672 1
1 310 . 3 1 1 A 32 32 ILE H H 32 7.871 8.065 -0.194 1
1 311 . 3 1 1 A 32 32 ILE HA H 32 3.947 3.790 0.157 1
1 321 . 3 1 1 A 32 32 ILE C C 32 177.496 176.897 0.599 1
1 322 . 3 1 1 A 32 32 ILE CA C 32 63.124 63.184 -0.060 1
1 323 . 3 1 1 A 32 32 ILE CB C 32 37.609 37.250 0.359 1
1 327 . 3 1 1 A 32 32 ILE N N 32 116.287 117.333 -1.046 1
1 328 . 3 1 1 A 33 33 HIS H H 33 7.158 7.649 -0.491 1
1 329 . 3 1 1 A 33 33 HIS HA H 33 4.846 4.585 0.261 1
1 334 . 3 1 1 A 33 33 HIS C C 33 176.000 175.251 0.749 1
1 335 . 3 1 1 A 33 33 HIS CA C 33 55.125 57.022 -1.897 1
1 336 . 3 1 1 A 33 33 HIS CB C 33 28.536 31.617 -3.081 1
1 339 . 3 1 1 A 33 33 HIS N N 33 117.660 118.954 -1.294 1
1 340 . 3 1 1 A 34 34 THR H H 34 7.811 7.489 0.322 1
1 341 . 3 1 1 A 34 34 THR HA H 34 4.320 4.159 0.161 1
1 346 . 3 1 1 A 34 34 THR C C 34 175.641 175.061 0.580 1
1 347 . 3 1 1 A 34 34 THR CA C 34 62.869 62.469 0.400 1
1 348 . 3 1 1 A 34 34 THR CB C 34 69.771 69.486 0.285 1
1 350 . 3 1 1 A 34 34 THR N N 34 112.089 111.991 0.098 1
1 351 . 3 1 1 A 35 35 GLY H H 35 8.210 8.696 -0.486 1
1 352 . 3 1 1 A 35 35 GLY HA2 H 35 4.019 4.164 -0.145 1
1 353 . 3 1 1 A 35 35 GLY HA3 H 35 3.944 4.169 -0.225 1
1 354 . 3 1 1 A 35 35 GLY C C 35 174.359 175.005 -0.646 1
1 355 . 3 1 1 A 35 35 GLY CA C 35 45.494 46.430 -0.936 1
1 356 . 3 1 1 A 35 35 GLY N N 35 110.437 110.302 0.135 1
1 357 . 3 1 1 A 36 36 GLU H H 36 8.085 8.131 -0.046 1
1 358 . 3 1 1 A 36 36 GLU HA H 36 4.214 4.533 -0.319 1
1 363 . 3 1 1 A 36 36 GLU C C 36 176.485 176.564 -0.079 1
1 364 . 3 1 1 A 36 36 GLU CA C 36 56.691 57.152 -0.461 1
1 365 . 3 1 1 A 36 36 GLU CB C 36 30.455 31.479 -1.024 1
1 367 . 3 1 1 A 36 36 GLU N N 36 120.789 120.644 0.145 1
1 368 . 3 1 1 A 37 37 LYS H H 37 8.316 7.679 0.637 1
1 369 . 3 1 1 A 37 37 LYS HA H 37 4.313 4.074 0.239 1
1 378 . 3 1 1 A 37 37 LYS C C 37 176.554 175.812 0.742 1
1 379 . 3 1 1 A 37 37 LYS CA C 37 56.270 57.327 -1.057 1
1 380 . 3 1 1 A 37 37 LYS CB C 37 32.830 32.818 0.012 1
1 384 . 3 1 1 A 37 37 LYS N N 37 122.204 121.896 0.308 1
1 385 . 3 1 1 A 38 38 LEU H H 38 8.295 8.836 -0.541 1
1 386 . 3 1 1 A 38 38 LEU HA H 38 4.390 5.227 -0.837 1
1 396 . 3 1 1 A 38 38 LEU C C 38 177.408 175.714 1.694 1
1 397 . 3 1 1 A 38 38 LEU CA C 38 55.081 53.184 1.897 1
1 398 . 3 1 1 A 38 38 LEU CB C 38 42.248 44.489 -2.241 1
1 402 . 3 1 1 A 38 38 LEU N N 38 123.561 122.593 0.968 1
1 403 . 3 1 1 A 39 39 SER H H 39 8.293 8.738 -0.445 1
1 404 . 3 1 1 A 39 39 SER HA H 39 4.487 5.355 -0.868 1
1 407 . 3 1 1 A 39 39 SER C C 39 174.479 173.514 0.965 1
1 408 . 3 1 1 A 39 39 SER CA C 39 58.221 57.217 1.004 1
1 409 . 3 1 1 A 39 39 SER CB C 39 63.918 67.011 -3.093 1
1 410 . 3 1 1 A 39 39 SER N N 39 116.483 117.661 -1.178 1
1 411 . 3 1 1 A 40 40 GLY H H 40 8.210 8.349 -0.139 1
1 412 . 3 1 1 A 40 40 GLY HA2 H 40 4.163 4.208 -0.045 1
1 413 . 3 1 1 A 40 40 GLY HA3 H 40 4.097 4.208 -0.111 1
1 414 . 3 1 1 A 40 40 GLY C C 40 171.732 174.024 -2.292 1
1 415 . 3 1 1 A 40 40 GLY CA C 40 44.672 46.060 -1.388 1
1 416 . 3 1 1 A 40 40 GLY N N 40 110.630 110.330 0.300 1
1 417 . 3 1 1 A 41 41 PRO HA H 41 4.476 4.348 0.128 1
1 424 . 3 1 1 A 41 41 PRO C C 41 177.357 176.723 0.634 1
1 425 . 3 1 1 A 41 41 PRO CA C 41 63.215 64.879 -1.664 1
1 426 . 3 1 1 A 41 41 PRO CB C 41 32.212 31.569 0.643 1
1 429 . 3 1 1 A 42 42 SER H H 42 8.535 8.046 0.489 1
1 430 . 3 1 1 A 42 42 SER HA H 42 4.470 4.488 -0.018 1
1 433 . 3 1 1 A 42 42 SER C C 42 174.589 173.957 0.632 1
1 434 . 3 1 1 A 42 42 SER CA C 42 58.435 58.340 0.095 1
1 435 . 3 1 1 A 42 42 SER CB C 42 63.984 63.882 0.102 1
1 436 . 3 1 1 A 42 42 SER N N 42 116.375 114.849 1.526 1
1 437 . 3 1 1 A 43 43 SER H H 43 8.303 8.640 -0.337 1
1 438 . 3 1 1 A 43 43 SER HA H 43 4.457 4.678 -0.221 1
1 441 . 3 1 1 A 43 43 SER C C 43 173.896 175.156 -1.260 1
1 442 . 3 1 1 A 43 43 SER CA C 43 58.281 57.281 1.000 1
1 443 . 3 1 1 A 43 43 SER CB C 43 64.036 62.875 1.161 1
1 444 . 3 1 1 A 43 43 SER N N 43 117.817 120.492 -2.675 1
1 1 . 4 1 1 A 6 6 SER HA H 6 4.443 5.018 -0.575 1
1 4 . 4 1 1 A 6 6 SER C C 6 174.977 175.117 -0.140 1
1 5 . 4 1 1 A 6 6 SER CA C 6 58.518 57.275 1.243 1
1 6 . 4 1 1 A 6 6 SER CB C 6 63.628 66.355 -2.727 1
1 7 . 4 1 1 A 7 7 GLY H H 7 8.375 8.732 -0.357 1
1 8 . 4 1 1 A 7 7 GLY HA2 H 7 3.943 3.970 -0.027 1
1 9 . 4 1 1 A 7 7 GLY HA3 H 7 3.943 3.977 -0.034 1
1 10 . 4 1 1 A 7 7 GLY C C 7 174.013 173.983 0.030 1
1 11 . 4 1 1 A 7 7 GLY CA C 7 45.265 45.225 0.040 1
1 12 . 4 1 1 A 7 7 GLY N N 7 110.641 113.064 -2.423 1
1 13 . 4 1 1 A 8 8 GLU H H 8 8.221 7.911 0.310 1
1 14 . 4 1 1 A 8 8 GLU HA H 8 4.211 4.575 -0.364 1
1 19 . 4 1 1 A 8 8 GLU C C 8 176.367 175.732 0.635 1
1 20 . 4 1 1 A 8 8 GLU CA C 8 56.659 55.048 1.611 1
1 21 . 4 1 1 A 8 8 GLU CB C 8 30.440 30.645 -0.205 1
1 23 . 4 1 1 A 8 8 GLU N N 8 120.286 121.467 -1.181 1
1 24 . 4 1 1 A 9 9 LYS H H 9 8.366 8.925 -0.559 1
1 25 . 4 1 1 A 9 9 LYS HA H 9 4.523 3.913 0.610 1
1 34 . 4 1 1 A 9 9 LYS C C 9 174.265 176.446 -2.181 1
1 35 . 4 1 1 A 9 9 LYS CA C 9 53.760 56.856 -3.096 1
1 36 . 4 1 1 A 9 9 LYS CB C 9 32.697 30.271 2.426 1
1 40 . 4 1 1 A 9 9 LYS N N 9 122.243 125.398 -3.155 1
1 41 . 4 1 1 A 10 10 PRO HA H 10 4.279 4.426 -0.147 1
1 48 . 4 1 1 A 10 10 PRO C C 10 176.457 175.815 0.642 1
1 49 . 4 1 1 A 10 10 PRO CA C 10 63.415 65.140 -1.725 1
1 50 . 4 1 1 A 10 10 PRO CB C 10 32.074 31.635 0.439 1
1 53 . 4 1 1 A 11 11 TYR H H 11 8.273 7.822 0.451 1
1 54 . 4 1 1 A 11 11 TYR HA H 11 4.715 4.974 -0.259 1
1 61 . 4 1 1 A 11 11 TYR C C 11 174.995 175.948 -0.953 1
1 62 . 4 1 1 A 11 11 TYR CA C 11 56.584 56.763 -0.179 1
1 63 . 4 1 1 A 11 11 TYR CB C 11 38.169 40.758 -2.589 1
1 68 . 4 1 1 A 11 11 TYR N N 11 118.862 118.996 -0.134 1
1 69 . 4 1 1 A 12 12 GLY H H 12 8.221 8.793 -0.572 1
1 70 . 4 1 1 A 12 12 GLY HA2 H 12 3.613 4.415 -0.802 1
1 71 . 4 1 1 A 12 12 GLY HA3 H 12 4.865 4.507 0.358 1
1 72 . 4 1 1 A 12 12 GLY C C 12 173.074 172.091 0.983 1
1 73 . 4 1 1 A 12 12 GLY CA C 12 44.870 45.694 -0.824 1
1 74 . 4 1 1 A 12 12 GLY N N 12 110.093 109.372 0.721 1
1 75 . 4 1 1 A 13 13 CYS H H 13 9.115 8.991 0.124 1
1 76 . 4 1 1 A 13 13 CYS HA H 13 4.665 5.023 -0.358 1
1 79 . 4 1 1 A 13 13 CYS C C 13 177.041 175.464 1.577 1
1 80 . 4 1 1 A 13 13 CYS CA C 13 58.883 58.120 0.763 1
1 81 . 4 1 1 A 13 13 CYS CB C 13 29.920 29.769 0.151 1
1 82 . 4 1 1 A 13 13 CYS N N 13 123.945 118.936 5.009 1
1 83 . 4 1 1 A 14 14 ASN H H 14 9.374 9.014 0.360 1
1 84 . 4 1 1 A 14 14 ASN HA H 14 4.550 5.013 -0.463 1
1 89 . 4 1 1 A 14 14 ASN C C 14 175.484 175.749 -0.265 1
1 90 . 4 1 1 A 14 14 ASN CA C 14 55.420 53.024 2.396 1
1 91 . 4 1 1 A 14 14 ASN CB C 14 38.238 39.255 -1.017 1
1 92 . 4 1 1 A 14 14 ASN N N 14 129.983 125.468 4.515 1
1 94 . 4 1 1 A 15 15 GLU H H 15 8.645 7.970 0.675 1
1 95 . 4 1 1 A 15 15 GLU HA H 15 4.212 4.461 -0.249 1
1 100 . 4 1 1 A 15 15 GLU C C 15 177.052 177.624 -0.572 1
1 101 . 4 1 1 A 15 15 GLU CA C 15 58.326 57.101 1.225 1
1 102 . 4 1 1 A 15 15 GLU CB C 15 29.466 31.464 -1.998 1
1 104 . 4 1 1 A 15 15 GLU N N 15 120.926 118.159 2.767 1
1 105 . 4 1 1 A 16 16 CYS H H 16 7.846 8.062 -0.216 1
1 106 . 4 1 1 A 16 16 CYS HA H 16 5.144 4.641 0.503 1
1 109 . 4 1 1 A 16 16 CYS C C 16 176.147 175.331 0.816 1
1 110 . 4 1 1 A 16 16 CYS CA C 16 58.213 59.712 -1.499 1
1 111 . 4 1 1 A 16 16 CYS CB C 16 32.251 29.814 2.437 1
1 112 . 4 1 1 A 16 16 CYS N N 16 114.327 115.052 -0.725 1
1 113 . 4 1 1 A 17 17 GLY H H 17 8.188 7.975 0.213 1
1 114 . 4 1 1 A 17 17 GLY HA2 H 17 3.875 4.070 -0.195 1
1 115 . 4 1 1 A 17 17 GLY HA3 H 17 4.202 4.074 0.128 1
1 116 . 4 1 1 A 17 17 GLY C C 17 174.225 174.002 0.223 1
1 117 . 4 1 1 A 17 17 GLY CA C 17 46.360 45.214 1.146 1
1 118 . 4 1 1 A 17 17 GLY N N 17 113.009 109.532 3.477 1
1 119 . 4 1 1 A 18 18 LYS H H 18 7.801 7.782 0.019 1
1 120 . 4 1 1 A 18 18 LYS HA H 18 4.087 4.609 -0.522 1
1 129 . 4 1 1 A 18 18 LYS C C 18 173.597 174.636 -1.039 1
1 130 . 4 1 1 A 18 18 LYS CA C 18 57.553 54.202 3.351 1
1 131 . 4 1 1 A 18 18 LYS CB C 18 34.123 34.605 -0.482 1
1 135 . 4 1 1 A 18 18 LYS N N 18 122.310 118.856 3.454 1
1 136 . 4 1 1 A 19 19 ASP H H 19 7.782 8.148 -0.366 1
1 137 . 4 1 1 A 19 19 ASP HA H 19 5.140 5.376 -0.236 1
1 140 . 4 1 1 A 19 19 ASP C C 19 174.660 173.437 1.223 1
1 141 . 4 1 1 A 19 19 ASP CA C 19 52.887 52.658 0.229 1
1 142 . 4 1 1 A 19 19 ASP CB C 19 43.759 45.166 -1.407 1
1 143 . 4 1 1 A 19 19 ASP N N 19 118.910 120.591 -1.681 1
1 144 . 4 1 1 A 20 20 PHE H H 20 8.207 8.574 -0.367 1
1 145 . 4 1 1 A 20 20 PHE HA H 20 4.735 4.996 -0.261 1
1 153 . 4 1 1 A 20 20 PHE C C 20 175.997 175.839 0.158 1
1 154 . 4 1 1 A 20 20 PHE CA C 20 57.637 56.612 1.025 1
1 155 . 4 1 1 A 20 20 PHE CB C 20 43.683 42.202 1.481 1
1 161 . 4 1 1 A 20 20 PHE N N 20 116.189 120.640 -4.451 1
1 162 . 4 1 1 A 21 21 SER H H 21 9.247 8.999 0.248 1
1 163 . 4 1 1 A 21 21 SER HA H 21 4.557 4.489 0.068 1
1 166 . 4 1 1 A 21 21 SER C C 21 173.988 174.646 -0.658 1
1 167 . 4 1 1 A 21 21 SER CA C 21 59.854 61.840 -1.986 1
1 168 . 4 1 1 A 21 21 SER CB C 21 63.994 62.877 1.117 1
1 169 . 4 1 1 A 21 21 SER N N 21 114.221 120.683 -6.462 1
1 170 . 4 1 1 A 22 22 SER H H 22 7.490 8.114 -0.624 1
1 171 . 4 1 1 A 22 22 SER HA H 22 4.473 4.662 -0.189 1
1 174 . 4 1 1 A 22 22 SER C C 22 173.228 174.136 -0.908 1
1 175 . 4 1 1 A 22 22 SER CA C 22 56.284 56.536 -0.252 1
1 176 . 4 1 1 A 22 22 SER CB C 22 66.196 64.854 1.342 1
1 177 . 4 1 1 A 22 22 SER N N 22 113.081 115.741 -2.660 1
1 178 . 4 1 1 A 23 23 LYS H H 23 8.298 8.653 -0.355 1
1 179 . 4 1 1 A 23 23 LYS HA H 23 3.376 3.129 0.247 1
1 188 . 4 1 1 A 23 23 LYS C C 23 177.950 178.117 -0.167 1
1 189 . 4 1 1 A 23 23 LYS CA C 23 58.783 58.908 -0.125 1
1 190 . 4 1 1 A 23 23 LYS CB C 23 31.851 31.534 0.317 1
1 194 . 4 1 1 A 23 23 LYS N N 23 124.483 127.038 -2.555 1
1 195 . 4 1 1 A 24 24 SER H H 24 8.124 8.115 0.009 1
1 196 . 4 1 1 A 24 24 SER HA H 24 3.971 4.044 -0.073 1
1 199 . 4 1 1 A 24 24 SER C C 24 176.849 176.421 0.428 1
1 200 . 4 1 1 A 24 24 SER CA C 24 61.969 61.106 0.863 1
1 201 . 4 1 1 A 24 24 SER CB C 24 61.969 62.233 -0.264 1
1 202 . 4 1 1 A 24 24 SER N N 24 113.002 115.534 -2.532 1
1 203 . 4 1 1 A 25 25 TYR H H 25 7.305 8.091 -0.786 1
1 204 . 4 1 1 A 25 25 TYR HA H 25 4.325 4.313 0.012 1
1 211 . 4 1 1 A 25 25 TYR C C 25 178.583 177.892 0.691 1
1 212 . 4 1 1 A 25 25 TYR CA C 25 59.396 60.449 -1.053 1
1 213 . 4 1 1 A 25 25 TYR CB C 25 37.560 37.984 -0.424 1
1 218 . 4 1 1 A 25 25 TYR N N 25 119.444 119.356 0.088 1
1 219 . 4 1 1 A 26 26 LEU H H 26 7.358 7.807 -0.449 1
1 220 . 4 1 1 A 26 26 LEU HA H 26 3.339 3.092 0.247 1
1 230 . 4 1 1 A 26 26 LEU C C 26 177.371 178.529 -1.158 1
1 231 . 4 1 1 A 26 26 LEU CA C 26 58.191 57.617 0.574 1
1 232 . 4 1 1 A 26 26 LEU CB C 26 40.695 41.766 -1.071 1
1 236 . 4 1 1 A 26 26 LEU N N 26 122.536 120.571 1.965 1
1 237 . 4 1 1 A 27 27 ILE H H 27 8.225 7.887 0.338 1
1 238 . 4 1 1 A 27 27 ILE HA H 27 3.778 3.602 0.176 1
1 248 . 4 1 1 A 27 27 ILE C C 27 179.086 178.437 0.649 1
1 249 . 4 1 1 A 27 27 ILE CA C 27 64.790 65.218 -0.428 1
1 250 . 4 1 1 A 27 27 ILE CB C 27 37.725 37.681 0.044 1
1 254 . 4 1 1 A 27 27 ILE N N 27 119.370 119.770 -0.400 1
1 255 . 4 1 1 A 28 28 VAL H H 28 7.394 8.106 -0.712 1
1 256 . 4 1 1 A 28 28 VAL HA H 28 3.507 3.491 0.016 1
1 264 . 4 1 1 A 28 28 VAL C C 28 178.897 178.205 0.692 1
1 265 . 4 1 1 A 28 28 VAL CA C 28 66.606 66.194 0.412 1
1 266 . 4 1 1 A 28 28 VAL CB C 28 31.929 31.577 0.352 1
1 269 . 4 1 1 A 28 28 VAL N N 28 118.982 120.784 -1.802 1
1 270 . 4 1 1 A 29 29 HIS H H 29 7.587 7.904 -0.317 1
1 271 . 4 1 1 A 29 29 HIS HA H 29 4.134 4.141 -0.007 1
1 276 . 4 1 1 A 29 29 HIS C C 29 176.397 177.020 -0.623 1
1 277 . 4 1 1 A 29 29 HIS CA C 29 59.312 59.557 -0.245 1
1 278 . 4 1 1 A 29 29 HIS CB C 29 27.959 29.649 -1.690 1
1 281 . 4 1 1 A 29 29 HIS N N 29 119.908 119.407 0.501 1
1 282 . 4 1 1 A 30 30 GLN H H 30 8.502 8.607 -0.105 1
1 283 . 4 1 1 A 30 30 GLN HA H 30 3.615 3.987 -0.372 1
1 290 . 4 1 1 A 30 30 GLN C C 30 177.427 178.624 -1.197 1
1 291 . 4 1 1 A 30 30 GLN CA C 30 59.579 59.208 0.371 1
1 292 . 4 1 1 A 30 30 GLN CB C 30 28.227 28.384 -0.157 1
1 294 . 4 1 1 A 30 30 GLN N N 30 115.041 117.313 -2.272 1
1 296 . 4 1 1 A 31 31 ARG H H 31 7.242 7.907 -0.665 1
1 297 . 4 1 1 A 31 31 ARG HA H 31 4.142 4.407 -0.265 1
1 304 . 4 1 1 A 31 31 ARG C C 31 178.802 179.075 -0.273 1
1 305 . 4 1 1 A 31 31 ARG CA C 31 58.548 59.037 -0.489 1
1 306 . 4 1 1 A 31 31 ARG CB C 31 30.083 29.801 0.282 1
1 309 . 4 1 1 A 31 31 ARG N N 31 118.327 119.980 -1.653 1
1 310 . 4 1 1 A 32 32 ILE H H 32 7.871 8.101 -0.230 1
1 311 . 4 1 1 A 32 32 ILE HA H 32 3.947 3.778 0.169 1
1 321 . 4 1 1 A 32 32 ILE C C 32 177.496 176.670 0.826 1
1 322 . 4 1 1 A 32 32 ILE CA C 32 63.124 63.204 -0.080 1
1 323 . 4 1 1 A 32 32 ILE CB C 32 37.609 37.272 0.337 1
1 327 . 4 1 1 A 32 32 ILE N N 32 116.287 117.390 -1.103 1
1 328 . 4 1 1 A 33 33 HIS H H 33 7.158 7.447 -0.289 1
1 329 . 4 1 1 A 33 33 HIS HA H 33 4.846 4.558 0.288 1
1 334 . 4 1 1 A 33 33 HIS C C 33 176.000 177.480 -1.480 1
1 335 . 4 1 1 A 33 33 HIS CA C 33 55.125 57.286 -2.161 1
1 336 . 4 1 1 A 33 33 HIS CB C 33 28.536 31.380 -2.844 1
1 339 . 4 1 1 A 33 33 HIS N N 33 117.660 119.939 -2.279 1
1 340 . 4 1 1 A 34 34 THR H H 34 7.811 8.047 -0.236 1
1 341 . 4 1 1 A 34 34 THR HA H 34 4.320 4.059 0.261 1
1 346 . 4 1 1 A 34 34 THR C C 34 175.641 175.381 0.260 1
1 347 . 4 1 1 A 34 34 THR CA C 34 62.869 64.142 -1.273 1
1 348 . 4 1 1 A 34 34 THR CB C 34 69.771 68.827 0.944 1
1 350 . 4 1 1 A 34 34 THR N N 34 112.089 112.412 -0.323 1
1 351 . 4 1 1 A 35 35 GLY H H 35 8.210 7.072 1.138 1
1 352 . 4 1 1 A 35 35 GLY HA2 H 35 4.019 4.081 -0.062 1
1 353 . 4 1 1 A 35 35 GLY HA3 H 35 3.944 4.086 -0.142 1
1 354 . 4 1 1 A 35 35 GLY C C 35 174.359 174.025 0.334 1
1 355 . 4 1 1 A 35 35 GLY CA C 35 45.494 45.408 0.086 1
1 356 . 4 1 1 A 35 35 GLY N N 35 110.437 109.202 1.235 1
1 357 . 4 1 1 A 36 36 GLU H H 36 8.085 7.934 0.151 1
1 358 . 4 1 1 A 36 36 GLU HA H 36 4.214 4.651 -0.437 1
1 363 . 4 1 1 A 36 36 GLU C C 36 176.485 176.780 -0.295 1
1 364 . 4 1 1 A 36 36 GLU CA C 36 56.691 54.987 1.704 1
1 365 . 4 1 1 A 36 36 GLU CB C 36 30.455 30.202 0.253 1
1 367 . 4 1 1 A 36 36 GLU N N 36 120.789 120.600 0.189 1
1 368 . 4 1 1 A 37 37 LYS H H 37 8.316 8.077 0.239 1
1 369 . 4 1 1 A 37 37 LYS HA H 37 4.313 3.922 0.391 1
1 378 . 4 1 1 A 37 37 LYS C C 37 176.554 176.744 -0.190 1
1 379 . 4 1 1 A 37 37 LYS CA C 37 56.270 58.825 -2.555 1
1 380 . 4 1 1 A 37 37 LYS CB C 37 32.830 32.318 0.512 1
1 384 . 4 1 1 A 37 37 LYS N N 37 122.204 124.829 -2.625 1
1 385 . 4 1 1 A 38 38 LEU H H 38 8.295 7.961 0.334 1
1 386 . 4 1 1 A 38 38 LEU HA H 38 4.390 3.954 0.436 1
1 396 . 4 1 1 A 38 38 LEU C C 38 177.408 176.104 1.304 1
1 397 . 4 1 1 A 38 38 LEU CA C 38 55.081 55.872 -0.791 1
1 398 . 4 1 1 A 38 38 LEU CB C 38 42.248 40.895 1.353 1
1 402 . 4 1 1 A 38 38 LEU N N 38 123.561 120.182 3.379 1
1 403 . 4 1 1 A 39 39 SER H H 39 8.293 7.830 0.463 1
1 404 . 4 1 1 A 39 39 SER HA H 39 4.487 4.853 -0.366 1
1 407 . 4 1 1 A 39 39 SER C C 39 174.479 174.068 0.411 1
1 408 . 4 1 1 A 39 39 SER CA C 39 58.221 56.661 1.560 1
1 409 . 4 1 1 A 39 39 SER CB C 39 63.918 65.844 -1.926 1
1 410 . 4 1 1 A 39 39 SER N N 39 116.483 114.162 2.321 1
1 411 . 4 1 1 A 40 40 GLY H H 40 8.210 8.591 -0.381 1
1 412 . 4 1 1 A 40 40 GLY HA2 H 40 4.163 4.079 0.084 1
1 413 . 4 1 1 A 40 40 GLY HA3 H 40 4.097 4.080 0.017 1
1 414 . 4 1 1 A 40 40 GLY C C 40 171.732 173.231 -1.499 1
1 415 . 4 1 1 A 40 40 GLY CA C 40 44.672 44.415 0.257 1
1 416 . 4 1 1 A 40 40 GLY N N 40 110.630 111.955 -1.325 1
1 417 . 4 1 1 A 41 41 PRO HA H 41 4.476 4.705 -0.229 1
1 424 . 4 1 1 A 41 41 PRO C C 41 177.357 175.631 1.726 1
1 425 . 4 1 1 A 41 41 PRO CA C 41 63.215 62.765 0.450 1
1 426 . 4 1 1 A 41 41 PRO CB C 41 32.212 32.671 -0.459 1
1 429 . 4 1 1 A 42 42 SER H H 42 8.535 8.624 -0.089 1
1 430 . 4 1 1 A 42 42 SER HA H 42 4.470 4.954 -0.484 1
1 433 . 4 1 1 A 42 42 SER C C 42 174.589 174.045 0.544 1
1 434 . 4 1 1 A 42 42 SER CA C 42 58.435 56.481 1.954 1
1 435 . 4 1 1 A 42 42 SER CB C 42 63.984 66.315 -2.331 1
1 436 . 4 1 1 A 42 42 SER N N 42 116.375 117.479 -1.104 1
1 437 . 4 1 1 A 43 43 SER H H 43 8.303 9.324 -1.021 1
1 438 . 4 1 1 A 43 43 SER HA H 43 4.457 4.079 0.378 1
1 441 . 4 1 1 A 43 43 SER C C 43 173.896 173.569 0.327 1
1 442 . 4 1 1 A 43 43 SER CA C 43 58.281 59.266 -0.985 1
1 443 . 4 1 1 A 43 43 SER CB C 43 64.036 62.161 1.875 1
1 444 . 4 1 1 A 43 43 SER N N 43 117.817 121.648 -3.831 1
1 1 . 5 1 1 A 6 6 SER HA H 6 4.443 5.224 -0.781 1
1 4 . 5 1 1 A 6 6 SER C C 6 174.977 174.803 0.174 1
1 5 . 5 1 1 A 6 6 SER CA C 6 58.518 56.965 1.553 1
1 6 . 5 1 1 A 6 6 SER CB C 6 63.628 66.618 -2.990 1
1 7 . 5 1 1 A 7 7 GLY H H 7 8.375 8.231 0.144 1
1 8 . 5 1 1 A 7 7 GLY HA2 H 7 3.943 3.991 -0.048 1
1 9 . 5 1 1 A 7 7 GLY HA3 H 7 3.943 4.024 -0.081 1
1 10 . 5 1 1 A 7 7 GLY C C 7 174.013 174.548 -0.535 1
1 11 . 5 1 1 A 7 7 GLY CA C 7 45.265 45.535 -0.270 1
1 12 . 5 1 1 A 7 7 GLY N N 7 110.641 111.943 -1.302 1
1 13 . 5 1 1 A 8 8 GLU H H 8 8.221 7.994 0.227 1
1 14 . 5 1 1 A 8 8 GLU HA H 8 4.211 4.261 -0.050 1
1 19 . 5 1 1 A 8 8 GLU C C 8 176.367 176.115 0.252 1
1 20 . 5 1 1 A 8 8 GLU CA C 8 56.659 56.034 0.625 1
1 21 . 5 1 1 A 8 8 GLU CB C 8 30.440 28.575 1.865 1
1 23 . 5 1 1 A 8 8 GLU N N 8 120.286 119.684 0.602 1
1 24 . 5 1 1 A 9 9 LYS H H 9 8.366 8.189 0.177 1
1 25 . 5 1 1 A 9 9 LYS HA H 9 4.523 4.026 0.497 1
1 34 . 5 1 1 A 9 9 LYS C C 9 174.265 176.597 -2.332 1
1 35 . 5 1 1 A 9 9 LYS CA C 9 53.760 56.851 -3.091 1
1 36 . 5 1 1 A 9 9 LYS CB C 9 32.697 30.395 2.302 1
1 40 . 5 1 1 A 9 9 LYS N N 9 122.243 114.082 8.161 1
1 41 . 5 1 1 A 10 10 PRO HA H 10 4.279 4.455 -0.176 1
1 48 . 5 1 1 A 10 10 PRO C C 10 176.457 175.726 0.731 1
1 49 . 5 1 1 A 10 10 PRO CA C 10 63.415 64.772 -1.357 1
1 50 . 5 1 1 A 10 10 PRO CB C 10 32.074 31.551 0.523 1
1 53 . 5 1 1 A 11 11 TYR H H 11 8.273 7.198 1.075 1
1 54 . 5 1 1 A 11 11 TYR HA H 11 4.715 5.070 -0.355 1
1 61 . 5 1 1 A 11 11 TYR C C 11 174.995 175.801 -0.806 1
1 62 . 5 1 1 A 11 11 TYR CA C 11 56.584 56.545 0.039 1
1 63 . 5 1 1 A 11 11 TYR CB C 11 38.169 41.094 -2.925 1
1 68 . 5 1 1 A 11 11 TYR N N 11 118.862 118.770 0.092 1
1 69 . 5 1 1 A 12 12 GLY H H 12 8.221 8.837 -0.616 1
1 70 . 5 1 1 A 12 12 GLY HA2 H 12 3.613 4.489 -0.876 1
1 71 . 5 1 1 A 12 12 GLY HA3 H 12 4.865 4.563 0.302 1
1 72 . 5 1 1 A 12 12 GLY C C 12 173.074 172.147 0.927 1
1 73 . 5 1 1 A 12 12 GLY CA C 12 44.870 45.155 -0.285 1
1 74 . 5 1 1 A 12 12 GLY N N 12 110.093 109.854 0.239 1
1 75 . 5 1 1 A 13 13 CYS H H 13 9.115 8.988 0.127 1
1 76 . 5 1 1 A 13 13 CYS HA H 13 4.665 4.803 -0.138 1
1 79 . 5 1 1 A 13 13 CYS C C 13 177.041 175.902 1.139 1
1 80 . 5 1 1 A 13 13 CYS CA C 13 58.883 58.232 0.651 1
1 81 . 5 1 1 A 13 13 CYS CB C 13 29.920 28.751 1.169 1
1 82 . 5 1 1 A 13 13 CYS N N 13 123.945 119.240 4.705 1
1 83 . 5 1 1 A 14 14 ASN H H 14 9.374 9.006 0.368 1
1 84 . 5 1 1 A 14 14 ASN HA H 14 4.550 4.475 0.075 1
1 89 . 5 1 1 A 14 14 ASN C C 14 175.484 177.580 -2.096 1
1 90 . 5 1 1 A 14 14 ASN CA C 14 55.420 56.080 -0.660 1
1 91 . 5 1 1 A 14 14 ASN CB C 14 38.238 38.076 0.162 1
1 92 . 5 1 1 A 14 14 ASN N N 14 129.983 126.079 3.904 1
1 94 . 5 1 1 A 15 15 GLU H H 15 8.645 8.342 0.303 1
1 95 . 5 1 1 A 15 15 GLU HA H 15 4.212 4.003 0.209 1
1 100 . 5 1 1 A 15 15 GLU C C 15 177.052 177.987 -0.935 1
1 101 . 5 1 1 A 15 15 GLU CA C 15 58.326 59.226 -0.900 1
1 102 . 5 1 1 A 15 15 GLU CB C 15 29.466 29.020 0.446 1
1 104 . 5 1 1 A 15 15 GLU N N 15 120.926 120.265 0.661 1
1 105 . 5 1 1 A 16 16 CYS H H 16 7.846 7.775 0.071 1
1 106 . 5 1 1 A 16 16 CYS HA H 16 5.144 4.637 0.507 1
1 109 . 5 1 1 A 16 16 CYS C C 16 176.147 175.406 0.741 1
1 110 . 5 1 1 A 16 16 CYS CA C 16 58.213 59.600 -1.387 1
1 111 . 5 1 1 A 16 16 CYS CB C 16 32.251 29.786 2.465 1
1 112 . 5 1 1 A 16 16 CYS N N 16 114.327 114.718 -0.391 1
1 113 . 5 1 1 A 17 17 GLY H H 17 8.188 7.794 0.394 1
1 114 . 5 1 1 A 17 17 GLY HA2 H 17 3.875 4.064 -0.189 1
1 115 . 5 1 1 A 17 17 GLY HA3 H 17 4.202 4.070 0.132 1
1 116 . 5 1 1 A 17 17 GLY C C 17 174.225 174.601 -0.376 1
1 117 . 5 1 1 A 17 17 GLY CA C 17 46.360 44.909 1.451 1
1 118 . 5 1 1 A 17 17 GLY N N 17 113.009 109.792 3.217 1
1 119 . 5 1 1 A 18 18 LYS H H 18 7.801 7.515 0.286 1
1 120 . 5 1 1 A 18 18 LYS HA H 18 4.087 4.137 -0.050 1
1 129 . 5 1 1 A 18 18 LYS C C 18 173.597 175.149 -1.552 1
1 130 . 5 1 1 A 18 18 LYS CA C 18 57.553 55.968 1.585 1
1 131 . 5 1 1 A 18 18 LYS CB C 18 34.123 33.362 0.761 1
1 135 . 5 1 1 A 18 18 LYS N N 18 122.310 122.517 -0.207 1
1 136 . 5 1 1 A 19 19 ASP H H 19 7.782 8.091 -0.309 1
1 137 . 5 1 1 A 19 19 ASP HA H 19 5.140 5.362 -0.222 1
1 140 . 5 1 1 A 19 19 ASP C C 19 174.660 174.243 0.417 1
1 141 . 5 1 1 A 19 19 ASP CA C 19 52.887 52.407 0.480 1
1 142 . 5 1 1 A 19 19 ASP CB C 19 43.759 44.489 -0.730 1
1 143 . 5 1 1 A 19 19 ASP N N 19 118.910 124.008 -5.098 1
1 144 . 5 1 1 A 20 20 PHE H H 20 8.207 8.961 -0.754 1
1 145 . 5 1 1 A 20 20 PHE HA H 20 4.735 4.948 -0.213 1
1 153 . 5 1 1 A 20 20 PHE C C 20 175.997 175.858 0.139 1
1 154 . 5 1 1 A 20 20 PHE CA C 20 57.637 57.214 0.423 1
1 155 . 5 1 1 A 20 20 PHE CB C 20 43.683 43.162 0.521 1
1 161 . 5 1 1 A 20 20 PHE N N 20 116.189 121.874 -5.685 1
1 162 . 5 1 1 A 21 21 SER H H 21 9.247 8.964 0.283 1
1 163 . 5 1 1 A 21 21 SER HA H 21 4.557 4.688 -0.131 1
1 166 . 5 1 1 A 21 21 SER C C 21 173.988 174.712 -0.724 1
1 167 . 5 1 1 A 21 21 SER CA C 21 59.854 60.564 -0.710 1
1 168 . 5 1 1 A 21 21 SER CB C 21 63.994 64.260 -0.266 1
1 169 . 5 1 1 A 21 21 SER N N 21 114.221 117.046 -2.825 1
1 170 . 5 1 1 A 22 22 SER H H 22 7.490 8.098 -0.608 1
1 171 . 5 1 1 A 22 22 SER HA H 22 4.473 4.648 -0.175 1
1 174 . 5 1 1 A 22 22 SER C C 22 173.228 174.189 -0.961 1
1 175 . 5 1 1 A 22 22 SER CA C 22 56.284 56.304 -0.020 1
1 176 . 5 1 1 A 22 22 SER CB C 22 66.196 64.782 1.414 1
1 177 . 5 1 1 A 22 22 SER N N 22 113.081 115.475 -2.394 1
1 178 . 5 1 1 A 23 23 LYS H H 23 8.298 8.531 -0.233 1
1 179 . 5 1 1 A 23 23 LYS HA H 23 3.376 3.033 0.343 1
1 188 . 5 1 1 A 23 23 LYS C C 23 177.950 177.455 0.495 1
1 189 . 5 1 1 A 23 23 LYS CA C 23 58.783 59.200 -0.417 1
1 190 . 5 1 1 A 23 23 LYS CB C 23 31.851 31.407 0.444 1
1 194 . 5 1 1 A 23 23 LYS N N 23 124.483 126.876 -2.393 1
1 195 . 5 1 1 A 24 24 SER H H 24 8.124 7.582 0.542 1
1 196 . 5 1 1 A 24 24 SER HA H 24 3.971 3.994 -0.023 1
1 199 . 5 1 1 A 24 24 SER C C 24 176.849 176.823 0.026 1
1 200 . 5 1 1 A 24 24 SER CA C 24 61.969 61.256 0.713 1
1 201 . 5 1 1 A 24 24 SER CB C 24 61.969 62.934 -0.965 1
1 202 . 5 1 1 A 24 24 SER N N 24 113.002 113.977 -0.975 1
1 203 . 5 1 1 A 25 25 TYR H H 25 7.305 7.902 -0.597 1
1 204 . 5 1 1 A 25 25 TYR HA H 25 4.325 4.278 0.047 1
1 211 . 5 1 1 A 25 25 TYR C C 25 178.583 177.815 0.768 1
1 212 . 5 1 1 A 25 25 TYR CA C 25 59.396 60.316 -0.920 1
1 213 . 5 1 1 A 25 25 TYR CB C 25 37.560 37.826 -0.266 1
1 218 . 5 1 1 A 25 25 TYR N N 25 119.444 120.055 -0.611 1
1 219 . 5 1 1 A 26 26 LEU H H 26 7.358 7.776 -0.418 1
1 220 . 5 1 1 A 26 26 LEU HA H 26 3.339 3.190 0.149 1
1 230 . 5 1 1 A 26 26 LEU C C 26 177.371 178.589 -1.218 1
1 231 . 5 1 1 A 26 26 LEU CA C 26 58.191 57.859 0.332 1
1 232 . 5 1 1 A 26 26 LEU CB C 26 40.695 41.776 -1.081 1
1 236 . 5 1 1 A 26 26 LEU N N 26 122.536 120.420 2.116 1
1 237 . 5 1 1 A 27 27 ILE H H 27 8.225 7.937 0.288 1
1 238 . 5 1 1 A 27 27 ILE HA H 27 3.778 3.635 0.143 1
1 248 . 5 1 1 A 27 27 ILE C C 27 179.086 178.659 0.427 1
1 249 . 5 1 1 A 27 27 ILE CA C 27 64.790 65.223 -0.433 1
1 250 . 5 1 1 A 27 27 ILE CB C 27 37.725 37.651 0.074 1
1 254 . 5 1 1 A 27 27 ILE N N 27 119.370 119.748 -0.378 1
1 255 . 5 1 1 A 28 28 VAL H H 28 7.394 8.072 -0.678 1
1 256 . 5 1 1 A 28 28 VAL HA H 28 3.507 3.536 -0.029 1
1 264 . 5 1 1 A 28 28 VAL C C 28 178.897 178.199 0.698 1
1 265 . 5 1 1 A 28 28 VAL CA C 28 66.606 66.100 0.506 1
1 266 . 5 1 1 A 28 28 VAL CB C 28 31.929 31.714 0.215 1
1 269 . 5 1 1 A 28 28 VAL N N 28 118.982 120.798 -1.816 1
1 270 . 5 1 1 A 29 29 HIS H H 29 7.587 7.922 -0.335 1
1 271 . 5 1 1 A 29 29 HIS HA H 29 4.134 4.175 -0.041 1
1 276 . 5 1 1 A 29 29 HIS C C 29 176.397 177.009 -0.612 1
1 277 . 5 1 1 A 29 29 HIS CA C 29 59.312 59.801 -0.489 1
1 278 . 5 1 1 A 29 29 HIS CB C 29 27.959 29.607 -1.648 1
1 281 . 5 1 1 A 29 29 HIS N N 29 119.908 119.488 0.420 1
1 282 . 5 1 1 A 30 30 GLN H H 30 8.502 8.594 -0.092 1
1 283 . 5 1 1 A 30 30 GLN HA H 30 3.615 4.035 -0.420 1
1 290 . 5 1 1 A 30 30 GLN C C 30 177.427 178.700 -1.273 1
1 291 . 5 1 1 A 30 30 GLN CA C 30 59.579 59.057 0.522 1
1 292 . 5 1 1 A 30 30 GLN CB C 30 28.227 28.462 -0.235 1
1 294 . 5 1 1 A 30 30 GLN N N 30 115.041 117.416 -2.375 1
1 296 . 5 1 1 A 31 31 ARG H H 31 7.242 7.966 -0.724 1
1 297 . 5 1 1 A 31 31 ARG HA H 31 4.142 4.436 -0.294 1
1 304 . 5 1 1 A 31 31 ARG C C 31 178.802 179.224 -0.422 1
1 305 . 5 1 1 A 31 31 ARG CA C 31 58.548 59.098 -0.550 1
1 306 . 5 1 1 A 31 31 ARG CB C 31 30.083 29.898 0.185 1
1 309 . 5 1 1 A 31 31 ARG N N 31 118.327 119.881 -1.554 1
1 310 . 5 1 1 A 32 32 ILE H H 32 7.871 7.963 -0.092 1
1 311 . 5 1 1 A 32 32 ILE HA H 32 3.947 3.785 0.162 1
1 321 . 5 1 1 A 32 32 ILE C C 32 177.496 176.595 0.901 1
1 322 . 5 1 1 A 32 32 ILE CA C 32 63.124 62.963 0.161 1
1 323 . 5 1 1 A 32 32 ILE CB C 32 37.609 37.311 0.298 1
1 327 . 5 1 1 A 32 32 ILE N N 32 116.287 117.178 -0.891 1
1 328 . 5 1 1 A 33 33 HIS H H 33 7.158 7.644 -0.486 1
1 329 . 5 1 1 A 33 33 HIS HA H 33 4.846 4.584 0.262 1
1 334 . 5 1 1 A 33 33 HIS C C 33 176.000 175.192 0.808 1
1 335 . 5 1 1 A 33 33 HIS CA C 33 55.125 56.977 -1.852 1
1 336 . 5 1 1 A 33 33 HIS CB C 33 28.536 31.492 -2.956 1
1 339 . 5 1 1 A 33 33 HIS N N 33 117.660 118.969 -1.309 1
1 340 . 5 1 1 A 34 34 THR H H 34 7.811 7.469 0.342 1
1 341 . 5 1 1 A 34 34 THR HA H 34 4.320 4.287 0.033 1
1 346 . 5 1 1 A 34 34 THR C C 34 175.641 174.261 1.380 1
1 347 . 5 1 1 A 34 34 THR CA C 34 62.869 61.800 1.069 1
1 348 . 5 1 1 A 34 34 THR CB C 34 69.771 70.676 -0.905 1
1 350 . 5 1 1 A 34 34 THR N N 34 112.089 111.505 0.584 1
1 351 . 5 1 1 A 35 35 GLY H H 35 8.210 8.188 0.022 1
1 352 . 5 1 1 A 35 35 GLY HA2 H 35 4.019 3.977 0.042 1
1 353 . 5 1 1 A 35 35 GLY HA3 H 35 3.944 3.983 -0.039 1
1 354 . 5 1 1 A 35 35 GLY C C 35 174.359 174.740 -0.381 1
1 355 . 5 1 1 A 35 35 GLY CA C 35 45.494 45.520 -0.026 1
1 356 . 5 1 1 A 35 35 GLY N N 35 110.437 108.837 1.600 1
1 357 . 5 1 1 A 36 36 GLU H H 36 8.085 8.030 0.055 1
1 358 . 5 1 1 A 36 36 GLU HA H 36 4.214 4.262 -0.048 1
1 363 . 5 1 1 A 36 36 GLU C C 36 176.485 176.569 -0.084 1
1 364 . 5 1 1 A 36 36 GLU CA C 36 56.691 57.143 -0.452 1
1 365 . 5 1 1 A 36 36 GLU CB C 36 30.455 30.147 0.308 1
1 367 . 5 1 1 A 36 36 GLU N N 36 120.789 120.771 0.018 1
1 368 . 5 1 1 A 37 37 LYS H H 37 8.316 8.839 -0.523 1
1 369 . 5 1 1 A 37 37 LYS HA H 37 4.313 3.833 0.480 1
1 378 . 5 1 1 A 37 37 LYS C C 37 176.554 176.530 0.024 1
1 379 . 5 1 1 A 37 37 LYS CA C 37 56.270 58.940 -2.670 1
1 380 . 5 1 1 A 37 37 LYS CB C 37 32.830 32.087 0.743 1
1 384 . 5 1 1 A 37 37 LYS N N 37 122.204 126.990 -4.786 1
1 385 . 5 1 1 A 38 38 LEU H H 38 8.295 7.993 0.302 1
1 386 . 5 1 1 A 38 38 LEU HA H 38 4.390 4.041 0.349 1
1 396 . 5 1 1 A 38 38 LEU C C 38 177.408 176.116 1.292 1
1 397 . 5 1 1 A 38 38 LEU CA C 38 55.081 55.664 -0.583 1
1 398 . 5 1 1 A 38 38 LEU CB C 38 42.248 39.769 2.479 1
1 402 . 5 1 1 A 38 38 LEU N N 38 123.561 117.327 6.234 1
1 403 . 5 1 1 A 39 39 SER H H 39 8.293 7.936 0.357 1
1 404 . 5 1 1 A 39 39 SER HA H 39 4.487 4.184 0.303 1
1 407 . 5 1 1 A 39 39 SER C C 39 174.479 175.537 -1.058 1
1 408 . 5 1 1 A 39 39 SER CA C 39 58.221 60.650 -2.429 1
1 409 . 5 1 1 A 39 39 SER CB C 39 63.918 62.672 1.246 1
1 410 . 5 1 1 A 39 39 SER N N 39 116.483 116.093 0.390 1
1 411 . 5 1 1 A 40 40 GLY H H 40 8.210 8.749 -0.539 1
1 412 . 5 1 1 A 40 40 GLY HA2 H 40 4.163 4.103 0.060 1
1 413 . 5 1 1 A 40 40 GLY HA3 H 40 4.097 4.103 -0.006 1
1 414 . 5 1 1 A 40 40 GLY C C 40 171.732 174.843 -3.111 1
1 415 . 5 1 1 A 40 40 GLY CA C 40 44.672 45.499 -0.827 1
1 416 . 5 1 1 A 40 40 GLY N N 40 110.630 114.448 -3.818 1
1 417 . 5 1 1 A 41 41 PRO HA H 41 4.476 4.341 0.135 1
1 424 . 5 1 1 A 41 41 PRO C C 41 177.357 176.801 0.556 1
1 425 . 5 1 1 A 41 41 PRO CA C 41 63.215 64.763 -1.548 1
1 426 . 5 1 1 A 41 41 PRO CB C 41 32.212 32.067 0.145 1
1 429 . 5 1 1 A 42 42 SER H H 42 8.535 7.747 0.788 1
1 430 . 5 1 1 A 42 42 SER HA H 42 4.470 4.483 -0.013 1
1 433 . 5 1 1 A 42 42 SER C C 42 174.589 174.115 0.474 1
1 434 . 5 1 1 A 42 42 SER CA C 42 58.435 58.200 0.235 1
1 435 . 5 1 1 A 42 42 SER CB C 42 63.984 63.711 0.273 1
1 436 . 5 1 1 A 42 42 SER N N 42 116.375 111.740 4.635 1
1 437 . 5 1 1 A 43 43 SER H H 43 8.303 8.658 -0.355 1
1 438 . 5 1 1 A 43 43 SER HA H 43 4.457 4.362 0.095 1
1 441 . 5 1 1 A 43 43 SER C C 43 173.896 174.936 -1.040 1
1 442 . 5 1 1 A 43 43 SER CA C 43 58.281 59.283 -1.002 1
1 443 . 5 1 1 A 43 43 SER CB C 43 64.036 63.604 0.432 1
1 444 . 5 1 1 A 43 43 SER N N 43 117.817 118.375 -0.558 1
1 1 . 6 1 1 A 6 6 SER HA H 6 4.443 4.132 0.311 1
1 4 . 6 1 1 A 6 6 SER C C 6 174.977 174.576 0.401 1
1 5 . 6 1 1 A 6 6 SER CA C 6 58.518 59.052 -0.534 1
1 6 . 6 1 1 A 6 6 SER CB C 6 63.628 60.923 2.705 1
1 7 . 6 1 1 A 7 7 GLY H H 7 8.375 7.944 0.431 1
1 8 . 6 1 1 A 7 7 GLY HA2 H 7 3.943 4.093 -0.150 1
1 9 . 6 1 1 A 7 7 GLY HA3 H 7 3.943 4.095 -0.152 1
1 10 . 6 1 1 A 7 7 GLY C C 7 174.013 173.591 0.422 1
1 11 . 6 1 1 A 7 7 GLY CA C 7 45.265 45.698 -0.433 1
1 12 . 6 1 1 A 7 7 GLY N N 7 110.641 108.156 2.485 1
1 13 . 6 1 1 A 8 8 GLU H H 8 8.221 8.116 0.105 1
1 14 . 6 1 1 A 8 8 GLU HA H 8 4.211 4.472 -0.261 1
1 19 . 6 1 1 A 8 8 GLU C C 8 176.367 175.269 1.098 1
1 20 . 6 1 1 A 8 8 GLU CA C 8 56.659 56.214 0.445 1
1 21 . 6 1 1 A 8 8 GLU CB C 8 30.440 31.961 -1.521 1
1 23 . 6 1 1 A 8 8 GLU N N 8 120.286 119.356 0.930 1
1 24 . 6 1 1 A 9 9 LYS H H 9 8.366 8.844 -0.478 1
1 25 . 6 1 1 A 9 9 LYS HA H 9 4.523 3.931 0.592 1
1 34 . 6 1 1 A 9 9 LYS C C 9 174.265 176.593 -2.328 1
1 35 . 6 1 1 A 9 9 LYS CA C 9 53.760 56.862 -3.102 1
1 36 . 6 1 1 A 9 9 LYS CB C 9 32.697 30.250 2.447 1
1 40 . 6 1 1 A 9 9 LYS N N 9 122.243 127.166 -4.923 1
1 41 . 6 1 1 A 10 10 PRO HA H 10 4.279 4.466 -0.187 1
1 48 . 6 1 1 A 10 10 PRO C C 10 176.457 175.841 0.616 1
1 49 . 6 1 1 A 10 10 PRO CA C 10 63.415 64.921 -1.506 1
1 50 . 6 1 1 A 10 10 PRO CB C 10 32.074 31.662 0.412 1
1 53 . 6 1 1 A 11 11 TYR H H 11 8.273 7.782 0.491 1
1 54 . 6 1 1 A 11 11 TYR HA H 11 4.715 4.993 -0.278 1
1 61 . 6 1 1 A 11 11 TYR C C 11 174.995 175.838 -0.843 1
1 62 . 6 1 1 A 11 11 TYR CA C 11 56.584 56.604 -0.020 1
1 63 . 6 1 1 A 11 11 TYR CB C 11 38.169 41.054 -2.885 1
1 68 . 6 1 1 A 11 11 TYR N N 11 118.862 118.743 0.119 1
1 69 . 6 1 1 A 12 12 GLY H H 12 8.221 8.759 -0.538 1
1 70 . 6 1 1 A 12 12 GLY HA2 H 12 3.613 4.417 -0.804 1
1 71 . 6 1 1 A 12 12 GLY HA3 H 12 4.865 4.504 0.361 1
1 72 . 6 1 1 A 12 12 GLY C C 12 173.074 172.065 1.009 1
1 73 . 6 1 1 A 12 12 GLY CA C 12 44.870 45.662 -0.792 1
1 74 . 6 1 1 A 12 12 GLY N N 12 110.093 109.874 0.219 1
1 75 . 6 1 1 A 13 13 CYS H H 13 9.115 9.136 -0.021 1
1 76 . 6 1 1 A 13 13 CYS HA H 13 4.665 5.013 -0.348 1
1 79 . 6 1 1 A 13 13 CYS C C 13 177.041 175.256 1.785 1
1 80 . 6 1 1 A 13 13 CYS CA C 13 58.883 58.368 0.515 1
1 81 . 6 1 1 A 13 13 CYS CB C 13 29.920 29.904 0.016 1
1 82 . 6 1 1 A 13 13 CYS N N 13 123.945 118.454 5.491 1
1 83 . 6 1 1 A 14 14 ASN H H 14 9.374 9.186 0.188 1
1 84 . 6 1 1 A 14 14 ASN HA H 14 4.550 4.663 -0.113 1
1 89 . 6 1 1 A 14 14 ASN C C 14 175.484 177.261 -1.777 1
1 90 . 6 1 1 A 14 14 ASN CA C 14 55.420 54.808 0.612 1
1 91 . 6 1 1 A 14 14 ASN CB C 14 38.238 39.215 -0.977 1
1 92 . 6 1 1 A 14 14 ASN N N 14 129.983 125.349 4.634 1
1 94 . 6 1 1 A 15 15 GLU H H 15 8.645 8.203 0.442 1
1 95 . 6 1 1 A 15 15 GLU HA H 15 4.212 3.924 0.288 1
1 100 . 6 1 1 A 15 15 GLU C C 15 177.052 178.193 -1.141 1
1 101 . 6 1 1 A 15 15 GLU CA C 15 58.326 59.234 -0.908 1
1 102 . 6 1 1 A 15 15 GLU CB C 15 29.466 28.734 0.732 1
1 104 . 6 1 1 A 15 15 GLU N N 15 120.926 118.723 2.203 1
1 105 . 6 1 1 A 16 16 CYS H H 16 7.846 7.252 0.594 1
1 106 . 6 1 1 A 16 16 CYS HA H 16 5.144 4.575 0.569 1
1 109 . 6 1 1 A 16 16 CYS C C 16 176.147 175.204 0.943 1
1 110 . 6 1 1 A 16 16 CYS CA C 16 58.213 59.721 -1.508 1
1 111 . 6 1 1 A 16 16 CYS CB C 16 32.251 29.626 2.625 1
1 112 . 6 1 1 A 16 16 CYS N N 16 114.327 114.930 -0.603 1
1 113 . 6 1 1 A 17 17 GLY H H 17 8.188 7.997 0.191 1
1 114 . 6 1 1 A 17 17 GLY HA2 H 17 3.875 4.063 -0.188 1
1 115 . 6 1 1 A 17 17 GLY HA3 H 17 4.202 4.072 0.130 1
1 116 . 6 1 1 A 17 17 GLY C C 17 174.225 174.678 -0.453 1
1 117 . 6 1 1 A 17 17 GLY CA C 17 46.360 45.018 1.342 1
1 118 . 6 1 1 A 17 17 GLY N N 17 113.009 110.106 2.903 1
1 119 . 6 1 1 A 18 18 LYS H H 18 7.801 7.542 0.259 1
1 120 . 6 1 1 A 18 18 LYS HA H 18 4.087 4.169 -0.082 1
1 129 . 6 1 1 A 18 18 LYS C C 18 173.597 175.223 -1.626 1
1 130 . 6 1 1 A 18 18 LYS CA C 18 57.553 56.001 1.552 1
1 131 . 6 1 1 A 18 18 LYS CB C 18 34.123 33.438 0.685 1
1 135 . 6 1 1 A 18 18 LYS N N 18 122.310 122.309 0.001 1
1 136 . 6 1 1 A 19 19 ASP H H 19 7.782 8.102 -0.320 1
1 137 . 6 1 1 A 19 19 ASP HA H 19 5.140 5.327 -0.187 1
1 140 . 6 1 1 A 19 19 ASP C C 19 174.660 174.089 0.571 1
1 141 . 6 1 1 A 19 19 ASP CA C 19 52.887 52.392 0.495 1
1 142 . 6 1 1 A 19 19 ASP CB C 19 43.759 44.757 -0.998 1
1 143 . 6 1 1 A 19 19 ASP N N 19 118.910 122.685 -3.775 1
1 144 . 6 1 1 A 20 20 PHE H H 20 8.207 8.848 -0.641 1
1 145 . 6 1 1 A 20 20 PHE HA H 20 4.735 4.869 -0.134 1
1 153 . 6 1 1 A 20 20 PHE C C 20 175.997 175.783 0.214 1
1 154 . 6 1 1 A 20 20 PHE CA C 20 57.637 57.118 0.519 1
1 155 . 6 1 1 A 20 20 PHE CB C 20 43.683 42.640 1.043 1
1 161 . 6 1 1 A 20 20 PHE N N 20 116.189 121.825 -5.636 1
1 162 . 6 1 1 A 21 21 SER H H 21 9.247 9.064 0.183 1
1 163 . 6 1 1 A 21 21 SER HA H 21 4.557 4.619 -0.062 1
1 166 . 6 1 1 A 21 21 SER C C 21 173.988 174.584 -0.596 1
1 167 . 6 1 1 A 21 21 SER CA C 21 59.854 61.509 -1.655 1
1 168 . 6 1 1 A 21 21 SER CB C 21 63.994 63.445 0.549 1
1 169 . 6 1 1 A 21 21 SER N N 21 114.221 119.277 -5.056 1
1 170 . 6 1 1 A 22 22 SER H H 22 7.490 8.051 -0.561 1
1 171 . 6 1 1 A 22 22 SER HA H 22 4.473 4.583 -0.110 1
1 174 . 6 1 1 A 22 22 SER C C 22 173.228 173.651 -0.423 1
1 175 . 6 1 1 A 22 22 SER CA C 22 56.284 56.640 -0.356 1
1 176 . 6 1 1 A 22 22 SER CB C 22 66.196 65.423 0.773 1
1 177 . 6 1 1 A 22 22 SER N N 22 113.081 115.800 -2.719 1
1 178 . 6 1 1 A 23 23 LYS H H 23 8.298 8.585 -0.287 1
1 179 . 6 1 1 A 23 23 LYS HA H 23 3.376 3.362 0.014 1
1 188 . 6 1 1 A 23 23 LYS C C 23 177.950 178.018 -0.068 1
1 189 . 6 1 1 A 23 23 LYS CA C 23 58.783 57.729 1.054 1
1 190 . 6 1 1 A 23 23 LYS CB C 23 31.851 32.187 -0.336 1
1 194 . 6 1 1 A 23 23 LYS N N 23 124.483 125.565 -1.082 1
1 195 . 6 1 1 A 24 24 SER H H 24 8.124 8.086 0.038 1
1 196 . 6 1 1 A 24 24 SER HA H 24 3.971 4.005 -0.034 1
1 199 . 6 1 1 A 24 24 SER C C 24 176.849 176.490 0.359 1
1 200 . 6 1 1 A 24 24 SER CA C 24 61.969 61.117 0.852 1
1 201 . 6 1 1 A 24 24 SER CB C 24 61.969 62.203 -0.234 1
1 202 . 6 1 1 A 24 24 SER N N 24 113.002 115.591 -2.589 1
1 203 . 6 1 1 A 25 25 TYR H H 25 7.305 7.672 -0.367 1
1 204 . 6 1 1 A 25 25 TYR HA H 25 4.325 4.256 0.069 1
1 211 . 6 1 1 A 25 25 TYR C C 25 178.583 177.823 0.760 1
1 212 . 6 1 1 A 25 25 TYR CA C 25 59.396 60.601 -1.205 1
1 213 . 6 1 1 A 25 25 TYR CB C 25 37.560 37.969 -0.409 1
1 218 . 6 1 1 A 25 25 TYR N N 25 119.444 119.275 0.169 1
1 219 . 6 1 1 A 26 26 LEU H H 26 7.358 7.520 -0.162 1
1 220 . 6 1 1 A 26 26 LEU HA H 26 3.339 3.250 0.089 1
1 230 . 6 1 1 A 26 26 LEU C C 26 177.371 178.373 -1.002 1
1 231 . 6 1 1 A 26 26 LEU CA C 26 58.191 57.642 0.549 1
1 232 . 6 1 1 A 26 26 LEU CB C 26 40.695 41.774 -1.079 1
1 236 . 6 1 1 A 26 26 LEU N N 26 122.536 120.947 1.589 1
1 237 . 6 1 1 A 27 27 ILE H H 27 8.225 7.903 0.322 1
1 238 . 6 1 1 A 27 27 ILE HA H 27 3.778 3.653 0.125 1
1 248 . 6 1 1 A 27 27 ILE C C 27 179.086 178.571 0.515 1
1 249 . 6 1 1 A 27 27 ILE CA C 27 64.790 65.118 -0.328 1
1 250 . 6 1 1 A 27 27 ILE CB C 27 37.725 37.588 0.137 1
1 254 . 6 1 1 A 27 27 ILE N N 27 119.370 119.697 -0.327 1
1 255 . 6 1 1 A 28 28 VAL H H 28 7.394 7.971 -0.577 1
1 256 . 6 1 1 A 28 28 VAL HA H 28 3.507 3.531 -0.024 1
1 264 . 6 1 1 A 28 28 VAL C C 28 178.897 178.088 0.809 1
1 265 . 6 1 1 A 28 28 VAL CA C 28 66.606 66.186 0.420 1
1 266 . 6 1 1 A 28 28 VAL CB C 28 31.929 31.679 0.250 1
1 269 . 6 1 1 A 28 28 VAL N N 28 118.982 121.092 -2.110 1
1 270 . 6 1 1 A 29 29 HIS H H 29 7.587 7.888 -0.301 1
1 271 . 6 1 1 A 29 29 HIS HA H 29 4.134 4.218 -0.084 1
1 276 . 6 1 1 A 29 29 HIS C C 29 176.397 177.234 -0.837 1
1 277 . 6 1 1 A 29 29 HIS CA C 29 59.312 59.863 -0.551 1
1 278 . 6 1 1 A 29 29 HIS CB C 29 27.959 29.490 -1.531 1
1 281 . 6 1 1 A 29 29 HIS N N 29 119.908 119.444 0.464 1
1 282 . 6 1 1 A 30 30 GLN H H 30 8.502 8.663 -0.161 1
1 283 . 6 1 1 A 30 30 GLN HA H 30 3.615 4.005 -0.390 1
1 290 . 6 1 1 A 30 30 GLN C C 30 177.427 178.562 -1.135 1
1 291 . 6 1 1 A 30 30 GLN CA C 30 59.579 59.061 0.518 1
1 292 . 6 1 1 A 30 30 GLN CB C 30 28.227 28.344 -0.117 1
1 294 . 6 1 1 A 30 30 GLN N N 30 115.041 117.309 -2.268 1
1 296 . 6 1 1 A 31 31 ARG H H 31 7.242 7.944 -0.702 1
1 297 . 6 1 1 A 31 31 ARG HA H 31 4.142 4.434 -0.292 1
1 304 . 6 1 1 A 31 31 ARG C C 31 178.802 179.172 -0.370 1
1 305 . 6 1 1 A 31 31 ARG CA C 31 58.548 59.045 -0.497 1
1 306 . 6 1 1 A 31 31 ARG CB C 31 30.083 29.849 0.234 1
1 309 . 6 1 1 A 31 31 ARG N N 31 118.327 119.844 -1.517 1
1 310 . 6 1 1 A 32 32 ILE H H 32 7.871 8.008 -0.137 1
1 311 . 6 1 1 A 32 32 ILE HA H 32 3.947 3.778 0.169 1
1 321 . 6 1 1 A 32 32 ILE C C 32 177.496 176.801 0.695 1
1 322 . 6 1 1 A 32 32 ILE CA C 32 63.124 63.190 -0.066 1
1 323 . 6 1 1 A 32 32 ILE CB C 32 37.609 37.258 0.351 1
1 327 . 6 1 1 A 32 32 ILE N N 32 116.287 117.239 -0.952 1
1 328 . 6 1 1 A 33 33 HIS H H 33 7.158 7.662 -0.504 1
1 329 . 6 1 1 A 33 33 HIS HA H 33 4.846 4.613 0.233 1
1 334 . 6 1 1 A 33 33 HIS C C 33 176.000 175.210 0.790 1
1 335 . 6 1 1 A 33 33 HIS CA C 33 55.125 56.939 -1.814 1
1 336 . 6 1 1 A 33 33 HIS CB C 33 28.536 31.494 -2.958 1
1 339 . 6 1 1 A 33 33 HIS N N 33 117.660 118.968 -1.308 1
1 340 . 6 1 1 A 34 34 THR H H 34 7.811 7.271 0.540 1
1 341 . 6 1 1 A 34 34 THR HA H 34 4.320 4.221 0.099 1
1 346 . 6 1 1 A 34 34 THR C C 34 175.641 174.352 1.289 1
1 347 . 6 1 1 A 34 34 THR CA C 34 62.869 61.692 1.177 1
1 348 . 6 1 1 A 34 34 THR CB C 34 69.771 70.387 -0.616 1
1 350 . 6 1 1 A 34 34 THR N N 34 112.089 111.863 0.226 1
1 351 . 6 1 1 A 35 35 GLY H H 35 8.210 8.423 -0.213 1
1 352 . 6 1 1 A 35 35 GLY HA2 H 35 4.019 4.171 -0.152 1
1 353 . 6 1 1 A 35 35 GLY HA3 H 35 3.944 4.176 -0.232 1
1 354 . 6 1 1 A 35 35 GLY C C 35 174.359 172.463 1.896 1
1 355 . 6 1 1 A 35 35 GLY CA C 35 45.494 45.642 -0.148 1
1 356 . 6 1 1 A 35 35 GLY N N 35 110.437 109.192 1.245 1
1 357 . 6 1 1 A 36 36 GLU H H 36 8.085 8.948 -0.863 1
1 358 . 6 1 1 A 36 36 GLU HA H 36 4.214 4.665 -0.451 1
1 363 . 6 1 1 A 36 36 GLU C C 36 176.485 176.304 0.181 1
1 364 . 6 1 1 A 36 36 GLU CA C 36 56.691 55.061 1.630 1
1 365 . 6 1 1 A 36 36 GLU CB C 36 30.455 31.274 -0.819 1
1 367 . 6 1 1 A 36 36 GLU N N 36 120.789 123.931 -3.142 1
1 368 . 6 1 1 A 37 37 LYS H H 37 8.316 8.585 -0.269 1
1 369 . 6 1 1 A 37 37 LYS HA H 37 4.313 3.770 0.543 1
1 378 . 6 1 1 A 37 37 LYS C C 37 176.554 174.789 1.765 1
1 379 . 6 1 1 A 37 37 LYS CA C 37 56.270 57.191 -0.921 1
1 380 . 6 1 1 A 37 37 LYS CB C 37 32.830 29.442 3.388 1
1 384 . 6 1 1 A 37 37 LYS N N 37 122.204 122.069 0.135 1
1 385 . 6 1 1 A 38 38 LEU H H 38 8.295 7.607 0.688 1
1 386 . 6 1 1 A 38 38 LEU HA H 38 4.390 4.788 -0.398 1
1 396 . 6 1 1 A 38 38 LEU C C 38 177.408 177.280 0.128 1
1 397 . 6 1 1 A 38 38 LEU CA C 38 55.081 53.270 1.811 1
1 398 . 6 1 1 A 38 38 LEU CB C 38 42.248 44.004 -1.756 1
1 402 . 6 1 1 A 38 38 LEU N N 38 123.561 119.292 4.269 1
1 403 . 6 1 1 A 39 39 SER H H 39 8.293 8.794 -0.501 1
1 404 . 6 1 1 A 39 39 SER HA H 39 4.487 4.268 0.219 1
1 407 . 6 1 1 A 39 39 SER C C 39 174.479 174.204 0.275 1
1 408 . 6 1 1 A 39 39 SER CA C 39 58.221 59.714 -1.493 1
1 409 . 6 1 1 A 39 39 SER CB C 39 63.918 63.812 0.106 1
1 410 . 6 1 1 A 39 39 SER N N 39 116.483 115.629 0.854 1
1 411 . 6 1 1 A 40 40 GLY H H 40 8.210 7.754 0.456 1
1 412 . 6 1 1 A 40 40 GLY HA2 H 40 4.163 4.064 0.099 1
1 413 . 6 1 1 A 40 40 GLY HA3 H 40 4.097 4.067 0.030 1
1 414 . 6 1 1 A 40 40 GLY C C 40 171.732 173.420 -1.688 1
1 415 . 6 1 1 A 40 40 GLY CA C 40 44.672 43.900 0.772 1
1 416 . 6 1 1 A 40 40 GLY N N 40 110.630 108.794 1.836 1
1 417 . 6 1 1 A 41 41 PRO HA H 41 4.476 4.492 -0.016 1
1 424 . 6 1 1 A 41 41 PRO C C 41 177.357 176.801 0.556 1
1 425 . 6 1 1 A 41 41 PRO CA C 41 63.215 62.850 0.365 1
1 426 . 6 1 1 A 41 41 PRO CB C 41 32.212 32.003 0.209 1
1 429 . 6 1 1 A 42 42 SER H H 42 8.535 8.541 -0.006 1
1 430 . 6 1 1 A 42 42 SER HA H 42 4.470 4.293 0.177 1
1 433 . 6 1 1 A 42 42 SER C C 42 174.589 174.504 0.085 1
1 434 . 6 1 1 A 42 42 SER CA C 42 58.435 58.731 -0.296 1
1 435 . 6 1 1 A 42 42 SER CB C 42 63.984 63.719 0.265 1
1 436 . 6 1 1 A 42 42 SER N N 42 116.375 118.492 -2.117 1
1 437 . 6 1 1 A 43 43 SER H H 43 8.303 9.002 -0.699 1
1 438 . 6 1 1 A 43 43 SER HA H 43 4.457 4.772 -0.315 1
1 441 . 6 1 1 A 43 43 SER C C 43 173.896 174.709 -0.813 1
1 442 . 6 1 1 A 43 43 SER CA C 43 58.281 58.352 -0.071 1
1 443 . 6 1 1 A 43 43 SER CB C 43 64.036 64.914 -0.878 1
1 444 . 6 1 1 A 43 43 SER N N 43 117.817 119.114 -1.297 1
1 1 . 7 1 1 A 6 6 SER HA H 6 4.443 5.314 -0.871 1
1 4 . 7 1 1 A 6 6 SER C C 6 174.977 173.215 1.762 1
1 5 . 7 1 1 A 6 6 SER CA C 6 58.518 57.749 0.769 1
1 6 . 7 1 1 A 6 6 SER CB C 6 63.628 66.059 -2.431 1
1 7 . 7 1 1 A 7 7 GLY H H 7 8.375 8.703 -0.328 1
1 8 . 7 1 1 A 7 7 GLY HA2 H 7 3.943 4.261 -0.318 1
1 9 . 7 1 1 A 7 7 GLY HA3 H 7 3.943 4.270 -0.327 1
1 10 . 7 1 1 A 7 7 GLY C C 7 174.013 172.969 1.044 1
1 11 . 7 1 1 A 7 7 GLY CA C 7 45.265 45.353 -0.088 1
1 12 . 7 1 1 A 7 7 GLY N N 7 110.641 111.965 -1.324 1
1 13 . 7 1 1 A 8 8 GLU H H 8 8.221 8.258 -0.037 1
1 14 . 7 1 1 A 8 8 GLU HA H 8 4.211 4.711 -0.500 1
1 19 . 7 1 1 A 8 8 GLU C C 8 176.367 175.967 0.400 1
1 20 . 7 1 1 A 8 8 GLU CA C 8 56.659 54.969 1.690 1
1 21 . 7 1 1 A 8 8 GLU CB C 8 30.440 29.374 1.066 1
1 23 . 7 1 1 A 8 8 GLU N N 8 120.286 118.078 2.208 1
1 24 . 7 1 1 A 9 9 LYS H H 9 8.366 8.498 -0.132 1
1 25 . 7 1 1 A 9 9 LYS HA H 9 4.523 4.050 0.473 1
1 34 . 7 1 1 A 9 9 LYS C C 9 174.265 176.252 -1.987 1
1 35 . 7 1 1 A 9 9 LYS CA C 9 53.760 56.742 -2.982 1
1 36 . 7 1 1 A 9 9 LYS CB C 9 32.697 30.349 2.348 1
1 40 . 7 1 1 A 9 9 LYS N N 9 122.243 115.723 6.520 1
1 41 . 7 1 1 A 10 10 PRO HA H 10 4.279 4.421 -0.142 1
1 48 . 7 1 1 A 10 10 PRO C C 10 176.457 175.745 0.712 1
1 49 . 7 1 1 A 10 10 PRO CA C 10 63.415 64.977 -1.562 1
1 50 . 7 1 1 A 10 10 PRO CB C 10 32.074 31.666 0.408 1
1 53 . 7 1 1 A 11 11 TYR H H 11 8.273 7.657 0.616 1
1 54 . 7 1 1 A 11 11 TYR HA H 11 4.715 4.968 -0.253 1
1 61 . 7 1 1 A 11 11 TYR C C 11 174.995 175.997 -1.002 1
1 62 . 7 1 1 A 11 11 TYR CA C 11 56.584 56.477 0.107 1
1 63 . 7 1 1 A 11 11 TYR CB C 11 38.169 41.085 -2.916 1
1 68 . 7 1 1 A 11 11 TYR N N 11 118.862 118.974 -0.112 1
1 69 . 7 1 1 A 12 12 GLY H H 12 8.221 8.767 -0.546 1
1 70 . 7 1 1 A 12 12 GLY HA2 H 12 3.613 4.374 -0.761 1
1 71 . 7 1 1 A 12 12 GLY HA3 H 12 4.865 4.516 0.349 1
1 72 . 7 1 1 A 12 12 GLY C C 12 173.074 172.083 0.991 1
1 73 . 7 1 1 A 12 12 GLY CA C 12 44.870 45.913 -1.043 1
1 74 . 7 1 1 A 12 12 GLY N N 12 110.093 109.226 0.867 1
1 75 . 7 1 1 A 13 13 CYS H H 13 9.115 9.122 -0.007 1
1 76 . 7 1 1 A 13 13 CYS HA H 13 4.665 4.875 -0.210 1
1 79 . 7 1 1 A 13 13 CYS C C 13 177.041 175.340 1.701 1
1 80 . 7 1 1 A 13 13 CYS CA C 13 58.883 57.977 0.906 1
1 81 . 7 1 1 A 13 13 CYS CB C 13 29.920 30.185 -0.265 1
1 82 . 7 1 1 A 13 13 CYS N N 13 123.945 118.718 5.227 1
1 83 . 7 1 1 A 14 14 ASN H H 14 9.374 9.007 0.367 1
1 84 . 7 1 1 A 14 14 ASN HA H 14 4.550 4.521 0.029 1
1 89 . 7 1 1 A 14 14 ASN C C 14 175.484 177.601 -2.117 1
1 90 . 7 1 1 A 14 14 ASN CA C 14 55.420 55.498 -0.078 1
1 91 . 7 1 1 A 14 14 ASN CB C 14 38.238 38.497 -0.259 1
1 92 . 7 1 1 A 14 14 ASN N N 14 129.983 126.298 3.685 1
1 94 . 7 1 1 A 15 15 GLU H H 15 8.645 8.357 0.288 1
1 95 . 7 1 1 A 15 15 GLU HA H 15 4.212 3.935 0.277 1
1 100 . 7 1 1 A 15 15 GLU C C 15 177.052 178.147 -1.095 1
1 101 . 7 1 1 A 15 15 GLU CA C 15 58.326 59.230 -0.904 1
1 102 . 7 1 1 A 15 15 GLU CB C 15 29.466 29.140 0.326 1
1 104 . 7 1 1 A 15 15 GLU N N 15 120.926 120.224 0.702 1
1 105 . 7 1 1 A 16 16 CYS H H 16 7.846 7.684 0.162 1
1 106 . 7 1 1 A 16 16 CYS HA H 16 5.144 4.508 0.636 1
1 109 . 7 1 1 A 16 16 CYS C C 16 176.147 175.226 0.921 1
1 110 . 7 1 1 A 16 16 CYS CA C 16 58.213 59.636 -1.423 1
1 111 . 7 1 1 A 16 16 CYS CB C 16 32.251 29.541 2.710 1
1 112 . 7 1 1 A 16 16 CYS N N 16 114.327 114.893 -0.566 1
1 113 . 7 1 1 A 17 17 GLY H H 17 8.188 8.010 0.178 1
1 114 . 7 1 1 A 17 17 GLY HA2 H 17 3.875 4.061 -0.186 1
1 115 . 7 1 1 A 17 17 GLY HA3 H 17 4.202 4.072 0.130 1
1 116 . 7 1 1 A 17 17 GLY C C 17 174.225 174.218 0.007 1
1 117 . 7 1 1 A 17 17 GLY CA C 17 46.360 45.210 1.150 1
1 118 . 7 1 1 A 17 17 GLY N N 17 113.009 110.265 2.744 1
1 119 . 7 1 1 A 18 18 LYS H H 18 7.801 7.440 0.361 1
1 120 . 7 1 1 A 18 18 LYS HA H 18 4.087 4.658 -0.571 1
1 129 . 7 1 1 A 18 18 LYS C C 18 173.597 174.565 -0.968 1
1 130 . 7 1 1 A 18 18 LYS CA C 18 57.553 55.030 2.523 1
1 131 . 7 1 1 A 18 18 LYS CB C 18 34.123 34.024 0.099 1
1 135 . 7 1 1 A 18 18 LYS N N 18 122.310 121.462 0.848 1
1 136 . 7 1 1 A 19 19 ASP H H 19 7.782 8.339 -0.557 1
1 137 . 7 1 1 A 19 19 ASP HA H 19 5.140 5.584 -0.444 1
1 140 . 7 1 1 A 19 19 ASP C C 19 174.660 173.805 0.855 1
1 141 . 7 1 1 A 19 19 ASP CA C 19 52.887 52.744 0.143 1
1 142 . 7 1 1 A 19 19 ASP CB C 19 43.759 44.891 -1.132 1
1 143 . 7 1 1 A 19 19 ASP N N 19 118.910 122.124 -3.214 1
1 144 . 7 1 1 A 20 20 PHE H H 20 8.207 8.502 -0.295 1
1 145 . 7 1 1 A 20 20 PHE HA H 20 4.735 4.977 -0.242 1
1 153 . 7 1 1 A 20 20 PHE C C 20 175.997 175.878 0.119 1
1 154 . 7 1 1 A 20 20 PHE CA C 20 57.637 56.627 1.010 1
1 155 . 7 1 1 A 20 20 PHE CB C 20 43.683 42.603 1.080 1
1 161 . 7 1 1 A 20 20 PHE N N 20 116.189 120.493 -4.304 1
1 162 . 7 1 1 A 21 21 SER H H 21 9.247 8.836 0.411 1
1 163 . 7 1 1 A 21 21 SER HA H 21 4.557 4.373 0.184 1
1 166 . 7 1 1 A 21 21 SER C C 21 173.988 175.124 -1.136 1
1 167 . 7 1 1 A 21 21 SER CA C 21 59.854 62.313 -2.459 1
1 168 . 7 1 1 A 21 21 SER CB C 21 63.994 62.976 1.018 1
1 169 . 7 1 1 A 21 21 SER N N 21 114.221 118.660 -4.439 1
1 170 . 7 1 1 A 22 22 SER H H 22 7.490 8.501 -1.011 1
1 171 . 7 1 1 A 22 22 SER HA H 22 4.473 4.754 -0.281 1
1 174 . 7 1 1 A 22 22 SER C C 22 173.228 174.220 -0.992 1
1 175 . 7 1 1 A 22 22 SER CA C 22 56.284 57.601 -1.317 1
1 176 . 7 1 1 A 22 22 SER CB C 22 66.196 65.476 0.720 1
1 177 . 7 1 1 A 22 22 SER N N 22 113.081 116.441 -3.360 1
1 178 . 7 1 1 A 23 23 LYS H H 23 8.298 8.493 -0.195 1
1 179 . 7 1 1 A 23 23 LYS HA H 23 3.376 3.303 0.073 1
1 188 . 7 1 1 A 23 23 LYS C C 23 177.950 178.014 -0.064 1
1 189 . 7 1 1 A 23 23 LYS CA C 23 58.783 59.504 -0.721 1
1 190 . 7 1 1 A 23 23 LYS CB C 23 31.851 31.480 0.371 1
1 194 . 7 1 1 A 23 23 LYS N N 23 124.483 125.458 -0.975 1
1 195 . 7 1 1 A 24 24 SER H H 24 8.124 8.120 0.004 1
1 196 . 7 1 1 A 24 24 SER HA H 24 3.971 4.032 -0.061 1
1 199 . 7 1 1 A 24 24 SER C C 24 176.849 176.750 0.099 1
1 200 . 7 1 1 A 24 24 SER CA C 24 61.969 61.106 0.863 1
1 201 . 7 1 1 A 24 24 SER CB C 24 61.969 62.083 -0.114 1
1 202 . 7 1 1 A 24 24 SER N N 24 113.002 115.403 -2.401 1
1 203 . 7 1 1 A 25 25 TYR H H 25 7.305 8.008 -0.703 1
1 204 . 7 1 1 A 25 25 TYR HA H 25 4.325 4.370 -0.045 1
1 211 . 7 1 1 A 25 25 TYR C C 25 178.583 177.935 0.648 1
1 212 . 7 1 1 A 25 25 TYR CA C 25 59.396 60.738 -1.342 1
1 213 . 7 1 1 A 25 25 TYR CB C 25 37.560 37.938 -0.378 1
1 218 . 7 1 1 A 25 25 TYR N N 25 119.444 119.395 0.049 1
1 219 . 7 1 1 A 26 26 LEU H H 26 7.358 7.670 -0.312 1
1 220 . 7 1 1 A 26 26 LEU HA H 26 3.339 2.920 0.419 1
1 230 . 7 1 1 A 26 26 LEU C C 26 177.371 178.394 -1.023 1
1 231 . 7 1 1 A 26 26 LEU CA C 26 58.191 57.560 0.631 1
1 232 . 7 1 1 A 26 26 LEU CB C 26 40.695 41.641 -0.946 1
1 236 . 7 1 1 A 26 26 LEU N N 26 122.536 120.877 1.659 1
1 237 . 7 1 1 A 27 27 ILE H H 27 8.225 8.378 -0.153 1
1 238 . 7 1 1 A 27 27 ILE HA H 27 3.778 3.617 0.161 1
1 248 . 7 1 1 A 27 27 ILE C C 27 179.086 178.583 0.503 1
1 249 . 7 1 1 A 27 27 ILE CA C 27 64.790 65.100 -0.310 1
1 250 . 7 1 1 A 27 27 ILE CB C 27 37.725 37.687 0.038 1
1 254 . 7 1 1 A 27 27 ILE N N 27 119.370 119.658 -0.288 1
1 255 . 7 1 1 A 28 28 VAL H H 28 7.394 8.085 -0.691 1
1 256 . 7 1 1 A 28 28 VAL HA H 28 3.507 3.585 -0.078 1
1 264 . 7 1 1 A 28 28 VAL C C 28 178.897 178.096 0.801 1
1 265 . 7 1 1 A 28 28 VAL CA C 28 66.606 66.017 0.589 1
1 266 . 7 1 1 A 28 28 VAL CB C 28 31.929 31.754 0.175 1
1 269 . 7 1 1 A 28 28 VAL N N 28 118.982 121.359 -2.377 1
1 270 . 7 1 1 A 29 29 HIS H H 29 7.587 7.981 -0.394 1
1 271 . 7 1 1 A 29 29 HIS HA H 29 4.134 4.188 -0.054 1
1 276 . 7 1 1 A 29 29 HIS C C 29 176.397 177.072 -0.675 1
1 277 . 7 1 1 A 29 29 HIS CA C 29 59.312 59.728 -0.416 1
1 278 . 7 1 1 A 29 29 HIS CB C 29 27.959 29.608 -1.649 1
1 281 . 7 1 1 A 29 29 HIS N N 29 119.908 119.633 0.275 1
1 282 . 7 1 1 A 30 30 GLN H H 30 8.502 8.629 -0.127 1
1 283 . 7 1 1 A 30 30 GLN HA H 30 3.615 4.025 -0.410 1
1 290 . 7 1 1 A 30 30 GLN C C 30 177.427 178.652 -1.225 1
1 291 . 7 1 1 A 30 30 GLN CA C 30 59.579 59.242 0.337 1
1 292 . 7 1 1 A 30 30 GLN CB C 30 28.227 28.368 -0.141 1
1 294 . 7 1 1 A 30 30 GLN N N 30 115.041 117.274 -2.233 1
1 296 . 7 1 1 A 31 31 ARG H H 31 7.242 8.038 -0.796 1
1 297 . 7 1 1 A 31 31 ARG HA H 31 4.142 4.080 0.062 1
1 304 . 7 1 1 A 31 31 ARG C C 31 178.802 179.132 -0.330 1
1 305 . 7 1 1 A 31 31 ARG CA C 31 58.548 59.037 -0.489 1
1 306 . 7 1 1 A 31 31 ARG CB C 31 30.083 29.824 0.259 1
1 309 . 7 1 1 A 31 31 ARG N N 31 118.327 119.891 -1.564 1
1 310 . 7 1 1 A 32 32 ILE H H 32 7.871 8.166 -0.295 1
1 311 . 7 1 1 A 32 32 ILE HA H 32 3.947 4.127 -0.180 1
1 321 . 7 1 1 A 32 32 ILE C C 32 177.496 176.330 1.166 1
1 322 . 7 1 1 A 32 32 ILE CA C 32 63.124 63.109 0.015 1
1 323 . 7 1 1 A 32 32 ILE CB C 32 37.609 37.218 0.391 1
1 327 . 7 1 1 A 32 32 ILE N N 32 116.287 117.281 -0.994 1
1 328 . 7 1 1 A 33 33 HIS H H 33 7.158 7.725 -0.567 1
1 329 . 7 1 1 A 33 33 HIS HA H 33 4.846 4.746 0.100 1
1 334 . 7 1 1 A 33 33 HIS C C 33 176.000 175.492 0.508 1
1 335 . 7 1 1 A 33 33 HIS CA C 33 55.125 55.444 -0.319 1
1 336 . 7 1 1 A 33 33 HIS CB C 33 28.536 29.642 -1.106 1
1 339 . 7 1 1 A 33 33 HIS N N 33 117.660 119.567 -1.907 1
1 340 . 7 1 1 A 34 34 THR H H 34 7.811 8.299 -0.488 1
1 341 . 7 1 1 A 34 34 THR HA H 34 4.320 4.538 -0.218 1
1 346 . 7 1 1 A 34 34 THR C C 34 175.641 175.908 -0.267 1
1 347 . 7 1 1 A 34 34 THR CA C 34 62.869 62.235 0.634 1
1 348 . 7 1 1 A 34 34 THR CB C 34 69.771 70.167 -0.396 1
1 350 . 7 1 1 A 34 34 THR N N 34 112.089 110.626 1.463 1
1 351 . 7 1 1 A 35 35 GLY H H 35 8.210 7.378 0.832 1
1 352 . 7 1 1 A 35 35 GLY HA2 H 35 4.019 4.072 -0.053 1
1 353 . 7 1 1 A 35 35 GLY HA3 H 35 3.944 4.077 -0.133 1
1 354 . 7 1 1 A 35 35 GLY C C 35 174.359 174.345 0.014 1
1 355 . 7 1 1 A 35 35 GLY CA C 35 45.494 45.703 -0.209 1
1 356 . 7 1 1 A 35 35 GLY N N 35 110.437 108.957 1.480 1
1 357 . 7 1 1 A 36 36 GLU H H 36 8.085 7.771 0.314 1
1 358 . 7 1 1 A 36 36 GLU HA H 36 4.214 4.284 -0.070 1
1 363 . 7 1 1 A 36 36 GLU C C 36 176.485 176.395 0.090 1
1 364 . 7 1 1 A 36 36 GLU CA C 36 56.691 56.000 0.691 1
1 365 . 7 1 1 A 36 36 GLU CB C 36 30.455 29.080 1.375 1
1 367 . 7 1 1 A 36 36 GLU N N 36 120.789 121.855 -1.066 1
1 368 . 7 1 1 A 37 37 LYS H H 37 8.316 8.416 -0.100 1
1 369 . 7 1 1 A 37 37 LYS HA H 37 4.313 4.564 -0.251 1
1 378 . 7 1 1 A 37 37 LYS C C 37 176.554 177.110 -0.556 1
1 379 . 7 1 1 A 37 37 LYS CA C 37 56.270 55.106 1.164 1
1 380 . 7 1 1 A 37 37 LYS CB C 37 32.830 33.027 -0.197 1
1 384 . 7 1 1 A 37 37 LYS N N 37 122.204 127.401 -5.197 1
1 385 . 7 1 1 A 38 38 LEU H H 38 8.295 7.723 0.572 1
1 386 . 7 1 1 A 38 38 LEU HA H 38 4.390 4.312 0.078 1
1 396 . 7 1 1 A 38 38 LEU C C 38 177.408 177.340 0.068 1
1 397 . 7 1 1 A 38 38 LEU CA C 38 55.081 56.223 -1.142 1
1 398 . 7 1 1 A 38 38 LEU CB C 38 42.248 43.224 -0.976 1
1 402 . 7 1 1 A 38 38 LEU N N 38 123.561 124.517 -0.956 1
1 403 . 7 1 1 A 39 39 SER H H 39 8.293 7.906 0.387 1
1 404 . 7 1 1 A 39 39 SER HA H 39 4.487 4.271 0.216 1
1 407 . 7 1 1 A 39 39 SER C C 39 174.479 174.946 -0.467 1
1 408 . 7 1 1 A 39 39 SER CA C 39 58.221 59.947 -1.726 1
1 409 . 7 1 1 A 39 39 SER CB C 39 63.918 62.833 1.085 1
1 410 . 7 1 1 A 39 39 SER N N 39 116.483 114.435 2.048 1
1 411 . 7 1 1 A 40 40 GLY H H 40 8.210 8.512 -0.302 1
1 412 . 7 1 1 A 40 40 GLY HA2 H 40 4.163 4.105 0.058 1
1 413 . 7 1 1 A 40 40 GLY HA3 H 40 4.097 4.109 -0.012 1
1 414 . 7 1 1 A 40 40 GLY C C 40 171.732 173.462 -1.730 1
1 415 . 7 1 1 A 40 40 GLY CA C 40 44.672 43.748 0.924 1
1 416 . 7 1 1 A 40 40 GLY N N 40 110.630 110.811 -0.181 1
1 417 . 7 1 1 A 41 41 PRO HA H 41 4.476 4.650 -0.174 1
1 424 . 7 1 1 A 41 41 PRO C C 41 177.357 175.266 2.091 1
1 425 . 7 1 1 A 41 41 PRO CA C 41 63.215 62.578 0.637 1
1 426 . 7 1 1 A 41 41 PRO CB C 41 32.212 33.014 -0.802 1
1 429 . 7 1 1 A 42 42 SER H H 42 8.535 8.518 0.017 1
1 430 . 7 1 1 A 42 42 SER HA H 42 4.470 5.127 -0.657 1
1 433 . 7 1 1 A 42 42 SER C C 42 174.589 173.417 1.172 1
1 434 . 7 1 1 A 42 42 SER CA C 42 58.435 58.126 0.309 1
1 435 . 7 1 1 A 42 42 SER CB C 42 63.984 64.759 -0.775 1
1 436 . 7 1 1 A 42 42 SER N N 42 116.375 117.816 -1.441 1
1 437 . 7 1 1 A 43 43 SER H H 43 8.303 8.832 -0.529 1
1 438 . 7 1 1 A 43 43 SER HA H 43 4.457 4.879 -0.422 1
1 441 . 7 1 1 A 43 43 SER C C 43 173.896 174.551 -0.655 1
1 442 . 7 1 1 A 43 43 SER CA C 43 58.281 57.041 1.240 1
1 443 . 7 1 1 A 43 43 SER CB C 43 64.036 63.433 0.603 1
1 444 . 7 1 1 A 43 43 SER N N 43 117.817 120.288 -2.471 1
1 1 . 8 1 1 A 6 6 SER HA H 6 4.443 4.569 -0.126 1
1 4 . 8 1 1 A 6 6 SER C C 6 174.977 174.044 0.933 1
1 5 . 8 1 1 A 6 6 SER CA C 6 58.518 58.026 0.492 1
1 6 . 8 1 1 A 6 6 SER CB C 6 63.628 61.621 2.007 1
1 7 . 8 1 1 A 7 7 GLY H H 7 8.375 8.145 0.230 1
1 8 . 8 1 1 A 7 7 GLY HA2 H 7 3.943 4.176 -0.233 1
1 9 . 8 1 1 A 7 7 GLY HA3 H 7 3.943 4.180 -0.237 1
1 10 . 8 1 1 A 7 7 GLY C C 7 174.013 173.054 0.959 1
1 11 . 8 1 1 A 7 7 GLY CA C 7 45.265 45.759 -0.494 1
1 12 . 8 1 1 A 7 7 GLY N N 7 110.641 112.483 -1.842 1
1 13 . 8 1 1 A 8 8 GLU H H 8 8.221 8.409 -0.188 1
1 14 . 8 1 1 A 8 8 GLU HA H 8 4.211 4.653 -0.442 1
1 19 . 8 1 1 A 8 8 GLU C C 8 176.367 176.252 0.115 1
1 20 . 8 1 1 A 8 8 GLU CA C 8 56.659 55.175 1.484 1
1 21 . 8 1 1 A 8 8 GLU CB C 8 30.440 30.869 -0.429 1
1 23 . 8 1 1 A 8 8 GLU N N 8 120.286 119.616 0.670 1
1 24 . 8 1 1 A 9 9 LYS H H 9 8.366 8.699 -0.333 1
1 25 . 8 1 1 A 9 9 LYS HA H 9 4.523 4.116 0.407 1
1 34 . 8 1 1 A 9 9 LYS C C 9 174.265 176.470 -2.205 1
1 35 . 8 1 1 A 9 9 LYS CA C 9 53.760 56.789 -3.029 1
1 36 . 8 1 1 A 9 9 LYS CB C 9 32.697 30.175 2.522 1
1 40 . 8 1 1 A 9 9 LYS N N 9 122.243 123.285 -1.042 1
1 41 . 8 1 1 A 10 10 PRO HA H 10 4.279 4.481 -0.202 1
1 48 . 8 1 1 A 10 10 PRO C C 10 176.457 175.841 0.616 1
1 49 . 8 1 1 A 10 10 PRO CA C 10 63.415 64.764 -1.349 1
1 50 . 8 1 1 A 10 10 PRO CB C 10 32.074 31.567 0.507 1
1 53 . 8 1 1 A 11 11 TYR H H 11 8.273 7.698 0.575 1
1 54 . 8 1 1 A 11 11 TYR HA H 11 4.715 4.985 -0.270 1
1 61 . 8 1 1 A 11 11 TYR C C 11 174.995 175.819 -0.824 1
1 62 . 8 1 1 A 11 11 TYR CA C 11 56.584 56.675 -0.091 1
1 63 . 8 1 1 A 11 11 TYR CB C 11 38.169 40.980 -2.811 1
1 68 . 8 1 1 A 11 11 TYR N N 11 118.862 118.972 -0.110 1
1 69 . 8 1 1 A 12 12 GLY H H 12 8.221 8.794 -0.573 1
1 70 . 8 1 1 A 12 12 GLY HA2 H 12 3.613 4.435 -0.822 1
1 71 . 8 1 1 A 12 12 GLY HA3 H 12 4.865 4.568 0.297 1
1 72 . 8 1 1 A 12 12 GLY C C 12 173.074 172.082 0.992 1
1 73 . 8 1 1 A 12 12 GLY CA C 12 44.870 45.632 -0.762 1
1 74 . 8 1 1 A 12 12 GLY N N 12 110.093 109.535 0.558 1
1 75 . 8 1 1 A 13 13 CYS H H 13 9.115 9.063 0.052 1
1 76 . 8 1 1 A 13 13 CYS HA H 13 4.665 4.796 -0.131 1
1 79 . 8 1 1 A 13 13 CYS C C 13 177.041 175.953 1.088 1
1 80 . 8 1 1 A 13 13 CYS CA C 13 58.883 58.147 0.736 1
1 81 . 8 1 1 A 13 13 CYS CB C 13 29.920 29.468 0.452 1
1 82 . 8 1 1 A 13 13 CYS N N 13 123.945 119.132 4.813 1
1 83 . 8 1 1 A 14 14 ASN H H 14 9.374 9.150 0.224 1
1 84 . 8 1 1 A 14 14 ASN HA H 14 4.550 4.434 0.116 1
1 89 . 8 1 1 A 14 14 ASN C C 14 175.484 177.180 -1.696 1
1 90 . 8 1 1 A 14 14 ASN CA C 14 55.420 56.066 -0.646 1
1 91 . 8 1 1 A 14 14 ASN CB C 14 38.238 38.285 -0.047 1
1 92 . 8 1 1 A 14 14 ASN N N 14 129.983 127.738 2.245 1
1 94 . 8 1 1 A 15 15 GLU H H 15 8.645 8.445 0.200 1
1 95 . 8 1 1 A 15 15 GLU HA H 15 4.212 3.976 0.236 1
1 100 . 8 1 1 A 15 15 GLU C C 15 177.052 178.055 -1.003 1
1 101 . 8 1 1 A 15 15 GLU CA C 15 58.326 59.190 -0.864 1
1 102 . 8 1 1 A 15 15 GLU CB C 15 29.466 28.975 0.491 1
1 104 . 8 1 1 A 15 15 GLU N N 15 120.926 118.605 2.321 1
1 105 . 8 1 1 A 16 16 CYS H H 16 7.846 7.746 0.100 1
1 106 . 8 1 1 A 16 16 CYS HA H 16 5.144 4.558 0.586 1
1 109 . 8 1 1 A 16 16 CYS C C 16 176.147 175.234 0.913 1
1 110 . 8 1 1 A 16 16 CYS CA C 16 58.213 59.581 -1.368 1
1 111 . 8 1 1 A 16 16 CYS CB C 16 32.251 29.640 2.611 1
1 112 . 8 1 1 A 16 16 CYS N N 16 114.327 114.894 -0.567 1
1 113 . 8 1 1 A 17 17 GLY H H 17 8.188 7.978 0.210 1
1 114 . 8 1 1 A 17 17 GLY HA2 H 17 3.875 4.065 -0.190 1
1 115 . 8 1 1 A 17 17 GLY HA3 H 17 4.202 4.076 0.126 1
1 116 . 8 1 1 A 17 17 GLY C C 17 174.225 174.335 -0.110 1
1 117 . 8 1 1 A 17 17 GLY CA C 17 46.360 45.207 1.153 1
1 118 . 8 1 1 A 17 17 GLY N N 17 113.009 110.096 2.913 1
1 119 . 8 1 1 A 18 18 LYS H H 18 7.801 7.928 -0.127 1
1 120 . 8 1 1 A 18 18 LYS HA H 18 4.087 4.531 -0.444 1
1 129 . 8 1 1 A 18 18 LYS C C 18 173.597 175.080 -1.483 1
1 130 . 8 1 1 A 18 18 LYS CA C 18 57.553 55.489 2.064 1
1 131 . 8 1 1 A 18 18 LYS CB C 18 34.123 33.906 0.217 1
1 135 . 8 1 1 A 18 18 LYS N N 18 122.310 121.453 0.857 1
1 136 . 8 1 1 A 19 19 ASP H H 19 7.782 8.153 -0.371 1
1 137 . 8 1 1 A 19 19 ASP HA H 19 5.140 5.427 -0.287 1
1 140 . 8 1 1 A 19 19 ASP C C 19 174.660 174.793 -0.133 1
1 141 . 8 1 1 A 19 19 ASP CA C 19 52.887 52.630 0.257 1
1 142 . 8 1 1 A 19 19 ASP CB C 19 43.759 44.740 -0.981 1
1 143 . 8 1 1 A 19 19 ASP N N 19 118.910 122.465 -3.555 1
1 144 . 8 1 1 A 20 20 PHE H H 20 8.207 8.781 -0.574 1
1 145 . 8 1 1 A 20 20 PHE HA H 20 4.735 4.901 -0.166 1
1 153 . 8 1 1 A 20 20 PHE C C 20 175.997 175.652 0.345 1
1 154 . 8 1 1 A 20 20 PHE CA C 20 57.637 57.252 0.385 1
1 155 . 8 1 1 A 20 20 PHE CB C 20 43.683 43.095 0.588 1
1 161 . 8 1 1 A 20 20 PHE N N 20 116.189 120.603 -4.414 1
1 162 . 8 1 1 A 21 21 SER H H 21 9.247 9.102 0.145 1
1 163 . 8 1 1 A 21 21 SER HA H 21 4.557 4.575 -0.018 1
1 166 . 8 1 1 A 21 21 SER C C 21 173.988 173.444 0.544 1
1 167 . 8 1 1 A 21 21 SER CA C 21 59.854 61.386 -1.532 1
1 168 . 8 1 1 A 21 21 SER CB C 21 63.994 63.644 0.350 1
1 169 . 8 1 1 A 21 21 SER N N 21 114.221 118.810 -4.589 1
1 170 . 8 1 1 A 22 22 SER H H 22 7.490 8.364 -0.874 1
1 171 . 8 1 1 A 22 22 SER HA H 22 4.473 4.679 -0.206 1
1 174 . 8 1 1 A 22 22 SER C C 22 173.228 174.245 -1.017 1
1 175 . 8 1 1 A 22 22 SER CA C 22 56.284 57.113 -0.829 1
1 176 . 8 1 1 A 22 22 SER CB C 22 66.196 65.834 0.362 1
1 177 . 8 1 1 A 22 22 SER N N 22 113.081 112.675 0.406 1
1 178 . 8 1 1 A 23 23 LYS H H 23 8.298 8.229 0.069 1
1 179 . 8 1 1 A 23 23 LYS HA H 23 3.376 3.353 0.023 1
1 188 . 8 1 1 A 23 23 LYS C C 23 177.950 177.713 0.237 1
1 189 . 8 1 1 A 23 23 LYS CA C 23 58.783 59.700 -0.917 1
1 190 . 8 1 1 A 23 23 LYS CB C 23 31.851 31.937 -0.086 1
1 194 . 8 1 1 A 23 23 LYS N N 23 124.483 124.990 -0.507 1
1 195 . 8 1 1 A 24 24 SER H H 24 8.124 7.886 0.238 1
1 196 . 8 1 1 A 24 24 SER HA H 24 3.971 4.006 -0.035 1
1 199 . 8 1 1 A 24 24 SER C C 24 176.849 176.461 0.388 1
1 200 . 8 1 1 A 24 24 SER CA C 24 61.969 61.565 0.404 1
1 201 . 8 1 1 A 24 24 SER CB C 24 61.969 62.928 -0.959 1
1 202 . 8 1 1 A 24 24 SER N N 24 113.002 114.031 -1.029 1
1 203 . 8 1 1 A 25 25 TYR H H 25 7.305 7.902 -0.597 1
1 204 . 8 1 1 A 25 25 TYR HA H 25 4.325 4.372 -0.047 1
1 211 . 8 1 1 A 25 25 TYR C C 25 178.583 177.884 0.699 1
1 212 . 8 1 1 A 25 25 TYR CA C 25 59.396 60.905 -1.509 1
1 213 . 8 1 1 A 25 25 TYR CB C 25 37.560 38.106 -0.546 1
1 218 . 8 1 1 A 25 25 TYR N N 25 119.444 120.033 -0.589 1
1 219 . 8 1 1 A 26 26 LEU H H 26 7.358 7.722 -0.364 1
1 220 . 8 1 1 A 26 26 LEU HA H 26 3.339 2.726 0.613 1
1 230 . 8 1 1 A 26 26 LEU C C 26 177.371 178.314 -0.943 1
1 231 . 8 1 1 A 26 26 LEU CA C 26 58.191 57.718 0.473 1
1 232 . 8 1 1 A 26 26 LEU CB C 26 40.695 41.667 -0.972 1
1 236 . 8 1 1 A 26 26 LEU N N 26 122.536 120.790 1.746 1
1 237 . 8 1 1 A 27 27 ILE H H 27 8.225 8.203 0.022 1
1 238 . 8 1 1 A 27 27 ILE HA H 27 3.778 3.591 0.187 1
1 248 . 8 1 1 A 27 27 ILE C C 27 179.086 178.506 0.580 1
1 249 . 8 1 1 A 27 27 ILE CA C 27 64.790 65.279 -0.489 1
1 250 . 8 1 1 A 27 27 ILE CB C 27 37.725 37.724 0.001 1
1 254 . 8 1 1 A 27 27 ILE N N 27 119.370 119.618 -0.248 1
1 255 . 8 1 1 A 28 28 VAL H H 28 7.394 8.230 -0.836 1
1 256 . 8 1 1 A 28 28 VAL HA H 28 3.507 3.549 -0.042 1
1 264 . 8 1 1 A 28 28 VAL C C 28 178.897 178.246 0.651 1
1 265 . 8 1 1 A 28 28 VAL CA C 28 66.606 66.278 0.328 1
1 266 . 8 1 1 A 28 28 VAL CB C 28 31.929 31.576 0.353 1
1 269 . 8 1 1 A 28 28 VAL N N 28 118.982 120.426 -1.444 1
1 270 . 8 1 1 A 29 29 HIS H H 29 7.587 8.082 -0.495 1
1 271 . 8 1 1 A 29 29 HIS HA H 29 4.134 4.194 -0.060 1
1 276 . 8 1 1 A 29 29 HIS C C 29 176.397 177.045 -0.648 1
1 277 . 8 1 1 A 29 29 HIS CA C 29 59.312 59.589 -0.277 1
1 278 . 8 1 1 A 29 29 HIS CB C 29 27.959 29.778 -1.819 1
1 281 . 8 1 1 A 29 29 HIS N N 29 119.908 119.465 0.443 1
1 282 . 8 1 1 A 30 30 GLN H H 30 8.502 8.602 -0.100 1
1 283 . 8 1 1 A 30 30 GLN HA H 30 3.615 4.027 -0.412 1
1 290 . 8 1 1 A 30 30 GLN C C 30 177.427 178.630 -1.203 1
1 291 . 8 1 1 A 30 30 GLN CA C 30 59.579 59.397 0.182 1
1 292 . 8 1 1 A 30 30 GLN CB C 30 28.227 28.393 -0.166 1
1 294 . 8 1 1 A 30 30 GLN N N 30 115.041 117.404 -2.363 1
1 296 . 8 1 1 A 31 31 ARG H H 31 7.242 7.954 -0.712 1
1 297 . 8 1 1 A 31 31 ARG HA H 31 4.142 4.423 -0.281 1
1 304 . 8 1 1 A 31 31 ARG C C 31 178.802 179.144 -0.342 1
1 305 . 8 1 1 A 31 31 ARG CA C 31 58.548 59.056 -0.508 1
1 306 . 8 1 1 A 31 31 ARG CB C 31 30.083 29.776 0.307 1
1 309 . 8 1 1 A 31 31 ARG N N 31 118.327 120.022 -1.695 1
1 310 . 8 1 1 A 32 32 ILE H H 32 7.871 8.107 -0.236 1
1 311 . 8 1 1 A 32 32 ILE HA H 32 3.947 3.782 0.165 1
1 321 . 8 1 1 A 32 32 ILE C C 32 177.496 176.780 0.716 1
1 322 . 8 1 1 A 32 32 ILE CA C 32 63.124 63.177 -0.053 1
1 323 . 8 1 1 A 32 32 ILE CB C 32 37.609 37.276 0.333 1
1 327 . 8 1 1 A 32 32 ILE N N 32 116.287 117.267 -0.980 1
1 328 . 8 1 1 A 33 33 HIS H H 33 7.158 7.728 -0.570 1
1 329 . 8 1 1 A 33 33 HIS HA H 33 4.846 4.584 0.262 1
1 334 . 8 1 1 A 33 33 HIS C C 33 176.000 175.184 0.816 1
1 335 . 8 1 1 A 33 33 HIS CA C 33 55.125 56.993 -1.868 1
1 336 . 8 1 1 A 33 33 HIS CB C 33 28.536 31.524 -2.988 1
1 339 . 8 1 1 A 33 33 HIS N N 33 117.660 118.900 -1.240 1
1 340 . 8 1 1 A 34 34 THR H H 34 7.811 7.738 0.073 1
1 341 . 8 1 1 A 34 34 THR HA H 34 4.320 4.063 0.257 1
1 346 . 8 1 1 A 34 34 THR C C 34 175.641 174.790 0.851 1
1 347 . 8 1 1 A 34 34 THR CA C 34 62.869 63.133 -0.264 1
1 348 . 8 1 1 A 34 34 THR CB C 34 69.771 68.504 1.267 1
1 350 . 8 1 1 A 34 34 THR N N 34 112.089 112.590 -0.501 1
1 351 . 8 1 1 A 35 35 GLY H H 35 8.210 8.360 -0.150 1
1 352 . 8 1 1 A 35 35 GLY HA2 H 35 4.019 3.979 0.040 1
1 353 . 8 1 1 A 35 35 GLY HA3 H 35 3.944 3.982 -0.038 1
1 354 . 8 1 1 A 35 35 GLY C C 35 174.359 174.672 -0.313 1
1 355 . 8 1 1 A 35 35 GLY CA C 35 45.494 45.506 -0.012 1
1 356 . 8 1 1 A 35 35 GLY N N 35 110.437 111.809 -1.372 1
1 357 . 8 1 1 A 36 36 GLU H H 36 8.085 8.203 -0.118 1
1 358 . 8 1 1 A 36 36 GLU HA H 36 4.214 4.094 0.120 1
1 363 . 8 1 1 A 36 36 GLU C C 36 176.485 178.738 -2.253 1
1 364 . 8 1 1 A 36 36 GLU CA C 36 56.691 58.644 -1.953 1
1 365 . 8 1 1 A 36 36 GLU CB C 36 30.455 29.960 0.495 1
1 367 . 8 1 1 A 36 36 GLU N N 36 120.789 121.510 -0.721 1
1 368 . 8 1 1 A 37 37 LYS H H 37 8.316 8.152 0.164 1
1 369 . 8 1 1 A 37 37 LYS HA H 37 4.313 4.167 0.146 1
1 378 . 8 1 1 A 37 37 LYS C C 37 176.554 177.237 -0.683 1
1 379 . 8 1 1 A 37 37 LYS CA C 37 56.270 59.407 -3.137 1
1 380 . 8 1 1 A 37 37 LYS CB C 37 32.830 32.267 0.563 1
1 384 . 8 1 1 A 37 37 LYS N N 37 122.204 119.999 2.205 1
1 385 . 8 1 1 A 38 38 LEU H H 38 8.295 7.783 0.512 1
1 386 . 8 1 1 A 38 38 LEU HA H 38 4.390 4.161 0.229 1
1 396 . 8 1 1 A 38 38 LEU C C 38 177.408 175.839 1.569 1
1 397 . 8 1 1 A 38 38 LEU CA C 38 55.081 55.279 -0.198 1
1 398 . 8 1 1 A 38 38 LEU CB C 38 42.248 40.997 1.251 1
1 402 . 8 1 1 A 38 38 LEU N N 38 123.561 120.472 3.089 1
1 403 . 8 1 1 A 39 39 SER H H 39 8.293 8.565 -0.272 1
1 404 . 8 1 1 A 39 39 SER HA H 39 4.487 5.183 -0.696 1
1 407 . 8 1 1 A 39 39 SER C C 39 174.479 173.506 0.973 1
1 408 . 8 1 1 A 39 39 SER CA C 39 58.221 57.569 0.652 1
1 409 . 8 1 1 A 39 39 SER CB C 39 63.918 66.128 -2.210 1
1 410 . 8 1 1 A 39 39 SER N N 39 116.483 121.074 -4.591 1
1 411 . 8 1 1 A 40 40 GLY H H 40 8.210 8.323 -0.113 1
1 412 . 8 1 1 A 40 40 GLY HA2 H 40 4.163 4.052 0.111 1
1 413 . 8 1 1 A 40 40 GLY HA3 H 40 4.097 4.053 0.044 1
1 414 . 8 1 1 A 40 40 GLY C C 40 171.732 173.999 -2.267 1
1 415 . 8 1 1 A 40 40 GLY CA C 40 44.672 45.993 -1.321 1
1 416 . 8 1 1 A 40 40 GLY N N 40 110.630 111.587 -0.957 1
1 417 . 8 1 1 A 41 41 PRO HA H 41 4.476 4.442 0.034 1
1 424 . 8 1 1 A 41 41 PRO C C 41 177.357 176.213 1.144 1
1 425 . 8 1 1 A 41 41 PRO CA C 41 63.215 64.111 -0.896 1
1 426 . 8 1 1 A 41 41 PRO CB C 41 32.212 31.350 0.862 1
1 429 . 8 1 1 A 42 42 SER H H 42 8.535 8.104 0.431 1
1 430 . 8 1 1 A 42 42 SER HA H 42 4.470 4.733 -0.263 1
1 433 . 8 1 1 A 42 42 SER C C 42 174.589 173.514 1.075 1
1 434 . 8 1 1 A 42 42 SER CA C 42 58.435 57.635 0.800 1
1 435 . 8 1 1 A 42 42 SER CB C 42 63.984 62.983 1.001 1
1 436 . 8 1 1 A 42 42 SER N N 42 116.375 115.678 0.697 1
1 437 . 8 1 1 A 43 43 SER H H 43 8.303 8.689 -0.386 1
1 438 . 8 1 1 A 43 43 SER HA H 43 4.457 5.196 -0.739 1
1 441 . 8 1 1 A 43 43 SER C C 43 173.896 173.598 0.298 1
1 442 . 8 1 1 A 43 43 SER CA C 43 58.281 56.004 2.277 1
1 443 . 8 1 1 A 43 43 SER CB C 43 64.036 65.870 -1.834 1
1 444 . 8 1 1 A 43 43 SER N N 43 117.817 118.251 -0.434 1
1 1 . 9 1 1 A 6 6 SER HA H 6 4.443 4.701 -0.258 1
1 4 . 9 1 1 A 6 6 SER C C 6 174.977 175.890 -0.913 1
1 5 . 9 1 1 A 6 6 SER CA C 6 58.518 58.418 0.100 1
1 6 . 9 1 1 A 6 6 SER CB C 6 63.628 64.766 -1.138 1
1 7 . 9 1 1 A 7 7 GLY H H 7 8.375 8.599 -0.224 1
1 8 . 9 1 1 A 7 7 GLY HA2 H 7 3.943 3.996 -0.053 1
1 9 . 9 1 1 A 7 7 GLY HA3 H 7 3.943 4.000 -0.057 1
1 10 . 9 1 1 A 7 7 GLY C C 7 174.013 174.099 -0.086 1
1 11 . 9 1 1 A 7 7 GLY CA C 7 45.265 45.974 -0.709 1
1 12 . 9 1 1 A 7 7 GLY N N 7 110.641 110.240 0.401 1
1 13 . 9 1 1 A 8 8 GLU H H 8 8.221 7.843 0.378 1
1 14 . 9 1 1 A 8 8 GLU HA H 8 4.211 4.625 -0.414 1
1 19 . 9 1 1 A 8 8 GLU C C 8 176.367 175.524 0.843 1
1 20 . 9 1 1 A 8 8 GLU CA C 8 56.659 54.849 1.810 1
1 21 . 9 1 1 A 8 8 GLU CB C 8 30.440 30.346 0.094 1
1 23 . 9 1 1 A 8 8 GLU N N 8 120.286 119.945 0.341 1
1 24 . 9 1 1 A 9 9 LYS H H 9 8.366 8.704 -0.338 1
1 25 . 9 1 1 A 9 9 LYS HA H 9 4.523 4.035 0.488 1
1 34 . 9 1 1 A 9 9 LYS C C 9 174.265 176.426 -2.161 1
1 35 . 9 1 1 A 9 9 LYS CA C 9 53.760 56.796 -3.036 1
1 36 . 9 1 1 A 9 9 LYS CB C 9 32.697 30.398 2.299 1
1 40 . 9 1 1 A 9 9 LYS N N 9 122.243 125.636 -3.393 1
1 41 . 9 1 1 A 10 10 PRO HA H 10 4.279 4.446 -0.167 1
1 48 . 9 1 1 A 10 10 PRO C C 10 176.457 175.711 0.746 1
1 49 . 9 1 1 A 10 10 PRO CA C 10 63.415 64.771 -1.356 1
1 50 . 9 1 1 A 10 10 PRO CB C 10 32.074 31.622 0.452 1
1 53 . 9 1 1 A 11 11 TYR H H 11 8.273 7.649 0.624 1
1 54 . 9 1 1 A 11 11 TYR HA H 11 4.715 5.021 -0.306 1
1 61 . 9 1 1 A 11 11 TYR C C 11 174.995 175.950 -0.955 1
1 62 . 9 1 1 A 11 11 TYR CA C 11 56.584 56.467 0.117 1
1 63 . 9 1 1 A 11 11 TYR CB C 11 38.169 41.267 -3.098 1
1 68 . 9 1 1 A 11 11 TYR N N 11 118.862 118.975 -0.113 1
1 69 . 9 1 1 A 12 12 GLY H H 12 8.221 8.786 -0.565 1
1 70 . 9 1 1 A 12 12 GLY HA2 H 12 3.613 4.382 -0.769 1
1 71 . 9 1 1 A 12 12 GLY HA3 H 12 4.865 4.524 0.341 1
1 72 . 9 1 1 A 12 12 GLY C C 12 173.074 172.098 0.976 1
1 73 . 9 1 1 A 12 12 GLY CA C 12 44.870 45.829 -0.959 1
1 74 . 9 1 1 A 12 12 GLY N N 12 110.093 109.308 0.785 1
1 75 . 9 1 1 A 13 13 CYS H H 13 9.115 8.600 0.515 1
1 76 . 9 1 1 A 13 13 CYS HA H 13 4.665 4.897 -0.232 1
1 79 . 9 1 1 A 13 13 CYS C C 13 177.041 174.782 2.259 1
1 80 . 9 1 1 A 13 13 CYS CA C 13 58.883 58.534 0.349 1
1 81 . 9 1 1 A 13 13 CYS CB C 13 29.920 29.644 0.276 1
1 82 . 9 1 1 A 13 13 CYS N N 13 123.945 119.038 4.907 1
1 83 . 9 1 1 A 14 14 ASN H H 14 9.374 8.941 0.433 1
1 84 . 9 1 1 A 14 14 ASN HA H 14 4.550 4.792 -0.242 1
1 89 . 9 1 1 A 14 14 ASN C C 14 175.484 177.210 -1.726 1
1 90 . 9 1 1 A 14 14 ASN CA C 14 55.420 54.221 1.199 1
1 91 . 9 1 1 A 14 14 ASN CB C 14 38.238 39.177 -0.939 1
1 92 . 9 1 1 A 14 14 ASN N N 14 129.983 124.784 5.199 1
1 94 . 9 1 1 A 15 15 GLU H H 15 8.645 8.200 0.445 1
1 95 . 9 1 1 A 15 15 GLU HA H 15 4.212 3.966 0.246 1
1 100 . 9 1 1 A 15 15 GLU C C 15 177.052 178.273 -1.221 1
1 101 . 9 1 1 A 15 15 GLU CA C 15 58.326 59.245 -0.919 1
1 102 . 9 1 1 A 15 15 GLU CB C 15 29.466 28.759 0.707 1
1 104 . 9 1 1 A 15 15 GLU N N 15 120.926 119.640 1.286 1
1 105 . 9 1 1 A 16 16 CYS H H 16 7.846 7.153 0.693 1
1 106 . 9 1 1 A 16 16 CYS HA H 16 5.144 4.529 0.615 1
1 109 . 9 1 1 A 16 16 CYS C C 16 176.147 175.263 0.884 1
1 110 . 9 1 1 A 16 16 CYS CA C 16 58.213 59.784 -1.571 1
1 111 . 9 1 1 A 16 16 CYS CB C 16 32.251 29.436 2.815 1
1 112 . 9 1 1 A 16 16 CYS N N 16 114.327 115.210 -0.883 1
1 113 . 9 1 1 A 17 17 GLY H H 17 8.188 8.054 0.134 1
1 114 . 9 1 1 A 17 17 GLY HA2 H 17 3.875 4.039 -0.164 1
1 115 . 9 1 1 A 17 17 GLY HA3 H 17 4.202 4.051 0.151 1
1 116 . 9 1 1 A 17 17 GLY C C 17 174.225 174.322 -0.097 1
1 117 . 9 1 1 A 17 17 GLY CA C 17 46.360 45.431 0.929 1
1 118 . 9 1 1 A 17 17 GLY N N 17 113.009 109.981 3.028 1
1 119 . 9 1 1 A 18 18 LYS H H 18 7.801 7.904 -0.103 1
1 120 . 9 1 1 A 18 18 LYS HA H 18 4.087 4.522 -0.435 1
1 129 . 9 1 1 A 18 18 LYS C C 18 173.597 174.955 -1.358 1
1 130 . 9 1 1 A 18 18 LYS CA C 18 57.553 55.244 2.309 1
1 131 . 9 1 1 A 18 18 LYS CB C 18 34.123 34.072 0.051 1
1 135 . 9 1 1 A 18 18 LYS N N 18 122.310 118.871 3.439 1
1 136 . 9 1 1 A 19 19 ASP H H 19 7.782 8.028 -0.246 1
1 137 . 9 1 1 A 19 19 ASP HA H 19 5.140 5.181 -0.041 1
1 140 . 9 1 1 A 19 19 ASP C C 19 174.660 174.554 0.106 1
1 141 . 9 1 1 A 19 19 ASP CA C 19 52.887 52.423 0.464 1
1 142 . 9 1 1 A 19 19 ASP CB C 19 43.759 45.170 -1.411 1
1 143 . 9 1 1 A 19 19 ASP N N 19 118.910 118.756 0.154 1
1 144 . 9 1 1 A 20 20 PHE H H 20 8.207 8.717 -0.510 1
1 145 . 9 1 1 A 20 20 PHE HA H 20 4.735 4.948 -0.213 1
1 153 . 9 1 1 A 20 20 PHE C C 20 175.997 175.839 0.158 1
1 154 . 9 1 1 A 20 20 PHE CA C 20 57.637 56.599 1.038 1
1 155 . 9 1 1 A 20 20 PHE CB C 20 43.683 42.576 1.107 1
1 161 . 9 1 1 A 20 20 PHE N N 20 116.189 120.225 -4.036 1
1 162 . 9 1 1 A 21 21 SER H H 21 9.247 8.978 0.269 1
1 163 . 9 1 1 A 21 21 SER HA H 21 4.557 4.499 0.058 1
1 166 . 9 1 1 A 21 21 SER C C 21 173.988 174.569 -0.581 1
1 167 . 9 1 1 A 21 21 SER CA C 21 59.854 61.815 -1.961 1
1 168 . 9 1 1 A 21 21 SER CB C 21 63.994 63.342 0.652 1
1 169 . 9 1 1 A 21 21 SER N N 21 114.221 120.436 -6.215 1
1 170 . 9 1 1 A 22 22 SER H H 22 7.490 8.123 -0.633 1
1 171 . 9 1 1 A 22 22 SER HA H 22 4.473 4.671 -0.198 1
1 174 . 9 1 1 A 22 22 SER C C 22 173.228 174.203 -0.975 1
1 175 . 9 1 1 A 22 22 SER CA C 22 56.284 56.532 -0.248 1
1 176 . 9 1 1 A 22 22 SER CB C 22 66.196 64.800 1.396 1
1 177 . 9 1 1 A 22 22 SER N N 22 113.081 115.798 -2.717 1
1 178 . 9 1 1 A 23 23 LYS H H 23 8.298 8.586 -0.288 1
1 179 . 9 1 1 A 23 23 LYS HA H 23 3.376 2.958 0.418 1
1 188 . 9 1 1 A 23 23 LYS C C 23 177.950 177.930 0.020 1
1 189 . 9 1 1 A 23 23 LYS CA C 23 58.783 59.144 -0.361 1
1 190 . 9 1 1 A 23 23 LYS CB C 23 31.851 31.396 0.455 1
1 194 . 9 1 1 A 23 23 LYS N N 23 124.483 126.911 -2.428 1
1 195 . 9 1 1 A 24 24 SER H H 24 8.124 7.814 0.310 1
1 196 . 9 1 1 A 24 24 SER HA H 24 3.971 3.991 -0.020 1
1 199 . 9 1 1 A 24 24 SER C C 24 176.849 176.306 0.543 1
1 200 . 9 1 1 A 24 24 SER CA C 24 61.969 62.232 -0.263 1
1 201 . 9 1 1 A 24 24 SER CB C 24 61.969 62.468 -0.499 1
1 202 . 9 1 1 A 24 24 SER N N 24 113.002 116.771 -3.769 1
1 203 . 9 1 1 A 25 25 TYR H H 25 7.305 8.065 -0.760 1
1 204 . 9 1 1 A 25 25 TYR HA H 25 4.325 4.295 0.030 1
1 211 . 9 1 1 A 25 25 TYR C C 25 178.583 177.819 0.764 1
1 212 . 9 1 1 A 25 25 TYR CA C 25 59.396 60.633 -1.237 1
1 213 . 9 1 1 A 25 25 TYR CB C 25 37.560 38.148 -0.588 1
1 218 . 9 1 1 A 25 25 TYR N N 25 119.444 119.990 -0.546 1
1 219 . 9 1 1 A 26 26 LEU H H 26 7.358 7.807 -0.449 1
1 220 . 9 1 1 A 26 26 LEU HA H 26 3.339 2.901 0.438 1
1 230 . 9 1 1 A 26 26 LEU C C 26 177.371 178.340 -0.969 1
1 231 . 9 1 1 A 26 26 LEU CA C 26 58.191 57.848 0.343 1
1 232 . 9 1 1 A 26 26 LEU CB C 26 40.695 41.740 -1.045 1
1 236 . 9 1 1 A 26 26 LEU N N 26 122.536 120.836 1.700 1
1 237 . 9 1 1 A 27 27 ILE H H 27 8.225 7.944 0.281 1
1 238 . 9 1 1 A 27 27 ILE HA H 27 3.778 3.571 0.207 1
1 248 . 9 1 1 A 27 27 ILE C C 27 179.086 178.560 0.526 1
1 249 . 9 1 1 A 27 27 ILE CA C 27 64.790 65.272 -0.482 1
1 250 . 9 1 1 A 27 27 ILE CB C 27 37.725 37.791 -0.066 1
1 254 . 9 1 1 A 27 27 ILE N N 27 119.370 119.683 -0.313 1
1 255 . 9 1 1 A 28 28 VAL H H 28 7.394 8.340 -0.946 1
1 256 . 9 1 1 A 28 28 VAL HA H 28 3.507 3.527 -0.020 1
1 264 . 9 1 1 A 28 28 VAL C C 28 178.897 178.248 0.649 1
1 265 . 9 1 1 A 28 28 VAL CA C 28 66.606 66.210 0.396 1
1 266 . 9 1 1 A 28 28 VAL CB C 28 31.929 31.418 0.511 1
1 269 . 9 1 1 A 28 28 VAL N N 28 118.982 120.209 -1.227 1
1 270 . 9 1 1 A 29 29 HIS H H 29 7.587 7.869 -0.282 1
1 271 . 9 1 1 A 29 29 HIS HA H 29 4.134 4.166 -0.032 1
1 276 . 9 1 1 A 29 29 HIS C C 29 176.397 177.070 -0.673 1
1 277 . 9 1 1 A 29 29 HIS CA C 29 59.312 59.718 -0.406 1
1 278 . 9 1 1 A 29 29 HIS CB C 29 27.959 29.692 -1.733 1
1 281 . 9 1 1 A 29 29 HIS N N 29 119.908 119.652 0.256 1
1 282 . 9 1 1 A 30 30 GLN H H 30 8.502 8.641 -0.139 1
1 283 . 9 1 1 A 30 30 GLN HA H 30 3.615 4.019 -0.404 1
1 290 . 9 1 1 A 30 30 GLN C C 30 177.427 178.653 -1.226 1
1 291 . 9 1 1 A 30 30 GLN CA C 30 59.579 59.234 0.345 1
1 292 . 9 1 1 A 30 30 GLN CB C 30 28.227 28.392 -0.165 1
1 294 . 9 1 1 A 30 30 GLN N N 30 115.041 117.454 -2.413 1
1 296 . 9 1 1 A 31 31 ARG H H 31 7.242 7.993 -0.751 1
1 297 . 9 1 1 A 31 31 ARG HA H 31 4.142 4.414 -0.272 1
1 304 . 9 1 1 A 31 31 ARG C C 31 178.802 179.080 -0.278 1
1 305 . 9 1 1 A 31 31 ARG CA C 31 58.548 59.052 -0.504 1
1 306 . 9 1 1 A 31 31 ARG CB C 31 30.083 29.801 0.282 1
1 309 . 9 1 1 A 31 31 ARG N N 31 118.327 120.008 -1.681 1
1 310 . 9 1 1 A 32 32 ILE H H 32 7.871 8.082 -0.211 1
1 311 . 9 1 1 A 32 32 ILE HA H 32 3.947 3.784 0.163 1
1 321 . 9 1 1 A 32 32 ILE C C 32 177.496 176.908 0.588 1
1 322 . 9 1 1 A 32 32 ILE CA C 32 63.124 63.188 -0.064 1
1 323 . 9 1 1 A 32 32 ILE CB C 32 37.609 37.246 0.363 1
1 327 . 9 1 1 A 32 32 ILE N N 32 116.287 117.353 -1.066 1
1 328 . 9 1 1 A 33 33 HIS H H 33 7.158 7.660 -0.502 1
1 329 . 9 1 1 A 33 33 HIS HA H 33 4.846 4.568 0.278 1
1 334 . 9 1 1 A 33 33 HIS C C 33 176.000 175.294 0.706 1
1 335 . 9 1 1 A 33 33 HIS CA C 33 55.125 57.214 -2.089 1
1 336 . 9 1 1 A 33 33 HIS CB C 33 28.536 31.513 -2.977 1
1 339 . 9 1 1 A 33 33 HIS N N 33 117.660 118.967 -1.307 1
1 340 . 9 1 1 A 34 34 THR H H 34 7.811 7.514 0.297 1
1 341 . 9 1 1 A 34 34 THR HA H 34 4.320 4.119 0.201 1
1 346 . 9 1 1 A 34 34 THR C C 34 175.641 175.094 0.547 1
1 347 . 9 1 1 A 34 34 THR CA C 34 62.869 62.993 -0.124 1
1 348 . 9 1 1 A 34 34 THR CB C 34 69.771 68.948 0.823 1
1 350 . 9 1 1 A 34 34 THR N N 34 112.089 111.829 0.260 1
1 351 . 9 1 1 A 35 35 GLY H H 35 8.210 8.816 -0.606 1
1 352 . 9 1 1 A 35 35 GLY HA2 H 35 4.019 4.063 -0.044 1
1 353 . 9 1 1 A 35 35 GLY HA3 H 35 3.944 4.064 -0.120 1
1 354 . 9 1 1 A 35 35 GLY C C 35 174.359 173.478 0.881 1
1 355 . 9 1 1 A 35 35 GLY CA C 35 45.494 46.281 -0.787 1
1 356 . 9 1 1 A 35 35 GLY N N 35 110.437 112.311 -1.874 1
1 357 . 9 1 1 A 36 36 GLU H H 36 8.085 7.624 0.461 1
1 358 . 9 1 1 A 36 36 GLU HA H 36 4.214 4.687 -0.473 1
1 363 . 9 1 1 A 36 36 GLU C C 36 176.485 175.035 1.450 1
1 364 . 9 1 1 A 36 36 GLU CA C 36 56.691 55.256 1.435 1
1 365 . 9 1 1 A 36 36 GLU CB C 36 30.455 31.911 -1.456 1
1 367 . 9 1 1 A 36 36 GLU N N 36 120.789 116.567 4.222 1
1 368 . 9 1 1 A 37 37 LYS H H 37 8.316 8.672 -0.356 1
1 369 . 9 1 1 A 37 37 LYS HA H 37 4.313 3.788 0.525 1
1 378 . 9 1 1 A 37 37 LYS C C 37 176.554 174.823 1.731 1
1 379 . 9 1 1 A 37 37 LYS CA C 37 56.270 57.106 -0.836 1
1 380 . 9 1 1 A 37 37 LYS CB C 37 32.830 29.597 3.233 1
1 384 . 9 1 1 A 37 37 LYS N N 37 122.204 119.188 3.016 1
1 385 . 9 1 1 A 38 38 LEU H H 38 8.295 7.691 0.604 1
1 386 . 9 1 1 A 38 38 LEU HA H 38 4.390 4.800 -0.410 1
1 396 . 9 1 1 A 38 38 LEU C C 38 177.408 177.786 -0.378 1
1 397 . 9 1 1 A 38 38 LEU CA C 38 55.081 53.060 2.021 1
1 398 . 9 1 1 A 38 38 LEU CB C 38 42.248 44.743 -2.495 1
1 402 . 9 1 1 A 38 38 LEU N N 38 123.561 116.132 7.429 1
1 403 . 9 1 1 A 39 39 SER H H 39 8.293 8.534 -0.241 1
1 404 . 9 1 1 A 39 39 SER HA H 39 4.487 4.153 0.334 1
1 407 . 9 1 1 A 39 39 SER C C 39 174.479 174.632 -0.153 1
1 408 . 9 1 1 A 39 39 SER CA C 39 58.221 62.390 -4.169 1
1 409 . 9 1 1 A 39 39 SER CB C 39 63.918 63.188 0.730 1
1 410 . 9 1 1 A 39 39 SER N N 39 116.483 116.483 0.000 1
1 411 . 9 1 1 A 40 40 GLY H H 40 8.210 7.369 0.841 1
1 412 . 9 1 1 A 40 40 GLY HA2 H 40 4.163 4.031 0.132 1
1 413 . 9 1 1 A 40 40 GLY HA3 H 40 4.097 4.031 0.066 1
1 414 . 9 1 1 A 40 40 GLY C C 40 171.732 171.019 0.713 1
1 415 . 9 1 1 A 40 40 GLY CA C 40 44.672 45.200 -0.528 1
1 416 . 9 1 1 A 40 40 GLY N N 40 110.630 104.807 5.823 1
1 417 . 9 1 1 A 41 41 PRO HA H 41 4.476 4.635 -0.159 1
1 424 . 9 1 1 A 41 41 PRO C C 41 177.357 175.877 1.480 1
1 425 . 9 1 1 A 41 41 PRO CA C 41 63.215 62.632 0.583 1
1 426 . 9 1 1 A 41 41 PRO CB C 41 32.212 33.405 -1.193 1
1 429 . 9 1 1 A 42 42 SER H H 42 8.535 8.344 0.191 1
1 430 . 9 1 1 A 42 42 SER HA H 42 4.470 4.725 -0.255 1
1 433 . 9 1 1 A 42 42 SER C C 42 174.589 173.016 1.573 1
1 434 . 9 1 1 A 42 42 SER CA C 42 58.435 56.964 1.471 1
1 435 . 9 1 1 A 42 42 SER CB C 42 63.984 65.731 -1.747 1
1 436 . 9 1 1 A 42 42 SER N N 42 116.375 113.665 2.710 1
1 437 . 9 1 1 A 43 43 SER H H 43 8.303 8.636 -0.333 1
1 438 . 9 1 1 A 43 43 SER HA H 43 4.457 4.038 0.419 1
1 441 . 9 1 1 A 43 43 SER C C 43 173.896 173.899 -0.003 1
1 442 . 9 1 1 A 43 43 SER CA C 43 58.281 59.248 -0.967 1
1 443 . 9 1 1 A 43 43 SER CB C 43 64.036 61.882 2.154 1
1 444 . 9 1 1 A 43 43 SER N N 43 117.817 115.312 2.505 1
1 1 . 10 1 1 A 6 6 SER HA H 6 4.443 4.187 0.256 1
1 4 . 10 1 1 A 6 6 SER C C 6 174.977 175.377 -0.400 1
1 5 . 10 1 1 A 6 6 SER CA C 6 58.518 60.221 -1.703 1
1 6 . 10 1 1 A 6 6 SER CB C 6 63.628 63.401 0.227 1
1 7 . 10 1 1 A 7 7 GLY H H 7 8.375 8.670 -0.295 1
1 8 . 10 1 1 A 7 7 GLY HA2 H 7 3.943 4.185 -0.242 1
1 9 . 10 1 1 A 7 7 GLY HA3 H 7 3.943 4.219 -0.276 1
1 10 . 10 1 1 A 7 7 GLY C C 7 174.013 174.374 -0.361 1
1 11 . 10 1 1 A 7 7 GLY CA C 7 45.265 45.581 -0.316 1
1 12 . 10 1 1 A 7 7 GLY N N 7 110.641 112.133 -1.492 1
1 13 . 10 1 1 A 8 8 GLU H H 8 8.221 8.263 -0.042 1
1 14 . 10 1 1 A 8 8 GLU HA H 8 4.211 4.655 -0.444 1
1 19 . 10 1 1 A 8 8 GLU C C 8 176.367 176.335 0.032 1
1 20 . 10 1 1 A 8 8 GLU CA C 8 56.659 54.624 2.035 1
1 21 . 10 1 1 A 8 8 GLU CB C 8 30.440 28.724 1.716 1
1 23 . 10 1 1 A 8 8 GLU N N 8 120.286 119.843 0.443 1
1 24 . 10 1 1 A 9 9 LYS H H 9 8.366 8.819 -0.453 1
1 25 . 10 1 1 A 9 9 LYS HA H 9 4.523 3.952 0.571 1
1 34 . 10 1 1 A 9 9 LYS C C 9 174.265 176.451 -2.186 1
1 35 . 10 1 1 A 9 9 LYS CA C 9 53.760 56.852 -3.092 1
1 36 . 10 1 1 A 9 9 LYS CB C 9 32.697 30.444 2.253 1
1 40 . 10 1 1 A 9 9 LYS N N 9 122.243 123.873 -1.630 1
1 41 . 10 1 1 A 10 10 PRO HA H 10 4.279 4.429 -0.150 1
1 48 . 10 1 1 A 10 10 PRO C C 10 176.457 175.676 0.781 1
1 49 . 10 1 1 A 10 10 PRO CA C 10 63.415 64.754 -1.339 1
1 50 . 10 1 1 A 10 10 PRO CB C 10 32.074 31.514 0.560 1
1 53 . 10 1 1 A 11 11 TYR H H 11 8.273 7.626 0.647 1
1 54 . 10 1 1 A 11 11 TYR HA H 11 4.715 5.035 -0.320 1
1 61 . 10 1 1 A 11 11 TYR C C 11 174.995 175.961 -0.966 1
1 62 . 10 1 1 A 11 11 TYR CA C 11 56.584 56.319 0.265 1
1 63 . 10 1 1 A 11 11 TYR CB C 11 38.169 41.221 -3.052 1
1 68 . 10 1 1 A 11 11 TYR N N 11 118.862 118.981 -0.119 1
1 69 . 10 1 1 A 12 12 GLY H H 12 8.221 8.792 -0.571 1
1 70 . 10 1 1 A 12 12 GLY HA2 H 12 3.613 4.413 -0.800 1
1 71 . 10 1 1 A 12 12 GLY HA3 H 12 4.865 4.590 0.275 1
1 72 . 10 1 1 A 12 12 GLY C C 12 173.074 172.162 0.912 1
1 73 . 10 1 1 A 12 12 GLY CA C 12 44.870 45.805 -0.935 1
1 74 . 10 1 1 A 12 12 GLY N N 12 110.093 109.352 0.741 1
1 75 . 10 1 1 A 13 13 CYS H H 13 9.115 8.395 0.720 1
1 76 . 10 1 1 A 13 13 CYS HA H 13 4.665 4.855 -0.190 1
1 79 . 10 1 1 A 13 13 CYS C C 13 177.041 175.406 1.635 1
1 80 . 10 1 1 A 13 13 CYS CA C 13 58.883 58.461 0.422 1
1 81 . 10 1 1 A 13 13 CYS CB C 13 29.920 28.520 1.400 1
1 82 . 10 1 1 A 13 13 CYS N N 13 123.945 119.360 4.585 1
1 83 . 10 1 1 A 14 14 ASN H H 14 9.374 8.956 0.418 1
1 84 . 10 1 1 A 14 14 ASN HA H 14 4.550 4.965 -0.415 1
1 89 . 10 1 1 A 14 14 ASN C C 14 175.484 175.641 -0.157 1
1 90 . 10 1 1 A 14 14 ASN CA C 14 55.420 53.097 2.323 1
1 91 . 10 1 1 A 14 14 ASN CB C 14 38.238 39.056 -0.818 1
1 92 . 10 1 1 A 14 14 ASN N N 14 129.983 125.644 4.339 1
1 94 . 10 1 1 A 15 15 GLU H H 15 8.645 7.939 0.706 1
1 95 . 10 1 1 A 15 15 GLU HA H 15 4.212 4.460 -0.248 1
1 100 . 10 1 1 A 15 15 GLU C C 15 177.052 177.724 -0.672 1
1 101 . 10 1 1 A 15 15 GLU CA C 15 58.326 57.102 1.224 1
1 102 . 10 1 1 A 15 15 GLU CB C 15 29.466 31.369 -1.903 1
1 104 . 10 1 1 A 15 15 GLU N N 15 120.926 118.079 2.847 1
1 105 . 10 1 1 A 16 16 CYS H H 16 7.846 8.122 -0.276 1
1 106 . 10 1 1 A 16 16 CYS HA H 16 5.144 4.599 0.545 1
1 109 . 10 1 1 A 16 16 CYS C C 16 176.147 175.305 0.842 1
1 110 . 10 1 1 A 16 16 CYS CA C 16 58.213 59.588 -1.375 1
1 111 . 10 1 1 A 16 16 CYS CB C 16 32.251 29.700 2.551 1
1 112 . 10 1 1 A 16 16 CYS N N 16 114.327 114.918 -0.591 1
1 113 . 10 1 1 A 17 17 GLY H H 17 8.188 8.014 0.174 1
1 114 . 10 1 1 A 17 17 GLY HA2 H 17 3.875 4.056 -0.181 1
1 115 . 10 1 1 A 17 17 GLY HA3 H 17 4.202 4.064 0.138 1
1 116 . 10 1 1 A 17 17 GLY C C 17 174.225 174.011 0.214 1
1 117 . 10 1 1 A 17 17 GLY CA C 17 46.360 45.412 0.948 1
1 118 . 10 1 1 A 17 17 GLY N N 17 113.009 110.202 2.807 1
1 119 . 10 1 1 A 18 18 LYS H H 18 7.801 7.802 -0.001 1
1 120 . 10 1 1 A 18 18 LYS HA H 18 4.087 4.601 -0.514 1
1 129 . 10 1 1 A 18 18 LYS C C 18 173.597 174.750 -1.153 1
1 130 . 10 1 1 A 18 18 LYS CA C 18 57.553 54.599 2.954 1
1 131 . 10 1 1 A 18 18 LYS CB C 18 34.123 34.709 -0.586 1
1 135 . 10 1 1 A 18 18 LYS N N 18 122.310 118.765 3.545 1
1 136 . 10 1 1 A 19 19 ASP H H 19 7.782 8.124 -0.342 1
1 137 . 10 1 1 A 19 19 ASP HA H 19 5.140 5.221 -0.081 1
1 140 . 10 1 1 A 19 19 ASP C C 19 174.660 174.450 0.210 1
1 141 . 10 1 1 A 19 19 ASP CA C 19 52.887 52.532 0.355 1
1 142 . 10 1 1 A 19 19 ASP CB C 19 43.759 45.446 -1.687 1
1 143 . 10 1 1 A 19 19 ASP N N 19 118.910 118.693 0.217 1
1 144 . 10 1 1 A 20 20 PHE H H 20 8.207 8.816 -0.609 1
1 145 . 10 1 1 A 20 20 PHE HA H 20 4.735 4.981 -0.246 1
1 153 . 10 1 1 A 20 20 PHE C C 20 175.997 175.784 0.213 1
1 154 . 10 1 1 A 20 20 PHE CA C 20 57.637 56.590 1.047 1
1 155 . 10 1 1 A 20 20 PHE CB C 20 43.683 42.409 1.274 1
1 161 . 10 1 1 A 20 20 PHE N N 20 116.189 119.710 -3.521 1
1 162 . 10 1 1 A 21 21 SER H H 21 9.247 8.972 0.275 1
1 163 . 10 1 1 A 21 21 SER HA H 21 4.557 4.571 -0.014 1
1 166 . 10 1 1 A 21 21 SER C C 21 173.988 175.215 -1.227 1
1 167 . 10 1 1 A 21 21 SER CA C 21 59.854 62.152 -2.298 1
1 168 . 10 1 1 A 21 21 SER CB C 21 63.994 63.157 0.837 1
1 169 . 10 1 1 A 21 21 SER N N 21 114.221 118.683 -4.462 1
1 170 . 10 1 1 A 22 22 SER H H 22 7.490 8.423 -0.933 1
1 171 . 10 1 1 A 22 22 SER HA H 22 4.473 4.779 -0.306 1
1 174 . 10 1 1 A 22 22 SER C C 22 173.228 174.384 -1.156 1
1 175 . 10 1 1 A 22 22 SER CA C 22 56.284 58.800 -2.516 1
1 176 . 10 1 1 A 22 22 SER CB C 22 66.196 64.608 1.588 1
1 177 . 10 1 1 A 22 22 SER N N 22 113.081 116.755 -3.674 1
1 178 . 10 1 1 A 23 23 LYS H H 23 8.298 8.497 -0.199 1
1 179 . 10 1 1 A 23 23 LYS HA H 23 3.376 3.000 0.376 1
1 188 . 10 1 1 A 23 23 LYS C C 23 177.950 177.867 0.083 1
1 189 . 10 1 1 A 23 23 LYS CA C 23 58.783 59.551 -0.768 1
1 190 . 10 1 1 A 23 23 LYS CB C 23 31.851 31.358 0.493 1
1 194 . 10 1 1 A 23 23 LYS N N 23 124.483 126.364 -1.881 1
1 195 . 10 1 1 A 24 24 SER H H 24 8.124 7.780 0.344 1
1 196 . 10 1 1 A 24 24 SER HA H 24 3.971 3.991 -0.020 1
1 199 . 10 1 1 A 24 24 SER C C 24 176.849 176.535 0.314 1
1 200 . 10 1 1 A 24 24 SER CA C 24 61.969 62.145 -0.176 1
1 201 . 10 1 1 A 24 24 SER CB C 24 61.969 62.457 -0.488 1
1 202 . 10 1 1 A 24 24 SER N N 24 113.002 116.495 -3.493 1
1 203 . 10 1 1 A 25 25 TYR H H 25 7.305 7.989 -0.684 1
1 204 . 10 1 1 A 25 25 TYR HA H 25 4.325 4.319 0.006 1
1 211 . 10 1 1 A 25 25 TYR C C 25 178.583 177.891 0.692 1
1 212 . 10 1 1 A 25 25 TYR CA C 25 59.396 60.598 -1.202 1
1 213 . 10 1 1 A 25 25 TYR CB C 25 37.560 38.481 -0.921 1
1 218 . 10 1 1 A 25 25 TYR N N 25 119.444 120.170 -0.726 1
1 219 . 10 1 1 A 26 26 LEU H H 26 7.358 7.368 -0.010 1
1 220 . 10 1 1 A 26 26 LEU HA H 26 3.339 3.083 0.256 1
1 230 . 10 1 1 A 26 26 LEU C C 26 177.371 178.375 -1.004 1
1 231 . 10 1 1 A 26 26 LEU CA C 26 58.191 57.876 0.315 1
1 232 . 10 1 1 A 26 26 LEU CB C 26 40.695 41.653 -0.958 1
1 236 . 10 1 1 A 26 26 LEU N N 26 122.536 120.970 1.566 1
1 237 . 10 1 1 A 27 27 ILE H H 27 8.225 8.077 0.148 1
1 238 . 10 1 1 A 27 27 ILE HA H 27 3.778 3.623 0.155 1
1 248 . 10 1 1 A 27 27 ILE C C 27 179.086 178.553 0.533 1
1 249 . 10 1 1 A 27 27 ILE CA C 27 64.790 65.200 -0.410 1
1 250 . 10 1 1 A 27 27 ILE CB C 27 37.725 37.747 -0.022 1
1 254 . 10 1 1 A 27 27 ILE N N 27 119.370 119.614 -0.244 1
1 255 . 10 1 1 A 28 28 VAL H H 28 7.394 8.086 -0.692 1
1 256 . 10 1 1 A 28 28 VAL HA H 28 3.507 3.551 -0.044 1
1 264 . 10 1 1 A 28 28 VAL C C 28 178.897 178.248 0.649 1
1 265 . 10 1 1 A 28 28 VAL CA C 28 66.606 66.080 0.526 1
1 266 . 10 1 1 A 28 28 VAL CB C 28 31.929 31.810 0.119 1
1 269 . 10 1 1 A 28 28 VAL N N 28 118.982 120.826 -1.844 1
1 270 . 10 1 1 A 29 29 HIS H H 29 7.587 8.148 -0.561 1
1 271 . 10 1 1 A 29 29 HIS HA H 29 4.134 4.182 -0.048 1
1 276 . 10 1 1 A 29 29 HIS C C 29 176.397 176.815 -0.418 1
1 277 . 10 1 1 A 29 29 HIS CA C 29 59.312 59.856 -0.544 1
1 278 . 10 1 1 A 29 29 HIS CB C 29 27.959 29.752 -1.793 1
1 281 . 10 1 1 A 29 29 HIS N N 29 119.908 119.514 0.394 1
1 282 . 10 1 1 A 30 30 GLN H H 30 8.502 8.626 -0.124 1
1 283 . 10 1 1 A 30 30 GLN HA H 30 3.615 3.985 -0.370 1
1 290 . 10 1 1 A 30 30 GLN C C 30 177.427 178.611 -1.184 1
1 291 . 10 1 1 A 30 30 GLN CA C 30 59.579 59.314 0.265 1
1 292 . 10 1 1 A 30 30 GLN CB C 30 28.227 28.279 -0.052 1
1 294 . 10 1 1 A 30 30 GLN N N 30 115.041 117.423 -2.382 1
1 296 . 10 1 1 A 31 31 ARG H H 31 7.242 7.959 -0.717 1
1 297 . 10 1 1 A 31 31 ARG HA H 31 4.142 4.414 -0.272 1
1 304 . 10 1 1 A 31 31 ARG C C 31 178.802 179.075 -0.273 1
1 305 . 10 1 1 A 31 31 ARG CA C 31 58.548 59.026 -0.478 1
1 306 . 10 1 1 A 31 31 ARG CB C 31 30.083 29.810 0.273 1
1 309 . 10 1 1 A 31 31 ARG N N 31 118.327 119.676 -1.349 1
1 310 . 10 1 1 A 32 32 ILE H H 32 7.871 8.109 -0.238 1
1 311 . 10 1 1 A 32 32 ILE HA H 32 3.947 3.785 0.162 1
1 321 . 10 1 1 A 32 32 ILE C C 32 177.496 176.660 0.836 1
1 322 . 10 1 1 A 32 32 ILE CA C 32 63.124 63.211 -0.087 1
1 323 . 10 1 1 A 32 32 ILE CB C 32 37.609 37.303 0.306 1
1 327 . 10 1 1 A 32 32 ILE N N 32 116.287 117.368 -1.081 1
1 328 . 10 1 1 A 33 33 HIS H H 33 7.158 7.733 -0.575 1
1 329 . 10 1 1 A 33 33 HIS HA H 33 4.846 4.605 0.241 1
1 334 . 10 1 1 A 33 33 HIS C C 33 176.000 175.239 0.761 1
1 335 . 10 1 1 A 33 33 HIS CA C 33 55.125 56.999 -1.874 1
1 336 . 10 1 1 A 33 33 HIS CB C 33 28.536 31.610 -3.074 1
1 339 . 10 1 1 A 33 33 HIS N N 33 117.660 118.921 -1.261 1
1 340 . 10 1 1 A 34 34 THR H H 34 7.811 7.429 0.382 1
1 341 . 10 1 1 A 34 34 THR HA H 34 4.320 4.152 0.168 1
1 346 . 10 1 1 A 34 34 THR C C 34 175.641 174.757 0.884 1
1 347 . 10 1 1 A 34 34 THR CA C 34 62.869 62.569 0.300 1
1 348 . 10 1 1 A 34 34 THR CB C 34 69.771 69.312 0.459 1
1 350 . 10 1 1 A 34 34 THR N N 34 112.089 111.648 0.441 1
1 351 . 10 1 1 A 35 35 GLY H H 35 8.210 8.587 -0.377 1
1 352 . 10 1 1 A 35 35 GLY HA2 H 35 4.019 4.190 -0.171 1
1 353 . 10 1 1 A 35 35 GLY HA3 H 35 3.944 4.190 -0.246 1
1 354 . 10 1 1 A 35 35 GLY C C 35 174.359 174.618 -0.259 1
1 355 . 10 1 1 A 35 35 GLY CA C 35 45.494 44.956 0.538 1
1 356 . 10 1 1 A 35 35 GLY N N 35 110.437 110.240 0.197 1
1 357 . 10 1 1 A 36 36 GLU H H 36 8.085 8.814 -0.729 1
1 358 . 10 1 1 A 36 36 GLU HA H 36 4.214 4.161 0.053 1
1 363 . 10 1 1 A 36 36 GLU C C 36 176.485 177.581 -1.096 1
1 364 . 10 1 1 A 36 36 GLU CA C 36 56.691 58.685 -1.994 1
1 365 . 10 1 1 A 36 36 GLU CB C 36 30.455 30.321 0.134 1
1 367 . 10 1 1 A 36 36 GLU N N 36 120.789 123.577 -2.788 1
1 368 . 10 1 1 A 37 37 LYS H H 37 8.316 7.713 0.603 1
1 369 . 10 1 1 A 37 37 LYS HA H 37 4.313 4.580 -0.267 1
1 378 . 10 1 1 A 37 37 LYS C C 37 176.554 176.739 -0.185 1
1 379 . 10 1 1 A 37 37 LYS CA C 37 56.270 56.840 -0.570 1
1 380 . 10 1 1 A 37 37 LYS CB C 37 32.830 34.746 -1.916 1
1 384 . 10 1 1 A 37 37 LYS N N 37 122.204 114.623 7.581 1
1 385 . 10 1 1 A 38 38 LEU H H 38 8.295 7.302 0.993 1
1 386 . 10 1 1 A 38 38 LEU HA H 38 4.390 4.358 0.032 1
1 396 . 10 1 1 A 38 38 LEU C C 38 177.408 176.551 0.857 1
1 397 . 10 1 1 A 38 38 LEU CA C 38 55.081 55.108 -0.027 1
1 398 . 10 1 1 A 38 38 LEU CB C 38 42.248 42.302 -0.054 1
1 402 . 10 1 1 A 38 38 LEU N N 38 123.561 119.482 4.079 1
1 403 . 10 1 1 A 39 39 SER H H 39 8.293 9.284 -0.991 1
1 404 . 10 1 1 A 39 39 SER HA H 39 4.487 4.127 0.360 1
1 407 . 10 1 1 A 39 39 SER C C 39 174.479 174.675 -0.196 1
1 408 . 10 1 1 A 39 39 SER CA C 39 58.221 59.472 -1.251 1
1 409 . 10 1 1 A 39 39 SER CB C 39 63.918 61.954 1.964 1
1 410 . 10 1 1 A 39 39 SER N N 39 116.483 114.187 2.296 1
1 411 . 10 1 1 A 40 40 GLY H H 40 8.210 8.184 0.026 1
1 412 . 10 1 1 A 40 40 GLY HA2 H 40 4.163 3.947 0.216 1
1 413 . 10 1 1 A 40 40 GLY HA3 H 40 4.097 3.949 0.148 1
1 414 . 10 1 1 A 40 40 GLY C C 40 171.732 174.440 -2.708 1
1 415 . 10 1 1 A 40 40 GLY CA C 40 44.672 44.942 -0.270 1
1 416 . 10 1 1 A 40 40 GLY N N 40 110.630 107.543 3.087 1
1 417 . 10 1 1 A 41 41 PRO HA H 41 4.476 4.552 -0.076 1
1 424 . 10 1 1 A 41 41 PRO C C 41 177.357 177.533 -0.176 1
1 425 . 10 1 1 A 41 41 PRO CA C 41 63.215 63.782 -0.567 1
1 426 . 10 1 1 A 41 41 PRO CB C 41 32.212 32.033 0.179 1
1 429 . 10 1 1 A 42 42 SER H H 42 8.535 7.712 0.823 1
1 430 . 10 1 1 A 42 42 SER HA H 42 4.470 4.090 0.380 1
1 433 . 10 1 1 A 42 42 SER C C 42 174.589 173.216 1.373 1
1 434 . 10 1 1 A 42 42 SER CA C 42 58.435 59.369 -0.934 1
1 435 . 10 1 1 A 42 42 SER CB C 42 63.984 61.821 2.163 1
1 436 . 10 1 1 A 42 42 SER N N 42 116.375 115.265 1.110 1
1 437 . 10 1 1 A 43 43 SER H H 43 8.303 8.039 0.264 1
1 438 . 10 1 1 A 43 43 SER HA H 43 4.457 4.597 -0.140 1
1 441 . 10 1 1 A 43 43 SER C C 43 173.896 173.949 -0.053 1
1 442 . 10 1 1 A 43 43 SER CA C 43 58.281 57.517 0.764 1
1 443 . 10 1 1 A 43 43 SER CB C 43 64.036 61.503 2.533 1
1 444 . 10 1 1 A 43 43 SER N N 43 117.817 115.545 2.272 1
1 1 . 11 1 1 A 6 6 SER HA H 6 4.443 4.602 -0.159 1
1 4 . 11 1 1 A 6 6 SER C C 6 174.977 174.824 0.153 1
1 5 . 11 1 1 A 6 6 SER CA C 6 58.518 57.975 0.543 1
1 6 . 11 1 1 A 6 6 SER CB C 6 63.628 64.517 -0.889 1
1 7 . 11 1 1 A 7 7 GLY H H 7 8.375 8.751 -0.376 1
1 8 . 11 1 1 A 7 7 GLY HA2 H 7 3.943 3.793 0.150 1
1 9 . 11 1 1 A 7 7 GLY HA3 H 7 3.943 3.812 0.131 1
1 10 . 11 1 1 A 7 7 GLY C C 7 174.013 173.820 0.193 1
1 11 . 11 1 1 A 7 7 GLY CA C 7 45.265 47.294 -2.029 1
1 12 . 11 1 1 A 7 7 GLY N N 7 110.641 112.562 -1.921 1
1 13 . 11 1 1 A 8 8 GLU H H 8 8.221 8.298 -0.077 1
1 14 . 11 1 1 A 8 8 GLU HA H 8 4.211 4.912 -0.701 1
1 19 . 11 1 1 A 8 8 GLU C C 8 176.367 175.577 0.790 1
1 20 . 11 1 1 A 8 8 GLU CA C 8 56.659 54.920 1.739 1
1 21 . 11 1 1 A 8 8 GLU CB C 8 30.440 31.710 -1.270 1
1 23 . 11 1 1 A 8 8 GLU N N 8 120.286 118.832 1.454 1
1 24 . 11 1 1 A 9 9 LYS H H 9 8.366 8.846 -0.480 1
1 25 . 11 1 1 A 9 9 LYS HA H 9 4.523 3.910 0.613 1
1 34 . 11 1 1 A 9 9 LYS C C 9 174.265 176.546 -2.281 1
1 35 . 11 1 1 A 9 9 LYS CA C 9 53.760 56.897 -3.137 1
1 36 . 11 1 1 A 9 9 LYS CB C 9 32.697 30.300 2.397 1
1 40 . 11 1 1 A 9 9 LYS N N 9 122.243 118.940 3.303 1
1 41 . 11 1 1 A 10 10 PRO HA H 10 4.279 4.420 -0.141 1
1 48 . 11 1 1 A 10 10 PRO C C 10 176.457 175.661 0.796 1
1 49 . 11 1 1 A 10 10 PRO CA C 10 63.415 64.699 -1.284 1
1 50 . 11 1 1 A 10 10 PRO CB C 10 32.074 31.433 0.641 1
1 53 . 11 1 1 A 11 11 TYR H H 11 8.273 7.571 0.702 1
1 54 . 11 1 1 A 11 11 TYR HA H 11 4.715 5.199 -0.484 1
1 61 . 11 1 1 A 11 11 TYR C C 11 174.995 175.833 -0.838 1
1 62 . 11 1 1 A 11 11 TYR CA C 11 56.584 56.437 0.147 1
1 63 . 11 1 1 A 11 11 TYR CB C 11 38.169 41.250 -3.081 1
1 68 . 11 1 1 A 11 11 TYR N N 11 118.862 118.745 0.117 1
1 69 . 11 1 1 A 12 12 GLY H H 12 8.221 8.784 -0.563 1
1 70 . 11 1 1 A 12 12 GLY HA2 H 12 3.613 4.450 -0.837 1
1 71 . 11 1 1 A 12 12 GLY HA3 H 12 4.865 4.621 0.244 1
1 72 . 11 1 1 A 12 12 GLY C C 12 173.074 172.183 0.891 1
1 73 . 11 1 1 A 12 12 GLY CA C 12 44.870 45.726 -0.856 1
1 74 . 11 1 1 A 12 12 GLY N N 12 110.093 109.594 0.499 1
1 75 . 11 1 1 A 13 13 CYS H H 13 9.115 9.121 -0.006 1
1 76 . 11 1 1 A 13 13 CYS HA H 13 4.665 4.826 -0.161 1
1 79 . 11 1 1 A 13 13 CYS C C 13 177.041 175.351 1.690 1
1 80 . 11 1 1 A 13 13 CYS CA C 13 58.883 58.707 0.176 1
1 81 . 11 1 1 A 13 13 CYS CB C 13 29.920 28.645 1.275 1
1 82 . 11 1 1 A 13 13 CYS N N 13 123.945 119.090 4.855 1
1 83 . 11 1 1 A 14 14 ASN H H 14 9.374 9.017 0.357 1
1 84 . 11 1 1 A 14 14 ASN HA H 14 4.550 4.979 -0.429 1
1 89 . 11 1 1 A 14 14 ASN C C 14 175.484 175.758 -0.274 1
1 90 . 11 1 1 A 14 14 ASN CA C 14 55.420 53.006 2.414 1
1 91 . 11 1 1 A 14 14 ASN CB C 14 38.238 39.186 -0.948 1
1 92 . 11 1 1 A 14 14 ASN N N 14 129.983 126.026 3.957 1
1 94 . 11 1 1 A 15 15 GLU H H 15 8.645 7.936 0.709 1
1 95 . 11 1 1 A 15 15 GLU HA H 15 4.212 4.469 -0.257 1
1 100 . 11 1 1 A 15 15 GLU C C 15 177.052 177.795 -0.743 1
1 101 . 11 1 1 A 15 15 GLU CA C 15 58.326 56.883 1.443 1
1 102 . 11 1 1 A 15 15 GLU CB C 15 29.466 31.968 -2.502 1
1 104 . 11 1 1 A 15 15 GLU N N 15 120.926 118.235 2.691 1
1 105 . 11 1 1 A 16 16 CYS H H 16 7.846 8.040 -0.194 1
1 106 . 11 1 1 A 16 16 CYS HA H 16 5.144 4.662 0.482 1
1 109 . 11 1 1 A 16 16 CYS C C 16 176.147 175.423 0.724 1
1 110 . 11 1 1 A 16 16 CYS CA C 16 58.213 59.463 -1.250 1
1 111 . 11 1 1 A 16 16 CYS CB C 16 32.251 30.011 2.240 1
1 112 . 11 1 1 A 16 16 CYS N N 16 114.327 114.959 -0.632 1
1 113 . 11 1 1 A 17 17 GLY H H 17 8.188 8.117 0.071 1
1 114 . 11 1 1 A 17 17 GLY HA2 H 17 3.875 4.066 -0.191 1
1 115 . 11 1 1 A 17 17 GLY HA3 H 17 4.202 4.077 0.125 1
1 116 . 11 1 1 A 17 17 GLY C C 17 174.225 174.273 -0.048 1
1 117 . 11 1 1 A 17 17 GLY CA C 17 46.360 45.198 1.162 1
1 118 . 11 1 1 A 17 17 GLY N N 17 113.009 110.063 2.946 1
1 119 . 11 1 1 A 18 18 LYS H H 18 7.801 7.906 -0.105 1
1 120 . 11 1 1 A 18 18 LYS HA H 18 4.087 4.581 -0.494 1
1 129 . 11 1 1 A 18 18 LYS C C 18 173.597 174.936 -1.339 1
1 130 . 11 1 1 A 18 18 LYS CA C 18 57.553 55.166 2.387 1
1 131 . 11 1 1 A 18 18 LYS CB C 18 34.123 33.974 0.149 1
1 135 . 11 1 1 A 18 18 LYS N N 18 122.310 121.400 0.910 1
1 136 . 11 1 1 A 19 19 ASP H H 19 7.782 8.151 -0.369 1
1 137 . 11 1 1 A 19 19 ASP HA H 19 5.140 5.455 -0.315 1
1 140 . 11 1 1 A 19 19 ASP C C 19 174.660 174.650 0.010 1
1 141 . 11 1 1 A 19 19 ASP CA C 19 52.887 52.558 0.329 1
1 142 . 11 1 1 A 19 19 ASP CB C 19 43.759 44.496 -0.737 1
1 143 . 11 1 1 A 19 19 ASP N N 19 118.910 123.854 -4.944 1
1 144 . 11 1 1 A 20 20 PHE H H 20 8.207 8.745 -0.538 1
1 145 . 11 1 1 A 20 20 PHE HA H 20 4.735 4.888 -0.153 1
1 153 . 11 1 1 A 20 20 PHE C C 20 175.997 175.904 0.093 1
1 154 . 11 1 1 A 20 20 PHE CA C 20 57.637 57.136 0.501 1
1 155 . 11 1 1 A 20 20 PHE CB C 20 43.683 43.186 0.497 1
1 161 . 11 1 1 A 20 20 PHE N N 20 116.189 121.090 -4.901 1
1 162 . 11 1 1 A 21 21 SER H H 21 9.247 9.108 0.139 1
1 163 . 11 1 1 A 21 21 SER HA H 21 4.557 4.501 0.056 1
1 166 . 11 1 1 A 21 21 SER C C 21 173.988 174.451 -0.463 1
1 167 . 11 1 1 A 21 21 SER CA C 21 59.854 59.880 -0.026 1
1 168 . 11 1 1 A 21 21 SER CB C 21 63.994 63.747 0.247 1
1 169 . 11 1 1 A 21 21 SER N N 21 114.221 116.773 -2.552 1
1 170 . 11 1 1 A 22 22 SER H H 22 7.490 8.291 -0.801 1
1 171 . 11 1 1 A 22 22 SER HA H 22 4.473 5.046 -0.573 1
1 174 . 11 1 1 A 22 22 SER C C 22 173.228 173.993 -0.765 1
1 175 . 11 1 1 A 22 22 SER CA C 22 56.284 57.566 -1.282 1
1 176 . 11 1 1 A 22 22 SER CB C 22 66.196 66.406 -0.210 1
1 177 . 11 1 1 A 22 22 SER N N 22 113.081 116.782 -3.701 1
1 178 . 11 1 1 A 23 23 LYS H H 23 8.298 8.295 0.003 1
1 179 . 11 1 1 A 23 23 LYS HA H 23 3.376 3.349 0.027 1
1 188 . 11 1 1 A 23 23 LYS C C 23 177.950 177.917 0.033 1
1 189 . 11 1 1 A 23 23 LYS CA C 23 58.783 58.080 0.703 1
1 190 . 11 1 1 A 23 23 LYS CB C 23 31.851 31.865 -0.014 1
1 194 . 11 1 1 A 23 23 LYS N N 23 124.483 125.072 -0.589 1
1 195 . 11 1 1 A 24 24 SER H H 24 8.124 8.057 0.067 1
1 196 . 11 1 1 A 24 24 SER HA H 24 3.971 4.041 -0.070 1
1 199 . 11 1 1 A 24 24 SER C C 24 176.849 176.683 0.166 1
1 200 . 11 1 1 A 24 24 SER CA C 24 61.969 61.071 0.898 1
1 201 . 11 1 1 A 24 24 SER CB C 24 61.969 61.951 0.018 1
1 202 . 11 1 1 A 24 24 SER N N 24 113.002 115.324 -2.322 1
1 203 . 11 1 1 A 25 25 TYR H H 25 7.305 7.907 -0.602 1
1 204 . 11 1 1 A 25 25 TYR HA H 25 4.325 4.402 -0.077 1
1 211 . 11 1 1 A 25 25 TYR C C 25 178.583 177.961 0.622 1
1 212 . 11 1 1 A 25 25 TYR CA C 25 59.396 60.891 -1.495 1
1 213 . 11 1 1 A 25 25 TYR CB C 25 37.560 38.012 -0.452 1
1 218 . 11 1 1 A 25 25 TYR N N 25 119.444 119.408 0.036 1
1 219 . 11 1 1 A 26 26 LEU H H 26 7.358 7.746 -0.388 1
1 220 . 11 1 1 A 26 26 LEU HA H 26 3.339 2.866 0.473 1
1 230 . 11 1 1 A 26 26 LEU C C 26 177.371 178.281 -0.910 1
1 231 . 11 1 1 A 26 26 LEU CA C 26 58.191 57.339 0.852 1
1 232 . 11 1 1 A 26 26 LEU CB C 26 40.695 41.434 -0.739 1
1 236 . 11 1 1 A 26 26 LEU N N 26 122.536 120.950 1.586 1
1 237 . 11 1 1 A 27 27 ILE H H 27 8.225 7.953 0.272 1
1 238 . 11 1 1 A 27 27 ILE HA H 27 3.778 3.634 0.144 1
1 248 . 11 1 1 A 27 27 ILE C C 27 179.086 178.577 0.509 1
1 249 . 11 1 1 A 27 27 ILE CA C 27 64.790 65.237 -0.447 1
1 250 . 11 1 1 A 27 27 ILE CB C 27 37.725 37.539 0.186 1
1 254 . 11 1 1 A 27 27 ILE N N 27 119.370 120.001 -0.631 1
1 255 . 11 1 1 A 28 28 VAL H H 28 7.394 8.050 -0.656 1
1 256 . 11 1 1 A 28 28 VAL HA H 28 3.507 3.628 -0.121 1
1 264 . 11 1 1 A 28 28 VAL C C 28 178.897 178.113 0.784 1
1 265 . 11 1 1 A 28 28 VAL CA C 28 66.606 66.025 0.581 1
1 266 . 11 1 1 A 28 28 VAL CB C 28 31.929 31.855 0.074 1
1 269 . 11 1 1 A 28 28 VAL N N 28 118.982 121.595 -2.613 1
1 270 . 11 1 1 A 29 29 HIS H H 29 7.587 7.795 -0.208 1
1 271 . 11 1 1 A 29 29 HIS HA H 29 4.134 4.267 -0.133 1
1 276 . 11 1 1 A 29 29 HIS C C 29 176.397 177.265 -0.868 1
1 277 . 11 1 1 A 29 29 HIS CA C 29 59.312 59.727 -0.415 1
1 278 . 11 1 1 A 29 29 HIS CB C 29 27.959 29.823 -1.864 1
1 281 . 11 1 1 A 29 29 HIS N N 29 119.908 119.850 0.058 1
1 282 . 11 1 1 A 30 30 GLN H H 30 8.502 8.548 -0.046 1
1 283 . 11 1 1 A 30 30 GLN HA H 30 3.615 3.971 -0.356 1
1 290 . 11 1 1 A 30 30 GLN C C 30 177.427 178.676 -1.249 1
1 291 . 11 1 1 A 30 30 GLN CA C 30 59.579 59.015 0.564 1
1 292 . 11 1 1 A 30 30 GLN CB C 30 28.227 28.425 -0.198 1
1 294 . 11 1 1 A 30 30 GLN N N 30 115.041 117.440 -2.399 1
1 296 . 11 1 1 A 31 31 ARG H H 31 7.242 7.962 -0.720 1
1 297 . 11 1 1 A 31 31 ARG HA H 31 4.142 4.086 0.056 1
1 304 . 11 1 1 A 31 31 ARG C C 31 178.802 179.337 -0.535 1
1 305 . 11 1 1 A 31 31 ARG CA C 31 58.548 59.099 -0.551 1
1 306 . 11 1 1 A 31 31 ARG CB C 31 30.083 29.907 0.176 1
1 309 . 11 1 1 A 31 31 ARG N N 31 118.327 119.873 -1.546 1
1 310 . 11 1 1 A 32 32 ILE H H 32 7.871 7.960 -0.089 1
1 311 . 11 1 1 A 32 32 ILE HA H 32 3.947 3.802 0.145 1
1 321 . 11 1 1 A 32 32 ILE C C 32 177.496 176.647 0.849 1
1 322 . 11 1 1 A 32 32 ILE CA C 32 63.124 62.968 0.156 1
1 323 . 11 1 1 A 32 32 ILE CB C 32 37.609 37.353 0.256 1
1 327 . 11 1 1 A 32 32 ILE N N 32 116.287 117.300 -1.013 1
1 328 . 11 1 1 A 33 33 HIS H H 33 7.158 7.634 -0.476 1
1 329 . 11 1 1 A 33 33 HIS HA H 33 4.846 4.590 0.256 1
1 334 . 11 1 1 A 33 33 HIS C C 33 176.000 175.191 0.809 1
1 335 . 11 1 1 A 33 33 HIS CA C 33 55.125 56.788 -1.663 1
1 336 . 11 1 1 A 33 33 HIS CB C 33 28.536 31.423 -2.887 1
1 339 . 11 1 1 A 33 33 HIS N N 33 117.660 119.081 -1.421 1
1 340 . 11 1 1 A 34 34 THR H H 34 7.811 7.442 0.369 1
1 341 . 11 1 1 A 34 34 THR HA H 34 4.320 4.159 0.161 1
1 346 . 11 1 1 A 34 34 THR C C 34 175.641 175.167 0.474 1
1 347 . 11 1 1 A 34 34 THR CA C 34 62.869 63.683 -0.814 1
1 348 . 11 1 1 A 34 34 THR CB C 34 69.771 68.426 1.345 1
1 350 . 11 1 1 A 34 34 THR N N 34 112.089 111.593 0.496 1
1 351 . 11 1 1 A 35 35 GLY H H 35 8.210 9.078 -0.868 1
1 352 . 11 1 1 A 35 35 GLY HA2 H 35 4.019 3.902 0.117 1
1 353 . 11 1 1 A 35 35 GLY HA3 H 35 3.944 3.908 0.036 1
1 354 . 11 1 1 A 35 35 GLY C C 35 174.359 174.315 0.044 1
1 355 . 11 1 1 A 35 35 GLY CA C 35 45.494 46.349 -0.855 1
1 356 . 11 1 1 A 35 35 GLY N N 35 110.437 114.075 -3.638 1
1 357 . 11 1 1 A 36 36 GLU H H 36 8.085 8.061 0.024 1
1 358 . 11 1 1 A 36 36 GLU HA H 36 4.214 4.630 -0.416 1
1 363 . 11 1 1 A 36 36 GLU C C 36 176.485 176.091 0.394 1
1 364 . 11 1 1 A 36 36 GLU CA C 36 56.691 57.405 -0.714 1
1 365 . 11 1 1 A 36 36 GLU CB C 36 30.455 32.214 -1.759 1
1 367 . 11 1 1 A 36 36 GLU N N 36 120.789 119.768 1.021 1
1 368 . 11 1 1 A 37 37 LYS H H 37 8.316 7.002 1.314 1
1 369 . 11 1 1 A 37 37 LYS HA H 37 4.313 4.293 0.020 1
1 378 . 11 1 1 A 37 37 LYS C C 37 176.554 176.629 -0.075 1
1 379 . 11 1 1 A 37 37 LYS CA C 37 56.270 56.745 -0.475 1
1 380 . 11 1 1 A 37 37 LYS CB C 37 32.830 32.834 -0.004 1
1 384 . 11 1 1 A 37 37 LYS N N 37 122.204 117.047 5.157 1
1 385 . 11 1 1 A 38 38 LEU H H 38 8.295 8.895 -0.600 1
1 386 . 11 1 1 A 38 38 LEU HA H 38 4.390 4.487 -0.097 1
1 396 . 11 1 1 A 38 38 LEU C C 38 177.408 176.855 0.553 1
1 397 . 11 1 1 A 38 38 LEU CA C 38 55.081 56.475 -1.394 1
1 398 . 11 1 1 A 38 38 LEU CB C 38 42.248 44.355 -2.107 1
1 402 . 11 1 1 A 38 38 LEU N N 38 123.561 124.965 -1.404 1
1 403 . 11 1 1 A 39 39 SER H H 39 8.293 7.962 0.331 1
1 404 . 11 1 1 A 39 39 SER HA H 39 4.487 4.548 -0.061 1
1 407 . 11 1 1 A 39 39 SER C C 39 174.479 174.976 -0.497 1
1 408 . 11 1 1 A 39 39 SER CA C 39 58.221 58.221 0.000 1
1 409 . 11 1 1 A 39 39 SER CB C 39 63.918 62.479 1.439 1
1 410 . 11 1 1 A 39 39 SER N N 39 116.483 111.252 5.231 1
1 411 . 11 1 1 A 40 40 GLY H H 40 8.210 8.329 -0.119 1
1 412 . 11 1 1 A 40 40 GLY HA2 H 40 4.163 4.113 0.050 1
1 413 . 11 1 1 A 40 40 GLY HA3 H 40 4.097 4.114 -0.017 1
1 414 . 11 1 1 A 40 40 GLY C C 40 171.732 173.578 -1.846 1
1 415 . 11 1 1 A 40 40 GLY CA C 40 44.672 44.979 -0.307 1
1 416 . 11 1 1 A 40 40 GLY N N 40 110.630 112.764 -2.134 1
1 417 . 11 1 1 A 41 41 PRO HA H 41 4.476 4.656 -0.180 1
1 424 . 11 1 1 A 41 41 PRO C C 41 177.357 175.316 2.041 1
1 425 . 11 1 1 A 41 41 PRO CA C 41 63.215 62.506 0.709 1
1 426 . 11 1 1 A 41 41 PRO CB C 41 32.212 33.049 -0.837 1
1 429 . 11 1 1 A 42 42 SER H H 42 8.535 8.713 -0.178 1
1 430 . 11 1 1 A 42 42 SER HA H 42 4.470 5.028 -0.558 1
1 433 . 11 1 1 A 42 42 SER C C 42 174.589 172.407 2.182 1
1 434 . 11 1 1 A 42 42 SER CA C 42 58.435 56.789 1.646 1
1 435 . 11 1 1 A 42 42 SER CB C 42 63.984 66.049 -2.065 1
1 436 . 11 1 1 A 42 42 SER N N 42 116.375 116.643 -0.268 1
1 437 . 11 1 1 A 43 43 SER H H 43 8.303 8.682 -0.379 1
1 438 . 11 1 1 A 43 43 SER HA H 43 4.457 4.341 0.116 1
1 441 . 11 1 1 A 43 43 SER C C 43 173.896 176.313 -2.417 1
1 442 . 11 1 1 A 43 43 SER CA C 43 58.281 58.825 -0.544 1
1 443 . 11 1 1 A 43 43 SER CB C 43 64.036 63.895 0.141 1
1 444 . 11 1 1 A 43 43 SER N N 43 117.817 119.891 -2.074 1
1 1 . 12 1 1 A 6 6 SER HA H 6 4.443 5.446 -1.003 1
1 4 . 12 1 1 A 6 6 SER C C 6 174.977 173.583 1.394 1
1 5 . 12 1 1 A 6 6 SER CA C 6 58.518 56.305 2.213 1
1 6 . 12 1 1 A 6 6 SER CB C 6 63.628 66.053 -2.425 1
1 7 . 12 1 1 A 7 7 GLY H H 7 8.375 8.590 -0.215 1
1 8 . 12 1 1 A 7 7 GLY HA2 H 7 3.943 4.063 -0.120 1
1 9 . 12 1 1 A 7 7 GLY HA3 H 7 3.943 4.081 -0.138 1
1 10 . 12 1 1 A 7 7 GLY C C 7 174.013 172.719 1.294 1
1 11 . 12 1 1 A 7 7 GLY CA C 7 45.265 45.350 -0.085 1
1 12 . 12 1 1 A 7 7 GLY N N 7 110.641 109.753 0.888 1
1 13 . 12 1 1 A 8 8 GLU H H 8 8.221 8.371 -0.150 1
1 14 . 12 1 1 A 8 8 GLU HA H 8 4.211 4.601 -0.390 1
1 19 . 12 1 1 A 8 8 GLU C C 8 176.367 175.479 0.888 1
1 20 . 12 1 1 A 8 8 GLU CA C 8 56.659 54.731 1.928 1
1 21 . 12 1 1 A 8 8 GLU CB C 8 30.440 30.094 0.346 1
1 23 . 12 1 1 A 8 8 GLU N N 8 120.286 123.699 -3.413 1
1 24 . 12 1 1 A 9 9 LYS H H 9 8.366 8.432 -0.066 1
1 25 . 12 1 1 A 9 9 LYS HA H 9 4.523 4.192 0.331 1
1 34 . 12 1 1 A 9 9 LYS C C 9 174.265 176.327 -2.062 1
1 35 . 12 1 1 A 9 9 LYS CA C 9 53.760 56.783 -3.023 1
1 36 . 12 1 1 A 9 9 LYS CB C 9 32.697 30.398 2.299 1
1 40 . 12 1 1 A 9 9 LYS N N 9 122.243 124.949 -2.706 1
1 41 . 12 1 1 A 10 10 PRO HA H 10 4.279 4.419 -0.140 1
1 48 . 12 1 1 A 10 10 PRO C C 10 176.457 175.720 0.737 1
1 49 . 12 1 1 A 10 10 PRO CA C 10 63.415 64.831 -1.416 1
1 50 . 12 1 1 A 10 10 PRO CB C 10 32.074 31.686 0.388 1
1 53 . 12 1 1 A 11 11 TYR H H 11 8.273 7.588 0.685 1
1 54 . 12 1 1 A 11 11 TYR HA H 11 4.715 5.033 -0.318 1
1 61 . 12 1 1 A 11 11 TYR C C 11 174.995 175.718 -0.723 1
1 62 . 12 1 1 A 11 11 TYR CA C 11 56.584 56.333 0.251 1
1 63 . 12 1 1 A 11 11 TYR CB C 11 38.169 41.416 -3.247 1
1 68 . 12 1 1 A 11 11 TYR N N 11 118.862 118.965 -0.103 1
1 69 . 12 1 1 A 12 12 GLY H H 12 8.221 8.781 -0.560 1
1 70 . 12 1 1 A 12 12 GLY HA2 H 12 3.613 4.338 -0.725 1
1 71 . 12 1 1 A 12 12 GLY HA3 H 12 4.865 4.500 0.365 1
1 72 . 12 1 1 A 12 12 GLY C C 12 173.074 172.130 0.944 1
1 73 . 12 1 1 A 12 12 GLY CA C 12 44.870 46.007 -1.137 1
1 74 . 12 1 1 A 12 12 GLY N N 12 110.093 108.933 1.160 1
1 75 . 12 1 1 A 13 13 CYS H H 13 9.115 9.073 0.042 1
1 76 . 12 1 1 A 13 13 CYS HA H 13 4.665 4.896 -0.231 1
1 79 . 12 1 1 A 13 13 CYS C C 13 177.041 175.667 1.374 1
1 80 . 12 1 1 A 13 13 CYS CA C 13 58.883 58.066 0.817 1
1 81 . 12 1 1 A 13 13 CYS CB C 13 29.920 29.030 0.890 1
1 82 . 12 1 1 A 13 13 CYS N N 13 123.945 118.992 4.953 1
1 83 . 12 1 1 A 14 14 ASN H H 14 9.374 9.056 0.318 1
1 84 . 12 1 1 A 14 14 ASN HA H 14 4.550 4.508 0.042 1
1 89 . 12 1 1 A 14 14 ASN C C 14 175.484 177.604 -2.120 1
1 90 . 12 1 1 A 14 14 ASN CA C 14 55.420 55.962 -0.542 1
1 91 . 12 1 1 A 14 14 ASN CB C 14 38.238 38.114 0.124 1
1 92 . 12 1 1 A 14 14 ASN N N 14 129.983 126.043 3.940 1
1 94 . 12 1 1 A 15 15 GLU H H 15 8.645 8.325 0.320 1
1 95 . 12 1 1 A 15 15 GLU HA H 15 4.212 3.972 0.240 1
1 100 . 12 1 1 A 15 15 GLU C C 15 177.052 177.996 -0.944 1
1 101 . 12 1 1 A 15 15 GLU CA C 15 58.326 59.309 -0.983 1
1 102 . 12 1 1 A 15 15 GLU CB C 15 29.466 29.129 0.337 1
1 104 . 12 1 1 A 15 15 GLU N N 15 120.926 119.943 0.983 1
1 105 . 12 1 1 A 16 16 CYS H H 16 7.846 7.752 0.094 1
1 106 . 12 1 1 A 16 16 CYS HA H 16 5.144 4.560 0.584 1
1 109 . 12 1 1 A 16 16 CYS C C 16 176.147 175.228 0.919 1
1 110 . 12 1 1 A 16 16 CYS CA C 16 58.213 59.565 -1.352 1
1 111 . 12 1 1 A 16 16 CYS CB C 16 32.251 29.513 2.738 1
1 112 . 12 1 1 A 16 16 CYS N N 16 114.327 114.924 -0.597 1
1 113 . 12 1 1 A 17 17 GLY H H 17 8.188 7.764 0.424 1
1 114 . 12 1 1 A 17 17 GLY HA2 H 17 3.875 4.059 -0.184 1
1 115 . 12 1 1 A 17 17 GLY HA3 H 17 4.202 4.070 0.132 1
1 116 . 12 1 1 A 17 17 GLY C C 17 174.225 174.323 -0.098 1
1 117 . 12 1 1 A 17 17 GLY CA C 17 46.360 45.188 1.172 1
1 118 . 12 1 1 A 17 17 GLY N N 17 113.009 110.170 2.839 1
1 119 . 12 1 1 A 18 18 LYS H H 18 7.801 7.561 0.240 1
1 120 . 12 1 1 A 18 18 LYS HA H 18 4.087 4.486 -0.399 1
1 129 . 12 1 1 A 18 18 LYS C C 18 173.597 175.000 -1.403 1
1 130 . 12 1 1 A 18 18 LYS CA C 18 57.553 55.416 2.137 1
1 131 . 12 1 1 A 18 18 LYS CB C 18 34.123 33.719 0.404 1
1 135 . 12 1 1 A 18 18 LYS N N 18 122.310 121.522 0.788 1
1 136 . 12 1 1 A 19 19 ASP H H 19 7.782 8.530 -0.748 1
1 137 . 12 1 1 A 19 19 ASP HA H 19 5.140 5.494 -0.354 1
1 140 . 12 1 1 A 19 19 ASP C C 19 174.660 174.283 0.377 1
1 141 . 12 1 1 A 19 19 ASP CA C 19 52.887 52.185 0.702 1
1 142 . 12 1 1 A 19 19 ASP CB C 19 43.759 44.017 -0.258 1
1 143 . 12 1 1 A 19 19 ASP N N 19 118.910 122.981 -4.071 1
1 144 . 12 1 1 A 20 20 PHE H H 20 8.207 8.831 -0.624 1
1 145 . 12 1 1 A 20 20 PHE HA H 20 4.735 4.950 -0.215 1
1 153 . 12 1 1 A 20 20 PHE C C 20 175.997 175.759 0.238 1
1 154 . 12 1 1 A 20 20 PHE CA C 20 57.637 56.933 0.704 1
1 155 . 12 1 1 A 20 20 PHE CB C 20 43.683 43.298 0.385 1
1 161 . 12 1 1 A 20 20 PHE N N 20 116.189 120.508 -4.319 1
1 162 . 12 1 1 A 21 21 SER H H 21 9.247 9.173 0.074 1
1 163 . 12 1 1 A 21 21 SER HA H 21 4.557 4.605 -0.048 1
1 166 . 12 1 1 A 21 21 SER C C 21 173.988 173.963 0.025 1
1 167 . 12 1 1 A 21 21 SER CA C 21 59.854 60.944 -1.090 1
1 168 . 12 1 1 A 21 21 SER CB C 21 63.994 63.370 0.624 1
1 169 . 12 1 1 A 21 21 SER N N 21 114.221 117.973 -3.752 1
1 170 . 12 1 1 A 22 22 SER H H 22 7.490 8.411 -0.921 1
1 171 . 12 1 1 A 22 22 SER HA H 22 4.473 4.887 -0.414 1
1 174 . 12 1 1 A 22 22 SER C C 22 173.228 174.775 -1.547 1
1 175 . 12 1 1 A 22 22 SER CA C 22 56.284 57.301 -1.017 1
1 176 . 12 1 1 A 22 22 SER CB C 22 66.196 65.601 0.595 1
1 177 . 12 1 1 A 22 22 SER N N 22 113.081 113.790 -0.709 1
1 178 . 12 1 1 A 23 23 LYS H H 23 8.298 8.707 -0.409 1
1 179 . 12 1 1 A 23 23 LYS HA H 23 3.376 3.223 0.153 1
1 188 . 12 1 1 A 23 23 LYS C C 23 177.950 178.238 -0.288 1
1 189 . 12 1 1 A 23 23 LYS CA C 23 58.783 58.196 0.587 1
1 190 . 12 1 1 A 23 23 LYS CB C 23 31.851 32.143 -0.292 1
1 194 . 12 1 1 A 23 23 LYS N N 23 124.483 125.305 -0.822 1
1 195 . 12 1 1 A 24 24 SER H H 24 8.124 7.992 0.132 1
1 196 . 12 1 1 A 24 24 SER HA H 24 3.971 3.992 -0.021 1
1 199 . 12 1 1 A 24 24 SER C C 24 176.849 176.322 0.527 1
1 200 . 12 1 1 A 24 24 SER CA C 24 61.969 62.115 -0.146 1
1 201 . 12 1 1 A 24 24 SER CB C 24 61.969 62.451 -0.482 1
1 202 . 12 1 1 A 24 24 SER N N 24 113.002 116.341 -3.339 1
1 203 . 12 1 1 A 25 25 TYR H H 25 7.305 7.887 -0.582 1
1 204 . 12 1 1 A 25 25 TYR HA H 25 4.325 4.233 0.092 1
1 211 . 12 1 1 A 25 25 TYR C C 25 178.583 177.662 0.921 1
1 212 . 12 1 1 A 25 25 TYR CA C 25 59.396 60.808 -1.412 1
1 213 . 12 1 1 A 25 25 TYR CB C 25 37.560 38.573 -1.013 1
1 218 . 12 1 1 A 25 25 TYR N N 25 119.444 120.235 -0.791 1
1 219 . 12 1 1 A 26 26 LEU H H 26 7.358 7.724 -0.366 1
1 220 . 12 1 1 A 26 26 LEU HA H 26 3.339 2.630 0.709 1
1 230 . 12 1 1 A 26 26 LEU C C 26 177.371 178.385 -1.014 1
1 231 . 12 1 1 A 26 26 LEU CA C 26 58.191 57.813 0.378 1
1 232 . 12 1 1 A 26 26 LEU CB C 26 40.695 41.303 -0.608 1
1 236 . 12 1 1 A 26 26 LEU N N 26 122.536 120.876 1.660 1
1 237 . 12 1 1 A 27 27 ILE H H 27 8.225 7.948 0.277 1
1 238 . 12 1 1 A 27 27 ILE HA H 27 3.778 3.585 0.193 1
1 248 . 12 1 1 A 27 27 ILE C C 27 179.086 178.611 0.475 1
1 249 . 12 1 1 A 27 27 ILE CA C 27 64.790 65.176 -0.386 1
1 250 . 12 1 1 A 27 27 ILE CB C 27 37.725 37.740 -0.015 1
1 254 . 12 1 1 A 27 27 ILE N N 27 119.370 119.944 -0.574 1
1 255 . 12 1 1 A 28 28 VAL H H 28 7.394 8.109 -0.715 1
1 256 . 12 1 1 A 28 28 VAL HA H 28 3.507 3.555 -0.048 1
1 264 . 12 1 1 A 28 28 VAL C C 28 178.897 178.249 0.648 1
1 265 . 12 1 1 A 28 28 VAL CA C 28 66.606 66.196 0.410 1
1 266 . 12 1 1 A 28 28 VAL CB C 28 31.929 31.655 0.274 1
1 269 . 12 1 1 A 28 28 VAL N N 28 118.982 120.855 -1.873 1
1 270 . 12 1 1 A 29 29 HIS H H 29 7.587 8.082 -0.495 1
1 271 . 12 1 1 A 29 29 HIS HA H 29 4.134 4.238 -0.104 1
1 276 . 12 1 1 A 29 29 HIS C C 29 176.397 177.122 -0.725 1
1 277 . 12 1 1 A 29 29 HIS CA C 29 59.312 59.817 -0.505 1
1 278 . 12 1 1 A 29 29 HIS CB C 29 27.959 29.904 -1.945 1
1 281 . 12 1 1 A 29 29 HIS N N 29 119.908 119.537 0.371 1
1 282 . 12 1 1 A 30 30 GLN H H 30 8.502 8.658 -0.156 1
1 283 . 12 1 1 A 30 30 GLN HA H 30 3.615 4.005 -0.390 1
1 290 . 12 1 1 A 30 30 GLN C C 30 177.427 178.658 -1.231 1
1 291 . 12 1 1 A 30 30 GLN CA C 30 59.579 59.240 0.339 1
1 292 . 12 1 1 A 30 30 GLN CB C 30 28.227 28.367 -0.140 1
1 294 . 12 1 1 A 30 30 GLN N N 30 115.041 117.365 -2.324 1
1 296 . 12 1 1 A 31 31 ARG H H 31 7.242 7.969 -0.727 1
1 297 . 12 1 1 A 31 31 ARG HA H 31 4.142 4.084 0.058 1
1 304 . 12 1 1 A 31 31 ARG C C 31 178.802 179.180 -0.378 1
1 305 . 12 1 1 A 31 31 ARG CA C 31 58.548 59.052 -0.504 1
1 306 . 12 1 1 A 31 31 ARG CB C 31 30.083 29.810 0.273 1
1 309 . 12 1 1 A 31 31 ARG N N 31 118.327 120.010 -1.683 1
1 310 . 12 1 1 A 32 32 ILE H H 32 7.871 8.181 -0.310 1
1 311 . 12 1 1 A 32 32 ILE HA H 32 3.947 3.808 0.139 1
1 321 . 12 1 1 A 32 32 ILE C C 32 177.496 176.333 1.163 1
1 322 . 12 1 1 A 32 32 ILE CA C 32 63.124 63.180 -0.056 1
1 323 . 12 1 1 A 32 32 ILE CB C 32 37.609 37.229 0.380 1
1 327 . 12 1 1 A 32 32 ILE N N 32 116.287 117.315 -1.028 1
1 328 . 12 1 1 A 33 33 HIS H H 33 7.158 7.784 -0.626 1
1 329 . 12 1 1 A 33 33 HIS HA H 33 4.846 4.750 0.096 1
1 334 . 12 1 1 A 33 33 HIS C C 33 176.000 174.647 1.353 1
1 335 . 12 1 1 A 33 33 HIS CA C 33 55.125 55.339 -0.214 1
1 336 . 12 1 1 A 33 33 HIS CB C 33 28.536 29.973 -1.437 1
1 339 . 12 1 1 A 33 33 HIS N N 33 117.660 119.685 -2.025 1
1 340 . 12 1 1 A 34 34 THR H H 34 7.811 7.906 -0.095 1
1 341 . 12 1 1 A 34 34 THR HA H 34 4.320 4.880 -0.560 1
1 346 . 12 1 1 A 34 34 THR C C 34 175.641 174.019 1.622 1
1 347 . 12 1 1 A 34 34 THR CA C 34 62.869 59.654 3.215 1
1 348 . 12 1 1 A 34 34 THR CB C 34 69.771 71.625 -1.854 1
1 350 . 12 1 1 A 34 34 THR N N 34 112.089 110.018 2.071 1
1 351 . 12 1 1 A 35 35 GLY H H 35 8.210 8.705 -0.495 1
1 352 . 12 1 1 A 35 35 GLY HA2 H 35 4.019 3.979 0.040 1
1 353 . 12 1 1 A 35 35 GLY HA3 H 35 3.944 3.985 -0.041 1
1 354 . 12 1 1 A 35 35 GLY C C 35 174.359 174.528 -0.169 1
1 355 . 12 1 1 A 35 35 GLY CA C 35 45.494 46.840 -1.346 1
1 356 . 12 1 1 A 35 35 GLY N N 35 110.437 109.200 1.237 1
1 357 . 12 1 1 A 36 36 GLU H H 36 8.085 8.115 -0.030 1
1 358 . 12 1 1 A 36 36 GLU HA H 36 4.214 4.503 -0.289 1
1 363 . 12 1 1 A 36 36 GLU C C 36 176.485 177.872 -1.387 1
1 364 . 12 1 1 A 36 36 GLU CA C 36 56.691 57.213 -0.522 1
1 365 . 12 1 1 A 36 36 GLU CB C 36 30.455 31.186 -0.731 1
1 367 . 12 1 1 A 36 36 GLU N N 36 120.789 120.434 0.355 1
1 368 . 12 1 1 A 37 37 LYS H H 37 8.316 8.021 0.295 1
1 369 . 12 1 1 A 37 37 LYS HA H 37 4.313 4.009 0.304 1
1 378 . 12 1 1 A 37 37 LYS C C 37 176.554 177.557 -1.003 1
1 379 . 12 1 1 A 37 37 LYS CA C 37 56.270 59.453 -3.183 1
1 380 . 12 1 1 A 37 37 LYS CB C 37 32.830 32.253 0.577 1
1 384 . 12 1 1 A 37 37 LYS N N 37 122.204 120.138 2.066 1
1 385 . 12 1 1 A 38 38 LEU H H 38 8.295 7.531 0.764 1
1 386 . 12 1 1 A 38 38 LEU HA H 38 4.390 4.342 0.048 1
1 396 . 12 1 1 A 38 38 LEU C C 38 177.408 176.908 0.500 1
1 397 . 12 1 1 A 38 38 LEU CA C 38 55.081 55.146 -0.065 1
1 398 . 12 1 1 A 38 38 LEU CB C 38 42.248 43.024 -0.776 1
1 402 . 12 1 1 A 38 38 LEU N N 38 123.561 119.712 3.849 1
1 403 . 12 1 1 A 39 39 SER H H 39 8.293 8.989 -0.696 1
1 404 . 12 1 1 A 39 39 SER HA H 39 4.487 4.255 0.232 1
1 407 . 12 1 1 A 39 39 SER C C 39 174.479 175.764 -1.285 1
1 408 . 12 1 1 A 39 39 SER CA C 39 58.221 61.181 -2.960 1
1 409 . 12 1 1 A 39 39 SER CB C 39 63.918 63.175 0.743 1
1 410 . 12 1 1 A 39 39 SER N N 39 116.483 121.398 -4.915 1
1 411 . 12 1 1 A 40 40 GLY H H 40 8.210 8.016 0.194 1
1 412 . 12 1 1 A 40 40 GLY HA2 H 40 4.163 4.082 0.081 1
1 413 . 12 1 1 A 40 40 GLY HA3 H 40 4.097 4.082 0.015 1
1 414 . 12 1 1 A 40 40 GLY C C 40 171.732 173.139 -1.407 1
1 415 . 12 1 1 A 40 40 GLY CA C 40 44.672 44.398 0.274 1
1 416 . 12 1 1 A 40 40 GLY N N 40 110.630 110.187 0.443 1
1 417 . 12 1 1 A 41 41 PRO HA H 41 4.476 4.698 -0.222 1
1 424 . 12 1 1 A 41 41 PRO C C 41 177.357 176.349 1.008 1
1 425 . 12 1 1 A 41 41 PRO CA C 41 63.215 62.255 0.960 1
1 426 . 12 1 1 A 41 41 PRO CB C 41 32.212 29.667 2.545 1
1 429 . 12 1 1 A 42 42 SER H H 42 8.535 8.076 0.459 1
1 430 . 12 1 1 A 42 42 SER HA H 42 4.470 4.771 -0.301 1
1 433 . 12 1 1 A 42 42 SER C C 42 174.589 174.550 0.039 1
1 434 . 12 1 1 A 42 42 SER CA C 42 58.435 57.029 1.406 1
1 435 . 12 1 1 A 42 42 SER CB C 42 63.984 65.291 -1.307 1
1 436 . 12 1 1 A 42 42 SER N N 42 116.375 115.238 1.137 1
1 437 . 12 1 1 A 43 43 SER H H 43 8.303 8.633 -0.330 1
1 438 . 12 1 1 A 43 43 SER HA H 43 4.457 5.271 -0.814 1
1 441 . 12 1 1 A 43 43 SER C C 43 173.896 173.512 0.384 1
1 442 . 12 1 1 A 43 43 SER CA C 43 58.281 56.182 2.099 1
1 443 . 12 1 1 A 43 43 SER CB C 43 64.036 66.024 -1.988 1
1 444 . 12 1 1 A 43 43 SER N N 43 117.817 114.024 3.793 1
1 1 . 13 1 1 A 6 6 SER HA H 6 4.443 4.654 -0.211 1
1 4 . 13 1 1 A 6 6 SER C C 6 174.977 174.319 0.658 1
1 5 . 13 1 1 A 6 6 SER CA C 6 58.518 57.855 0.663 1
1 6 . 13 1 1 A 6 6 SER CB C 6 63.628 63.415 0.213 1
1 7 . 13 1 1 A 7 7 GLY H H 7 8.375 8.946 -0.571 1
1 8 . 13 1 1 A 7 7 GLY HA2 H 7 3.943 4.147 -0.204 1
1 9 . 13 1 1 A 7 7 GLY HA3 H 7 3.943 4.173 -0.230 1
1 10 . 13 1 1 A 7 7 GLY C C 7 174.013 172.009 2.004 1
1 11 . 13 1 1 A 7 7 GLY CA C 7 45.265 45.121 0.144 1
1 12 . 13 1 1 A 7 7 GLY N N 7 110.641 110.708 -0.067 1
1 13 . 13 1 1 A 8 8 GLU H H 8 8.221 8.807 -0.586 1
1 14 . 13 1 1 A 8 8 GLU HA H 8 4.211 4.678 -0.467 1
1 19 . 13 1 1 A 8 8 GLU C C 8 176.367 175.480 0.887 1
1 20 . 13 1 1 A 8 8 GLU CA C 8 56.659 54.641 2.018 1
1 21 . 13 1 1 A 8 8 GLU CB C 8 30.440 30.166 0.274 1
1 23 . 13 1 1 A 8 8 GLU N N 8 120.286 124.864 -4.578 1
1 24 . 13 1 1 A 9 9 LYS H H 9 8.366 8.587 -0.221 1
1 25 . 13 1 1 A 9 9 LYS HA H 9 4.523 4.171 0.352 1
1 34 . 13 1 1 A 9 9 LYS C C 9 174.265 176.598 -2.333 1
1 35 . 13 1 1 A 9 9 LYS CA C 9 53.760 56.873 -3.113 1
1 36 . 13 1 1 A 9 9 LYS CB C 9 32.697 30.426 2.271 1
1 40 . 13 1 1 A 9 9 LYS N N 9 122.243 125.120 -2.877 1
1 41 . 13 1 1 A 10 10 PRO HA H 10 4.279 4.489 -0.210 1
1 48 . 13 1 1 A 10 10 PRO C C 10 176.457 175.844 0.613 1
1 49 . 13 1 1 A 10 10 PRO CA C 10 63.415 64.972 -1.557 1
1 50 . 13 1 1 A 10 10 PRO CB C 10 32.074 31.699 0.375 1
1 53 . 13 1 1 A 11 11 TYR H H 11 8.273 7.383 0.890 1
1 54 . 13 1 1 A 11 11 TYR HA H 11 4.715 4.976 -0.261 1
1 61 . 13 1 1 A 11 11 TYR C C 11 174.995 175.888 -0.893 1
1 62 . 13 1 1 A 11 11 TYR CA C 11 56.584 56.761 -0.177 1
1 63 . 13 1 1 A 11 11 TYR CB C 11 38.169 40.732 -2.563 1
1 68 . 13 1 1 A 11 11 TYR N N 11 118.862 118.958 -0.096 1
1 69 . 13 1 1 A 12 12 GLY H H 12 8.221 8.837 -0.616 1
1 70 . 13 1 1 A 12 12 GLY HA2 H 12 3.613 4.436 -0.823 1
1 71 . 13 1 1 A 12 12 GLY HA3 H 12 4.865 4.558 0.307 1
1 72 . 13 1 1 A 12 12 GLY C C 12 173.074 172.245 0.829 1
1 73 . 13 1 1 A 12 12 GLY CA C 12 44.870 45.568 -0.698 1
1 74 . 13 1 1 A 12 12 GLY N N 12 110.093 109.499 0.594 1
1 75 . 13 1 1 A 13 13 CYS H H 13 9.115 9.035 0.080 1
1 76 . 13 1 1 A 13 13 CYS HA H 13 4.665 4.851 -0.186 1
1 79 . 13 1 1 A 13 13 CYS C C 13 177.041 175.620 1.421 1
1 80 . 13 1 1 A 13 13 CYS CA C 13 58.883 59.073 -0.190 1
1 81 . 13 1 1 A 13 13 CYS CB C 13 29.920 28.615 1.305 1
1 82 . 13 1 1 A 13 13 CYS N N 13 123.945 119.058 4.887 1
1 83 . 13 1 1 A 14 14 ASN H H 14 9.374 9.030 0.344 1
1 84 . 13 1 1 A 14 14 ASN HA H 14 4.550 4.992 -0.442 1
1 89 . 13 1 1 A 14 14 ASN C C 14 175.484 175.716 -0.232 1
1 90 . 13 1 1 A 14 14 ASN CA C 14 55.420 53.038 2.382 1
1 91 . 13 1 1 A 14 14 ASN CB C 14 38.238 39.277 -1.039 1
1 92 . 13 1 1 A 14 14 ASN N N 14 129.983 126.012 3.971 1
1 94 . 13 1 1 A 15 15 GLU H H 15 8.645 7.561 1.084 1
1 95 . 13 1 1 A 15 15 GLU HA H 15 4.212 4.447 -0.235 1
1 100 . 13 1 1 A 15 15 GLU C C 15 177.052 177.741 -0.689 1
1 101 . 13 1 1 A 15 15 GLU CA C 15 58.326 56.819 1.507 1
1 102 . 13 1 1 A 15 15 GLU CB C 15 29.466 31.832 -2.366 1
1 104 . 13 1 1 A 15 15 GLU N N 15 120.926 118.012 2.914 1
1 105 . 13 1 1 A 16 16 CYS H H 16 7.846 7.925 -0.079 1
1 106 . 13 1 1 A 16 16 CYS HA H 16 5.144 4.698 0.446 1
1 109 . 13 1 1 A 16 16 CYS C C 16 176.147 175.651 0.496 1
1 110 . 13 1 1 A 16 16 CYS CA C 16 58.213 59.333 -1.120 1
1 111 . 13 1 1 A 16 16 CYS CB C 16 32.251 30.310 1.941 1
1 112 . 13 1 1 A 16 16 CYS N N 16 114.327 114.668 -0.341 1
1 113 . 13 1 1 A 17 17 GLY H H 17 8.188 7.960 0.228 1
1 114 . 13 1 1 A 17 17 GLY HA2 H 17 3.875 4.069 -0.194 1
1 115 . 13 1 1 A 17 17 GLY HA3 H 17 4.202 4.077 0.125 1
1 116 . 13 1 1 A 17 17 GLY C C 17 174.225 174.615 -0.390 1
1 117 . 13 1 1 A 17 17 GLY CA C 17 46.360 44.913 1.447 1
1 118 . 13 1 1 A 17 17 GLY N N 17 113.009 109.749 3.260 1
1 119 . 13 1 1 A 18 18 LYS H H 18 7.801 7.528 0.273 1
1 120 . 13 1 1 A 18 18 LYS HA H 18 4.087 4.172 -0.085 1
1 129 . 13 1 1 A 18 18 LYS C C 18 173.597 175.232 -1.635 1
1 130 . 13 1 1 A 18 18 LYS CA C 18 57.553 56.134 1.419 1
1 131 . 13 1 1 A 18 18 LYS CB C 18 34.123 33.389 0.734 1
1 135 . 13 1 1 A 18 18 LYS N N 18 122.310 122.486 -0.176 1
1 136 . 13 1 1 A 19 19 ASP H H 19 7.782 8.109 -0.327 1
1 137 . 13 1 1 A 19 19 ASP HA H 19 5.140 5.255 -0.115 1
1 140 . 13 1 1 A 19 19 ASP C C 19 174.660 174.536 0.124 1
1 141 . 13 1 1 A 19 19 ASP CA C 19 52.887 52.486 0.401 1
1 142 . 13 1 1 A 19 19 ASP CB C 19 43.759 44.680 -0.921 1
1 143 . 13 1 1 A 19 19 ASP N N 19 118.910 122.566 -3.656 1
1 144 . 13 1 1 A 20 20 PHE H H 20 8.207 8.909 -0.702 1
1 145 . 13 1 1 A 20 20 PHE HA H 20 4.735 4.979 -0.244 1
1 153 . 13 1 1 A 20 20 PHE C C 20 175.997 175.883 0.114 1
1 154 . 13 1 1 A 20 20 PHE CA C 20 57.637 57.065 0.572 1
1 155 . 13 1 1 A 20 20 PHE CB C 20 43.683 43.622 0.061 1
1 161 . 13 1 1 A 20 20 PHE N N 20 116.189 120.641 -4.452 1
1 162 . 13 1 1 A 21 21 SER H H 21 9.247 9.097 0.150 1
1 163 . 13 1 1 A 21 21 SER HA H 21 4.557 4.676 -0.119 1
1 166 . 13 1 1 A 21 21 SER C C 21 173.988 174.887 -0.899 1
1 167 . 13 1 1 A 21 21 SER CA C 21 59.854 60.539 -0.685 1
1 168 . 13 1 1 A 21 21 SER CB C 21 63.994 64.327 -0.333 1
1 169 . 13 1 1 A 21 21 SER N N 21 114.221 116.654 -2.433 1
1 170 . 13 1 1 A 22 22 SER H H 22 7.490 8.294 -0.804 1
1 171 . 13 1 1 A 22 22 SER HA H 22 4.473 4.676 -0.203 1
1 174 . 13 1 1 A 22 22 SER C C 22 173.228 174.341 -1.113 1
1 175 . 13 1 1 A 22 22 SER CA C 22 56.284 57.117 -0.833 1
1 176 . 13 1 1 A 22 22 SER CB C 22 66.196 65.568 0.628 1
1 177 . 13 1 1 A 22 22 SER N N 22 113.081 116.376 -3.295 1
1 178 . 13 1 1 A 23 23 LYS H H 23 8.298 8.386 -0.088 1
1 179 . 13 1 1 A 23 23 LYS HA H 23 3.376 3.304 0.072 1
1 188 . 13 1 1 A 23 23 LYS C C 23 177.950 177.952 -0.002 1
1 189 . 13 1 1 A 23 23 LYS CA C 23 58.783 59.464 -0.681 1
1 190 . 13 1 1 A 23 23 LYS CB C 23 31.851 31.746 0.105 1
1 194 . 13 1 1 A 23 23 LYS N N 23 124.483 125.119 -0.636 1
1 195 . 13 1 1 A 24 24 SER H H 24 8.124 8.110 0.014 1
1 196 . 13 1 1 A 24 24 SER HA H 24 3.971 4.028 -0.057 1
1 199 . 13 1 1 A 24 24 SER C C 24 176.849 176.802 0.047 1
1 200 . 13 1 1 A 24 24 SER CA C 24 61.969 61.175 0.794 1
1 201 . 13 1 1 A 24 24 SER CB C 24 61.969 62.144 -0.175 1
1 202 . 13 1 1 A 24 24 SER N N 24 113.002 115.469 -2.467 1
1 203 . 13 1 1 A 25 25 TYR H H 25 7.305 7.921 -0.616 1
1 204 . 13 1 1 A 25 25 TYR HA H 25 4.325 4.300 0.025 1
1 211 . 13 1 1 A 25 25 TYR C C 25 178.583 177.801 0.782 1
1 212 . 13 1 1 A 25 25 TYR CA C 25 59.396 60.809 -1.413 1
1 213 . 13 1 1 A 25 25 TYR CB C 25 37.560 37.842 -0.282 1
1 218 . 13 1 1 A 25 25 TYR N N 25 119.444 119.382 0.062 1
1 219 . 13 1 1 A 26 26 LEU H H 26 7.358 7.653 -0.295 1
1 220 . 13 1 1 A 26 26 LEU HA H 26 3.339 3.064 0.275 1
1 230 . 13 1 1 A 26 26 LEU C C 26 177.371 178.368 -0.997 1
1 231 . 13 1 1 A 26 26 LEU CA C 26 58.191 57.545 0.646 1
1 232 . 13 1 1 A 26 26 LEU CB C 26 40.695 41.645 -0.950 1
1 236 . 13 1 1 A 26 26 LEU N N 26 122.536 120.764 1.772 1
1 237 . 13 1 1 A 27 27 ILE H H 27 8.225 8.381 -0.156 1
1 238 . 13 1 1 A 27 27 ILE HA H 27 3.778 3.638 0.140 1
1 248 . 13 1 1 A 27 27 ILE C C 27 179.086 178.652 0.434 1
1 249 . 13 1 1 A 27 27 ILE CA C 27 64.790 65.080 -0.290 1
1 250 . 13 1 1 A 27 27 ILE CB C 27 37.725 37.676 0.049 1
1 254 . 13 1 1 A 27 27 ILE N N 27 119.370 119.661 -0.291 1
1 255 . 13 1 1 A 28 28 VAL H H 28 7.394 8.046 -0.652 1
1 256 . 13 1 1 A 28 28 VAL HA H 28 3.507 3.587 -0.080 1
1 264 . 13 1 1 A 28 28 VAL C C 28 178.897 178.179 0.718 1
1 265 . 13 1 1 A 28 28 VAL CA C 28 66.606 66.050 0.556 1
1 266 . 13 1 1 A 28 28 VAL CB C 28 31.929 31.780 0.149 1
1 269 . 13 1 1 A 28 28 VAL N N 28 118.982 121.525 -2.543 1
1 270 . 13 1 1 A 29 29 HIS H H 29 7.587 7.914 -0.327 1
1 271 . 13 1 1 A 29 29 HIS HA H 29 4.134 4.213 -0.079 1
1 276 . 13 1 1 A 29 29 HIS C C 29 176.397 176.944 -0.547 1
1 277 . 13 1 1 A 29 29 HIS CA C 29 59.312 59.638 -0.326 1
1 278 . 13 1 1 A 29 29 HIS CB C 29 27.959 29.778 -1.819 1
1 281 . 13 1 1 A 29 29 HIS N N 29 119.908 119.515 0.393 1
1 282 . 13 1 1 A 30 30 GLN H H 30 8.502 8.552 -0.050 1
1 283 . 13 1 1 A 30 30 GLN HA H 30 3.615 4.029 -0.414 1
1 290 . 13 1 1 A 30 30 GLN C C 30 177.427 178.683 -1.256 1
1 291 . 13 1 1 A 30 30 GLN CA C 30 59.579 59.403 0.176 1
1 292 . 13 1 1 A 30 30 GLN CB C 30 28.227 28.404 -0.177 1
1 294 . 13 1 1 A 30 30 GLN N N 30 115.041 117.480 -2.439 1
1 296 . 13 1 1 A 31 31 ARG H H 31 7.242 8.010 -0.768 1
1 297 . 13 1 1 A 31 31 ARG HA H 31 4.142 4.332 -0.190 1
1 304 . 13 1 1 A 31 31 ARG C C 31 178.802 179.091 -0.289 1
1 305 . 13 1 1 A 31 31 ARG CA C 31 58.548 59.062 -0.514 1
1 306 . 13 1 1 A 31 31 ARG CB C 31 30.083 29.834 0.249 1
1 309 . 13 1 1 A 31 31 ARG N N 31 118.327 120.024 -1.697 1
1 310 . 13 1 1 A 32 32 ILE H H 32 7.871 8.151 -0.280 1
1 311 . 13 1 1 A 32 32 ILE HA H 32 3.947 3.801 0.146 1
1 321 . 13 1 1 A 32 32 ILE C C 32 177.496 176.473 1.023 1
1 322 . 13 1 1 A 32 32 ILE CA C 32 63.124 63.191 -0.067 1
1 323 . 13 1 1 A 32 32 ILE CB C 32 37.609 37.261 0.348 1
1 327 . 13 1 1 A 32 32 ILE N N 32 116.287 117.224 -0.937 1
1 328 . 13 1 1 A 33 33 HIS H H 33 7.158 7.655 -0.497 1
1 329 . 13 1 1 A 33 33 HIS HA H 33 4.846 4.733 0.113 1
1 334 . 13 1 1 A 33 33 HIS C C 33 176.000 174.259 1.741 1
1 335 . 13 1 1 A 33 33 HIS CA C 33 55.125 55.358 -0.233 1
1 336 . 13 1 1 A 33 33 HIS CB C 33 28.536 29.675 -1.139 1
1 339 . 13 1 1 A 33 33 HIS N N 33 117.660 119.914 -2.254 1
1 340 . 13 1 1 A 34 34 THR H H 34 7.811 7.917 -0.106 1
1 341 . 13 1 1 A 34 34 THR HA H 34 4.320 4.709 -0.389 1
1 346 . 13 1 1 A 34 34 THR C C 34 175.641 173.958 1.683 1
1 347 . 13 1 1 A 34 34 THR CA C 34 62.869 60.096 2.773 1
1 348 . 13 1 1 A 34 34 THR CB C 34 69.771 71.746 -1.975 1
1 350 . 13 1 1 A 34 34 THR N N 34 112.089 111.003 1.086 1
1 351 . 13 1 1 A 35 35 GLY H H 35 8.210 8.573 -0.363 1
1 352 . 13 1 1 A 35 35 GLY HA2 H 35 4.019 4.005 0.014 1
1 353 . 13 1 1 A 35 35 GLY HA3 H 35 3.944 4.009 -0.065 1
1 354 . 13 1 1 A 35 35 GLY C C 35 174.359 174.668 -0.309 1
1 355 . 13 1 1 A 35 35 GLY CA C 35 45.494 46.426 -0.932 1
1 356 . 13 1 1 A 35 35 GLY N N 35 110.437 110.779 -0.342 1
1 357 . 13 1 1 A 36 36 GLU H H 36 8.085 8.151 -0.066 1
1 358 . 13 1 1 A 36 36 GLU HA H 36 4.214 4.230 -0.016 1
1 363 . 13 1 1 A 36 36 GLU C C 36 176.485 175.636 0.849 1
1 364 . 13 1 1 A 36 36 GLU CA C 36 56.691 57.026 -0.335 1
1 365 . 13 1 1 A 36 36 GLU CB C 36 30.455 30.288 0.167 1
1 367 . 13 1 1 A 36 36 GLU N N 36 120.789 120.175 0.614 1
1 368 . 13 1 1 A 37 37 LYS H H 37 8.316 8.766 -0.450 1
1 369 . 13 1 1 A 37 37 LYS HA H 37 4.313 4.813 -0.500 1
1 378 . 13 1 1 A 37 37 LYS C C 37 176.554 176.050 0.504 1
1 379 . 13 1 1 A 37 37 LYS CA C 37 56.270 54.573 1.697 1
1 380 . 13 1 1 A 37 37 LYS CB C 37 32.830 35.231 -2.401 1
1 384 . 13 1 1 A 37 37 LYS N N 37 122.204 128.346 -6.142 1
1 385 . 13 1 1 A 38 38 LEU H H 38 8.295 8.522 -0.227 1
1 386 . 13 1 1 A 38 38 LEU HA H 38 4.390 4.342 0.048 1
1 396 . 13 1 1 A 38 38 LEU C C 38 177.408 175.423 1.985 1
1 397 . 13 1 1 A 38 38 LEU CA C 38 55.081 56.018 -0.937 1
1 398 . 13 1 1 A 38 38 LEU CB C 38 42.248 41.643 0.605 1
1 402 . 13 1 1 A 38 38 LEU N N 38 123.561 128.162 -4.601 1
1 403 . 13 1 1 A 39 39 SER H H 39 8.293 8.071 0.222 1
1 404 . 13 1 1 A 39 39 SER HA H 39 4.487 4.866 -0.379 1
1 407 . 13 1 1 A 39 39 SER C C 39 174.479 173.591 0.888 1
1 408 . 13 1 1 A 39 39 SER CA C 39 58.221 56.994 1.227 1
1 409 . 13 1 1 A 39 39 SER CB C 39 63.918 66.340 -2.422 1
1 410 . 13 1 1 A 39 39 SER N N 39 116.483 118.805 -2.322 1
1 411 . 13 1 1 A 40 40 GLY H H 40 8.210 8.487 -0.277 1
1 412 . 13 1 1 A 40 40 GLY HA2 H 40 4.163 4.024 0.139 1
1 413 . 13 1 1 A 40 40 GLY HA3 H 40 4.097 4.024 0.073 1
1 414 . 13 1 1 A 40 40 GLY C C 40 171.732 173.068 -1.336 1
1 415 . 13 1 1 A 40 40 GLY CA C 40 44.672 44.257 0.415 1
1 416 . 13 1 1 A 40 40 GLY N N 40 110.630 108.023 2.607 1
1 417 . 13 1 1 A 41 41 PRO HA H 41 4.476 4.611 -0.135 1
1 424 . 13 1 1 A 41 41 PRO C C 41 177.357 176.654 0.703 1
1 425 . 13 1 1 A 41 41 PRO CA C 41 63.215 62.724 0.491 1
1 426 . 13 1 1 A 41 41 PRO CB C 41 32.212 31.610 0.602 1
1 429 . 13 1 1 A 42 42 SER H H 42 8.535 8.662 -0.127 1
1 430 . 13 1 1 A 42 42 SER HA H 42 4.470 4.522 -0.052 1
1 433 . 13 1 1 A 42 42 SER C C 42 174.589 175.850 -1.261 1
1 434 . 13 1 1 A 42 42 SER CA C 42 58.435 58.518 -0.083 1
1 435 . 13 1 1 A 42 42 SER CB C 42 63.984 63.879 0.105 1
1 436 . 13 1 1 A 42 42 SER N N 42 116.375 118.291 -1.916 1
1 437 . 13 1 1 A 43 43 SER H H 43 8.303 8.605 -0.302 1
1 438 . 13 1 1 A 43 43 SER HA H 43 4.457 4.263 0.194 1
1 441 . 13 1 1 A 43 43 SER C C 43 173.896 174.375 -0.479 1
1 442 . 13 1 1 A 43 43 SER CA C 43 58.281 59.713 -1.432 1
1 443 . 13 1 1 A 43 43 SER CB C 43 64.036 63.830 0.206 1
1 444 . 13 1 1 A 43 43 SER N N 43 117.817 119.137 -1.320 1
1 1 . 14 1 1 A 6 6 SER HA H 6 4.443 4.517 -0.074 1
1 4 . 14 1 1 A 6 6 SER C C 6 174.977 174.644 0.333 1
1 5 . 14 1 1 A 6 6 SER CA C 6 58.518 58.547 -0.029 1
1 6 . 14 1 1 A 6 6 SER CB C 6 63.628 64.498 -0.870 1
1 7 . 14 1 1 A 7 7 GLY H H 7 8.375 8.642 -0.267 1
1 8 . 14 1 1 A 7 7 GLY HA2 H 7 3.943 4.202 -0.259 1
1 9 . 14 1 1 A 7 7 GLY HA3 H 7 3.943 4.229 -0.286 1
1 10 . 14 1 1 A 7 7 GLY C C 7 174.013 173.650 0.363 1
1 11 . 14 1 1 A 7 7 GLY CA C 7 45.265 45.819 -0.554 1
1 12 . 14 1 1 A 7 7 GLY N N 7 110.641 112.617 -1.976 1
1 13 . 14 1 1 A 8 8 GLU H H 8 8.221 7.976 0.245 1
1 14 . 14 1 1 A 8 8 GLU HA H 8 4.211 4.609 -0.398 1
1 19 . 14 1 1 A 8 8 GLU C C 8 176.367 175.553 0.814 1
1 20 . 14 1 1 A 8 8 GLU CA C 8 56.659 55.049 1.610 1
1 21 . 14 1 1 A 8 8 GLU CB C 8 30.440 27.984 2.456 1
1 23 . 14 1 1 A 8 8 GLU N N 8 120.286 120.527 -0.241 1
1 24 . 14 1 1 A 9 9 LYS H H 9 8.366 7.974 0.392 1
1 25 . 14 1 1 A 9 9 LYS HA H 9 4.523 4.139 0.384 1
1 34 . 14 1 1 A 9 9 LYS C C 9 174.265 176.586 -2.321 1
1 35 . 14 1 1 A 9 9 LYS CA C 9 53.760 56.813 -3.053 1
1 36 . 14 1 1 A 9 9 LYS CB C 9 32.697 30.338 2.359 1
1 40 . 14 1 1 A 9 9 LYS N N 9 122.243 119.972 2.271 1
1 41 . 14 1 1 A 10 10 PRO HA H 10 4.279 4.364 -0.085 1
1 48 . 14 1 1 A 10 10 PRO C C 10 176.457 175.692 0.765 1
1 49 . 14 1 1 A 10 10 PRO CA C 10 63.415 64.899 -1.484 1
1 50 . 14 1 1 A 10 10 PRO CB C 10 32.074 31.569 0.505 1
1 53 . 14 1 1 A 11 11 TYR H H 11 8.273 7.523 0.750 1
1 54 . 14 1 1 A 11 11 TYR HA H 11 4.715 5.184 -0.469 1
1 61 . 14 1 1 A 11 11 TYR C C 11 174.995 175.928 -0.933 1
1 62 . 14 1 1 A 11 11 TYR CA C 11 56.584 56.258 0.326 1
1 63 . 14 1 1 A 11 11 TYR CB C 11 38.169 41.307 -3.138 1
1 68 . 14 1 1 A 11 11 TYR N N 11 118.862 118.426 0.436 1
1 69 . 14 1 1 A 12 12 GLY H H 12 8.221 8.790 -0.569 1
1 70 . 14 1 1 A 12 12 GLY HA2 H 12 3.613 4.507 -0.894 1
1 71 . 14 1 1 A 12 12 GLY HA3 H 12 4.865 4.661 0.204 1
1 72 . 14 1 1 A 12 12 GLY C C 12 173.074 172.315 0.759 1
1 73 . 14 1 1 A 12 12 GLY CA C 12 44.870 45.554 -0.684 1
1 74 . 14 1 1 A 12 12 GLY N N 12 110.093 109.564 0.529 1
1 75 . 14 1 1 A 13 13 CYS H H 13 9.115 9.139 -0.024 1
1 76 . 14 1 1 A 13 13 CYS HA H 13 4.665 5.042 -0.377 1
1 79 . 14 1 1 A 13 13 CYS C C 13 177.041 174.584 2.457 1
1 80 . 14 1 1 A 13 13 CYS CA C 13 58.883 58.011 0.872 1
1 81 . 14 1 1 A 13 13 CYS CB C 13 29.920 29.739 0.181 1
1 82 . 14 1 1 A 13 13 CYS N N 13 123.945 118.283 5.662 1
1 83 . 14 1 1 A 14 14 ASN H H 14 9.374 8.848 0.526 1
1 84 . 14 1 1 A 14 14 ASN HA H 14 4.550 4.987 -0.437 1
1 89 . 14 1 1 A 14 14 ASN C C 14 175.484 177.103 -1.619 1
1 90 . 14 1 1 A 14 14 ASN CA C 14 55.420 54.243 1.177 1
1 91 . 14 1 1 A 14 14 ASN CB C 14 38.238 39.938 -1.700 1
1 92 . 14 1 1 A 14 14 ASN N N 14 129.983 122.832 7.151 1
1 94 . 14 1 1 A 15 15 GLU H H 15 8.645 8.189 0.456 1
1 95 . 14 1 1 A 15 15 GLU HA H 15 4.212 3.893 0.319 1
1 100 . 14 1 1 A 15 15 GLU C C 15 177.052 178.078 -1.026 1
1 101 . 14 1 1 A 15 15 GLU CA C 15 58.326 58.959 -0.633 1
1 102 . 14 1 1 A 15 15 GLU CB C 15 29.466 28.967 0.499 1
1 104 . 14 1 1 A 15 15 GLU N N 15 120.926 119.299 1.627 1
1 105 . 14 1 1 A 16 16 CYS H H 16 7.846 7.838 0.008 1
1 106 . 14 1 1 A 16 16 CYS HA H 16 5.144 4.644 0.500 1
1 109 . 14 1 1 A 16 16 CYS C C 16 176.147 175.456 0.691 1
1 110 . 14 1 1 A 16 16 CYS CA C 16 58.213 59.653 -1.440 1
1 111 . 14 1 1 A 16 16 CYS CB C 16 32.251 30.031 2.220 1
1 112 . 14 1 1 A 16 16 CYS N N 16 114.327 114.613 -0.286 1
1 113 . 14 1 1 A 17 17 GLY H H 17 8.188 8.202 -0.014 1
1 114 . 14 1 1 A 17 17 GLY HA2 H 17 3.875 4.043 -0.168 1
1 115 . 14 1 1 A 17 17 GLY HA3 H 17 4.202 4.056 0.146 1
1 116 . 14 1 1 A 17 17 GLY C C 17 174.225 174.421 -0.196 1
1 117 . 14 1 1 A 17 17 GLY CA C 17 46.360 45.331 1.029 1
1 118 . 14 1 1 A 17 17 GLY N N 17 113.009 110.270 2.739 1
1 119 . 14 1 1 A 18 18 LYS H H 18 7.801 7.896 -0.095 1
1 120 . 14 1 1 A 18 18 LYS HA H 18 4.087 4.483 -0.396 1
1 129 . 14 1 1 A 18 18 LYS C C 18 173.597 174.941 -1.344 1
1 130 . 14 1 1 A 18 18 LYS CA C 18 57.553 55.245 2.308 1
1 131 . 14 1 1 A 18 18 LYS CB C 18 34.123 33.845 0.278 1
1 135 . 14 1 1 A 18 18 LYS N N 18 122.310 121.149 1.161 1
1 136 . 14 1 1 A 19 19 ASP H H 19 7.782 8.044 -0.262 1
1 137 . 14 1 1 A 19 19 ASP HA H 19 5.140 5.437 -0.297 1
1 140 . 14 1 1 A 19 19 ASP C C 19 174.660 174.451 0.209 1
1 141 . 14 1 1 A 19 19 ASP CA C 19 52.887 52.453 0.434 1
1 142 . 14 1 1 A 19 19 ASP CB C 19 43.759 44.557 -0.798 1
1 143 . 14 1 1 A 19 19 ASP N N 19 118.910 123.208 -4.298 1
1 144 . 14 1 1 A 20 20 PHE H H 20 8.207 8.868 -0.661 1
1 145 . 14 1 1 A 20 20 PHE HA H 20 4.735 4.967 -0.232 1
1 153 . 14 1 1 A 20 20 PHE C C 20 175.997 175.721 0.276 1
1 154 . 14 1 1 A 20 20 PHE CA C 20 57.637 57.147 0.490 1
1 155 . 14 1 1 A 20 20 PHE CB C 20 43.683 43.696 -0.013 1
1 161 . 14 1 1 A 20 20 PHE N N 20 116.189 121.241 -5.052 1
1 162 . 14 1 1 A 21 21 SER H H 21 9.247 8.976 0.271 1
1 163 . 14 1 1 A 21 21 SER HA H 21 4.557 4.687 -0.130 1
1 166 . 14 1 1 A 21 21 SER C C 21 173.988 174.655 -0.667 1
1 167 . 14 1 1 A 21 21 SER CA C 21 59.854 60.444 -0.590 1
1 168 . 14 1 1 A 21 21 SER CB C 21 63.994 64.375 -0.381 1
1 169 . 14 1 1 A 21 21 SER N N 21 114.221 116.631 -2.410 1
1 170 . 14 1 1 A 22 22 SER H H 22 7.490 8.137 -0.647 1
1 171 . 14 1 1 A 22 22 SER HA H 22 4.473 4.822 -0.349 1
1 174 . 14 1 1 A 22 22 SER C C 22 173.228 174.437 -1.209 1
1 175 . 14 1 1 A 22 22 SER CA C 22 56.284 56.603 -0.319 1
1 176 . 14 1 1 A 22 22 SER CB C 22 66.196 64.913 1.283 1
1 177 . 14 1 1 A 22 22 SER N N 22 113.081 115.454 -2.373 1
1 178 . 14 1 1 A 23 23 LYS H H 23 8.298 8.813 -0.515 1
1 179 . 14 1 1 A 23 23 LYS HA H 23 3.376 2.874 0.502 1
1 188 . 14 1 1 A 23 23 LYS C C 23 177.950 177.855 0.095 1
1 189 . 14 1 1 A 23 23 LYS CA C 23 58.783 59.472 -0.689 1
1 190 . 14 1 1 A 23 23 LYS CB C 23 31.851 31.519 0.332 1
1 194 . 14 1 1 A 23 23 LYS N N 23 124.483 127.091 -2.608 1
1 195 . 14 1 1 A 24 24 SER H H 24 8.124 7.907 0.217 1
1 196 . 14 1 1 A 24 24 SER HA H 24 3.971 3.988 -0.017 1
1 199 . 14 1 1 A 24 24 SER C C 24 176.849 176.376 0.473 1
1 200 . 14 1 1 A 24 24 SER CA C 24 61.969 62.199 -0.230 1
1 201 . 14 1 1 A 24 24 SER CB C 24 61.969 62.469 -0.500 1
1 202 . 14 1 1 A 24 24 SER N N 24 113.002 116.761 -3.759 1
1 203 . 14 1 1 A 25 25 TYR H H 25 7.305 8.102 -0.797 1
1 204 . 14 1 1 A 25 25 TYR HA H 25 4.325 4.276 0.049 1
1 211 . 14 1 1 A 25 25 TYR C C 25 178.583 177.835 0.748 1
1 212 . 14 1 1 A 25 25 TYR CA C 25 59.396 60.584 -1.188 1
1 213 . 14 1 1 A 25 25 TYR CB C 25 37.560 38.519 -0.959 1
1 218 . 14 1 1 A 25 25 TYR N N 25 119.444 120.222 -0.778 1
1 219 . 14 1 1 A 26 26 LEU H H 26 7.358 7.314 0.044 1
1 220 . 14 1 1 A 26 26 LEU HA H 26 3.339 2.798 0.541 1
1 230 . 14 1 1 A 26 26 LEU C C 26 177.371 178.431 -1.060 1
1 231 . 14 1 1 A 26 26 LEU CA C 26 58.191 57.865 0.326 1
1 232 . 14 1 1 A 26 26 LEU CB C 26 40.695 41.381 -0.686 1
1 236 . 14 1 1 A 26 26 LEU N N 26 122.536 120.832 1.704 1
1 237 . 14 1 1 A 27 27 ILE H H 27 8.225 7.807 0.418 1
1 238 . 14 1 1 A 27 27 ILE HA H 27 3.778 3.596 0.182 1
1 248 . 14 1 1 A 27 27 ILE C C 27 179.086 178.608 0.478 1
1 249 . 14 1 1 A 27 27 ILE CA C 27 64.790 65.196 -0.406 1
1 250 . 14 1 1 A 27 27 ILE CB C 27 37.725 37.710 0.015 1
1 254 . 14 1 1 A 27 27 ILE N N 27 119.370 119.774 -0.404 1
1 255 . 14 1 1 A 28 28 VAL H H 28 7.394 8.075 -0.681 1
1 256 . 14 1 1 A 28 28 VAL HA H 28 3.507 3.558 -0.051 1
1 264 . 14 1 1 A 28 28 VAL C C 28 178.897 178.179 0.718 1
1 265 . 14 1 1 A 28 28 VAL CA C 28 66.606 66.176 0.430 1
1 266 . 14 1 1 A 28 28 VAL CB C 28 31.929 31.688 0.241 1
1 269 . 14 1 1 A 28 28 VAL N N 28 118.982 120.871 -1.889 1
1 270 . 14 1 1 A 29 29 HIS H H 29 7.587 7.980 -0.393 1
1 271 . 14 1 1 A 29 29 HIS HA H 29 4.134 4.243 -0.109 1
1 276 . 14 1 1 A 29 29 HIS C C 29 176.397 177.241 -0.844 1
1 277 . 14 1 1 A 29 29 HIS CA C 29 59.312 59.683 -0.371 1
1 278 . 14 1 1 A 29 29 HIS CB C 29 27.959 29.833 -1.874 1
1 281 . 14 1 1 A 29 29 HIS N N 29 119.908 119.666 0.242 1
1 282 . 14 1 1 A 30 30 GLN H H 30 8.502 8.626 -0.124 1
1 283 . 14 1 1 A 30 30 GLN HA H 30 3.615 3.985 -0.370 1
1 290 . 14 1 1 A 30 30 GLN C C 30 177.427 178.674 -1.247 1
1 291 . 14 1 1 A 30 30 GLN CA C 30 59.579 59.019 0.560 1
1 292 . 14 1 1 A 30 30 GLN CB C 30 28.227 28.424 -0.197 1
1 294 . 14 1 1 A 30 30 GLN N N 30 115.041 117.439 -2.398 1
1 296 . 14 1 1 A 31 31 ARG H H 31 7.242 7.914 -0.672 1
1 297 . 14 1 1 A 31 31 ARG HA H 31 4.142 4.386 -0.244 1
1 304 . 14 1 1 A 31 31 ARG C C 31 178.802 179.273 -0.471 1
1 305 . 14 1 1 A 31 31 ARG CA C 31 58.548 59.099 -0.551 1
1 306 . 14 1 1 A 31 31 ARG CB C 31 30.083 29.839 0.244 1
1 309 . 14 1 1 A 31 31 ARG N N 31 118.327 119.880 -1.553 1
1 310 . 14 1 1 A 32 32 ILE H H 32 7.871 8.222 -0.351 1
1 311 . 14 1 1 A 32 32 ILE HA H 32 3.947 3.806 0.141 1
1 321 . 14 1 1 A 32 32 ILE C C 32 177.496 176.515 0.981 1
1 322 . 14 1 1 A 32 32 ILE CA C 32 63.124 63.114 0.010 1
1 323 . 14 1 1 A 32 32 ILE CB C 32 37.609 37.228 0.381 1
1 327 . 14 1 1 A 32 32 ILE N N 32 116.287 117.359 -1.072 1
1 328 . 14 1 1 A 33 33 HIS H H 33 7.158 7.530 -0.372 1
1 329 . 14 1 1 A 33 33 HIS HA H 33 4.846 4.736 0.110 1
1 334 . 14 1 1 A 33 33 HIS C C 33 176.000 174.067 1.933 1
1 335 . 14 1 1 A 33 33 HIS CA C 33 55.125 55.422 -0.297 1
1 336 . 14 1 1 A 33 33 HIS CB C 33 28.536 29.758 -1.222 1
1 339 . 14 1 1 A 33 33 HIS N N 33 117.660 119.848 -2.188 1
1 340 . 14 1 1 A 34 34 THR H H 34 7.811 8.036 -0.225 1
1 341 . 14 1 1 A 34 34 THR HA H 34 4.320 4.825 -0.505 1
1 346 . 14 1 1 A 34 34 THR C C 34 175.641 173.669 1.972 1
1 347 . 14 1 1 A 34 34 THR CA C 34 62.869 60.027 2.842 1
1 348 . 14 1 1 A 34 34 THR CB C 34 69.771 71.625 -1.854 1
1 350 . 14 1 1 A 34 34 THR N N 34 112.089 110.107 1.982 1
1 351 . 14 1 1 A 35 35 GLY H H 35 8.210 8.456 -0.246 1
1 352 . 14 1 1 A 35 35 GLY HA2 H 35 4.019 3.949 0.070 1
1 353 . 14 1 1 A 35 35 GLY HA3 H 35 3.944 3.955 -0.011 1
1 354 . 14 1 1 A 35 35 GLY C C 35 174.359 174.912 -0.553 1
1 355 . 14 1 1 A 35 35 GLY CA C 35 45.494 45.366 0.128 1
1 356 . 14 1 1 A 35 35 GLY N N 35 110.437 111.323 -0.886 1
1 357 . 14 1 1 A 36 36 GLU H H 36 8.085 8.114 -0.029 1
1 358 . 14 1 1 A 36 36 GLU HA H 36 4.214 4.105 0.109 1
1 363 . 14 1 1 A 36 36 GLU C C 36 176.485 177.092 -0.607 1
1 364 . 14 1 1 A 36 36 GLU CA C 36 56.691 59.193 -2.502 1
1 365 . 14 1 1 A 36 36 GLU CB C 36 30.455 29.694 0.761 1
1 367 . 14 1 1 A 36 36 GLU N N 36 120.789 121.815 -1.026 1
1 368 . 14 1 1 A 37 37 LYS H H 37 8.316 7.672 0.644 1
1 369 . 14 1 1 A 37 37 LYS HA H 37 4.313 4.221 0.092 1
1 378 . 14 1 1 A 37 37 LYS C C 37 176.554 175.777 0.777 1
1 379 . 14 1 1 A 37 37 LYS CA C 37 56.270 56.356 -0.086 1
1 380 . 14 1 1 A 37 37 LYS CB C 37 32.830 32.965 -0.135 1
1 384 . 14 1 1 A 37 37 LYS N N 37 122.204 119.407 2.797 1
1 385 . 14 1 1 A 38 38 LEU H H 38 8.295 8.972 -0.677 1
1 386 . 14 1 1 A 38 38 LEU HA H 38 4.390 4.645 -0.255 1
1 396 . 14 1 1 A 38 38 LEU C C 38 177.408 174.729 2.679 1
1 397 . 14 1 1 A 38 38 LEU CA C 38 55.081 53.583 1.498 1
1 398 . 14 1 1 A 38 38 LEU CB C 38 42.248 41.291 0.957 1
1 402 . 14 1 1 A 38 38 LEU N N 38 123.561 127.783 -4.222 1
1 403 . 14 1 1 A 39 39 SER H H 39 8.293 8.717 -0.424 1
1 404 . 14 1 1 A 39 39 SER HA H 39 4.487 4.833 -0.346 1
1 407 . 14 1 1 A 39 39 SER C C 39 174.479 174.841 -0.362 1
1 408 . 14 1 1 A 39 39 SER CA C 39 58.221 57.356 0.865 1
1 409 . 14 1 1 A 39 39 SER CB C 39 63.918 64.787 -0.869 1
1 410 . 14 1 1 A 39 39 SER N N 39 116.483 119.822 -3.339 1
1 411 . 14 1 1 A 40 40 GLY H H 40 8.210 8.702 -0.492 1
1 412 . 14 1 1 A 40 40 GLY HA2 H 40 4.163 3.910 0.253 1
1 413 . 14 1 1 A 40 40 GLY HA3 H 40 4.097 3.910 0.187 1
1 414 . 14 1 1 A 40 40 GLY C C 40 171.732 174.620 -2.888 1
1 415 . 14 1 1 A 40 40 GLY CA C 40 44.672 46.734 -2.062 1
1 416 . 14 1 1 A 40 40 GLY N N 40 110.630 113.820 -3.190 1
1 417 . 14 1 1 A 41 41 PRO HA H 41 4.476 4.722 -0.246 1
1 424 . 14 1 1 A 41 41 PRO C C 41 177.357 176.102 1.255 1
1 425 . 14 1 1 A 41 41 PRO CA C 41 63.215 62.761 0.454 1
1 426 . 14 1 1 A 41 41 PRO CB C 41 32.212 32.705 -0.493 1
1 429 . 14 1 1 A 42 42 SER H H 42 8.535 8.456 0.079 1
1 430 . 14 1 1 A 42 42 SER HA H 42 4.470 5.134 -0.664 1
1 433 . 14 1 1 A 42 42 SER C C 42 174.589 172.538 2.051 1
1 434 . 14 1 1 A 42 42 SER CA C 42 58.435 57.887 0.548 1
1 435 . 14 1 1 A 42 42 SER CB C 42 63.984 65.597 -1.613 1
1 436 . 14 1 1 A 42 42 SER N N 42 116.375 114.514 1.861 1
1 437 . 14 1 1 A 43 43 SER H H 43 8.303 9.019 -0.716 1
1 438 . 14 1 1 A 43 43 SER HA H 43 4.457 5.208 -0.751 1
1 441 . 14 1 1 A 43 43 SER C C 43 173.896 174.304 -0.408 1
1 442 . 14 1 1 A 43 43 SER CA C 43 58.281 57.164 1.117 1
1 443 . 14 1 1 A 43 43 SER CB C 43 64.036 65.753 -1.717 1
1 444 . 14 1 1 A 43 43 SER N N 43 117.817 121.760 -3.943 1
1 1 . 15 1 1 A 6 6 SER HA H 6 4.443 4.705 -0.262 1
1 4 . 15 1 1 A 6 6 SER C C 6 174.977 176.171 -1.194 1
1 5 . 15 1 1 A 6 6 SER CA C 6 58.518 59.232 -0.714 1
1 6 . 15 1 1 A 6 6 SER CB C 6 63.628 65.585 -1.957 1
1 7 . 15 1 1 A 7 7 GLY H H 7 8.375 7.788 0.587 1
1 8 . 15 1 1 A 7 7 GLY HA2 H 7 3.943 3.999 -0.056 1
1 9 . 15 1 1 A 7 7 GLY HA3 H 7 3.943 4.007 -0.064 1
1 10 . 15 1 1 A 7 7 GLY C C 7 174.013 174.200 -0.187 1
1 11 . 15 1 1 A 7 7 GLY CA C 7 45.265 45.694 -0.429 1
1 12 . 15 1 1 A 7 7 GLY N N 7 110.641 108.669 1.972 1
1 13 . 15 1 1 A 8 8 GLU H H 8 8.221 7.830 0.391 1
1 14 . 15 1 1 A 8 8 GLU HA H 8 4.211 4.449 -0.238 1
1 19 . 15 1 1 A 8 8 GLU C C 8 176.367 175.939 0.428 1
1 20 . 15 1 1 A 8 8 GLU CA C 8 56.659 55.093 1.566 1
1 21 . 15 1 1 A 8 8 GLU CB C 8 30.440 30.605 -0.165 1
1 23 . 15 1 1 A 8 8 GLU N N 8 120.286 120.722 -0.436 1
1 24 . 15 1 1 A 9 9 LYS H H 9 8.366 8.896 -0.530 1
1 25 . 15 1 1 A 9 9 LYS HA H 9 4.523 4.278 0.245 1
1 34 . 15 1 1 A 9 9 LYS C C 9 174.265 176.639 -2.374 1
1 35 . 15 1 1 A 9 9 LYS CA C 9 53.760 56.903 -3.143 1
1 36 . 15 1 1 A 9 9 LYS CB C 9 32.697 30.293 2.404 1
1 40 . 15 1 1 A 9 9 LYS N N 9 122.243 125.571 -3.328 1
1 41 . 15 1 1 A 10 10 PRO HA H 10 4.279 4.441 -0.162 1
1 48 . 15 1 1 A 10 10 PRO C C 10 176.457 175.674 0.783 1
1 49 . 15 1 1 A 10 10 PRO CA C 10 63.415 64.735 -1.320 1
1 50 . 15 1 1 A 10 10 PRO CB C 10 32.074 31.481 0.593 1
1 53 . 15 1 1 A 11 11 TYR H H 11 8.273 7.079 1.194 1
1 54 . 15 1 1 A 11 11 TYR HA H 11 4.715 5.035 -0.320 1
1 61 . 15 1 1 A 11 11 TYR C C 11 174.995 175.945 -0.950 1
1 62 . 15 1 1 A 11 11 TYR CA C 11 56.584 56.315 0.269 1
1 63 . 15 1 1 A 11 11 TYR CB C 11 38.169 41.225 -3.056 1
1 68 . 15 1 1 A 11 11 TYR N N 11 118.862 118.982 -0.120 1
1 69 . 15 1 1 A 12 12 GLY H H 12 8.221 8.793 -0.572 1
1 70 . 15 1 1 A 12 12 GLY HA2 H 12 3.613 4.386 -0.773 1
1 71 . 15 1 1 A 12 12 GLY HA3 H 12 4.865 4.496 0.369 1
1 72 . 15 1 1 A 12 12 GLY C C 12 173.074 172.077 0.997 1
1 73 . 15 1 1 A 12 12 GLY CA C 12 44.870 45.772 -0.902 1
1 74 . 15 1 1 A 12 12 GLY N N 12 110.093 109.332 0.761 1
1 75 . 15 1 1 A 13 13 CYS H H 13 9.115 8.978 0.137 1
1 76 . 15 1 1 A 13 13 CYS HA H 13 4.665 4.856 -0.191 1
1 79 . 15 1 1 A 13 13 CYS C C 13 177.041 175.908 1.133 1
1 80 . 15 1 1 A 13 13 CYS CA C 13 58.883 58.123 0.760 1
1 81 . 15 1 1 A 13 13 CYS CB C 13 29.920 29.405 0.515 1
1 82 . 15 1 1 A 13 13 CYS N N 13 123.945 118.886 5.059 1
1 83 . 15 1 1 A 14 14 ASN H H 14 9.374 9.138 0.236 1
1 84 . 15 1 1 A 14 14 ASN HA H 14 4.550 4.416 0.134 1
1 89 . 15 1 1 A 14 14 ASN C C 14 175.484 177.317 -1.833 1
1 90 . 15 1 1 A 14 14 ASN CA C 14 55.420 56.240 -0.820 1
1 91 . 15 1 1 A 14 14 ASN CB C 14 38.238 38.476 -0.238 1
1 92 . 15 1 1 A 14 14 ASN N N 14 129.983 127.717 2.266 1
1 94 . 15 1 1 A 15 15 GLU H H 15 8.645 8.394 0.251 1
1 95 . 15 1 1 A 15 15 GLU HA H 15 4.212 3.967 0.245 1
1 100 . 15 1 1 A 15 15 GLU C C 15 177.052 178.008 -0.956 1
1 101 . 15 1 1 A 15 15 GLU CA C 15 58.326 59.281 -0.955 1
1 102 . 15 1 1 A 15 15 GLU CB C 15 29.466 29.100 0.366 1
1 104 . 15 1 1 A 15 15 GLU N N 15 120.926 118.701 2.225 1
1 105 . 15 1 1 A 16 16 CYS H H 16 7.846 7.805 0.041 1
1 106 . 15 1 1 A 16 16 CYS HA H 16 5.144 4.578 0.566 1
1 109 . 15 1 1 A 16 16 CYS C C 16 176.147 175.232 0.915 1
1 110 . 15 1 1 A 16 16 CYS CA C 16 58.213 59.604 -1.391 1
1 111 . 15 1 1 A 16 16 CYS CB C 16 32.251 29.716 2.535 1
1 112 . 15 1 1 A 16 16 CYS N N 16 114.327 114.709 -0.382 1
1 113 . 15 1 1 A 17 17 GLY H H 17 8.188 7.950 0.238 1
1 114 . 15 1 1 A 17 17 GLY HA2 H 17 3.875 4.056 -0.181 1
1 115 . 15 1 1 A 17 17 GLY HA3 H 17 4.202 4.064 0.138 1
1 116 . 15 1 1 A 17 17 GLY C C 17 174.225 174.577 -0.352 1
1 117 . 15 1 1 A 17 17 GLY CA C 17 46.360 45.047 1.313 1
1 118 . 15 1 1 A 17 17 GLY N N 17 113.009 109.811 3.198 1
1 119 . 15 1 1 A 18 18 LYS H H 18 7.801 7.462 0.339 1
1 120 . 15 1 1 A 18 18 LYS HA H 18 4.087 4.225 -0.138 1
1 129 . 15 1 1 A 18 18 LYS C C 18 173.597 175.285 -1.688 1
1 130 . 15 1 1 A 18 18 LYS CA C 18 57.553 55.819 1.734 1
1 131 . 15 1 1 A 18 18 LYS CB C 18 34.123 33.534 0.589 1
1 135 . 15 1 1 A 18 18 LYS N N 18 122.310 122.036 0.274 1
1 136 . 15 1 1 A 19 19 ASP H H 19 7.782 8.126 -0.344 1
1 137 . 15 1 1 A 19 19 ASP HA H 19 5.140 5.362 -0.222 1
1 140 . 15 1 1 A 19 19 ASP C C 19 174.660 174.263 0.397 1
1 141 . 15 1 1 A 19 19 ASP CA C 19 52.887 52.387 0.500 1
1 142 . 15 1 1 A 19 19 ASP CB C 19 43.759 44.805 -1.046 1
1 143 . 15 1 1 A 19 19 ASP N N 19 118.910 122.404 -3.494 1
1 144 . 15 1 1 A 20 20 PHE H H 20 8.207 8.868 -0.661 1
1 145 . 15 1 1 A 20 20 PHE HA H 20 4.735 5.009 -0.274 1
1 153 . 15 1 1 A 20 20 PHE C C 20 175.997 175.719 0.278 1
1 154 . 15 1 1 A 20 20 PHE CA C 20 57.637 56.758 0.879 1
1 155 . 15 1 1 A 20 20 PHE CB C 20 43.683 44.076 -0.393 1
1 161 . 15 1 1 A 20 20 PHE N N 20 116.189 121.448 -5.259 1
1 162 . 15 1 1 A 21 21 SER H H 21 9.247 9.161 0.086 1
1 163 . 15 1 1 A 21 21 SER HA H 21 4.557 4.665 -0.108 1
1 166 . 15 1 1 A 21 21 SER C C 21 173.988 173.975 0.013 1
1 167 . 15 1 1 A 21 21 SER CA C 21 59.854 60.180 -0.326 1
1 168 . 15 1 1 A 21 21 SER CB C 21 63.994 64.874 -0.880 1
1 169 . 15 1 1 A 21 21 SER N N 21 114.221 117.941 -3.720 1
1 170 . 15 1 1 A 22 22 SER H H 22 7.490 8.213 -0.723 1
1 171 . 15 1 1 A 22 22 SER HA H 22 4.473 4.701 -0.228 1
1 174 . 15 1 1 A 22 22 SER C C 22 173.228 174.196 -0.968 1
1 175 . 15 1 1 A 22 22 SER CA C 22 56.284 56.493 -0.209 1
1 176 . 15 1 1 A 22 22 SER CB C 22 66.196 64.940 1.256 1
1 177 . 15 1 1 A 22 22 SER N N 22 113.081 115.843 -2.762 1
1 178 . 15 1 1 A 23 23 LYS H H 23 8.298 8.659 -0.361 1
1 179 . 15 1 1 A 23 23 LYS HA H 23 3.376 2.891 0.485 1
1 188 . 15 1 1 A 23 23 LYS C C 23 177.950 177.856 0.094 1
1 189 . 15 1 1 A 23 23 LYS CA C 23 58.783 59.132 -0.349 1
1 190 . 15 1 1 A 23 23 LYS CB C 23 31.851 31.591 0.260 1
1 194 . 15 1 1 A 23 23 LYS N N 23 124.483 126.809 -2.326 1
1 195 . 15 1 1 A 24 24 SER H H 24 8.124 7.788 0.336 1
1 196 . 15 1 1 A 24 24 SER HA H 24 3.971 3.971 0.000 1
1 199 . 15 1 1 A 24 24 SER C C 24 176.849 176.288 0.561 1
1 200 . 15 1 1 A 24 24 SER CA C 24 61.969 62.162 -0.193 1
1 201 . 15 1 1 A 24 24 SER CB C 24 61.969 62.456 -0.487 1
1 202 . 15 1 1 A 24 24 SER N N 24 113.002 116.825 -3.823 1
1 203 . 15 1 1 A 25 25 TYR H H 25 7.305 7.914 -0.609 1
1 204 . 15 1 1 A 25 25 TYR HA H 25 4.325 4.174 0.151 1
1 211 . 15 1 1 A 25 25 TYR C C 25 178.583 177.614 0.969 1
1 212 . 15 1 1 A 25 25 TYR CA C 25 59.396 60.763 -1.367 1
1 213 . 15 1 1 A 25 25 TYR CB C 25 37.560 38.473 -0.913 1
1 218 . 15 1 1 A 25 25 TYR N N 25 119.444 120.168 -0.724 1
1 219 . 15 1 1 A 26 26 LEU H H 26 7.358 7.217 0.141 1
1 220 . 15 1 1 A 26 26 LEU HA H 26 3.339 2.863 0.476 1
1 230 . 15 1 1 A 26 26 LEU C C 26 177.371 178.496 -1.125 1
1 231 . 15 1 1 A 26 26 LEU CA C 26 58.191 57.884 0.307 1
1 232 . 15 1 1 A 26 26 LEU CB C 26 40.695 41.607 -0.912 1
1 236 . 15 1 1 A 26 26 LEU N N 26 122.536 120.803 1.733 1
1 237 . 15 1 1 A 27 27 ILE H H 27 8.225 7.839 0.386 1
1 238 . 15 1 1 A 27 27 ILE HA H 27 3.778 3.586 0.192 1
1 248 . 15 1 1 A 27 27 ILE C C 27 179.086 178.547 0.539 1
1 249 . 15 1 1 A 27 27 ILE CA C 27 64.790 65.231 -0.441 1
1 250 . 15 1 1 A 27 27 ILE CB C 27 37.725 37.722 0.003 1
1 254 . 15 1 1 A 27 27 ILE N N 27 119.370 119.746 -0.376 1
1 255 . 15 1 1 A 28 28 VAL H H 28 7.394 8.162 -0.768 1
1 256 . 15 1 1 A 28 28 VAL HA H 28 3.507 3.519 -0.012 1
1 264 . 15 1 1 A 28 28 VAL C C 28 178.897 178.172 0.725 1
1 265 . 15 1 1 A 28 28 VAL CA C 28 66.606 66.265 0.341 1
1 266 . 15 1 1 A 28 28 VAL CB C 28 31.929 31.570 0.359 1
1 269 . 15 1 1 A 28 28 VAL N N 28 118.982 120.425 -1.443 1
1 270 . 15 1 1 A 29 29 HIS H H 29 7.587 7.999 -0.412 1
1 271 . 15 1 1 A 29 29 HIS HA H 29 4.134 4.201 -0.067 1
1 276 . 15 1 1 A 29 29 HIS C C 29 176.397 177.235 -0.838 1
1 277 . 15 1 1 A 29 29 HIS CA C 29 59.312 59.784 -0.472 1
1 278 . 15 1 1 A 29 29 HIS CB C 29 27.959 29.725 -1.766 1
1 281 . 15 1 1 A 29 29 HIS N N 29 119.908 119.293 0.615 1
1 282 . 15 1 1 A 30 30 GLN H H 30 8.502 8.644 -0.142 1
1 283 . 15 1 1 A 30 30 GLN HA H 30 3.615 4.050 -0.435 1
1 290 . 15 1 1 A 30 30 GLN C C 30 177.427 178.697 -1.270 1
1 291 . 15 1 1 A 30 30 GLN CA C 30 59.579 59.085 0.494 1
1 292 . 15 1 1 A 30 30 GLN CB C 30 28.227 28.320 -0.093 1
1 294 . 15 1 1 A 30 30 GLN N N 30 115.041 117.472 -2.431 1
1 296 . 15 1 1 A 31 31 ARG H H 31 7.242 7.890 -0.648 1
1 297 . 15 1 1 A 31 31 ARG HA H 31 4.142 4.420 -0.278 1
1 304 . 15 1 1 A 31 31 ARG C C 31 178.802 179.186 -0.384 1
1 305 . 15 1 1 A 31 31 ARG CA C 31 58.548 59.088 -0.540 1
1 306 . 15 1 1 A 31 31 ARG CB C 31 30.083 29.896 0.187 1
1 309 . 15 1 1 A 31 31 ARG N N 31 118.327 119.703 -1.376 1
1 310 . 15 1 1 A 32 32 ILE H H 32 7.871 8.011 -0.140 1
1 311 . 15 1 1 A 32 32 ILE HA H 32 3.947 3.759 0.188 1
1 321 . 15 1 1 A 32 32 ILE C C 32 177.496 176.848 0.648 1
1 322 . 15 1 1 A 32 32 ILE CA C 32 63.124 62.958 0.166 1
1 323 . 15 1 1 A 32 32 ILE CB C 32 37.609 37.308 0.301 1
1 327 . 15 1 1 A 32 32 ILE N N 32 116.287 117.130 -0.843 1
1 328 . 15 1 1 A 33 33 HIS H H 33 7.158 7.695 -0.537 1
1 329 . 15 1 1 A 33 33 HIS HA H 33 4.846 4.575 0.271 1
1 334 . 15 1 1 A 33 33 HIS C C 33 176.000 175.290 0.710 1
1 335 . 15 1 1 A 33 33 HIS CA C 33 55.125 57.219 -2.094 1
1 336 . 15 1 1 A 33 33 HIS CB C 33 28.536 31.353 -2.817 1
1 339 . 15 1 1 A 33 33 HIS N N 33 117.660 119.012 -1.352 1
1 340 . 15 1 1 A 34 34 THR H H 34 7.811 7.857 -0.046 1
1 341 . 15 1 1 A 34 34 THR HA H 34 4.320 4.236 0.084 1
1 346 . 15 1 1 A 34 34 THR C C 34 175.641 175.207 0.434 1
1 347 . 15 1 1 A 34 34 THR CA C 34 62.869 62.498 0.371 1
1 348 . 15 1 1 A 34 34 THR CB C 34 69.771 69.547 0.224 1
1 350 . 15 1 1 A 34 34 THR N N 34 112.089 111.292 0.797 1
1 351 . 15 1 1 A 35 35 GLY H H 35 8.210 8.841 -0.631 1
1 352 . 15 1 1 A 35 35 GLY HA2 H 35 4.019 3.957 0.062 1
1 353 . 15 1 1 A 35 35 GLY HA3 H 35 3.944 3.962 -0.018 1
1 354 . 15 1 1 A 35 35 GLY C C 35 174.359 173.984 0.375 1
1 355 . 15 1 1 A 35 35 GLY CA C 35 45.494 46.365 -0.871 1
1 356 . 15 1 1 A 35 35 GLY N N 35 110.437 112.993 -2.556 1
1 357 . 15 1 1 A 36 36 GLU H H 36 8.085 8.014 0.071 1
1 358 . 15 1 1 A 36 36 GLU HA H 36 4.214 4.849 -0.635 1
1 363 . 15 1 1 A 36 36 GLU C C 36 176.485 175.306 1.179 1
1 364 . 15 1 1 A 36 36 GLU CA C 36 56.691 54.386 2.305 1
1 365 . 15 1 1 A 36 36 GLU CB C 36 30.455 33.636 -3.181 1
1 367 . 15 1 1 A 36 36 GLU N N 36 120.789 119.115 1.674 1
1 368 . 15 1 1 A 37 37 LYS H H 37 8.316 8.543 -0.227 1
1 369 . 15 1 1 A 37 37 LYS HA H 37 4.313 4.727 -0.414 1
1 378 . 15 1 1 A 37 37 LYS C C 37 176.554 176.367 0.187 1
1 379 . 15 1 1 A 37 37 LYS CA C 37 56.270 55.574 0.696 1
1 380 . 15 1 1 A 37 37 LYS CB C 37 32.830 34.041 -1.211 1
1 384 . 15 1 1 A 37 37 LYS N N 37 122.204 120.454 1.750 1
1 385 . 15 1 1 A 38 38 LEU H H 38 8.295 8.403 -0.108 1
1 386 . 15 1 1 A 38 38 LEU HA H 38 4.390 4.314 0.076 1
1 396 . 15 1 1 A 38 38 LEU C C 38 177.408 176.517 0.891 1
1 397 . 15 1 1 A 38 38 LEU CA C 38 55.081 55.065 0.016 1
1 398 . 15 1 1 A 38 38 LEU CB C 38 42.248 42.331 -0.083 1
1 402 . 15 1 1 A 38 38 LEU N N 38 123.561 122.654 0.907 1
1 403 . 15 1 1 A 39 39 SER H H 39 8.293 8.702 -0.409 1
1 404 . 15 1 1 A 39 39 SER HA H 39 4.487 5.322 -0.835 1
1 407 . 15 1 1 A 39 39 SER C C 39 174.479 173.737 0.742 1
1 408 . 15 1 1 A 39 39 SER CA C 39 58.221 56.491 1.730 1
1 409 . 15 1 1 A 39 39 SER CB C 39 63.918 65.881 -1.963 1
1 410 . 15 1 1 A 39 39 SER N N 39 116.483 116.964 -0.481 1
1 411 . 15 1 1 A 40 40 GLY H H 40 8.210 8.289 -0.079 1
1 412 . 15 1 1 A 40 40 GLY HA2 H 40 4.163 3.966 0.197 1
1 413 . 15 1 1 A 40 40 GLY HA3 H 40 4.097 3.966 0.131 1
1 414 . 15 1 1 A 40 40 GLY C C 40 171.732 174.803 -3.071 1
1 415 . 15 1 1 A 40 40 GLY CA C 40 44.672 45.500 -0.828 1
1 416 . 15 1 1 A 40 40 GLY N N 40 110.630 111.770 -1.140 1
1 417 . 15 1 1 A 41 41 PRO HA H 41 4.476 4.500 -0.024 1
1 424 . 15 1 1 A 41 41 PRO C C 41 177.357 176.040 1.317 1
1 425 . 15 1 1 A 41 41 PRO CA C 41 63.215 63.898 -0.683 1
1 426 . 15 1 1 A 41 41 PRO CB C 41 32.212 31.829 0.383 1
1 429 . 15 1 1 A 42 42 SER H H 42 8.535 7.890 0.645 1
1 430 . 15 1 1 A 42 42 SER HA H 42 4.470 4.462 0.008 1
1 433 . 15 1 1 A 42 42 SER C C 42 174.589 174.690 -0.101 1
1 434 . 15 1 1 A 42 42 SER CA C 42 58.435 58.063 0.372 1
1 435 . 15 1 1 A 42 42 SER CB C 42 63.984 64.080 -0.096 1
1 436 . 15 1 1 A 42 42 SER N N 42 116.375 115.212 1.163 1
1 437 . 15 1 1 A 43 43 SER H H 43 8.303 9.160 -0.857 1
1 438 . 15 1 1 A 43 43 SER HA H 43 4.457 4.066 0.391 1
1 441 . 15 1 1 A 43 43 SER C C 43 173.896 173.352 0.544 1
1 442 . 15 1 1 A 43 43 SER CA C 43 58.281 59.270 -0.989 1
1 443 . 15 1 1 A 43 43 SER CB C 43 64.036 62.158 1.878 1
1 444 . 15 1 1 A 43 43 SER N N 43 117.817 123.449 -5.632 1
1 1 . 16 1 1 A 6 6 SER HA H 6 4.443 4.094 0.349 1
1 4 . 16 1 1 A 6 6 SER C C 6 174.977 174.583 0.394 1
1 5 . 16 1 1 A 6 6 SER CA C 6 58.518 61.317 -2.799 1
1 6 . 16 1 1 A 6 6 SER CB C 6 63.628 62.998 0.630 1
1 7 . 16 1 1 A 7 7 GLY H H 7 8.375 7.774 0.601 1
1 8 . 16 1 1 A 7 7 GLY HA2 H 7 3.943 3.998 -0.055 1
1 9 . 16 1 1 A 7 7 GLY HA3 H 7 3.943 4.007 -0.064 1
1 10 . 16 1 1 A 7 7 GLY C C 7 174.013 173.480 0.533 1
1 11 . 16 1 1 A 7 7 GLY CA C 7 45.265 44.968 0.297 1
1 12 . 16 1 1 A 7 7 GLY N N 7 110.641 107.801 2.840 1
1 13 . 16 1 1 A 8 8 GLU H H 8 8.221 8.354 -0.133 1
1 14 . 16 1 1 A 8 8 GLU HA H 8 4.211 4.971 -0.760 1
1 19 . 16 1 1 A 8 8 GLU C C 8 176.367 175.518 0.849 1
1 20 . 16 1 1 A 8 8 GLU CA C 8 56.659 55.210 1.449 1
1 21 . 16 1 1 A 8 8 GLU CB C 8 30.440 30.555 -0.115 1
1 23 . 16 1 1 A 8 8 GLU N N 8 120.286 117.793 2.493 1
1 24 . 16 1 1 A 9 9 LYS H H 9 8.366 8.839 -0.473 1
1 25 . 16 1 1 A 9 9 LYS HA H 9 4.523 3.904 0.619 1
1 34 . 16 1 1 A 9 9 LYS C C 9 174.265 176.413 -2.148 1
1 35 . 16 1 1 A 9 9 LYS CA C 9 53.760 56.848 -3.088 1
1 36 . 16 1 1 A 9 9 LYS CB C 9 32.697 30.279 2.418 1
1 40 . 16 1 1 A 9 9 LYS N N 9 122.243 118.536 3.707 1
1 41 . 16 1 1 A 10 10 PRO HA H 10 4.279 4.426 -0.147 1
1 48 . 16 1 1 A 10 10 PRO C C 10 176.457 175.743 0.714 1
1 49 . 16 1 1 A 10 10 PRO CA C 10 63.415 64.891 -1.476 1
1 50 . 16 1 1 A 10 10 PRO CB C 10 32.074 31.631 0.443 1
1 53 . 16 1 1 A 11 11 TYR H H 11 8.273 7.220 1.053 1
1 54 . 16 1 1 A 11 11 TYR HA H 11 4.715 5.086 -0.371 1
1 61 . 16 1 1 A 11 11 TYR C C 11 174.995 175.694 -0.699 1
1 62 . 16 1 1 A 11 11 TYR CA C 11 56.584 56.510 0.074 1
1 63 . 16 1 1 A 11 11 TYR CB C 11 38.169 40.941 -2.772 1
1 68 . 16 1 1 A 11 11 TYR N N 11 118.862 118.477 0.385 1
1 69 . 16 1 1 A 12 12 GLY H H 12 8.221 8.844 -0.623 1
1 70 . 16 1 1 A 12 12 GLY HA2 H 12 3.613 4.524 -0.911 1
1 71 . 16 1 1 A 12 12 GLY HA3 H 12 4.865 4.608 0.257 1
1 72 . 16 1 1 A 12 12 GLY C C 12 173.074 172.246 0.828 1
1 73 . 16 1 1 A 12 12 GLY CA C 12 44.870 45.019 -0.149 1
1 74 . 16 1 1 A 12 12 GLY N N 12 110.093 110.213 -0.120 1
1 75 . 16 1 1 A 13 13 CYS H H 13 9.115 9.040 0.075 1
1 76 . 16 1 1 A 13 13 CYS HA H 13 4.665 5.056 -0.391 1
1 79 . 16 1 1 A 13 13 CYS C C 13 177.041 174.809 2.232 1
1 80 . 16 1 1 A 13 13 CYS CA C 13 58.883 58.131 0.752 1
1 81 . 16 1 1 A 13 13 CYS CB C 13 29.920 29.837 0.083 1
1 82 . 16 1 1 A 13 13 CYS N N 13 123.945 118.216 5.729 1
1 83 . 16 1 1 A 14 14 ASN H H 14 9.374 8.871 0.503 1
1 84 . 16 1 1 A 14 14 ASN HA H 14 4.550 4.835 -0.285 1
1 89 . 16 1 1 A 14 14 ASN C C 14 175.484 177.084 -1.600 1
1 90 . 16 1 1 A 14 14 ASN CA C 14 55.420 54.275 1.145 1
1 91 . 16 1 1 A 14 14 ASN CB C 14 38.238 39.092 -0.854 1
1 92 . 16 1 1 A 14 14 ASN N N 14 129.983 125.234 4.749 1
1 94 . 16 1 1 A 15 15 GLU H H 15 8.645 8.248 0.397 1
1 95 . 16 1 1 A 15 15 GLU HA H 15 4.212 3.952 0.260 1
1 100 . 16 1 1 A 15 15 GLU C C 15 177.052 178.057 -1.005 1
1 101 . 16 1 1 A 15 15 GLU CA C 15 58.326 58.812 -0.486 1
1 102 . 16 1 1 A 15 15 GLU CB C 15 29.466 28.773 0.693 1
1 104 . 16 1 1 A 15 15 GLU N N 15 120.926 120.001 0.925 1
1 105 . 16 1 1 A 16 16 CYS H H 16 7.846 7.327 0.519 1
1 106 . 16 1 1 A 16 16 CYS HA H 16 5.144 4.660 0.484 1
1 109 . 16 1 1 A 16 16 CYS C C 16 176.147 175.486 0.661 1
1 110 . 16 1 1 A 16 16 CYS CA C 16 58.213 59.645 -1.432 1
1 111 . 16 1 1 A 16 16 CYS CB C 16 32.251 29.976 2.275 1
1 112 . 16 1 1 A 16 16 CYS N N 16 114.327 114.532 -0.205 1
1 113 . 16 1 1 A 17 17 GLY H H 17 8.188 7.969 0.219 1
1 114 . 16 1 1 A 17 17 GLY HA2 H 17 3.875 4.052 -0.177 1
1 115 . 16 1 1 A 17 17 GLY HA3 H 17 4.202 4.057 0.145 1
1 116 . 16 1 1 A 17 17 GLY C C 17 174.225 174.667 -0.442 1
1 117 . 16 1 1 A 17 17 GLY CA C 17 46.360 45.065 1.295 1
1 118 . 16 1 1 A 17 17 GLY N N 17 113.009 110.276 2.733 1
1 119 . 16 1 1 A 18 18 LYS H H 18 7.801 7.493 0.308 1
1 120 . 16 1 1 A 18 18 LYS HA H 18 4.087 4.192 -0.105 1
1 129 . 16 1 1 A 18 18 LYS C C 18 173.597 175.082 -1.485 1
1 130 . 16 1 1 A 18 18 LYS CA C 18 57.553 55.913 1.640 1
1 131 . 16 1 1 A 18 18 LYS CB C 18 34.123 33.455 0.668 1
1 135 . 16 1 1 A 18 18 LYS N N 18 122.310 122.235 0.075 1
1 136 . 16 1 1 A 19 19 ASP H H 19 7.782 8.108 -0.326 1
1 137 . 16 1 1 A 19 19 ASP HA H 19 5.140 5.332 -0.192 1
1 140 . 16 1 1 A 19 19 ASP C C 19 174.660 173.910 0.750 1
1 141 . 16 1 1 A 19 19 ASP CA C 19 52.887 52.371 0.516 1
1 142 . 16 1 1 A 19 19 ASP CB C 19 43.759 44.727 -0.968 1
1 143 . 16 1 1 A 19 19 ASP N N 19 118.910 122.586 -3.676 1
1 144 . 16 1 1 A 20 20 PHE H H 20 8.207 9.072 -0.865 1
1 145 . 16 1 1 A 20 20 PHE HA H 20 4.735 4.797 -0.062 1
1 153 . 16 1 1 A 20 20 PHE C C 20 175.997 175.785 0.212 1
1 154 . 16 1 1 A 20 20 PHE CA C 20 57.637 57.130 0.507 1
1 155 . 16 1 1 A 20 20 PHE CB C 20 43.683 42.428 1.255 1
1 161 . 16 1 1 A 20 20 PHE N N 20 116.189 121.856 -5.667 1
1 162 . 16 1 1 A 21 21 SER H H 21 9.247 9.035 0.212 1
1 163 . 16 1 1 A 21 21 SER HA H 21 4.557 4.542 0.015 1
1 166 . 16 1 1 A 21 21 SER C C 21 173.988 174.046 -0.058 1
1 167 . 16 1 1 A 21 21 SER CA C 21 59.854 61.549 -1.695 1
1 168 . 16 1 1 A 21 21 SER CB C 21 63.994 63.660 0.334 1
1 169 . 16 1 1 A 21 21 SER N N 21 114.221 119.482 -5.261 1
1 170 . 16 1 1 A 22 22 SER H H 22 7.490 8.500 -1.010 1
1 171 . 16 1 1 A 22 22 SER HA H 22 4.473 4.810 -0.337 1
1 174 . 16 1 1 A 22 22 SER C C 22 173.228 174.155 -0.927 1
1 175 . 16 1 1 A 22 22 SER CA C 22 56.284 57.737 -1.453 1
1 176 . 16 1 1 A 22 22 SER CB C 22 66.196 65.172 1.024 1
1 177 . 16 1 1 A 22 22 SER N N 22 113.081 113.720 -0.639 1
1 178 . 16 1 1 A 23 23 LYS H H 23 8.298 8.504 -0.206 1
1 179 . 16 1 1 A 23 23 LYS HA H 23 3.376 3.236 0.140 1
1 188 . 16 1 1 A 23 23 LYS C C 23 177.950 178.098 -0.148 1
1 189 . 16 1 1 A 23 23 LYS CA C 23 58.783 59.878 -1.095 1
1 190 . 16 1 1 A 23 23 LYS CB C 23 31.851 31.567 0.284 1
1 194 . 16 1 1 A 23 23 LYS N N 23 124.483 125.090 -0.607 1
1 195 . 16 1 1 A 24 24 SER H H 24 8.124 7.888 0.236 1
1 196 . 16 1 1 A 24 24 SER HA H 24 3.971 3.966 0.005 1
1 199 . 16 1 1 A 24 24 SER C C 24 176.849 176.195 0.654 1
1 200 . 16 1 1 A 24 24 SER CA C 24 61.969 61.893 0.076 1
1 201 . 16 1 1 A 24 24 SER CB C 24 61.969 62.364 -0.395 1
1 202 . 16 1 1 A 24 24 SER N N 24 113.002 115.247 -2.245 1
1 203 . 16 1 1 A 25 25 TYR H H 25 7.305 7.855 -0.550 1
1 204 . 16 1 1 A 25 25 TYR HA H 25 4.325 4.141 0.184 1
1 211 . 16 1 1 A 25 25 TYR C C 25 178.583 177.511 1.072 1
1 212 . 16 1 1 A 25 25 TYR CA C 25 59.396 60.604 -1.208 1
1 213 . 16 1 1 A 25 25 TYR CB C 25 37.560 38.475 -0.915 1
1 218 . 16 1 1 A 25 25 TYR N N 25 119.444 120.141 -0.697 1
1 219 . 16 1 1 A 26 26 LEU H H 26 7.358 7.255 0.103 1
1 220 . 16 1 1 A 26 26 LEU HA H 26 3.339 2.892 0.447 1
1 230 . 16 1 1 A 26 26 LEU C C 26 177.371 178.376 -1.005 1
1 231 . 16 1 1 A 26 26 LEU CA C 26 58.191 57.990 0.201 1
1 232 . 16 1 1 A 26 26 LEU CB C 26 40.695 41.262 -0.567 1
1 236 . 16 1 1 A 26 26 LEU N N 26 122.536 120.637 1.899 1
1 237 . 16 1 1 A 27 27 ILE H H 27 8.225 8.135 0.090 1
1 238 . 16 1 1 A 27 27 ILE HA H 27 3.778 3.629 0.149 1
1 248 . 16 1 1 A 27 27 ILE C C 27 179.086 178.482 0.604 1
1 249 . 16 1 1 A 27 27 ILE CA C 27 64.790 65.244 -0.454 1
1 250 . 16 1 1 A 27 27 ILE CB C 27 37.725 37.501 0.224 1
1 254 . 16 1 1 A 27 27 ILE N N 27 119.370 120.216 -0.846 1
1 255 . 16 1 1 A 28 28 VAL H H 28 7.394 7.911 -0.517 1
1 256 . 16 1 1 A 28 28 VAL HA H 28 3.507 3.590 -0.083 1
1 264 . 16 1 1 A 28 28 VAL C C 28 178.897 177.994 0.903 1
1 265 . 16 1 1 A 28 28 VAL CA C 28 66.606 65.984 0.622 1
1 266 . 16 1 1 A 28 28 VAL CB C 28 31.929 31.754 0.175 1
1 269 . 16 1 1 A 28 28 VAL N N 28 118.982 121.418 -2.436 1
1 270 . 16 1 1 A 29 29 HIS H H 29 7.587 8.106 -0.519 1
1 271 . 16 1 1 A 29 29 HIS HA H 29 4.134 4.172 -0.038 1
1 276 . 16 1 1 A 29 29 HIS C C 29 176.397 177.070 -0.673 1
1 277 . 16 1 1 A 29 29 HIS CA C 29 59.312 59.929 -0.617 1
1 278 . 16 1 1 A 29 29 HIS CB C 29 27.959 29.639 -1.680 1
1 281 . 16 1 1 A 29 29 HIS N N 29 119.908 119.510 0.398 1
1 282 . 16 1 1 A 30 30 GLN H H 30 8.502 8.671 -0.169 1
1 283 . 16 1 1 A 30 30 GLN HA H 30 3.615 4.065 -0.450 1
1 290 . 16 1 1 A 30 30 GLN C C 30 177.427 178.833 -1.406 1
1 291 . 16 1 1 A 30 30 GLN CA C 30 59.579 59.096 0.483 1
1 292 . 16 1 1 A 30 30 GLN CB C 30 28.227 28.259 -0.032 1
1 294 . 16 1 1 A 30 30 GLN N N 30 115.041 117.555 -2.514 1
1 296 . 16 1 1 A 31 31 ARG H H 31 7.242 7.880 -0.638 1
1 297 . 16 1 1 A 31 31 ARG HA H 31 4.142 4.419 -0.277 1
1 304 . 16 1 1 A 31 31 ARG C C 31 178.802 179.317 -0.515 1
1 305 . 16 1 1 A 31 31 ARG CA C 31 58.548 59.085 -0.537 1
1 306 . 16 1 1 A 31 31 ARG CB C 31 30.083 29.937 0.146 1
1 309 . 16 1 1 A 31 31 ARG N N 31 118.327 119.687 -1.360 1
1 310 . 16 1 1 A 32 32 ILE H H 32 7.871 7.968 -0.097 1
1 311 . 16 1 1 A 32 32 ILE HA H 32 3.947 3.779 0.168 1
1 321 . 16 1 1 A 32 32 ILE C C 32 177.496 176.757 0.739 1
1 322 . 16 1 1 A 32 32 ILE CA C 32 63.124 62.943 0.181 1
1 323 . 16 1 1 A 32 32 ILE CB C 32 37.609 37.260 0.349 1
1 327 . 16 1 1 A 32 32 ILE N N 32 116.287 117.117 -0.830 1
1 328 . 16 1 1 A 33 33 HIS H H 33 7.158 7.706 -0.548 1
1 329 . 16 1 1 A 33 33 HIS HA H 33 4.846 4.586 0.260 1
1 334 . 16 1 1 A 33 33 HIS C C 33 176.000 175.086 0.914 1
1 335 . 16 1 1 A 33 33 HIS CA C 33 55.125 57.216 -2.091 1
1 336 . 16 1 1 A 33 33 HIS CB C 33 28.536 31.372 -2.836 1
1 339 . 16 1 1 A 33 33 HIS N N 33 117.660 118.954 -1.294 1
1 340 . 16 1 1 A 34 34 THR H H 34 7.811 7.812 -0.001 1
1 341 . 16 1 1 A 34 34 THR HA H 34 4.320 4.271 0.049 1
1 346 . 16 1 1 A 34 34 THR C C 34 175.641 174.267 1.374 1
1 347 . 16 1 1 A 34 34 THR CA C 34 62.869 62.302 0.567 1
1 348 . 16 1 1 A 34 34 THR CB C 34 69.771 67.966 1.805 1
1 350 . 16 1 1 A 34 34 THR N N 34 112.089 109.187 2.902 1
1 351 . 16 1 1 A 35 35 GLY H H 35 8.210 7.873 0.337 1
1 352 . 16 1 1 A 35 35 GLY HA2 H 35 4.019 4.174 -0.155 1
1 353 . 16 1 1 A 35 35 GLY HA3 H 35 3.944 4.179 -0.235 1
1 354 . 16 1 1 A 35 35 GLY C C 35 174.359 172.541 1.818 1
1 355 . 16 1 1 A 35 35 GLY CA C 35 45.494 45.746 -0.252 1
1 356 . 16 1 1 A 35 35 GLY N N 35 110.437 112.434 -1.997 1
1 357 . 16 1 1 A 36 36 GLU H H 36 8.085 8.957 -0.872 1
1 358 . 16 1 1 A 36 36 GLU HA H 36 4.214 4.989 -0.775 1
1 363 . 16 1 1 A 36 36 GLU C C 36 176.485 174.672 1.813 1
1 364 . 16 1 1 A 36 36 GLU CA C 36 56.691 54.398 2.293 1
1 365 . 16 1 1 A 36 36 GLU CB C 36 30.455 33.551 -3.096 1
1 367 . 16 1 1 A 36 36 GLU N N 36 120.789 122.988 -2.199 1
1 368 . 16 1 1 A 37 37 LYS H H 37 8.316 8.408 -0.092 1
1 369 . 16 1 1 A 37 37 LYS HA H 37 4.313 4.412 -0.099 1
1 378 . 16 1 1 A 37 37 LYS C C 37 176.554 175.341 1.213 1
1 379 . 16 1 1 A 37 37 LYS CA C 37 56.270 56.772 -0.502 1
1 380 . 16 1 1 A 37 37 LYS CB C 37 32.830 32.943 -0.113 1
1 384 . 16 1 1 A 37 37 LYS N N 37 122.204 125.117 -2.913 1
1 385 . 16 1 1 A 38 38 LEU H H 38 8.295 8.626 -0.331 1
1 386 . 16 1 1 A 38 38 LEU HA H 38 4.390 4.870 -0.480 1
1 396 . 16 1 1 A 38 38 LEU C C 38 177.408 176.232 1.176 1
1 397 . 16 1 1 A 38 38 LEU CA C 38 55.081 53.189 1.892 1
1 398 . 16 1 1 A 38 38 LEU CB C 38 42.248 44.479 -2.231 1
1 402 . 16 1 1 A 38 38 LEU N N 38 123.561 128.681 -5.120 1
1 403 . 16 1 1 A 39 39 SER H H 39 8.293 9.036 -0.743 1
1 404 . 16 1 1 A 39 39 SER HA H 39 4.487 4.083 0.404 1
1 407 . 16 1 1 A 39 39 SER C C 39 174.479 173.782 0.697 1
1 408 . 16 1 1 A 39 39 SER CA C 39 58.221 58.987 -0.766 1
1 409 . 16 1 1 A 39 39 SER CB C 39 63.918 61.590 2.328 1
1 410 . 16 1 1 A 39 39 SER N N 39 116.483 121.428 -4.945 1
1 411 . 16 1 1 A 40 40 GLY H H 40 8.210 8.166 0.044 1
1 412 . 16 1 1 A 40 40 GLY HA2 H 40 4.163 4.034 0.129 1
1 413 . 16 1 1 A 40 40 GLY HA3 H 40 4.097 4.034 0.063 1
1 414 . 16 1 1 A 40 40 GLY C C 40 171.732 173.260 -1.528 1
1 415 . 16 1 1 A 40 40 GLY CA C 40 44.672 44.225 0.447 1
1 416 . 16 1 1 A 40 40 GLY N N 40 110.630 108.303 2.327 1
1 417 . 16 1 1 A 41 41 PRO HA H 41 4.476 4.517 -0.041 1
1 424 . 16 1 1 A 41 41 PRO C C 41 177.357 176.844 0.513 1
1 425 . 16 1 1 A 41 41 PRO CA C 41 63.215 62.447 0.768 1
1 426 . 16 1 1 A 41 41 PRO CB C 41 32.212 33.368 -1.156 1
1 429 . 16 1 1 A 42 42 SER H H 42 8.535 8.733 -0.198 1
1 430 . 16 1 1 A 42 42 SER HA H 42 4.470 4.404 0.066 1
1 433 . 16 1 1 A 42 42 SER C C 42 174.589 174.371 0.218 1
1 434 . 16 1 1 A 42 42 SER CA C 42 58.435 61.037 -2.602 1
1 435 . 16 1 1 A 42 42 SER CB C 42 63.984 63.333 0.651 1
1 436 . 16 1 1 A 42 42 SER N N 42 116.375 116.349 0.026 1
1 437 . 16 1 1 A 43 43 SER H H 43 8.303 7.584 0.719 1
1 438 . 16 1 1 A 43 43 SER HA H 43 4.457 4.310 0.147 1
1 441 . 16 1 1 A 43 43 SER C C 43 173.896 175.309 -1.413 1
1 442 . 16 1 1 A 43 43 SER CA C 43 58.281 59.968 -1.687 1
1 443 . 16 1 1 A 43 43 SER CB C 43 64.036 62.612 1.424 1
1 444 . 16 1 1 A 43 43 SER N N 43 117.817 112.255 5.562 1
1 1 . 17 1 1 A 6 6 SER HA H 6 4.443 4.309 0.134 1
1 4 . 17 1 1 A 6 6 SER C C 6 174.977 175.487 -0.510 1
1 5 . 17 1 1 A 6 6 SER CA C 6 58.518 61.579 -3.061 1
1 6 . 17 1 1 A 6 6 SER CB C 6 63.628 63.247 0.381 1
1 7 . 17 1 1 A 7 7 GLY H H 7 8.375 7.410 0.965 1
1 8 . 17 1 1 A 7 7 GLY HA2 H 7 3.943 4.144 -0.201 1
1 9 . 17 1 1 A 7 7 GLY HA3 H 7 3.943 4.154 -0.211 1
1 10 . 17 1 1 A 7 7 GLY C C 7 174.013 173.834 0.179 1
1 11 . 17 1 1 A 7 7 GLY CA C 7 45.265 45.296 -0.031 1
1 12 . 17 1 1 A 7 7 GLY N N 7 110.641 105.278 5.363 1
1 13 . 17 1 1 A 8 8 GLU H H 8 8.221 7.680 0.541 1
1 14 . 17 1 1 A 8 8 GLU HA H 8 4.211 4.762 -0.551 1
1 19 . 17 1 1 A 8 8 GLU C C 8 176.367 176.279 0.088 1
1 20 . 17 1 1 A 8 8 GLU CA C 8 56.659 54.996 1.663 1
1 21 . 17 1 1 A 8 8 GLU CB C 8 30.440 30.406 0.034 1
1 23 . 17 1 1 A 8 8 GLU N N 8 120.286 116.660 3.626 1
1 24 . 17 1 1 A 9 9 LYS H H 9 8.366 8.252 0.114 1
1 25 . 17 1 1 A 9 9 LYS HA H 9 4.523 4.229 0.294 1
1 34 . 17 1 1 A 9 9 LYS C C 9 174.265 177.079 -2.814 1
1 35 . 17 1 1 A 9 9 LYS CA C 9 53.760 57.175 -3.415 1
1 36 . 17 1 1 A 9 9 LYS CB C 9 32.697 29.918 2.779 1
1 40 . 17 1 1 A 9 9 LYS N N 9 122.243 120.505 1.738 1
1 41 . 17 1 1 A 10 10 PRO HA H 10 4.279 4.448 -0.169 1
1 48 . 17 1 1 A 10 10 PRO C C 10 176.457 175.722 0.735 1
1 49 . 17 1 1 A 10 10 PRO CA C 10 63.415 64.659 -1.244 1
1 50 . 17 1 1 A 10 10 PRO CB C 10 32.074 31.473 0.601 1
1 53 . 17 1 1 A 11 11 TYR H H 11 8.273 7.626 0.647 1
1 54 . 17 1 1 A 11 11 TYR HA H 11 4.715 4.985 -0.270 1
1 61 . 17 1 1 A 11 11 TYR C C 11 174.995 175.813 -0.818 1
1 62 . 17 1 1 A 11 11 TYR CA C 11 56.584 56.470 0.114 1
1 63 . 17 1 1 A 11 11 TYR CB C 11 38.169 41.200 -3.031 1
1 68 . 17 1 1 A 11 11 TYR N N 11 118.862 119.170 -0.308 1
1 69 . 17 1 1 A 12 12 GLY H H 12 8.221 8.785 -0.564 1
1 70 . 17 1 1 A 12 12 GLY HA2 H 12 3.613 4.359 -0.746 1
1 71 . 17 1 1 A 12 12 GLY HA3 H 12 4.865 4.484 0.381 1
1 72 . 17 1 1 A 12 12 GLY C C 12 173.074 172.042 1.032 1
1 73 . 17 1 1 A 12 12 GLY CA C 12 44.870 45.940 -1.070 1
1 74 . 17 1 1 A 12 12 GLY N N 12 110.093 108.881 1.212 1
1 75 . 17 1 1 A 13 13 CYS H H 13 9.115 8.882 0.233 1
1 76 . 17 1 1 A 13 13 CYS HA H 13 4.665 5.029 -0.364 1
1 79 . 17 1 1 A 13 13 CYS C C 13 177.041 175.667 1.374 1
1 80 . 17 1 1 A 13 13 CYS CA C 13 58.883 58.062 0.821 1
1 81 . 17 1 1 A 13 13 CYS CB C 13 29.920 29.746 0.174 1
1 82 . 17 1 1 A 13 13 CYS N N 13 123.945 118.505 5.440 1
1 83 . 17 1 1 A 14 14 ASN H H 14 9.374 8.997 0.377 1
1 84 . 17 1 1 A 14 14 ASN HA H 14 4.550 5.015 -0.465 1
1 89 . 17 1 1 A 14 14 ASN C C 14 175.484 176.042 -0.558 1
1 90 . 17 1 1 A 14 14 ASN CA C 14 55.420 52.204 3.216 1
1 91 . 17 1 1 A 14 14 ASN CB C 14 38.238 38.998 -0.760 1
1 92 . 17 1 1 A 14 14 ASN N N 14 129.983 126.535 3.448 1
1 94 . 17 1 1 A 15 15 GLU H H 15 8.645 7.559 1.086 1
1 95 . 17 1 1 A 15 15 GLU HA H 15 4.212 4.438 -0.226 1
1 100 . 17 1 1 A 15 15 GLU C C 15 177.052 177.809 -0.757 1
1 101 . 17 1 1 A 15 15 GLU CA C 15 58.326 57.072 1.254 1
1 102 . 17 1 1 A 15 15 GLU CB C 15 29.466 31.643 -2.177 1
1 104 . 17 1 1 A 15 15 GLU N N 15 120.926 120.394 0.532 1
1 105 . 17 1 1 A 16 16 CYS H H 16 7.846 7.548 0.298 1
1 106 . 17 1 1 A 16 16 CYS HA H 16 5.144 4.652 0.492 1
1 109 . 17 1 1 A 16 16 CYS C C 16 176.147 175.577 0.570 1
1 110 . 17 1 1 A 16 16 CYS CA C 16 58.213 59.444 -1.231 1
1 111 . 17 1 1 A 16 16 CYS CB C 16 32.251 29.946 2.305 1
1 112 . 17 1 1 A 16 16 CYS N N 16 114.327 114.828 -0.501 1
1 113 . 17 1 1 A 17 17 GLY H H 17 8.188 8.006 0.182 1
1 114 . 17 1 1 A 17 17 GLY HA2 H 17 3.875 4.059 -0.184 1
1 115 . 17 1 1 A 17 17 GLY HA3 H 17 4.202 4.066 0.136 1
1 116 . 17 1 1 A 17 17 GLY C C 17 174.225 174.527 -0.302 1
1 117 . 17 1 1 A 17 17 GLY CA C 17 46.360 45.004 1.356 1
1 118 . 17 1 1 A 17 17 GLY N N 17 113.009 109.823 3.186 1
1 119 . 17 1 1 A 18 18 LYS H H 18 7.801 7.506 0.295 1
1 120 . 17 1 1 A 18 18 LYS HA H 18 4.087 4.227 -0.140 1
1 129 . 17 1 1 A 18 18 LYS C C 18 173.597 175.145 -1.548 1
1 130 . 17 1 1 A 18 18 LYS CA C 18 57.553 55.794 1.759 1
1 131 . 17 1 1 A 18 18 LYS CB C 18 34.123 33.434 0.689 1
1 135 . 17 1 1 A 18 18 LYS N N 18 122.310 122.208 0.102 1
1 136 . 17 1 1 A 19 19 ASP H H 19 7.782 8.075 -0.293 1
1 137 . 17 1 1 A 19 19 ASP HA H 19 5.140 5.314 -0.174 1
1 140 . 17 1 1 A 19 19 ASP C C 19 174.660 174.605 0.055 1
1 141 . 17 1 1 A 19 19 ASP CA C 19 52.887 52.519 0.368 1
1 142 . 17 1 1 A 19 19 ASP CB C 19 43.759 44.890 -1.131 1
1 143 . 17 1 1 A 19 19 ASP N N 19 118.910 122.843 -3.933 1
1 144 . 17 1 1 A 20 20 PHE H H 20 8.207 8.609 -0.402 1
1 145 . 17 1 1 A 20 20 PHE HA H 20 4.735 4.960 -0.225 1
1 153 . 17 1 1 A 20 20 PHE C C 20 175.997 175.891 0.106 1
1 154 . 17 1 1 A 20 20 PHE CA C 20 57.637 57.186 0.451 1
1 155 . 17 1 1 A 20 20 PHE CB C 20 43.683 43.391 0.292 1
1 161 . 17 1 1 A 20 20 PHE N N 20 116.189 121.229 -5.040 1
1 162 . 17 1 1 A 21 21 SER H H 21 9.247 8.966 0.281 1
1 163 . 17 1 1 A 21 21 SER HA H 21 4.557 4.604 -0.047 1
1 166 . 17 1 1 A 21 21 SER C C 21 173.988 174.742 -0.754 1
1 167 . 17 1 1 A 21 21 SER CA C 21 59.854 60.581 -0.727 1
1 168 . 17 1 1 A 21 21 SER CB C 21 63.994 64.436 -0.442 1
1 169 . 17 1 1 A 21 21 SER N N 21 114.221 117.011 -2.790 1
1 170 . 17 1 1 A 22 22 SER H H 22 7.490 8.364 -0.874 1
1 171 . 17 1 1 A 22 22 SER HA H 22 4.473 4.679 -0.206 1
1 174 . 17 1 1 A 22 22 SER C C 22 173.228 174.350 -1.122 1
1 175 . 17 1 1 A 22 22 SER CA C 22 56.284 57.334 -1.050 1
1 176 . 17 1 1 A 22 22 SER CB C 22 66.196 65.418 0.778 1
1 177 . 17 1 1 A 22 22 SER N N 22 113.081 116.371 -3.290 1
1 178 . 17 1 1 A 23 23 LYS H H 23 8.298 8.575 -0.277 1
1 179 . 17 1 1 A 23 23 LYS HA H 23 3.376 3.192 0.184 1
1 188 . 17 1 1 A 23 23 LYS C C 23 177.950 178.040 -0.090 1
1 189 . 17 1 1 A 23 23 LYS CA C 23 58.783 59.416 -0.633 1
1 190 . 17 1 1 A 23 23 LYS CB C 23 31.851 31.644 0.207 1
1 194 . 17 1 1 A 23 23 LYS N N 23 124.483 125.242 -0.759 1
1 195 . 17 1 1 A 24 24 SER H H 24 8.124 7.800 0.324 1
1 196 . 17 1 1 A 24 24 SER HA H 24 3.971 3.980 -0.009 1
1 199 . 17 1 1 A 24 24 SER C C 24 176.849 176.329 0.520 1
1 200 . 17 1 1 A 24 24 SER CA C 24 61.969 62.120 -0.151 1
1 201 . 17 1 1 A 24 24 SER CB C 24 61.969 62.454 -0.485 1
1 202 . 17 1 1 A 24 24 SER N N 24 113.002 116.486 -3.484 1
1 203 . 17 1 1 A 25 25 TYR H H 25 7.305 7.915 -0.610 1
1 204 . 17 1 1 A 25 25 TYR HA H 25 4.325 4.228 0.097 1
1 211 . 17 1 1 A 25 25 TYR C C 25 178.583 177.730 0.853 1
1 212 . 17 1 1 A 25 25 TYR CA C 25 59.396 60.497 -1.101 1
1 213 . 17 1 1 A 25 25 TYR CB C 25 37.560 38.296 -0.736 1
1 218 . 17 1 1 A 25 25 TYR N N 25 119.444 120.187 -0.743 1
1 219 . 17 1 1 A 26 26 LEU H H 26 7.358 7.770 -0.412 1
1 220 . 17 1 1 A 26 26 LEU HA H 26 3.339 2.976 0.363 1
1 230 . 17 1 1 A 26 26 LEU C C 26 177.371 178.402 -1.031 1
1 231 . 17 1 1 A 26 26 LEU CA C 26 58.191 57.893 0.298 1
1 232 . 17 1 1 A 26 26 LEU CB C 26 40.695 41.693 -0.998 1
1 236 . 17 1 1 A 26 26 LEU N N 26 122.536 120.788 1.748 1
1 237 . 17 1 1 A 27 27 ILE H H 27 8.225 8.010 0.215 1
1 238 . 17 1 1 A 27 27 ILE HA H 27 3.778 3.614 0.164 1
1 248 . 17 1 1 A 27 27 ILE C C 27 179.086 178.584 0.502 1
1 249 . 17 1 1 A 27 27 ILE CA C 27 64.790 65.231 -0.441 1
1 250 . 17 1 1 A 27 27 ILE CB C 27 37.725 37.714 0.011 1
1 254 . 17 1 1 A 27 27 ILE N N 27 119.370 119.636 -0.266 1
1 255 . 17 1 1 A 28 28 VAL H H 28 7.394 8.005 -0.611 1
1 256 . 17 1 1 A 28 28 VAL HA H 28 3.507 3.549 -0.042 1
1 264 . 17 1 1 A 28 28 VAL C C 28 178.897 178.209 0.688 1
1 265 . 17 1 1 A 28 28 VAL CA C 28 66.606 66.106 0.500 1
1 266 . 17 1 1 A 28 28 VAL CB C 28 31.929 31.797 0.132 1
1 269 . 17 1 1 A 28 28 VAL N N 28 118.982 120.855 -1.873 1
1 270 . 17 1 1 A 29 29 HIS H H 29 7.587 8.094 -0.507 1
1 271 . 17 1 1 A 29 29 HIS HA H 29 4.134 4.191 -0.057 1
1 276 . 17 1 1 A 29 29 HIS C C 29 176.397 176.943 -0.546 1
1 277 . 17 1 1 A 29 29 HIS CA C 29 59.312 59.792 -0.480 1
1 278 . 17 1 1 A 29 29 HIS CB C 29 27.959 29.717 -1.758 1
1 281 . 17 1 1 A 29 29 HIS N N 29 119.908 119.515 0.393 1
1 282 . 17 1 1 A 30 30 GLN H H 30 8.502 8.619 -0.117 1
1 283 . 17 1 1 A 30 30 GLN HA H 30 3.615 4.013 -0.398 1
1 290 . 17 1 1 A 30 30 GLN C C 30 177.427 178.694 -1.267 1
1 291 . 17 1 1 A 30 30 GLN CA C 30 59.579 59.045 0.534 1
1 292 . 17 1 1 A 30 30 GLN CB C 30 28.227 28.453 -0.226 1
1 294 . 17 1 1 A 30 30 GLN N N 30 115.041 117.398 -2.357 1
1 296 . 17 1 1 A 31 31 ARG H H 31 7.242 7.947 -0.705 1
1 297 . 17 1 1 A 31 31 ARG HA H 31 4.142 4.436 -0.294 1
1 304 . 17 1 1 A 31 31 ARG C C 31 178.802 179.299 -0.497 1
1 305 . 17 1 1 A 31 31 ARG CA C 31 58.548 59.096 -0.548 1
1 306 . 17 1 1 A 31 31 ARG CB C 31 30.083 29.898 0.185 1
1 309 . 17 1 1 A 31 31 ARG N N 31 118.327 119.882 -1.555 1
1 310 . 17 1 1 A 32 32 ILE H H 32 7.871 7.983 -0.112 1
1 311 . 17 1 1 A 32 32 ILE HA H 32 3.947 3.791 0.156 1
1 321 . 17 1 1 A 32 32 ILE C C 32 177.496 176.872 0.624 1
1 322 . 17 1 1 A 32 32 ILE CA C 32 63.124 62.951 0.173 1
1 323 . 17 1 1 A 32 32 ILE CB C 32 37.609 37.266 0.343 1
1 327 . 17 1 1 A 32 32 ILE N N 32 116.287 117.264 -0.977 1
1 328 . 17 1 1 A 33 33 HIS H H 33 7.158 7.743 -0.585 1
1 329 . 17 1 1 A 33 33 HIS HA H 33 4.846 4.563 0.283 1
1 334 . 17 1 1 A 33 33 HIS C C 33 176.000 175.014 0.986 1
1 335 . 17 1 1 A 33 33 HIS CA C 33 55.125 57.332 -2.207 1
1 336 . 17 1 1 A 33 33 HIS CB C 33 28.536 31.225 -2.689 1
1 339 . 17 1 1 A 33 33 HIS N N 33 117.660 118.876 -1.216 1
1 340 . 17 1 1 A 34 34 THR H H 34 7.811 7.809 0.002 1
1 341 . 17 1 1 A 34 34 THR HA H 34 4.320 4.285 0.035 1
1 346 . 17 1 1 A 34 34 THR C C 34 175.641 174.475 1.166 1
1 347 . 17 1 1 A 34 34 THR CA C 34 62.869 62.056 0.813 1
1 348 . 17 1 1 A 34 34 THR CB C 34 69.771 68.782 0.989 1
1 350 . 17 1 1 A 34 34 THR N N 34 112.089 111.474 0.615 1
1 351 . 17 1 1 A 35 35 GLY H H 35 8.210 8.880 -0.670 1
1 352 . 17 1 1 A 35 35 GLY HA2 H 35 4.019 3.960 0.059 1
1 353 . 17 1 1 A 35 35 GLY HA3 H 35 3.944 3.966 -0.022 1
1 354 . 17 1 1 A 35 35 GLY C C 35 174.359 172.764 1.595 1
1 355 . 17 1 1 A 35 35 GLY CA C 35 45.494 46.429 -0.935 1
1 356 . 17 1 1 A 35 35 GLY N N 35 110.437 111.118 -0.681 1
1 357 . 17 1 1 A 36 36 GLU H H 36 8.085 8.422 -0.337 1
1 358 . 17 1 1 A 36 36 GLU HA H 36 4.214 4.660 -0.446 1
1 363 . 17 1 1 A 36 36 GLU C C 36 176.485 175.543 0.942 1
1 364 . 17 1 1 A 36 36 GLU CA C 36 56.691 54.785 1.906 1
1 365 . 17 1 1 A 36 36 GLU CB C 36 30.455 30.190 0.265 1
1 367 . 17 1 1 A 36 36 GLU N N 36 120.789 124.836 -4.047 1
1 368 . 17 1 1 A 37 37 LYS H H 37 8.316 8.322 -0.006 1
1 369 . 17 1 1 A 37 37 LYS HA H 37 4.313 3.747 0.566 1
1 378 . 17 1 1 A 37 37 LYS C C 37 176.554 174.560 1.994 1
1 379 . 17 1 1 A 37 37 LYS CA C 37 56.270 57.189 -0.919 1
1 380 . 17 1 1 A 37 37 LYS CB C 37 32.830 29.363 3.467 1
1 384 . 17 1 1 A 37 37 LYS N N 37 122.204 123.339 -1.135 1
1 385 . 17 1 1 A 38 38 LEU H H 38 8.295 7.696 0.599 1
1 386 . 17 1 1 A 38 38 LEU HA H 38 4.390 4.858 -0.468 1
1 396 . 17 1 1 A 38 38 LEU C C 38 177.408 175.929 1.479 1
1 397 . 17 1 1 A 38 38 LEU CA C 38 55.081 53.540 1.541 1
1 398 . 17 1 1 A 38 38 LEU CB C 38 42.248 45.128 -2.880 1
1 402 . 17 1 1 A 38 38 LEU N N 38 123.561 120.122 3.439 1
1 403 . 17 1 1 A 39 39 SER H H 39 8.293 8.964 -0.671 1
1 404 . 17 1 1 A 39 39 SER HA H 39 4.487 4.852 -0.365 1
1 407 . 17 1 1 A 39 39 SER C C 39 174.479 174.575 -0.096 1
1 408 . 17 1 1 A 39 39 SER CA C 39 58.221 57.605 0.616 1
1 409 . 17 1 1 A 39 39 SER CB C 39 63.918 64.288 -0.370 1
1 410 . 17 1 1 A 39 39 SER N N 39 116.483 119.815 -3.332 1
1 411 . 17 1 1 A 40 40 GLY H H 40 8.210 8.267 -0.057 1
1 412 . 17 1 1 A 40 40 GLY HA2 H 40 4.163 4.248 -0.085 1
1 413 . 17 1 1 A 40 40 GLY HA3 H 40 4.097 4.251 -0.154 1
1 414 . 17 1 1 A 40 40 GLY C C 40 171.732 171.923 -0.191 1
1 415 . 17 1 1 A 40 40 GLY CA C 40 44.672 45.444 -0.772 1
1 416 . 17 1 1 A 40 40 GLY N N 40 110.630 108.646 1.984 1
1 417 . 17 1 1 A 41 41 PRO HA H 41 4.476 4.404 0.072 1
1 424 . 17 1 1 A 41 41 PRO C C 41 177.357 177.426 -0.069 1
1 425 . 17 1 1 A 41 41 PRO CA C 41 63.215 62.694 0.521 1
1 426 . 17 1 1 A 41 41 PRO CB C 41 32.212 29.968 2.244 1
1 429 . 17 1 1 A 42 42 SER H H 42 8.535 8.415 0.120 1
1 430 . 17 1 1 A 42 42 SER HA H 42 4.470 4.028 0.442 1
1 433 . 17 1 1 A 42 42 SER C C 42 174.589 174.360 0.229 1
1 434 . 17 1 1 A 42 42 SER CA C 42 58.435 59.338 -0.903 1
1 435 . 17 1 1 A 42 42 SER CB C 42 63.984 61.507 2.477 1
1 436 . 17 1 1 A 42 42 SER N N 42 116.375 118.565 -2.190 1
1 437 . 17 1 1 A 43 43 SER H H 43 8.303 7.795 0.508 1
1 438 . 17 1 1 A 43 43 SER HA H 43 4.457 4.559 -0.102 1
1 441 . 17 1 1 A 43 43 SER C C 43 173.896 174.347 -0.451 1
1 442 . 17 1 1 A 43 43 SER CA C 43 58.281 57.984 0.297 1
1 443 . 17 1 1 A 43 43 SER CB C 43 64.036 64.126 -0.090 1
1 444 . 17 1 1 A 43 43 SER N N 43 117.817 116.304 1.513 1
1 1 . 18 1 1 A 6 6 SER HA H 6 4.443 5.181 -0.738 1
1 4 . 18 1 1 A 6 6 SER C C 6 174.977 174.171 0.806 1
1 5 . 18 1 1 A 6 6 SER CA C 6 58.518 57.426 1.092 1
1 6 . 18 1 1 A 6 6 SER CB C 6 63.628 66.490 -2.862 1
1 7 . 18 1 1 A 7 7 GLY H H 7 8.375 8.781 -0.406 1
1 8 . 18 1 1 A 7 7 GLY HA2 H 7 3.943 3.919 0.024 1
1 9 . 18 1 1 A 7 7 GLY HA3 H 7 3.943 3.935 0.008 1
1 10 . 18 1 1 A 7 7 GLY C C 7 174.013 173.733 0.280 1
1 11 . 18 1 1 A 7 7 GLY CA C 7 45.265 47.277 -2.012 1
1 12 . 18 1 1 A 7 7 GLY N N 7 110.641 111.237 -0.596 1
1 13 . 18 1 1 A 8 8 GLU H H 8 8.221 7.871 0.350 1
1 14 . 18 1 1 A 8 8 GLU HA H 8 4.211 4.656 -0.445 1
1 19 . 18 1 1 A 8 8 GLU C C 8 176.367 176.227 0.140 1
1 20 . 18 1 1 A 8 8 GLU CA C 8 56.659 55.047 1.612 1
1 21 . 18 1 1 A 8 8 GLU CB C 8 30.440 27.825 2.615 1
1 23 . 18 1 1 A 8 8 GLU N N 8 120.286 121.815 -1.529 1
1 24 . 18 1 1 A 9 9 LYS H H 9 8.366 7.859 0.507 1
1 25 . 18 1 1 A 9 9 LYS HA H 9 4.523 4.151 0.372 1
1 34 . 18 1 1 A 9 9 LYS C C 9 174.265 177.109 -2.844 1
1 35 . 18 1 1 A 9 9 LYS CA C 9 53.760 57.160 -3.400 1
1 36 . 18 1 1 A 9 9 LYS CB C 9 32.697 30.114 2.583 1
1 40 . 18 1 1 A 9 9 LYS N N 9 122.243 118.320 3.923 1
1 41 . 18 1 1 A 10 10 PRO HA H 10 4.279 4.480 -0.201 1
1 48 . 18 1 1 A 10 10 PRO C C 10 176.457 175.830 0.627 1
1 49 . 18 1 1 A 10 10 PRO CA C 10 63.415 64.738 -1.323 1
1 50 . 18 1 1 A 10 10 PRO CB C 10 32.074 31.387 0.687 1
1 53 . 18 1 1 A 11 11 TYR H H 11 8.273 7.705 0.568 1
1 54 . 18 1 1 A 11 11 TYR HA H 11 4.715 4.981 -0.266 1
1 61 . 18 1 1 A 11 11 TYR C C 11 174.995 175.864 -0.869 1
1 62 . 18 1 1 A 11 11 TYR CA C 11 56.584 56.842 -0.258 1
1 63 . 18 1 1 A 11 11 TYR CB C 11 38.169 40.874 -2.705 1
1 68 . 18 1 1 A 11 11 TYR N N 11 118.862 118.836 0.026 1
1 69 . 18 1 1 A 12 12 GLY H H 12 8.221 8.789 -0.568 1
1 70 . 18 1 1 A 12 12 GLY HA2 H 12 3.613 4.509 -0.896 1
1 71 . 18 1 1 A 12 12 GLY HA3 H 12 4.865 4.675 0.190 1
1 72 . 18 1 1 A 12 12 GLY C C 12 173.074 172.143 0.931 1
1 73 . 18 1 1 A 12 12 GLY CA C 12 44.870 45.561 -0.691 1
1 74 . 18 1 1 A 12 12 GLY N N 12 110.093 109.530 0.563 1
1 75 . 18 1 1 A 13 13 CYS H H 13 9.115 9.067 0.048 1
1 76 . 18 1 1 A 13 13 CYS HA H 13 4.665 5.336 -0.671 1
1 79 . 18 1 1 A 13 13 CYS C C 13 177.041 175.089 1.952 1
1 80 . 18 1 1 A 13 13 CYS CA C 13 58.883 57.608 1.275 1
1 81 . 18 1 1 A 13 13 CYS CB C 13 29.920 31.155 -1.235 1
1 82 . 18 1 1 A 13 13 CYS N N 13 123.945 118.388 5.557 1
1 83 . 18 1 1 A 14 14 ASN H H 14 9.374 9.022 0.352 1
1 84 . 18 1 1 A 14 14 ASN HA H 14 4.550 4.629 -0.079 1
1 89 . 18 1 1 A 14 14 ASN C C 14 175.484 177.561 -2.077 1
1 90 . 18 1 1 A 14 14 ASN CA C 14 55.420 55.496 -0.076 1
1 91 . 18 1 1 A 14 14 ASN CB C 14 38.238 38.591 -0.353 1
1 92 . 18 1 1 A 14 14 ASN N N 14 129.983 126.341 3.642 1
1 94 . 18 1 1 A 15 15 GLU H H 15 8.645 8.429 0.216 1
1 95 . 18 1 1 A 15 15 GLU HA H 15 4.212 3.924 0.288 1
1 100 . 18 1 1 A 15 15 GLU C C 15 177.052 178.111 -1.059 1
1 101 . 18 1 1 A 15 15 GLU CA C 15 58.326 59.118 -0.792 1
1 102 . 18 1 1 A 15 15 GLU CB C 15 29.466 28.861 0.605 1
1 104 . 18 1 1 A 15 15 GLU N N 15 120.926 120.273 0.653 1
1 105 . 18 1 1 A 16 16 CYS H H 16 7.846 7.997 -0.151 1
1 106 . 18 1 1 A 16 16 CYS HA H 16 5.144 4.691 0.453 1
1 109 . 18 1 1 A 16 16 CYS C C 16 176.147 175.479 0.668 1
1 110 . 18 1 1 A 16 16 CYS CA C 16 58.213 59.761 -1.548 1
1 111 . 18 1 1 A 16 16 CYS CB C 16 32.251 29.980 2.271 1
1 112 . 18 1 1 A 16 16 CYS N N 16 114.327 114.763 -0.436 1
1 113 . 18 1 1 A 17 17 GLY H H 17 8.188 8.176 0.012 1
1 114 . 18 1 1 A 17 17 GLY HA2 H 17 3.875 4.075 -0.200 1
1 115 . 18 1 1 A 17 17 GLY HA3 H 17 4.202 4.090 0.112 1
1 116 . 18 1 1 A 17 17 GLY C C 17 174.225 174.405 -0.180 1
1 117 . 18 1 1 A 17 17 GLY CA C 17 46.360 45.324 1.036 1
1 118 . 18 1 1 A 17 17 GLY N N 17 113.009 110.289 2.720 1
1 119 . 18 1 1 A 18 18 LYS H H 18 7.801 7.893 -0.092 1
1 120 . 18 1 1 A 18 18 LYS HA H 18 4.087 4.634 -0.547 1
1 129 . 18 1 1 A 18 18 LYS C C 18 173.597 174.833 -1.236 1
1 130 . 18 1 1 A 18 18 LYS CA C 18 57.553 54.965 2.588 1
1 131 . 18 1 1 A 18 18 LYS CB C 18 34.123 34.020 0.103 1
1 135 . 18 1 1 A 18 18 LYS N N 18 122.310 121.261 1.049 1
1 136 . 18 1 1 A 19 19 ASP H H 19 7.782 8.104 -0.322 1
1 137 . 18 1 1 A 19 19 ASP HA H 19 5.140 5.497 -0.357 1
1 140 . 18 1 1 A 19 19 ASP C C 19 174.660 174.324 0.336 1
1 141 . 18 1 1 A 19 19 ASP CA C 19 52.887 52.501 0.386 1
1 142 . 18 1 1 A 19 19 ASP CB C 19 43.759 44.615 -0.856 1
1 143 . 18 1 1 A 19 19 ASP N N 19 118.910 123.392 -4.482 1
1 144 . 18 1 1 A 20 20 PHE H H 20 8.207 8.996 -0.789 1
1 145 . 18 1 1 A 20 20 PHE HA H 20 4.735 4.928 -0.193 1
1 153 . 18 1 1 A 20 20 PHE C C 20 175.997 175.087 0.910 1
1 154 . 18 1 1 A 20 20 PHE CA C 20 57.637 57.230 0.407 1
1 155 . 18 1 1 A 20 20 PHE CB C 20 43.683 43.018 0.665 1
1 161 . 18 1 1 A 20 20 PHE N N 20 116.189 120.416 -4.227 1
1 162 . 18 1 1 A 21 21 SER H H 21 9.247 8.887 0.360 1
1 163 . 18 1 1 A 21 21 SER HA H 21 4.557 4.760 -0.203 1
1 166 . 18 1 1 A 21 21 SER C C 21 173.988 173.657 0.331 1
1 167 . 18 1 1 A 21 21 SER CA C 21 59.854 57.810 2.044 1
1 168 . 18 1 1 A 21 21 SER CB C 21 63.994 63.302 0.692 1
1 169 . 18 1 1 A 21 21 SER N N 21 114.221 120.008 -5.787 1
1 170 . 18 1 1 A 22 22 SER H H 22 7.490 7.771 -0.281 1
1 171 . 18 1 1 A 22 22 SER HA H 22 4.473 4.505 -0.032 1
1 174 . 18 1 1 A 22 22 SER C C 22 173.228 173.727 -0.499 1
1 175 . 18 1 1 A 22 22 SER CA C 22 56.284 57.003 -0.719 1
1 176 . 18 1 1 A 22 22 SER CB C 22 66.196 64.875 1.321 1
1 177 . 18 1 1 A 22 22 SER N N 22 113.081 117.249 -4.168 1
1 178 . 18 1 1 A 23 23 LYS H H 23 8.298 8.066 0.232 1
1 179 . 18 1 1 A 23 23 LYS HA H 23 3.376 3.280 0.096 1
1 188 . 18 1 1 A 23 23 LYS C C 23 177.950 177.799 0.151 1
1 189 . 18 1 1 A 23 23 LYS CA C 23 58.783 59.450 -0.667 1
1 190 . 18 1 1 A 23 23 LYS CB C 23 31.851 31.851 0.000 1
1 194 . 18 1 1 A 23 23 LYS N N 23 124.483 126.011 -1.528 1
1 195 . 18 1 1 A 24 24 SER H H 24 8.124 7.829 0.295 1
1 196 . 18 1 1 A 24 24 SER HA H 24 3.971 3.998 -0.027 1
1 199 . 18 1 1 A 24 24 SER C C 24 176.849 176.465 0.384 1
1 200 . 18 1 1 A 24 24 SER CA C 24 61.969 62.188 -0.219 1
1 201 . 18 1 1 A 24 24 SER CB C 24 61.969 62.445 -0.476 1
1 202 . 18 1 1 A 24 24 SER N N 24 113.002 116.454 -3.452 1
1 203 . 18 1 1 A 25 25 TYR H H 25 7.305 8.003 -0.698 1
1 204 . 18 1 1 A 25 25 TYR HA H 25 4.325 4.300 0.025 1
1 211 . 18 1 1 A 25 25 TYR C C 25 178.583 177.843 0.740 1
1 212 . 18 1 1 A 25 25 TYR CA C 25 59.396 60.581 -1.185 1
1 213 . 18 1 1 A 25 25 TYR CB C 25 37.560 38.575 -1.015 1
1 218 . 18 1 1 A 25 25 TYR N N 25 119.444 120.203 -0.759 1
1 219 . 18 1 1 A 26 26 LEU H H 26 7.358 7.419 -0.061 1
1 220 . 18 1 1 A 26 26 LEU HA H 26 3.339 2.520 0.819 1
1 230 . 18 1 1 A 26 26 LEU C C 26 177.371 178.290 -0.919 1
1 231 . 18 1 1 A 26 26 LEU CA C 26 58.191 57.687 0.504 1
1 232 . 18 1 1 A 26 26 LEU CB C 26 40.695 41.602 -0.907 1
1 236 . 18 1 1 A 26 26 LEU N N 26 122.536 120.732 1.804 1
1 237 . 18 1 1 A 27 27 ILE H H 27 8.225 8.052 0.173 1
1 238 . 18 1 1 A 27 27 ILE HA H 27 3.778 3.601 0.177 1
1 248 . 18 1 1 A 27 27 ILE C C 27 179.086 178.433 0.653 1
1 249 . 18 1 1 A 27 27 ILE CA C 27 64.790 65.230 -0.440 1
1 250 . 18 1 1 A 27 27 ILE CB C 27 37.725 37.723 0.002 1
1 254 . 18 1 1 A 27 27 ILE N N 27 119.370 119.601 -0.231 1
1 255 . 18 1 1 A 28 28 VAL H H 28 7.394 8.402 -1.008 1
1 256 . 18 1 1 A 28 28 VAL HA H 28 3.507 3.540 -0.033 1
1 264 . 18 1 1 A 28 28 VAL C C 28 178.897 178.257 0.640 1
1 265 . 18 1 1 A 28 28 VAL CA C 28 66.606 66.325 0.281 1
1 266 . 18 1 1 A 28 28 VAL CB C 28 31.929 31.641 0.288 1
1 269 . 18 1 1 A 28 28 VAL N N 28 118.982 120.446 -1.464 1
1 270 . 18 1 1 A 29 29 HIS H H 29 7.587 8.092 -0.505 1
1 271 . 18 1 1 A 29 29 HIS HA H 29 4.134 4.213 -0.079 1
1 276 . 18 1 1 A 29 29 HIS C C 29 176.397 177.022 -0.625 1
1 277 . 18 1 1 A 29 29 HIS CA C 29 59.312 59.595 -0.283 1
1 278 . 18 1 1 A 29 29 HIS CB C 29 27.959 29.923 -1.964 1
1 281 . 18 1 1 A 29 29 HIS N N 29 119.908 119.470 0.438 1
1 282 . 18 1 1 A 30 30 GLN H H 30 8.502 8.482 0.020 1
1 283 . 18 1 1 A 30 30 GLN HA H 30 3.615 3.983 -0.368 1
1 290 . 18 1 1 A 30 30 GLN C C 30 177.427 178.609 -1.182 1
1 291 . 18 1 1 A 30 30 GLN CA C 30 59.579 59.309 0.270 1
1 292 . 18 1 1 A 30 30 GLN CB C 30 28.227 28.297 -0.070 1
1 294 . 18 1 1 A 30 30 GLN N N 30 115.041 117.337 -2.296 1
1 296 . 18 1 1 A 31 31 ARG H H 31 7.242 7.968 -0.726 1
1 297 . 18 1 1 A 31 31 ARG HA H 31 4.142 4.042 0.100 1
1 304 . 18 1 1 A 31 31 ARG C C 31 178.802 178.978 -0.176 1
1 305 . 18 1 1 A 31 31 ARG CA C 31 58.548 59.022 -0.474 1
1 306 . 18 1 1 A 31 31 ARG CB C 31 30.083 29.812 0.271 1
1 309 . 18 1 1 A 31 31 ARG N N 31 118.327 119.764 -1.437 1
1 310 . 18 1 1 A 32 32 ILE H H 32 7.871 8.185 -0.314 1
1 311 . 18 1 1 A 32 32 ILE HA H 32 3.947 3.737 0.210 1
1 321 . 18 1 1 A 32 32 ILE C C 32 177.496 177.569 -0.073 1
1 322 . 18 1 1 A 32 32 ILE CA C 32 63.124 63.690 -0.566 1
1 323 . 18 1 1 A 32 32 ILE CB C 32 37.609 37.211 0.398 1
1 327 . 18 1 1 A 32 32 ILE N N 32 116.287 118.215 -1.928 1
1 328 . 18 1 1 A 33 33 HIS H H 33 7.158 7.373 -0.215 1
1 329 . 18 1 1 A 33 33 HIS HA H 33 4.846 4.484 0.362 1
1 334 . 18 1 1 A 33 33 HIS C C 33 176.000 175.828 0.172 1
1 335 . 18 1 1 A 33 33 HIS CA C 33 55.125 58.965 -3.840 1
1 336 . 18 1 1 A 33 33 HIS CB C 33 28.536 30.407 -1.871 1
1 339 . 18 1 1 A 33 33 HIS N N 33 117.660 119.645 -1.985 1
1 340 . 18 1 1 A 34 34 THR H H 34 7.811 7.512 0.299 1
1 341 . 18 1 1 A 34 34 THR HA H 34 4.320 3.896 0.424 1
1 346 . 18 1 1 A 34 34 THR C C 34 175.641 175.607 0.034 1
1 347 . 18 1 1 A 34 34 THR CA C 34 62.869 63.583 -0.714 1
1 348 . 18 1 1 A 34 34 THR CB C 34 69.771 69.328 0.443 1
1 350 . 18 1 1 A 34 34 THR N N 34 112.089 113.074 -0.985 1
1 351 . 18 1 1 A 35 35 GLY H H 35 8.210 8.912 -0.702 1
1 352 . 18 1 1 A 35 35 GLY HA2 H 35 4.019 3.874 0.145 1
1 353 . 18 1 1 A 35 35 GLY HA3 H 35 3.944 3.877 0.067 1
1 354 . 18 1 1 A 35 35 GLY C C 35 174.359 174.998 -0.639 1
1 355 . 18 1 1 A 35 35 GLY CA C 35 45.494 46.128 -0.634 1
1 356 . 18 1 1 A 35 35 GLY N N 35 110.437 115.672 -5.235 1
1 357 . 18 1 1 A 36 36 GLU H H 36 8.085 7.922 0.163 1
1 358 . 18 1 1 A 36 36 GLU HA H 36 4.214 4.365 -0.151 1
1 363 . 18 1 1 A 36 36 GLU C C 36 176.485 176.171 0.314 1
1 364 . 18 1 1 A 36 36 GLU CA C 36 56.691 55.795 0.896 1
1 365 . 18 1 1 A 36 36 GLU CB C 36 30.455 29.999 0.456 1
1 367 . 18 1 1 A 36 36 GLU N N 36 120.789 119.318 1.471 1
1 368 . 18 1 1 A 37 37 LYS H H 37 8.316 8.329 -0.013 1
1 369 . 18 1 1 A 37 37 LYS HA H 37 4.313 4.264 0.049 1
1 378 . 18 1 1 A 37 37 LYS C C 37 176.554 175.707 0.847 1
1 379 . 18 1 1 A 37 37 LYS CA C 37 56.270 57.477 -1.207 1
1 380 . 18 1 1 A 37 37 LYS CB C 37 32.830 33.116 -0.286 1
1 384 . 18 1 1 A 37 37 LYS N N 37 122.204 125.882 -3.678 1
1 385 . 18 1 1 A 38 38 LEU H H 38 8.295 8.775 -0.480 1
1 386 . 18 1 1 A 38 38 LEU HA H 38 4.390 5.312 -0.922 1
1 396 . 18 1 1 A 38 38 LEU C C 38 177.408 175.245 2.163 1
1 397 . 18 1 1 A 38 38 LEU CA C 38 55.081 52.786 2.295 1
1 398 . 18 1 1 A 38 38 LEU CB C 38 42.248 45.610 -3.362 1
1 402 . 18 1 1 A 38 38 LEU N N 38 123.561 121.860 1.701 1
1 403 . 18 1 1 A 39 39 SER H H 39 8.293 8.758 -0.465 1
1 404 . 18 1 1 A 39 39 SER HA H 39 4.487 5.224 -0.737 1
1 407 . 18 1 1 A 39 39 SER C C 39 174.479 173.438 1.041 1
1 408 . 18 1 1 A 39 39 SER CA C 39 58.221 57.417 0.804 1
1 409 . 18 1 1 A 39 39 SER CB C 39 63.918 65.489 -1.571 1
1 410 . 18 1 1 A 39 39 SER N N 39 116.483 115.490 0.993 1
1 411 . 18 1 1 A 40 40 GLY H H 40 8.210 8.958 -0.748 1
1 412 . 18 1 1 A 40 40 GLY HA2 H 40 4.163 4.380 -0.217 1
1 413 . 18 1 1 A 40 40 GLY HA3 H 40 4.097 4.380 -0.283 1
1 414 . 18 1 1 A 40 40 GLY C C 40 171.732 171.889 -0.157 1
1 415 . 18 1 1 A 40 40 GLY CA C 40 44.672 44.488 0.184 1
1 416 . 18 1 1 A 40 40 GLY N N 40 110.630 112.987 -2.357 1
1 417 . 18 1 1 A 41 41 PRO HA H 41 4.476 4.658 -0.182 1
1 424 . 18 1 1 A 41 41 PRO C C 41 177.357 177.457 -0.100 1
1 425 . 18 1 1 A 41 41 PRO CA C 41 63.215 62.523 0.692 1
1 426 . 18 1 1 A 41 41 PRO CB C 41 32.212 31.228 0.984 1
1 429 . 18 1 1 A 42 42 SER H H 42 8.535 8.795 -0.260 1
1 430 . 18 1 1 A 42 42 SER HA H 42 4.470 4.395 0.075 1
1 433 . 18 1 1 A 42 42 SER C C 42 174.589 174.597 -0.008 1
1 434 . 18 1 1 A 42 42 SER CA C 42 58.435 60.991 -2.556 1
1 435 . 18 1 1 A 42 42 SER CB C 42 63.984 63.304 0.680 1
1 436 . 18 1 1 A 42 42 SER N N 42 116.375 120.807 -4.432 1
1 437 . 18 1 1 A 43 43 SER H H 43 8.303 7.875 0.428 1
1 438 . 18 1 1 A 43 43 SER HA H 43 4.457 4.539 -0.082 1
1 441 . 18 1 1 A 43 43 SER C C 43 173.896 175.694 -1.798 1
1 442 . 18 1 1 A 43 43 SER CA C 43 58.281 57.545 0.736 1
1 443 . 18 1 1 A 43 43 SER CB C 43 64.036 64.375 -0.339 1
1 444 . 18 1 1 A 43 43 SER N N 43 117.817 115.658 2.159 1
1 1 . 19 1 1 A 6 6 SER HA H 6 4.443 4.178 0.265 1
1 4 . 19 1 1 A 6 6 SER C C 6 174.977 175.427 -0.450 1
1 5 . 19 1 1 A 6 6 SER CA C 6 58.518 61.213 -2.695 1
1 6 . 19 1 1 A 6 6 SER CB C 6 63.628 63.323 0.305 1
1 7 . 19 1 1 A 7 7 GLY H H 7 8.375 7.723 0.652 1
1 8 . 19 1 1 A 7 7 GLY HA2 H 7 3.943 4.047 -0.104 1
1 9 . 19 1 1 A 7 7 GLY HA3 H 7 3.943 4.062 -0.119 1
1 10 . 19 1 1 A 7 7 GLY C C 7 174.013 172.440 1.573 1
1 11 . 19 1 1 A 7 7 GLY CA C 7 45.265 45.002 0.263 1
1 12 . 19 1 1 A 7 7 GLY N N 7 110.641 106.286 4.355 1
1 13 . 19 1 1 A 8 8 GLU H H 8 8.221 8.739 -0.518 1
1 14 . 19 1 1 A 8 8 GLU HA H 8 4.211 4.647 -0.436 1
1 19 . 19 1 1 A 8 8 GLU C C 8 176.367 175.409 0.958 1
1 20 . 19 1 1 A 8 8 GLU CA C 8 56.659 56.075 0.584 1
1 21 . 19 1 1 A 8 8 GLU CB C 8 30.440 32.418 -1.978 1
1 23 . 19 1 1 A 8 8 GLU N N 8 120.286 125.527 -5.241 1
1 24 . 19 1 1 A 9 9 LYS H H 9 8.366 8.886 -0.520 1
1 25 . 19 1 1 A 9 9 LYS HA H 9 4.523 4.099 0.424 1
1 34 . 19 1 1 A 9 9 LYS C C 9 174.265 176.422 -2.157 1
1 35 . 19 1 1 A 9 9 LYS CA C 9 53.760 56.853 -3.093 1
1 36 . 19 1 1 A 9 9 LYS CB C 9 32.697 30.296 2.401 1
1 40 . 19 1 1 A 9 9 LYS N N 9 122.243 126.641 -4.398 1
1 41 . 19 1 1 A 10 10 PRO HA H 10 4.279 4.418 -0.139 1
1 48 . 19 1 1 A 10 10 PRO C C 10 176.457 175.708 0.749 1
1 49 . 19 1 1 A 10 10 PRO CA C 10 63.415 64.749 -1.334 1
1 50 . 19 1 1 A 10 10 PRO CB C 10 32.074 31.569 0.505 1
1 53 . 19 1 1 A 11 11 TYR H H 11 8.273 7.607 0.666 1
1 54 . 19 1 1 A 11 11 TYR HA H 11 4.715 5.019 -0.304 1
1 61 . 19 1 1 A 11 11 TYR C C 11 174.995 175.799 -0.804 1
1 62 . 19 1 1 A 11 11 TYR CA C 11 56.584 56.347 0.237 1
1 63 . 19 1 1 A 11 11 TYR CB C 11 38.169 41.276 -3.107 1
1 68 . 19 1 1 A 11 11 TYR N N 11 118.862 118.954 -0.092 1
1 69 . 19 1 1 A 12 12 GLY H H 12 8.221 8.829 -0.608 1
1 70 . 19 1 1 A 12 12 GLY HA2 H 12 3.613 4.403 -0.790 1
1 71 . 19 1 1 A 12 12 GLY HA3 H 12 4.865 4.538 0.327 1
1 72 . 19 1 1 A 12 12 GLY C C 12 173.074 172.001 1.073 1
1 73 . 19 1 1 A 12 12 GLY CA C 12 44.870 45.869 -0.999 1
1 74 . 19 1 1 A 12 12 GLY N N 12 110.093 108.826 1.267 1
1 75 . 19 1 1 A 13 13 CYS H H 13 9.115 9.030 0.085 1
1 76 . 19 1 1 A 13 13 CYS HA H 13 4.665 4.957 -0.292 1
1 79 . 19 1 1 A 13 13 CYS C C 13 177.041 175.708 1.333 1
1 80 . 19 1 1 A 13 13 CYS CA C 13 58.883 57.797 1.086 1
1 81 . 19 1 1 A 13 13 CYS CB C 13 29.920 30.122 -0.202 1
1 82 . 19 1 1 A 13 13 CYS N N 13 123.945 118.306 5.639 1
1 83 . 19 1 1 A 14 14 ASN H H 14 9.374 9.013 0.361 1
1 84 . 19 1 1 A 14 14 ASN HA H 14 4.550 4.585 -0.035 1
1 89 . 19 1 1 A 14 14 ASN C C 14 175.484 177.373 -1.889 1
1 90 . 19 1 1 A 14 14 ASN CA C 14 55.420 55.809 -0.389 1
1 91 . 19 1 1 A 14 14 ASN CB C 14 38.238 37.551 0.687 1
1 92 . 19 1 1 A 14 14 ASN N N 14 129.983 126.227 3.756 1
1 94 . 19 1 1 A 15 15 GLU H H 15 8.645 8.336 0.309 1
1 95 . 19 1 1 A 15 15 GLU HA H 15 4.212 4.002 0.210 1
1 100 . 19 1 1 A 15 15 GLU C C 15 177.052 178.084 -1.032 1
1 101 . 19 1 1 A 15 15 GLU CA C 15 58.326 59.251 -0.925 1
1 102 . 19 1 1 A 15 15 GLU CB C 15 29.466 29.192 0.274 1
1 104 . 19 1 1 A 15 15 GLU N N 15 120.926 120.005 0.921 1
1 105 . 19 1 1 A 16 16 CYS H H 16 7.846 7.742 0.104 1
1 106 . 19 1 1 A 16 16 CYS HA H 16 5.144 4.639 0.505 1
1 109 . 19 1 1 A 16 16 CYS C C 16 176.147 175.505 0.642 1
1 110 . 19 1 1 A 16 16 CYS CA C 16 58.213 59.550 -1.337 1
1 111 . 19 1 1 A 16 16 CYS CB C 16 32.251 29.941 2.310 1
1 112 . 19 1 1 A 16 16 CYS N N 16 114.327 114.791 -0.464 1
1 113 . 19 1 1 A 17 17 GLY H H 17 8.188 8.045 0.143 1
1 114 . 19 1 1 A 17 17 GLY HA2 H 17 3.875 4.048 -0.173 1
1 115 . 19 1 1 A 17 17 GLY HA3 H 17 4.202 4.056 0.146 1
1 116 . 19 1 1 A 17 17 GLY C C 17 174.225 174.343 -0.118 1
1 117 . 19 1 1 A 17 17 GLY CA C 17 46.360 45.345 1.015 1
1 118 . 19 1 1 A 17 17 GLY N N 17 113.009 110.189 2.820 1
1 119 . 19 1 1 A 18 18 LYS H H 18 7.801 7.604 0.197 1
1 120 . 19 1 1 A 18 18 LYS HA H 18 4.087 4.650 -0.563 1
1 129 . 19 1 1 A 18 18 LYS C C 18 173.597 174.646 -1.049 1
1 130 . 19 1 1 A 18 18 LYS CA C 18 57.553 55.118 2.435 1
1 131 . 19 1 1 A 18 18 LYS CB C 18 34.123 34.401 -0.278 1
1 135 . 19 1 1 A 18 18 LYS N N 18 122.310 121.209 1.101 1
1 136 . 19 1 1 A 19 19 ASP H H 19 7.782 8.559 -0.777 1
1 137 . 19 1 1 A 19 19 ASP HA H 19 5.140 5.528 -0.388 1
1 140 . 19 1 1 A 19 19 ASP C C 19 174.660 174.160 0.500 1
1 141 . 19 1 1 A 19 19 ASP CA C 19 52.887 52.423 0.464 1
1 142 . 19 1 1 A 19 19 ASP CB C 19 43.759 44.396 -0.637 1
1 143 . 19 1 1 A 19 19 ASP N N 19 118.910 121.751 -2.841 1
1 144 . 19 1 1 A 20 20 PHE H H 20 8.207 8.931 -0.724 1
1 145 . 19 1 1 A 20 20 PHE HA H 20 4.735 4.931 -0.196 1
1 153 . 19 1 1 A 20 20 PHE C C 20 175.997 175.973 0.024 1
1 154 . 19 1 1 A 20 20 PHE CA C 20 57.637 56.834 0.803 1
1 155 . 19 1 1 A 20 20 PHE CB C 20 43.683 42.707 0.976 1
1 161 . 19 1 1 A 20 20 PHE N N 20 116.189 120.481 -4.292 1
1 162 . 19 1 1 A 21 21 SER H H 21 9.247 9.086 0.161 1
1 163 . 19 1 1 A 21 21 SER HA H 21 4.557 4.592 -0.035 1
1 166 . 19 1 1 A 21 21 SER C C 21 173.988 174.014 -0.026 1
1 167 . 19 1 1 A 21 21 SER CA C 21 59.854 61.213 -1.359 1
1 168 . 19 1 1 A 21 21 SER CB C 21 63.994 63.513 0.481 1
1 169 . 19 1 1 A 21 21 SER N N 21 114.221 118.413 -4.192 1
1 170 . 19 1 1 A 22 22 SER H H 22 7.490 8.106 -0.616 1
1 171 . 19 1 1 A 22 22 SER HA H 22 4.473 4.736 -0.263 1
1 174 . 19 1 1 A 22 22 SER C C 22 173.228 174.200 -0.972 1
1 175 . 19 1 1 A 22 22 SER CA C 22 56.284 56.595 -0.311 1
1 176 . 19 1 1 A 22 22 SER CB C 22 66.196 65.071 1.125 1
1 177 . 19 1 1 A 22 22 SER N N 22 113.081 115.885 -2.804 1
1 178 . 19 1 1 A 23 23 LYS H H 23 8.298 8.782 -0.484 1
1 179 . 19 1 1 A 23 23 LYS HA H 23 3.376 3.177 0.199 1
1 188 . 19 1 1 A 23 23 LYS C C 23 177.950 177.960 -0.010 1
1 189 . 19 1 1 A 23 23 LYS CA C 23 58.783 58.910 -0.127 1
1 190 . 19 1 1 A 23 23 LYS CB C 23 31.851 31.525 0.326 1
1 194 . 19 1 1 A 23 23 LYS N N 23 124.483 127.137 -2.654 1
1 195 . 19 1 1 A 24 24 SER H H 24 8.124 8.099 0.025 1
1 196 . 19 1 1 A 24 24 SER HA H 24 3.971 4.004 -0.033 1
1 199 . 19 1 1 A 24 24 SER C C 24 176.849 176.410 0.439 1
1 200 . 19 1 1 A 24 24 SER CA C 24 61.969 61.154 0.815 1
1 201 . 19 1 1 A 24 24 SER CB C 24 61.969 62.096 -0.127 1
1 202 . 19 1 1 A 24 24 SER N N 24 113.002 115.361 -2.359 1
1 203 . 19 1 1 A 25 25 TYR H H 25 7.305 7.714 -0.409 1
1 204 . 19 1 1 A 25 25 TYR HA H 25 4.325 4.277 0.048 1
1 211 . 19 1 1 A 25 25 TYR C C 25 178.583 178.002 0.581 1
1 212 . 19 1 1 A 25 25 TYR CA C 25 59.396 60.895 -1.499 1
1 213 . 19 1 1 A 25 25 TYR CB C 25 37.560 37.798 -0.238 1
1 218 . 19 1 1 A 25 25 TYR N N 25 119.444 119.383 0.061 1
1 219 . 19 1 1 A 26 26 LEU H H 26 7.358 7.646 -0.288 1
1 220 . 19 1 1 A 26 26 LEU HA H 26 3.339 3.144 0.195 1
1 230 . 19 1 1 A 26 26 LEU C C 26 177.371 178.137 -0.766 1
1 231 . 19 1 1 A 26 26 LEU CA C 26 58.191 57.584 0.607 1
1 232 . 19 1 1 A 26 26 LEU CB C 26 40.695 41.680 -0.985 1
1 236 . 19 1 1 A 26 26 LEU N N 26 122.536 121.081 1.455 1
1 237 . 19 1 1 A 27 27 ILE H H 27 8.225 7.823 0.402 1
1 238 . 19 1 1 A 27 27 ILE HA H 27 3.778 3.621 0.157 1
1 248 . 19 1 1 A 27 27 ILE C C 27 179.086 178.494 0.592 1
1 249 . 19 1 1 A 27 27 ILE CA C 27 64.790 65.107 -0.317 1
1 250 . 19 1 1 A 27 27 ILE CB C 27 37.725 37.504 0.221 1
1 254 . 19 1 1 A 27 27 ILE N N 27 119.370 119.880 -0.510 1
1 255 . 19 1 1 A 28 28 VAL H H 28 7.394 7.863 -0.469 1
1 256 . 19 1 1 A 28 28 VAL HA H 28 3.507 3.549 -0.042 1
1 264 . 19 1 1 A 28 28 VAL C C 28 178.897 178.166 0.731 1
1 265 . 19 1 1 A 28 28 VAL CA C 28 66.606 66.108 0.498 1
1 266 . 19 1 1 A 28 28 VAL CB C 28 31.929 31.763 0.166 1
1 269 . 19 1 1 A 28 28 VAL N N 28 118.982 121.483 -2.501 1
1 270 . 19 1 1 A 29 29 HIS H H 29 7.587 7.905 -0.318 1
1 271 . 19 1 1 A 29 29 HIS HA H 29 4.134 4.181 -0.047 1
1 276 . 19 1 1 A 29 29 HIS C C 29 176.397 177.041 -0.644 1
1 277 . 19 1 1 A 29 29 HIS CA C 29 59.312 59.612 -0.300 1
1 278 . 19 1 1 A 29 29 HIS CB C 29 27.959 29.734 -1.775 1
1 281 . 19 1 1 A 29 29 HIS N N 29 119.908 119.500 0.408 1
1 282 . 19 1 1 A 30 30 GLN H H 30 8.502 8.549 -0.047 1
1 283 . 19 1 1 A 30 30 GLN HA H 30 3.615 4.030 -0.415 1
1 290 . 19 1 1 A 30 30 GLN C C 30 177.427 178.680 -1.253 1
1 291 . 19 1 1 A 30 30 GLN CA C 30 59.579 59.403 0.176 1
1 292 . 19 1 1 A 30 30 GLN CB C 30 28.227 28.398 -0.171 1
1 294 . 19 1 1 A 30 30 GLN N N 30 115.041 117.360 -2.319 1
1 296 . 19 1 1 A 31 31 ARG H H 31 7.242 7.976 -0.734 1
1 297 . 19 1 1 A 31 31 ARG HA H 31 4.142 4.417 -0.275 1
1 304 . 19 1 1 A 31 31 ARG C C 31 178.802 179.092 -0.290 1
1 305 . 19 1 1 A 31 31 ARG CA C 31 58.548 59.054 -0.506 1
1 306 . 19 1 1 A 31 31 ARG CB C 31 30.083 29.835 0.248 1
1 309 . 19 1 1 A 31 31 ARG N N 31 118.327 120.021 -1.694 1
1 310 . 19 1 1 A 32 32 ILE H H 32 7.871 8.109 -0.238 1
1 311 . 19 1 1 A 32 32 ILE HA H 32 3.947 3.769 0.178 1
1 321 . 19 1 1 A 32 32 ILE C C 32 177.496 176.829 0.667 1
1 322 . 19 1 1 A 32 32 ILE CA C 32 63.124 63.219 -0.095 1
1 323 . 19 1 1 A 32 32 ILE CB C 32 37.609 37.305 0.304 1
1 327 . 19 1 1 A 32 32 ILE N N 32 116.287 117.382 -1.095 1
1 328 . 19 1 1 A 33 33 HIS H H 33 7.158 7.695 -0.537 1
1 329 . 19 1 1 A 33 33 HIS HA H 33 4.846 4.614 0.232 1
1 334 . 19 1 1 A 33 33 HIS C C 33 176.000 175.220 0.780 1
1 335 . 19 1 1 A 33 33 HIS CA C 33 55.125 57.033 -1.908 1
1 336 . 19 1 1 A 33 33 HIS CB C 33 28.536 31.562 -3.026 1
1 339 . 19 1 1 A 33 33 HIS N N 33 117.660 118.967 -1.307 1
1 340 . 19 1 1 A 34 34 THR H H 34 7.811 7.683 0.128 1
1 341 . 19 1 1 A 34 34 THR HA H 34 4.320 4.187 0.133 1
1 346 . 19 1 1 A 34 34 THR C C 34 175.641 174.182 1.459 1
1 347 . 19 1 1 A 34 34 THR CA C 34 62.869 61.778 1.091 1
1 348 . 19 1 1 A 34 34 THR CB C 34 69.771 70.177 -0.406 1
1 350 . 19 1 1 A 34 34 THR N N 34 112.089 111.935 0.154 1
1 351 . 19 1 1 A 35 35 GLY H H 35 8.210 8.321 -0.111 1
1 352 . 19 1 1 A 35 35 GLY HA2 H 35 4.019 4.095 -0.076 1
1 353 . 19 1 1 A 35 35 GLY HA3 H 35 3.944 4.100 -0.156 1
1 354 . 19 1 1 A 35 35 GLY C C 35 174.359 175.149 -0.790 1
1 355 . 19 1 1 A 35 35 GLY CA C 35 45.494 45.718 -0.224 1
1 356 . 19 1 1 A 35 35 GLY N N 35 110.437 110.040 0.397 1
1 357 . 19 1 1 A 36 36 GLU H H 36 8.085 8.304 -0.219 1
1 358 . 19 1 1 A 36 36 GLU HA H 36 4.214 4.012 0.202 1
1 363 . 19 1 1 A 36 36 GLU C C 36 176.485 175.642 0.843 1
1 364 . 19 1 1 A 36 36 GLU CA C 36 56.691 57.390 -0.699 1
1 365 . 19 1 1 A 36 36 GLU CB C 36 30.455 28.391 2.064 1
1 367 . 19 1 1 A 36 36 GLU N N 36 120.789 119.726 1.063 1
1 368 . 19 1 1 A 37 37 LYS H H 37 8.316 8.668 -0.352 1
1 369 . 19 1 1 A 37 37 LYS HA H 37 4.313 4.001 0.312 1
1 378 . 19 1 1 A 37 37 LYS C C 37 176.554 175.972 0.582 1
1 379 . 19 1 1 A 37 37 LYS CA C 37 56.270 57.145 -0.875 1
1 380 . 19 1 1 A 37 37 LYS CB C 37 32.830 30.216 2.614 1
1 384 . 19 1 1 A 37 37 LYS N N 37 122.204 117.079 5.125 1
1 385 . 19 1 1 A 38 38 LEU H H 38 8.295 7.712 0.583 1
1 386 . 19 1 1 A 38 38 LEU HA H 38 4.390 4.598 -0.208 1
1 396 . 19 1 1 A 38 38 LEU C C 38 177.408 176.153 1.255 1
1 397 . 19 1 1 A 38 38 LEU CA C 38 55.081 53.577 1.504 1
1 398 . 19 1 1 A 38 38 LEU CB C 38 42.248 43.524 -1.276 1
1 402 . 19 1 1 A 38 38 LEU N N 38 123.561 122.567 0.994 1
1 403 . 19 1 1 A 39 39 SER H H 39 8.293 9.014 -0.721 1
1 404 . 19 1 1 A 39 39 SER HA H 39 4.487 4.069 0.418 1
1 407 . 19 1 1 A 39 39 SER C C 39 174.479 173.673 0.806 1
1 408 . 19 1 1 A 39 39 SER CA C 39 58.221 59.174 -0.953 1
1 409 . 19 1 1 A 39 39 SER CB C 39 63.918 61.819 2.099 1
1 410 . 19 1 1 A 39 39 SER N N 39 116.483 121.901 -5.418 1
1 411 . 19 1 1 A 40 40 GLY H H 40 8.210 7.979 0.231 1
1 412 . 19 1 1 A 40 40 GLY HA2 H 40 4.163 4.116 0.047 1
1 413 . 19 1 1 A 40 40 GLY HA3 H 40 4.097 4.116 -0.019 1
1 414 . 19 1 1 A 40 40 GLY C C 40 171.732 172.476 -0.744 1
1 415 . 19 1 1 A 40 40 GLY CA C 40 44.672 45.654 -0.982 1
1 416 . 19 1 1 A 40 40 GLY N N 40 110.630 107.105 3.525 1
1 417 . 19 1 1 A 41 41 PRO HA H 41 4.476 4.627 -0.151 1
1 424 . 19 1 1 A 41 41 PRO C C 41 177.357 177.511 -0.154 1
1 425 . 19 1 1 A 41 41 PRO CA C 41 63.215 62.789 0.426 1
1 426 . 19 1 1 A 41 41 PRO CB C 41 32.212 31.645 0.567 1
1 429 . 19 1 1 A 42 42 SER H H 42 8.535 8.951 -0.416 1
1 430 . 19 1 1 A 42 42 SER HA H 42 4.470 4.297 0.173 1
1 433 . 19 1 1 A 42 42 SER C C 42 174.589 176.565 -1.976 1
1 434 . 19 1 1 A 42 42 SER CA C 42 58.435 61.313 -2.878 1
1 435 . 19 1 1 A 42 42 SER CB C 42 63.984 62.985 0.999 1
1 436 . 19 1 1 A 42 42 SER N N 42 116.375 121.442 -5.067 1
1 437 . 19 1 1 A 43 43 SER H H 43 8.303 7.986 0.317 1
1 438 . 19 1 1 A 43 43 SER HA H 43 4.457 4.204 0.253 1
1 441 . 19 1 1 A 43 43 SER C C 43 173.896 175.154 -1.258 1
1 442 . 19 1 1 A 43 43 SER CA C 43 58.281 60.837 -2.556 1
1 443 . 19 1 1 A 43 43 SER CB C 43 64.036 63.695 0.341 1
1 444 . 19 1 1 A 43 43 SER N N 43 117.817 115.922 1.895 1
1 1 . 20 1 1 A 6 6 SER HA H 6 4.443 4.482 -0.039 1
1 4 . 20 1 1 A 6 6 SER C C 6 174.977 174.595 0.382 1
1 5 . 20 1 1 A 6 6 SER CA C 6 58.518 58.877 -0.359 1
1 6 . 20 1 1 A 6 6 SER CB C 6 63.628 63.714 -0.086 1
1 7 . 20 1 1 A 7 7 GLY H H 7 8.375 8.462 -0.087 1
1 8 . 20 1 1 A 7 7 GLY HA2 H 7 3.943 4.169 -0.226 1
1 9 . 20 1 1 A 7 7 GLY HA3 H 7 3.943 4.202 -0.259 1
1 10 . 20 1 1 A 7 7 GLY C C 7 174.013 172.663 1.350 1
1 11 . 20 1 1 A 7 7 GLY CA C 7 45.265 44.785 0.480 1
1 12 . 20 1 1 A 7 7 GLY N N 7 110.641 111.837 -1.196 1
1 13 . 20 1 1 A 8 8 GLU H H 8 8.221 8.956 -0.735 1
1 14 . 20 1 1 A 8 8 GLU HA H 8 4.211 4.661 -0.450 1
1 19 . 20 1 1 A 8 8 GLU C C 8 176.367 176.153 0.214 1
1 20 . 20 1 1 A 8 8 GLU CA C 8 56.659 54.881 1.778 1
1 21 . 20 1 1 A 8 8 GLU CB C 8 30.440 28.715 1.725 1
1 23 . 20 1 1 A 8 8 GLU N N 8 120.286 124.502 -4.216 1
1 24 . 20 1 1 A 9 9 LYS H H 9 8.366 8.479 -0.113 1
1 25 . 20 1 1 A 9 9 LYS HA H 9 4.523 4.000 0.523 1
1 34 . 20 1 1 A 9 9 LYS C C 9 174.265 176.613 -2.348 1
1 35 . 20 1 1 A 9 9 LYS CA C 9 53.760 56.894 -3.134 1
1 36 . 20 1 1 A 9 9 LYS CB C 9 32.697 30.470 2.227 1
1 40 . 20 1 1 A 9 9 LYS N N 9 122.243 122.071 0.172 1
1 41 . 20 1 1 A 10 10 PRO HA H 10 4.279 4.468 -0.189 1
1 48 . 20 1 1 A 10 10 PRO C C 10 176.457 175.835 0.622 1
1 49 . 20 1 1 A 10 10 PRO CA C 10 63.415 64.925 -1.510 1
1 50 . 20 1 1 A 10 10 PRO CB C 10 32.074 31.670 0.404 1
1 53 . 20 1 1 A 11 11 TYR H H 11 8.273 7.809 0.464 1
1 54 . 20 1 1 A 11 11 TYR HA H 11 4.715 5.010 -0.295 1
1 61 . 20 1 1 A 11 11 TYR C C 11 174.995 175.864 -0.869 1
1 62 . 20 1 1 A 11 11 TYR CA C 11 56.584 56.545 0.039 1
1 63 . 20 1 1 A 11 11 TYR CB C 11 38.169 41.087 -2.918 1
1 68 . 20 1 1 A 11 11 TYR N N 11 118.862 118.759 0.103 1
1 69 . 20 1 1 A 12 12 GLY H H 12 8.221 8.821 -0.600 1
1 70 . 20 1 1 A 12 12 GLY HA2 H 12 3.613 4.444 -0.831 1
1 71 . 20 1 1 A 12 12 GLY HA3 H 12 4.865 4.565 0.300 1
1 72 . 20 1 1 A 12 12 GLY C C 12 173.074 172.127 0.947 1
1 73 . 20 1 1 A 12 12 GLY CA C 12 44.870 45.636 -0.766 1
1 74 . 20 1 1 A 12 12 GLY N N 12 110.093 109.768 0.325 1
1 75 . 20 1 1 A 13 13 CYS H H 13 9.115 8.908 0.207 1
1 76 . 20 1 1 A 13 13 CYS HA H 13 4.665 5.005 -0.340 1
1 79 . 20 1 1 A 13 13 CYS C C 13 177.041 175.861 1.180 1
1 80 . 20 1 1 A 13 13 CYS CA C 13 58.883 58.287 0.596 1
1 81 . 20 1 1 A 13 13 CYS CB C 13 29.920 29.597 0.323 1
1 82 . 20 1 1 A 13 13 CYS N N 13 123.945 118.897 5.048 1
1 83 . 20 1 1 A 14 14 ASN H H 14 9.374 9.004 0.370 1
1 84 . 20 1 1 A 14 14 ASN HA H 14 4.550 5.004 -0.454 1
1 89 . 20 1 1 A 14 14 ASN C C 14 175.484 176.037 -0.553 1
1 90 . 20 1 1 A 14 14 ASN CA C 14 55.420 52.212 3.208 1
1 91 . 20 1 1 A 14 14 ASN CB C 14 38.238 38.797 -0.559 1
1 92 . 20 1 1 A 14 14 ASN N N 14 129.983 126.499 3.484 1
1 94 . 20 1 1 A 15 15 GLU H H 15 8.645 7.536 1.109 1
1 95 . 20 1 1 A 15 15 GLU HA H 15 4.212 4.464 -0.252 1
1 100 . 20 1 1 A 15 15 GLU C C 15 177.052 177.922 -0.870 1
1 101 . 20 1 1 A 15 15 GLU CA C 15 58.326 56.961 1.365 1
1 102 . 20 1 1 A 15 15 GLU CB C 15 29.466 31.391 -1.925 1
1 104 . 20 1 1 A 15 15 GLU N N 15 120.926 120.359 0.567 1
1 105 . 20 1 1 A 16 16 CYS H H 16 7.846 7.900 -0.054 1
1 106 . 20 1 1 A 16 16 CYS HA H 16 5.144 4.681 0.463 1
1 109 . 20 1 1 A 16 16 CYS C C 16 176.147 175.589 0.558 1
1 110 . 20 1 1 A 16 16 CYS CA C 16 58.213 59.460 -1.247 1
1 111 . 20 1 1 A 16 16 CYS CB C 16 32.251 30.232 2.019 1
1 112 . 20 1 1 A 16 16 CYS N N 16 114.327 114.735 -0.408 1
1 113 . 20 1 1 A 17 17 GLY H H 17 8.188 7.939 0.249 1
1 114 . 20 1 1 A 17 17 GLY HA2 H 17 3.875 4.068 -0.193 1
1 115 . 20 1 1 A 17 17 GLY HA3 H 17 4.202 4.073 0.129 1
1 116 . 20 1 1 A 17 17 GLY C C 17 174.225 174.602 -0.377 1
1 117 . 20 1 1 A 17 17 GLY CA C 17 46.360 44.870 1.490 1
1 118 . 20 1 1 A 17 17 GLY N N 17 113.009 109.743 3.266 1
1 119 . 20 1 1 A 18 18 LYS H H 18 7.801 7.471 0.330 1
1 120 . 20 1 1 A 18 18 LYS HA H 18 4.087 4.143 -0.056 1
1 129 . 20 1 1 A 18 18 LYS C C 18 173.597 174.915 -1.318 1
1 130 . 20 1 1 A 18 18 LYS CA C 18 57.553 55.933 1.620 1
1 131 . 20 1 1 A 18 18 LYS CB C 18 34.123 33.405 0.718 1
1 135 . 20 1 1 A 18 18 LYS N N 18 122.310 122.435 -0.125 1
1 136 . 20 1 1 A 19 19 ASP H H 19 7.782 8.110 -0.328 1
1 137 . 20 1 1 A 19 19 ASP HA H 19 5.140 5.337 -0.197 1
1 140 . 20 1 1 A 19 19 ASP C C 19 174.660 173.923 0.737 1
1 141 . 20 1 1 A 19 19 ASP CA C 19 52.887 52.128 0.759 1
1 142 . 20 1 1 A 19 19 ASP CB C 19 43.759 44.587 -0.828 1
1 143 . 20 1 1 A 19 19 ASP N N 19 118.910 122.509 -3.599 1
1 144 . 20 1 1 A 20 20 PHE H H 20 8.207 8.917 -0.710 1
1 145 . 20 1 1 A 20 20 PHE HA H 20 4.735 5.014 -0.279 1
1 153 . 20 1 1 A 20 20 PHE C C 20 175.997 175.767 0.230 1
1 154 . 20 1 1 A 20 20 PHE CA C 20 57.637 56.894 0.743 1
1 155 . 20 1 1 A 20 20 PHE CB C 20 43.683 43.960 -0.277 1
1 161 . 20 1 1 A 20 20 PHE N N 20 116.189 118.611 -2.422 1
1 162 . 20 1 1 A 21 21 SER H H 21 9.247 9.032 0.215 1
1 163 . 20 1 1 A 21 21 SER HA H 21 4.557 4.615 -0.058 1
1 166 . 20 1 1 A 21 21 SER C C 21 173.988 173.624 0.364 1
1 167 . 20 1 1 A 21 21 SER CA C 21 59.854 59.791 0.063 1
1 168 . 20 1 1 A 21 21 SER CB C 21 63.994 64.411 -0.417 1
1 169 . 20 1 1 A 21 21 SER N N 21 114.221 118.412 -4.191 1
1 170 . 20 1 1 A 22 22 SER H H 22 7.490 8.026 -0.536 1
1 171 . 20 1 1 A 22 22 SER HA H 22 4.473 4.715 -0.242 1
1 174 . 20 1 1 A 22 22 SER C C 22 173.228 173.555 -0.327 1
1 175 . 20 1 1 A 22 22 SER CA C 22 56.284 55.900 0.384 1
1 176 . 20 1 1 A 22 22 SER CB C 22 66.196 65.602 0.594 1
1 177 . 20 1 1 A 22 22 SER N N 22 113.081 115.825 -2.744 1
1 178 . 20 1 1 A 23 23 LYS H H 23 8.298 8.475 -0.177 1
1 179 . 20 1 1 A 23 23 LYS HA H 23 3.376 3.312 0.064 1
1 188 . 20 1 1 A 23 23 LYS C C 23 177.950 178.013 -0.063 1
1 189 . 20 1 1 A 23 23 LYS CA C 23 58.783 57.887 0.896 1
1 190 . 20 1 1 A 23 23 LYS CB C 23 31.851 32.076 -0.225 1
1 194 . 20 1 1 A 23 23 LYS N N 23 124.483 125.403 -0.920 1
1 195 . 20 1 1 A 24 24 SER H H 24 8.124 8.086 0.038 1
1 196 . 20 1 1 A 24 24 SER HA H 24 3.971 4.031 -0.060 1
1 199 . 20 1 1 A 24 24 SER C C 24 176.849 176.286 0.563 1
1 200 . 20 1 1 A 24 24 SER CA C 24 61.969 60.994 0.975 1
1 201 . 20 1 1 A 24 24 SER CB C 24 61.969 62.093 -0.124 1
1 202 . 20 1 1 A 24 24 SER N N 24 113.002 115.512 -2.510 1
1 203 . 20 1 1 A 25 25 TYR H H 25 7.305 7.928 -0.623 1
1 204 . 20 1 1 A 25 25 TYR HA H 25 4.325 4.302 0.023 1
1 211 . 20 1 1 A 25 25 TYR C C 25 178.583 177.897 0.686 1
1 212 . 20 1 1 A 25 25 TYR CA C 25 59.396 60.420 -1.024 1
1 213 . 20 1 1 A 25 25 TYR CB C 25 37.560 37.692 -0.132 1
1 218 . 20 1 1 A 25 25 TYR N N 25 119.444 119.283 0.161 1
1 219 . 20 1 1 A 26 26 LEU H H 26 7.358 7.813 -0.455 1
1 220 . 20 1 1 A 26 26 LEU HA H 26 3.339 3.008 0.331 1
1 230 . 20 1 1 A 26 26 LEU C C 26 177.371 178.509 -1.138 1
1 231 . 20 1 1 A 26 26 LEU CA C 26 58.191 57.616 0.575 1
1 232 . 20 1 1 A 26 26 LEU CB C 26 40.695 41.585 -0.890 1
1 236 . 20 1 1 A 26 26 LEU N N 26 122.536 120.527 2.009 1
1 237 . 20 1 1 A 27 27 ILE H H 27 8.225 7.908 0.317 1
1 238 . 20 1 1 A 27 27 ILE HA H 27 3.778 3.639 0.139 1
1 248 . 20 1 1 A 27 27 ILE C C 27 179.086 178.612 0.474 1
1 249 . 20 1 1 A 27 27 ILE CA C 27 64.790 65.112 -0.322 1
1 250 . 20 1 1 A 27 27 ILE CB C 27 37.725 37.588 0.137 1
1 254 . 20 1 1 A 27 27 ILE N N 27 119.370 119.710 -0.340 1
1 255 . 20 1 1 A 28 28 VAL H H 28 7.394 8.043 -0.649 1
1 256 . 20 1 1 A 28 28 VAL HA H 28 3.507 3.522 -0.015 1
1 264 . 20 1 1 A 28 28 VAL C C 28 178.897 178.182 0.715 1
1 265 . 20 1 1 A 28 28 VAL CA C 28 66.606 66.199 0.407 1
1 266 . 20 1 1 A 28 28 VAL CB C 28 31.929 31.736 0.193 1
1 269 . 20 1 1 A 28 28 VAL N N 28 118.982 121.092 -2.110 1
1 270 . 20 1 1 A 29 29 HIS H H 29 7.587 7.971 -0.384 1
1 271 . 20 1 1 A 29 29 HIS HA H 29 4.134 4.215 -0.081 1
1 276 . 20 1 1 A 29 29 HIS C C 29 176.397 177.263 -0.866 1
1 277 . 20 1 1 A 29 29 HIS CA C 29 59.312 59.961 -0.649 1
1 278 . 20 1 1 A 29 29 HIS CB C 29 27.959 29.758 -1.799 1
1 281 . 20 1 1 A 29 29 HIS N N 29 119.908 119.343 0.565 1
1 282 . 20 1 1 A 30 30 GLN H H 30 8.502 8.525 -0.023 1
1 283 . 20 1 1 A 30 30 GLN HA H 30 3.615 4.022 -0.407 1
1 290 . 20 1 1 A 30 30 GLN C C 30 177.427 178.944 -1.517 1
1 291 . 20 1 1 A 30 30 GLN CA C 30 59.579 59.163 0.416 1
1 292 . 20 1 1 A 30 30 GLN CB C 30 28.227 28.368 -0.141 1
1 294 . 20 1 1 A 30 30 GLN N N 30 115.041 117.471 -2.430 1
1 296 . 20 1 1 A 31 31 ARG H H 31 7.242 7.905 -0.663 1
1 297 . 20 1 1 A 31 31 ARG HA H 31 4.142 4.143 -0.001 1
1 304 . 20 1 1 A 31 31 ARG C C 31 178.802 179.222 -0.420 1
1 305 . 20 1 1 A 31 31 ARG CA C 31 58.548 59.145 -0.597 1
1 306 . 20 1 1 A 31 31 ARG CB C 31 30.083 30.104 -0.021 1
1 309 . 20 1 1 A 31 31 ARG N N 31 118.327 119.689 -1.362 1
1 310 . 20 1 1 A 32 32 ILE H H 32 7.871 7.972 -0.101 1
1 311 . 20 1 1 A 32 32 ILE HA H 32 3.947 3.876 0.071 1
1 321 . 20 1 1 A 32 32 ILE C C 32 177.496 176.800 0.696 1
1 322 . 20 1 1 A 32 32 ILE CA C 32 63.124 62.916 0.208 1
1 323 . 20 1 1 A 32 32 ILE CB C 32 37.609 37.231 0.378 1
1 327 . 20 1 1 A 32 32 ILE N N 32 116.287 117.084 -0.797 1
1 328 . 20 1 1 A 33 33 HIS H H 33 7.158 7.641 -0.483 1
1 329 . 20 1 1 A 33 33 HIS HA H 33 4.846 4.578 0.268 1
1 334 . 20 1 1 A 33 33 HIS C C 33 176.000 175.291 0.709 1
1 335 . 20 1 1 A 33 33 HIS CA C 33 55.125 57.084 -1.959 1
1 336 . 20 1 1 A 33 33 HIS CB C 33 28.536 31.472 -2.936 1
1 339 . 20 1 1 A 33 33 HIS N N 33 117.660 118.860 -1.200 1
1 340 . 20 1 1 A 34 34 THR H H 34 7.811 7.500 0.311 1
1 341 . 20 1 1 A 34 34 THR HA H 34 4.320 4.157 0.163 1
1 346 . 20 1 1 A 34 34 THR C C 34 175.641 174.867 0.774 1
1 347 . 20 1 1 A 34 34 THR CA C 34 62.869 62.359 0.510 1
1 348 . 20 1 1 A 34 34 THR CB C 34 69.771 69.524 0.247 1
1 350 . 20 1 1 A 34 34 THR N N 34 112.089 112.040 0.049 1
1 351 . 20 1 1 A 35 35 GLY H H 35 8.210 8.620 -0.410 1
1 352 . 20 1 1 A 35 35 GLY HA2 H 35 4.019 3.978 0.041 1
1 353 . 20 1 1 A 35 35 GLY HA3 H 35 3.944 3.981 -0.037 1
1 354 . 20 1 1 A 35 35 GLY C C 35 174.359 173.969 0.390 1
1 355 . 20 1 1 A 35 35 GLY CA C 35 45.494 47.048 -1.554 1
1 356 . 20 1 1 A 35 35 GLY N N 35 110.437 110.014 0.423 1
1 357 . 20 1 1 A 36 36 GLU H H 36 8.085 8.216 -0.131 1
1 358 . 20 1 1 A 36 36 GLU HA H 36 4.214 4.620 -0.406 1
1 363 . 20 1 1 A 36 36 GLU C C 36 176.485 178.108 -1.623 1
1 364 . 20 1 1 A 36 36 GLU CA C 36 56.691 57.676 -0.985 1
1 365 . 20 1 1 A 36 36 GLU CB C 36 30.455 31.641 -1.186 1
1 367 . 20 1 1 A 36 36 GLU N N 36 120.789 124.041 -3.252 1
1 368 . 20 1 1 A 37 37 LYS H H 37 8.316 8.200 0.116 1
1 369 . 20 1 1 A 37 37 LYS HA H 37 4.313 3.974 0.339 1
1 378 . 20 1 1 A 37 37 LYS C C 37 176.554 177.664 -1.110 1
1 379 . 20 1 1 A 37 37 LYS CA C 37 56.270 59.671 -3.401 1
1 380 . 20 1 1 A 37 37 LYS CB C 37 32.830 32.245 0.585 1
1 384 . 20 1 1 A 37 37 LYS N N 37 122.204 120.086 2.118 1
1 385 . 20 1 1 A 38 38 LEU H H 38 8.295 7.470 0.825 1
1 386 . 20 1 1 A 38 38 LEU HA H 38 4.390 4.144 0.246 1
1 396 . 20 1 1 A 38 38 LEU C C 38 177.408 176.103 1.305 1
1 397 . 20 1 1 A 38 38 LEU CA C 38 55.081 55.905 -0.824 1
1 398 . 20 1 1 A 38 38 LEU CB C 38 42.248 42.921 -0.673 1
1 402 . 20 1 1 A 38 38 LEU N N 38 123.561 120.932 2.629 1
1 403 . 20 1 1 A 39 39 SER H H 39 8.293 8.599 -0.306 1
1 404 . 20 1 1 A 39 39 SER HA H 39 4.487 4.583 -0.096 1
1 407 . 20 1 1 A 39 39 SER C C 39 174.479 175.030 -0.551 1
1 408 . 20 1 1 A 39 39 SER CA C 39 58.221 58.046 0.175 1
1 409 . 20 1 1 A 39 39 SER CB C 39 63.918 62.788 1.130 1
1 410 . 20 1 1 A 39 39 SER N N 39 116.483 119.706 -3.223 1
1 411 . 20 1 1 A 40 40 GLY H H 40 8.210 8.267 -0.057 1
1 412 . 20 1 1 A 40 40 GLY HA2 H 40 4.163 4.254 -0.091 1
1 413 . 20 1 1 A 40 40 GLY HA3 H 40 4.097 4.254 -0.157 1
1 414 . 20 1 1 A 40 40 GLY C C 40 171.732 172.254 -0.522 1
1 415 . 20 1 1 A 40 40 GLY CA C 40 44.672 43.763 0.909 1
1 416 . 20 1 1 A 40 40 GLY N N 40 110.630 111.452 -0.822 1
1 417 . 20 1 1 A 41 41 PRO HA H 41 4.476 4.661 -0.185 1
1 424 . 20 1 1 A 41 41 PRO C C 41 177.357 177.440 -0.083 1
1 425 . 20 1 1 A 41 41 PRO CA C 41 63.215 62.213 1.002 1
1 426 . 20 1 1 A 41 41 PRO CB C 41 32.212 29.529 2.683 1
1 429 . 20 1 1 A 42 42 SER H H 42 8.535 8.403 0.132 1
1 430 . 20 1 1 A 42 42 SER HA H 42 4.470 4.134 0.336 1
1 433 . 20 1 1 A 42 42 SER C C 42 174.589 174.489 0.100 1
1 434 . 20 1 1 A 42 42 SER CA C 42 58.435 61.716 -3.281 1
1 435 . 20 1 1 A 42 42 SER CB C 42 63.984 62.991 0.993 1
1 436 . 20 1 1 A 42 42 SER N N 42 116.375 119.779 -3.404 1
1 437 . 20 1 1 A 43 43 SER H H 43 8.303 8.109 0.194 1
1 438 . 20 1 1 A 43 43 SER HA H 43 4.457 4.212 0.245 1
1 441 . 20 1 1 A 43 43 SER C C 43 173.896 173.862 0.034 1
1 442 . 20 1 1 A 43 43 SER CA C 43 58.281 59.534 -1.253 1
1 443 . 20 1 1 A 43 43 SER CB C 43 64.036 61.513 2.523 1
1 444 . 20 1 1 A 43 43 SER N N 43 117.817 113.293 4.524 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 38 1.070 1
2 1 1 1 "RMS(OBS, PRED)" CA 38 1.497 1
3 1 1 1 "RMS(OBS, PRED)" CB 33 1.097 1
4 1 1 1 "RMS(OBS, PRED)" H 35 0.444 1
5 1 1 1 "RMS(OBS, PRED)" HA 43 0.313 1
6 1 1 1 "RMS(OBS, PRED)" N 35 2.685 1
7 1 2 1 "RMS(OBS, PRED)" C 38 0.894 1
8 1 2 1 "RMS(OBS, PRED)" CA 38 1.361 1
9 1 2 1 "RMS(OBS, PRED)" CB 33 1.223 1
10 1 2 1 "RMS(OBS, PRED)" H 35 0.430 1
11 1 2 1 "RMS(OBS, PRED)" HA 43 0.328 1
12 1 2 1 "RMS(OBS, PRED)" N 35 3.094 1
13 1 3 1 "RMS(OBS, PRED)" C 38 1.002 1
14 1 3 1 "RMS(OBS, PRED)" CA 38 1.187 1
15 1 3 1 "RMS(OBS, PRED)" CB 33 1.334 1
16 1 3 1 "RMS(OBS, PRED)" H 35 0.445 1
17 1 3 1 "RMS(OBS, PRED)" HA 43 0.348 1
18 1 3 1 "RMS(OBS, PRED)" N 35 2.194 1
19 1 4 1 "RMS(OBS, PRED)" C 38 0.907 1
20 1 4 1 "RMS(OBS, PRED)" CA 38 1.395 1
21 1 4 1 "RMS(OBS, PRED)" CB 33 1.451 1
22 1 4 1 "RMS(OBS, PRED)" H 35 0.475 1
23 1 4 1 "RMS(OBS, PRED)" HA 43 0.328 1
24 1 4 1 "RMS(OBS, PRED)" N 35 2.683 1
25 1 5 1 "RMS(OBS, PRED)" C 38 1.065 1
26 1 5 1 "RMS(OBS, PRED)" CA 38 1.147 1
27 1 5 1 "RMS(OBS, PRED)" CB 33 1.383 1
28 1 5 1 "RMS(OBS, PRED)" H 35 0.460 1
29 1 5 1 "RMS(OBS, PRED)" HA 43 0.285 1
30 1 5 1 "RMS(OBS, PRED)" N 35 3.049 1
31 1 6 1 "RMS(OBS, PRED)" C 38 1.034 1
32 1 6 1 "RMS(OBS, PRED)" CA 38 1.087 1
33 1 6 1 "RMS(OBS, PRED)" CB 33 1.429 1
34 1 6 1 "RMS(OBS, PRED)" H 35 0.442 1
35 1 6 1 "RMS(OBS, PRED)" HA 43 0.285 1
36 1 6 1 "RMS(OBS, PRED)" N 35 2.661 1
37 1 7 1 "RMS(OBS, PRED)" C 38 1.040 1
38 1 7 1 "RMS(OBS, PRED)" CA 38 1.163 1
39 1 7 1 "RMS(OBS, PRED)" CB 33 1.173 1
40 1 7 1 "RMS(OBS, PRED)" H 35 0.455 1
41 1 7 1 "RMS(OBS, PRED)" HA 43 0.337 1
42 1 7 1 "RMS(OBS, PRED)" N 35 2.617 1
43 1 8 1 "RMS(OBS, PRED)" C 38 1.056 1
44 1 8 1 "RMS(OBS, PRED)" CA 38 1.241 1
45 1 8 1 "RMS(OBS, PRED)" CB 33 1.324 1
46 1 8 1 "RMS(OBS, PRED)" H 35 0.399 1
47 1 8 1 "RMS(OBS, PRED)" HA 43 0.317 1
48 1 8 1 "RMS(OBS, PRED)" N 35 2.166 1
49 1 9 1 "RMS(OBS, PRED)" C 38 1.028 1
50 1 9 1 "RMS(OBS, PRED)" CA 38 1.353 1
51 1 9 1 "RMS(OBS, PRED)" CB 33 1.528 1
52 1 9 1 "RMS(OBS, PRED)" H 35 0.483 1
53 1 9 1 "RMS(OBS, PRED)" HA 43 0.311 1
54 1 9 1 "RMS(OBS, PRED)" N 35 3.063 1
55 1 10 1 "RMS(OBS, PRED)" C 38 0.944 1
56 1 10 1 "RMS(OBS, PRED)" CA 38 1.332 1
57 1 10 1 "RMS(OBS, PRED)" CB 33 1.505 1
58 1 10 1 "RMS(OBS, PRED)" H 35 0.543 1
59 1 10 1 "RMS(OBS, PRED)" HA 43 0.297 1
60 1 10 1 "RMS(OBS, PRED)" N 35 2.745 1
61 1 11 1 "RMS(OBS, PRED)" C 38 1.038 1
62 1 11 1 "RMS(OBS, PRED)" CA 38 1.211 1
63 1 11 1 "RMS(OBS, PRED)" CB 33 1.391 1
64 1 11 1 "RMS(OBS, PRED)" H 35 0.487 1
65 1 11 1 "RMS(OBS, PRED)" HA 43 0.320 1
66 1 11 1 "RMS(OBS, PRED)" N 35 2.701 1
67 1 12 1 "RMS(OBS, PRED)" C 38 1.068 1
68 1 12 1 "RMS(OBS, PRED)" CA 38 1.435 1
69 1 12 1 "RMS(OBS, PRED)" CB 33 1.335 1
70 1 12 1 "RMS(OBS, PRED)" H 35 0.467 1
71 1 12 1 "RMS(OBS, PRED)" HA 43 0.352 1
72 1 12 1 "RMS(OBS, PRED)" N 35 2.536 1
73 1 13 1 "RMS(OBS, PRED)" C 38 1.057 1
74 1 13 1 "RMS(OBS, PRED)" CA 38 1.196 1
75 1 13 1 "RMS(OBS, PRED)" CB 33 1.228 1
76 1 13 1 "RMS(OBS, PRED)" H 35 0.459 1
77 1 13 1 "RMS(OBS, PRED)" HA 43 0.269 1
78 1 13 1 "RMS(OBS, PRED)" N 35 2.700 1
79 1 14 1 "RMS(OBS, PRED)" C 38 1.263 1
80 1 14 1 "RMS(OBS, PRED)" CA 38 1.202 1
81 1 14 1 "RMS(OBS, PRED)" CB 33 1.270 1
82 1 14 1 "RMS(OBS, PRED)" H 35 0.456 1
83 1 14 1 "RMS(OBS, PRED)" HA 43 0.350 1
84 1 14 1 "RMS(OBS, PRED)" N 35 2.838 1
85 1 15 1 "RMS(OBS, PRED)" C 38 1.061 1
86 1 15 1 "RMS(OBS, PRED)" CA 38 1.105 1
87 1 15 1 "RMS(OBS, PRED)" CB 33 1.399 1
88 1 15 1 "RMS(OBS, PRED)" H 35 0.485 1
89 1 15 1 "RMS(OBS, PRED)" HA 43 0.314 1
90 1 15 1 "RMS(OBS, PRED)" N 35 2.474 1
91 1 16 1 "RMS(OBS, PRED)" C 38 1.098 1
92 1 16 1 "RMS(OBS, PRED)" CA 38 1.324 1
93 1 16 1 "RMS(OBS, PRED)" CB 33 1.416 1
94 1 16 1 "RMS(OBS, PRED)" H 35 0.505 1
95 1 16 1 "RMS(OBS, PRED)" HA 43 0.334 1
96 1 16 1 "RMS(OBS, PRED)" N 35 2.996 1
97 1 17 1 "RMS(OBS, PRED)" C 38 0.979 1
98 1 17 1 "RMS(OBS, PRED)" CA 38 1.335 1
99 1 17 1 "RMS(OBS, PRED)" CB 33 1.539 1
100 1 17 1 "RMS(OBS, PRED)" H 35 0.502 1
101 1 17 1 "RMS(OBS, PRED)" HA 43 0.301 1
102 1 17 1 "RMS(OBS, PRED)" N 35 2.663 1
103 1 18 1 "RMS(OBS, PRED)" C 38 1.012 1
104 1 18 1 "RMS(OBS, PRED)" CA 38 1.411 1
105 1 18 1 "RMS(OBS, PRED)" CB 33 1.432 1
106 1 18 1 "RMS(OBS, PRED)" H 35 0.447 1
107 1 18 1 "RMS(OBS, PRED)" HA 43 0.377 1
108 1 18 1 "RMS(OBS, PRED)" N 35 2.837 1
109 1 19 1 "RMS(OBS, PRED)" C 38 0.999 1
110 1 19 1 "RMS(OBS, PRED)" CA 38 1.306 1
111 1 19 1 "RMS(OBS, PRED)" CB 33 1.380 1
112 1 19 1 "RMS(OBS, PRED)" H 35 0.449 1
113 1 19 1 "RMS(OBS, PRED)" HA 43 0.280 1
114 1 19 1 "RMS(OBS, PRED)" N 35 3.008 1
115 1 20 1 "RMS(OBS, PRED)" C 38 0.885 1
116 1 20 1 "RMS(OBS, PRED)" CA 38 1.421 1
117 1 20 1 "RMS(OBS, PRED)" CB 33 1.342 1
118 1 20 1 "RMS(OBS, PRED)" H 35 0.446 1
119 1 20 1 "RMS(OBS, PRED)" HA 43 0.282 1
120 1 20 1 "RMS(OBS, PRED)" N 35 2.445 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 6 6 SER HA H 6 4.443 4.657 -0.214 2
1 4 . 1 1 A 6 6 SER C C 6 174.977 174.758 0.219 2
1 5 . 1 1 A 6 6 SER CA C 6 58.518 58.608 -0.090 2
1 6 . 1 1 A 6 6 SER CB C 6 63.628 64.200 -0.572 2
1 7 . 1 1 A 7 7 GLY H H 7 8.375 8.265 0.110 2
1 8 . 1 1 A 7 7 GLY HA2 H 7 3.943 4.066 -0.123 2
1 9 . 1 1 A 7 7 GLY HA3 H 7 3.943 4.080 -0.137 2
1 10 . 1 1 A 7 7 GLY C C 7 174.013 173.448 0.565 2
1 11 . 1 1 A 7 7 GLY CA C 7 45.265 45.589 -0.324 2
1 12 . 1 1 A 7 7 GLY N N 7 110.641 110.237 0.404 2
1 13 . 1 1 A 8 8 GLU H H 8 8.221 8.216 0.005 2
1 14 . 1 1 A 8 8 GLU HA H 8 4.211 4.666 -0.455 2
1 19 . 1 1 A 8 8 GLU C C 8 176.367 175.847 0.520 2
1 20 . 1 1 A 8 8 GLU CA C 8 56.659 55.139 1.520 2
1 21 . 1 1 A 8 8 GLU CB C 8 30.440 30.223 0.217 2
1 23 . 1 1 A 8 8 GLU N N 8 120.286 120.463 -0.177 2
1 24 . 1 1 A 9 9 LYS H H 9 8.366 8.605 -0.239 2
1 25 . 1 1 A 9 9 LYS HA H 9 4.523 4.073 0.450 2
1 34 . 1 1 A 9 9 LYS C C 9 174.265 176.575 -2.310 2
1 35 . 1 1 A 9 9 LYS CA C 9 53.760 56.883 -3.123 2
1 36 . 1 1 A 9 9 LYS CB C 9 32.697 30.294 2.403 2
1 40 . 1 1 A 9 9 LYS N N 9 122.243 121.973 0.270 2
1 41 . 1 1 A 10 10 PRO HA H 10 4.279 4.444 -0.165 2
1 48 . 1 1 A 10 10 PRO C C 10 176.457 175.756 0.701 2
1 49 . 1 1 A 10 10 PRO CA C 10 63.415 64.808 -1.393 2
1 50 . 1 1 A 10 10 PRO CB C 10 32.074 31.565 0.509 2
1 53 . 1 1 A 11 11 TYR H H 11 8.273 7.577 0.696 2
1 54 . 1 1 A 11 11 TYR HA H 11 4.715 5.029 -0.314 2
1 61 . 1 1 A 11 11 TYR C C 11 174.995 175.858 -0.863 2
1 62 . 1 1 A 11 11 TYR CA C 11 56.584 56.510 0.074 2
1 63 . 1 1 A 11 11 TYR CB C 11 38.169 41.098 -2.929 2
1 68 . 1 1 A 11 11 TYR N N 11 118.862 118.872 -0.010 2
1 69 . 1 1 A 12 12 GLY H H 12 8.221 8.798 -0.577 2
1 70 . 1 1 A 12 12 GLY HA2 H 12 3.613 4.435 -0.822 2
1 71 . 1 1 A 12 12 GLY HA3 H 12 4.865 4.562 0.303 2
1 72 . 1 1 A 12 12 GLY C C 12 173.074 172.120 0.954 2
1 73 . 1 1 A 12 12 GLY CA C 12 44.870 45.666 -0.796 2
1 74 . 1 1 A 12 12 GLY N N 12 110.093 109.425 0.668 2
1 75 . 1 1 A 13 13 CYS H H 13 9.115 8.982 0.133 2
1 76 . 1 1 A 13 13 CYS HA H 13 4.665 4.979 -0.314 2
1 79 . 1 1 A 13 13 CYS C C 13 177.041 175.399 1.642 2
1 80 . 1 1 A 13 13 CYS CA C 13 58.883 58.131 0.752 2
1 81 . 1 1 A 13 13 CYS CB C 13 29.920 29.658 0.262 2
1 82 . 1 1 A 13 13 CYS N N 13 123.945 118.729 5.216 2
1 83 . 1 1 A 14 14 ASN H H 14 9.374 9.032 0.342 2
1 84 . 1 1 A 14 14 ASN HA H 14 4.550 4.720 -0.170 2
1 89 . 1 1 A 14 14 ASN C C 14 175.484 176.883 -1.399 2
1 90 . 1 1 A 14 14 ASN CA C 14 55.420 54.621 0.799 2
1 91 . 1 1 A 14 14 ASN CB C 14 38.238 38.785 -0.547 2
1 92 . 1 1 A 14 14 ASN N N 14 129.983 126.021 3.962 2
1 94 . 1 1 A 15 15 GLU H H 15 8.645 8.150 0.495 2
1 95 . 1 1 A 15 15 GLU HA H 15 4.212 4.105 0.107 2
1 100 . 1 1 A 15 15 GLU C C 15 177.052 177.994 -0.942 2
1 101 . 1 1 A 15 15 GLU CA C 15 58.326 58.509 -0.183 2
1 102 . 1 1 A 15 15 GLU CB C 15 29.466 29.746 -0.280 2
1 104 . 1 1 A 15 15 GLU N N 15 120.926 119.229 1.697 2
1 105 . 1 1 A 16 16 CYS H H 16 7.846 7.772 0.074 2
1 106 . 1 1 A 16 16 CYS HA H 16 5.144 4.623 0.520 2
1 109 . 1 1 A 16 16 CYS C C 16 176.147 175.389 0.758 2
1 110 . 1 1 A 16 16 CYS CA C 16 58.213 59.599 -1.386 2
1 111 . 1 1 A 16 16 CYS CB C 16 32.251 29.848 2.403 2
1 112 . 1 1 A 16 16 CYS N N 16 114.327 114.831 -0.504 2
1 113 . 1 1 A 17 17 GLY H H 17 8.188 8.002 0.186 2
1 114 . 1 1 A 17 17 GLY HA2 H 17 3.875 4.059 -0.184 2
1 115 . 1 1 A 17 17 GLY HA3 H 17 4.202 4.069 0.133 2
1 116 . 1 1 A 17 17 GLY C C 17 174.225 174.401 -0.176 2
1 117 . 1 1 A 17 17 GLY CA C 17 46.360 45.182 1.178 2
1 118 . 1 1 A 17 17 GLY N N 17 113.009 110.062 2.947 2
1 119 . 1 1 A 18 18 LYS H H 18 7.801 7.661 0.140 2
1 120 . 1 1 A 18 18 LYS HA H 18 4.087 4.443 -0.356 2
1 129 . 1 1 A 18 18 LYS C C 18 173.597 174.930 -1.333 2
1 130 . 1 1 A 18 18 LYS CA C 18 57.553 55.366 2.187 2
1 131 . 1 1 A 18 18 LYS CB C 18 34.123 33.890 0.233 2
1 135 . 1 1 A 18 18 LYS N N 18 122.310 121.302 1.008 2
1 136 . 1 1 A 19 19 ASP H H 19 7.782 8.193 -0.411 2
1 137 . 1 1 A 19 19 ASP HA H 19 5.140 5.401 -0.261 2
1 140 . 1 1 A 19 19 ASP C C 19 174.660 174.258 0.402 2
1 141 . 1 1 A 19 19 ASP CA C 19 52.887 52.465 0.422 2
1 142 . 1 1 A 19 19 ASP CB C 19 43.759 44.679 -0.920 2
1 143 . 1 1 A 19 19 ASP N N 19 118.910 122.198 -3.288 2
1 144 . 1 1 A 20 20 PHE H H 20 8.207 8.818 -0.611 2
1 145 . 1 1 A 20 20 PHE HA H 20 4.735 4.941 -0.206 2
1 153 . 1 1 A 20 20 PHE C C 20 175.997 175.791 0.206 2
1 154 . 1 1 A 20 20 PHE CA C 20 57.637 56.935 0.702 2
1 155 . 1 1 A 20 20 PHE CB C 20 43.683 42.983 0.700 2
1 161 . 1 1 A 20 20 PHE N N 20 116.189 120.796 -4.607 2
1 162 . 1 1 A 21 21 SER H H 21 9.247 9.022 0.225 2
1 163 . 1 1 A 21 21 SER HA H 21 4.557 4.600 -0.043 2
1 166 . 1 1 A 21 21 SER C C 21 173.988 174.276 -0.288 2
1 167 . 1 1 A 21 21 SER CA C 21 59.854 60.786 -0.932 2
1 168 . 1 1 A 21 21 SER CB C 21 63.994 63.736 0.259 2
1 169 . 1 1 A 21 21 SER N N 21 114.221 118.412 -4.191 2
1 170 . 1 1 A 22 22 SER H H 22 7.490 8.192 -0.702 2
1 171 . 1 1 A 22 22 SER HA H 22 4.473 4.725 -0.252 2
1 174 . 1 1 A 22 22 SER C C 22 173.228 174.145 -0.917 2
1 175 . 1 1 A 22 22 SER CA C 22 56.284 57.053 -0.769 2
1 176 . 1 1 A 22 22 SER CB C 22 66.196 65.321 0.875 2
1 177 . 1 1 A 22 22 SER N N 22 113.081 115.603 -2.522 2
1 178 . 1 1 A 23 23 LYS H H 23 8.298 8.507 -0.209 2
1 179 . 1 1 A 23 23 LYS HA H 23 3.376 3.189 0.187 2
1 188 . 1 1 A 23 23 LYS C C 23 177.950 177.895 0.055 2
1 189 . 1 1 A 23 23 LYS CA C 23 58.783 59.026 -0.243 2
1 190 . 1 1 A 23 23 LYS CB C 23 31.851 31.675 0.176 2
1 194 . 1 1 A 23 23 LYS N N 23 124.483 125.994 -1.511 2
1 195 . 1 1 A 24 24 SER H H 24 8.124 7.900 0.224 2
1 196 . 1 1 A 24 24 SER HA H 24 3.971 4.005 -0.034 2
1 199 . 1 1 A 24 24 SER C C 24 176.849 176.476 0.373 2
1 200 . 1 1 A 24 24 SER CA C 24 61.969 61.576 0.393 2
1 201 . 1 1 A 24 24 SER CB C 24 61.969 62.405 -0.436 2
1 202 . 1 1 A 24 24 SER N N 24 113.002 115.576 -2.574 2
1 203 . 1 1 A 25 25 TYR H H 25 7.305 7.942 -0.637 2
1 204 . 1 1 A 25 25 TYR HA H 25 4.325 4.292 0.033 2
1 211 . 1 1 A 25 25 TYR C C 25 178.583 177.830 0.753 2
1 212 . 1 1 A 25 25 TYR CA C 25 59.396 60.653 -1.256 2
1 213 . 1 1 A 25 25 TYR CB C 25 37.560 38.142 -0.582 2
1 218 . 1 1 A 25 25 TYR N N 25 119.444 119.819 -0.375 2
1 219 . 1 1 A 26 26 LEU H H 26 7.358 7.587 -0.229 2
1 220 . 1 1 A 26 26 LEU HA H 26 3.339 2.926 0.413 2
1 230 . 1 1 A 26 26 LEU C C 26 177.371 178.386 -1.015 2
1 231 . 1 1 A 26 26 LEU CA C 26 58.191 57.722 0.469 2
1 232 . 1 1 A 26 26 LEU CB C 26 40.695 41.604 -0.909 2
1 236 . 1 1 A 26 26 LEU N N 26 122.536 120.773 1.763 2
1 237 . 1 1 A 27 27 ILE H H 27 8.225 8.001 0.224 2
1 238 . 1 1 A 27 27 ILE HA H 27 3.778 3.615 0.163 2
1 248 . 1 1 A 27 27 ILE C C 27 179.086 178.560 0.526 2
1 249 . 1 1 A 27 27 ILE CA C 27 64.790 65.190 -0.400 2
1 250 . 1 1 A 27 27 ILE CB C 27 37.725 37.657 0.068 2
1 254 . 1 1 A 27 27 ILE N N 27 119.370 119.761 -0.391 2
1 255 . 1 1 A 28 28 VAL H H 28 7.394 8.088 -0.694 2
1 256 . 1 1 A 28 28 VAL HA H 28 3.507 3.553 -0.046 2
1 264 . 1 1 A 28 28 VAL C C 28 178.897 178.184 0.713 2
1 265 . 1 1 A 28 28 VAL CA C 28 66.606 66.143 0.463 2
1 266 . 1 1 A 28 28 VAL CB C 28 31.929 31.691 0.238 2
1 269 . 1 1 A 28 28 VAL N N 28 118.982 120.935 -1.953 2
1 270 . 1 1 A 29 29 HIS H H 29 7.587 7.987 -0.400 2
1 271 . 1 1 A 29 29 HIS HA H 29 4.134 4.198 -0.064 2
1 276 . 1 1 A 29 29 HIS C C 29 176.397 177.076 -0.679 2
1 277 . 1 1 A 29 29 HIS CA C 29 59.312 59.730 -0.418 2
1 278 . 1 1 A 29 29 HIS CB C 29 27.959 29.719 -1.760 2
1 281 . 1 1 A 29 29 HIS N N 29 119.908 119.535 0.373 2
1 282 . 1 1 A 30 30 GLN H H 30 8.502 8.597 -0.095 2
1 283 . 1 1 A 30 30 GLN HA H 30 3.615 4.004 -0.389 2
1 290 . 1 1 A 30 30 GLN C C 30 177.427 178.673 -1.246 2
1 291 . 1 1 A 30 30 GLN CA C 30 59.579 59.206 0.373 2
1 292 . 1 1 A 30 30 GLN CB C 30 28.227 28.370 -0.143 2
1 294 . 1 1 A 30 30 GLN N N 30 115.041 117.392 -2.351 2
1 296 . 1 1 A 31 31 ARG H H 31 7.242 7.950 -0.709 2
1 297 . 1 1 A 31 31 ARG HA H 31 4.142 4.295 -0.153 2
1 304 . 1 1 A 31 31 ARG C C 31 178.802 179.143 -0.341 2
1 305 . 1 1 A 31 31 ARG CA C 31 58.548 59.063 -0.515 2
1 306 . 1 1 A 31 31 ARG CB C 31 30.083 29.856 0.227 2
1 309 . 1 1 A 31 31 ARG N N 31 118.327 119.885 -1.558 2
1 310 . 1 1 A 32 32 ILE H H 32 7.871 8.085 -0.214 2
1 311 . 1 1 A 32 32 ILE HA H 32 3.947 3.800 0.147 2
1 321 . 1 1 A 32 32 ILE C C 32 177.496 176.818 0.678 2
1 322 . 1 1 A 32 32 ILE CA C 32 63.124 63.202 -0.078 2
1 323 . 1 1 A 32 32 ILE CB C 32 37.609 37.264 0.345 2
1 327 . 1 1 A 32 32 ILE N N 32 116.287 117.413 -1.126 2
1 328 . 1 1 A 33 33 HIS H H 33 7.158 7.623 -0.465 2
1 329 . 1 1 A 33 33 HIS HA H 33 4.846 4.599 0.247 2
1 334 . 1 1 A 33 33 HIS C C 33 176.000 175.298 0.702 2
1 335 . 1 1 A 33 33 HIS CA C 33 55.125 57.022 -1.897 2
1 336 . 1 1 A 33 33 HIS CB C 33 28.536 30.948 -2.412 2
1 339 . 1 1 A 33 33 HIS N N 33 117.660 119.283 -1.623 2
1 340 . 1 1 A 34 34 THR H H 34 7.811 7.681 0.130 2
1 341 . 1 1 A 34 34 THR HA H 34 4.320 4.251 0.069 2
1 346 . 1 1 A 34 34 THR C C 34 175.641 174.816 0.825 2
1 347 . 1 1 A 34 34 THR CA C 34 62.869 62.305 0.564 2
1 348 . 1 1 A 34 34 THR CB C 34 69.771 69.681 0.090 2
1 350 . 1 1 A 34 34 THR N N 34 112.089 111.619 0.470 2
1 351 . 1 1 A 35 35 GLY H H 35 8.210 8.482 -0.272 2
1 352 . 1 1 A 35 35 GLY HA2 H 35 4.019 4.022 -0.003 2
1 353 . 1 1 A 35 35 GLY HA3 H 35 3.944 4.026 -0.082 2
1 354 . 1 1 A 35 35 GLY C C 35 174.359 174.183 0.176 2
1 355 . 1 1 A 35 35 GLY CA C 35 45.494 45.984 -0.490 2
1 356 . 1 1 A 35 35 GLY N N 35 110.437 111.487 -1.050 2
1 357 . 1 1 A 36 36 GLU H H 36 8.085 8.181 -0.096 2
1 358 . 1 1 A 36 36 GLU HA H 36 4.214 4.474 -0.260 2
1 363 . 1 1 A 36 36 GLU C C 36 176.485 176.431 0.054 2
1 364 . 1 1 A 36 36 GLU CA C 36 56.691 56.397 0.294 2
1 365 . 1 1 A 36 36 GLU CB C 36 30.455 30.652 -0.197 2
1 367 . 1 1 A 36 36 GLU N N 36 120.789 121.139 -0.350 2
1 368 . 1 1 A 37 37 LYS H H 37 8.316 8.244 0.072 2
1 369 . 1 1 A 37 37 LYS HA H 37 4.313 4.174 0.139 2
1 378 . 1 1 A 37 37 LYS C C 37 176.554 176.336 0.218 2
1 379 . 1 1 A 37 37 LYS CA C 37 56.270 57.370 -1.100 2
1 380 . 1 1 A 37 37 LYS CB C 37 32.830 32.372 0.458 2
1 384 . 1 1 A 37 37 LYS N N 37 122.204 122.267 -0.063 2
1 385 . 1 1 A 38 38 LEU H H 38 8.295 8.113 0.182 2
1 386 . 1 1 A 38 38 LEU HA H 38 4.390 4.503 -0.113 2
1 396 . 1 1 A 38 38 LEU C C 38 177.408 176.315 1.093 2
1 397 . 1 1 A 38 38 LEU CA C 38 55.081 54.824 0.257 2
1 398 . 1 1 A 38 38 LEU CB C 38 42.248 43.018 -0.770 2
1 402 . 1 1 A 38 38 LEU N N 38 123.561 121.944 1.617 2
1 403 . 1 1 A 39 39 SER H H 39 8.293 8.494 -0.201 2
1 404 . 1 1 A 39 39 SER HA H 39 4.487 4.597 -0.110 2
1 407 . 1 1 A 39 39 SER C C 39 174.479 174.333 0.146 2
1 408 . 1 1 A 39 39 SER CA C 39 58.221 58.632 -0.411 2
1 409 . 1 1 A 39 39 SER CB C 39 63.918 64.048 -0.130 2
1 410 . 1 1 A 39 39 SER N N 39 116.483 117.123 -0.640 2
1 411 . 1 1 A 40 40 GLY H H 40 8.210 8.309 -0.099 2
1 412 . 1 1 A 40 40 GLY HA2 H 40 4.163 4.097 0.066 2
1 413 . 1 1 A 40 40 GLY HA3 H 40 4.097 4.097 -0.000 2
1 414 . 1 1 A 40 40 GLY C C 40 171.732 173.366 -1.634 2
1 415 . 1 1 A 40 40 GLY CA C 40 44.672 44.955 -0.283 2
1 416 . 1 1 A 40 40 GLY N N 40 110.630 110.727 -0.097 2
1 417 . 1 1 A 41 41 PRO HA H 41 4.476 4.556 -0.079 2
1 424 . 1 1 A 41 41 PRO C C 41 177.357 176.585 0.772 2
1 425 . 1 1 A 41 41 PRO CA C 41 63.215 63.099 0.117 2
1 426 . 1 1 A 41 41 PRO CB C 41 32.212 31.853 0.359 2
1 429 . 1 1 A 42 42 SER H H 42 8.535 8.369 0.166 2
1 430 . 1 1 A 42 42 SER HA H 42 4.470 4.557 -0.087 2
1 433 . 1 1 A 42 42 SER C C 42 174.589 174.181 0.408 2
1 434 . 1 1 A 42 42 SER CA C 42 58.435 58.677 -0.242 2
1 435 . 1 1 A 42 42 SER CB C 42 63.984 63.983 0.002 2
1 436 . 1 1 A 42 42 SER N N 42 116.375 116.655 -0.280 2
1 437 . 1 1 A 43 43 SER H H 43 8.303 8.504 -0.201 2
1 438 . 1 1 A 43 43 SER HA H 43 4.457 4.552 -0.095 2
1 441 . 1 1 A 43 43 SER C C 43 173.896 174.501 -0.605 2
1 442 . 1 1 A 43 43 SER CA C 43 58.281 58.522 -0.241 2
1 443 . 1 1 A 43 43 SER CB C 43 64.036 63.650 0.386 2
1 444 . 1 1 A 43 43 SER N N 43 117.817 117.892 -0.075 2
stop_
save_