data_10224_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10224
_Entry.PDB_ID 2EMV
_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 7 7 GLY HA2 H 7 3.984 4.230 -0.246 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 3.984 4.233 -0.249 1
1 3 . 1 1 1 A 7 7 GLY C C 7 174.243 172.590 1.653 1
1 4 . 1 1 1 A 7 7 GLY CA C 7 45.345 44.649 0.696 1
1 5 . 1 1 1 A 8 8 THR H H 8 8.056 9.002 -0.946 1
1 6 . 1 1 1 A 8 8 THR HA H 8 4.351 5.234 -0.883 1
1 11 . 1 1 1 A 8 8 THR C C 8 174.506 172.810 1.696 1
1 12 . 1 1 1 A 8 8 THR CA C 8 61.679 60.364 1.315 1
1 13 . 1 1 1 A 8 8 THR CB C 8 70.039 71.238 -1.199 1
1 15 . 1 1 1 A 8 8 THR N N 8 114.027 116.009 -1.982 1
1 16 . 1 1 1 A 9 9 ARG H H 9 8.379 8.946 -0.567 1
1 17 . 1 1 1 A 9 9 ARG HA H 9 4.291 4.448 -0.157 1
1 24 . 1 1 1 A 9 9 ARG C C 9 176.137 176.060 0.077 1
1 25 . 1 1 1 A 9 9 ARG CA C 9 56.291 54.991 1.300 1
1 26 . 1 1 1 A 9 9 ARG CB C 9 30.735 28.204 2.531 1
1 29 . 1 1 1 A 9 9 ARG N N 9 123.323 125.627 -2.304 1
1 30 . 1 1 1 A 10 10 GLU H H 10 8.420 8.246 0.174 1
1 31 . 1 1 1 A 10 10 GLU HA H 10 4.142 4.208 -0.066 1
1 36 . 1 1 1 A 10 10 GLU C C 10 176.102 177.031 -0.929 1
1 37 . 1 1 1 A 10 10 GLU CA C 10 57.284 58.715 -1.431 1
1 38 . 1 1 1 A 10 10 GLU CB C 10 30.289 30.256 0.033 1
1 40 . 1 1 1 A 10 10 GLU N N 10 121.984 123.247 -1.263 1
1 41 . 1 1 1 A 11 11 LYS H H 11 8.035 7.753 0.282 1
1 42 . 1 1 1 A 11 11 LYS HA H 11 4.545 4.545 0.000 1
1 51 . 1 1 1 A 11 11 LYS C C 11 173.979 176.330 -2.351 1
1 52 . 1 1 1 A 11 11 LYS CA C 11 53.589 53.235 0.354 1
1 53 . 1 1 1 A 11 11 LYS CB C 11 33.028 32.761 0.267 1
1 57 . 1 1 1 A 11 11 LYS N N 11 120.453 118.926 1.527 1
1 58 . 1 1 1 A 12 12 PRO HA H 12 4.290 4.334 -0.044 1
1 65 . 1 1 1 A 12 12 PRO C C 12 176.186 176.031 0.155 1
1 66 . 1 1 1 A 12 12 PRO CA C 12 63.385 65.079 -1.694 1
1 67 . 1 1 1 A 12 12 PRO CB C 12 32.283 31.707 0.576 1
1 70 . 1 1 1 A 13 13 TYR H H 13 8.036 7.410 0.626 1
1 71 . 1 1 1 A 13 13 TYR HA H 13 4.568 4.726 -0.158 1
1 78 . 1 1 1 A 13 13 TYR C C 13 174.612 176.653 -2.041 1
1 79 . 1 1 1 A 13 13 TYR CA C 13 57.760 58.825 -1.065 1
1 80 . 1 1 1 A 13 13 TYR CB C 13 38.387 39.326 -0.939 1
1 85 . 1 1 1 A 13 13 TYR N N 13 118.849 118.269 0.580 1
1 86 . 1 1 1 A 14 14 GLU H H 14 8.552 9.099 -0.547 1
1 87 . 1 1 1 A 14 14 GLU HA H 14 4.923 5.564 -0.641 1
1 92 . 1 1 1 A 14 14 GLU C C 14 175.204 175.445 -0.241 1
1 93 . 1 1 1 A 14 14 GLU CA C 14 54.910 54.416 0.494 1
1 94 . 1 1 1 A 14 14 GLU CB C 14 33.000 33.110 -0.110 1
1 96 . 1 1 1 A 14 14 GLU N N 14 123.988 122.813 1.175 1
1 97 . 1 1 1 A 15 15 CYS H H 15 9.288 8.965 0.323 1
1 98 . 1 1 1 A 15 15 CYS HA H 15 4.591 4.581 0.010 1
1 101 . 1 1 1 A 15 15 CYS C C 15 177.502 176.346 1.156 1
1 102 . 1 1 1 A 15 15 CYS CA C 15 59.594 59.371 0.223 1
1 103 . 1 1 1 A 15 15 CYS CB C 15 29.754 28.645 1.109 1
1 104 . 1 1 1 A 15 15 CYS N N 15 126.830 123.585 3.245 1
1 105 . 1 1 1 A 16 16 SER H H 16 9.383 9.204 0.179 1
1 106 . 1 1 1 A 16 16 SER HA H 16 4.287 4.400 -0.113 1
1 109 . 1 1 1 A 16 16 SER C C 16 174.508 175.745 -1.237 1
1 110 . 1 1 1 A 16 16 SER CA C 16 60.955 59.855 1.100 1
1 111 . 1 1 1 A 16 16 SER CB C 16 63.100 62.941 0.159 1
1 112 . 1 1 1 A 16 16 SER N N 16 128.427 123.295 5.132 1
1 113 . 1 1 1 A 17 17 GLU H H 17 8.727 7.766 0.961 1
1 114 . 1 1 1 A 17 17 GLU HA H 17 4.258 4.175 0.083 1
1 119 . 1 1 1 A 17 17 GLU C C 17 177.133 178.141 -1.008 1
1 120 . 1 1 1 A 17 17 GLU CA C 17 58.110 58.389 -0.279 1
1 121 . 1 1 1 A 17 17 GLU CB C 17 29.738 30.132 -0.394 1
1 123 . 1 1 1 A 17 17 GLU N N 17 123.127 119.481 3.646 1
1 124 . 1 1 1 A 18 18 CYS H H 18 7.939 7.994 -0.055 1
1 125 . 1 1 1 A 18 18 CYS HA H 18 5.177 4.658 0.519 1
1 128 . 1 1 1 A 18 18 CYS C C 18 176.246 175.462 0.784 1
1 129 . 1 1 1 A 18 18 CYS CA C 18 58.259 59.500 -1.241 1
1 130 . 1 1 1 A 18 18 CYS CB C 18 32.602 29.915 2.687 1
1 131 . 1 1 1 A 18 18 CYS N N 18 114.781 114.607 0.174 1
1 132 . 1 1 1 A 19 19 GLY H H 19 8.186 7.972 0.214 1
1 133 . 1 1 1 A 19 19 GLY HA2 H 19 4.233 4.069 0.164 1
1 134 . 1 1 1 A 19 19 GLY HA3 H 19 3.870 4.081 -0.211 1
1 135 . 1 1 1 A 19 19 GLY C C 19 173.749 174.593 -0.844 1
1 136 . 1 1 1 A 19 19 GLY CA C 19 46.118 44.997 1.121 1
1 137 . 1 1 1 A 19 19 GLY N N 19 113.365 110.035 3.330 1
1 138 . 1 1 1 A 20 20 LYS H H 20 8.006 7.579 0.427 1
1 139 . 1 1 1 A 20 20 LYS HA H 20 3.923 4.160 -0.237 1
1 148 . 1 1 1 A 20 20 LYS C C 20 173.687 175.183 -1.496 1
1 149 . 1 1 1 A 20 20 LYS CA C 20 58.226 56.219 2.007 1
1 150 . 1 1 1 A 20 20 LYS CB C 20 33.596 33.214 0.382 1
1 154 . 1 1 1 A 20 20 LYS N N 20 123.138 122.557 0.581 1
1 155 . 1 1 1 A 21 21 ALA H H 21 7.748 7.908 -0.160 1
1 156 . 1 1 1 A 21 21 ALA HA H 21 5.177 5.721 -0.544 1
1 160 . 1 1 1 A 21 21 ALA C C 21 176.281 175.030 1.251 1
1 161 . 1 1 1 A 21 21 ALA CA C 21 50.328 50.284 0.044 1
1 162 . 1 1 1 A 21 21 ALA CB C 21 22.412 23.896 -1.484 1
1 163 . 1 1 1 A 21 21 ALA N N 21 123.859 124.406 -0.547 1
1 164 . 1 1 1 A 22 22 PHE H H 22 8.670 9.031 -0.361 1
1 165 . 1 1 1 A 22 22 PHE HA H 22 4.744 4.922 -0.178 1
1 173 . 1 1 1 A 22 22 PHE C C 22 175.220 175.675 -0.455 1
1 174 . 1 1 1 A 22 22 PHE CA C 22 57.170 56.616 0.554 1
1 175 . 1 1 1 A 22 22 PHE CB C 22 43.555 43.505 0.050 1
1 181 . 1 1 1 A 22 22 PHE N N 22 117.277 115.808 1.469 1
1 182 . 1 1 1 A 23 23 ILE H H 23 8.681 8.738 -0.057 1
1 183 . 1 1 1 A 23 23 ILE HA H 23 4.317 4.257 0.060 1
1 193 . 1 1 1 A 23 23 ILE C C 23 175.969 176.798 -0.829 1
1 194 . 1 1 1 A 23 23 ILE CA C 23 63.252 62.995 0.257 1
1 195 . 1 1 1 A 23 23 ILE CB C 23 38.840 38.693 0.147 1
1 199 . 1 1 1 A 23 23 ILE N N 23 119.186 121.405 -2.219 1
1 200 . 1 1 1 A 24 24 ARG H H 24 7.716 7.791 -0.075 1
1 201 . 1 1 1 A 24 24 ARG HA H 24 4.794 4.701 0.093 1
1 208 . 1 1 1 A 24 24 ARG C C 24 176.531 175.551 0.980 1
1 209 . 1 1 1 A 24 24 ARG CA C 24 53.902 54.149 -0.247 1
1 210 . 1 1 1 A 24 24 ARG CB C 24 33.380 32.957 0.423 1
1 213 . 1 1 1 A 24 24 ARG N N 24 115.336 120.617 -5.281 1
1 214 . 1 1 1 A 25 25 ASN H H 25 8.492 8.141 0.351 1
1 215 . 1 1 1 A 25 25 ASN HA H 25 3.587 3.293 0.294 1
1 220 . 1 1 1 A 25 25 ASN C C 25 177.332 176.888 0.444 1
1 221 . 1 1 1 A 25 25 ASN CA C 25 56.127 56.360 -0.233 1
1 222 . 1 1 1 A 25 25 ASN CB C 25 38.325 38.368 -0.043 1
1 223 . 1 1 1 A 25 25 ASN N N 25 124.604 122.163 2.441 1
1 225 . 1 1 1 A 26 26 SER HA H 26 3.868 4.058 -0.190 1
1 228 . 1 1 1 A 26 26 SER C C 26 176.671 176.574 0.097 1
1 229 . 1 1 1 A 26 26 SER CA C 26 61.484 61.598 -0.114 1
1 230 . 1 1 1 A 26 26 SER CB C 26 59.671 62.899 -3.228 1
1 231 . 1 1 1 A 26 26 SER N N 26 116.000 115.752 0.248 1
1 232 . 1 1 1 A 27 27 GLN H H 27 6.676 7.746 -1.070 1
1 233 . 1 1 1 A 27 27 GLN HA H 27 3.939 4.010 -0.071 1
1 240 . 1 1 1 A 27 27 GLN C C 27 178.435 178.042 0.393 1
1 241 . 1 1 1 A 27 27 GLN CA C 27 57.514 58.828 -1.314 1
1 242 . 1 1 1 A 27 27 GLN CB C 27 28.989 28.290 0.699 1
1 244 . 1 1 1 A 27 27 GLN N N 27 119.416 121.187 -1.771 1
1 246 . 1 1 1 A 28 28 LEU H H 28 6.916 7.552 -0.636 1
1 247 . 1 1 1 A 28 28 LEU HA H 28 3.284 1.685 1.599 1
1 257 . 1 1 1 A 28 28 LEU C C 28 177.490 178.197 -0.707 1
1 258 . 1 1 1 A 28 28 LEU CA C 28 57.911 57.331 0.580 1
1 259 . 1 1 1 A 28 28 LEU CB C 28 40.185 41.175 -0.990 1
1 263 . 1 1 1 A 28 28 LEU N N 28 122.389 121.101 1.288 1
1 264 . 1 1 1 A 29 29 ILE H H 29 7.971 7.919 0.052 1
1 265 . 1 1 1 A 29 29 ILE HA H 29 3.731 3.524 0.207 1
1 275 . 1 1 1 A 29 29 ILE C C 29 179.073 177.903 1.170 1
1 276 . 1 1 1 A 29 29 ILE CA C 29 64.438 65.396 -0.958 1
1 277 . 1 1 1 A 29 29 ILE CB C 29 37.464 37.585 -0.121 1
1 281 . 1 1 1 A 29 29 ILE N N 29 119.136 119.965 -0.829 1
1 282 . 1 1 1 A 30 30 VAL H H 30 7.101 7.517 -0.416 1
1 283 . 1 1 1 A 30 30 VAL HA H 30 3.510 3.665 -0.155 1
1 291 . 1 1 1 A 30 30 VAL C C 30 178.913 178.251 0.662 1
1 292 . 1 1 1 A 30 30 VAL CA C 30 66.454 66.263 0.191 1
1 293 . 1 1 1 A 30 30 VAL CB C 30 31.972 31.574 0.398 1
1 296 . 1 1 1 A 30 30 VAL N N 30 118.445 119.997 -1.552 1
1 297 . 1 1 1 A 31 31 HIS H H 31 7.640 7.923 -0.283 1
1 298 . 1 1 1 A 31 31 HIS HA H 31 4.227 4.308 -0.081 1
1 303 . 1 1 1 A 31 31 HIS C C 31 178.068 176.964 1.104 1
1 304 . 1 1 1 A 31 31 HIS CA C 31 59.324 58.763 0.561 1
1 305 . 1 1 1 A 31 31 HIS CB C 31 28.585 30.419 -1.834 1
1 308 . 1 1 1 A 31 31 HIS N N 31 119.473 118.945 0.528 1
1 309 . 1 1 1 A 32 32 GLN H H 32 9.000 8.082 0.918 1
1 310 . 1 1 1 A 32 32 GLN HA H 32 3.726 4.143 -0.417 1
1 317 . 1 1 1 A 32 32 GLN C C 32 178.082 178.656 -0.574 1
1 318 . 1 1 1 A 32 32 GLN CA C 32 59.828 57.878 1.950 1
1 319 . 1 1 1 A 32 32 GLN CB C 32 28.009 28.358 -0.349 1
1 321 . 1 1 1 A 32 32 GLN N N 32 120.303 118.436 1.867 1
1 323 . 1 1 1 A 33 33 ARG H H 33 7.300 8.070 -0.770 1
1 324 . 1 1 1 A 33 33 ARG HA H 33 4.192 4.045 0.147 1
1 331 . 1 1 1 A 33 33 ARG C C 33 178.428 179.153 -0.725 1
1 332 . 1 1 1 A 33 33 ARG CA C 33 58.472 59.414 -0.942 1
1 333 . 1 1 1 A 33 33 ARG CB C 33 29.899 29.966 -0.067 1
1 336 . 1 1 1 A 33 33 ARG N N 33 117.936 120.699 -2.763 1
1 337 . 1 1 1 A 34 34 THR H H 34 7.787 7.741 0.046 1
1 338 . 1 1 1 A 34 34 THR HA H 34 4.127 3.936 0.191 1
1 343 . 1 1 1 A 34 34 THR C C 34 175.625 176.834 -1.209 1
1 344 . 1 1 1 A 34 34 THR CA C 34 64.023 65.924 -1.901 1
1 345 . 1 1 1 A 34 34 THR CB C 34 69.314 68.022 1.292 1
1 347 . 1 1 1 A 34 34 THR N N 34 109.902 114.801 -4.899 1
1 348 . 1 1 1 A 35 35 HIS H H 35 7.100 7.846 -0.746 1
1 349 . 1 1 1 A 35 35 HIS HA H 35 4.859 4.312 0.547 1
1 354 . 1 1 1 A 35 35 HIS C C 35 175.369 176.022 -0.653 1
1 355 . 1 1 1 A 35 35 HIS CA C 35 55.421 59.236 -3.815 1
1 356 . 1 1 1 A 35 35 HIS CB C 35 28.730 29.939 -1.209 1
1 359 . 1 1 1 A 35 35 HIS N N 35 118.308 117.458 0.850 1
1 360 . 1 1 1 A 36 36 SER H H 36 7.832 8.091 -0.259 1
1 361 . 1 1 1 A 36 36 SER HA H 36 4.488 4.104 0.384 1
1 364 . 1 1 1 A 36 36 SER C C 36 175.116 174.873 0.243 1
1 365 . 1 1 1 A 36 36 SER CA C 36 58.823 60.339 -1.516 1
1 366 . 1 1 1 A 36 36 SER CB C 36 63.948 63.650 0.298 1
1 367 . 1 1 1 A 36 36 SER N N 36 114.683 114.860 -0.177 1
1 368 . 1 1 1 A 37 37 GLY H H 37 8.324 8.438 -0.114 1
1 369 . 1 1 1 A 37 37 GLY HA2 H 37 4.012 4.186 -0.174 1
1 370 . 1 1 1 A 37 37 GLY HA3 H 37 4.012 4.192 -0.180 1
1 371 . 1 1 1 A 37 37 GLY C C 37 174.303 171.886 2.417 1
1 372 . 1 1 1 A 37 37 GLY CA C 37 45.417 45.823 -0.406 1
1 373 . 1 1 1 A 37 37 GLY N N 37 110.893 111.645 -0.752 1
1 374 . 1 1 1 A 38 38 GLU H H 38 8.206 8.486 -0.280 1
1 375 . 1 1 1 A 38 38 GLU HA H 38 4.331 4.941 -0.610 1
1 380 . 1 1 1 A 38 38 GLU C C 38 176.590 175.405 1.185 1
1 381 . 1 1 1 A 38 38 GLU CA C 38 56.589 55.442 1.147 1
1 382 . 1 1 1 A 38 38 GLU CB C 38 30.477 30.526 -0.049 1
1 384 . 1 1 1 A 38 38 GLU N N 38 120.603 120.961 -0.358 1
1 385 . 1 1 1 A 39 39 SER H H 39 8.416 8.728 -0.312 1
1 386 . 1 1 1 A 39 39 SER HA H 39 4.490 4.831 -0.341 1
1 389 . 1 1 1 A 39 39 SER C C 39 174.575 174.763 -0.188 1
1 390 . 1 1 1 A 39 39 SER CA C 39 58.289 57.590 0.699 1
1 391 . 1 1 1 A 39 39 SER CB C 39 63.935 65.526 -1.591 1
1 392 . 1 1 1 A 39 39 SER N N 39 116.772 121.317 -4.545 1
1 393 . 1 1 1 A 40 40 GLY H H 40 8.240 8.889 -0.649 1
1 394 . 1 1 1 A 40 40 GLY HA2 H 40 4.149 3.796 0.353 1
1 395 . 1 1 1 A 40 40 GLY HA3 H 40 4.051 3.797 0.254 1
1 396 . 1 1 1 A 40 40 GLY C C 40 171.726 173.571 -1.845 1
1 397 . 1 1 1 A 40 40 GLY CA C 40 44.662 47.006 -2.344 1
1 398 . 1 1 1 A 40 40 GLY N N 40 110.640 112.120 -1.480 1
1 399 . 1 1 1 A 41 41 PRO HA H 41 4.481 4.367 0.114 1
1 406 . 1 1 1 A 41 41 PRO C C 41 177.367 177.134 0.233 1
1 407 . 1 1 1 A 41 41 PRO CA C 41 63.234 63.011 0.223 1
1 408 . 1 1 1 A 41 41 PRO CB C 41 32.193 32.502 -0.309 1
1 411 . 1 1 1 A 42 42 SER H H 42 8.538 8.889 -0.351 1
1 412 . 1 1 1 A 42 42 SER C C 42 174.673 173.993 0.680 1
1 413 . 1 1 1 A 42 42 SER CA C 42 58.495 59.361 -0.866 1
1 414 . 1 1 1 A 42 42 SER CB C 42 64.033 62.084 1.949 1
1 1 . 2 1 1 A 7 7 GLY HA2 H 7 3.984 4.125 -0.141 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 3.984 4.142 -0.158 1
1 3 . 2 1 1 A 7 7 GLY C C 7 174.243 174.220 0.023 1
1 4 . 2 1 1 A 7 7 GLY CA C 7 45.345 45.446 -0.101 1
1 5 . 2 1 1 A 8 8 THR H H 8 8.056 7.969 0.087 1
1 6 . 2 1 1 A 8 8 THR HA H 8 4.351 4.691 -0.340 1
1 11 . 2 1 1 A 8 8 THR C C 8 174.506 173.677 0.829 1
1 12 . 2 1 1 A 8 8 THR CA C 8 61.679 61.687 -0.008 1
1 13 . 2 1 1 A 8 8 THR CB C 8 70.039 70.247 -0.208 1
1 15 . 2 1 1 A 8 8 THR N N 8 114.027 114.507 -0.480 1
1 16 . 2 1 1 A 9 9 ARG H H 9 8.379 8.475 -0.096 1
1 17 . 2 1 1 A 9 9 ARG HA H 9 4.291 4.865 -0.574 1
1 24 . 2 1 1 A 9 9 ARG C C 9 176.137 175.922 0.215 1
1 25 . 2 1 1 A 9 9 ARG CA C 9 56.291 54.338 1.953 1
1 26 . 2 1 1 A 9 9 ARG CB C 9 30.735 34.747 -4.012 1
1 29 . 2 1 1 A 9 9 ARG N N 9 123.323 125.406 -2.083 1
1 30 . 2 1 1 A 10 10 GLU H H 10 8.420 8.467 -0.047 1
1 31 . 2 1 1 A 10 10 GLU HA H 10 4.142 4.443 -0.301 1
1 36 . 2 1 1 A 10 10 GLU C C 10 176.102 175.309 0.793 1
1 37 . 2 1 1 A 10 10 GLU CA C 10 57.284 56.508 0.776 1
1 38 . 2 1 1 A 10 10 GLU CB C 10 30.289 29.921 0.368 1
1 40 . 2 1 1 A 10 10 GLU N N 10 121.984 120.757 1.227 1
1 41 . 2 1 1 A 11 11 LYS H H 11 8.035 7.233 0.802 1
1 42 . 2 1 1 A 11 11 LYS HA H 11 4.545 4.661 -0.116 1
1 51 . 2 1 1 A 11 11 LYS C C 11 173.979 176.194 -2.215 1
1 52 . 2 1 1 A 11 11 LYS CA C 11 53.589 52.824 0.765 1
1 53 . 2 1 1 A 11 11 LYS CB C 11 33.028 33.305 -0.277 1
1 57 . 2 1 1 A 11 11 LYS N N 11 120.453 120.281 0.172 1
1 58 . 2 1 1 A 12 12 PRO HA H 12 4.290 4.346 -0.056 1
1 65 . 2 1 1 A 12 12 PRO C C 12 176.186 175.984 0.202 1
1 66 . 2 1 1 A 12 12 PRO CA C 12 63.385 65.033 -1.648 1
1 67 . 2 1 1 A 12 12 PRO CB C 12 32.283 31.706 0.577 1
1 70 . 2 1 1 A 13 13 TYR H H 13 8.036 7.361 0.675 1
1 71 . 2 1 1 A 13 13 TYR HA H 13 4.568 4.709 -0.141 1
1 78 . 2 1 1 A 13 13 TYR C C 13 174.612 176.585 -1.973 1
1 79 . 2 1 1 A 13 13 TYR CA C 13 57.760 58.557 -0.797 1
1 80 . 2 1 1 A 13 13 TYR CB C 13 38.387 39.909 -1.522 1
1 85 . 2 1 1 A 13 13 TYR N N 13 118.849 118.257 0.592 1
1 86 . 2 1 1 A 14 14 GLU H H 14 8.552 9.217 -0.665 1
1 87 . 2 1 1 A 14 14 GLU HA H 14 4.923 5.497 -0.574 1
1 92 . 2 1 1 A 14 14 GLU C C 14 175.204 175.414 -0.210 1
1 93 . 2 1 1 A 14 14 GLU CA C 14 54.910 54.364 0.546 1
1 94 . 2 1 1 A 14 14 GLU CB C 14 33.000 33.733 -0.733 1
1 96 . 2 1 1 A 14 14 GLU N N 14 123.988 121.367 2.621 1
1 97 . 2 1 1 A 15 15 CYS H H 15 9.288 8.897 0.391 1
1 98 . 2 1 1 A 15 15 CYS HA H 15 4.591 4.582 0.009 1
1 101 . 2 1 1 A 15 15 CYS C C 15 177.502 176.830 0.672 1
1 102 . 2 1 1 A 15 15 CYS CA C 15 59.594 59.518 0.076 1
1 103 . 2 1 1 A 15 15 CYS CB C 15 29.754 28.389 1.365 1
1 104 . 2 1 1 A 15 15 CYS N N 15 126.830 123.689 3.141 1
1 105 . 2 1 1 A 16 16 SER H H 16 9.383 9.078 0.305 1
1 106 . 2 1 1 A 16 16 SER HA H 16 4.287 4.422 -0.135 1
1 109 . 2 1 1 A 16 16 SER C C 16 174.508 174.864 -0.356 1
1 110 . 2 1 1 A 16 16 SER CA C 16 60.955 60.017 0.938 1
1 111 . 2 1 1 A 16 16 SER CB C 16 63.100 63.302 -0.202 1
1 112 . 2 1 1 A 16 16 SER N N 16 128.427 123.088 5.339 1
1 113 . 2 1 1 A 17 17 GLU H H 17 8.727 7.453 1.274 1
1 114 . 2 1 1 A 17 17 GLU HA H 17 4.258 4.302 -0.044 1
1 119 . 2 1 1 A 17 17 GLU C C 17 177.133 177.995 -0.862 1
1 120 . 2 1 1 A 17 17 GLU CA C 17 58.110 57.714 0.396 1
1 121 . 2 1 1 A 17 17 GLU CB C 17 29.738 30.163 -0.425 1
1 123 . 2 1 1 A 17 17 GLU N N 17 123.127 119.227 3.900 1
1 124 . 2 1 1 A 18 18 CYS H H 18 7.939 8.016 -0.077 1
1 125 . 2 1 1 A 18 18 CYS HA H 18 5.177 4.705 0.472 1
1 128 . 2 1 1 A 18 18 CYS C C 18 176.246 175.647 0.599 1
1 129 . 2 1 1 A 18 18 CYS CA C 18 58.259 59.267 -1.008 1
1 130 . 2 1 1 A 18 18 CYS CB C 18 32.602 30.294 2.308 1
1 131 . 2 1 1 A 18 18 CYS N N 18 114.781 115.002 -0.221 1
1 132 . 2 1 1 A 19 19 GLY H H 19 8.186 8.089 0.097 1
1 133 . 2 1 1 A 19 19 GLY HA2 H 19 4.233 4.046 0.187 1
1 134 . 2 1 1 A 19 19 GLY HA3 H 19 3.870 4.055 -0.185 1
1 135 . 2 1 1 A 19 19 GLY C C 19 173.749 174.465 -0.716 1
1 136 . 2 1 1 A 19 19 GLY CA C 19 46.118 45.061 1.057 1
1 137 . 2 1 1 A 19 19 GLY N N 19 113.365 110.091 3.274 1
1 138 . 2 1 1 A 20 20 LYS H H 20 8.006 7.540 0.466 1
1 139 . 2 1 1 A 20 20 LYS HA H 20 3.923 4.181 -0.258 1
1 148 . 2 1 1 A 20 20 LYS C C 20 173.687 175.383 -1.696 1
1 149 . 2 1 1 A 20 20 LYS CA C 20 58.226 56.204 2.022 1
1 150 . 2 1 1 A 20 20 LYS CB C 20 33.596 33.195 0.401 1
1 154 . 2 1 1 A 20 20 LYS N N 20 123.138 122.596 0.542 1
1 155 . 2 1 1 A 21 21 ALA H H 21 7.748 7.982 -0.234 1
1 156 . 2 1 1 A 21 21 ALA HA H 21 5.177 5.532 -0.355 1
1 160 . 2 1 1 A 21 21 ALA C C 21 176.281 175.068 1.213 1
1 161 . 2 1 1 A 21 21 ALA CA C 21 50.328 50.729 -0.401 1
1 162 . 2 1 1 A 21 21 ALA CB C 21 22.412 23.426 -1.014 1
1 163 . 2 1 1 A 21 21 ALA N N 21 123.859 124.399 -0.540 1
1 164 . 2 1 1 A 22 22 PHE H H 22 8.670 9.088 -0.418 1
1 165 . 2 1 1 A 22 22 PHE HA H 22 4.744 5.000 -0.256 1
1 173 . 2 1 1 A 22 22 PHE C C 22 175.220 175.779 -0.559 1
1 174 . 2 1 1 A 22 22 PHE CA C 22 57.170 56.667 0.503 1
1 175 . 2 1 1 A 22 22 PHE CB C 22 43.555 43.611 -0.056 1
1 181 . 2 1 1 A 22 22 PHE N N 22 117.277 116.270 1.007 1
1 182 . 2 1 1 A 23 23 ILE H H 23 8.681 8.656 0.025 1
1 183 . 2 1 1 A 23 23 ILE HA H 23 4.317 4.270 0.047 1
1 193 . 2 1 1 A 23 23 ILE C C 23 175.969 176.622 -0.653 1
1 194 . 2 1 1 A 23 23 ILE CA C 23 63.252 62.870 0.382 1
1 195 . 2 1 1 A 23 23 ILE CB C 23 38.840 38.866 -0.026 1
1 199 . 2 1 1 A 23 23 ILE N N 23 119.186 121.085 -1.899 1
1 200 . 2 1 1 A 24 24 ARG H H 24 7.716 7.872 -0.156 1
1 201 . 2 1 1 A 24 24 ARG HA H 24 4.794 4.691 0.103 1
1 208 . 2 1 1 A 24 24 ARG C C 24 176.531 175.545 0.986 1
1 209 . 2 1 1 A 24 24 ARG CA C 24 53.902 54.171 -0.269 1
1 210 . 2 1 1 A 24 24 ARG CB C 24 33.380 32.919 0.461 1
1 213 . 2 1 1 A 24 24 ARG N N 24 115.336 120.861 -5.525 1
1 214 . 2 1 1 A 25 25 ASN H H 25 8.492 8.204 0.288 1
1 215 . 2 1 1 A 25 25 ASN HA H 25 3.587 3.300 0.287 1
1 220 . 2 1 1 A 25 25 ASN C C 25 177.332 176.754 0.578 1
1 221 . 2 1 1 A 25 25 ASN CA C 25 56.127 56.456 -0.329 1
1 222 . 2 1 1 A 25 25 ASN CB C 25 38.325 38.385 -0.060 1
1 223 . 2 1 1 A 25 25 ASN N N 25 124.604 122.408 2.196 1
1 225 . 2 1 1 A 26 26 SER HA H 26 3.868 4.121 -0.253 1
1 228 . 2 1 1 A 26 26 SER C C 26 176.671 177.155 -0.484 1
1 229 . 2 1 1 A 26 26 SER CA C 26 61.484 61.359 0.125 1
1 230 . 2 1 1 A 26 26 SER CB C 26 59.671 62.625 -2.954 1
1 231 . 2 1 1 A 26 26 SER N N 26 116.000 114.322 1.678 1
1 232 . 2 1 1 A 27 27 GLN H H 27 6.676 7.701 -1.025 1
1 233 . 2 1 1 A 27 27 GLN HA H 27 3.939 3.946 -0.007 1
1 240 . 2 1 1 A 27 27 GLN C C 27 178.435 177.797 0.638 1
1 241 . 2 1 1 A 27 27 GLN CA C 27 57.514 58.642 -1.128 1
1 242 . 2 1 1 A 27 27 GLN CB C 27 28.989 28.351 0.638 1
1 244 . 2 1 1 A 27 27 GLN N N 27 119.416 122.020 -2.604 1
1 246 . 2 1 1 A 28 28 LEU H H 28 6.916 7.420 -0.504 1
1 247 . 2 1 1 A 28 28 LEU HA H 28 3.284 2.030 1.254 1
1 257 . 2 1 1 A 28 28 LEU C C 28 177.490 178.170 -0.680 1
1 258 . 2 1 1 A 28 28 LEU CA C 28 57.911 57.447 0.464 1
1 259 . 2 1 1 A 28 28 LEU CB C 28 40.185 41.498 -1.313 1
1 263 . 2 1 1 A 28 28 LEU N N 28 122.389 120.939 1.450 1
1 264 . 2 1 1 A 29 29 ILE H H 29 7.971 7.864 0.107 1
1 265 . 2 1 1 A 29 29 ILE HA H 29 3.731 3.573 0.158 1
1 275 . 2 1 1 A 29 29 ILE C C 29 179.073 178.197 0.876 1
1 276 . 2 1 1 A 29 29 ILE CA C 29 64.438 65.327 -0.889 1
1 277 . 2 1 1 A 29 29 ILE CB C 29 37.464 37.595 -0.131 1
1 281 . 2 1 1 A 29 29 ILE N N 29 119.136 119.942 -0.806 1
1 282 . 2 1 1 A 30 30 VAL H H 30 7.101 7.464 -0.363 1
1 283 . 2 1 1 A 30 30 VAL HA H 30 3.510 3.655 -0.145 1
1 291 . 2 1 1 A 30 30 VAL C C 30 178.913 178.230 0.683 1
1 292 . 2 1 1 A 30 30 VAL CA C 30 66.454 66.285 0.169 1
1 293 . 2 1 1 A 30 30 VAL CB C 30 31.972 31.442 0.530 1
1 296 . 2 1 1 A 30 30 VAL N N 30 118.445 120.024 -1.579 1
1 297 . 2 1 1 A 31 31 HIS H H 31 7.640 8.294 -0.654 1
1 298 . 2 1 1 A 31 31 HIS HA H 31 4.227 4.233 -0.006 1
1 303 . 2 1 1 A 31 31 HIS C C 31 178.068 176.973 1.095 1
1 304 . 2 1 1 A 31 31 HIS CA C 31 59.324 58.918 0.406 1
1 305 . 2 1 1 A 31 31 HIS CB C 31 28.585 30.252 -1.667 1
1 308 . 2 1 1 A 31 31 HIS N N 31 119.473 118.865 0.608 1
1 309 . 2 1 1 A 32 32 GLN H H 32 9.000 7.834 1.166 1
1 310 . 2 1 1 A 32 32 GLN HA H 32 3.726 4.131 -0.405 1
1 317 . 2 1 1 A 32 32 GLN C C 32 178.082 178.407 -0.325 1
1 318 . 2 1 1 A 32 32 GLN CA C 32 59.828 58.193 1.635 1
1 319 . 2 1 1 A 32 32 GLN CB C 32 28.009 28.175 -0.166 1
1 321 . 2 1 1 A 32 32 GLN N N 32 120.303 118.361 1.942 1
1 323 . 2 1 1 A 33 33 ARG H H 33 7.300 7.870 -0.570 1
1 324 . 2 1 1 A 33 33 ARG HA H 33 4.192 3.985 0.207 1
1 331 . 2 1 1 A 33 33 ARG C C 33 178.428 179.177 -0.749 1
1 332 . 2 1 1 A 33 33 ARG CA C 33 58.472 59.327 -0.855 1
1 333 . 2 1 1 A 33 33 ARG CB C 33 29.899 29.948 -0.049 1
1 336 . 2 1 1 A 33 33 ARG N N 33 117.936 120.736 -2.800 1
1 337 . 2 1 1 A 34 34 THR H H 34 7.787 7.739 0.048 1
1 338 . 2 1 1 A 34 34 THR HA H 34 4.127 3.968 0.159 1
1 343 . 2 1 1 A 34 34 THR C C 34 175.625 177.027 -1.402 1
1 344 . 2 1 1 A 34 34 THR CA C 34 64.023 65.429 -1.406 1
1 345 . 2 1 1 A 34 34 THR CB C 34 69.314 68.193 1.121 1
1 347 . 2 1 1 A 34 34 THR N N 34 109.902 114.036 -4.134 1
1 348 . 2 1 1 A 35 35 HIS H H 35 7.100 8.051 -0.951 1
1 349 . 2 1 1 A 35 35 HIS HA H 35 4.859 4.216 0.643 1
1 354 . 2 1 1 A 35 35 HIS C C 35 175.369 177.592 -2.223 1
1 355 . 2 1 1 A 35 35 HIS CA C 35 55.421 59.812 -4.391 1
1 356 . 2 1 1 A 35 35 HIS CB C 35 28.730 29.419 -0.689 1
1 359 . 2 1 1 A 35 35 HIS N N 35 118.308 120.112 -1.804 1
1 360 . 2 1 1 A 36 36 SER H H 36 7.832 8.353 -0.521 1
1 361 . 2 1 1 A 36 36 SER HA H 36 4.488 4.062 0.426 1
1 364 . 2 1 1 A 36 36 SER C C 36 175.116 177.119 -2.003 1
1 365 . 2 1 1 A 36 36 SER CA C 36 58.823 62.604 -3.781 1
1 366 . 2 1 1 A 36 36 SER CB C 36 63.948 62.455 1.493 1
1 367 . 2 1 1 A 36 36 SER N N 36 114.683 116.125 -1.442 1
1 368 . 2 1 1 A 37 37 GLY H H 37 8.324 8.417 -0.093 1
1 369 . 2 1 1 A 37 37 GLY HA2 H 37 4.012 3.738 0.274 1
1 370 . 2 1 1 A 37 37 GLY HA3 H 37 4.012 3.746 0.266 1
1 371 . 2 1 1 A 37 37 GLY C C 37 174.303 175.322 -1.019 1
1 372 . 2 1 1 A 37 37 GLY CA C 37 45.417 47.124 -1.707 1
1 373 . 2 1 1 A 37 37 GLY N N 37 110.893 109.979 0.914 1
1 374 . 2 1 1 A 38 38 GLU H H 38 8.206 8.111 0.095 1
1 375 . 2 1 1 A 38 38 GLU HA H 38 4.331 4.347 -0.016 1
1 380 . 2 1 1 A 38 38 GLU C C 38 176.590 176.420 0.170 1
1 381 . 2 1 1 A 38 38 GLU CA C 38 56.589 56.610 -0.021 1
1 382 . 2 1 1 A 38 38 GLU CB C 38 30.477 30.545 -0.068 1
1 384 . 2 1 1 A 38 38 GLU N N 38 120.603 120.411 0.192 1
1 385 . 2 1 1 A 39 39 SER H H 39 8.416 8.781 -0.365 1
1 386 . 2 1 1 A 39 39 SER HA H 39 4.490 4.898 -0.408 1
1 389 . 2 1 1 A 39 39 SER C C 39 174.575 172.755 1.820 1
1 390 . 2 1 1 A 39 39 SER CA C 39 58.289 57.114 1.175 1
1 391 . 2 1 1 A 39 39 SER CB C 39 63.935 65.914 -1.979 1
1 392 . 2 1 1 A 39 39 SER N N 39 116.772 116.929 -0.157 1
1 393 . 2 1 1 A 40 40 GLY H H 40 8.240 8.408 -0.168 1
1 394 . 2 1 1 A 40 40 GLY HA2 H 40 4.149 4.295 -0.146 1
1 395 . 2 1 1 A 40 40 GLY HA3 H 40 4.051 4.299 -0.248 1
1 396 . 2 1 1 A 40 40 GLY C C 40 171.726 170.994 0.732 1
1 397 . 2 1 1 A 40 40 GLY CA C 40 44.662 45.576 -0.914 1
1 398 . 2 1 1 A 40 40 GLY N N 40 110.640 109.491 1.149 1
1 399 . 2 1 1 A 41 41 PRO HA H 41 4.481 4.523 -0.042 1
1 406 . 2 1 1 A 41 41 PRO C C 41 177.367 176.402 0.965 1
1 407 . 2 1 1 A 41 41 PRO CA C 41 63.234 62.717 0.517 1
1 408 . 2 1 1 A 41 41 PRO CB C 41 32.193 32.216 -0.023 1
1 411 . 2 1 1 A 42 42 SER H H 42 8.538 8.456 0.082 1
1 412 . 2 1 1 A 42 42 SER C C 42 174.673 174.042 0.631 1
1 413 . 2 1 1 A 42 42 SER CA C 42 58.495 60.278 -1.783 1
1 414 . 2 1 1 A 42 42 SER CB C 42 64.033 62.800 1.233 1
1 1 . 3 1 1 A 7 7 GLY HA2 H 7 3.984 4.260 -0.276 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 3.984 4.262 -0.278 1
1 3 . 3 1 1 A 7 7 GLY C C 7 174.243 172.237 2.006 1
1 4 . 3 1 1 A 7 7 GLY CA C 7 45.345 45.369 -0.024 1
1 5 . 3 1 1 A 8 8 THR H H 8 8.056 8.276 -0.220 1
1 6 . 3 1 1 A 8 8 THR HA H 8 4.351 4.968 -0.617 1
1 11 . 3 1 1 A 8 8 THR C C 8 174.506 172.846 1.660 1
1 12 . 3 1 1 A 8 8 THR CA C 8 61.679 60.025 1.654 1
1 13 . 3 1 1 A 8 8 THR CB C 8 70.039 71.568 -1.529 1
1 15 . 3 1 1 A 8 8 THR N N 8 114.027 114.181 -0.154 1
1 16 . 3 1 1 A 9 9 ARG H H 9 8.379 8.862 -0.483 1
1 17 . 3 1 1 A 9 9 ARG HA H 9 4.291 4.449 -0.158 1
1 24 . 3 1 1 A 9 9 ARG C C 9 176.137 175.845 0.292 1
1 25 . 3 1 1 A 9 9 ARG CA C 9 56.291 56.265 0.026 1
1 26 . 3 1 1 A 9 9 ARG CB C 9 30.735 30.563 0.172 1
1 29 . 3 1 1 A 9 9 ARG N N 9 123.323 126.581 -3.258 1
1 30 . 3 1 1 A 10 10 GLU H H 10 8.420 8.854 -0.434 1
1 31 . 3 1 1 A 10 10 GLU HA H 10 4.142 4.483 -0.341 1
1 36 . 3 1 1 A 10 10 GLU C C 10 176.102 175.161 0.941 1
1 37 . 3 1 1 A 10 10 GLU CA C 10 57.284 55.578 1.706 1
1 38 . 3 1 1 A 10 10 GLU CB C 10 30.289 28.381 1.908 1
1 40 . 3 1 1 A 10 10 GLU N N 10 121.984 125.855 -3.871 1
1 41 . 3 1 1 A 11 11 LYS H H 11 8.035 7.196 0.839 1
1 42 . 3 1 1 A 11 11 LYS HA H 11 4.545 4.815 -0.270 1
1 51 . 3 1 1 A 11 11 LYS C C 11 173.979 176.033 -2.054 1
1 52 . 3 1 1 A 11 11 LYS CA C 11 53.589 52.921 0.668 1
1 53 . 3 1 1 A 11 11 LYS CB C 11 33.028 34.371 -1.343 1
1 57 . 3 1 1 A 11 11 LYS N N 11 120.453 120.680 -0.227 1
1 58 . 3 1 1 A 12 12 PRO HA H 12 4.290 4.335 -0.045 1
1 65 . 3 1 1 A 12 12 PRO C C 12 176.186 176.035 0.151 1
1 66 . 3 1 1 A 12 12 PRO CA C 12 63.385 64.748 -1.363 1
1 67 . 3 1 1 A 12 12 PRO CB C 12 32.283 31.759 0.524 1
1 70 . 3 1 1 A 13 13 TYR H H 13 8.036 7.302 0.734 1
1 71 . 3 1 1 A 13 13 TYR HA H 13 4.568 4.769 -0.201 1
1 78 . 3 1 1 A 13 13 TYR C C 13 174.612 176.208 -1.596 1
1 79 . 3 1 1 A 13 13 TYR CA C 13 57.760 58.208 -0.448 1
1 80 . 3 1 1 A 13 13 TYR CB C 13 38.387 39.340 -0.953 1
1 85 . 3 1 1 A 13 13 TYR N N 13 118.849 118.264 0.585 1
1 86 . 3 1 1 A 14 14 GLU H H 14 8.552 9.100 -0.548 1
1 87 . 3 1 1 A 14 14 GLU HA H 14 4.923 5.513 -0.590 1
1 92 . 3 1 1 A 14 14 GLU C C 14 175.204 175.504 -0.300 1
1 93 . 3 1 1 A 14 14 GLU CA C 14 54.910 54.411 0.499 1
1 94 . 3 1 1 A 14 14 GLU CB C 14 33.000 33.446 -0.446 1
1 96 . 3 1 1 A 14 14 GLU N N 14 123.988 122.305 1.683 1
1 97 . 3 1 1 A 15 15 CYS H H 15 9.288 9.039 0.249 1
1 98 . 3 1 1 A 15 15 CYS HA H 15 4.591 4.553 0.038 1
1 101 . 3 1 1 A 15 15 CYS C C 15 177.502 176.395 1.107 1
1 102 . 3 1 1 A 15 15 CYS CA C 15 59.594 59.811 -0.217 1
1 103 . 3 1 1 A 15 15 CYS CB C 15 29.754 28.743 1.011 1
1 104 . 3 1 1 A 15 15 CYS N N 15 126.830 124.318 2.512 1
1 105 . 3 1 1 A 16 16 SER H H 16 9.383 9.170 0.213 1
1 106 . 3 1 1 A 16 16 SER HA H 16 4.287 4.609 -0.322 1
1 109 . 3 1 1 A 16 16 SER C C 16 174.508 175.314 -0.806 1
1 110 . 3 1 1 A 16 16 SER CA C 16 60.955 58.783 2.172 1
1 111 . 3 1 1 A 16 16 SER CB C 16 63.100 63.058 0.042 1
1 112 . 3 1 1 A 16 16 SER N N 16 128.427 122.874 5.553 1
1 113 . 3 1 1 A 17 17 GLU H H 17 8.727 7.903 0.824 1
1 114 . 3 1 1 A 17 17 GLU HA H 17 4.258 4.390 -0.132 1
1 119 . 3 1 1 A 17 17 GLU C C 17 177.133 177.792 -0.659 1
1 120 . 3 1 1 A 17 17 GLU CA C 17 58.110 57.118 0.992 1
1 121 . 3 1 1 A 17 17 GLU CB C 17 29.738 31.084 -1.346 1
1 123 . 3 1 1 A 17 17 GLU N N 17 123.127 120.437 2.690 1
1 124 . 3 1 1 A 18 18 CYS H H 18 7.939 8.098 -0.159 1
1 125 . 3 1 1 A 18 18 CYS HA H 18 5.177 4.684 0.493 1
1 128 . 3 1 1 A 18 18 CYS C C 18 176.246 175.496 0.750 1
1 129 . 3 1 1 A 18 18 CYS CA C 18 58.259 59.598 -1.339 1
1 130 . 3 1 1 A 18 18 CYS CB C 18 32.602 29.963 2.639 1
1 131 . 3 1 1 A 18 18 CYS N N 18 114.781 114.564 0.217 1
1 132 . 3 1 1 A 19 19 GLY H H 19 8.186 7.999 0.187 1
1 133 . 3 1 1 A 19 19 GLY HA2 H 19 4.233 4.087 0.146 1
1 134 . 3 1 1 A 19 19 GLY HA3 H 19 3.870 4.099 -0.229 1
1 135 . 3 1 1 A 19 19 GLY C C 19 173.749 174.551 -0.802 1
1 136 . 3 1 1 A 19 19 GLY CA C 19 46.118 45.032 1.086 1
1 137 . 3 1 1 A 19 19 GLY N N 19 113.365 109.894 3.471 1
1 138 . 3 1 1 A 20 20 LYS H H 20 8.006 7.624 0.382 1
1 139 . 3 1 1 A 20 20 LYS HA H 20 3.923 4.182 -0.259 1
1 148 . 3 1 1 A 20 20 LYS C C 20 173.687 175.374 -1.687 1
1 149 . 3 1 1 A 20 20 LYS CA C 20 58.226 56.282 1.944 1
1 150 . 3 1 1 A 20 20 LYS CB C 20 33.596 33.324 0.272 1
1 154 . 3 1 1 A 20 20 LYS N N 20 123.138 122.580 0.558 1
1 155 . 3 1 1 A 21 21 ALA H H 21 7.748 8.115 -0.367 1
1 156 . 3 1 1 A 21 21 ALA HA H 21 5.177 5.606 -0.429 1
1 160 . 3 1 1 A 21 21 ALA C C 21 176.281 175.020 1.261 1
1 161 . 3 1 1 A 21 21 ALA CA C 21 50.328 50.511 -0.183 1
1 162 . 3 1 1 A 21 21 ALA CB C 21 22.412 23.558 -1.146 1
1 163 . 3 1 1 A 21 21 ALA N N 21 123.859 124.614 -0.755 1
1 164 . 3 1 1 A 22 22 PHE H H 22 8.670 9.203 -0.533 1
1 165 . 3 1 1 A 22 22 PHE HA H 22 4.744 5.029 -0.285 1
1 173 . 3 1 1 A 22 22 PHE C C 22 175.220 175.729 -0.509 1
1 174 . 3 1 1 A 22 22 PHE CA C 22 57.170 56.699 0.471 1
1 175 . 3 1 1 A 22 22 PHE CB C 22 43.555 43.599 -0.044 1
1 181 . 3 1 1 A 22 22 PHE N N 22 117.277 116.282 0.995 1
1 182 . 3 1 1 A 23 23 ILE H H 23 8.681 8.747 -0.066 1
1 183 . 3 1 1 A 23 23 ILE HA H 23 4.317 4.294 0.023 1
1 193 . 3 1 1 A 23 23 ILE C C 23 175.969 176.385 -0.416 1
1 194 . 3 1 1 A 23 23 ILE CA C 23 63.252 62.658 0.594 1
1 195 . 3 1 1 A 23 23 ILE CB C 23 38.840 38.780 0.060 1
1 199 . 3 1 1 A 23 23 ILE N N 23 119.186 120.486 -1.300 1
1 200 . 3 1 1 A 24 24 ARG H H 24 7.716 7.753 -0.037 1
1 201 . 3 1 1 A 24 24 ARG HA H 24 4.794 4.660 0.134 1
1 208 . 3 1 1 A 24 24 ARG C C 24 176.531 175.536 0.995 1
1 209 . 3 1 1 A 24 24 ARG CA C 24 53.902 54.060 -0.158 1
1 210 . 3 1 1 A 24 24 ARG CB C 24 33.380 32.830 0.550 1
1 213 . 3 1 1 A 24 24 ARG N N 24 115.336 120.648 -5.312 1
1 214 . 3 1 1 A 25 25 ASN H H 25 8.492 8.202 0.290 1
1 215 . 3 1 1 A 25 25 ASN HA H 25 3.587 3.116 0.471 1
1 220 . 3 1 1 A 25 25 ASN C C 25 177.332 176.759 0.573 1
1 221 . 3 1 1 A 25 25 ASN CA C 25 56.127 56.285 -0.158 1
1 222 . 3 1 1 A 25 25 ASN CB C 25 38.325 38.433 -0.108 1
1 223 . 3 1 1 A 25 25 ASN N N 25 124.604 122.426 2.178 1
1 225 . 3 1 1 A 26 26 SER HA H 26 3.868 4.003 -0.135 1
1 228 . 3 1 1 A 26 26 SER C C 26 176.671 176.412 0.259 1
1 229 . 3 1 1 A 26 26 SER CA C 26 61.484 61.746 -0.262 1
1 230 . 3 1 1 A 26 26 SER CB C 26 59.671 62.955 -3.284 1
1 231 . 3 1 1 A 26 26 SER N N 26 116.000 115.739 0.261 1
1 232 . 3 1 1 A 27 27 GLN H H 27 6.676 7.927 -1.251 1
1 233 . 3 1 1 A 27 27 GLN HA H 27 3.939 3.954 -0.015 1
1 240 . 3 1 1 A 27 27 GLN C C 27 178.435 178.165 0.270 1
1 241 . 3 1 1 A 27 27 GLN CA C 27 57.514 58.804 -1.290 1
1 242 . 3 1 1 A 27 27 GLN CB C 27 28.989 28.154 0.835 1
1 244 . 3 1 1 A 27 27 GLN N N 27 119.416 121.030 -1.614 1
1 246 . 3 1 1 A 28 28 LEU H H 28 6.916 7.447 -0.531 1
1 247 . 3 1 1 A 28 28 LEU HA H 28 3.284 2.158 1.126 1
1 257 . 3 1 1 A 28 28 LEU C C 28 177.490 178.401 -0.911 1
1 258 . 3 1 1 A 28 28 LEU CA C 28 57.911 57.303 0.608 1
1 259 . 3 1 1 A 28 28 LEU CB C 28 40.185 41.352 -1.167 1
1 263 . 3 1 1 A 28 28 LEU N N 28 122.389 120.259 2.130 1
1 264 . 3 1 1 A 29 29 ILE H H 29 7.971 7.939 0.032 1
1 265 . 3 1 1 A 29 29 ILE HA H 29 3.731 3.530 0.201 1
1 275 . 3 1 1 A 29 29 ILE C C 29 179.073 177.934 1.139 1
1 276 . 3 1 1 A 29 29 ILE CA C 29 64.438 65.342 -0.904 1
1 277 . 3 1 1 A 29 29 ILE CB C 29 37.464 37.731 -0.267 1
1 281 . 3 1 1 A 29 29 ILE N N 29 119.136 119.944 -0.808 1
1 282 . 3 1 1 A 30 30 VAL H H 30 7.101 7.569 -0.468 1
1 283 . 3 1 1 A 30 30 VAL HA H 30 3.510 3.668 -0.158 1
1 291 . 3 1 1 A 30 30 VAL C C 30 178.913 177.911 1.002 1
1 292 . 3 1 1 A 30 30 VAL CA C 30 66.454 66.246 0.208 1
1 293 . 3 1 1 A 30 30 VAL CB C 30 31.972 31.449 0.523 1
1 296 . 3 1 1 A 30 30 VAL N N 30 118.445 119.993 -1.548 1
1 297 . 3 1 1 A 31 31 HIS H H 31 7.640 8.054 -0.414 1
1 298 . 3 1 1 A 31 31 HIS HA H 31 4.227 4.211 0.016 1
1 303 . 3 1 1 A 31 31 HIS C C 31 178.068 177.442 0.626 1
1 304 . 3 1 1 A 31 31 HIS CA C 31 59.324 60.427 -1.103 1
1 305 . 3 1 1 A 31 31 HIS CB C 31 28.585 29.615 -1.030 1
1 308 . 3 1 1 A 31 31 HIS N N 31 119.473 119.111 0.362 1
1 309 . 3 1 1 A 32 32 GLN H H 32 9.000 8.096 0.904 1
1 310 . 3 1 1 A 32 32 GLN HA H 32 3.726 3.797 -0.071 1
1 317 . 3 1 1 A 32 32 GLN C C 32 178.082 179.049 -0.967 1
1 318 . 3 1 1 A 32 32 GLN CA C 32 59.828 59.255 0.573 1
1 319 . 3 1 1 A 32 32 GLN CB C 32 28.009 28.198 -0.189 1
1 321 . 3 1 1 A 32 32 GLN N N 32 120.303 119.453 0.850 1
1 323 . 3 1 1 A 33 33 ARG H H 33 7.300 7.736 -0.436 1
1 324 . 3 1 1 A 33 33 ARG HA H 33 4.192 4.060 0.132 1
1 331 . 3 1 1 A 33 33 ARG C C 33 178.428 178.944 -0.516 1
1 332 . 3 1 1 A 33 33 ARG CA C 33 58.472 59.299 -0.827 1
1 333 . 3 1 1 A 33 33 ARG CB C 33 29.899 29.897 0.002 1
1 336 . 3 1 1 A 33 33 ARG N N 33 117.936 120.263 -2.327 1
1 337 . 3 1 1 A 34 34 THR H H 34 7.787 7.762 0.025 1
1 338 . 3 1 1 A 34 34 THR HA H 34 4.127 3.962 0.165 1
1 343 . 3 1 1 A 34 34 THR C C 34 175.625 177.195 -1.570 1
1 344 . 3 1 1 A 34 34 THR CA C 34 64.023 65.658 -1.635 1
1 345 . 3 1 1 A 34 34 THR CB C 34 69.314 67.996 1.318 1
1 347 . 3 1 1 A 34 34 THR N N 34 109.902 113.303 -3.401 1
1 348 . 3 1 1 A 35 35 HIS H H 35 7.100 7.427 -0.327 1
1 349 . 3 1 1 A 35 35 HIS HA H 35 4.859 4.320 0.539 1
1 354 . 3 1 1 A 35 35 HIS C C 35 175.369 175.669 -0.300 1
1 355 . 3 1 1 A 35 35 HIS CA C 35 55.421 59.413 -3.992 1
1 356 . 3 1 1 A 35 35 HIS CB C 35 28.730 30.081 -1.351 1
1 359 . 3 1 1 A 35 35 HIS N N 35 118.308 119.936 -1.628 1
1 360 . 3 1 1 A 36 36 SER H H 36 7.832 7.354 0.478 1
1 361 . 3 1 1 A 36 36 SER HA H 36 4.488 4.338 0.150 1
1 364 . 3 1 1 A 36 36 SER C C 36 175.116 174.304 0.812 1
1 365 . 3 1 1 A 36 36 SER CA C 36 58.823 59.114 -0.291 1
1 366 . 3 1 1 A 36 36 SER CB C 36 63.948 64.144 -0.196 1
1 367 . 3 1 1 A 36 36 SER N N 36 114.683 112.651 2.032 1
1 368 . 3 1 1 A 37 37 GLY H H 37 8.324 8.509 -0.185 1
1 369 . 3 1 1 A 37 37 GLY HA2 H 37 4.012 4.174 -0.162 1
1 370 . 3 1 1 A 37 37 GLY HA3 H 37 4.012 4.176 -0.164 1
1 371 . 3 1 1 A 37 37 GLY C C 37 174.303 173.671 0.632 1
1 372 . 3 1 1 A 37 37 GLY CA C 37 45.417 44.343 1.074 1
1 373 . 3 1 1 A 37 37 GLY N N 37 110.893 108.869 2.024 1
1 374 . 3 1 1 A 38 38 GLU H H 38 8.206 8.806 -0.600 1
1 375 . 3 1 1 A 38 38 GLU HA H 38 4.331 3.808 0.523 1
1 380 . 3 1 1 A 38 38 GLU C C 38 176.590 175.047 1.543 1
1 381 . 3 1 1 A 38 38 GLU CA C 38 56.589 57.219 -0.630 1
1 382 . 3 1 1 A 38 38 GLU CB C 38 30.477 27.848 2.629 1
1 384 . 3 1 1 A 38 38 GLU N N 38 120.603 119.148 1.455 1
1 385 . 3 1 1 A 39 39 SER H H 39 8.416 7.826 0.590 1
1 386 . 3 1 1 A 39 39 SER HA H 39 4.490 4.710 -0.220 1
1 389 . 3 1 1 A 39 39 SER C C 39 174.575 173.927 0.648 1
1 390 . 3 1 1 A 39 39 SER CA C 39 58.289 58.193 0.096 1
1 391 . 3 1 1 A 39 39 SER CB C 39 63.935 63.912 0.023 1
1 392 . 3 1 1 A 39 39 SER N N 39 116.772 113.169 3.603 1
1 393 . 3 1 1 A 40 40 GLY H H 40 8.240 8.237 0.003 1
1 394 . 3 1 1 A 40 40 GLY HA2 H 40 4.149 4.215 -0.066 1
1 395 . 3 1 1 A 40 40 GLY HA3 H 40 4.051 4.216 -0.165 1
1 396 . 3 1 1 A 40 40 GLY C C 40 171.726 172.198 -0.472 1
1 397 . 3 1 1 A 40 40 GLY CA C 40 44.662 46.115 -1.453 1
1 398 . 3 1 1 A 40 40 GLY N N 40 110.640 112.215 -1.575 1
1 399 . 3 1 1 A 41 41 PRO HA H 41 4.481 4.487 -0.006 1
1 406 . 3 1 1 A 41 41 PRO C C 41 177.367 176.889 0.478 1
1 407 . 3 1 1 A 41 41 PRO CA C 41 63.234 62.388 0.846 1
1 408 . 3 1 1 A 41 41 PRO CB C 41 32.193 32.756 -0.563 1
1 411 . 3 1 1 A 42 42 SER H H 42 8.538 8.478 0.060 1
1 412 . 3 1 1 A 42 42 SER C C 42 174.673 174.236 0.437 1
1 413 . 3 1 1 A 42 42 SER CA C 42 58.495 58.874 -0.379 1
1 414 . 3 1 1 A 42 42 SER CB C 42 64.033 63.365 0.668 1
1 1 . 4 1 1 A 7 7 GLY HA2 H 7 3.984 4.079 -0.095 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 3.984 4.082 -0.098 1
1 3 . 4 1 1 A 7 7 GLY C C 7 174.243 174.009 0.234 1
1 4 . 4 1 1 A 7 7 GLY CA C 7 45.345 46.080 -0.735 1
1 5 . 4 1 1 A 8 8 THR H H 8 8.056 7.747 0.309 1
1 6 . 4 1 1 A 8 8 THR HA H 8 4.351 5.252 -0.901 1
1 11 . 4 1 1 A 8 8 THR C C 8 174.506 173.865 0.641 1
1 12 . 4 1 1 A 8 8 THR CA C 8 61.679 60.387 1.292 1
1 13 . 4 1 1 A 8 8 THR CB C 8 70.039 70.987 -0.948 1
1 15 . 4 1 1 A 8 8 THR N N 8 114.027 111.160 2.867 1
1 16 . 4 1 1 A 9 9 ARG H H 9 8.379 8.727 -0.348 1
1 17 . 4 1 1 A 9 9 ARG HA H 9 4.291 4.237 0.054 1
1 24 . 4 1 1 A 9 9 ARG C C 9 176.137 177.016 -0.879 1
1 25 . 4 1 1 A 9 9 ARG CA C 9 56.291 57.100 -0.809 1
1 26 . 4 1 1 A 9 9 ARG CB C 9 30.735 30.793 -0.058 1
1 29 . 4 1 1 A 9 9 ARG N N 9 123.323 125.849 -2.526 1
1 30 . 4 1 1 A 10 10 GLU H H 10 8.420 8.659 -0.239 1
1 31 . 4 1 1 A 10 10 GLU HA H 10 4.142 4.511 -0.369 1
1 36 . 4 1 1 A 10 10 GLU C C 10 176.102 176.953 -0.851 1
1 37 . 4 1 1 A 10 10 GLU CA C 10 57.284 56.536 0.748 1
1 38 . 4 1 1 A 10 10 GLU CB C 10 30.289 31.432 -1.143 1
1 40 . 4 1 1 A 10 10 GLU N N 10 121.984 119.461 2.523 1
1 41 . 4 1 1 A 11 11 LYS H H 11 8.035 7.544 0.491 1
1 42 . 4 1 1 A 11 11 LYS HA H 11 4.545 4.403 0.142 1
1 51 . 4 1 1 A 11 11 LYS C C 11 173.979 176.772 -2.793 1
1 52 . 4 1 1 A 11 11 LYS CA C 11 53.589 55.333 -1.744 1
1 53 . 4 1 1 A 11 11 LYS CB C 11 33.028 32.047 0.981 1
1 57 . 4 1 1 A 11 11 LYS N N 11 120.453 121.698 -1.245 1
1 58 . 4 1 1 A 12 12 PRO HA H 12 4.290 4.347 -0.057 1
1 65 . 4 1 1 A 12 12 PRO C C 12 176.186 175.984 0.202 1
1 66 . 4 1 1 A 12 12 PRO CA C 12 63.385 65.283 -1.898 1
1 67 . 4 1 1 A 12 12 PRO CB C 12 32.283 31.654 0.629 1
1 70 . 4 1 1 A 13 13 TYR H H 13 8.036 7.427 0.609 1
1 71 . 4 1 1 A 13 13 TYR HA H 13 4.568 4.696 -0.128 1
1 78 . 4 1 1 A 13 13 TYR C C 13 174.612 176.491 -1.879 1
1 79 . 4 1 1 A 13 13 TYR CA C 13 57.760 58.633 -0.873 1
1 80 . 4 1 1 A 13 13 TYR CB C 13 38.387 39.748 -1.361 1
1 85 . 4 1 1 A 13 13 TYR N N 13 118.849 118.270 0.579 1
1 86 . 4 1 1 A 14 14 GLU H H 14 8.552 9.248 -0.696 1
1 87 . 4 1 1 A 14 14 GLU HA H 14 4.923 5.574 -0.651 1
1 92 . 4 1 1 A 14 14 GLU C C 14 175.204 175.368 -0.164 1
1 93 . 4 1 1 A 14 14 GLU CA C 14 54.910 54.395 0.515 1
1 94 . 4 1 1 A 14 14 GLU CB C 14 33.000 33.925 -0.925 1
1 96 . 4 1 1 A 14 14 GLU N N 14 123.988 121.269 2.719 1
1 97 . 4 1 1 A 15 15 CYS H H 15 9.288 9.094 0.194 1
1 98 . 4 1 1 A 15 15 CYS HA H 15 4.591 4.526 0.065 1
1 101 . 4 1 1 A 15 15 CYS C C 15 177.502 176.197 1.305 1
1 102 . 4 1 1 A 15 15 CYS CA C 15 59.594 59.407 0.187 1
1 103 . 4 1 1 A 15 15 CYS CB C 15 29.754 28.431 1.323 1
1 104 . 4 1 1 A 15 15 CYS N N 15 126.830 123.610 3.220 1
1 105 . 4 1 1 A 16 16 SER H H 16 9.383 9.181 0.202 1
1 106 . 4 1 1 A 16 16 SER HA H 16 4.287 4.623 -0.336 1
1 109 . 4 1 1 A 16 16 SER C C 16 174.508 175.097 -0.589 1
1 110 . 4 1 1 A 16 16 SER CA C 16 60.955 58.674 2.281 1
1 111 . 4 1 1 A 16 16 SER CB C 16 63.100 63.047 0.053 1
1 112 . 4 1 1 A 16 16 SER N N 16 128.427 122.850 5.577 1
1 113 . 4 1 1 A 17 17 GLU H H 17 8.727 7.963 0.764 1
1 114 . 4 1 1 A 17 17 GLU HA H 17 4.258 4.382 -0.124 1
1 119 . 4 1 1 A 17 17 GLU C C 17 177.133 178.025 -0.892 1
1 120 . 4 1 1 A 17 17 GLU CA C 17 58.110 56.896 1.214 1
1 121 . 4 1 1 A 17 17 GLU CB C 17 29.738 30.963 -1.225 1
1 123 . 4 1 1 A 17 17 GLU N N 17 123.127 120.426 2.701 1
1 124 . 4 1 1 A 18 18 CYS H H 18 7.939 8.041 -0.102 1
1 125 . 4 1 1 A 18 18 CYS HA H 18 5.177 4.726 0.451 1
1 128 . 4 1 1 A 18 18 CYS C C 18 176.246 175.654 0.592 1
1 129 . 4 1 1 A 18 18 CYS CA C 18 58.259 59.320 -1.061 1
1 130 . 4 1 1 A 18 18 CYS CB C 18 32.602 30.388 2.214 1
1 131 . 4 1 1 A 18 18 CYS N N 18 114.781 114.510 0.271 1
1 132 . 4 1 1 A 19 19 GLY H H 19 8.186 8.074 0.112 1
1 133 . 4 1 1 A 19 19 GLY HA2 H 19 4.233 4.087 0.146 1
1 134 . 4 1 1 A 19 19 GLY HA3 H 19 3.870 4.100 -0.230 1
1 135 . 4 1 1 A 19 19 GLY C C 19 173.749 174.613 -0.864 1
1 136 . 4 1 1 A 19 19 GLY CA C 19 46.118 45.073 1.045 1
1 137 . 4 1 1 A 19 19 GLY N N 19 113.365 110.078 3.287 1
1 138 . 4 1 1 A 20 20 LYS H H 20 8.006 7.617 0.389 1
1 139 . 4 1 1 A 20 20 LYS HA H 20 3.923 4.199 -0.276 1
1 148 . 4 1 1 A 20 20 LYS C C 20 173.687 175.441 -1.754 1
1 149 . 4 1 1 A 20 20 LYS CA C 20 58.226 56.260 1.966 1
1 150 . 4 1 1 A 20 20 LYS CB C 20 33.596 33.346 0.250 1
1 154 . 4 1 1 A 20 20 LYS N N 20 123.138 122.581 0.557 1
1 155 . 4 1 1 A 21 21 ALA H H 21 7.748 8.011 -0.263 1
1 156 . 4 1 1 A 21 21 ALA HA H 21 5.177 5.712 -0.535 1
1 160 . 4 1 1 A 21 21 ALA C C 21 176.281 175.276 1.005 1
1 161 . 4 1 1 A 21 21 ALA CA C 21 50.328 50.274 0.054 1
1 162 . 4 1 1 A 21 21 ALA CB C 21 22.412 23.646 -1.234 1
1 163 . 4 1 1 A 21 21 ALA N N 21 123.859 124.496 -0.637 1
1 164 . 4 1 1 A 22 22 PHE H H 22 8.670 9.179 -0.509 1
1 165 . 4 1 1 A 22 22 PHE HA H 22 4.744 4.925 -0.181 1
1 173 . 4 1 1 A 22 22 PHE C C 22 175.220 175.718 -0.498 1
1 174 . 4 1 1 A 22 22 PHE CA C 22 57.170 56.564 0.606 1
1 175 . 4 1 1 A 22 22 PHE CB C 22 43.555 43.352 0.203 1
1 181 . 4 1 1 A 22 22 PHE N N 22 117.277 116.235 1.042 1
1 182 . 4 1 1 A 23 23 ILE H H 23 8.681 8.628 0.053 1
1 183 . 4 1 1 A 23 23 ILE HA H 23 4.317 4.232 0.085 1
1 193 . 4 1 1 A 23 23 ILE C C 23 175.969 176.812 -0.843 1
1 194 . 4 1 1 A 23 23 ILE CA C 23 63.252 62.999 0.253 1
1 195 . 4 1 1 A 23 23 ILE CB C 23 38.840 38.690 0.150 1
1 199 . 4 1 1 A 23 23 ILE N N 23 119.186 121.664 -2.478 1
1 200 . 4 1 1 A 24 24 ARG H H 24 7.716 7.753 -0.037 1
1 201 . 4 1 1 A 24 24 ARG HA H 24 4.794 4.623 0.171 1
1 208 . 4 1 1 A 24 24 ARG C C 24 176.531 175.517 1.014 1
1 209 . 4 1 1 A 24 24 ARG CA C 24 53.902 54.016 -0.114 1
1 210 . 4 1 1 A 24 24 ARG CB C 24 33.380 33.036 0.344 1
1 213 . 4 1 1 A 24 24 ARG N N 24 115.336 120.529 -5.193 1
1 214 . 4 1 1 A 25 25 ASN H H 25 8.492 8.045 0.447 1
1 215 . 4 1 1 A 25 25 ASN HA H 25 3.587 3.354 0.233 1
1 220 . 4 1 1 A 25 25 ASN C C 25 177.332 176.754 0.578 1
1 221 . 4 1 1 A 25 25 ASN CA C 25 56.127 56.390 -0.263 1
1 222 . 4 1 1 A 25 25 ASN CB C 25 38.325 38.492 -0.167 1
1 223 . 4 1 1 A 25 25 ASN N N 25 124.604 122.006 2.598 1
1 225 . 4 1 1 A 26 26 SER HA H 26 3.868 4.004 -0.136 1
1 228 . 4 1 1 A 26 26 SER C C 26 176.671 176.890 -0.219 1
1 229 . 4 1 1 A 26 26 SER CA C 26 61.484 61.229 0.255 1
1 230 . 4 1 1 A 26 26 SER CB C 26 59.671 62.855 -3.184 1
1 231 . 4 1 1 A 26 26 SER N N 26 116.000 113.520 2.480 1
1 232 . 4 1 1 A 27 27 GLN H H 27 6.676 7.678 -1.002 1
1 233 . 4 1 1 A 27 27 GLN HA H 27 3.939 4.030 -0.091 1
1 240 . 4 1 1 A 27 27 GLN C C 27 178.435 178.180 0.255 1
1 241 . 4 1 1 A 27 27 GLN CA C 27 57.514 58.831 -1.317 1
1 242 . 4 1 1 A 27 27 GLN CB C 27 28.989 28.310 0.679 1
1 244 . 4 1 1 A 27 27 GLN N N 27 119.416 121.503 -2.087 1
1 246 . 4 1 1 A 28 28 LEU H H 28 6.916 7.510 -0.594 1
1 247 . 4 1 1 A 28 28 LEU HA H 28 3.284 1.550 1.734 1
1 257 . 4 1 1 A 28 28 LEU C C 28 177.490 178.202 -0.712 1
1 258 . 4 1 1 A 28 28 LEU CA C 28 57.911 57.247 0.664 1
1 259 . 4 1 1 A 28 28 LEU CB C 28 40.185 41.199 -1.014 1
1 263 . 4 1 1 A 28 28 LEU N N 28 122.389 120.954 1.435 1
1 264 . 4 1 1 A 29 29 ILE H H 29 7.971 7.932 0.039 1
1 265 . 4 1 1 A 29 29 ILE HA H 29 3.731 3.522 0.209 1
1 275 . 4 1 1 A 29 29 ILE C C 29 179.073 177.927 1.146 1
1 276 . 4 1 1 A 29 29 ILE CA C 29 64.438 65.393 -0.955 1
1 277 . 4 1 1 A 29 29 ILE CB C 29 37.464 37.574 -0.110 1
1 281 . 4 1 1 A 29 29 ILE N N 29 119.136 119.852 -0.716 1
1 282 . 4 1 1 A 30 30 VAL H H 30 7.101 7.521 -0.420 1
1 283 . 4 1 1 A 30 30 VAL HA H 30 3.510 3.652 -0.142 1
1 291 . 4 1 1 A 30 30 VAL C C 30 178.913 178.094 0.819 1
1 292 . 4 1 1 A 30 30 VAL CA C 30 66.454 66.289 0.165 1
1 293 . 4 1 1 A 30 30 VAL CB C 30 31.972 31.585 0.387 1
1 296 . 4 1 1 A 30 30 VAL N N 30 118.445 120.004 -1.559 1
1 297 . 4 1 1 A 31 31 HIS H H 31 7.640 8.186 -0.546 1
1 298 . 4 1 1 A 31 31 HIS HA H 31 4.227 4.239 -0.012 1
1 303 . 4 1 1 A 31 31 HIS C C 31 178.068 177.447 0.621 1
1 304 . 4 1 1 A 31 31 HIS CA C 31 59.324 60.403 -1.079 1
1 305 . 4 1 1 A 31 31 HIS CB C 31 28.585 30.042 -1.457 1
1 308 . 4 1 1 A 31 31 HIS N N 31 119.473 118.988 0.485 1
1 309 . 4 1 1 A 32 32 GLN H H 32 9.000 8.088 0.912 1
1 310 . 4 1 1 A 32 32 GLN HA H 32 3.726 3.827 -0.101 1
1 317 . 4 1 1 A 32 32 GLN C C 32 178.082 179.095 -1.013 1
1 318 . 4 1 1 A 32 32 GLN CA C 32 59.828 59.276 0.552 1
1 319 . 4 1 1 A 32 32 GLN CB C 32 28.009 28.241 -0.232 1
1 321 . 4 1 1 A 32 32 GLN N N 32 120.303 119.227 1.076 1
1 323 . 4 1 1 A 33 33 ARG H H 33 7.300 7.778 -0.478 1
1 324 . 4 1 1 A 33 33 ARG HA H 33 4.192 4.043 0.149 1
1 331 . 4 1 1 A 33 33 ARG C C 33 178.428 178.879 -0.451 1
1 332 . 4 1 1 A 33 33 ARG CA C 33 58.472 59.343 -0.871 1
1 333 . 4 1 1 A 33 33 ARG CB C 33 29.899 29.881 0.018 1
1 336 . 4 1 1 A 33 33 ARG N N 33 117.936 120.137 -2.201 1
1 337 . 4 1 1 A 34 34 THR H H 34 7.787 7.887 -0.100 1
1 338 . 4 1 1 A 34 34 THR HA H 34 4.127 3.954 0.173 1
1 343 . 4 1 1 A 34 34 THR C C 34 175.625 177.216 -1.591 1
1 344 . 4 1 1 A 34 34 THR CA C 34 64.023 65.627 -1.604 1
1 345 . 4 1 1 A 34 34 THR CB C 34 69.314 67.944 1.370 1
1 347 . 4 1 1 A 34 34 THR N N 34 109.902 113.396 -3.494 1
1 348 . 4 1 1 A 35 35 HIS H H 35 7.100 7.519 -0.419 1
1 349 . 4 1 1 A 35 35 HIS HA H 35 4.859 4.291 0.568 1
1 354 . 4 1 1 A 35 35 HIS C C 35 175.369 176.518 -1.149 1
1 355 . 4 1 1 A 35 35 HIS CA C 35 55.421 59.226 -3.805 1
1 356 . 4 1 1 A 35 35 HIS CB C 35 28.730 29.484 -0.754 1
1 359 . 4 1 1 A 35 35 HIS N N 35 118.308 119.851 -1.543 1
1 360 . 4 1 1 A 36 36 SER H H 36 7.832 7.778 0.054 1
1 361 . 4 1 1 A 36 36 SER HA H 36 4.488 4.309 0.179 1
1 364 . 4 1 1 A 36 36 SER C C 36 175.116 174.025 1.091 1
1 365 . 4 1 1 A 36 36 SER CA C 36 58.823 58.017 0.806 1
1 366 . 4 1 1 A 36 36 SER CB C 36 63.948 63.115 0.833 1
1 367 . 4 1 1 A 36 36 SER N N 36 114.683 112.946 1.737 1
1 368 . 4 1 1 A 37 37 GLY H H 37 8.324 8.942 -0.618 1
1 369 . 4 1 1 A 37 37 GLY HA2 H 37 4.012 4.011 0.001 1
1 370 . 4 1 1 A 37 37 GLY HA3 H 37 4.012 4.017 -0.005 1
1 371 . 4 1 1 A 37 37 GLY C C 37 174.303 172.816 1.487 1
1 372 . 4 1 1 A 37 37 GLY CA C 37 45.417 46.754 -1.337 1
1 373 . 4 1 1 A 37 37 GLY N N 37 110.893 115.436 -4.543 1
1 374 . 4 1 1 A 38 38 GLU H H 38 8.206 8.893 -0.687 1
1 375 . 4 1 1 A 38 38 GLU HA H 38 4.331 4.423 -0.092 1
1 380 . 4 1 1 A 38 38 GLU C C 38 176.590 175.210 1.380 1
1 381 . 4 1 1 A 38 38 GLU CA C 38 56.589 55.332 1.257 1
1 382 . 4 1 1 A 38 38 GLU CB C 38 30.477 28.185 2.292 1
1 384 . 4 1 1 A 38 38 GLU N N 38 120.603 125.820 -5.217 1
1 385 . 4 1 1 A 39 39 SER H H 39 8.416 8.327 0.089 1
1 386 . 4 1 1 A 39 39 SER HA H 39 4.490 4.785 -0.295 1
1 389 . 4 1 1 A 39 39 SER C C 39 174.575 174.433 0.142 1
1 390 . 4 1 1 A 39 39 SER CA C 39 58.289 56.923 1.366 1
1 391 . 4 1 1 A 39 39 SER CB C 39 63.935 63.695 0.240 1
1 392 . 4 1 1 A 39 39 SER N N 39 116.772 120.820 -4.048 1
1 393 . 4 1 1 A 40 40 GLY H H 40 8.240 8.848 -0.608 1
1 394 . 4 1 1 A 40 40 GLY HA2 H 40 4.149 4.083 0.066 1
1 395 . 4 1 1 A 40 40 GLY HA3 H 40 4.051 4.084 -0.033 1
1 396 . 4 1 1 A 40 40 GLY C C 40 171.726 173.798 -2.072 1
1 397 . 4 1 1 A 40 40 GLY CA C 40 44.662 44.908 -0.246 1
1 398 . 4 1 1 A 40 40 GLY N N 40 110.640 115.093 -4.453 1
1 399 . 4 1 1 A 41 41 PRO HA H 41 4.481 4.464 0.017 1
1 406 . 4 1 1 A 41 41 PRO C C 41 177.367 175.735 1.632 1
1 407 . 4 1 1 A 41 41 PRO CA C 41 63.234 64.028 -0.794 1
1 408 . 4 1 1 A 41 41 PRO CB C 41 32.193 31.953 0.240 1
1 411 . 4 1 1 A 42 42 SER H H 42 8.538 7.455 1.083 1
1 412 . 4 1 1 A 42 42 SER C C 42 174.673 172.137 2.536 1
1 413 . 4 1 1 A 42 42 SER CA C 42 58.495 57.556 0.939 1
1 414 . 4 1 1 A 42 42 SER CB C 42 64.033 65.372 -1.339 1
1 1 . 5 1 1 A 7 7 GLY HA2 H 7 3.984 4.168 -0.184 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 3.984 4.169 -0.185 1
1 3 . 5 1 1 A 7 7 GLY C C 7 174.243 172.871 1.372 1
1 4 . 5 1 1 A 7 7 GLY CA C 7 45.345 45.051 0.294 1
1 5 . 5 1 1 A 8 8 THR H H 8 8.056 8.532 -0.476 1
1 6 . 5 1 1 A 8 8 THR HA H 8 4.351 4.324 0.027 1
1 11 . 5 1 1 A 8 8 THR C C 8 174.506 174.517 -0.011 1
1 12 . 5 1 1 A 8 8 THR CA C 8 61.679 62.407 -0.728 1
1 13 . 5 1 1 A 8 8 THR CB C 8 70.039 69.701 0.338 1
1 15 . 5 1 1 A 8 8 THR N N 8 114.027 119.122 -5.095 1
1 16 . 5 1 1 A 9 9 ARG H H 9 8.379 8.761 -0.382 1
1 17 . 5 1 1 A 9 9 ARG HA H 9 4.291 4.283 0.008 1
1 24 . 5 1 1 A 9 9 ARG C C 9 176.137 176.305 -0.168 1
1 25 . 5 1 1 A 9 9 ARG CA C 9 56.291 56.278 0.013 1
1 26 . 5 1 1 A 9 9 ARG CB C 9 30.735 30.333 0.402 1
1 29 . 5 1 1 A 9 9 ARG N N 9 123.323 125.626 -2.303 1
1 30 . 5 1 1 A 10 10 GLU H H 10 8.420 9.061 -0.641 1
1 31 . 5 1 1 A 10 10 GLU HA H 10 4.142 4.304 -0.162 1
1 36 . 5 1 1 A 10 10 GLU C C 10 176.102 176.794 -0.692 1
1 37 . 5 1 1 A 10 10 GLU CA C 10 57.284 57.953 -0.669 1
1 38 . 5 1 1 A 10 10 GLU CB C 10 30.289 30.602 -0.313 1
1 40 . 5 1 1 A 10 10 GLU N N 10 121.984 126.224 -4.240 1
1 41 . 5 1 1 A 11 11 LYS H H 11 8.035 7.510 0.525 1
1 42 . 5 1 1 A 11 11 LYS HA H 11 4.545 4.503 0.042 1
1 51 . 5 1 1 A 11 11 LYS C C 11 173.979 176.470 -2.491 1
1 52 . 5 1 1 A 11 11 LYS CA C 11 53.589 54.455 -0.866 1
1 53 . 5 1 1 A 11 11 LYS CB C 11 33.028 32.075 0.953 1
1 57 . 5 1 1 A 11 11 LYS N N 11 120.453 118.779 1.674 1
1 58 . 5 1 1 A 12 12 PRO HA H 12 4.290 4.350 -0.060 1
1 65 . 5 1 1 A 12 12 PRO C C 12 176.186 175.999 0.187 1
1 66 . 5 1 1 A 12 12 PRO CA C 12 63.385 64.959 -1.574 1
1 67 . 5 1 1 A 12 12 PRO CB C 12 32.283 31.670 0.613 1
1 70 . 5 1 1 A 13 13 TYR H H 13 8.036 7.701 0.335 1
1 71 . 5 1 1 A 13 13 TYR HA H 13 4.568 4.685 -0.117 1
1 78 . 5 1 1 A 13 13 TYR C C 13 174.612 176.563 -1.951 1
1 79 . 5 1 1 A 13 13 TYR CA C 13 57.760 58.576 -0.816 1
1 80 . 5 1 1 A 13 13 TYR CB C 13 38.387 39.359 -0.972 1
1 85 . 5 1 1 A 13 13 TYR N N 13 118.849 118.266 0.583 1
1 86 . 5 1 1 A 14 14 GLU H H 14 8.552 9.178 -0.626 1
1 87 . 5 1 1 A 14 14 GLU HA H 14 4.923 5.579 -0.656 1
1 92 . 5 1 1 A 14 14 GLU C C 14 175.204 175.571 -0.367 1
1 93 . 5 1 1 A 14 14 GLU CA C 14 54.910 54.407 0.503 1
1 94 . 5 1 1 A 14 14 GLU CB C 14 33.000 33.115 -0.115 1
1 96 . 5 1 1 A 14 14 GLU N N 14 123.988 122.788 1.200 1
1 97 . 5 1 1 A 15 15 CYS H H 15 9.288 8.988 0.300 1
1 98 . 5 1 1 A 15 15 CYS HA H 15 4.591 4.639 -0.048 1
1 101 . 5 1 1 A 15 15 CYS C C 15 177.502 176.502 1.000 1
1 102 . 5 1 1 A 15 15 CYS CA C 15 59.594 59.624 -0.030 1
1 103 . 5 1 1 A 15 15 CYS CB C 15 29.754 28.471 1.283 1
1 104 . 5 1 1 A 15 15 CYS N N 15 126.830 123.899 2.931 1
1 105 . 5 1 1 A 16 16 SER H H 16 9.383 9.216 0.167 1
1 106 . 5 1 1 A 16 16 SER HA H 16 4.287 4.445 -0.158 1
1 109 . 5 1 1 A 16 16 SER C C 16 174.508 175.739 -1.231 1
1 110 . 5 1 1 A 16 16 SER CA C 16 60.955 59.739 1.216 1
1 111 . 5 1 1 A 16 16 SER CB C 16 63.100 62.961 0.139 1
1 112 . 5 1 1 A 16 16 SER N N 16 128.427 123.107 5.320 1
1 113 . 5 1 1 A 17 17 GLU H H 17 8.727 7.863 0.864 1
1 114 . 5 1 1 A 17 17 GLU HA H 17 4.258 4.157 0.101 1
1 119 . 5 1 1 A 17 17 GLU C C 17 177.133 178.074 -0.941 1
1 120 . 5 1 1 A 17 17 GLU CA C 17 58.110 58.165 -0.055 1
1 121 . 5 1 1 A 17 17 GLU CB C 17 29.738 30.068 -0.330 1
1 123 . 5 1 1 A 17 17 GLU N N 17 123.127 119.904 3.223 1
1 124 . 5 1 1 A 18 18 CYS H H 18 7.939 8.100 -0.161 1
1 125 . 5 1 1 A 18 18 CYS HA H 18 5.177 4.676 0.501 1
1 128 . 5 1 1 A 18 18 CYS C C 18 176.246 175.485 0.761 1
1 129 . 5 1 1 A 18 18 CYS CA C 18 58.259 59.542 -1.283 1
1 130 . 5 1 1 A 18 18 CYS CB C 18 32.602 29.950 2.652 1
1 131 . 5 1 1 A 18 18 CYS N N 18 114.781 114.712 0.069 1
1 132 . 5 1 1 A 19 19 GLY H H 19 8.186 7.994 0.192 1
1 133 . 5 1 1 A 19 19 GLY HA2 H 19 4.233 4.083 0.150 1
1 134 . 5 1 1 A 19 19 GLY HA3 H 19 3.870 4.098 -0.228 1
1 135 . 5 1 1 A 19 19 GLY C C 19 173.749 174.562 -0.813 1
1 136 . 5 1 1 A 19 19 GLY CA C 19 46.118 45.028 1.090 1
1 137 . 5 1 1 A 19 19 GLY N N 19 113.365 109.888 3.477 1
1 138 . 5 1 1 A 20 20 LYS H H 20 8.006 7.605 0.401 1
1 139 . 5 1 1 A 20 20 LYS HA H 20 3.923 4.178 -0.255 1
1 148 . 5 1 1 A 20 20 LYS C C 20 173.687 175.365 -1.678 1
1 149 . 5 1 1 A 20 20 LYS CA C 20 58.226 56.156 2.070 1
1 150 . 5 1 1 A 20 20 LYS CB C 20 33.596 33.303 0.293 1
1 154 . 5 1 1 A 20 20 LYS N N 20 123.138 122.570 0.568 1
1 155 . 5 1 1 A 21 21 ALA H H 21 7.748 8.032 -0.284 1
1 156 . 5 1 1 A 21 21 ALA HA H 21 5.177 5.638 -0.461 1
1 160 . 5 1 1 A 21 21 ALA C C 21 176.281 175.196 1.085 1
1 161 . 5 1 1 A 21 21 ALA CA C 21 50.328 50.346 -0.018 1
1 162 . 5 1 1 A 21 21 ALA CB C 21 22.412 23.793 -1.381 1
1 163 . 5 1 1 A 21 21 ALA N N 21 123.859 124.518 -0.659 1
1 164 . 5 1 1 A 22 22 PHE H H 22 8.670 8.975 -0.305 1
1 165 . 5 1 1 A 22 22 PHE HA H 22 4.744 5.052 -0.308 1
1 173 . 5 1 1 A 22 22 PHE C C 22 175.220 175.450 -0.230 1
1 174 . 5 1 1 A 22 22 PHE CA C 22 57.170 56.681 0.489 1
1 175 . 5 1 1 A 22 22 PHE CB C 22 43.555 43.922 -0.367 1
1 181 . 5 1 1 A 22 22 PHE N N 22 117.277 116.189 1.088 1
1 182 . 5 1 1 A 23 23 ILE H H 23 8.681 8.732 -0.051 1
1 183 . 5 1 1 A 23 23 ILE HA H 23 4.317 4.313 0.004 1
1 193 . 5 1 1 A 23 23 ILE C C 23 175.969 176.294 -0.325 1
1 194 . 5 1 1 A 23 23 ILE CA C 23 63.252 62.474 0.778 1
1 195 . 5 1 1 A 23 23 ILE CB C 23 38.840 38.572 0.268 1
1 199 . 5 1 1 A 23 23 ILE N N 23 119.186 120.502 -1.316 1
1 200 . 5 1 1 A 24 24 ARG H H 24 7.716 7.917 -0.201 1
1 201 . 5 1 1 A 24 24 ARG HA H 24 4.794 4.729 0.065 1
1 208 . 5 1 1 A 24 24 ARG C C 24 176.531 175.688 0.843 1
1 209 . 5 1 1 A 24 24 ARG CA C 24 53.902 54.148 -0.246 1
1 210 . 5 1 1 A 24 24 ARG CB C 24 33.380 32.803 0.577 1
1 213 . 5 1 1 A 24 24 ARG N N 24 115.336 120.743 -5.407 1
1 214 . 5 1 1 A 25 25 ASN H H 25 8.492 7.941 0.551 1
1 215 . 5 1 1 A 25 25 ASN HA H 25 3.587 3.118 0.469 1
1 220 . 5 1 1 A 25 25 ASN C C 25 177.332 176.787 0.545 1
1 221 . 5 1 1 A 25 25 ASN CA C 25 56.127 56.188 -0.061 1
1 222 . 5 1 1 A 25 25 ASN CB C 25 38.325 38.044 0.281 1
1 223 . 5 1 1 A 25 25 ASN N N 25 124.604 122.877 1.727 1
1 225 . 5 1 1 A 26 26 SER HA H 26 3.868 3.937 -0.069 1
1 228 . 5 1 1 A 26 26 SER C C 26 176.671 176.912 -0.241 1
1 229 . 5 1 1 A 26 26 SER CA C 26 61.484 61.360 0.124 1
1 230 . 5 1 1 A 26 26 SER CB C 26 59.671 62.946 -3.275 1
1 231 . 5 1 1 A 26 26 SER N N 26 116.000 113.654 2.346 1
1 232 . 5 1 1 A 27 27 GLN H H 27 6.676 8.352 -1.676 1
1 233 . 5 1 1 A 27 27 GLN HA H 27 3.939 3.942 -0.003 1
1 240 . 5 1 1 A 27 27 GLN C C 27 178.435 178.154 0.281 1
1 241 . 5 1 1 A 27 27 GLN CA C 27 57.514 58.827 -1.313 1
1 242 . 5 1 1 A 27 27 GLN CB C 27 28.989 28.159 0.830 1
1 244 . 5 1 1 A 27 27 GLN N N 27 119.416 121.397 -1.981 1
1 246 . 5 1 1 A 28 28 LEU H H 28 6.916 7.483 -0.567 1
1 247 . 5 1 1 A 28 28 LEU HA H 28 3.284 2.608 0.676 1
1 257 . 5 1 1 A 28 28 LEU C C 28 177.490 178.621 -1.131 1
1 258 . 5 1 1 A 28 28 LEU CA C 28 57.911 57.542 0.369 1
1 259 . 5 1 1 A 28 28 LEU CB C 28 40.185 41.395 -1.210 1
1 263 . 5 1 1 A 28 28 LEU N N 28 122.389 120.576 1.813 1
1 264 . 5 1 1 A 29 29 ILE H H 29 7.971 7.982 -0.011 1
1 265 . 5 1 1 A 29 29 ILE HA H 29 3.731 3.537 0.194 1
1 275 . 5 1 1 A 29 29 ILE C C 29 179.073 177.889 1.184 1
1 276 . 5 1 1 A 29 29 ILE CA C 29 64.438 65.315 -0.877 1
1 277 . 5 1 1 A 29 29 ILE CB C 29 37.464 37.899 -0.435 1
1 281 . 5 1 1 A 29 29 ILE N N 29 119.136 120.036 -0.900 1
1 282 . 5 1 1 A 30 30 VAL H H 30 7.101 7.754 -0.653 1
1 283 . 5 1 1 A 30 30 VAL HA H 30 3.510 3.657 -0.147 1
1 291 . 5 1 1 A 30 30 VAL C C 30 178.913 178.069 0.844 1
1 292 . 5 1 1 A 30 30 VAL CA C 30 66.454 66.255 0.199 1
1 293 . 5 1 1 A 30 30 VAL CB C 30 31.972 31.440 0.532 1
1 296 . 5 1 1 A 30 30 VAL N N 30 118.445 120.003 -1.558 1
1 297 . 5 1 1 A 31 31 HIS H H 31 7.640 7.740 -0.100 1
1 298 . 5 1 1 A 31 31 HIS HA H 31 4.227 4.210 0.017 1
1 303 . 5 1 1 A 31 31 HIS C C 31 178.068 177.372 0.696 1
1 304 . 5 1 1 A 31 31 HIS CA C 31 59.324 60.245 -0.921 1
1 305 . 5 1 1 A 31 31 HIS CB C 31 28.585 29.668 -1.083 1
1 308 . 5 1 1 A 31 31 HIS N N 31 119.473 119.305 0.168 1
1 309 . 5 1 1 A 32 32 GLN H H 32 9.000 8.290 0.710 1
1 310 . 5 1 1 A 32 32 GLN HA H 32 3.726 3.876 -0.150 1
1 317 . 5 1 1 A 32 32 GLN C C 32 178.082 178.877 -0.795 1
1 318 . 5 1 1 A 32 32 GLN CA C 32 59.828 59.066 0.762 1
1 319 . 5 1 1 A 32 32 GLN CB C 32 28.009 28.339 -0.330 1
1 321 . 5 1 1 A 32 32 GLN N N 32 120.303 117.884 2.419 1
1 323 . 5 1 1 A 33 33 ARG H H 33 7.300 7.523 -0.223 1
1 324 . 5 1 1 A 33 33 ARG HA H 33 4.192 4.041 0.151 1
1 331 . 5 1 1 A 33 33 ARG C C 33 178.428 179.270 -0.842 1
1 332 . 5 1 1 A 33 33 ARG CA C 33 58.472 58.657 -0.185 1
1 333 . 5 1 1 A 33 33 ARG CB C 33 29.899 30.011 -0.112 1
1 336 . 5 1 1 A 33 33 ARG N N 33 117.936 119.926 -1.990 1
1 337 . 5 1 1 A 34 34 THR H H 34 7.787 8.129 -0.342 1
1 338 . 5 1 1 A 34 34 THR HA H 34 4.127 3.878 0.249 1
1 343 . 5 1 1 A 34 34 THR C C 34 175.625 176.549 -0.924 1
1 344 . 5 1 1 A 34 34 THR CA C 34 64.023 65.583 -1.560 1
1 345 . 5 1 1 A 34 34 THR CB C 34 69.314 68.400 0.914 1
1 347 . 5 1 1 A 34 34 THR N N 34 109.902 115.067 -5.165 1
1 348 . 5 1 1 A 35 35 HIS H H 35 7.100 7.693 -0.593 1
1 349 . 5 1 1 A 35 35 HIS HA H 35 4.859 4.289 0.570 1
1 354 . 5 1 1 A 35 35 HIS C C 35 175.369 177.901 -2.532 1
1 355 . 5 1 1 A 35 35 HIS CA C 35 55.421 59.579 -4.158 1
1 356 . 5 1 1 A 35 35 HIS CB C 35 28.730 30.113 -1.383 1
1 359 . 5 1 1 A 35 35 HIS N N 35 118.308 119.291 -0.983 1
1 360 . 5 1 1 A 36 36 SER H H 36 7.832 8.017 -0.185 1
1 361 . 5 1 1 A 36 36 SER HA H 36 4.488 4.082 0.406 1
1 364 . 5 1 1 A 36 36 SER C C 36 175.116 177.047 -1.931 1
1 365 . 5 1 1 A 36 36 SER CA C 36 58.823 61.197 -2.374 1
1 366 . 5 1 1 A 36 36 SER CB C 36 63.948 62.723 1.225 1
1 367 . 5 1 1 A 36 36 SER N N 36 114.683 115.418 -0.735 1
1 368 . 5 1 1 A 37 37 GLY H H 37 8.324 8.023 0.301 1
1 369 . 5 1 1 A 37 37 GLY HA2 H 37 4.012 3.862 0.150 1
1 370 . 5 1 1 A 37 37 GLY HA3 H 37 4.012 3.871 0.141 1
1 371 . 5 1 1 A 37 37 GLY C C 37 174.303 174.169 0.134 1
1 372 . 5 1 1 A 37 37 GLY CA C 37 45.417 47.352 -1.935 1
1 373 . 5 1 1 A 37 37 GLY N N 37 110.893 108.336 2.557 1
1 374 . 5 1 1 A 38 38 GLU H H 38 8.206 7.874 0.332 1
1 375 . 5 1 1 A 38 38 GLU HA H 38 4.331 4.763 -0.432 1
1 380 . 5 1 1 A 38 38 GLU C C 38 176.590 176.177 0.413 1
1 381 . 5 1 1 A 38 38 GLU CA C 38 56.589 54.717 1.872 1
1 382 . 5 1 1 A 38 38 GLU CB C 38 30.477 32.609 -2.132 1
1 384 . 5 1 1 A 38 38 GLU N N 38 120.603 119.343 1.260 1
1 385 . 5 1 1 A 39 39 SER H H 39 8.416 8.922 -0.506 1
1 386 . 5 1 1 A 39 39 SER HA H 39 4.490 4.618 -0.128 1
1 389 . 5 1 1 A 39 39 SER C C 39 174.575 174.150 0.425 1
1 390 . 5 1 1 A 39 39 SER CA C 39 58.289 58.165 0.124 1
1 391 . 5 1 1 A 39 39 SER CB C 39 63.935 62.065 1.870 1
1 392 . 5 1 1 A 39 39 SER N N 39 116.772 120.971 -4.199 1
1 393 . 5 1 1 A 40 40 GLY H H 40 8.240 8.497 -0.257 1
1 394 . 5 1 1 A 40 40 GLY HA2 H 40 4.149 4.088 0.061 1
1 395 . 5 1 1 A 40 40 GLY HA3 H 40 4.051 4.098 -0.047 1
1 396 . 5 1 1 A 40 40 GLY C C 40 171.726 174.725 -2.999 1
1 397 . 5 1 1 A 40 40 GLY CA C 40 44.662 44.556 0.106 1
1 398 . 5 1 1 A 40 40 GLY N N 40 110.640 110.161 0.479 1
1 399 . 5 1 1 A 41 41 PRO HA H 41 4.481 4.358 0.123 1
1 406 . 5 1 1 A 41 41 PRO C C 41 177.367 177.539 -0.172 1
1 407 . 5 1 1 A 41 41 PRO CA C 41 63.234 65.164 -1.930 1
1 408 . 5 1 1 A 41 41 PRO CB C 41 32.193 31.514 0.679 1
1 411 . 5 1 1 A 42 42 SER H H 42 8.538 8.037 0.501 1
1 412 . 5 1 1 A 42 42 SER C C 42 174.673 173.807 0.866 1
1 413 . 5 1 1 A 42 42 SER CA C 42 58.495 59.287 -0.792 1
1 414 . 5 1 1 A 42 42 SER CB C 42 64.033 61.511 2.522 1
1 1 . 6 1 1 A 7 7 GLY HA2 H 7 3.984 4.015 -0.031 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 3.984 4.017 -0.033 1
1 3 . 6 1 1 A 7 7 GLY C C 7 174.243 173.762 0.481 1
1 4 . 6 1 1 A 7 7 GLY CA C 7 45.345 44.857 0.488 1
1 5 . 6 1 1 A 8 8 THR H H 8 8.056 8.315 -0.259 1
1 6 . 6 1 1 A 8 8 THR HA H 8 4.351 4.599 -0.248 1
1 11 . 6 1 1 A 8 8 THR C C 8 174.506 174.187 0.319 1
1 12 . 6 1 1 A 8 8 THR CA C 8 61.679 61.083 0.596 1
1 13 . 6 1 1 A 8 8 THR CB C 8 70.039 69.325 0.714 1
1 15 . 6 1 1 A 8 8 THR N N 8 114.027 113.502 0.525 1
1 16 . 6 1 1 A 9 9 ARG H H 9 8.379 9.033 -0.654 1
1 17 . 6 1 1 A 9 9 ARG HA H 9 4.291 4.746 -0.455 1
1 24 . 6 1 1 A 9 9 ARG C C 9 176.137 174.204 1.933 1
1 25 . 6 1 1 A 9 9 ARG CA C 9 56.291 54.566 1.725 1
1 26 . 6 1 1 A 9 9 ARG CB C 9 30.735 30.748 -0.013 1
1 29 . 6 1 1 A 9 9 ARG N N 9 123.323 127.156 -3.833 1
1 30 . 6 1 1 A 10 10 GLU H H 10 8.420 9.010 -0.590 1
1 31 . 6 1 1 A 10 10 GLU HA H 10 4.142 4.620 -0.478 1
1 36 . 6 1 1 A 10 10 GLU C C 10 176.102 175.633 0.469 1
1 37 . 6 1 1 A 10 10 GLU CA C 10 57.284 55.106 2.178 1
1 38 . 6 1 1 A 10 10 GLU CB C 10 30.289 30.393 -0.104 1
1 40 . 6 1 1 A 10 10 GLU N N 10 121.984 126.225 -4.241 1
1 41 . 6 1 1 A 11 11 LYS H H 11 8.035 7.360 0.675 1
1 42 . 6 1 1 A 11 11 LYS HA H 11 4.545 4.346 0.199 1
1 51 . 6 1 1 A 11 11 LYS C C 11 173.979 176.949 -2.970 1
1 52 . 6 1 1 A 11 11 LYS CA C 11 53.589 55.157 -1.568 1
1 53 . 6 1 1 A 11 11 LYS CB C 11 33.028 31.939 1.089 1
1 57 . 6 1 1 A 11 11 LYS N N 11 120.453 121.904 -1.451 1
1 58 . 6 1 1 A 12 12 PRO HA H 12 4.290 4.343 -0.053 1
1 65 . 6 1 1 A 12 12 PRO C C 12 176.186 175.939 0.247 1
1 66 . 6 1 1 A 12 12 PRO CA C 12 63.385 65.027 -1.642 1
1 67 . 6 1 1 A 12 12 PRO CB C 12 32.283 31.680 0.603 1
1 70 . 6 1 1 A 13 13 TYR H H 13 8.036 7.251 0.785 1
1 71 . 6 1 1 A 13 13 TYR HA H 13 4.568 4.709 -0.141 1
1 78 . 6 1 1 A 13 13 TYR C C 13 174.612 176.299 -1.687 1
1 79 . 6 1 1 A 13 13 TYR CA C 13 57.760 58.419 -0.659 1
1 80 . 6 1 1 A 13 13 TYR CB C 13 38.387 39.911 -1.524 1
1 85 . 6 1 1 A 13 13 TYR N N 13 118.849 118.270 0.579 1
1 86 . 6 1 1 A 14 14 GLU H H 14 8.552 9.155 -0.603 1
1 87 . 6 1 1 A 14 14 GLU HA H 14 4.923 5.442 -0.519 1
1 92 . 6 1 1 A 14 14 GLU C C 14 175.204 175.306 -0.102 1
1 93 . 6 1 1 A 14 14 GLU CA C 14 54.910 54.809 0.101 1
1 94 . 6 1 1 A 14 14 GLU CB C 14 33.000 33.844 -0.844 1
1 96 . 6 1 1 A 14 14 GLU N N 14 123.988 121.325 2.663 1
1 97 . 6 1 1 A 15 15 CYS H H 15 9.288 8.847 0.441 1
1 98 . 6 1 1 A 15 15 CYS HA H 15 4.591 4.589 0.002 1
1 101 . 6 1 1 A 15 15 CYS C C 15 177.502 176.334 1.168 1
1 102 . 6 1 1 A 15 15 CYS CA C 15 59.594 59.574 0.020 1
1 103 . 6 1 1 A 15 15 CYS CB C 15 29.754 28.348 1.406 1
1 104 . 6 1 1 A 15 15 CYS N N 15 126.830 124.048 2.782 1
1 105 . 6 1 1 A 16 16 SER H H 16 9.383 9.196 0.187 1
1 106 . 6 1 1 A 16 16 SER HA H 16 4.287 4.511 -0.224 1
1 109 . 6 1 1 A 16 16 SER C C 16 174.508 175.403 -0.895 1
1 110 . 6 1 1 A 16 16 SER CA C 16 60.955 59.145 1.810 1
1 111 . 6 1 1 A 16 16 SER CB C 16 63.100 63.078 0.022 1
1 112 . 6 1 1 A 16 16 SER N N 16 128.427 122.724 5.703 1
1 113 . 6 1 1 A 17 17 GLU H H 17 8.727 7.902 0.825 1
1 114 . 6 1 1 A 17 17 GLU HA H 17 4.258 4.296 -0.038 1
1 119 . 6 1 1 A 17 17 GLU C C 17 177.133 178.011 -0.878 1
1 120 . 6 1 1 A 17 17 GLU CA C 17 58.110 57.630 0.480 1
1 121 . 6 1 1 A 17 17 GLU CB C 17 29.738 30.312 -0.574 1
1 123 . 6 1 1 A 17 17 GLU N N 17 123.127 120.366 2.761 1
1 124 . 6 1 1 A 18 18 CYS H H 18 7.939 7.997 -0.058 1
1 125 . 6 1 1 A 18 18 CYS HA H 18 5.177 4.683 0.494 1
1 128 . 6 1 1 A 18 18 CYS C C 18 176.246 175.571 0.675 1
1 129 . 6 1 1 A 18 18 CYS CA C 18 58.259 59.487 -1.228 1
1 130 . 6 1 1 A 18 18 CYS CB C 18 32.602 29.973 2.629 1
1 131 . 6 1 1 A 18 18 CYS N N 18 114.781 114.530 0.251 1
1 132 . 6 1 1 A 19 19 GLY H H 19 8.186 8.023 0.163 1
1 133 . 6 1 1 A 19 19 GLY HA2 H 19 4.233 4.070 0.163 1
1 134 . 6 1 1 A 19 19 GLY HA3 H 19 3.870 4.080 -0.210 1
1 135 . 6 1 1 A 19 19 GLY C C 19 173.749 174.595 -0.846 1
1 136 . 6 1 1 A 19 19 GLY CA C 19 46.118 44.999 1.119 1
1 137 . 6 1 1 A 19 19 GLY N N 19 113.365 110.052 3.313 1
1 138 . 6 1 1 A 20 20 LYS H H 20 8.006 7.579 0.427 1
1 139 . 6 1 1 A 20 20 LYS HA H 20 3.923 4.166 -0.243 1
1 148 . 6 1 1 A 20 20 LYS C C 20 173.687 175.189 -1.502 1
1 149 . 6 1 1 A 20 20 LYS CA C 20 58.226 56.211 2.015 1
1 150 . 6 1 1 A 20 20 LYS CB C 20 33.596 33.142 0.454 1
1 154 . 6 1 1 A 20 20 LYS N N 20 123.138 122.583 0.555 1
1 155 . 6 1 1 A 21 21 ALA H H 21 7.748 7.954 -0.206 1
1 156 . 6 1 1 A 21 21 ALA HA H 21 5.177 5.660 -0.483 1
1 160 . 6 1 1 A 21 21 ALA C C 21 176.281 175.081 1.200 1
1 161 . 6 1 1 A 21 21 ALA CA C 21 50.328 50.386 -0.058 1
1 162 . 6 1 1 A 21 21 ALA CB C 21 22.412 23.959 -1.547 1
1 163 . 6 1 1 A 21 21 ALA N N 21 123.859 124.360 -0.501 1
1 164 . 6 1 1 A 22 22 PHE H H 22 8.670 8.865 -0.195 1
1 165 . 6 1 1 A 22 22 PHE HA H 22 4.744 5.016 -0.272 1
1 173 . 6 1 1 A 22 22 PHE C C 22 175.220 175.419 -0.199 1
1 174 . 6 1 1 A 22 22 PHE CA C 22 57.170 56.614 0.556 1
1 175 . 6 1 1 A 22 22 PHE CB C 22 43.555 43.837 -0.282 1
1 181 . 6 1 1 A 22 22 PHE N N 22 117.277 115.588 1.689 1
1 182 . 6 1 1 A 23 23 ILE H H 23 8.681 8.761 -0.080 1
1 183 . 6 1 1 A 23 23 ILE HA H 23 4.317 4.337 -0.020 1
1 193 . 6 1 1 A 23 23 ILE C C 23 175.969 176.227 -0.258 1
1 194 . 6 1 1 A 23 23 ILE CA C 23 63.252 62.408 0.844 1
1 195 . 6 1 1 A 23 23 ILE CB C 23 38.840 38.708 0.132 1
1 199 . 6 1 1 A 23 23 ILE N N 23 119.186 120.455 -1.269 1
1 200 . 6 1 1 A 24 24 ARG H H 24 7.716 7.730 -0.014 1
1 201 . 6 1 1 A 24 24 ARG HA H 24 4.794 4.690 0.104 1
1 208 . 6 1 1 A 24 24 ARG C C 24 176.531 175.482 1.049 1
1 209 . 6 1 1 A 24 24 ARG CA C 24 53.902 53.928 -0.026 1
1 210 . 6 1 1 A 24 24 ARG CB C 24 33.380 32.851 0.529 1
1 213 . 6 1 1 A 24 24 ARG N N 24 115.336 120.244 -4.908 1
1 214 . 6 1 1 A 25 25 ASN H H 25 8.492 8.331 0.161 1
1 215 . 6 1 1 A 25 25 ASN HA H 25 3.587 3.114 0.473 1
1 220 . 6 1 1 A 25 25 ASN C C 25 177.332 176.658 0.674 1
1 221 . 6 1 1 A 25 25 ASN CA C 25 56.127 56.367 -0.240 1
1 222 . 6 1 1 A 25 25 ASN CB C 25 38.325 38.464 -0.139 1
1 223 . 6 1 1 A 25 25 ASN N N 25 124.604 122.531 2.073 1
1 225 . 6 1 1 A 26 26 SER HA H 26 3.868 3.981 -0.113 1
1 228 . 6 1 1 A 26 26 SER C C 26 176.671 176.860 -0.189 1
1 229 . 6 1 1 A 26 26 SER CA C 26 61.484 61.214 0.270 1
1 230 . 6 1 1 A 26 26 SER CB C 26 59.671 62.839 -3.168 1
1 231 . 6 1 1 A 26 26 SER N N 26 116.000 113.764 2.236 1
1 232 . 6 1 1 A 27 27 GLN H H 27 6.676 7.735 -1.059 1
1 233 . 6 1 1 A 27 27 GLN HA H 27 3.939 3.958 -0.019 1
1 240 . 6 1 1 A 27 27 GLN C C 27 178.435 178.003 0.432 1
1 241 . 6 1 1 A 27 27 GLN CA C 27 57.514 58.732 -1.218 1
1 242 . 6 1 1 A 27 27 GLN CB C 27 28.989 28.224 0.765 1
1 244 . 6 1 1 A 27 27 GLN N N 27 119.416 121.405 -1.989 1
1 246 . 6 1 1 A 28 28 LEU H H 28 6.916 7.412 -0.496 1
1 247 . 6 1 1 A 28 28 LEU HA H 28 3.284 2.175 1.109 1
1 257 . 6 1 1 A 28 28 LEU C C 28 177.490 178.464 -0.974 1
1 258 . 6 1 1 A 28 28 LEU CA C 28 57.911 57.437 0.474 1
1 259 . 6 1 1 A 28 28 LEU CB C 28 40.185 41.328 -1.143 1
1 263 . 6 1 1 A 28 28 LEU N N 28 122.389 120.928 1.461 1
1 264 . 6 1 1 A 29 29 ILE H H 29 7.971 7.908 0.063 1
1 265 . 6 1 1 A 29 29 ILE HA H 29 3.731 3.535 0.196 1
1 275 . 6 1 1 A 29 29 ILE C C 29 179.073 177.938 1.135 1
1 276 . 6 1 1 A 29 29 ILE CA C 29 64.438 65.383 -0.945 1
1 277 . 6 1 1 A 29 29 ILE CB C 29 37.464 37.652 -0.188 1
1 281 . 6 1 1 A 29 29 ILE N N 29 119.136 119.860 -0.724 1
1 282 . 6 1 1 A 30 30 VAL H H 30 7.101 7.609 -0.508 1
1 283 . 6 1 1 A 30 30 VAL HA H 30 3.510 3.658 -0.148 1
1 291 . 6 1 1 A 30 30 VAL C C 30 178.913 178.305 0.608 1
1 292 . 6 1 1 A 30 30 VAL CA C 30 66.454 66.230 0.224 1
1 293 . 6 1 1 A 30 30 VAL CB C 30 31.972 31.466 0.506 1
1 296 . 6 1 1 A 30 30 VAL N N 30 118.445 119.947 -1.502 1
1 297 . 6 1 1 A 31 31 HIS H H 31 7.640 7.862 -0.222 1
1 298 . 6 1 1 A 31 31 HIS HA H 31 4.227 4.252 -0.025 1
1 303 . 6 1 1 A 31 31 HIS C C 31 178.068 176.979 1.089 1
1 304 . 6 1 1 A 31 31 HIS CA C 31 59.324 58.981 0.343 1
1 305 . 6 1 1 A 31 31 HIS CB C 31 28.585 30.320 -1.735 1
1 308 . 6 1 1 A 31 31 HIS N N 31 119.473 118.910 0.563 1
1 309 . 6 1 1 A 32 32 GLN H H 32 9.000 7.937 1.063 1
1 310 . 6 1 1 A 32 32 GLN HA H 32 3.726 4.106 -0.380 1
1 317 . 6 1 1 A 32 32 GLN C C 32 178.082 178.656 -0.574 1
1 318 . 6 1 1 A 32 32 GLN CA C 32 59.828 58.025 1.803 1
1 319 . 6 1 1 A 32 32 GLN CB C 32 28.009 28.150 -0.141 1
1 321 . 6 1 1 A 32 32 GLN N N 32 120.303 118.429 1.874 1
1 323 . 6 1 1 A 33 33 ARG H H 33 7.300 7.940 -0.640 1
1 324 . 6 1 1 A 33 33 ARG HA H 33 4.192 4.064 0.128 1
1 331 . 6 1 1 A 33 33 ARG C C 33 178.428 179.227 -0.799 1
1 332 . 6 1 1 A 33 33 ARG CA C 33 58.472 59.421 -0.949 1
1 333 . 6 1 1 A 33 33 ARG CB C 33 29.899 29.885 0.014 1
1 336 . 6 1 1 A 33 33 ARG N N 33 117.936 120.744 -2.808 1
1 337 . 6 1 1 A 34 34 THR H H 34 7.787 7.704 0.083 1
1 338 . 6 1 1 A 34 34 THR HA H 34 4.127 3.985 0.142 1
1 343 . 6 1 1 A 34 34 THR C C 34 175.625 177.069 -1.444 1
1 344 . 6 1 1 A 34 34 THR CA C 34 64.023 65.432 -1.409 1
1 345 . 6 1 1 A 34 34 THR CB C 34 69.314 68.281 1.033 1
1 347 . 6 1 1 A 34 34 THR N N 34 109.902 114.408 -4.506 1
1 348 . 6 1 1 A 35 35 HIS H H 35 7.100 7.854 -0.754 1
1 349 . 6 1 1 A 35 35 HIS HA H 35 4.859 4.361 0.498 1
1 354 . 6 1 1 A 35 35 HIS C C 35 175.369 176.141 -0.772 1
1 355 . 6 1 1 A 35 35 HIS CA C 35 55.421 59.234 -3.813 1
1 356 . 6 1 1 A 35 35 HIS CB C 35 28.730 29.899 -1.169 1
1 359 . 6 1 1 A 35 35 HIS N N 35 118.308 118.257 0.051 1
1 360 . 6 1 1 A 36 36 SER H H 36 7.832 7.994 -0.162 1
1 361 . 6 1 1 A 36 36 SER HA H 36 4.488 4.482 0.006 1
1 364 . 6 1 1 A 36 36 SER C C 36 175.116 174.662 0.454 1
1 365 . 6 1 1 A 36 36 SER CA C 36 58.823 58.009 0.814 1
1 366 . 6 1 1 A 36 36 SER CB C 36 63.948 62.141 1.807 1
1 367 . 6 1 1 A 36 36 SER N N 36 114.683 112.616 2.067 1
1 368 . 6 1 1 A 37 37 GLY H H 37 8.324 7.840 0.484 1
1 369 . 6 1 1 A 37 37 GLY HA2 H 37 4.012 3.966 0.046 1
1 370 . 6 1 1 A 37 37 GLY HA3 H 37 4.012 3.973 0.039 1
1 371 . 6 1 1 A 37 37 GLY C C 37 174.303 175.287 -0.984 1
1 372 . 6 1 1 A 37 37 GLY CA C 37 45.417 45.528 -0.111 1
1 373 . 6 1 1 A 37 37 GLY N N 37 110.893 113.216 -2.323 1
1 374 . 6 1 1 A 38 38 GLU H H 38 8.206 8.385 -0.179 1
1 375 . 6 1 1 A 38 38 GLU HA H 38 4.331 4.193 0.138 1
1 380 . 6 1 1 A 38 38 GLU C C 38 176.590 176.610 -0.020 1
1 381 . 6 1 1 A 38 38 GLU CA C 38 56.589 58.842 -2.253 1
1 382 . 6 1 1 A 38 38 GLU CB C 38 30.477 29.369 1.108 1
1 384 . 6 1 1 A 38 38 GLU N N 38 120.603 118.597 2.006 1
1 385 . 6 1 1 A 39 39 SER H H 39 8.416 8.102 0.314 1
1 386 . 6 1 1 A 39 39 SER HA H 39 4.490 4.736 -0.246 1
1 389 . 6 1 1 A 39 39 SER C C 39 174.575 174.813 -0.238 1
1 390 . 6 1 1 A 39 39 SER CA C 39 58.289 58.198 0.091 1
1 391 . 6 1 1 A 39 39 SER CB C 39 63.935 63.442 0.493 1
1 392 . 6 1 1 A 39 39 SER N N 39 116.772 115.181 1.591 1
1 393 . 6 1 1 A 40 40 GLY H H 40 8.240 8.243 -0.003 1
1 394 . 6 1 1 A 40 40 GLY HA2 H 40 4.149 4.153 -0.004 1
1 395 . 6 1 1 A 40 40 GLY HA3 H 40 4.051 4.154 -0.103 1
1 396 . 6 1 1 A 40 40 GLY C C 40 171.726 174.292 -2.566 1
1 397 . 6 1 1 A 40 40 GLY CA C 40 44.662 45.501 -0.839 1
1 398 . 6 1 1 A 40 40 GLY N N 40 110.640 111.601 -0.961 1
1 399 . 6 1 1 A 41 41 PRO HA H 41 4.481 4.540 -0.059 1
1 406 . 6 1 1 A 41 41 PRO C C 41 177.367 176.282 1.085 1
1 407 . 6 1 1 A 41 41 PRO CA C 41 63.234 63.755 -0.521 1
1 408 . 6 1 1 A 41 41 PRO CB C 41 32.193 31.768 0.425 1
1 411 . 6 1 1 A 42 42 SER H H 42 8.538 7.745 0.793 1
1 412 . 6 1 1 A 42 42 SER C C 42 174.673 174.270 0.403 1
1 413 . 6 1 1 A 42 42 SER CA C 42 58.495 58.650 -0.155 1
1 414 . 6 1 1 A 42 42 SER CB C 42 64.033 63.627 0.406 1
1 1 . 7 1 1 A 7 7 GLY HA2 H 7 3.984 4.131 -0.147 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 3.984 4.131 -0.147 1
1 3 . 7 1 1 A 7 7 GLY C C 7 174.243 172.238 2.005 1
1 4 . 7 1 1 A 7 7 GLY CA C 7 45.345 45.745 -0.400 1
1 5 . 7 1 1 A 8 8 THR H H 8 8.056 9.024 -0.968 1
1 6 . 7 1 1 A 8 8 THR HA H 8 4.351 5.174 -0.823 1
1 11 . 7 1 1 A 8 8 THR C C 8 174.506 172.117 2.389 1
1 12 . 7 1 1 A 8 8 THR CA C 8 61.679 59.793 1.886 1
1 13 . 7 1 1 A 8 8 THR CB C 8 70.039 72.040 -2.001 1
1 15 . 7 1 1 A 8 8 THR N N 8 114.027 115.988 -1.961 1
1 16 . 7 1 1 A 9 9 ARG H H 9 8.379 8.856 -0.477 1
1 17 . 7 1 1 A 9 9 ARG HA H 9 4.291 4.862 -0.571 1
1 24 . 7 1 1 A 9 9 ARG C C 9 176.137 176.125 0.012 1
1 25 . 7 1 1 A 9 9 ARG CA C 9 56.291 54.149 2.142 1
1 26 . 7 1 1 A 9 9 ARG CB C 9 30.735 32.489 -1.754 1
1 29 . 7 1 1 A 9 9 ARG N N 9 123.323 124.419 -1.096 1
1 30 . 7 1 1 A 10 10 GLU H H 10 8.420 8.842 -0.422 1
1 31 . 7 1 1 A 10 10 GLU HA H 10 4.142 4.291 -0.149 1
1 36 . 7 1 1 A 10 10 GLU C C 10 176.102 177.177 -1.075 1
1 37 . 7 1 1 A 10 10 GLU CA C 10 57.284 58.548 -1.264 1
1 38 . 7 1 1 A 10 10 GLU CB C 10 30.289 30.149 0.140 1
1 40 . 7 1 1 A 10 10 GLU N N 10 121.984 123.709 -1.725 1
1 41 . 7 1 1 A 11 11 LYS H H 11 8.035 7.440 0.595 1
1 42 . 7 1 1 A 11 11 LYS HA H 11 4.545 4.361 0.184 1
1 51 . 7 1 1 A 11 11 LYS C C 11 173.979 176.737 -2.758 1
1 52 . 7 1 1 A 11 11 LYS CA C 11 53.589 55.348 -1.759 1
1 53 . 7 1 1 A 11 11 LYS CB C 11 33.028 32.126 0.902 1
1 57 . 7 1 1 A 11 11 LYS N N 11 120.453 120.322 0.131 1
1 58 . 7 1 1 A 12 12 PRO HA H 12 4.290 4.338 -0.048 1
1 65 . 7 1 1 A 12 12 PRO C C 12 176.186 176.002 0.184 1
1 66 . 7 1 1 A 12 12 PRO CA C 12 63.385 64.979 -1.594 1
1 67 . 7 1 1 A 12 12 PRO CB C 12 32.283 31.587 0.696 1
1 70 . 7 1 1 A 13 13 TYR H H 13 8.036 7.178 0.858 1
1 71 . 7 1 1 A 13 13 TYR HA H 13 4.568 4.717 -0.149 1
1 78 . 7 1 1 A 13 13 TYR C C 13 174.612 176.659 -2.047 1
1 79 . 7 1 1 A 13 13 TYR CA C 13 57.760 58.863 -1.103 1
1 80 . 7 1 1 A 13 13 TYR CB C 13 38.387 39.387 -1.000 1
1 85 . 7 1 1 A 13 13 TYR N N 13 118.849 118.285 0.564 1
1 86 . 7 1 1 A 14 14 GLU H H 14 8.552 9.188 -0.636 1
1 87 . 7 1 1 A 14 14 GLU HA H 14 4.923 5.560 -0.637 1
1 92 . 7 1 1 A 14 14 GLU C C 14 175.204 175.511 -0.307 1
1 93 . 7 1 1 A 14 14 GLU CA C 14 54.910 54.442 0.468 1
1 94 . 7 1 1 A 14 14 GLU CB C 14 33.000 33.319 -0.319 1
1 96 . 7 1 1 A 14 14 GLU N N 14 123.988 122.418 1.570 1
1 97 . 7 1 1 A 15 15 CYS H H 15 9.288 8.921 0.367 1
1 98 . 7 1 1 A 15 15 CYS HA H 15 4.591 4.669 -0.078 1
1 101 . 7 1 1 A 15 15 CYS C C 15 177.502 176.880 0.622 1
1 102 . 7 1 1 A 15 15 CYS CA C 15 59.594 59.486 0.108 1
1 103 . 7 1 1 A 15 15 CYS CB C 15 29.754 28.553 1.201 1
1 104 . 7 1 1 A 15 15 CYS N N 15 126.830 123.836 2.994 1
1 105 . 7 1 1 A 16 16 SER H H 16 9.383 9.059 0.324 1
1 106 . 7 1 1 A 16 16 SER HA H 16 4.287 4.401 -0.114 1
1 109 . 7 1 1 A 16 16 SER C C 16 174.508 174.870 -0.362 1
1 110 . 7 1 1 A 16 16 SER CA C 16 60.955 60.371 0.584 1
1 111 . 7 1 1 A 16 16 SER CB C 16 63.100 62.924 0.176 1
1 112 . 7 1 1 A 16 16 SER N N 16 128.427 123.365 5.062 1
1 113 . 7 1 1 A 17 17 GLU H H 17 8.727 7.937 0.790 1
1 114 . 7 1 1 A 17 17 GLU HA H 17 4.258 4.269 -0.011 1
1 119 . 7 1 1 A 17 17 GLU C C 17 177.133 178.025 -0.892 1
1 120 . 7 1 1 A 17 17 GLU CA C 17 58.110 57.695 0.415 1
1 121 . 7 1 1 A 17 17 GLU CB C 17 29.738 30.317 -0.579 1
1 123 . 7 1 1 A 17 17 GLU N N 17 123.127 119.199 3.928 1
1 124 . 7 1 1 A 18 18 CYS H H 18 7.939 8.029 -0.090 1
1 125 . 7 1 1 A 18 18 CYS HA H 18 5.177 4.706 0.471 1
1 128 . 7 1 1 A 18 18 CYS C C 18 176.246 175.574 0.672 1
1 129 . 7 1 1 A 18 18 CYS CA C 18 58.259 59.430 -1.171 1
1 130 . 7 1 1 A 18 18 CYS CB C 18 32.602 30.075 2.527 1
1 131 . 7 1 1 A 18 18 CYS N N 18 114.781 114.539 0.242 1
1 132 . 7 1 1 A 19 19 GLY H H 19 8.186 8.037 0.149 1
1 133 . 7 1 1 A 19 19 GLY HA2 H 19 4.233 4.077 0.156 1
1 134 . 7 1 1 A 19 19 GLY HA3 H 19 3.870 4.089 -0.219 1
1 135 . 7 1 1 A 19 19 GLY C C 19 173.749 174.604 -0.855 1
1 136 . 7 1 1 A 19 19 GLY CA C 19 46.118 45.006 1.112 1
1 137 . 7 1 1 A 19 19 GLY N N 19 113.365 110.057 3.308 1
1 138 . 7 1 1 A 20 20 LYS H H 20 8.006 7.592 0.414 1
1 139 . 7 1 1 A 20 20 LYS HA H 20 3.923 4.175 -0.252 1
1 148 . 7 1 1 A 20 20 LYS C C 20 173.687 175.375 -1.688 1
1 149 . 7 1 1 A 20 20 LYS CA C 20 58.226 56.240 1.986 1
1 150 . 7 1 1 A 20 20 LYS CB C 20 33.596 33.255 0.341 1
1 154 . 7 1 1 A 20 20 LYS N N 20 123.138 122.572 0.566 1
1 155 . 7 1 1 A 21 21 ALA H H 21 7.748 7.994 -0.246 1
1 156 . 7 1 1 A 21 21 ALA HA H 21 5.177 5.695 -0.518 1
1 160 . 7 1 1 A 21 21 ALA C C 21 176.281 175.140 1.141 1
1 161 . 7 1 1 A 21 21 ALA CA C 21 50.328 50.468 -0.140 1
1 162 . 7 1 1 A 21 21 ALA CB C 21 22.412 23.758 -1.346 1
1 163 . 7 1 1 A 21 21 ALA N N 21 123.859 124.464 -0.605 1
1 164 . 7 1 1 A 22 22 PHE H H 22 8.670 9.073 -0.403 1
1 165 . 7 1 1 A 22 22 PHE HA H 22 4.744 5.030 -0.286 1
1 173 . 7 1 1 A 22 22 PHE C C 22 175.220 175.708 -0.488 1
1 174 . 7 1 1 A 22 22 PHE CA C 22 57.170 56.599 0.571 1
1 175 . 7 1 1 A 22 22 PHE CB C 22 43.555 43.652 -0.097 1
1 181 . 7 1 1 A 22 22 PHE N N 22 117.277 116.202 1.075 1
1 182 . 7 1 1 A 23 23 ILE H H 23 8.681 8.763 -0.082 1
1 183 . 7 1 1 A 23 23 ILE HA H 23 4.317 4.288 0.029 1
1 193 . 7 1 1 A 23 23 ILE C C 23 175.969 176.443 -0.474 1
1 194 . 7 1 1 A 23 23 ILE CA C 23 63.252 62.738 0.514 1
1 195 . 7 1 1 A 23 23 ILE CB C 23 38.840 38.739 0.101 1
1 199 . 7 1 1 A 23 23 ILE N N 23 119.186 121.046 -1.860 1
1 200 . 7 1 1 A 24 24 ARG H H 24 7.716 7.775 -0.059 1
1 201 . 7 1 1 A 24 24 ARG HA H 24 4.794 4.751 0.043 1
1 208 . 7 1 1 A 24 24 ARG C C 24 176.531 175.734 0.797 1
1 209 . 7 1 1 A 24 24 ARG CA C 24 53.902 54.028 -0.126 1
1 210 . 7 1 1 A 24 24 ARG CB C 24 33.380 32.890 0.490 1
1 213 . 7 1 1 A 24 24 ARG N N 24 115.336 120.767 -5.431 1
1 214 . 7 1 1 A 25 25 ASN H H 25 8.492 8.338 0.154 1
1 215 . 7 1 1 A 25 25 ASN HA H 25 3.587 3.142 0.445 1
1 220 . 7 1 1 A 25 25 ASN C C 25 177.332 176.839 0.493 1
1 221 . 7 1 1 A 25 25 ASN CA C 25 56.127 56.318 -0.191 1
1 222 . 7 1 1 A 25 25 ASN CB C 25 38.325 38.078 0.247 1
1 223 . 7 1 1 A 25 25 ASN N N 25 124.604 122.855 1.749 1
1 225 . 7 1 1 A 26 26 SER HA H 26 3.868 3.971 -0.103 1
1 228 . 7 1 1 A 26 26 SER C C 26 176.671 176.983 -0.312 1
1 229 . 7 1 1 A 26 26 SER CA C 26 61.484 61.272 0.212 1
1 230 . 7 1 1 A 26 26 SER CB C 26 59.671 62.943 -3.272 1
1 231 . 7 1 1 A 26 26 SER N N 26 116.000 113.771 2.229 1
1 232 . 7 1 1 A 27 27 GLN H H 27 6.676 8.061 -1.385 1
1 233 . 7 1 1 A 27 27 GLN HA H 27 3.939 4.016 -0.077 1
1 240 . 7 1 1 A 27 27 GLN C C 27 178.435 178.139 0.296 1
1 241 . 7 1 1 A 27 27 GLN CA C 27 57.514 58.834 -1.320 1
1 242 . 7 1 1 A 27 27 GLN CB C 27 28.989 28.298 0.691 1
1 244 . 7 1 1 A 27 27 GLN N N 27 119.416 121.456 -2.040 1
1 246 . 7 1 1 A 28 28 LEU H H 28 6.916 7.512 -0.596 1
1 247 . 7 1 1 A 28 28 LEU HA H 28 3.284 1.912 1.372 1
1 257 . 7 1 1 A 28 28 LEU C C 28 177.490 178.406 -0.916 1
1 258 . 7 1 1 A 28 28 LEU CA C 28 57.911 57.363 0.548 1
1 259 . 7 1 1 A 28 28 LEU CB C 28 40.185 41.325 -1.140 1
1 263 . 7 1 1 A 28 28 LEU N N 28 122.389 120.822 1.567 1
1 264 . 7 1 1 A 29 29 ILE H H 29 7.971 7.926 0.045 1
1 265 . 7 1 1 A 29 29 ILE HA H 29 3.731 3.509 0.222 1
1 275 . 7 1 1 A 29 29 ILE C C 29 179.073 177.900 1.173 1
1 276 . 7 1 1 A 29 29 ILE CA C 29 64.438 65.311 -0.873 1
1 277 . 7 1 1 A 29 29 ILE CB C 29 37.464 37.700 -0.236 1
1 281 . 7 1 1 A 29 29 ILE N N 29 119.136 119.890 -0.754 1
1 282 . 7 1 1 A 30 30 VAL H H 30 7.101 7.549 -0.448 1
1 283 . 7 1 1 A 30 30 VAL HA H 30 3.510 3.661 -0.151 1
1 291 . 7 1 1 A 30 30 VAL C C 30 178.913 178.144 0.769 1
1 292 . 7 1 1 A 30 30 VAL CA C 30 66.454 66.269 0.185 1
1 293 . 7 1 1 A 30 30 VAL CB C 30 31.972 31.533 0.439 1
1 296 . 7 1 1 A 30 30 VAL N N 30 118.445 120.003 -1.558 1
1 297 . 7 1 1 A 31 31 HIS H H 31 7.640 8.027 -0.387 1
1 298 . 7 1 1 A 31 31 HIS HA H 31 4.227 4.259 -0.032 1
1 303 . 7 1 1 A 31 31 HIS C C 31 178.068 177.507 0.561 1
1 304 . 7 1 1 A 31 31 HIS CA C 31 59.324 60.296 -0.972 1
1 305 . 7 1 1 A 31 31 HIS CB C 31 28.585 30.084 -1.499 1
1 308 . 7 1 1 A 31 31 HIS N N 31 119.473 119.239 0.234 1
1 309 . 7 1 1 A 32 32 GLN H H 32 9.000 8.100 0.900 1
1 310 . 7 1 1 A 32 32 GLN HA H 32 3.726 3.821 -0.095 1
1 317 . 7 1 1 A 32 32 GLN C C 32 178.082 178.845 -0.763 1
1 318 . 7 1 1 A 32 32 GLN CA C 32 59.828 59.305 0.523 1
1 319 . 7 1 1 A 32 32 GLN CB C 32 28.009 28.347 -0.338 1
1 321 . 7 1 1 A 32 32 GLN N N 32 120.303 119.241 1.062 1
1 323 . 7 1 1 A 33 33 ARG H H 33 7.300 7.863 -0.563 1
1 324 . 7 1 1 A 33 33 ARG HA H 33 4.192 4.081 0.111 1
1 331 . 7 1 1 A 33 33 ARG C C 33 178.428 178.605 -0.177 1
1 332 . 7 1 1 A 33 33 ARG CA C 33 58.472 59.288 -0.816 1
1 333 . 7 1 1 A 33 33 ARG CB C 33 29.899 30.041 -0.142 1
1 336 . 7 1 1 A 33 33 ARG N N 33 117.936 120.244 -2.308 1
1 337 . 7 1 1 A 34 34 THR H H 34 7.787 7.928 -0.141 1
1 338 . 7 1 1 A 34 34 THR HA H 34 4.127 3.953 0.174 1
1 343 . 7 1 1 A 34 34 THR C C 34 175.625 177.140 -1.515 1
1 344 . 7 1 1 A 34 34 THR CA C 34 64.023 65.585 -1.562 1
1 345 . 7 1 1 A 34 34 THR CB C 34 69.314 67.873 1.441 1
1 347 . 7 1 1 A 34 34 THR N N 34 109.902 113.321 -3.419 1
1 348 . 7 1 1 A 35 35 HIS H H 35 7.100 7.440 -0.340 1
1 349 . 7 1 1 A 35 35 HIS HA H 35 4.859 4.287 0.572 1
1 354 . 7 1 1 A 35 35 HIS C C 35 175.369 175.772 -0.403 1
1 355 . 7 1 1 A 35 35 HIS CA C 35 55.421 59.039 -3.618 1
1 356 . 7 1 1 A 35 35 HIS CB C 35 28.730 30.588 -1.858 1
1 359 . 7 1 1 A 35 35 HIS N N 35 118.308 119.897 -1.589 1
1 360 . 7 1 1 A 36 36 SER H H 36 7.832 7.926 -0.094 1
1 361 . 7 1 1 A 36 36 SER HA H 36 4.488 4.062 0.426 1
1 364 . 7 1 1 A 36 36 SER C C 36 175.116 175.301 -0.185 1
1 365 . 7 1 1 A 36 36 SER CA C 36 58.823 59.920 -1.097 1
1 366 . 7 1 1 A 36 36 SER CB C 36 63.948 63.174 0.774 1
1 367 . 7 1 1 A 36 36 SER N N 36 114.683 113.911 0.772 1
1 368 . 7 1 1 A 37 37 GLY H H 37 8.324 8.910 -0.586 1
1 369 . 7 1 1 A 37 37 GLY HA2 H 37 4.012 3.981 0.031 1
1 370 . 7 1 1 A 37 37 GLY HA3 H 37 4.012 3.985 0.027 1
1 371 . 7 1 1 A 37 37 GLY C C 37 174.303 174.163 0.140 1
1 372 . 7 1 1 A 37 37 GLY CA C 37 45.417 45.215 0.202 1
1 373 . 7 1 1 A 37 37 GLY N N 37 110.893 115.005 -4.112 1
1 374 . 7 1 1 A 38 38 GLU H H 38 8.206 7.930 0.276 1
1 375 . 7 1 1 A 38 38 GLU HA H 38 4.331 4.323 0.008 1
1 380 . 7 1 1 A 38 38 GLU C C 38 176.590 176.113 0.477 1
1 381 . 7 1 1 A 38 38 GLU CA C 38 56.589 56.631 -0.042 1
1 382 . 7 1 1 A 38 38 GLU CB C 38 30.477 30.281 0.196 1
1 384 . 7 1 1 A 38 38 GLU N N 38 120.603 122.931 -2.328 1
1 385 . 7 1 1 A 39 39 SER H H 39 8.416 8.583 -0.167 1
1 386 . 7 1 1 A 39 39 SER HA H 39 4.490 4.335 0.155 1
1 389 . 7 1 1 A 39 39 SER C C 39 174.575 174.342 0.233 1
1 390 . 7 1 1 A 39 39 SER CA C 39 58.289 58.764 -0.475 1
1 391 . 7 1 1 A 39 39 SER CB C 39 63.935 64.202 -0.267 1
1 392 . 7 1 1 A 39 39 SER N N 39 116.772 119.904 -3.132 1
1 393 . 7 1 1 A 40 40 GLY H H 40 8.240 8.435 -0.195 1
1 394 . 7 1 1 A 40 40 GLY HA2 H 40 4.149 4.219 -0.070 1
1 395 . 7 1 1 A 40 40 GLY HA3 H 40 4.051 4.230 -0.179 1
1 396 . 7 1 1 A 40 40 GLY C C 40 171.726 174.069 -2.343 1
1 397 . 7 1 1 A 40 40 GLY CA C 40 44.662 45.458 -0.796 1
1 398 . 7 1 1 A 40 40 GLY N N 40 110.640 108.828 1.812 1
1 399 . 7 1 1 A 41 41 PRO HA H 41 4.481 4.596 -0.115 1
1 406 . 7 1 1 A 41 41 PRO C C 41 177.367 176.537 0.830 1
1 407 . 7 1 1 A 41 41 PRO CA C 41 63.234 62.594 0.640 1
1 408 . 7 1 1 A 41 41 PRO CB C 41 32.193 31.401 0.792 1
1 411 . 7 1 1 A 42 42 SER H H 42 8.538 8.379 0.159 1
1 412 . 7 1 1 A 42 42 SER C C 42 174.673 173.980 0.693 1
1 413 . 7 1 1 A 42 42 SER CA C 42 58.495 56.706 1.789 1
1 414 . 7 1 1 A 42 42 SER CB C 42 64.033 65.935 -1.902 1
1 1 . 8 1 1 A 7 7 GLY HA2 H 7 3.984 3.941 0.043 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 3.984 3.942 0.042 1
1 3 . 8 1 1 A 7 7 GLY C C 7 174.243 174.212 0.031 1
1 4 . 8 1 1 A 7 7 GLY CA C 7 45.345 46.431 -1.086 1
1 5 . 8 1 1 A 8 8 THR H H 8 8.056 8.199 -0.143 1
1 6 . 8 1 1 A 8 8 THR HA H 8 4.351 4.385 -0.034 1
1 11 . 8 1 1 A 8 8 THR C C 8 174.506 174.500 0.006 1
1 12 . 8 1 1 A 8 8 THR CA C 8 61.679 62.153 -0.474 1
1 13 . 8 1 1 A 8 8 THR CB C 8 70.039 69.688 0.351 1
1 15 . 8 1 1 A 8 8 THR N N 8 114.027 117.885 -3.858 1
1 16 . 8 1 1 A 9 9 ARG H H 9 8.379 8.692 -0.313 1
1 17 . 8 1 1 A 9 9 ARG HA H 9 4.291 4.239 0.052 1
1 24 . 8 1 1 A 9 9 ARG C C 9 176.137 177.076 -0.939 1
1 25 . 8 1 1 A 9 9 ARG CA C 9 56.291 56.655 -0.364 1
1 26 . 8 1 1 A 9 9 ARG CB C 9 30.735 30.416 0.319 1
1 29 . 8 1 1 A 9 9 ARG N N 9 123.323 126.849 -3.526 1
1 30 . 8 1 1 A 10 10 GLU H H 10 8.420 8.883 -0.463 1
1 31 . 8 1 1 A 10 10 GLU HA H 10 4.142 4.103 0.039 1
1 36 . 8 1 1 A 10 10 GLU C C 10 176.102 177.251 -1.149 1
1 37 . 8 1 1 A 10 10 GLU CA C 10 57.284 59.355 -2.071 1
1 38 . 8 1 1 A 10 10 GLU CB C 10 30.289 29.718 0.571 1
1 40 . 8 1 1 A 10 10 GLU N N 10 121.984 125.599 -3.615 1
1 41 . 8 1 1 A 11 11 LYS H H 11 8.035 7.611 0.424 1
1 42 . 8 1 1 A 11 11 LYS HA H 11 4.545 4.452 0.093 1
1 51 . 8 1 1 A 11 11 LYS C C 11 173.979 176.682 -2.703 1
1 52 . 8 1 1 A 11 11 LYS CA C 11 53.589 55.133 -1.544 1
1 53 . 8 1 1 A 11 11 LYS CB C 11 33.028 32.074 0.954 1
1 57 . 8 1 1 A 11 11 LYS N N 11 120.453 119.006 1.447 1
1 58 . 8 1 1 A 12 12 PRO HA H 12 4.290 4.358 -0.068 1
1 65 . 8 1 1 A 12 12 PRO C C 12 176.186 176.018 0.168 1
1 66 . 8 1 1 A 12 12 PRO CA C 12 63.385 65.144 -1.759 1
1 67 . 8 1 1 A 12 12 PRO CB C 12 32.283 31.613 0.670 1
1 70 . 8 1 1 A 13 13 TYR H H 13 8.036 7.214 0.822 1
1 71 . 8 1 1 A 13 13 TYR HA H 13 4.568 4.692 -0.124 1
1 78 . 8 1 1 A 13 13 TYR C C 13 174.612 176.551 -1.939 1
1 79 . 8 1 1 A 13 13 TYR CA C 13 57.760 58.854 -1.094 1
1 80 . 8 1 1 A 13 13 TYR CB C 13 38.387 39.315 -0.928 1
1 85 . 8 1 1 A 13 13 TYR N N 13 118.849 118.253 0.596 1
1 86 . 8 1 1 A 14 14 GLU H H 14 8.552 9.095 -0.543 1
1 87 . 8 1 1 A 14 14 GLU HA H 14 4.923 5.564 -0.641 1
1 92 . 8 1 1 A 14 14 GLU C C 14 175.204 175.269 -0.065 1
1 93 . 8 1 1 A 14 14 GLU CA C 14 54.910 54.327 0.583 1
1 94 . 8 1 1 A 14 14 GLU CB C 14 33.000 33.447 -0.447 1
1 96 . 8 1 1 A 14 14 GLU N N 14 123.988 122.552 1.436 1
1 97 . 8 1 1 A 15 15 CYS H H 15 9.288 8.910 0.378 1
1 98 . 8 1 1 A 15 15 CYS HA H 15 4.591 4.647 -0.056 1
1 101 . 8 1 1 A 15 15 CYS C C 15 177.502 176.062 1.440 1
1 102 . 8 1 1 A 15 15 CYS CA C 15 59.594 58.905 0.689 1
1 103 . 8 1 1 A 15 15 CYS CB C 15 29.754 29.142 0.612 1
1 104 . 8 1 1 A 15 15 CYS N N 15 126.830 123.004 3.826 1
1 105 . 8 1 1 A 16 16 SER H H 16 9.383 9.119 0.264 1
1 106 . 8 1 1 A 16 16 SER HA H 16 4.287 4.613 -0.326 1
1 109 . 8 1 1 A 16 16 SER C C 16 174.508 175.159 -0.651 1
1 110 . 8 1 1 A 16 16 SER CA C 16 60.955 58.306 2.649 1
1 111 . 8 1 1 A 16 16 SER CB C 16 63.100 63.226 -0.126 1
1 112 . 8 1 1 A 16 16 SER N N 16 128.427 122.461 5.966 1
1 113 . 8 1 1 A 17 17 GLU H H 17 8.727 7.836 0.891 1
1 114 . 8 1 1 A 17 17 GLU HA H 17 4.258 4.382 -0.124 1
1 119 . 8 1 1 A 17 17 GLU C C 17 177.133 177.763 -0.630 1
1 120 . 8 1 1 A 17 17 GLU CA C 17 58.110 56.772 1.338 1
1 121 . 8 1 1 A 17 17 GLU CB C 17 29.738 30.866 -1.128 1
1 123 . 8 1 1 A 17 17 GLU N N 17 123.127 120.377 2.750 1
1 124 . 8 1 1 A 18 18 CYS H H 18 7.939 7.899 0.040 1
1 125 . 8 1 1 A 18 18 CYS HA H 18 5.177 4.695 0.482 1
1 128 . 8 1 1 A 18 18 CYS C C 18 176.246 175.697 0.549 1
1 129 . 8 1 1 A 18 18 CYS CA C 18 58.259 59.477 -1.218 1
1 130 . 8 1 1 A 18 18 CYS CB C 18 32.602 30.369 2.233 1
1 131 . 8 1 1 A 18 18 CYS N N 18 114.781 114.735 0.046 1
1 132 . 8 1 1 A 19 19 GLY H H 19 8.186 8.049 0.137 1
1 133 . 8 1 1 A 19 19 GLY HA2 H 19 4.233 4.065 0.168 1
1 134 . 8 1 1 A 19 19 GLY HA3 H 19 3.870 4.074 -0.204 1
1 135 . 8 1 1 A 19 19 GLY C C 19 173.749 174.591 -0.842 1
1 136 . 8 1 1 A 19 19 GLY CA C 19 46.118 44.994 1.124 1
1 137 . 8 1 1 A 19 19 GLY N N 19 113.365 110.062 3.303 1
1 138 . 8 1 1 A 20 20 LYS H H 20 8.006 7.547 0.459 1
1 139 . 8 1 1 A 20 20 LYS HA H 20 3.923 4.197 -0.274 1
1 148 . 8 1 1 A 20 20 LYS C C 20 173.687 175.354 -1.667 1
1 149 . 8 1 1 A 20 20 LYS CA C 20 58.226 56.156 2.070 1
1 150 . 8 1 1 A 20 20 LYS CB C 20 33.596 33.240 0.356 1
1 154 . 8 1 1 A 20 20 LYS N N 20 123.138 122.587 0.551 1
1 155 . 8 1 1 A 21 21 ALA H H 21 7.748 8.017 -0.269 1
1 156 . 8 1 1 A 21 21 ALA HA H 21 5.177 5.707 -0.530 1
1 160 . 8 1 1 A 21 21 ALA C C 21 176.281 175.213 1.068 1
1 161 . 8 1 1 A 21 21 ALA CA C 21 50.328 50.366 -0.038 1
1 162 . 8 1 1 A 21 21 ALA CB C 21 22.412 23.798 -1.386 1
1 163 . 8 1 1 A 21 21 ALA N N 21 123.859 124.526 -0.667 1
1 164 . 8 1 1 A 22 22 PHE H H 22 8.670 9.106 -0.436 1
1 165 . 8 1 1 A 22 22 PHE HA H 22 4.744 5.041 -0.297 1
1 173 . 8 1 1 A 22 22 PHE C C 22 175.220 175.634 -0.414 1
1 174 . 8 1 1 A 22 22 PHE CA C 22 57.170 56.608 0.562 1
1 175 . 8 1 1 A 22 22 PHE CB C 22 43.555 43.743 -0.188 1
1 181 . 8 1 1 A 22 22 PHE N N 22 117.277 116.175 1.102 1
1 182 . 8 1 1 A 23 23 ILE H H 23 8.681 8.248 0.433 1
1 183 . 8 1 1 A 23 23 ILE HA H 23 4.317 4.295 0.022 1
1 193 . 8 1 1 A 23 23 ILE C C 23 175.969 176.435 -0.466 1
1 194 . 8 1 1 A 23 23 ILE CA C 23 63.252 62.715 0.537 1
1 195 . 8 1 1 A 23 23 ILE CB C 23 38.840 38.673 0.167 1
1 199 . 8 1 1 A 23 23 ILE N N 23 119.186 120.461 -1.275 1
1 200 . 8 1 1 A 24 24 ARG H H 24 7.716 7.872 -0.156 1
1 201 . 8 1 1 A 24 24 ARG HA H 24 4.794 4.628 0.166 1
1 208 . 8 1 1 A 24 24 ARG C C 24 176.531 175.527 1.004 1
1 209 . 8 1 1 A 24 24 ARG CA C 24 53.902 54.069 -0.167 1
1 210 . 8 1 1 A 24 24 ARG CB C 24 33.380 32.830 0.550 1
1 213 . 8 1 1 A 24 24 ARG N N 24 115.336 120.863 -5.527 1
1 214 . 8 1 1 A 25 25 ASN H H 25 8.492 7.980 0.512 1
1 215 . 8 1 1 A 25 25 ASN HA H 25 3.587 3.366 0.221 1
1 220 . 8 1 1 A 25 25 ASN C C 25 177.332 176.893 0.439 1
1 221 . 8 1 1 A 25 25 ASN CA C 25 56.127 56.437 -0.310 1
1 222 . 8 1 1 A 25 25 ASN CB C 25 38.325 38.269 0.056 1
1 223 . 8 1 1 A 25 25 ASN N N 25 124.604 122.433 2.171 1
1 225 . 8 1 1 A 26 26 SER HA H 26 3.868 4.035 -0.167 1
1 228 . 8 1 1 A 26 26 SER C C 26 176.671 176.587 0.084 1
1 229 . 8 1 1 A 26 26 SER CA C 26 61.484 61.760 -0.276 1
1 230 . 8 1 1 A 26 26 SER CB C 26 59.671 62.869 -3.198 1
1 231 . 8 1 1 A 26 26 SER N N 26 116.000 115.680 0.320 1
1 232 . 8 1 1 A 27 27 GLN H H 27 6.676 7.991 -1.315 1
1 233 . 8 1 1 A 27 27 GLN HA H 27 3.939 3.921 0.018 1
1 240 . 8 1 1 A 27 27 GLN C C 27 178.435 177.915 0.520 1
1 241 . 8 1 1 A 27 27 GLN CA C 27 57.514 58.750 -1.236 1
1 242 . 8 1 1 A 27 27 GLN CB C 27 28.989 28.200 0.789 1
1 244 . 8 1 1 A 27 27 GLN N N 27 119.416 121.036 -1.620 1
1 246 . 8 1 1 A 28 28 LEU H H 28 6.916 7.517 -0.601 1
1 247 . 8 1 1 A 28 28 LEU HA H 28 3.284 2.638 0.646 1
1 257 . 8 1 1 A 28 28 LEU C C 28 177.490 178.376 -0.886 1
1 258 . 8 1 1 A 28 28 LEU CA C 28 57.911 57.703 0.208 1
1 259 . 8 1 1 A 28 28 LEU CB C 28 40.185 41.477 -1.292 1
1 263 . 8 1 1 A 28 28 LEU N N 28 122.389 121.008 1.381 1
1 264 . 8 1 1 A 29 29 ILE H H 29 7.971 8.060 -0.089 1
1 265 . 8 1 1 A 29 29 ILE HA H 29 3.731 3.553 0.178 1
1 275 . 8 1 1 A 29 29 ILE C C 29 179.073 177.853 1.220 1
1 276 . 8 1 1 A 29 29 ILE CA C 29 64.438 65.331 -0.893 1
1 277 . 8 1 1 A 29 29 ILE CB C 29 37.464 37.681 -0.217 1
1 281 . 8 1 1 A 29 29 ILE N N 29 119.136 119.726 -0.590 1
1 282 . 8 1 1 A 30 30 VAL H H 30 7.101 7.626 -0.525 1
1 283 . 8 1 1 A 30 30 VAL HA H 30 3.510 3.657 -0.147 1
1 291 . 8 1 1 A 30 30 VAL C C 30 178.913 178.255 0.658 1
1 292 . 8 1 1 A 30 30 VAL CA C 30 66.454 66.216 0.238 1
1 293 . 8 1 1 A 30 30 VAL CB C 30 31.972 31.534 0.438 1
1 296 . 8 1 1 A 30 30 VAL N N 30 118.445 119.922 -1.477 1
1 297 . 8 1 1 A 31 31 HIS H H 31 7.640 7.642 -0.002 1
1 298 . 8 1 1 A 31 31 HIS HA H 31 4.227 4.269 -0.042 1
1 303 . 8 1 1 A 31 31 HIS C C 31 178.068 176.946 1.122 1
1 304 . 8 1 1 A 31 31 HIS CA C 31 59.324 58.924 0.400 1
1 305 . 8 1 1 A 31 31 HIS CB C 31 28.585 30.141 -1.556 1
1 308 . 8 1 1 A 31 31 HIS N N 31 119.473 119.127 0.346 1
1 309 . 8 1 1 A 32 32 GLN H H 32 9.000 8.105 0.895 1
1 310 . 8 1 1 A 32 32 GLN HA H 32 3.726 4.170 -0.444 1
1 317 . 8 1 1 A 32 32 GLN C C 32 178.082 178.515 -0.433 1
1 318 . 8 1 1 A 32 32 GLN CA C 32 59.828 57.986 1.842 1
1 319 . 8 1 1 A 32 32 GLN CB C 32 28.009 28.304 -0.295 1
1 321 . 8 1 1 A 32 32 GLN N N 32 120.303 118.567 1.736 1
1 323 . 8 1 1 A 33 33 ARG H H 33 7.300 7.965 -0.665 1
1 324 . 8 1 1 A 33 33 ARG HA H 33 4.192 4.066 0.126 1
1 331 . 8 1 1 A 33 33 ARG C C 33 178.428 179.300 -0.872 1
1 332 . 8 1 1 A 33 33 ARG CA C 33 58.472 59.331 -0.859 1
1 333 . 8 1 1 A 33 33 ARG CB C 33 29.899 29.922 -0.023 1
1 336 . 8 1 1 A 33 33 ARG N N 33 117.936 120.737 -2.801 1
1 337 . 8 1 1 A 34 34 THR H H 34 7.787 7.713 0.074 1
1 338 . 8 1 1 A 34 34 THR HA H 34 4.127 3.919 0.208 1
1 343 . 8 1 1 A 34 34 THR C C 34 175.625 176.791 -1.166 1
1 344 . 8 1 1 A 34 34 THR CA C 34 64.023 65.441 -1.418 1
1 345 . 8 1 1 A 34 34 THR CB C 34 69.314 68.217 1.097 1
1 347 . 8 1 1 A 34 34 THR N N 34 109.902 114.424 -4.522 1
1 348 . 8 1 1 A 35 35 HIS H H 35 7.100 7.909 -0.809 1
1 349 . 8 1 1 A 35 35 HIS HA H 35 4.859 4.243 0.616 1
1 354 . 8 1 1 A 35 35 HIS C C 35 175.369 177.745 -2.376 1
1 355 . 8 1 1 A 35 35 HIS CA C 35 55.421 59.822 -4.401 1
1 356 . 8 1 1 A 35 35 HIS CB C 35 28.730 29.794 -1.064 1
1 359 . 8 1 1 A 35 35 HIS N N 35 118.308 119.755 -1.447 1
1 360 . 8 1 1 A 36 36 SER H H 36 7.832 8.337 -0.505 1
1 361 . 8 1 1 A 36 36 SER HA H 36 4.488 4.150 0.338 1
1 364 . 8 1 1 A 36 36 SER C C 36 175.116 176.761 -1.645 1
1 365 . 8 1 1 A 36 36 SER CA C 36 58.823 62.825 -4.002 1
1 366 . 8 1 1 A 36 36 SER CB C 36 63.948 62.491 1.457 1
1 367 . 8 1 1 A 36 36 SER N N 36 114.683 116.439 -1.756 1
1 368 . 8 1 1 A 37 37 GLY H H 37 8.324 7.844 0.480 1
1 369 . 8 1 1 A 37 37 GLY HA2 H 37 4.012 3.716 0.296 1
1 370 . 8 1 1 A 37 37 GLY HA3 H 37 4.012 3.725 0.287 1
1 371 . 8 1 1 A 37 37 GLY C C 37 174.303 175.356 -1.053 1
1 372 . 8 1 1 A 37 37 GLY CA C 37 45.417 47.224 -1.807 1
1 373 . 8 1 1 A 37 37 GLY N N 37 110.893 109.489 1.404 1
1 374 . 8 1 1 A 38 38 GLU H H 38 8.206 8.445 -0.239 1
1 375 . 8 1 1 A 38 38 GLU HA H 38 4.331 4.236 0.095 1
1 380 . 8 1 1 A 38 38 GLU C C 38 176.590 177.365 -0.775 1
1 381 . 8 1 1 A 38 38 GLU CA C 38 56.589 56.293 0.296 1
1 382 . 8 1 1 A 38 38 GLU CB C 38 30.477 29.000 1.477 1
1 384 . 8 1 1 A 38 38 GLU N N 38 120.603 122.373 -1.770 1
1 385 . 8 1 1 A 39 39 SER H H 39 8.416 7.995 0.421 1
1 386 . 8 1 1 A 39 39 SER HA H 39 4.490 4.301 0.189 1
1 389 . 8 1 1 A 39 39 SER C C 39 174.575 175.475 -0.900 1
1 390 . 8 1 1 A 39 39 SER CA C 39 58.289 61.562 -3.273 1
1 391 . 8 1 1 A 39 39 SER CB C 39 63.935 62.087 1.848 1
1 392 . 8 1 1 A 39 39 SER N N 39 116.772 115.793 0.979 1
1 393 . 8 1 1 A 40 40 GLY H H 40 8.240 7.918 0.322 1
1 394 . 8 1 1 A 40 40 GLY HA2 H 40 4.149 4.354 -0.205 1
1 395 . 8 1 1 A 40 40 GLY HA3 H 40 4.051 4.356 -0.305 1
1 396 . 8 1 1 A 40 40 GLY C C 40 171.726 172.388 -0.662 1
1 397 . 8 1 1 A 40 40 GLY CA C 40 44.662 45.652 -0.990 1
1 398 . 8 1 1 A 40 40 GLY N N 40 110.640 107.864 2.776 1
1 399 . 8 1 1 A 41 41 PRO HA H 41 4.481 4.624 -0.143 1
1 406 . 8 1 1 A 41 41 PRO C C 41 177.367 175.946 1.421 1
1 407 . 8 1 1 A 41 41 PRO CA C 41 63.234 62.460 0.774 1
1 408 . 8 1 1 A 41 41 PRO CB C 41 32.193 30.013 2.180 1
1 411 . 8 1 1 A 42 42 SER H H 42 8.538 8.563 -0.025 1
1 412 . 8 1 1 A 42 42 SER C C 42 174.673 172.871 1.802 1
1 413 . 8 1 1 A 42 42 SER CA C 42 58.495 57.921 0.574 1
1 414 . 8 1 1 A 42 42 SER CB C 42 64.033 62.181 1.852 1
1 1 . 9 1 1 A 7 7 GLY HA2 H 7 3.984 4.082 -0.098 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 3.984 4.082 -0.098 1
1 3 . 9 1 1 A 7 7 GLY C C 7 174.243 172.612 1.631 1
1 4 . 9 1 1 A 7 7 GLY CA C 7 45.345 44.032 1.313 1
1 5 . 9 1 1 A 8 8 THR H H 8 8.056 8.306 -0.250 1
1 6 . 9 1 1 A 8 8 THR HA H 8 4.351 4.908 -0.557 1
1 11 . 9 1 1 A 8 8 THR C C 8 174.506 174.353 0.153 1
1 12 . 9 1 1 A 8 8 THR CA C 8 61.679 61.172 0.507 1
1 13 . 9 1 1 A 8 8 THR CB C 8 70.039 68.904 1.135 1
1 15 . 9 1 1 A 8 8 THR N N 8 114.027 115.545 -1.518 1
1 16 . 9 1 1 A 9 9 ARG H H 9 8.379 8.601 -0.222 1
1 17 . 9 1 1 A 9 9 ARG HA H 9 4.291 4.239 0.052 1
1 24 . 9 1 1 A 9 9 ARG C C 9 176.137 176.586 -0.449 1
1 25 . 9 1 1 A 9 9 ARG CA C 9 56.291 56.458 -0.167 1
1 26 . 9 1 1 A 9 9 ARG CB C 9 30.735 30.808 -0.073 1
1 29 . 9 1 1 A 9 9 ARG N N 9 123.323 126.721 -3.398 1
1 30 . 9 1 1 A 10 10 GLU H H 10 8.420 8.770 -0.350 1
1 31 . 9 1 1 A 10 10 GLU HA H 10 4.142 4.365 -0.223 1
1 36 . 9 1 1 A 10 10 GLU C C 10 176.102 176.738 -0.636 1
1 37 . 9 1 1 A 10 10 GLU CA C 10 57.284 58.239 -0.955 1
1 38 . 9 1 1 A 10 10 GLU CB C 10 30.289 30.856 -0.567 1
1 40 . 9 1 1 A 10 10 GLU N N 10 121.984 121.630 0.354 1
1 41 . 9 1 1 A 11 11 LYS H H 11 8.035 7.589 0.446 1
1 42 . 9 1 1 A 11 11 LYS HA H 11 4.545 4.535 0.010 1
1 51 . 9 1 1 A 11 11 LYS C C 11 173.979 176.457 -2.478 1
1 52 . 9 1 1 A 11 11 LYS CA C 11 53.589 53.355 0.234 1
1 53 . 9 1 1 A 11 11 LYS CB C 11 33.028 32.527 0.501 1
1 57 . 9 1 1 A 11 11 LYS N N 11 120.453 119.433 1.020 1
1 58 . 9 1 1 A 12 12 PRO HA H 12 4.290 4.316 -0.026 1
1 65 . 9 1 1 A 12 12 PRO C C 12 176.186 175.914 0.272 1
1 66 . 9 1 1 A 12 12 PRO CA C 12 63.385 64.776 -1.391 1
1 67 . 9 1 1 A 12 12 PRO CB C 12 32.283 31.821 0.462 1
1 70 . 9 1 1 A 13 13 TYR H H 13 8.036 7.723 0.313 1
1 71 . 9 1 1 A 13 13 TYR HA H 13 4.568 4.856 -0.288 1
1 78 . 9 1 1 A 13 13 TYR C C 13 174.612 176.026 -1.414 1
1 79 . 9 1 1 A 13 13 TYR CA C 13 57.760 58.032 -0.272 1
1 80 . 9 1 1 A 13 13 TYR CB C 13 38.387 39.781 -1.394 1
1 85 . 9 1 1 A 13 13 TYR N N 13 118.849 118.294 0.555 1
1 86 . 9 1 1 A 14 14 GLU H H 14 8.552 9.157 -0.605 1
1 87 . 9 1 1 A 14 14 GLU HA H 14 4.923 5.545 -0.622 1
1 92 . 9 1 1 A 14 14 GLU C C 14 175.204 175.374 -0.170 1
1 93 . 9 1 1 A 14 14 GLU CA C 14 54.910 54.498 0.412 1
1 94 . 9 1 1 A 14 14 GLU CB C 14 33.000 33.821 -0.821 1
1 96 . 9 1 1 A 14 14 GLU N N 14 123.988 121.761 2.227 1
1 97 . 9 1 1 A 15 15 CYS H H 15 9.288 8.956 0.332 1
1 98 . 9 1 1 A 15 15 CYS HA H 15 4.591 4.591 0.000 1
1 101 . 9 1 1 A 15 15 CYS C C 15 177.502 176.083 1.419 1
1 102 . 9 1 1 A 15 15 CYS CA C 15 59.594 59.565 0.029 1
1 103 . 9 1 1 A 15 15 CYS CB C 15 29.754 28.214 1.540 1
1 104 . 9 1 1 A 15 15 CYS N N 15 126.830 124.284 2.546 1
1 105 . 9 1 1 A 16 16 SER H H 16 9.383 8.932 0.451 1
1 106 . 9 1 1 A 16 16 SER HA H 16 4.287 4.518 -0.231 1
1 109 . 9 1 1 A 16 16 SER C C 16 174.508 174.825 -0.317 1
1 110 . 9 1 1 A 16 16 SER CA C 16 60.955 59.022 1.933 1
1 111 . 9 1 1 A 16 16 SER CB C 16 63.100 63.443 -0.343 1
1 112 . 9 1 1 A 16 16 SER N N 16 128.427 123.030 5.397 1
1 113 . 9 1 1 A 17 17 GLU H H 17 8.727 7.526 1.201 1
1 114 . 9 1 1 A 17 17 GLU HA H 17 4.258 4.341 -0.083 1
1 119 . 9 1 1 A 17 17 GLU C C 17 177.133 177.945 -0.812 1
1 120 . 9 1 1 A 17 17 GLU CA C 17 58.110 57.228 0.882 1
1 121 . 9 1 1 A 17 17 GLU CB C 17 29.738 30.354 -0.616 1
1 123 . 9 1 1 A 17 17 GLU N N 17 123.127 119.118 4.009 1
1 124 . 9 1 1 A 18 18 CYS H H 18 7.939 7.943 -0.004 1
1 125 . 9 1 1 A 18 18 CYS HA H 18 5.177 4.726 0.451 1
1 128 . 9 1 1 A 18 18 CYS C C 18 176.246 175.709 0.537 1
1 129 . 9 1 1 A 18 18 CYS CA C 18 58.259 59.454 -1.195 1
1 130 . 9 1 1 A 18 18 CYS CB C 18 32.602 30.462 2.140 1
1 131 . 9 1 1 A 18 18 CYS N N 18 114.781 114.999 -0.218 1
1 132 . 9 1 1 A 19 19 GLY H H 19 8.186 8.075 0.111 1
1 133 . 9 1 1 A 19 19 GLY HA2 H 19 4.233 4.082 0.151 1
1 134 . 9 1 1 A 19 19 GLY HA3 H 19 3.870 4.094 -0.224 1
1 135 . 9 1 1 A 19 19 GLY C C 19 173.749 174.614 -0.865 1
1 136 . 9 1 1 A 19 19 GLY CA C 19 46.118 45.012 1.106 1
1 137 . 9 1 1 A 19 19 GLY N N 19 113.365 110.080 3.285 1
1 138 . 9 1 1 A 20 20 LYS H H 20 8.006 7.613 0.393 1
1 139 . 9 1 1 A 20 20 LYS HA H 20 3.923 4.197 -0.274 1
1 148 . 9 1 1 A 20 20 LYS C C 20 173.687 175.363 -1.676 1
1 149 . 9 1 1 A 20 20 LYS CA C 20 58.226 56.203 2.023 1
1 150 . 9 1 1 A 20 20 LYS CB C 20 33.596 33.305 0.291 1
1 154 . 9 1 1 A 20 20 LYS N N 20 123.138 122.611 0.527 1
1 155 . 9 1 1 A 21 21 ALA H H 21 7.748 8.070 -0.322 1
1 156 . 9 1 1 A 21 21 ALA HA H 21 5.177 5.714 -0.537 1
1 160 . 9 1 1 A 21 21 ALA C C 21 176.281 175.250 1.031 1
1 161 . 9 1 1 A 21 21 ALA CA C 21 50.328 50.472 -0.144 1
1 162 . 9 1 1 A 21 21 ALA CB C 21 22.412 24.180 -1.768 1
1 163 . 9 1 1 A 21 21 ALA N N 21 123.859 124.598 -0.739 1
1 164 . 9 1 1 A 22 22 PHE H H 22 8.670 8.834 -0.164 1
1 165 . 9 1 1 A 22 22 PHE HA H 22 4.744 5.015 -0.271 1
1 173 . 9 1 1 A 22 22 PHE C C 22 175.220 175.445 -0.225 1
1 174 . 9 1 1 A 22 22 PHE CA C 22 57.170 56.415 0.755 1
1 175 . 9 1 1 A 22 22 PHE CB C 22 43.555 43.956 -0.401 1
1 181 . 9 1 1 A 22 22 PHE N N 22 117.277 115.557 1.720 1
1 182 . 9 1 1 A 23 23 ILE H H 23 8.681 8.746 -0.065 1
1 183 . 9 1 1 A 23 23 ILE HA H 23 4.317 4.314 0.003 1
1 193 . 9 1 1 A 23 23 ILE C C 23 175.969 176.322 -0.353 1
1 194 . 9 1 1 A 23 23 ILE CA C 23 63.252 62.669 0.583 1
1 195 . 9 1 1 A 23 23 ILE CB C 23 38.840 38.657 0.183 1
1 199 . 9 1 1 A 23 23 ILE N N 23 119.186 120.421 -1.235 1
1 200 . 9 1 1 A 24 24 ARG H H 24 7.716 7.701 0.015 1
1 201 . 9 1 1 A 24 24 ARG HA H 24 4.794 4.678 0.116 1
1 208 . 9 1 1 A 24 24 ARG C C 24 176.531 175.550 0.981 1
1 209 . 9 1 1 A 24 24 ARG CA C 24 53.902 54.035 -0.133 1
1 210 . 9 1 1 A 24 24 ARG CB C 24 33.380 33.311 0.069 1
1 213 . 9 1 1 A 24 24 ARG N N 24 115.336 120.069 -4.733 1
1 214 . 9 1 1 A 25 25 ASN H H 25 8.492 8.137 0.355 1
1 215 . 9 1 1 A 25 25 ASN HA H 25 3.587 3.223 0.364 1
1 220 . 9 1 1 A 25 25 ASN C C 25 177.332 176.755 0.577 1
1 221 . 9 1 1 A 25 25 ASN CA C 25 56.127 56.348 -0.221 1
1 222 . 9 1 1 A 25 25 ASN CB C 25 38.325 38.467 -0.142 1
1 223 . 9 1 1 A 25 25 ASN N N 25 124.604 122.064 2.540 1
1 225 . 9 1 1 A 26 26 SER HA H 26 3.868 4.139 -0.271 1
1 228 . 9 1 1 A 26 26 SER C C 26 176.671 177.117 -0.446 1
1 229 . 9 1 1 A 26 26 SER CA C 26 61.484 61.369 0.115 1
1 230 . 9 1 1 A 26 26 SER CB C 26 59.671 62.692 -3.021 1
1 231 . 9 1 1 A 26 26 SER N N 26 116.000 113.813 2.187 1
1 232 . 9 1 1 A 27 27 GLN H H 27 6.676 7.650 -0.974 1
1 233 . 9 1 1 A 27 27 GLN HA H 27 3.939 4.036 -0.097 1
1 240 . 9 1 1 A 27 27 GLN C C 27 178.435 178.334 0.101 1
1 241 . 9 1 1 A 27 27 GLN CA C 27 57.514 58.660 -1.146 1
1 242 . 9 1 1 A 27 27 GLN CB C 27 28.989 28.339 0.650 1
1 244 . 9 1 1 A 27 27 GLN N N 27 119.416 121.743 -2.327 1
1 246 . 9 1 1 A 28 28 LEU H H 28 6.916 7.522 -0.606 1
1 247 . 9 1 1 A 28 28 LEU HA H 28 3.284 2.056 1.228 1
1 257 . 9 1 1 A 28 28 LEU C C 28 177.490 178.311 -0.821 1
1 258 . 9 1 1 A 28 28 LEU CA C 28 57.911 57.215 0.696 1
1 259 . 9 1 1 A 28 28 LEU CB C 28 40.185 41.315 -1.130 1
1 263 . 9 1 1 A 28 28 LEU N N 28 122.389 120.543 1.846 1
1 264 . 9 1 1 A 29 29 ILE H H 29 7.971 7.893 0.078 1
1 265 . 9 1 1 A 29 29 ILE HA H 29 3.731 3.518 0.213 1
1 275 . 9 1 1 A 29 29 ILE C C 29 179.073 177.838 1.235 1
1 276 . 9 1 1 A 29 29 ILE CA C 29 64.438 65.318 -0.880 1
1 277 . 9 1 1 A 29 29 ILE CB C 29 37.464 37.813 -0.349 1
1 281 . 9 1 1 A 29 29 ILE N N 29 119.136 119.930 -0.794 1
1 282 . 9 1 1 A 30 30 VAL H H 30 7.101 7.524 -0.423 1
1 283 . 9 1 1 A 30 30 VAL HA H 30 3.510 3.649 -0.139 1
1 291 . 9 1 1 A 30 30 VAL C C 30 178.913 178.309 0.604 1
1 292 . 9 1 1 A 30 30 VAL CA C 30 66.454 66.267 0.187 1
1 293 . 9 1 1 A 30 30 VAL CB C 30 31.972 31.561 0.411 1
1 296 . 9 1 1 A 30 30 VAL N N 30 118.445 119.907 -1.462 1
1 297 . 9 1 1 A 31 31 HIS H H 31 7.640 7.992 -0.352 1
1 298 . 9 1 1 A 31 31 HIS HA H 31 4.227 4.259 -0.032 1
1 303 . 9 1 1 A 31 31 HIS C C 31 178.068 177.576 0.492 1
1 304 . 9 1 1 A 31 31 HIS CA C 31 59.324 59.976 -0.652 1
1 305 . 9 1 1 A 31 31 HIS CB C 31 28.585 29.898 -1.313 1
1 308 . 9 1 1 A 31 31 HIS N N 31 119.473 119.028 0.445 1
1 309 . 9 1 1 A 32 32 GLN H H 32 9.000 8.022 0.978 1
1 310 . 9 1 1 A 32 32 GLN HA H 32 3.726 3.901 -0.175 1
1 317 . 9 1 1 A 32 32 GLN C C 32 178.082 178.646 -0.564 1
1 318 . 9 1 1 A 32 32 GLN CA C 32 59.828 58.981 0.847 1
1 319 . 9 1 1 A 32 32 GLN CB C 32 28.009 28.163 -0.154 1
1 321 . 9 1 1 A 32 32 GLN N N 32 120.303 119.201 1.102 1
1 323 . 9 1 1 A 33 33 ARG H H 33 7.300 7.781 -0.481 1
1 324 . 9 1 1 A 33 33 ARG HA H 33 4.192 4.037 0.155 1
1 331 . 9 1 1 A 33 33 ARG C C 33 178.428 178.705 -0.277 1
1 332 . 9 1 1 A 33 33 ARG CA C 33 58.472 58.972 -0.500 1
1 333 . 9 1 1 A 33 33 ARG CB C 33 29.899 29.870 0.029 1
1 336 . 9 1 1 A 33 33 ARG N N 33 117.936 120.226 -2.290 1
1 337 . 9 1 1 A 34 34 THR H H 34 7.787 7.793 -0.006 1
1 338 . 9 1 1 A 34 34 THR HA H 34 4.127 3.966 0.161 1
1 343 . 9 1 1 A 34 34 THR C C 34 175.625 177.170 -1.545 1
1 344 . 9 1 1 A 34 34 THR CA C 34 64.023 65.376 -1.353 1
1 345 . 9 1 1 A 34 34 THR CB C 34 69.314 67.945 1.369 1
1 347 . 9 1 1 A 34 34 THR N N 34 109.902 113.505 -3.603 1
1 348 . 9 1 1 A 35 35 HIS H H 35 7.100 7.688 -0.588 1
1 349 . 9 1 1 A 35 35 HIS HA H 35 4.859 4.288 0.571 1
1 354 . 9 1 1 A 35 35 HIS C C 35 175.369 175.937 -0.568 1
1 355 . 9 1 1 A 35 35 HIS CA C 35 55.421 59.021 -3.600 1
1 356 . 9 1 1 A 35 35 HIS CB C 35 28.730 29.584 -0.854 1
1 359 . 9 1 1 A 35 35 HIS N N 35 118.308 120.107 -1.799 1
1 360 . 9 1 1 A 36 36 SER H H 36 7.832 7.900 -0.068 1
1 361 . 9 1 1 A 36 36 SER HA H 36 4.488 4.121 0.367 1
1 364 . 9 1 1 A 36 36 SER C C 36 175.116 175.012 0.104 1
1 365 . 9 1 1 A 36 36 SER CA C 36 58.823 60.571 -1.748 1
1 366 . 9 1 1 A 36 36 SER CB C 36 63.948 63.020 0.928 1
1 367 . 9 1 1 A 36 36 SER N N 36 114.683 113.796 0.887 1
1 368 . 9 1 1 A 37 37 GLY H H 37 8.324 8.472 -0.148 1
1 369 . 9 1 1 A 37 37 GLY HA2 H 37 4.012 4.156 -0.144 1
1 370 . 9 1 1 A 37 37 GLY HA3 H 37 4.012 4.158 -0.146 1
1 371 . 9 1 1 A 37 37 GLY C C 37 174.303 174.454 -0.151 1
1 372 . 9 1 1 A 37 37 GLY CA C 37 45.417 45.735 -0.318 1
1 373 . 9 1 1 A 37 37 GLY N N 37 110.893 112.101 -1.208 1
1 374 . 9 1 1 A 38 38 GLU H H 38 8.206 8.553 -0.347 1
1 375 . 9 1 1 A 38 38 GLU HA H 38 4.331 4.130 0.201 1
1 380 . 9 1 1 A 38 38 GLU C C 38 176.590 176.526 0.064 1
1 381 . 9 1 1 A 38 38 GLU CA C 38 56.589 59.119 -2.530 1
1 382 . 9 1 1 A 38 38 GLU CB C 38 30.477 29.326 1.151 1
1 384 . 9 1 1 A 38 38 GLU N N 38 120.603 127.288 -6.685 1
1 385 . 9 1 1 A 39 39 SER H H 39 8.416 8.168 0.248 1
1 386 . 9 1 1 A 39 39 SER HA H 39 4.490 4.219 0.271 1
1 389 . 9 1 1 A 39 39 SER C C 39 174.575 173.926 0.649 1
1 390 . 9 1 1 A 39 39 SER CA C 39 58.289 59.056 -0.767 1
1 391 . 9 1 1 A 39 39 SER CB C 39 63.935 61.124 2.811 1
1 392 . 9 1 1 A 39 39 SER N N 39 116.772 114.261 2.511 1
1 393 . 9 1 1 A 40 40 GLY H H 40 8.240 8.090 0.150 1
1 394 . 9 1 1 A 40 40 GLY HA2 H 40 4.149 4.115 0.034 1
1 395 . 9 1 1 A 40 40 GLY HA3 H 40 4.051 4.116 -0.065 1
1 396 . 9 1 1 A 40 40 GLY C C 40 171.726 174.533 -2.807 1
1 397 . 9 1 1 A 40 40 GLY CA C 40 44.662 44.147 0.515 1
1 398 . 9 1 1 A 40 40 GLY N N 40 110.640 109.951 0.689 1
1 399 . 9 1 1 A 41 41 PRO HA H 41 4.481 4.525 -0.044 1
1 406 . 9 1 1 A 41 41 PRO C C 41 177.367 177.026 0.341 1
1 407 . 9 1 1 A 41 41 PRO CA C 41 63.234 63.559 -0.325 1
1 408 . 9 1 1 A 41 41 PRO CB C 41 32.193 32.226 -0.033 1
1 411 . 9 1 1 A 42 42 SER H H 42 8.538 7.800 0.738 1
1 412 . 9 1 1 A 42 42 SER C C 42 174.673 174.679 -0.006 1
1 413 . 9 1 1 A 42 42 SER CA C 42 58.495 59.782 -1.287 1
1 414 . 9 1 1 A 42 42 SER CB C 42 64.033 62.656 1.377 1
1 1 . 10 1 1 A 7 7 GLY HA2 H 7 3.984 4.082 -0.098 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 3.984 4.083 -0.099 1
1 3 . 10 1 1 A 7 7 GLY C C 7 174.243 173.048 1.195 1
1 4 . 10 1 1 A 7 7 GLY CA C 7 45.345 44.274 1.071 1
1 5 . 10 1 1 A 8 8 THR H H 8 8.056 8.262 -0.206 1
1 6 . 10 1 1 A 8 8 THR HA H 8 4.351 4.889 -0.538 1
1 11 . 10 1 1 A 8 8 THR C C 8 174.506 173.873 0.633 1
1 12 . 10 1 1 A 8 8 THR CA C 8 61.679 61.387 0.292 1
1 13 . 10 1 1 A 8 8 THR CB C 8 70.039 72.119 -2.080 1
1 15 . 10 1 1 A 8 8 THR N N 8 114.027 115.013 -0.986 1
1 16 . 10 1 1 A 9 9 ARG H H 9 8.379 8.611 -0.232 1
1 17 . 10 1 1 A 9 9 ARG HA H 9 4.291 4.190 0.101 1
1 24 . 10 1 1 A 9 9 ARG C C 9 176.137 176.569 -0.432 1
1 25 . 10 1 1 A 9 9 ARG CA C 9 56.291 56.314 -0.023 1
1 26 . 10 1 1 A 9 9 ARG CB C 9 30.735 30.482 0.253 1
1 29 . 10 1 1 A 9 9 ARG N N 9 123.323 125.929 -2.606 1
1 30 . 10 1 1 A 10 10 GLU H H 10 8.420 9.012 -0.592 1
1 31 . 10 1 1 A 10 10 GLU HA H 10 4.142 4.120 0.022 1
1 36 . 10 1 1 A 10 10 GLU C C 10 176.102 176.270 -0.168 1
1 37 . 10 1 1 A 10 10 GLU CA C 10 57.284 58.966 -1.682 1
1 38 . 10 1 1 A 10 10 GLU CB C 10 30.289 30.150 0.139 1
1 40 . 10 1 1 A 10 10 GLU N N 10 121.984 127.315 -5.331 1
1 41 . 10 1 1 A 11 11 LYS H H 11 8.035 8.059 -0.024 1
1 42 . 10 1 1 A 11 11 LYS HA H 11 4.545 4.634 -0.089 1
1 51 . 10 1 1 A 11 11 LYS C C 11 173.979 176.272 -2.293 1
1 52 . 10 1 1 A 11 11 LYS CA C 11 53.589 53.029 0.560 1
1 53 . 10 1 1 A 11 11 LYS CB C 11 33.028 33.261 -0.233 1
1 57 . 10 1 1 A 11 11 LYS N N 11 120.453 117.634 2.819 1
1 58 . 10 1 1 A 12 12 PRO HA H 12 4.290 4.299 -0.009 1
1 65 . 10 1 1 A 12 12 PRO C C 12 176.186 175.954 0.232 1
1 66 . 10 1 1 A 12 12 PRO CA C 12 63.385 64.937 -1.552 1
1 67 . 10 1 1 A 12 12 PRO CB C 12 32.283 31.689 0.594 1
1 70 . 10 1 1 A 13 13 TYR H H 13 8.036 7.582 0.454 1
1 71 . 10 1 1 A 13 13 TYR HA H 13 4.568 4.705 -0.137 1
1 78 . 10 1 1 A 13 13 TYR C C 13 174.612 176.292 -1.680 1
1 79 . 10 1 1 A 13 13 TYR CA C 13 57.760 58.404 -0.644 1
1 80 . 10 1 1 A 13 13 TYR CB C 13 38.387 39.678 -1.291 1
1 85 . 10 1 1 A 13 13 TYR N N 13 118.849 118.218 0.631 1
1 86 . 10 1 1 A 14 14 GLU H H 14 8.552 9.265 -0.713 1
1 87 . 10 1 1 A 14 14 GLU HA H 14 4.923 5.558 -0.635 1
1 92 . 10 1 1 A 14 14 GLU C C 14 175.204 174.833 0.371 1
1 93 . 10 1 1 A 14 14 GLU CA C 14 54.910 54.465 0.445 1
1 94 . 10 1 1 A 14 14 GLU CB C 14 33.000 33.883 -0.883 1
1 96 . 10 1 1 A 14 14 GLU N N 14 123.988 121.706 2.282 1
1 97 . 10 1 1 A 15 15 CYS H H 15 9.288 9.100 0.188 1
1 98 . 10 1 1 A 15 15 CYS HA H 15 4.591 4.883 -0.292 1
1 101 . 10 1 1 A 15 15 CYS C C 15 177.502 176.081 1.421 1
1 102 . 10 1 1 A 15 15 CYS CA C 15 59.594 58.267 1.327 1
1 103 . 10 1 1 A 15 15 CYS CB C 15 29.754 29.939 -0.185 1
1 104 . 10 1 1 A 15 15 CYS N N 15 126.830 122.318 4.512 1
1 105 . 10 1 1 A 16 16 SER H H 16 9.383 9.125 0.258 1
1 106 . 10 1 1 A 16 16 SER HA H 16 4.287 4.652 -0.365 1
1 109 . 10 1 1 A 16 16 SER C C 16 174.508 175.117 -0.609 1
1 110 . 10 1 1 A 16 16 SER CA C 16 60.955 58.556 2.399 1
1 111 . 10 1 1 A 16 16 SER CB C 16 63.100 63.230 -0.130 1
1 112 . 10 1 1 A 16 16 SER N N 16 128.427 122.728 5.699 1
1 113 . 10 1 1 A 17 17 GLU H H 17 8.727 7.939 0.788 1
1 114 . 10 1 1 A 17 17 GLU HA H 17 4.258 4.364 -0.106 1
1 119 . 10 1 1 A 17 17 GLU C C 17 177.133 177.863 -0.730 1
1 120 . 10 1 1 A 17 17 GLU CA C 17 58.110 56.760 1.350 1
1 121 . 10 1 1 A 17 17 GLU CB C 17 29.738 31.118 -1.380 1
1 123 . 10 1 1 A 17 17 GLU N N 17 123.127 120.750 2.377 1
1 124 . 10 1 1 A 18 18 CYS H H 18 7.939 7.975 -0.036 1
1 125 . 10 1 1 A 18 18 CYS HA H 18 5.177 4.775 0.402 1
1 128 . 10 1 1 A 18 18 CYS C C 18 176.246 175.651 0.595 1
1 129 . 10 1 1 A 18 18 CYS CA C 18 58.259 59.439 -1.180 1
1 130 . 10 1 1 A 18 18 CYS CB C 18 32.602 30.368 2.234 1
1 131 . 10 1 1 A 18 18 CYS N N 18 114.781 114.517 0.264 1
1 132 . 10 1 1 A 19 19 GLY H H 19 8.186 7.979 0.207 1
1 133 . 10 1 1 A 19 19 GLY HA2 H 19 4.233 4.058 0.175 1
1 134 . 10 1 1 A 19 19 GLY HA3 H 19 3.870 4.072 -0.202 1
1 135 . 10 1 1 A 19 19 GLY C C 19 173.749 174.591 -0.842 1
1 136 . 10 1 1 A 19 19 GLY CA C 19 46.118 45.102 1.016 1
1 137 . 10 1 1 A 19 19 GLY N N 19 113.365 109.753 3.612 1
1 138 . 10 1 1 A 20 20 LYS H H 20 8.006 7.584 0.422 1
1 139 . 10 1 1 A 20 20 LYS HA H 20 3.923 4.084 -0.161 1
1 148 . 10 1 1 A 20 20 LYS C C 20 173.687 175.209 -1.522 1
1 149 . 10 1 1 A 20 20 LYS CA C 20 58.226 56.623 1.603 1
1 150 . 10 1 1 A 20 20 LYS CB C 20 33.596 33.080 0.516 1
1 154 . 10 1 1 A 20 20 LYS N N 20 123.138 122.424 0.714 1
1 155 . 10 1 1 A 21 21 ALA H H 21 7.748 7.836 -0.088 1
1 156 . 10 1 1 A 21 21 ALA HA H 21 5.177 5.552 -0.375 1
1 160 . 10 1 1 A 21 21 ALA C C 21 176.281 175.184 1.097 1
1 161 . 10 1 1 A 21 21 ALA CA C 21 50.328 49.828 0.500 1
1 162 . 10 1 1 A 21 21 ALA CB C 21 22.412 23.516 -1.104 1
1 163 . 10 1 1 A 21 21 ALA N N 21 123.859 124.674 -0.815 1
1 164 . 10 1 1 A 22 22 PHE H H 22 8.670 9.143 -0.473 1
1 165 . 10 1 1 A 22 22 PHE HA H 22 4.744 4.932 -0.188 1
1 173 . 10 1 1 A 22 22 PHE C C 22 175.220 175.688 -0.468 1
1 174 . 10 1 1 A 22 22 PHE CA C 22 57.170 56.613 0.557 1
1 175 . 10 1 1 A 22 22 PHE CB C 22 43.555 43.571 -0.016 1
1 181 . 10 1 1 A 22 22 PHE N N 22 117.277 116.287 0.990 1
1 182 . 10 1 1 A 23 23 ILE H H 23 8.681 8.748 -0.067 1
1 183 . 10 1 1 A 23 23 ILE HA H 23 4.317 4.324 -0.007 1
1 193 . 10 1 1 A 23 23 ILE C C 23 175.969 176.493 -0.524 1
1 194 . 10 1 1 A 23 23 ILE CA C 23 63.252 62.846 0.406 1
1 195 . 10 1 1 A 23 23 ILE CB C 23 38.840 38.687 0.153 1
1 199 . 10 1 1 A 23 23 ILE N N 23 119.186 121.529 -2.343 1
1 200 . 10 1 1 A 24 24 ARG H H 24 7.716 7.779 -0.063 1
1 201 . 10 1 1 A 24 24 ARG HA H 24 4.794 4.662 0.132 1
1 208 . 10 1 1 A 24 24 ARG C C 24 176.531 175.678 0.853 1
1 209 . 10 1 1 A 24 24 ARG CA C 24 53.902 54.155 -0.253 1
1 210 . 10 1 1 A 24 24 ARG CB C 24 33.380 32.793 0.587 1
1 213 . 10 1 1 A 24 24 ARG N N 24 115.336 120.653 -5.317 1
1 214 . 10 1 1 A 25 25 ASN H H 25 8.492 8.219 0.273 1
1 215 . 10 1 1 A 25 25 ASN HA H 25 3.587 3.387 0.200 1
1 220 . 10 1 1 A 25 25 ASN C C 25 177.332 176.904 0.428 1
1 221 . 10 1 1 A 25 25 ASN CA C 25 56.127 56.502 -0.375 1
1 222 . 10 1 1 A 25 25 ASN CB C 25 38.325 38.188 0.137 1
1 223 . 10 1 1 A 25 25 ASN N N 25 124.604 122.938 1.666 1
1 225 . 10 1 1 A 26 26 SER HA H 26 3.868 4.074 -0.206 1
1 228 . 10 1 1 A 26 26 SER C C 26 176.671 176.361 0.310 1
1 229 . 10 1 1 A 26 26 SER CA C 26 61.484 61.629 -0.145 1
1 230 . 10 1 1 A 26 26 SER CB C 26 59.671 63.065 -3.394 1
1 231 . 10 1 1 A 26 26 SER N N 26 116.000 115.908 0.092 1
1 232 . 10 1 1 A 27 27 GLN H H 27 6.676 7.877 -1.201 1
1 233 . 10 1 1 A 27 27 GLN HA H 27 3.939 3.989 -0.050 1
1 240 . 10 1 1 A 27 27 GLN C C 27 178.435 177.843 0.592 1
1 241 . 10 1 1 A 27 27 GLN CA C 27 57.514 58.539 -1.025 1
1 242 . 10 1 1 A 27 27 GLN CB C 27 28.989 28.438 0.551 1
1 244 . 10 1 1 A 27 27 GLN N N 27 119.416 121.197 -1.781 1
1 246 . 10 1 1 A 28 28 LEU H H 28 6.916 7.523 -0.607 1
1 247 . 10 1 1 A 28 28 LEU HA H 28 3.284 1.667 1.617 1
1 257 . 10 1 1 A 28 28 LEU C C 28 177.490 178.299 -0.809 1
1 258 . 10 1 1 A 28 28 LEU CA C 28 57.911 57.375 0.536 1
1 259 . 10 1 1 A 28 28 LEU CB C 28 40.185 41.302 -1.117 1
1 263 . 10 1 1 A 28 28 LEU N N 28 122.389 121.070 1.319 1
1 264 . 10 1 1 A 29 29 ILE H H 29 7.971 7.921 0.050 1
1 265 . 10 1 1 A 29 29 ILE HA H 29 3.731 3.508 0.223 1
1 275 . 10 1 1 A 29 29 ILE C C 29 179.073 177.879 1.194 1
1 276 . 10 1 1 A 29 29 ILE CA C 29 64.438 65.333 -0.895 1
1 277 . 10 1 1 A 29 29 ILE CB C 29 37.464 37.612 -0.148 1
1 281 . 10 1 1 A 29 29 ILE N N 29 119.136 119.736 -0.600 1
1 282 . 10 1 1 A 30 30 VAL H H 30 7.101 7.426 -0.325 1
1 283 . 10 1 1 A 30 30 VAL HA H 30 3.510 3.649 -0.139 1
1 291 . 10 1 1 A 30 30 VAL C C 30 178.913 178.239 0.674 1
1 292 . 10 1 1 A 30 30 VAL CA C 30 66.454 66.250 0.204 1
1 293 . 10 1 1 A 30 30 VAL CB C 30 31.972 31.553 0.419 1
1 296 . 10 1 1 A 30 30 VAL N N 30 118.445 119.883 -1.438 1
1 297 . 10 1 1 A 31 31 HIS H H 31 7.640 7.982 -0.342 1
1 298 . 10 1 1 A 31 31 HIS HA H 31 4.227 4.226 0.001 1
1 303 . 10 1 1 A 31 31 HIS C C 31 178.068 177.608 0.460 1
1 304 . 10 1 1 A 31 31 HIS CA C 31 59.324 60.109 -0.785 1
1 305 . 10 1 1 A 31 31 HIS CB C 31 28.585 29.973 -1.388 1
1 308 . 10 1 1 A 31 31 HIS N N 31 119.473 119.220 0.253 1
1 309 . 10 1 1 A 32 32 GLN H H 32 9.000 8.104 0.896 1
1 310 . 10 1 1 A 32 32 GLN HA H 32 3.726 3.846 -0.120 1
1 317 . 10 1 1 A 32 32 GLN C C 32 178.082 178.965 -0.883 1
1 318 . 10 1 1 A 32 32 GLN CA C 32 59.828 59.050 0.778 1
1 319 . 10 1 1 A 32 32 GLN CB C 32 28.009 28.260 -0.251 1
1 321 . 10 1 1 A 32 32 GLN N N 32 120.303 119.084 1.219 1
1 323 . 10 1 1 A 33 33 ARG H H 33 7.300 7.809 -0.509 1
1 324 . 10 1 1 A 33 33 ARG HA H 33 4.192 4.050 0.142 1
1 331 . 10 1 1 A 33 33 ARG C C 33 178.428 178.887 -0.459 1
1 332 . 10 1 1 A 33 33 ARG CA C 33 58.472 59.400 -0.928 1
1 333 . 10 1 1 A 33 33 ARG CB C 33 29.899 29.925 -0.026 1
1 336 . 10 1 1 A 33 33 ARG N N 33 117.936 120.425 -2.489 1
1 337 . 10 1 1 A 34 34 THR H H 34 7.787 7.759 0.028 1
1 338 . 10 1 1 A 34 34 THR HA H 34 4.127 3.939 0.188 1
1 343 . 10 1 1 A 34 34 THR C C 34 175.625 177.201 -1.576 1
1 344 . 10 1 1 A 34 34 THR CA C 34 64.023 65.635 -1.612 1
1 345 . 10 1 1 A 34 34 THR CB C 34 69.314 67.924 1.390 1
1 347 . 10 1 1 A 34 34 THR N N 34 109.902 113.326 -3.424 1
1 348 . 10 1 1 A 35 35 HIS H H 35 7.100 7.737 -0.637 1
1 349 . 10 1 1 A 35 35 HIS HA H 35 4.859 4.277 0.582 1
1 354 . 10 1 1 A 35 35 HIS C C 35 175.369 175.824 -0.455 1
1 355 . 10 1 1 A 35 35 HIS CA C 35 55.421 59.410 -3.989 1
1 356 . 10 1 1 A 35 35 HIS CB C 35 28.730 30.264 -1.534 1
1 359 . 10 1 1 A 35 35 HIS N N 35 118.308 119.970 -1.662 1
1 360 . 10 1 1 A 36 36 SER H H 36 7.832 7.715 0.117 1
1 361 . 10 1 1 A 36 36 SER HA H 36 4.488 3.994 0.494 1
1 364 . 10 1 1 A 36 36 SER C C 36 175.116 175.873 -0.757 1
1 365 . 10 1 1 A 36 36 SER CA C 36 58.823 59.950 -1.127 1
1 366 . 10 1 1 A 36 36 SER CB C 36 63.948 63.096 0.852 1
1 367 . 10 1 1 A 36 36 SER N N 36 114.683 114.226 0.457 1
1 368 . 10 1 1 A 37 37 GLY H H 37 8.324 8.817 -0.493 1
1 369 . 10 1 1 A 37 37 GLY HA2 H 37 4.012 3.879 0.133 1
1 370 . 10 1 1 A 37 37 GLY HA3 H 37 4.012 3.883 0.129 1
1 371 . 10 1 1 A 37 37 GLY C C 37 174.303 173.660 0.643 1
1 372 . 10 1 1 A 37 37 GLY CA C 37 45.417 46.406 -0.989 1
1 373 . 10 1 1 A 37 37 GLY N N 37 110.893 114.594 -3.701 1
1 374 . 10 1 1 A 38 38 GLU H H 38 8.206 7.704 0.502 1
1 375 . 10 1 1 A 38 38 GLU HA H 38 4.331 4.717 -0.386 1
1 380 . 10 1 1 A 38 38 GLU C C 38 176.590 174.496 2.094 1
1 381 . 10 1 1 A 38 38 GLU CA C 38 56.589 55.100 1.489 1
1 382 . 10 1 1 A 38 38 GLU CB C 38 30.477 32.773 -2.296 1
1 384 . 10 1 1 A 38 38 GLU N N 38 120.603 118.819 1.784 1
1 385 . 10 1 1 A 39 39 SER H H 39 8.416 8.986 -0.570 1
1 386 . 10 1 1 A 39 39 SER HA H 39 4.490 4.502 -0.012 1
1 389 . 10 1 1 A 39 39 SER C C 39 174.575 174.511 0.064 1
1 390 . 10 1 1 A 39 39 SER CA C 39 58.289 60.277 -1.988 1
1 391 . 10 1 1 A 39 39 SER CB C 39 63.935 63.082 0.853 1
1 392 . 10 1 1 A 39 39 SER N N 39 116.772 122.440 -5.668 1
1 393 . 10 1 1 A 40 40 GLY H H 40 8.240 8.390 -0.150 1
1 394 . 10 1 1 A 40 40 GLY HA2 H 40 4.149 4.130 0.019 1
1 395 . 10 1 1 A 40 40 GLY HA3 H 40 4.051 4.134 -0.083 1
1 396 . 10 1 1 A 40 40 GLY C C 40 171.726 172.990 -1.264 1
1 397 . 10 1 1 A 40 40 GLY CA C 40 44.662 45.802 -1.140 1
1 398 . 10 1 1 A 40 40 GLY N N 40 110.640 113.402 -2.762 1
1 399 . 10 1 1 A 41 41 PRO HA H 41 4.481 4.527 -0.046 1
1 406 . 10 1 1 A 41 41 PRO C C 41 177.367 176.634 0.733 1
1 407 . 10 1 1 A 41 41 PRO CA C 41 63.234 62.728 0.506 1
1 408 . 10 1 1 A 41 41 PRO CB C 41 32.193 32.069 0.124 1
1 411 . 10 1 1 A 42 42 SER H H 42 8.538 8.466 0.072 1
1 412 . 10 1 1 A 42 42 SER C C 42 174.673 173.586 1.087 1
1 413 . 10 1 1 A 42 42 SER CA C 42 58.495 59.165 -0.670 1
1 414 . 10 1 1 A 42 42 SER CB C 42 64.033 63.129 0.904 1
1 1 . 11 1 1 A 7 7 GLY HA2 H 7 3.984 4.321 -0.337 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 3.984 4.323 -0.339 1
1 3 . 11 1 1 A 7 7 GLY C C 7 174.243 171.736 2.507 1
1 4 . 11 1 1 A 7 7 GLY CA C 7 45.345 46.031 -0.686 1
1 5 . 11 1 1 A 8 8 THR H H 8 8.056 8.065 -0.009 1
1 6 . 11 1 1 A 8 8 THR HA H 8 4.351 4.907 -0.556 1
1 11 . 11 1 1 A 8 8 THR C C 8 174.506 172.766 1.740 1
1 12 . 11 1 1 A 8 8 THR CA C 8 61.679 60.413 1.266 1
1 13 . 11 1 1 A 8 8 THR CB C 8 70.039 70.661 -0.622 1
1 15 . 11 1 1 A 8 8 THR N N 8 114.027 114.037 -0.010 1
1 16 . 11 1 1 A 9 9 ARG H H 9 8.379 8.689 -0.310 1
1 17 . 11 1 1 A 9 9 ARG HA H 9 4.291 4.466 -0.175 1
1 24 . 11 1 1 A 9 9 ARG C C 9 176.137 177.290 -1.153 1
1 25 . 11 1 1 A 9 9 ARG CA C 9 56.291 54.980 1.311 1
1 26 . 11 1 1 A 9 9 ARG CB C 9 30.735 31.806 -1.071 1
1 29 . 11 1 1 A 9 9 ARG N N 9 123.323 124.197 -0.874 1
1 30 . 11 1 1 A 10 10 GLU H H 10 8.420 8.953 -0.533 1
1 31 . 11 1 1 A 10 10 GLU HA H 10 4.142 4.180 -0.038 1
1 36 . 11 1 1 A 10 10 GLU C C 10 176.102 177.109 -1.007 1
1 37 . 11 1 1 A 10 10 GLU CA C 10 57.284 58.955 -1.671 1
1 38 . 11 1 1 A 10 10 GLU CB C 10 30.289 29.588 0.701 1
1 40 . 11 1 1 A 10 10 GLU N N 10 121.984 123.290 -1.306 1
1 41 . 11 1 1 A 11 11 LYS H H 11 8.035 7.484 0.551 1
1 42 . 11 1 1 A 11 11 LYS HA H 11 4.545 4.375 0.170 1
1 51 . 11 1 1 A 11 11 LYS C C 11 173.979 176.749 -2.770 1
1 52 . 11 1 1 A 11 11 LYS CA C 11 53.589 55.344 -1.755 1
1 53 . 11 1 1 A 11 11 LYS CB C 11 33.028 32.156 0.872 1
1 57 . 11 1 1 A 11 11 LYS N N 11 120.453 120.692 -0.239 1
1 58 . 11 1 1 A 12 12 PRO HA H 12 4.290 4.355 -0.065 1
1 65 . 11 1 1 A 12 12 PRO C C 12 176.186 176.020 0.166 1
1 66 . 11 1 1 A 12 12 PRO CA C 12 63.385 65.224 -1.839 1
1 67 . 11 1 1 A 12 12 PRO CB C 12 32.283 31.601 0.682 1
1 70 . 11 1 1 A 13 13 TYR H H 13 8.036 7.273 0.763 1
1 71 . 11 1 1 A 13 13 TYR HA H 13 4.568 4.729 -0.161 1
1 78 . 11 1 1 A 13 13 TYR C C 13 174.612 176.552 -1.940 1
1 79 . 11 1 1 A 13 13 TYR CA C 13 57.760 58.831 -1.071 1
1 80 . 11 1 1 A 13 13 TYR CB C 13 38.387 39.266 -0.879 1
1 85 . 11 1 1 A 13 13 TYR N N 13 118.849 118.258 0.591 1
1 86 . 11 1 1 A 14 14 GLU H H 14 8.552 9.166 -0.614 1
1 87 . 11 1 1 A 14 14 GLU HA H 14 4.923 5.563 -0.640 1
1 92 . 11 1 1 A 14 14 GLU C C 14 175.204 175.550 -0.346 1
1 93 . 11 1 1 A 14 14 GLU CA C 14 54.910 54.328 0.582 1
1 94 . 11 1 1 A 14 14 GLU CB C 14 33.000 33.424 -0.424 1
1 96 . 11 1 1 A 14 14 GLU N N 14 123.988 122.901 1.087 1
1 97 . 11 1 1 A 15 15 CYS H H 15 9.288 9.009 0.279 1
1 98 . 11 1 1 A 15 15 CYS HA H 15 4.591 4.681 -0.090 1
1 101 . 11 1 1 A 15 15 CYS C C 15 177.502 176.876 0.626 1
1 102 . 11 1 1 A 15 15 CYS CA C 15 59.594 59.602 -0.008 1
1 103 . 11 1 1 A 15 15 CYS CB C 15 29.754 28.469 1.285 1
1 104 . 11 1 1 A 15 15 CYS N N 15 126.830 123.430 3.400 1
1 105 . 11 1 1 A 16 16 SER H H 16 9.383 9.058 0.325 1
1 106 . 11 1 1 A 16 16 SER HA H 16 4.287 4.437 -0.150 1
1 109 . 11 1 1 A 16 16 SER C C 16 174.508 173.740 0.768 1
1 110 . 11 1 1 A 16 16 SER CA C 16 60.955 59.072 1.883 1
1 111 . 11 1 1 A 16 16 SER CB C 16 63.100 62.913 0.187 1
1 112 . 11 1 1 A 16 16 SER N N 16 128.427 122.162 6.265 1
1 113 . 11 1 1 A 17 17 GLU H H 17 8.727 7.979 0.748 1
1 114 . 11 1 1 A 17 17 GLU HA H 17 4.258 4.420 -0.162 1
1 119 . 11 1 1 A 17 17 GLU C C 17 177.133 177.798 -0.665 1
1 120 . 11 1 1 A 17 17 GLU CA C 17 58.110 57.036 1.074 1
1 121 . 11 1 1 A 17 17 GLU CB C 17 29.738 31.953 -2.215 1
1 123 . 11 1 1 A 17 17 GLU N N 17 123.127 118.748 4.379 1
1 124 . 11 1 1 A 18 18 CYS H H 18 7.939 8.101 -0.162 1
1 125 . 11 1 1 A 18 18 CYS HA H 18 5.177 4.747 0.430 1
1 128 . 11 1 1 A 18 18 CYS C C 18 176.246 175.663 0.583 1
1 129 . 11 1 1 A 18 18 CYS CA C 18 58.259 59.377 -1.118 1
1 130 . 11 1 1 A 18 18 CYS CB C 18 32.602 30.305 2.297 1
1 131 . 11 1 1 A 18 18 CYS N N 18 114.781 114.853 -0.072 1
1 132 . 11 1 1 A 19 19 GLY H H 19 8.186 8.149 0.037 1
1 133 . 11 1 1 A 19 19 GLY HA2 H 19 4.233 4.070 0.163 1
1 134 . 11 1 1 A 19 19 GLY HA3 H 19 3.870 4.084 -0.214 1
1 135 . 11 1 1 A 19 19 GLY C C 19 173.749 174.678 -0.929 1
1 136 . 11 1 1 A 19 19 GLY CA C 19 46.118 45.087 1.031 1
1 137 . 11 1 1 A 19 19 GLY N N 19 113.365 110.109 3.256 1
1 138 . 11 1 1 A 20 20 LYS H H 20 8.006 7.572 0.434 1
1 139 . 11 1 1 A 20 20 LYS HA H 20 3.923 4.219 -0.296 1
1 148 . 11 1 1 A 20 20 LYS C C 20 173.687 175.365 -1.678 1
1 149 . 11 1 1 A 20 20 LYS CA C 20 58.226 56.160 2.066 1
1 150 . 11 1 1 A 20 20 LYS CB C 20 33.596 33.263 0.333 1
1 154 . 11 1 1 A 20 20 LYS N N 20 123.138 122.624 0.514 1
1 155 . 11 1 1 A 21 21 ALA H H 21 7.748 7.919 -0.171 1
1 156 . 11 1 1 A 21 21 ALA HA H 21 5.177 5.677 -0.500 1
1 160 . 11 1 1 A 21 21 ALA C C 21 176.281 175.071 1.210 1
1 161 . 11 1 1 A 21 21 ALA CA C 21 50.328 50.370 -0.042 1
1 162 . 11 1 1 A 21 21 ALA CB C 21 22.412 23.826 -1.414 1
1 163 . 11 1 1 A 21 21 ALA N N 21 123.859 124.398 -0.539 1
1 164 . 11 1 1 A 22 22 PHE H H 22 8.670 9.052 -0.382 1
1 165 . 11 1 1 A 22 22 PHE HA H 22 4.744 5.029 -0.285 1
1 173 . 11 1 1 A 22 22 PHE C C 22 175.220 175.495 -0.275 1
1 174 . 11 1 1 A 22 22 PHE CA C 22 57.170 56.622 0.548 1
1 175 . 11 1 1 A 22 22 PHE CB C 22 43.555 43.693 -0.138 1
1 181 . 11 1 1 A 22 22 PHE N N 22 117.277 116.170 1.107 1
1 182 . 11 1 1 A 23 23 ILE H H 23 8.681 8.713 -0.032 1
1 183 . 11 1 1 A 23 23 ILE HA H 23 4.317 4.288 0.029 1
1 193 . 11 1 1 A 23 23 ILE C C 23 175.969 176.432 -0.463 1
1 194 . 11 1 1 A 23 23 ILE CA C 23 63.252 62.677 0.575 1
1 195 . 11 1 1 A 23 23 ILE CB C 23 38.840 38.620 0.220 1
1 199 . 11 1 1 A 23 23 ILE N N 23 119.186 120.455 -1.269 1
1 200 . 11 1 1 A 24 24 ARG H H 24 7.716 7.813 -0.097 1
1 201 . 11 1 1 A 24 24 ARG HA H 24 4.794 4.559 0.235 1
1 208 . 11 1 1 A 24 24 ARG C C 24 176.531 175.466 1.065 1
1 209 . 11 1 1 A 24 24 ARG CA C 24 53.902 54.048 -0.146 1
1 210 . 11 1 1 A 24 24 ARG CB C 24 33.380 32.879 0.501 1
1 213 . 11 1 1 A 24 24 ARG N N 24 115.336 120.771 -5.435 1
1 214 . 11 1 1 A 25 25 ASN H H 25 8.492 7.899 0.593 1
1 215 . 11 1 1 A 25 25 ASN HA H 25 3.587 3.412 0.175 1
1 220 . 11 1 1 A 25 25 ASN C C 25 177.332 176.787 0.545 1
1 221 . 11 1 1 A 25 25 ASN CA C 25 56.127 56.478 -0.351 1
1 222 . 11 1 1 A 25 25 ASN CB C 25 38.325 38.362 -0.037 1
1 223 . 11 1 1 A 25 25 ASN N N 25 124.604 121.972 2.632 1
1 225 . 11 1 1 A 26 26 SER HA H 26 3.868 3.945 -0.077 1
1 228 . 11 1 1 A 26 26 SER C C 26 176.671 176.982 -0.311 1
1 229 . 11 1 1 A 26 26 SER CA C 26 61.484 61.305 0.179 1
1 230 . 11 1 1 A 26 26 SER CB C 26 59.671 62.913 -3.242 1
1 231 . 11 1 1 A 26 26 SER N N 26 116.000 113.600 2.400 1
1 232 . 11 1 1 A 27 27 GLN H H 27 6.676 7.734 -1.058 1
1 233 . 11 1 1 A 27 27 GLN HA H 27 3.939 3.957 -0.018 1
1 240 . 11 1 1 A 27 27 GLN C C 27 178.435 178.078 0.357 1
1 241 . 11 1 1 A 27 27 GLN CA C 27 57.514 58.843 -1.329 1
1 242 . 11 1 1 A 27 27 GLN CB C 27 28.989 28.201 0.788 1
1 244 . 11 1 1 A 27 27 GLN N N 27 119.416 121.532 -2.116 1
1 246 . 11 1 1 A 28 28 LEU H H 28 6.916 7.280 -0.364 1
1 247 . 11 1 1 A 28 28 LEU HA H 28 3.284 2.221 1.063 1
1 257 . 11 1 1 A 28 28 LEU C C 28 177.490 178.474 -0.984 1
1 258 . 11 1 1 A 28 28 LEU CA C 28 57.911 57.505 0.406 1
1 259 . 11 1 1 A 28 28 LEU CB C 28 40.185 41.339 -1.154 1
1 263 . 11 1 1 A 28 28 LEU N N 28 122.389 120.976 1.413 1
1 264 . 11 1 1 A 29 29 ILE H H 29 7.971 8.058 -0.087 1
1 265 . 11 1 1 A 29 29 ILE HA H 29 3.731 3.538 0.193 1
1 275 . 11 1 1 A 29 29 ILE C C 29 179.073 177.942 1.131 1
1 276 . 11 1 1 A 29 29 ILE CA C 29 64.438 65.350 -0.912 1
1 277 . 11 1 1 A 29 29 ILE CB C 29 37.464 37.821 -0.357 1
1 281 . 11 1 1 A 29 29 ILE N N 29 119.136 119.775 -0.639 1
1 282 . 11 1 1 A 30 30 VAL H H 30 7.101 7.551 -0.450 1
1 283 . 11 1 1 A 30 30 VAL HA H 30 3.510 3.650 -0.140 1
1 291 . 11 1 1 A 30 30 VAL C C 30 178.913 177.906 1.007 1
1 292 . 11 1 1 A 30 30 VAL CA C 30 66.454 66.287 0.167 1
1 293 . 11 1 1 A 30 30 VAL CB C 30 31.972 31.438 0.534 1
1 296 . 11 1 1 A 30 30 VAL N N 30 118.445 119.999 -1.554 1
1 297 . 11 1 1 A 31 31 HIS H H 31 7.640 8.065 -0.425 1
1 298 . 11 1 1 A 31 31 HIS HA H 31 4.227 4.205 0.022 1
1 303 . 11 1 1 A 31 31 HIS C C 31 178.068 177.406 0.662 1
1 304 . 11 1 1 A 31 31 HIS CA C 31 59.324 60.414 -1.090 1
1 305 . 11 1 1 A 31 31 HIS CB C 31 28.585 29.662 -1.077 1
1 308 . 11 1 1 A 31 31 HIS N N 31 119.473 119.098 0.375 1
1 309 . 11 1 1 A 32 32 GLN H H 32 9.000 8.126 0.874 1
1 310 . 11 1 1 A 32 32 GLN HA H 32 3.726 3.874 -0.148 1
1 317 . 11 1 1 A 32 32 GLN C C 32 178.082 179.008 -0.926 1
1 318 . 11 1 1 A 32 32 GLN CA C 32 59.828 59.217 0.611 1
1 319 . 11 1 1 A 32 32 GLN CB C 32 28.009 28.354 -0.345 1
1 321 . 11 1 1 A 32 32 GLN N N 32 120.303 119.098 1.205 1
1 323 . 11 1 1 A 33 33 ARG H H 33 7.300 7.708 -0.408 1
1 324 . 11 1 1 A 33 33 ARG HA H 33 4.192 4.054 0.138 1
1 331 . 11 1 1 A 33 33 ARG C C 33 178.428 178.926 -0.498 1
1 332 . 11 1 1 A 33 33 ARG CA C 33 58.472 59.215 -0.743 1
1 333 . 11 1 1 A 33 33 ARG CB C 33 29.899 29.819 0.080 1
1 336 . 11 1 1 A 33 33 ARG N N 33 117.936 120.399 -2.463 1
1 337 . 11 1 1 A 34 34 THR H H 34 7.787 7.920 -0.133 1
1 338 . 11 1 1 A 34 34 THR HA H 34 4.127 3.939 0.188 1
1 343 . 11 1 1 A 34 34 THR C C 34 175.625 177.190 -1.565 1
1 344 . 11 1 1 A 34 34 THR CA C 34 64.023 65.645 -1.622 1
1 345 . 11 1 1 A 34 34 THR CB C 34 69.314 67.961 1.353 1
1 347 . 11 1 1 A 34 34 THR N N 34 109.902 113.349 -3.447 1
1 348 . 11 1 1 A 35 35 HIS H H 35 7.100 7.971 -0.871 1
1 349 . 11 1 1 A 35 35 HIS HA H 35 4.859 4.209 0.650 1
1 354 . 11 1 1 A 35 35 HIS C C 35 175.369 177.446 -2.077 1
1 355 . 11 1 1 A 35 35 HIS CA C 35 55.421 59.839 -4.418 1
1 356 . 11 1 1 A 35 35 HIS CB C 35 28.730 29.570 -0.840 1
1 359 . 11 1 1 A 35 35 HIS N N 35 118.308 120.187 -1.879 1
1 360 . 11 1 1 A 36 36 SER H H 36 7.832 8.278 -0.446 1
1 361 . 11 1 1 A 36 36 SER HA H 36 4.488 4.076 0.412 1
1 364 . 11 1 1 A 36 36 SER C C 36 175.116 175.818 -0.702 1
1 365 . 11 1 1 A 36 36 SER CA C 36 58.823 61.761 -2.938 1
1 366 . 11 1 1 A 36 36 SER CB C 36 63.948 62.903 1.045 1
1 367 . 11 1 1 A 36 36 SER N N 36 114.683 113.911 0.772 1
1 368 . 11 1 1 A 37 37 GLY H H 37 8.324 8.121 0.203 1
1 369 . 11 1 1 A 37 37 GLY HA2 H 37 4.012 4.038 -0.026 1
1 370 . 11 1 1 A 37 37 GLY HA3 H 37 4.012 4.046 -0.034 1
1 371 . 11 1 1 A 37 37 GLY C C 37 174.303 174.519 -0.216 1
1 372 . 11 1 1 A 37 37 GLY CA C 37 45.417 44.417 1.000 1
1 373 . 11 1 1 A 37 37 GLY N N 37 110.893 109.853 1.040 1
1 374 . 11 1 1 A 38 38 GLU H H 38 8.206 8.874 -0.668 1
1 375 . 11 1 1 A 38 38 GLU HA H 38 4.331 3.916 0.415 1
1 380 . 11 1 1 A 38 38 GLU C C 38 176.590 175.843 0.747 1
1 381 . 11 1 1 A 38 38 GLU CA C 38 56.589 57.212 -0.623 1
1 382 . 11 1 1 A 38 38 GLU CB C 38 30.477 27.843 2.634 1
1 384 . 11 1 1 A 38 38 GLU N N 38 120.603 117.901 2.702 1
1 385 . 11 1 1 A 39 39 SER H H 39 8.416 7.952 0.464 1
1 386 . 11 1 1 A 39 39 SER HA H 39 4.490 4.630 -0.140 1
1 389 . 11 1 1 A 39 39 SER C C 39 174.575 174.355 0.220 1
1 390 . 11 1 1 A 39 39 SER CA C 39 58.289 59.593 -1.304 1
1 391 . 11 1 1 A 39 39 SER CB C 39 63.935 65.603 -1.668 1
1 392 . 11 1 1 A 39 39 SER N N 39 116.772 113.493 3.279 1
1 393 . 11 1 1 A 40 40 GLY H H 40 8.240 7.798 0.442 1
1 394 . 11 1 1 A 40 40 GLY HA2 H 40 4.149 4.068 0.081 1
1 395 . 11 1 1 A 40 40 GLY HA3 H 40 4.051 4.069 -0.018 1
1 396 . 11 1 1 A 40 40 GLY C C 40 171.726 173.406 -1.680 1
1 397 . 11 1 1 A 40 40 GLY CA C 40 44.662 43.821 0.841 1
1 398 . 11 1 1 A 40 40 GLY N N 40 110.640 107.749 2.891 1
1 399 . 11 1 1 A 41 41 PRO HA H 41 4.481 4.663 -0.182 1
1 406 . 11 1 1 A 41 41 PRO C C 41 177.367 175.935 1.432 1
1 407 . 11 1 1 A 41 41 PRO CA C 41 63.234 62.659 0.575 1
1 408 . 11 1 1 A 41 41 PRO CB C 41 32.193 33.664 -1.471 1
1 411 . 11 1 1 A 42 42 SER H H 42 8.538 8.477 0.061 1
1 412 . 11 1 1 A 42 42 SER C C 42 174.673 172.588 2.085 1
1 413 . 11 1 1 A 42 42 SER CA C 42 58.495 57.739 0.756 1
1 414 . 11 1 1 A 42 42 SER CB C 42 64.033 65.936 -1.903 1
1 1 . 12 1 1 A 7 7 GLY HA2 H 7 3.984 4.126 -0.142 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 3.984 4.126 -0.142 1
1 3 . 12 1 1 A 7 7 GLY C C 7 174.243 173.114 1.129 1
1 4 . 12 1 1 A 7 7 GLY CA C 7 45.345 44.066 1.279 1
1 5 . 12 1 1 A 8 8 THR H H 8 8.056 8.362 -0.306 1
1 6 . 12 1 1 A 8 8 THR HA H 8 4.351 4.639 -0.288 1
1 11 . 12 1 1 A 8 8 THR C C 8 174.506 173.996 0.510 1
1 12 . 12 1 1 A 8 8 THR CA C 8 61.679 60.872 0.807 1
1 13 . 12 1 1 A 8 8 THR CB C 8 70.039 68.895 1.144 1
1 15 . 12 1 1 A 8 8 THR N N 8 114.027 114.818 -0.791 1
1 16 . 12 1 1 A 9 9 ARG H H 9 8.379 7.571 0.808 1
1 17 . 12 1 1 A 9 9 ARG HA H 9 4.291 4.564 -0.273 1
1 24 . 12 1 1 A 9 9 ARG C C 9 176.137 176.029 0.108 1
1 25 . 12 1 1 A 9 9 ARG CA C 9 56.291 54.117 2.174 1
1 26 . 12 1 1 A 9 9 ARG CB C 9 30.735 29.277 1.458 1
1 29 . 12 1 1 A 9 9 ARG N N 9 123.323 122.720 0.603 1
1 30 . 12 1 1 A 10 10 GLU H H 10 8.420 8.512 -0.092 1
1 31 . 12 1 1 A 10 10 GLU HA H 10 4.142 4.061 0.081 1
1 36 . 12 1 1 A 10 10 GLU C C 10 176.102 177.172 -1.070 1
1 37 . 12 1 1 A 10 10 GLU CA C 10 57.284 59.254 -1.970 1
1 38 . 12 1 1 A 10 10 GLU CB C 10 30.289 29.845 0.444 1
1 40 . 12 1 1 A 10 10 GLU N N 10 121.984 126.069 -4.085 1
1 41 . 12 1 1 A 11 11 LYS H H 11 8.035 7.472 0.563 1
1 42 . 12 1 1 A 11 11 LYS HA H 11 4.545 4.481 0.064 1
1 51 . 12 1 1 A 11 11 LYS C C 11 173.979 176.381 -2.402 1
1 52 . 12 1 1 A 11 11 LYS CA C 11 53.589 54.345 -0.756 1
1 53 . 12 1 1 A 11 11 LYS CB C 11 33.028 31.831 1.197 1
1 57 . 12 1 1 A 11 11 LYS N N 11 120.453 119.822 0.631 1
1 58 . 12 1 1 A 12 12 PRO HA H 12 4.290 4.333 -0.043 1
1 65 . 12 1 1 A 12 12 PRO C C 12 176.186 175.940 0.246 1
1 66 . 12 1 1 A 12 12 PRO CA C 12 63.385 65.058 -1.673 1
1 67 . 12 1 1 A 12 12 PRO CB C 12 32.283 31.720 0.563 1
1 70 . 12 1 1 A 13 13 TYR H H 13 8.036 7.464 0.572 1
1 71 . 12 1 1 A 13 13 TYR HA H 13 4.568 4.715 -0.147 1
1 78 . 12 1 1 A 13 13 TYR C C 13 174.612 176.623 -2.011 1
1 79 . 12 1 1 A 13 13 TYR CA C 13 57.760 58.409 -0.649 1
1 80 . 12 1 1 A 13 13 TYR CB C 13 38.387 40.041 -1.654 1
1 85 . 12 1 1 A 13 13 TYR N N 13 118.849 118.261 0.588 1
1 86 . 12 1 1 A 14 14 GLU H H 14 8.552 9.235 -0.683 1
1 87 . 12 1 1 A 14 14 GLU HA H 14 4.923 5.598 -0.675 1
1 92 . 12 1 1 A 14 14 GLU C C 14 175.204 175.366 -0.162 1
1 93 . 12 1 1 A 14 14 GLU CA C 14 54.910 54.319 0.591 1
1 94 . 12 1 1 A 14 14 GLU CB C 14 33.000 33.856 -0.856 1
1 96 . 12 1 1 A 14 14 GLU N N 14 123.988 121.546 2.442 1
1 97 . 12 1 1 A 15 15 CYS H H 15 9.288 9.036 0.252 1
1 98 . 12 1 1 A 15 15 CYS HA H 15 4.591 4.528 0.063 1
1 101 . 12 1 1 A 15 15 CYS C C 15 177.502 176.963 0.539 1
1 102 . 12 1 1 A 15 15 CYS CA C 15 59.594 59.395 0.199 1
1 103 . 12 1 1 A 15 15 CYS CB C 15 29.754 28.469 1.285 1
1 104 . 12 1 1 A 15 15 CYS N N 15 126.830 123.596 3.234 1
1 105 . 12 1 1 A 16 16 SER H H 16 9.383 9.077 0.306 1
1 106 . 12 1 1 A 16 16 SER HA H 16 4.287 4.434 -0.147 1
1 109 . 12 1 1 A 16 16 SER C C 16 174.508 173.797 0.711 1
1 110 . 12 1 1 A 16 16 SER CA C 16 60.955 59.620 1.335 1
1 111 . 12 1 1 A 16 16 SER CB C 16 63.100 62.846 0.254 1
1 112 . 12 1 1 A 16 16 SER N N 16 128.427 122.844 5.583 1
1 113 . 12 1 1 A 17 17 GLU H H 17 8.727 7.857 0.870 1
1 114 . 12 1 1 A 17 17 GLU HA H 17 4.258 4.380 -0.122 1
1 119 . 12 1 1 A 17 17 GLU C C 17 177.133 177.993 -0.860 1
1 120 . 12 1 1 A 17 17 GLU CA C 17 58.110 56.980 1.130 1
1 121 . 12 1 1 A 17 17 GLU CB C 17 29.738 30.743 -1.005 1
1 123 . 12 1 1 A 17 17 GLU N N 17 123.127 118.414 4.713 1
1 124 . 12 1 1 A 18 18 CYS H H 18 7.939 7.983 -0.044 1
1 125 . 12 1 1 A 18 18 CYS HA H 18 5.177 4.686 0.491 1
1 128 . 12 1 1 A 18 18 CYS C C 18 176.246 175.695 0.551 1
1 129 . 12 1 1 A 18 18 CYS CA C 18 58.259 59.235 -0.976 1
1 130 . 12 1 1 A 18 18 CYS CB C 18 32.602 30.368 2.234 1
1 131 . 12 1 1 A 18 18 CYS N N 18 114.781 114.719 0.062 1
1 132 . 12 1 1 A 19 19 GLY H H 19 8.186 8.098 0.088 1
1 133 . 12 1 1 A 19 19 GLY HA2 H 19 4.233 4.067 0.166 1
1 134 . 12 1 1 A 19 19 GLY HA3 H 19 3.870 4.079 -0.209 1
1 135 . 12 1 1 A 19 19 GLY C C 19 173.749 174.594 -0.845 1
1 136 . 12 1 1 A 19 19 GLY CA C 19 46.118 45.059 1.059 1
1 137 . 12 1 1 A 19 19 GLY N N 19 113.365 110.231 3.134 1
1 138 . 12 1 1 A 20 20 LYS H H 20 8.006 7.588 0.418 1
1 139 . 12 1 1 A 20 20 LYS HA H 20 3.923 4.163 -0.240 1
1 148 . 12 1 1 A 20 20 LYS C C 20 173.687 175.339 -1.652 1
1 149 . 12 1 1 A 20 20 LYS CA C 20 58.226 56.206 2.020 1
1 150 . 12 1 1 A 20 20 LYS CB C 20 33.596 33.195 0.401 1
1 154 . 12 1 1 A 20 20 LYS N N 20 123.138 122.573 0.565 1
1 155 . 12 1 1 A 21 21 ALA H H 21 7.748 7.916 -0.168 1
1 156 . 12 1 1 A 21 21 ALA HA H 21 5.177 5.649 -0.472 1
1 160 . 12 1 1 A 21 21 ALA C C 21 176.281 175.115 1.166 1
1 161 . 12 1 1 A 21 21 ALA CA C 21 50.328 50.100 0.228 1
1 162 . 12 1 1 A 21 21 ALA CB C 21 22.412 24.165 -1.753 1
1 163 . 12 1 1 A 21 21 ALA N N 21 123.859 124.598 -0.739 1
1 164 . 12 1 1 A 22 22 PHE H H 22 8.670 8.960 -0.290 1
1 165 . 12 1 1 A 22 22 PHE HA H 22 4.744 4.907 -0.163 1
1 173 . 12 1 1 A 22 22 PHE C C 22 175.220 175.672 -0.452 1
1 174 . 12 1 1 A 22 22 PHE CA C 22 57.170 56.405 0.765 1
1 175 . 12 1 1 A 22 22 PHE CB C 22 43.555 43.388 0.167 1
1 181 . 12 1 1 A 22 22 PHE N N 22 117.277 115.311 1.966 1
1 182 . 12 1 1 A 23 23 ILE H H 23 8.681 8.740 -0.059 1
1 183 . 12 1 1 A 23 23 ILE HA H 23 4.317 4.312 0.005 1
1 193 . 12 1 1 A 23 23 ILE C C 23 175.969 176.656 -0.687 1
1 194 . 12 1 1 A 23 23 ILE CA C 23 63.252 62.803 0.449 1
1 195 . 12 1 1 A 23 23 ILE CB C 23 38.840 38.726 0.114 1
1 199 . 12 1 1 A 23 23 ILE N N 23 119.186 121.571 -2.385 1
1 200 . 12 1 1 A 24 24 ARG H H 24 7.716 7.714 0.002 1
1 201 . 12 1 1 A 24 24 ARG HA H 24 4.794 4.608 0.186 1
1 208 . 12 1 1 A 24 24 ARG C C 24 176.531 175.528 1.003 1
1 209 . 12 1 1 A 24 24 ARG CA C 24 53.902 53.995 -0.093 1
1 210 . 12 1 1 A 24 24 ARG CB C 24 33.380 33.123 0.257 1
1 213 . 12 1 1 A 24 24 ARG N N 24 115.336 120.120 -4.784 1
1 214 . 12 1 1 A 25 25 ASN H H 25 8.492 8.156 0.336 1
1 215 . 12 1 1 A 25 25 ASN HA H 25 3.587 3.351 0.236 1
1 220 . 12 1 1 A 25 25 ASN C C 25 177.332 176.881 0.451 1
1 221 . 12 1 1 A 25 25 ASN CA C 25 56.127 56.502 -0.375 1
1 222 . 12 1 1 A 25 25 ASN CB C 25 38.325 38.353 -0.028 1
1 223 . 12 1 1 A 25 25 ASN N N 25 124.604 122.531 2.073 1
1 225 . 12 1 1 A 26 26 SER HA H 26 3.868 4.032 -0.164 1
1 228 . 12 1 1 A 26 26 SER C C 26 176.671 176.230 0.441 1
1 229 . 12 1 1 A 26 26 SER CA C 26 61.484 61.612 -0.128 1
1 230 . 12 1 1 A 26 26 SER CB C 26 59.671 63.065 -3.394 1
1 231 . 12 1 1 A 26 26 SER N N 26 116.000 115.796 0.204 1
1 232 . 12 1 1 A 27 27 GLN H H 27 6.676 7.703 -1.027 1
1 233 . 12 1 1 A 27 27 GLN HA H 27 3.939 3.999 -0.060 1
1 240 . 12 1 1 A 27 27 GLN C C 27 178.435 178.067 0.368 1
1 241 . 12 1 1 A 27 27 GLN CA C 27 57.514 58.807 -1.293 1
1 242 . 12 1 1 A 27 27 GLN CB C 27 28.989 28.291 0.698 1
1 244 . 12 1 1 A 27 27 GLN N N 27 119.416 121.192 -1.776 1
1 246 . 12 1 1 A 28 28 LEU H H 28 6.916 7.357 -0.441 1
1 247 . 12 1 1 A 28 28 LEU HA H 28 3.284 1.510 1.774 1
1 257 . 12 1 1 A 28 28 LEU C C 28 177.490 178.188 -0.698 1
1 258 . 12 1 1 A 28 28 LEU CA C 28 57.911 57.209 0.702 1
1 259 . 12 1 1 A 28 28 LEU CB C 28 40.185 41.202 -1.017 1
1 263 . 12 1 1 A 28 28 LEU N N 28 122.389 120.906 1.483 1
1 264 . 12 1 1 A 29 29 ILE H H 29 7.971 8.007 -0.036 1
1 265 . 12 1 1 A 29 29 ILE HA H 29 3.731 3.528 0.203 1
1 275 . 12 1 1 A 29 29 ILE C C 29 179.073 177.922 1.151 1
1 276 . 12 1 1 A 29 29 ILE CA C 29 64.438 65.351 -0.913 1
1 277 . 12 1 1 A 29 29 ILE CB C 29 37.464 37.660 -0.196 1
1 281 . 12 1 1 A 29 29 ILE N N 29 119.136 119.958 -0.822 1
1 282 . 12 1 1 A 30 30 VAL H H 30 7.101 7.619 -0.518 1
1 283 . 12 1 1 A 30 30 VAL HA H 30 3.510 3.661 -0.151 1
1 291 . 12 1 1 A 30 30 VAL C C 30 178.913 177.842 1.071 1
1 292 . 12 1 1 A 30 30 VAL CA C 30 66.454 66.254 0.200 1
1 293 . 12 1 1 A 30 30 VAL CB C 30 31.972 31.512 0.460 1
1 296 . 12 1 1 A 30 30 VAL N N 30 118.445 119.936 -1.491 1
1 297 . 12 1 1 A 31 31 HIS H H 31 7.640 7.967 -0.327 1
1 298 . 12 1 1 A 31 31 HIS HA H 31 4.227 4.298 -0.071 1
1 303 . 12 1 1 A 31 31 HIS C C 31 178.068 177.070 0.998 1
1 304 . 12 1 1 A 31 31 HIS CA C 31 59.324 58.673 0.651 1
1 305 . 12 1 1 A 31 31 HIS CB C 31 28.585 30.571 -1.986 1
1 308 . 12 1 1 A 31 31 HIS N N 31 119.473 118.935 0.538 1
1 309 . 12 1 1 A 32 32 GLN H H 32 9.000 7.922 1.078 1
1 310 . 12 1 1 A 32 32 GLN HA H 32 3.726 4.172 -0.446 1
1 317 . 12 1 1 A 32 32 GLN C C 32 178.082 178.395 -0.313 1
1 318 . 12 1 1 A 32 32 GLN CA C 32 59.828 57.742 2.086 1
1 319 . 12 1 1 A 32 32 GLN CB C 32 28.009 28.611 -0.602 1
1 321 . 12 1 1 A 32 32 GLN N N 32 120.303 118.352 1.951 1
1 323 . 12 1 1 A 33 33 ARG H H 33 7.300 8.204 -0.904 1
1 324 . 12 1 1 A 33 33 ARG HA H 33 4.192 4.058 0.134 1
1 331 . 12 1 1 A 33 33 ARG C C 33 178.428 179.399 -0.971 1
1 332 . 12 1 1 A 33 33 ARG CA C 33 58.472 59.359 -0.887 1
1 333 . 12 1 1 A 33 33 ARG CB C 33 29.899 30.101 -0.202 1
1 336 . 12 1 1 A 33 33 ARG N N 33 117.936 120.513 -2.577 1
1 337 . 12 1 1 A 34 34 THR H H 34 7.787 7.729 0.058 1
1 338 . 12 1 1 A 34 34 THR HA H 34 4.127 3.930 0.197 1
1 343 . 12 1 1 A 34 34 THR C C 34 175.625 176.822 -1.197 1
1 344 . 12 1 1 A 34 34 THR CA C 34 64.023 65.630 -1.607 1
1 345 . 12 1 1 A 34 34 THR CB C 34 69.314 68.197 1.117 1
1 347 . 12 1 1 A 34 34 THR N N 34 109.902 114.797 -4.895 1
1 348 . 12 1 1 A 35 35 HIS H H 35 7.100 7.727 -0.627 1
1 349 . 12 1 1 A 35 35 HIS HA H 35 4.859 4.243 0.616 1
1 354 . 12 1 1 A 35 35 HIS C C 35 175.369 175.699 -0.330 1
1 355 . 12 1 1 A 35 35 HIS CA C 35 55.421 59.381 -3.960 1
1 356 . 12 1 1 A 35 35 HIS CB C 35 28.730 29.966 -1.236 1
1 359 . 12 1 1 A 35 35 HIS N N 35 118.308 118.293 0.015 1
1 360 . 12 1 1 A 36 36 SER H H 36 7.832 7.966 -0.134 1
1 361 . 12 1 1 A 36 36 SER HA H 36 4.488 4.468 0.020 1
1 364 . 12 1 1 A 36 36 SER C C 36 175.116 175.117 -0.001 1
1 365 . 12 1 1 A 36 36 SER CA C 36 58.823 58.399 0.424 1
1 366 . 12 1 1 A 36 36 SER CB C 36 63.948 64.714 -0.766 1
1 367 . 12 1 1 A 36 36 SER N N 36 114.683 113.451 1.232 1
1 368 . 12 1 1 A 37 37 GLY H H 37 8.324 8.316 0.008 1
1 369 . 12 1 1 A 37 37 GLY HA2 H 37 4.012 3.971 0.041 1
1 370 . 12 1 1 A 37 37 GLY HA3 H 37 4.012 3.972 0.040 1
1 371 . 12 1 1 A 37 37 GLY C C 37 174.303 173.911 0.392 1
1 372 . 12 1 1 A 37 37 GLY CA C 37 45.417 45.442 -0.025 1
1 373 . 12 1 1 A 37 37 GLY N N 37 110.893 110.886 0.007 1
1 374 . 12 1 1 A 38 38 GLU H H 38 8.206 8.021 0.185 1
1 375 . 12 1 1 A 38 38 GLU HA H 38 4.331 4.600 -0.269 1
1 380 . 12 1 1 A 38 38 GLU C C 38 176.590 175.284 1.306 1
1 381 . 12 1 1 A 38 38 GLU CA C 38 56.589 55.130 1.459 1
1 382 . 12 1 1 A 38 38 GLU CB C 38 30.477 30.263 0.214 1
1 384 . 12 1 1 A 38 38 GLU N N 38 120.603 122.294 -1.691 1
1 385 . 12 1 1 A 39 39 SER H H 39 8.416 9.044 -0.628 1
1 386 . 12 1 1 A 39 39 SER HA H 39 4.490 4.893 -0.403 1
1 389 . 12 1 1 A 39 39 SER C C 39 174.575 173.739 0.836 1
1 390 . 12 1 1 A 39 39 SER CA C 39 58.289 57.184 1.105 1
1 391 . 12 1 1 A 39 39 SER CB C 39 63.935 64.051 -0.116 1
1 392 . 12 1 1 A 39 39 SER N N 39 116.772 123.071 -6.299 1
1 393 . 12 1 1 A 40 40 GLY H H 40 8.240 8.307 -0.067 1
1 394 . 12 1 1 A 40 40 GLY HA2 H 40 4.149 4.205 -0.056 1
1 395 . 12 1 1 A 40 40 GLY HA3 H 40 4.051 4.205 -0.154 1
1 396 . 12 1 1 A 40 40 GLY C C 40 171.726 173.821 -2.095 1
1 397 . 12 1 1 A 40 40 GLY CA C 40 44.662 45.673 -1.011 1
1 398 . 12 1 1 A 40 40 GLY N N 40 110.640 112.304 -1.664 1
1 399 . 12 1 1 A 41 41 PRO HA H 41 4.481 4.478 0.003 1
1 406 . 12 1 1 A 41 41 PRO C C 41 177.367 176.033 1.334 1
1 407 . 12 1 1 A 41 41 PRO CA C 41 63.234 64.681 -1.447 1
1 408 . 12 1 1 A 41 41 PRO CB C 41 32.193 32.067 0.126 1
1 411 . 12 1 1 A 42 42 SER H H 42 8.538 7.180 1.358 1
1 412 . 12 1 1 A 42 42 SER C C 42 174.673 173.052 1.621 1
1 413 . 12 1 1 A 42 42 SER CA C 42 58.495 56.914 1.581 1
1 414 . 12 1 1 A 42 42 SER CB C 42 64.033 65.487 -1.454 1
1 1 . 13 1 1 A 7 7 GLY HA2 H 7 3.984 4.044 -0.060 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 3.984 4.044 -0.060 1
1 3 . 13 1 1 A 7 7 GLY C C 7 174.243 173.072 1.171 1
1 4 . 13 1 1 A 7 7 GLY CA C 7 45.345 44.621 0.724 1
1 5 . 13 1 1 A 8 8 THR H H 8 8.056 8.011 0.045 1
1 6 . 13 1 1 A 8 8 THR HA H 8 4.351 4.861 -0.510 1
1 11 . 13 1 1 A 8 8 THR C C 8 174.506 172.805 1.701 1
1 12 . 13 1 1 A 8 8 THR CA C 8 61.679 61.427 0.252 1
1 13 . 13 1 1 A 8 8 THR CB C 8 70.039 71.113 -1.074 1
1 15 . 13 1 1 A 8 8 THR N N 8 114.027 115.487 -1.460 1
1 16 . 13 1 1 A 9 9 ARG H H 9 8.379 8.821 -0.442 1
1 17 . 13 1 1 A 9 9 ARG HA H 9 4.291 4.684 -0.393 1
1 24 . 13 1 1 A 9 9 ARG C C 9 176.137 176.608 -0.471 1
1 25 . 13 1 1 A 9 9 ARG CA C 9 56.291 55.118 1.173 1
1 26 . 13 1 1 A 9 9 ARG CB C 9 30.735 30.323 0.412 1
1 29 . 13 1 1 A 9 9 ARG N N 9 123.323 124.974 -1.651 1
1 30 . 13 1 1 A 10 10 GLU H H 10 8.420 8.156 0.264 1
1 31 . 13 1 1 A 10 10 GLU HA H 10 4.142 4.395 -0.253 1
1 36 . 13 1 1 A 10 10 GLU C C 10 176.102 175.150 0.952 1
1 37 . 13 1 1 A 10 10 GLU CA C 10 57.284 56.464 0.820 1
1 38 . 13 1 1 A 10 10 GLU CB C 10 30.289 30.145 0.144 1
1 40 . 13 1 1 A 10 10 GLU N N 10 121.984 120.324 1.660 1
1 41 . 13 1 1 A 11 11 LYS H H 11 8.035 7.321 0.714 1
1 42 . 13 1 1 A 11 11 LYS HA H 11 4.545 4.691 -0.146 1
1 51 . 13 1 1 A 11 11 LYS C C 11 173.979 175.738 -1.759 1
1 52 . 13 1 1 A 11 11 LYS CA C 11 53.589 52.545 1.044 1
1 53 . 13 1 1 A 11 11 LYS CB C 11 33.028 34.051 -1.023 1
1 57 . 13 1 1 A 11 11 LYS N N 11 120.453 119.549 0.904 1
1 58 . 13 1 1 A 12 12 PRO HA H 12 4.290 4.344 -0.054 1
1 65 . 13 1 1 A 12 12 PRO C C 12 176.186 176.007 0.179 1
1 66 . 13 1 1 A 12 12 PRO CA C 12 63.385 64.998 -1.613 1
1 67 . 13 1 1 A 12 12 PRO CB C 12 32.283 31.727 0.556 1
1 70 . 13 1 1 A 13 13 TYR H H 13 8.036 7.276 0.760 1
1 71 . 13 1 1 A 13 13 TYR HA H 13 4.568 4.735 -0.167 1
1 78 . 13 1 1 A 13 13 TYR C C 13 174.612 176.587 -1.975 1
1 79 . 13 1 1 A 13 13 TYR CA C 13 57.760 58.770 -1.010 1
1 80 . 13 1 1 A 13 13 TYR CB C 13 38.387 39.579 -1.192 1
1 85 . 13 1 1 A 13 13 TYR N N 13 118.849 118.280 0.569 1
1 86 . 13 1 1 A 14 14 GLU H H 14 8.552 9.197 -0.645 1
1 87 . 13 1 1 A 14 14 GLU HA H 14 4.923 5.516 -0.593 1
1 92 . 13 1 1 A 14 14 GLU C C 14 175.204 175.512 -0.308 1
1 93 . 13 1 1 A 14 14 GLU CA C 14 54.910 54.705 0.205 1
1 94 . 13 1 1 A 14 14 GLU CB C 14 33.000 33.569 -0.569 1
1 96 . 13 1 1 A 14 14 GLU N N 14 123.988 121.240 2.748 1
1 97 . 13 1 1 A 15 15 CYS H H 15 9.288 9.036 0.252 1
1 98 . 13 1 1 A 15 15 CYS HA H 15 4.591 4.579 0.012 1
1 101 . 13 1 1 A 15 15 CYS C C 15 177.502 176.255 1.247 1
1 102 . 13 1 1 A 15 15 CYS CA C 15 59.594 59.806 -0.212 1
1 103 . 13 1 1 A 15 15 CYS CB C 15 29.754 28.471 1.283 1
1 104 . 13 1 1 A 15 15 CYS N N 15 126.830 124.320 2.510 1
1 105 . 13 1 1 A 16 16 SER H H 16 9.383 9.174 0.209 1
1 106 . 13 1 1 A 16 16 SER HA H 16 4.287 4.506 -0.219 1
1 109 . 13 1 1 A 16 16 SER C C 16 174.508 175.410 -0.902 1
1 110 . 13 1 1 A 16 16 SER CA C 16 60.955 59.111 1.844 1
1 111 . 13 1 1 A 16 16 SER CB C 16 63.100 63.212 -0.112 1
1 112 . 13 1 1 A 16 16 SER N N 16 128.427 121.983 6.444 1
1 113 . 13 1 1 A 17 17 GLU H H 17 8.727 7.427 1.300 1
1 114 . 13 1 1 A 17 17 GLU HA H 17 4.258 4.277 -0.019 1
1 119 . 13 1 1 A 17 17 GLU C C 17 177.133 177.961 -0.828 1
1 120 . 13 1 1 A 17 17 GLU CA C 17 58.110 57.595 0.515 1
1 121 . 13 1 1 A 17 17 GLU CB C 17 29.738 30.242 -0.504 1
1 123 . 13 1 1 A 17 17 GLU N N 17 123.127 120.222 2.905 1
1 124 . 13 1 1 A 18 18 CYS H H 18 7.939 7.984 -0.045 1
1 125 . 13 1 1 A 18 18 CYS HA H 18 5.177 4.669 0.508 1
1 128 . 13 1 1 A 18 18 CYS C C 18 176.246 175.574 0.672 1
1 129 . 13 1 1 A 18 18 CYS CA C 18 58.259 59.475 -1.216 1
1 130 . 13 1 1 A 18 18 CYS CB C 18 32.602 29.959 2.643 1
1 131 . 13 1 1 A 18 18 CYS N N 18 114.781 114.517 0.264 1
1 132 . 13 1 1 A 19 19 GLY H H 19 8.186 8.051 0.135 1
1 133 . 13 1 1 A 19 19 GLY HA2 H 19 4.233 4.073 0.160 1
1 134 . 13 1 1 A 19 19 GLY HA3 H 19 3.870 4.085 -0.215 1
1 135 . 13 1 1 A 19 19 GLY C C 19 173.749 174.606 -0.857 1
1 136 . 13 1 1 A 19 19 GLY CA C 19 46.118 45.064 1.054 1
1 137 . 13 1 1 A 19 19 GLY N N 19 113.365 110.058 3.307 1
1 138 . 13 1 1 A 20 20 LYS H H 20 8.006 7.603 0.403 1
1 139 . 13 1 1 A 20 20 LYS HA H 20 3.923 4.195 -0.272 1
1 148 . 13 1 1 A 20 20 LYS C C 20 173.687 175.348 -1.661 1
1 149 . 13 1 1 A 20 20 LYS CA C 20 58.226 56.249 1.977 1
1 150 . 13 1 1 A 20 20 LYS CB C 20 33.596 33.239 0.357 1
1 154 . 13 1 1 A 20 20 LYS N N 20 123.138 122.573 0.565 1
1 155 . 13 1 1 A 21 21 ALA H H 21 7.748 7.998 -0.250 1
1 156 . 13 1 1 A 21 21 ALA HA H 21 5.177 5.773 -0.596 1
1 160 . 13 1 1 A 21 21 ALA C C 21 176.281 175.145 1.136 1
1 161 . 13 1 1 A 21 21 ALA CA C 21 50.328 50.314 0.014 1
1 162 . 13 1 1 A 21 21 ALA CB C 21 22.412 23.904 -1.492 1
1 163 . 13 1 1 A 21 21 ALA N N 21 123.859 124.451 -0.592 1
1 164 . 13 1 1 A 22 22 PHE H H 22 8.670 8.882 -0.212 1
1 165 . 13 1 1 A 22 22 PHE HA H 22 4.744 5.021 -0.277 1
1 173 . 13 1 1 A 22 22 PHE C C 22 175.220 175.553 -0.333 1
1 174 . 13 1 1 A 22 22 PHE CA C 22 57.170 56.600 0.570 1
1 175 . 13 1 1 A 22 22 PHE CB C 22 43.555 43.802 -0.247 1
1 181 . 13 1 1 A 22 22 PHE N N 22 117.277 115.779 1.498 1
1 182 . 13 1 1 A 23 23 ILE H H 23 8.681 8.646 0.035 1
1 183 . 13 1 1 A 23 23 ILE HA H 23 4.317 4.296 0.021 1
1 193 . 13 1 1 A 23 23 ILE C C 23 175.969 176.434 -0.465 1
1 194 . 13 1 1 A 23 23 ILE CA C 23 63.252 62.672 0.580 1
1 195 . 13 1 1 A 23 23 ILE CB C 23 38.840 38.640 0.200 1
1 199 . 13 1 1 A 23 23 ILE N N 23 119.186 120.488 -1.302 1
1 200 . 13 1 1 A 24 24 ARG H H 24 7.716 7.855 -0.139 1
1 201 . 13 1 1 A 24 24 ARG HA H 24 4.794 4.709 0.085 1
1 208 . 13 1 1 A 24 24 ARG C C 24 176.531 175.489 1.042 1
1 209 . 13 1 1 A 24 24 ARG CA C 24 53.902 54.064 -0.162 1
1 210 . 13 1 1 A 24 24 ARG CB C 24 33.380 32.938 0.442 1
1 213 . 13 1 1 A 24 24 ARG N N 24 115.336 120.719 -5.383 1
1 214 . 13 1 1 A 25 25 ASN H H 25 8.492 8.237 0.255 1
1 215 . 13 1 1 A 25 25 ASN HA H 25 3.587 3.092 0.495 1
1 220 . 13 1 1 A 25 25 ASN C C 25 177.332 176.849 0.483 1
1 221 . 13 1 1 A 25 25 ASN CA C 25 56.127 56.266 -0.139 1
1 222 . 13 1 1 A 25 25 ASN CB C 25 38.325 38.425 -0.100 1
1 223 . 13 1 1 A 25 25 ASN N N 25 124.604 122.403 2.201 1
1 225 . 13 1 1 A 26 26 SER HA H 26 3.868 4.042 -0.174 1
1 228 . 13 1 1 A 26 26 SER C C 26 176.671 176.388 0.283 1
1 229 . 13 1 1 A 26 26 SER CA C 26 61.484 61.663 -0.179 1
1 230 . 13 1 1 A 26 26 SER CB C 26 59.671 63.011 -3.340 1
1 231 . 13 1 1 A 26 26 SER N N 26 116.000 115.881 0.119 1
1 232 . 13 1 1 A 27 27 GLN H H 27 6.676 7.738 -1.062 1
1 233 . 13 1 1 A 27 27 GLN HA H 27 3.939 4.017 -0.078 1
1 240 . 13 1 1 A 27 27 GLN C C 27 178.435 178.199 0.236 1
1 241 . 13 1 1 A 27 27 GLN CA C 27 57.514 58.874 -1.360 1
1 242 . 13 1 1 A 27 27 GLN CB C 27 28.989 28.279 0.710 1
1 244 . 13 1 1 A 27 27 GLN N N 27 119.416 121.114 -1.698 1
1 246 . 13 1 1 A 28 28 LEU H H 28 6.916 7.467 -0.551 1
1 247 . 13 1 1 A 28 28 LEU HA H 28 3.284 2.053 1.231 1
1 257 . 13 1 1 A 28 28 LEU C C 28 177.490 178.399 -0.909 1
1 258 . 13 1 1 A 28 28 LEU CA C 28 57.911 57.245 0.666 1
1 259 . 13 1 1 A 28 28 LEU CB C 28 40.185 41.280 -1.095 1
1 263 . 13 1 1 A 28 28 LEU N N 28 122.389 120.304 2.085 1
1 264 . 13 1 1 A 29 29 ILE H H 29 7.971 7.923 0.048 1
1 265 . 13 1 1 A 29 29 ILE HA H 29 3.731 3.515 0.216 1
1 275 . 13 1 1 A 29 29 ILE C C 29 179.073 178.033 1.040 1
1 276 . 13 1 1 A 29 29 ILE CA C 29 64.438 65.318 -0.880 1
1 277 . 13 1 1 A 29 29 ILE CB C 29 37.464 37.614 -0.150 1
1 281 . 13 1 1 A 29 29 ILE N N 29 119.136 119.993 -0.857 1
1 282 . 13 1 1 A 30 30 VAL H H 30 7.101 7.694 -0.593 1
1 283 . 13 1 1 A 30 30 VAL HA H 30 3.510 3.698 -0.188 1
1 291 . 13 1 1 A 30 30 VAL C C 30 178.913 178.151 0.762 1
1 292 . 13 1 1 A 30 30 VAL CA C 30 66.454 66.215 0.239 1
1 293 . 13 1 1 A 30 30 VAL CB C 30 31.972 31.473 0.499 1
1 296 . 13 1 1 A 30 30 VAL N N 30 118.445 119.960 -1.515 1
1 297 . 13 1 1 A 31 31 HIS H H 31 7.640 7.930 -0.290 1
1 298 . 13 1 1 A 31 31 HIS HA H 31 4.227 4.289 -0.062 1
1 303 . 13 1 1 A 31 31 HIS C C 31 178.068 177.071 0.997 1
1 304 . 13 1 1 A 31 31 HIS CA C 31 59.324 58.691 0.633 1
1 305 . 13 1 1 A 31 31 HIS CB C 31 28.585 30.453 -1.868 1
1 308 . 13 1 1 A 31 31 HIS N N 31 119.473 119.065 0.408 1
1 309 . 13 1 1 A 32 32 GLN H H 32 9.000 7.790 1.210 1
1 310 . 13 1 1 A 32 32 GLN HA H 32 3.726 4.112 -0.386 1
1 317 . 13 1 1 A 32 32 GLN C C 32 178.082 178.409 -0.327 1
1 318 . 13 1 1 A 32 32 GLN CA C 32 59.828 58.169 1.659 1
1 319 . 13 1 1 A 32 32 GLN CB C 32 28.009 28.220 -0.211 1
1 321 . 13 1 1 A 32 32 GLN N N 32 120.303 118.350 1.953 1
1 323 . 13 1 1 A 33 33 ARG H H 33 7.300 7.966 -0.666 1
1 324 . 13 1 1 A 33 33 ARG HA H 33 4.192 3.993 0.199 1
1 331 . 13 1 1 A 33 33 ARG C C 33 178.428 179.263 -0.835 1
1 332 . 13 1 1 A 33 33 ARG CA C 33 58.472 59.291 -0.819 1
1 333 . 13 1 1 A 33 33 ARG CB C 33 29.899 29.849 0.050 1
1 336 . 13 1 1 A 33 33 ARG N N 33 117.936 121.099 -3.163 1
1 337 . 13 1 1 A 34 34 THR H H 34 7.787 7.721 0.066 1
1 338 . 13 1 1 A 34 34 THR HA H 34 4.127 3.946 0.181 1
1 343 . 13 1 1 A 34 34 THR C C 34 175.625 177.173 -1.548 1
1 344 . 13 1 1 A 34 34 THR CA C 34 64.023 65.417 -1.394 1
1 345 . 13 1 1 A 34 34 THR CB C 34 69.314 68.190 1.124 1
1 347 . 13 1 1 A 34 34 THR N N 34 109.902 114.096 -4.194 1
1 348 . 13 1 1 A 35 35 HIS H H 35 7.100 7.826 -0.726 1
1 349 . 13 1 1 A 35 35 HIS HA H 35 4.859 4.337 0.522 1
1 354 . 13 1 1 A 35 35 HIS C C 35 175.369 176.176 -0.807 1
1 355 . 13 1 1 A 35 35 HIS CA C 35 55.421 59.324 -3.903 1
1 356 . 13 1 1 A 35 35 HIS CB C 35 28.730 29.489 -0.759 1
1 359 . 13 1 1 A 35 35 HIS N N 35 118.308 118.673 -0.365 1
1 360 . 13 1 1 A 36 36 SER H H 36 7.832 8.298 -0.466 1
1 361 . 13 1 1 A 36 36 SER HA H 36 4.488 4.286 0.202 1
1 364 . 13 1 1 A 36 36 SER C C 36 175.116 174.648 0.468 1
1 365 . 13 1 1 A 36 36 SER CA C 36 58.823 57.929 0.894 1
1 366 . 13 1 1 A 36 36 SER CB C 36 63.948 62.725 1.223 1
1 367 . 13 1 1 A 36 36 SER N N 36 114.683 112.679 2.004 1
1 368 . 13 1 1 A 37 37 GLY H H 37 8.324 8.008 0.316 1
1 369 . 13 1 1 A 37 37 GLY HA2 H 37 4.012 3.966 0.046 1
1 370 . 13 1 1 A 37 37 GLY HA3 H 37 4.012 3.974 0.038 1
1 371 . 13 1 1 A 37 37 GLY C C 37 174.303 173.826 0.477 1
1 372 . 13 1 1 A 37 37 GLY CA C 37 45.417 46.075 -0.658 1
1 373 . 13 1 1 A 37 37 GLY N N 37 110.893 110.865 0.028 1
1 374 . 13 1 1 A 38 38 GLU H H 38 8.206 7.823 0.383 1
1 375 . 13 1 1 A 38 38 GLU HA H 38 4.331 4.915 -0.584 1
1 380 . 13 1 1 A 38 38 GLU C C 38 176.590 175.116 1.474 1
1 381 . 13 1 1 A 38 38 GLU CA C 38 56.589 55.017 1.572 1
1 382 . 13 1 1 A 38 38 GLU CB C 38 30.477 32.167 -1.690 1
1 384 . 13 1 1 A 38 38 GLU N N 38 120.603 119.085 1.518 1
1 385 . 13 1 1 A 39 39 SER H H 39 8.416 8.983 -0.567 1
1 386 . 13 1 1 A 39 39 SER HA H 39 4.490 5.075 -0.585 1
1 389 . 13 1 1 A 39 39 SER C C 39 174.575 173.554 1.021 1
1 390 . 13 1 1 A 39 39 SER CA C 39 58.289 56.465 1.824 1
1 391 . 13 1 1 A 39 39 SER CB C 39 63.935 65.749 -1.814 1
1 392 . 13 1 1 A 39 39 SER N N 39 116.772 119.222 -2.450 1
1 393 . 13 1 1 A 40 40 GLY H H 40 8.240 8.561 -0.321 1
1 394 . 13 1 1 A 40 40 GLY HA2 H 40 4.149 4.225 -0.076 1
1 395 . 13 1 1 A 40 40 GLY HA3 H 40 4.051 4.226 -0.175 1
1 396 . 13 1 1 A 40 40 GLY C C 40 171.726 174.309 -2.583 1
1 397 . 13 1 1 A 40 40 GLY CA C 40 44.662 45.622 -0.960 1
1 398 . 13 1 1 A 40 40 GLY N N 40 110.640 114.444 -3.804 1
1 399 . 13 1 1 A 41 41 PRO HA H 41 4.481 4.573 -0.092 1
1 406 . 13 1 1 A 41 41 PRO C C 41 177.367 176.298 1.069 1
1 407 . 13 1 1 A 41 41 PRO CA C 41 63.234 64.110 -0.876 1
1 408 . 13 1 1 A 41 41 PRO CB C 41 32.193 31.809 0.384 1
1 411 . 13 1 1 A 42 42 SER H H 42 8.538 8.095 0.443 1
1 412 . 13 1 1 A 42 42 SER C C 42 174.673 172.869 1.804 1
1 413 . 13 1 1 A 42 42 SER CA C 42 58.495 57.394 1.101 1
1 414 . 13 1 1 A 42 42 SER CB C 42 64.033 64.402 -0.369 1
1 1 . 14 1 1 A 7 7 GLY HA2 H 7 3.984 4.037 -0.053 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 3.984 4.039 -0.055 1
1 3 . 14 1 1 A 7 7 GLY C C 7 174.243 173.724 0.519 1
1 4 . 14 1 1 A 7 7 GLY CA C 7 45.345 44.836 0.509 1
1 5 . 14 1 1 A 8 8 THR H H 8 8.056 8.156 -0.100 1
1 6 . 14 1 1 A 8 8 THR HA H 8 4.351 4.146 0.205 1
1 11 . 14 1 1 A 8 8 THR C C 8 174.506 175.392 -0.886 1
1 12 . 14 1 1 A 8 8 THR CA C 8 61.679 63.998 -2.319 1
1 13 . 14 1 1 A 8 8 THR CB C 8 70.039 68.352 1.687 1
1 15 . 14 1 1 A 8 8 THR N N 8 114.027 117.135 -3.108 1
1 16 . 14 1 1 A 9 9 ARG H H 9 8.379 8.402 -0.023 1
1 17 . 14 1 1 A 9 9 ARG HA H 9 4.291 4.489 -0.198 1
1 24 . 14 1 1 A 9 9 ARG C C 9 176.137 176.867 -0.730 1
1 25 . 14 1 1 A 9 9 ARG CA C 9 56.291 55.733 0.558 1
1 26 . 14 1 1 A 9 9 ARG CB C 9 30.735 29.782 0.953 1
1 29 . 14 1 1 A 9 9 ARG N N 9 123.323 125.381 -2.058 1
1 30 . 14 1 1 A 10 10 GLU H H 10 8.420 8.174 0.246 1
1 31 . 14 1 1 A 10 10 GLU HA H 10 4.142 4.063 0.079 1
1 36 . 14 1 1 A 10 10 GLU C C 10 176.102 177.326 -1.224 1
1 37 . 14 1 1 A 10 10 GLU CA C 10 57.284 59.205 -1.921 1
1 38 . 14 1 1 A 10 10 GLU CB C 10 30.289 28.895 1.394 1
1 40 . 14 1 1 A 10 10 GLU N N 10 121.984 120.340 1.644 1
1 41 . 14 1 1 A 11 11 LYS H H 11 8.035 7.491 0.544 1
1 42 . 14 1 1 A 11 11 LYS HA H 11 4.545 4.421 0.124 1
1 51 . 14 1 1 A 11 11 LYS C C 11 173.979 176.657 -2.678 1
1 52 . 14 1 1 A 11 11 LYS CA C 11 53.589 55.141 -1.552 1
1 53 . 14 1 1 A 11 11 LYS CB C 11 33.028 31.867 1.161 1
1 57 . 14 1 1 A 11 11 LYS N N 11 120.453 121.699 -1.246 1
1 58 . 14 1 1 A 12 12 PRO HA H 12 4.290 4.337 -0.047 1
1 65 . 14 1 1 A 12 12 PRO C C 12 176.186 175.937 0.249 1
1 66 . 14 1 1 A 12 12 PRO CA C 12 63.385 65.079 -1.694 1
1 67 . 14 1 1 A 12 12 PRO CB C 12 32.283 31.679 0.604 1
1 70 . 14 1 1 A 13 13 TYR H H 13 8.036 7.418 0.618 1
1 71 . 14 1 1 A 13 13 TYR HA H 13 4.568 4.678 -0.110 1
1 78 . 14 1 1 A 13 13 TYR C C 13 174.612 176.621 -2.009 1
1 79 . 14 1 1 A 13 13 TYR CA C 13 57.760 58.391 -0.631 1
1 80 . 14 1 1 A 13 13 TYR CB C 13 38.387 40.001 -1.614 1
1 85 . 14 1 1 A 13 13 TYR N N 13 118.849 118.247 0.602 1
1 86 . 14 1 1 A 14 14 GLU H H 14 8.552 9.200 -0.648 1
1 87 . 14 1 1 A 14 14 GLU HA H 14 4.923 5.583 -0.660 1
1 92 . 14 1 1 A 14 14 GLU C C 14 175.204 175.357 -0.153 1
1 93 . 14 1 1 A 14 14 GLU CA C 14 54.910 54.278 0.632 1
1 94 . 14 1 1 A 14 14 GLU CB C 14 33.000 33.557 -0.557 1
1 96 . 14 1 1 A 14 14 GLU N N 14 123.988 121.509 2.479 1
1 97 . 14 1 1 A 15 15 CYS H H 15 9.288 9.011 0.277 1
1 98 . 14 1 1 A 15 15 CYS HA H 15 4.591 4.598 -0.007 1
1 101 . 14 1 1 A 15 15 CYS C C 15 177.502 176.100 1.402 1
1 102 . 14 1 1 A 15 15 CYS CA C 15 59.594 59.519 0.075 1
1 103 . 14 1 1 A 15 15 CYS CB C 15 29.754 28.597 1.157 1
1 104 . 14 1 1 A 15 15 CYS N N 15 126.830 123.610 3.220 1
1 105 . 14 1 1 A 16 16 SER H H 16 9.383 8.899 0.484 1
1 106 . 14 1 1 A 16 16 SER HA H 16 4.287 4.575 -0.288 1
1 109 . 14 1 1 A 16 16 SER C C 16 174.508 174.725 -0.217 1
1 110 . 14 1 1 A 16 16 SER CA C 16 60.955 58.855 2.100 1
1 111 . 14 1 1 A 16 16 SER CB C 16 63.100 63.130 -0.030 1
1 112 . 14 1 1 A 16 16 SER N N 16 128.427 122.686 5.741 1
1 113 . 14 1 1 A 17 17 GLU H H 17 8.727 7.842 0.885 1
1 114 . 14 1 1 A 17 17 GLU HA H 17 4.258 4.404 -0.146 1
1 119 . 14 1 1 A 17 17 GLU C C 17 177.133 177.988 -0.855 1
1 120 . 14 1 1 A 17 17 GLU CA C 17 58.110 56.922 1.188 1
1 121 . 14 1 1 A 17 17 GLU CB C 17 29.738 30.705 -0.967 1
1 123 . 14 1 1 A 17 17 GLU N N 17 123.127 119.126 4.001 1
1 124 . 14 1 1 A 18 18 CYS H H 18 7.939 7.950 -0.011 1
1 125 . 14 1 1 A 18 18 CYS HA H 18 5.177 4.688 0.489 1
1 128 . 14 1 1 A 18 18 CYS C C 18 176.246 175.711 0.535 1
1 129 . 14 1 1 A 18 18 CYS CA C 18 58.259 59.231 -0.972 1
1 130 . 14 1 1 A 18 18 CYS CB C 18 32.602 30.370 2.232 1
1 131 . 14 1 1 A 18 18 CYS N N 18 114.781 114.581 0.200 1
1 132 . 14 1 1 A 19 19 GLY H H 19 8.186 8.114 0.072 1
1 133 . 14 1 1 A 19 19 GLY HA2 H 19 4.233 4.047 0.186 1
1 134 . 14 1 1 A 19 19 GLY HA3 H 19 3.870 4.057 -0.187 1
1 135 . 14 1 1 A 19 19 GLY C C 19 173.749 174.666 -0.917 1
1 136 . 14 1 1 A 19 19 GLY CA C 19 46.118 45.058 1.060 1
1 137 . 14 1 1 A 19 19 GLY N N 19 113.365 110.250 3.115 1
1 138 . 14 1 1 A 20 20 LYS H H 20 8.006 7.555 0.451 1
1 139 . 14 1 1 A 20 20 LYS HA H 20 3.923 4.207 -0.284 1
1 148 . 14 1 1 A 20 20 LYS C C 20 173.687 175.347 -1.660 1
1 149 . 14 1 1 A 20 20 LYS CA C 20 58.226 56.154 2.072 1
1 150 . 14 1 1 A 20 20 LYS CB C 20 33.596 33.253 0.343 1
1 154 . 14 1 1 A 20 20 LYS N N 20 123.138 122.610 0.528 1
1 155 . 14 1 1 A 21 21 ALA H H 21 7.748 7.954 -0.206 1
1 156 . 14 1 1 A 21 21 ALA HA H 21 5.177 5.677 -0.500 1
1 160 . 14 1 1 A 21 21 ALA C C 21 176.281 175.160 1.121 1
1 161 . 14 1 1 A 21 21 ALA CA C 21 50.328 50.348 -0.020 1
1 162 . 14 1 1 A 21 21 ALA CB C 21 22.412 23.823 -1.411 1
1 163 . 14 1 1 A 21 21 ALA N N 21 123.859 124.488 -0.629 1
1 164 . 14 1 1 A 22 22 PHE H H 22 8.670 8.928 -0.258 1
1 165 . 14 1 1 A 22 22 PHE HA H 22 4.744 4.999 -0.255 1
1 173 . 14 1 1 A 22 22 PHE C C 22 175.220 175.732 -0.512 1
1 174 . 14 1 1 A 22 22 PHE CA C 22 57.170 56.571 0.599 1
1 175 . 14 1 1 A 22 22 PHE CB C 22 43.555 43.399 0.156 1
1 181 . 14 1 1 A 22 22 PHE N N 22 117.277 115.809 1.468 1
1 182 . 14 1 1 A 23 23 ILE H H 23 8.681 8.681 0.000 1
1 183 . 14 1 1 A 23 23 ILE HA H 23 4.317 4.266 0.051 1
1 193 . 14 1 1 A 23 23 ILE C C 23 175.969 176.617 -0.648 1
1 194 . 14 1 1 A 23 23 ILE CA C 23 63.252 62.948 0.304 1
1 195 . 14 1 1 A 23 23 ILE CB C 23 38.840 38.800 0.040 1
1 199 . 14 1 1 A 23 23 ILE N N 23 119.186 120.975 -1.789 1
1 200 . 14 1 1 A 24 24 ARG H H 24 7.716 7.861 -0.145 1
1 201 . 14 1 1 A 24 24 ARG HA H 24 4.794 4.677 0.117 1
1 208 . 14 1 1 A 24 24 ARG C C 24 176.531 175.546 0.985 1
1 209 . 14 1 1 A 24 24 ARG CA C 24 53.902 54.130 -0.228 1
1 210 . 14 1 1 A 24 24 ARG CB C 24 33.380 32.952 0.428 1
1 213 . 14 1 1 A 24 24 ARG N N 24 115.336 120.729 -5.393 1
1 214 . 14 1 1 A 25 25 ASN H H 25 8.492 8.106 0.386 1
1 215 . 14 1 1 A 25 25 ASN HA H 25 3.587 3.278 0.309 1
1 220 . 14 1 1 A 25 25 ASN C C 25 177.332 176.767 0.565 1
1 221 . 14 1 1 A 25 25 ASN CA C 25 56.127 56.433 -0.306 1
1 222 . 14 1 1 A 25 25 ASN CB C 25 38.325 38.382 -0.057 1
1 223 . 14 1 1 A 25 25 ASN N N 25 124.604 122.096 2.508 1
1 225 . 14 1 1 A 26 26 SER HA H 26 3.868 4.010 -0.142 1
1 228 . 14 1 1 A 26 26 SER C C 26 176.671 176.789 -0.118 1
1 229 . 14 1 1 A 26 26 SER CA C 26 61.484 61.100 0.384 1
1 230 . 14 1 1 A 26 26 SER CB C 26 59.671 62.867 -3.196 1
1 231 . 14 1 1 A 26 26 SER N N 26 116.000 113.698 2.302 1
1 232 . 14 1 1 A 27 27 GLN H H 27 6.676 7.645 -0.969 1
1 233 . 14 1 1 A 27 27 GLN HA H 27 3.939 3.972 -0.033 1
1 240 . 14 1 1 A 27 27 GLN C C 27 178.435 177.797 0.638 1
1 241 . 14 1 1 A 27 27 GLN CA C 27 57.514 58.762 -1.248 1
1 242 . 14 1 1 A 27 27 GLN CB C 27 28.989 28.527 0.462 1
1 244 . 14 1 1 A 27 27 GLN N N 27 119.416 121.552 -2.136 1
1 246 . 14 1 1 A 28 28 LEU H H 28 6.916 7.507 -0.591 1
1 247 . 14 1 1 A 28 28 LEU HA H 28 3.284 2.166 1.118 1
1 257 . 14 1 1 A 28 28 LEU C C 28 177.490 178.076 -0.586 1
1 258 . 14 1 1 A 28 28 LEU CA C 28 57.911 57.573 0.338 1
1 259 . 14 1 1 A 28 28 LEU CB C 28 40.185 41.215 -1.030 1
1 263 . 14 1 1 A 28 28 LEU N N 28 122.389 121.016 1.373 1
1 264 . 14 1 1 A 29 29 ILE H H 29 7.971 7.898 0.073 1
1 265 . 14 1 1 A 29 29 ILE HA H 29 3.731 3.537 0.194 1
1 275 . 14 1 1 A 29 29 ILE C C 29 179.073 177.918 1.155 1
1 276 . 14 1 1 A 29 29 ILE CA C 29 64.438 65.370 -0.932 1
1 277 . 14 1 1 A 29 29 ILE CB C 29 37.464 37.546 -0.082 1
1 281 . 14 1 1 A 29 29 ILE N N 29 119.136 119.874 -0.738 1
1 282 . 14 1 1 A 30 30 VAL H H 30 7.101 7.507 -0.406 1
1 283 . 14 1 1 A 30 30 VAL HA H 30 3.510 3.683 -0.173 1
1 291 . 14 1 1 A 30 30 VAL C C 30 178.913 177.777 1.136 1
1 292 . 14 1 1 A 30 30 VAL CA C 30 66.454 66.210 0.244 1
1 293 . 14 1 1 A 30 30 VAL CB C 30 31.972 31.567 0.405 1
1 296 . 14 1 1 A 30 30 VAL N N 30 118.445 119.893 -1.448 1
1 297 . 14 1 1 A 31 31 HIS H H 31 7.640 7.926 -0.286 1
1 298 . 14 1 1 A 31 31 HIS HA H 31 4.227 4.280 -0.053 1
1 303 . 14 1 1 A 31 31 HIS C C 31 178.068 177.041 1.027 1
1 304 . 14 1 1 A 31 31 HIS CA C 31 59.324 58.356 0.968 1
1 305 . 14 1 1 A 31 31 HIS CB C 31 28.585 30.470 -1.885 1
1 308 . 14 1 1 A 31 31 HIS N N 31 119.473 119.529 -0.056 1
1 309 . 14 1 1 A 32 32 GLN H H 32 9.000 8.011 0.989 1
1 310 . 14 1 1 A 32 32 GLN HA H 32 3.726 4.179 -0.453 1
1 317 . 14 1 1 A 32 32 GLN C C 32 178.082 178.469 -0.387 1
1 318 . 14 1 1 A 32 32 GLN CA C 32 59.828 57.826 2.002 1
1 319 . 14 1 1 A 32 32 GLN CB C 32 28.009 28.337 -0.328 1
1 321 . 14 1 1 A 32 32 GLN N N 32 120.303 118.328 1.975 1
1 323 . 14 1 1 A 33 33 ARG H H 33 7.300 8.148 -0.848 1
1 324 . 14 1 1 A 33 33 ARG HA H 33 4.192 4.067 0.125 1
1 331 . 14 1 1 A 33 33 ARG C C 33 178.428 179.185 -0.757 1
1 332 . 14 1 1 A 33 33 ARG CA C 33 58.472 59.428 -0.956 1
1 333 . 14 1 1 A 33 33 ARG CB C 33 29.899 30.021 -0.122 1
1 336 . 14 1 1 A 33 33 ARG N N 33 117.936 120.729 -2.793 1
1 337 . 14 1 1 A 34 34 THR H H 34 7.787 7.702 0.085 1
1 338 . 14 1 1 A 34 34 THR HA H 34 4.127 3.938 0.189 1
1 343 . 14 1 1 A 34 34 THR C C 34 175.625 177.069 -1.444 1
1 344 . 14 1 1 A 34 34 THR CA C 34 64.023 65.689 -1.666 1
1 345 . 14 1 1 A 34 34 THR CB C 34 69.314 68.065 1.249 1
1 347 . 14 1 1 A 34 34 THR N N 34 109.902 114.794 -4.892 1
1 348 . 14 1 1 A 35 35 HIS H H 35 7.100 7.787 -0.687 1
1 349 . 14 1 1 A 35 35 HIS HA H 35 4.859 4.322 0.537 1
1 354 . 14 1 1 A 35 35 HIS C C 35 175.369 176.394 -1.025 1
1 355 . 14 1 1 A 35 35 HIS CA C 35 55.421 59.223 -3.802 1
1 356 . 14 1 1 A 35 35 HIS CB C 35 28.730 29.826 -1.096 1
1 359 . 14 1 1 A 35 35 HIS N N 35 118.308 118.460 -0.152 1
1 360 . 14 1 1 A 36 36 SER H H 36 7.832 7.860 -0.028 1
1 361 . 14 1 1 A 36 36 SER HA H 36 4.488 4.398 0.090 1
1 364 . 14 1 1 A 36 36 SER C C 36 175.116 174.032 1.084 1
1 365 . 14 1 1 A 36 36 SER CA C 36 58.823 57.389 1.434 1
1 366 . 14 1 1 A 36 36 SER CB C 36 63.948 62.522 1.426 1
1 367 . 14 1 1 A 36 36 SER N N 36 114.683 112.707 1.976 1
1 368 . 14 1 1 A 37 37 GLY H H 37 8.324 7.741 0.583 1
1 369 . 14 1 1 A 37 37 GLY HA2 H 37 4.012 4.159 -0.147 1
1 370 . 14 1 1 A 37 37 GLY HA3 H 37 4.012 4.163 -0.151 1
1 371 . 14 1 1 A 37 37 GLY C C 37 174.303 172.534 1.769 1
1 372 . 14 1 1 A 37 37 GLY CA C 37 45.417 44.784 0.633 1
1 373 . 14 1 1 A 37 37 GLY N N 37 110.893 114.079 -3.186 1
1 374 . 14 1 1 A 38 38 GLU H H 38 8.206 8.605 -0.399 1
1 375 . 14 1 1 A 38 38 GLU HA H 38 4.331 4.985 -0.654 1
1 380 . 14 1 1 A 38 38 GLU C C 38 176.590 175.588 1.002 1
1 381 . 14 1 1 A 38 38 GLU CA C 38 56.589 54.928 1.661 1
1 382 . 14 1 1 A 38 38 GLU CB C 38 30.477 33.113 -2.636 1
1 384 . 14 1 1 A 38 38 GLU N N 38 120.603 125.310 -4.707 1
1 385 . 14 1 1 A 39 39 SER H H 39 8.416 9.060 -0.644 1
1 386 . 14 1 1 A 39 39 SER HA H 39 4.490 4.566 -0.076 1
1 389 . 14 1 1 A 39 39 SER C C 39 174.575 174.673 -0.098 1
1 390 . 14 1 1 A 39 39 SER CA C 39 58.289 57.729 0.560 1
1 391 . 14 1 1 A 39 39 SER CB C 39 63.935 62.259 1.676 1
1 392 . 14 1 1 A 39 39 SER N N 39 116.772 120.750 -3.978 1
1 393 . 14 1 1 A 40 40 GLY H H 40 8.240 8.988 -0.748 1
1 394 . 14 1 1 A 40 40 GLY HA2 H 40 4.149 3.774 0.375 1
1 395 . 14 1 1 A 40 40 GLY HA3 H 40 4.051 3.776 0.275 1
1 396 . 14 1 1 A 40 40 GLY C C 40 171.726 174.736 -3.010 1
1 397 . 14 1 1 A 40 40 GLY CA C 40 44.662 47.355 -2.693 1
1 398 . 14 1 1 A 40 40 GLY N N 40 110.640 110.772 -0.132 1
1 399 . 14 1 1 A 41 41 PRO HA H 41 4.481 4.474 0.007 1
1 406 . 14 1 1 A 41 41 PRO C C 41 177.367 176.888 0.479 1
1 407 . 14 1 1 A 41 41 PRO CA C 41 63.234 62.421 0.813 1
1 408 . 14 1 1 A 41 41 PRO CB C 41 32.193 32.830 -0.637 1
1 411 . 14 1 1 A 42 42 SER H H 42 8.538 8.391 0.147 1
1 412 . 14 1 1 A 42 42 SER C C 42 174.673 175.095 -0.422 1
1 413 . 14 1 1 A 42 42 SER CA C 42 58.495 59.053 -0.558 1
1 414 . 14 1 1 A 42 42 SER CB C 42 64.033 63.149 0.884 1
1 1 . 15 1 1 A 7 7 GLY HA2 H 7 3.984 3.999 -0.015 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 3.984 3.999 -0.015 1
1 3 . 15 1 1 A 7 7 GLY C C 7 174.243 175.878 -1.635 1
1 4 . 15 1 1 A 7 7 GLY CA C 7 45.345 45.452 -0.107 1
1 5 . 15 1 1 A 8 8 THR H H 8 8.056 8.267 -0.211 1
1 6 . 15 1 1 A 8 8 THR HA H 8 4.351 3.896 0.455 1
1 11 . 15 1 1 A 8 8 THR C C 8 174.506 175.191 -0.685 1
1 12 . 15 1 1 A 8 8 THR CA C 8 61.679 66.352 -4.673 1
1 13 . 15 1 1 A 8 8 THR CB C 8 70.039 68.617 1.422 1
1 15 . 15 1 1 A 8 8 THR N N 8 114.027 116.147 -2.120 1
1 16 . 15 1 1 A 9 9 ARG H H 9 8.379 7.780 0.599 1
1 17 . 15 1 1 A 9 9 ARG HA H 9 4.291 4.209 0.082 1
1 24 . 15 1 1 A 9 9 ARG C C 9 176.137 176.067 0.070 1
1 25 . 15 1 1 A 9 9 ARG CA C 9 56.291 56.835 -0.544 1
1 26 . 15 1 1 A 9 9 ARG CB C 9 30.735 30.792 -0.057 1
1 29 . 15 1 1 A 9 9 ARG N N 9 123.323 120.732 2.591 1
1 30 . 15 1 1 A 10 10 GLU H H 10 8.420 8.707 -0.287 1
1 31 . 15 1 1 A 10 10 GLU HA H 10 4.142 4.404 -0.262 1
1 36 . 15 1 1 A 10 10 GLU C C 10 176.102 177.139 -1.037 1
1 37 . 15 1 1 A 10 10 GLU CA C 10 57.284 57.491 -0.207 1
1 38 . 15 1 1 A 10 10 GLU CB C 10 30.289 30.453 -0.164 1
1 40 . 15 1 1 A 10 10 GLU N N 10 121.984 124.824 -2.840 1
1 41 . 15 1 1 A 11 11 LYS H H 11 8.035 7.589 0.446 1
1 42 . 15 1 1 A 11 11 LYS HA H 11 4.545 4.417 0.128 1
1 51 . 15 1 1 A 11 11 LYS C C 11 173.979 176.807 -2.828 1
1 52 . 15 1 1 A 11 11 LYS CA C 11 53.589 55.311 -1.722 1
1 53 . 15 1 1 A 11 11 LYS CB C 11 33.028 31.982 1.046 1
1 57 . 15 1 1 A 11 11 LYS N N 11 120.453 119.291 1.162 1
1 58 . 15 1 1 A 12 12 PRO HA H 12 4.290 4.359 -0.069 1
1 65 . 15 1 1 A 12 12 PRO C C 12 176.186 175.960 0.226 1
1 66 . 15 1 1 A 12 12 PRO CA C 12 63.385 65.067 -1.682 1
1 67 . 15 1 1 A 12 12 PRO CB C 12 32.283 31.631 0.652 1
1 70 . 15 1 1 A 13 13 TYR H H 13 8.036 7.701 0.335 1
1 71 . 15 1 1 A 13 13 TYR HA H 13 4.568 4.715 -0.147 1
1 78 . 15 1 1 A 13 13 TYR C C 13 174.612 176.524 -1.912 1
1 79 . 15 1 1 A 13 13 TYR CA C 13 57.760 58.641 -0.881 1
1 80 . 15 1 1 A 13 13 TYR CB C 13 38.387 39.711 -1.324 1
1 85 . 15 1 1 A 13 13 TYR N N 13 118.849 118.262 0.587 1
1 86 . 15 1 1 A 14 14 GLU H H 14 8.552 9.280 -0.728 1
1 87 . 15 1 1 A 14 14 GLU HA H 14 4.923 5.553 -0.630 1
1 92 . 15 1 1 A 14 14 GLU C C 14 175.204 175.359 -0.155 1
1 93 . 15 1 1 A 14 14 GLU CA C 14 54.910 54.243 0.667 1
1 94 . 15 1 1 A 14 14 GLU CB C 14 33.000 33.454 -0.454 1
1 96 . 15 1 1 A 14 14 GLU N N 14 123.988 121.501 2.487 1
1 97 . 15 1 1 A 15 15 CYS H H 15 9.288 8.960 0.328 1
1 98 . 15 1 1 A 15 15 CYS HA H 15 4.591 4.613 -0.022 1
1 101 . 15 1 1 A 15 15 CYS C C 15 177.502 176.943 0.559 1
1 102 . 15 1 1 A 15 15 CYS CA C 15 59.594 59.535 0.059 1
1 103 . 15 1 1 A 15 15 CYS CB C 15 29.754 28.620 1.134 1
1 104 . 15 1 1 A 15 15 CYS N N 15 126.830 123.413 3.417 1
1 105 . 15 1 1 A 16 16 SER H H 16 9.383 9.126 0.257 1
1 106 . 15 1 1 A 16 16 SER HA H 16 4.287 4.416 -0.129 1
1 109 . 15 1 1 A 16 16 SER C C 16 174.508 173.899 0.609 1
1 110 . 15 1 1 A 16 16 SER CA C 16 60.955 59.762 1.193 1
1 111 . 15 1 1 A 16 16 SER CB C 16 63.100 63.125 -0.025 1
1 112 . 15 1 1 A 16 16 SER N N 16 128.427 123.097 5.330 1
1 113 . 15 1 1 A 17 17 GLU H H 17 8.727 7.915 0.812 1
1 114 . 15 1 1 A 17 17 GLU HA H 17 4.258 4.353 -0.095 1
1 119 . 15 1 1 A 17 17 GLU C C 17 177.133 178.001 -0.868 1
1 120 . 15 1 1 A 17 17 GLU CA C 17 58.110 57.069 1.041 1
1 121 . 15 1 1 A 17 17 GLU CB C 17 29.738 30.661 -0.923 1
1 123 . 15 1 1 A 17 17 GLU N N 17 123.127 118.502 4.625 1
1 124 . 15 1 1 A 18 18 CYS H H 18 7.939 7.948 -0.009 1
1 125 . 15 1 1 A 18 18 CYS HA H 18 5.177 4.716 0.461 1
1 128 . 15 1 1 A 18 18 CYS C C 18 176.246 175.770 0.476 1
1 129 . 15 1 1 A 18 18 CYS CA C 18 58.259 59.238 -0.979 1
1 130 . 15 1 1 A 18 18 CYS CB C 18 32.602 30.460 2.142 1
1 131 . 15 1 1 A 18 18 CYS N N 18 114.781 114.676 0.105 1
1 132 . 15 1 1 A 19 19 GLY H H 19 8.186 8.118 0.068 1
1 133 . 15 1 1 A 19 19 GLY HA2 H 19 4.233 4.062 0.171 1
1 134 . 15 1 1 A 19 19 GLY HA3 H 19 3.870 4.073 -0.203 1
1 135 . 15 1 1 A 19 19 GLY C C 19 173.749 174.610 -0.861 1
1 136 . 15 1 1 A 19 19 GLY CA C 19 46.118 45.039 1.079 1
1 137 . 15 1 1 A 19 19 GLY N N 19 113.365 110.086 3.279 1
1 138 . 15 1 1 A 20 20 LYS H H 20 8.006 7.561 0.445 1
1 139 . 15 1 1 A 20 20 LYS HA H 20 3.923 4.182 -0.259 1
1 148 . 15 1 1 A 20 20 LYS C C 20 173.687 175.386 -1.699 1
1 149 . 15 1 1 A 20 20 LYS CA C 20 58.226 56.180 2.046 1
1 150 . 15 1 1 A 20 20 LYS CB C 20 33.596 33.272 0.324 1
1 154 . 15 1 1 A 20 20 LYS N N 20 123.138 122.606 0.532 1
1 155 . 15 1 1 A 21 21 ALA H H 21 7.748 8.102 -0.354 1
1 156 . 15 1 1 A 21 21 ALA HA H 21 5.177 5.618 -0.441 1
1 160 . 15 1 1 A 21 21 ALA C C 21 176.281 175.117 1.164 1
1 161 . 15 1 1 A 21 21 ALA CA C 21 50.328 50.536 -0.208 1
1 162 . 15 1 1 A 21 21 ALA CB C 21 22.412 23.601 -1.189 1
1 163 . 15 1 1 A 21 21 ALA N N 21 123.859 124.560 -0.701 1
1 164 . 15 1 1 A 22 22 PHE H H 22 8.670 8.993 -0.323 1
1 165 . 15 1 1 A 22 22 PHE HA H 22 4.744 5.035 -0.291 1
1 173 . 15 1 1 A 22 22 PHE C C 22 175.220 175.482 -0.262 1
1 174 . 15 1 1 A 22 22 PHE CA C 22 57.170 56.626 0.544 1
1 175 . 15 1 1 A 22 22 PHE CB C 22 43.555 43.883 -0.328 1
1 181 . 15 1 1 A 22 22 PHE N N 22 117.277 116.236 1.041 1
1 182 . 15 1 1 A 23 23 ILE H H 23 8.681 8.715 -0.034 1
1 183 . 15 1 1 A 23 23 ILE HA H 23 4.317 4.304 0.013 1
1 193 . 15 1 1 A 23 23 ILE C C 23 175.969 176.218 -0.249 1
1 194 . 15 1 1 A 23 23 ILE CA C 23 63.252 62.523 0.729 1
1 195 . 15 1 1 A 23 23 ILE CB C 23 38.840 38.571 0.269 1
1 199 . 15 1 1 A 23 23 ILE N N 23 119.186 120.436 -1.250 1
1 200 . 15 1 1 A 24 24 ARG H H 24 7.716 7.753 -0.037 1
1 201 . 15 1 1 A 24 24 ARG HA H 24 4.794 4.685 0.109 1
1 208 . 15 1 1 A 24 24 ARG C C 24 176.531 175.549 0.982 1
1 209 . 15 1 1 A 24 24 ARG CA C 24 53.902 54.091 -0.189 1
1 210 . 15 1 1 A 24 24 ARG CB C 24 33.380 32.822 0.558 1
1 213 . 15 1 1 A 24 24 ARG N N 24 115.336 120.607 -5.271 1
1 214 . 15 1 1 A 25 25 ASN H H 25 8.492 8.285 0.207 1
1 215 . 15 1 1 A 25 25 ASN HA H 25 3.587 3.122 0.465 1
1 220 . 15 1 1 A 25 25 ASN C C 25 177.332 176.861 0.471 1
1 221 . 15 1 1 A 25 25 ASN CA C 25 56.127 56.369 -0.242 1
1 222 . 15 1 1 A 25 25 ASN CB C 25 38.325 38.359 -0.034 1
1 223 . 15 1 1 A 25 25 ASN N N 25 124.604 122.602 2.002 1
1 225 . 15 1 1 A 26 26 SER HA H 26 3.868 4.044 -0.176 1
1 228 . 15 1 1 A 26 26 SER C C 26 176.671 176.361 0.310 1
1 229 . 15 1 1 A 26 26 SER CA C 26 61.484 61.564 -0.080 1
1 230 . 15 1 1 A 26 26 SER CB C 26 59.671 63.049 -3.378 1
1 231 . 15 1 1 A 26 26 SER N N 26 116.000 115.883 0.117 1
1 232 . 15 1 1 A 27 27 GLN H H 27 6.676 7.817 -1.141 1
1 233 . 15 1 1 A 27 27 GLN HA H 27 3.939 3.962 -0.023 1
1 240 . 15 1 1 A 27 27 GLN C C 27 178.435 178.035 0.400 1
1 241 . 15 1 1 A 27 27 GLN CA C 27 57.514 58.748 -1.234 1
1 242 . 15 1 1 A 27 27 GLN CB C 27 28.989 28.266 0.723 1
1 244 . 15 1 1 A 27 27 GLN N N 27 119.416 121.085 -1.669 1
1 246 . 15 1 1 A 28 28 LEU H H 28 6.916 7.411 -0.495 1
1 247 . 15 1 1 A 28 28 LEU HA H 28 3.284 2.437 0.847 1
1 257 . 15 1 1 A 28 28 LEU C C 28 177.490 178.535 -1.045 1
1 258 . 15 1 1 A 28 28 LEU CA C 28 57.911 57.480 0.431 1
1 259 . 15 1 1 A 28 28 LEU CB C 28 40.185 41.496 -1.311 1
1 263 . 15 1 1 A 28 28 LEU N N 28 122.389 120.791 1.598 1
1 264 . 15 1 1 A 29 29 ILE H H 29 7.971 7.919 0.052 1
1 265 . 15 1 1 A 29 29 ILE HA H 29 3.731 3.552 0.179 1
1 275 . 15 1 1 A 29 29 ILE C C 29 179.073 178.114 0.959 1
1 276 . 15 1 1 A 29 29 ILE CA C 29 64.438 65.322 -0.884 1
1 277 . 15 1 1 A 29 29 ILE CB C 29 37.464 37.613 -0.149 1
1 281 . 15 1 1 A 29 29 ILE N N 29 119.136 120.082 -0.946 1
1 282 . 15 1 1 A 30 30 VAL H H 30 7.101 7.641 -0.540 1
1 283 . 15 1 1 A 30 30 VAL HA H 30 3.510 3.631 -0.121 1
1 291 . 15 1 1 A 30 30 VAL C C 30 178.913 178.233 0.680 1
1 292 . 15 1 1 A 30 30 VAL CA C 30 66.454 66.299 0.155 1
1 293 . 15 1 1 A 30 30 VAL CB C 30 31.972 31.489 0.483 1
1 296 . 15 1 1 A 30 30 VAL N N 30 118.445 119.930 -1.485 1
1 297 . 15 1 1 A 31 31 HIS H H 31 7.640 8.026 -0.386 1
1 298 . 15 1 1 A 31 31 HIS HA H 31 4.227 4.227 0.000 1
1 303 . 15 1 1 A 31 31 HIS C C 31 178.068 177.031 1.037 1
1 304 . 15 1 1 A 31 31 HIS CA C 31 59.324 58.943 0.381 1
1 305 . 15 1 1 A 31 31 HIS CB C 31 28.585 30.211 -1.626 1
1 308 . 15 1 1 A 31 31 HIS N N 31 119.473 119.047 0.426 1
1 309 . 15 1 1 A 32 32 GLN H H 32 9.000 7.700 1.300 1
1 310 . 15 1 1 A 32 32 GLN HA H 32 3.726 4.117 -0.391 1
1 317 . 15 1 1 A 32 32 GLN C C 32 178.082 178.546 -0.464 1
1 318 . 15 1 1 A 32 32 GLN CA C 32 59.828 57.822 2.006 1
1 319 . 15 1 1 A 32 32 GLN CB C 32 28.009 28.568 -0.559 1
1 321 . 15 1 1 A 32 32 GLN N N 32 120.303 118.696 1.607 1
1 323 . 15 1 1 A 33 33 ARG H H 33 7.300 7.600 -0.300 1
1 324 . 15 1 1 A 33 33 ARG HA H 33 4.192 4.046 0.146 1
1 331 . 15 1 1 A 33 33 ARG C C 33 178.428 179.363 -0.935 1
1 332 . 15 1 1 A 33 33 ARG CA C 33 58.472 59.081 -0.609 1
1 333 . 15 1 1 A 33 33 ARG CB C 33 29.899 30.116 -0.217 1
1 336 . 15 1 1 A 33 33 ARG N N 33 117.936 120.027 -2.091 1
1 337 . 15 1 1 A 34 34 THR H H 34 7.787 7.751 0.036 1
1 338 . 15 1 1 A 34 34 THR HA H 34 4.127 3.875 0.252 1
1 343 . 15 1 1 A 34 34 THR C C 34 175.625 176.581 -0.956 1
1 344 . 15 1 1 A 34 34 THR CA C 34 64.023 65.619 -1.596 1
1 345 . 15 1 1 A 34 34 THR CB C 34 69.314 68.384 0.930 1
1 347 . 15 1 1 A 34 34 THR N N 34 109.902 114.924 -5.022 1
1 348 . 15 1 1 A 35 35 HIS H H 35 7.100 7.695 -0.595 1
1 349 . 15 1 1 A 35 35 HIS HA H 35 4.859 4.199 0.660 1
1 354 . 15 1 1 A 35 35 HIS C C 35 175.369 175.815 -0.446 1
1 355 . 15 1 1 A 35 35 HIS CA C 35 55.421 59.492 -4.071 1
1 356 . 15 1 1 A 35 35 HIS CB C 35 28.730 30.488 -1.758 1
1 359 . 15 1 1 A 35 35 HIS N N 35 118.308 118.129 0.179 1
1 360 . 15 1 1 A 36 36 SER H H 36 7.832 7.682 0.150 1
1 361 . 15 1 1 A 36 36 SER HA H 36 4.488 4.252 0.236 1
1 364 . 15 1 1 A 36 36 SER C C 36 175.116 174.748 0.368 1
1 365 . 15 1 1 A 36 36 SER CA C 36 58.823 59.511 -0.688 1
1 366 . 15 1 1 A 36 36 SER CB C 36 63.948 64.213 -0.265 1
1 367 . 15 1 1 A 36 36 SER N N 36 114.683 113.958 0.725 1
1 368 . 15 1 1 A 37 37 GLY H H 37 8.324 8.488 -0.164 1
1 369 . 15 1 1 A 37 37 GLY HA2 H 37 4.012 4.110 -0.098 1
1 370 . 15 1 1 A 37 37 GLY HA3 H 37 4.012 4.111 -0.099 1
1 371 . 15 1 1 A 37 37 GLY C C 37 174.303 174.662 -0.359 1
1 372 . 15 1 1 A 37 37 GLY CA C 37 45.417 44.224 1.193 1
1 373 . 15 1 1 A 37 37 GLY N N 37 110.893 110.177 0.716 1
1 374 . 15 1 1 A 38 38 GLU H H 38 8.206 8.884 -0.678 1
1 375 . 15 1 1 A 38 38 GLU HA H 38 4.331 4.136 0.195 1
1 380 . 15 1 1 A 38 38 GLU C C 38 176.590 176.116 0.474 1
1 381 . 15 1 1 A 38 38 GLU CA C 38 56.589 58.620 -2.031 1
1 382 . 15 1 1 A 38 38 GLU CB C 38 30.477 30.166 0.311 1
1 384 . 15 1 1 A 38 38 GLU N N 38 120.603 125.455 -4.852 1
1 385 . 15 1 1 A 39 39 SER H H 39 8.416 8.121 0.295 1
1 386 . 15 1 1 A 39 39 SER HA H 39 4.490 4.824 -0.334 1
1 389 . 15 1 1 A 39 39 SER C C 39 174.575 173.805 0.770 1
1 390 . 15 1 1 A 39 39 SER CA C 39 58.289 56.461 1.828 1
1 391 . 15 1 1 A 39 39 SER CB C 39 63.935 65.248 -1.313 1
1 392 . 15 1 1 A 39 39 SER N N 39 116.772 110.775 5.997 1
1 393 . 15 1 1 A 40 40 GLY H H 40 8.240 8.475 -0.235 1
1 394 . 15 1 1 A 40 40 GLY HA2 H 40 4.149 4.095 0.054 1
1 395 . 15 1 1 A 40 40 GLY HA3 H 40 4.051 4.102 -0.051 1
1 396 . 15 1 1 A 40 40 GLY C C 40 171.726 173.717 -1.991 1
1 397 . 15 1 1 A 40 40 GLY CA C 40 44.662 46.206 -1.544 1
1 398 . 15 1 1 A 40 40 GLY N N 40 110.640 109.467 1.173 1
1 399 . 15 1 1 A 41 41 PRO HA H 41 4.481 4.681 -0.200 1
1 406 . 15 1 1 A 41 41 PRO C C 41 177.367 176.018 1.349 1
1 407 . 15 1 1 A 41 41 PRO CA C 41 63.234 62.612 0.622 1
1 408 . 15 1 1 A 41 41 PRO CB C 41 32.193 30.351 1.842 1
1 411 . 15 1 1 A 42 42 SER H H 42 8.538 8.449 0.089 1
1 412 . 15 1 1 A 42 42 SER C C 42 174.673 173.274 1.399 1
1 413 . 15 1 1 A 42 42 SER CA C 42 58.495 57.696 0.799 1
1 414 . 15 1 1 A 42 42 SER CB C 42 64.033 61.816 2.217 1
1 1 . 16 1 1 A 7 7 GLY HA2 H 7 3.984 4.187 -0.203 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 3.984 4.189 -0.205 1
1 3 . 16 1 1 A 7 7 GLY C C 7 174.243 173.353 0.890 1
1 4 . 16 1 1 A 7 7 GLY CA C 7 45.345 45.830 -0.485 1
1 5 . 16 1 1 A 8 8 THR H H 8 8.056 7.678 0.378 1
1 6 . 16 1 1 A 8 8 THR HA H 8 4.351 4.676 -0.325 1
1 11 . 16 1 1 A 8 8 THR C C 8 174.506 173.541 0.965 1
1 12 . 16 1 1 A 8 8 THR CA C 8 61.679 61.505 0.174 1
1 13 . 16 1 1 A 8 8 THR CB C 8 70.039 68.698 1.341 1
1 15 . 16 1 1 A 8 8 THR N N 8 114.027 114.011 0.016 1
1 16 . 16 1 1 A 9 9 ARG H H 9 8.379 8.825 -0.446 1
1 17 . 16 1 1 A 9 9 ARG HA H 9 4.291 4.670 -0.379 1
1 24 . 16 1 1 A 9 9 ARG C C 9 176.137 175.812 0.325 1
1 25 . 16 1 1 A 9 9 ARG CA C 9 56.291 55.610 0.681 1
1 26 . 16 1 1 A 9 9 ARG CB C 9 30.735 32.571 -1.836 1
1 29 . 16 1 1 A 9 9 ARG N N 9 123.323 126.980 -3.657 1
1 30 . 16 1 1 A 10 10 GLU H H 10 8.420 8.985 -0.565 1
1 31 . 16 1 1 A 10 10 GLU HA H 10 4.142 4.513 -0.371 1
1 36 . 16 1 1 A 10 10 GLU C C 10 176.102 176.758 -0.656 1
1 37 . 16 1 1 A 10 10 GLU CA C 10 57.284 57.495 -0.211 1
1 38 . 16 1 1 A 10 10 GLU CB C 10 30.289 32.942 -2.653 1
1 40 . 16 1 1 A 10 10 GLU N N 10 121.984 124.953 -2.969 1
1 41 . 16 1 1 A 11 11 LYS H H 11 8.035 7.596 0.439 1
1 42 . 16 1 1 A 11 11 LYS HA H 11 4.545 4.429 0.116 1
1 51 . 16 1 1 A 11 11 LYS C C 11 173.979 176.484 -2.505 1
1 52 . 16 1 1 A 11 11 LYS CA C 11 53.589 55.133 -1.544 1
1 53 . 16 1 1 A 11 11 LYS CB C 11 33.028 31.872 1.156 1
1 57 . 16 1 1 A 11 11 LYS N N 11 120.453 119.879 0.574 1
1 58 . 16 1 1 A 12 12 PRO HA H 12 4.290 4.360 -0.070 1
1 65 . 16 1 1 A 12 12 PRO C C 12 176.186 175.901 0.285 1
1 66 . 16 1 1 A 12 12 PRO CA C 12 63.385 64.927 -1.542 1
1 67 . 16 1 1 A 12 12 PRO CB C 12 32.283 31.822 0.461 1
1 70 . 16 1 1 A 13 13 TYR H H 13 8.036 7.404 0.632 1
1 71 . 16 1 1 A 13 13 TYR HA H 13 4.568 4.864 -0.296 1
1 78 . 16 1 1 A 13 13 TYR C C 13 174.612 176.141 -1.529 1
1 79 . 16 1 1 A 13 13 TYR CA C 13 57.760 58.207 -0.447 1
1 80 . 16 1 1 A 13 13 TYR CB C 13 38.387 40.002 -1.615 1
1 85 . 16 1 1 A 13 13 TYR N N 13 118.849 118.242 0.607 1
1 86 . 16 1 1 A 14 14 GLU H H 14 8.552 9.198 -0.646 1
1 87 . 16 1 1 A 14 14 GLU HA H 14 4.923 5.563 -0.640 1
1 92 . 16 1 1 A 14 14 GLU C C 14 175.204 175.470 -0.266 1
1 93 . 16 1 1 A 14 14 GLU CA C 14 54.910 54.298 0.612 1
1 94 . 16 1 1 A 14 14 GLU CB C 14 33.000 33.620 -0.620 1
1 96 . 16 1 1 A 14 14 GLU N N 14 123.988 121.574 2.414 1
1 97 . 16 1 1 A 15 15 CYS H H 15 9.288 8.999 0.289 1
1 98 . 16 1 1 A 15 15 CYS HA H 15 4.591 4.587 0.004 1
1 101 . 16 1 1 A 15 15 CYS C C 15 177.502 176.241 1.261 1
1 102 . 16 1 1 A 15 15 CYS CA C 15 59.594 59.641 -0.047 1
1 103 . 16 1 1 A 15 15 CYS CB C 15 29.754 28.335 1.419 1
1 104 . 16 1 1 A 15 15 CYS N N 15 126.830 123.726 3.104 1
1 105 . 16 1 1 A 16 16 SER H H 16 9.383 9.122 0.261 1
1 106 . 16 1 1 A 16 16 SER HA H 16 4.287 4.566 -0.279 1
1 109 . 16 1 1 A 16 16 SER C C 16 174.508 175.113 -0.605 1
1 110 . 16 1 1 A 16 16 SER CA C 16 60.955 58.763 2.192 1
1 111 . 16 1 1 A 16 16 SER CB C 16 63.100 63.045 0.055 1
1 112 . 16 1 1 A 16 16 SER N N 16 128.427 122.143 6.284 1
1 113 . 16 1 1 A 17 17 GLU H H 17 8.727 7.893 0.834 1
1 114 . 16 1 1 A 17 17 GLU HA H 17 4.258 4.365 -0.107 1
1 119 . 16 1 1 A 17 17 GLU C C 17 177.133 177.901 -0.768 1
1 120 . 16 1 1 A 17 17 GLU CA C 17 58.110 57.179 0.931 1
1 121 . 16 1 1 A 17 17 GLU CB C 17 29.738 30.509 -0.771 1
1 123 . 16 1 1 A 17 17 GLU N N 17 123.127 119.959 3.168 1
1 124 . 16 1 1 A 18 18 CYS H H 18 7.939 7.938 0.001 1
1 125 . 16 1 1 A 18 18 CYS HA H 18 5.177 4.682 0.495 1
1 128 . 16 1 1 A 18 18 CYS C C 18 176.246 175.690 0.556 1
1 129 . 16 1 1 A 18 18 CYS CA C 18 58.259 59.236 -0.977 1
1 130 . 16 1 1 A 18 18 CYS CB C 18 32.602 30.364 2.238 1
1 131 . 16 1 1 A 18 18 CYS N N 18 114.781 114.865 -0.084 1
1 132 . 16 1 1 A 19 19 GLY H H 19 8.186 8.088 0.098 1
1 133 . 16 1 1 A 19 19 GLY HA2 H 19 4.233 4.041 0.192 1
1 134 . 16 1 1 A 19 19 GLY HA3 H 19 3.870 4.053 -0.183 1
1 135 . 16 1 1 A 19 19 GLY C C 19 173.749 174.610 -0.861 1
1 136 . 16 1 1 A 19 19 GLY CA C 19 46.118 45.096 1.022 1
1 137 . 16 1 1 A 19 19 GLY N N 19 113.365 110.090 3.275 1
1 138 . 16 1 1 A 20 20 LYS H H 20 8.006 7.554 0.452 1
1 139 . 16 1 1 A 20 20 LYS HA H 20 3.923 4.229 -0.306 1
1 148 . 16 1 1 A 20 20 LYS C C 20 173.687 175.252 -1.565 1
1 149 . 16 1 1 A 20 20 LYS CA C 20 58.226 56.296 1.930 1
1 150 . 16 1 1 A 20 20 LYS CB C 20 33.596 33.289 0.307 1
1 154 . 16 1 1 A 20 20 LYS N N 20 123.138 122.146 0.992 1
1 155 . 16 1 1 A 21 21 ALA H H 21 7.748 7.872 -0.124 1
1 156 . 16 1 1 A 21 21 ALA HA H 21 5.177 5.806 -0.629 1
1 160 . 16 1 1 A 21 21 ALA C C 21 176.281 175.173 1.108 1
1 161 . 16 1 1 A 21 21 ALA CA C 21 50.328 50.353 -0.025 1
1 162 . 16 1 1 A 21 21 ALA CB C 21 22.412 23.846 -1.434 1
1 163 . 16 1 1 A 21 21 ALA N N 21 123.859 122.625 1.234 1
1 164 . 16 1 1 A 22 22 PHE H H 22 8.670 9.203 -0.533 1
1 165 . 16 1 1 A 22 22 PHE HA H 22 4.744 4.966 -0.222 1
1 173 . 16 1 1 A 22 22 PHE C C 22 175.220 175.671 -0.451 1
1 174 . 16 1 1 A 22 22 PHE CA C 22 57.170 56.653 0.517 1
1 175 . 16 1 1 A 22 22 PHE CB C 22 43.555 43.331 0.224 1
1 181 . 16 1 1 A 22 22 PHE N N 22 117.277 116.196 1.081 1
1 182 . 16 1 1 A 23 23 ILE H H 23 8.681 8.165 0.516 1
1 183 . 16 1 1 A 23 23 ILE HA H 23 4.317 4.197 0.120 1
1 193 . 16 1 1 A 23 23 ILE C C 23 175.969 176.842 -0.873 1
1 194 . 16 1 1 A 23 23 ILE CA C 23 63.252 63.100 0.152 1
1 195 . 16 1 1 A 23 23 ILE CB C 23 38.840 38.665 0.175 1
1 199 . 16 1 1 A 23 23 ILE N N 23 119.186 121.533 -2.347 1
1 200 . 16 1 1 A 24 24 ARG H H 24 7.716 7.853 -0.137 1
1 201 . 16 1 1 A 24 24 ARG HA H 24 4.794 4.593 0.201 1
1 208 . 16 1 1 A 24 24 ARG C C 24 176.531 175.507 1.024 1
1 209 . 16 1 1 A 24 24 ARG CA C 24 53.902 53.915 -0.013 1
1 210 . 16 1 1 A 24 24 ARG CB C 24 33.380 33.106 0.274 1
1 213 . 16 1 1 A 24 24 ARG N N 24 115.336 120.618 -5.282 1
1 214 . 16 1 1 A 25 25 ASN H H 25 8.492 7.951 0.541 1
1 215 . 16 1 1 A 25 25 ASN HA H 25 3.587 3.490 0.097 1
1 220 . 16 1 1 A 25 25 ASN C C 25 177.332 176.759 0.573 1
1 221 . 16 1 1 A 25 25 ASN CA C 25 56.127 56.550 -0.423 1
1 222 . 16 1 1 A 25 25 ASN CB C 25 38.325 38.462 -0.137 1
1 223 . 16 1 1 A 25 25 ASN N N 25 124.604 121.865 2.739 1
1 225 . 16 1 1 A 26 26 SER HA H 26 3.868 3.994 -0.126 1
1 228 . 16 1 1 A 26 26 SER C C 26 176.671 176.829 -0.158 1
1 229 . 16 1 1 A 26 26 SER CA C 26 61.484 61.236 0.248 1
1 230 . 16 1 1 A 26 26 SER CB C 26 59.671 62.837 -3.166 1
1 231 . 16 1 1 A 26 26 SER N N 26 116.000 113.806 2.194 1
1 232 . 16 1 1 A 27 27 GLN H H 27 6.676 7.601 -0.925 1
1 233 . 16 1 1 A 27 27 GLN HA H 27 3.939 4.002 -0.063 1
1 240 . 16 1 1 A 27 27 GLN C C 27 178.435 177.952 0.483 1
1 241 . 16 1 1 A 27 27 GLN CA C 27 57.514 58.842 -1.328 1
1 242 . 16 1 1 A 27 27 GLN CB C 27 28.989 28.486 0.503 1
1 244 . 16 1 1 A 27 27 GLN N N 27 119.416 121.495 -2.079 1
1 246 . 16 1 1 A 28 28 LEU H H 28 6.916 7.447 -0.531 1
1 247 . 16 1 1 A 28 28 LEU HA H 28 3.284 1.900 1.384 1
1 257 . 16 1 1 A 28 28 LEU C C 28 177.490 178.149 -0.659 1
1 258 . 16 1 1 A 28 28 LEU CA C 28 57.911 57.490 0.421 1
1 259 . 16 1 1 A 28 28 LEU CB C 28 40.185 41.108 -0.923 1
1 263 . 16 1 1 A 28 28 LEU N N 28 122.389 121.107 1.282 1
1 264 . 16 1 1 A 29 29 ILE H H 29 7.971 7.975 -0.004 1
1 265 . 16 1 1 A 29 29 ILE HA H 29 3.731 3.525 0.206 1
1 275 . 16 1 1 A 29 29 ILE C C 29 179.073 177.929 1.144 1
1 276 . 16 1 1 A 29 29 ILE CA C 29 64.438 65.403 -0.965 1
1 277 . 16 1 1 A 29 29 ILE CB C 29 37.464 37.555 -0.091 1
1 281 . 16 1 1 A 29 29 ILE N N 29 119.136 119.913 -0.777 1
1 282 . 16 1 1 A 30 30 VAL H H 30 7.101 7.599 -0.498 1
1 283 . 16 1 1 A 30 30 VAL HA H 30 3.510 3.698 -0.188 1
1 291 . 16 1 1 A 30 30 VAL C C 30 178.913 177.991 0.922 1
1 292 . 16 1 1 A 30 30 VAL CA C 30 66.454 66.270 0.184 1
1 293 . 16 1 1 A 30 30 VAL CB C 30 31.972 31.563 0.409 1
1 296 . 16 1 1 A 30 30 VAL N N 30 118.445 120.003 -1.558 1
1 297 . 16 1 1 A 31 31 HIS H H 31 7.640 7.993 -0.353 1
1 298 . 16 1 1 A 31 31 HIS HA H 31 4.227 4.282 -0.055 1
1 303 . 16 1 1 A 31 31 HIS C C 31 178.068 177.054 1.014 1
1 304 . 16 1 1 A 31 31 HIS CA C 31 59.324 58.688 0.636 1
1 305 . 16 1 1 A 31 31 HIS CB C 31 28.585 30.487 -1.902 1
1 308 . 16 1 1 A 31 31 HIS N N 31 119.473 119.177 0.296 1
1 309 . 16 1 1 A 32 32 GLN H H 32 9.000 8.071 0.929 1
1 310 . 16 1 1 A 32 32 GLN HA H 32 3.726 4.131 -0.405 1
1 317 . 16 1 1 A 32 32 GLN C C 32 178.082 178.691 -0.609 1
1 318 . 16 1 1 A 32 32 GLN CA C 32 59.828 57.834 1.994 1
1 319 . 16 1 1 A 32 32 GLN CB C 32 28.009 28.252 -0.243 1
1 321 . 16 1 1 A 32 32 GLN N N 32 120.303 118.353 1.950 1
1 323 . 16 1 1 A 33 33 ARG H H 33 7.300 7.872 -0.572 1
1 324 . 16 1 1 A 33 33 ARG HA H 33 4.192 4.041 0.151 1
1 331 . 16 1 1 A 33 33 ARG C C 33 178.428 179.140 -0.712 1
1 332 . 16 1 1 A 33 33 ARG CA C 33 58.472 59.219 -0.747 1
1 333 . 16 1 1 A 33 33 ARG CB C 33 29.899 29.891 0.008 1
1 336 . 16 1 1 A 33 33 ARG N N 33 117.936 120.782 -2.846 1
1 337 . 16 1 1 A 34 34 THR H H 34 7.787 7.686 0.101 1
1 338 . 16 1 1 A 34 34 THR HA H 34 4.127 3.944 0.183 1
1 343 . 16 1 1 A 34 34 THR C C 34 175.625 176.949 -1.324 1
1 344 . 16 1 1 A 34 34 THR CA C 34 64.023 65.639 -1.616 1
1 345 . 16 1 1 A 34 34 THR CB C 34 69.314 67.968 1.346 1
1 347 . 16 1 1 A 34 34 THR N N 34 109.902 114.092 -4.190 1
1 348 . 16 1 1 A 35 35 HIS H H 35 7.100 8.117 -1.017 1
1 349 . 16 1 1 A 35 35 HIS HA H 35 4.859 4.287 0.572 1
1 354 . 16 1 1 A 35 35 HIS C C 35 175.369 177.534 -2.165 1
1 355 . 16 1 1 A 35 35 HIS CA C 35 55.421 59.841 -4.420 1
1 356 . 16 1 1 A 35 35 HIS CB C 35 28.730 29.471 -0.741 1
1 359 . 16 1 1 A 35 35 HIS N N 35 118.308 120.001 -1.693 1
1 360 . 16 1 1 A 36 36 SER H H 36 7.832 8.555 -0.723 1
1 361 . 16 1 1 A 36 36 SER HA H 36 4.488 4.072 0.416 1
1 364 . 16 1 1 A 36 36 SER C C 36 175.116 175.893 -0.777 1
1 365 . 16 1 1 A 36 36 SER CA C 36 58.823 61.429 -2.606 1
1 366 . 16 1 1 A 36 36 SER CB C 36 63.948 62.652 1.296 1
1 367 . 16 1 1 A 36 36 SER N N 36 114.683 114.468 0.215 1
1 368 . 16 1 1 A 37 37 GLY H H 37 8.324 7.395 0.929 1
1 369 . 16 1 1 A 37 37 GLY HA2 H 37 4.012 4.031 -0.019 1
1 370 . 16 1 1 A 37 37 GLY HA3 H 37 4.012 4.040 -0.028 1
1 371 . 16 1 1 A 37 37 GLY C C 37 174.303 172.802 1.501 1
1 372 . 16 1 1 A 37 37 GLY CA C 37 45.417 44.979 0.438 1
1 373 . 16 1 1 A 37 37 GLY N N 37 110.893 108.647 2.246 1
1 374 . 16 1 1 A 38 38 GLU H H 38 8.206 8.916 -0.710 1
1 375 . 16 1 1 A 38 38 GLU HA H 38 4.331 4.951 -0.620 1
1 380 . 16 1 1 A 38 38 GLU C C 38 176.590 176.677 -0.087 1
1 381 . 16 1 1 A 38 38 GLU CA C 38 56.589 54.842 1.747 1
1 382 . 16 1 1 A 38 38 GLU CB C 38 30.477 33.385 -2.908 1
1 384 . 16 1 1 A 38 38 GLU N N 38 120.603 118.434 2.169 1
1 385 . 16 1 1 A 39 39 SER H H 39 8.416 8.732 -0.316 1
1 386 . 16 1 1 A 39 39 SER HA H 39 4.490 4.289 0.201 1
1 389 . 16 1 1 A 39 39 SER C C 39 174.575 173.874 0.701 1
1 390 . 16 1 1 A 39 39 SER CA C 39 58.289 59.819 -1.530 1
1 391 . 16 1 1 A 39 39 SER CB C 39 63.935 63.992 -0.057 1
1 392 . 16 1 1 A 39 39 SER N N 39 116.772 116.300 0.472 1
1 393 . 16 1 1 A 40 40 GLY H H 40 8.240 7.559 0.681 1
1 394 . 16 1 1 A 40 40 GLY HA2 H 40 4.149 4.073 0.076 1
1 395 . 16 1 1 A 40 40 GLY HA3 H 40 4.051 4.074 -0.023 1
1 396 . 16 1 1 A 40 40 GLY C C 40 171.726 173.950 -2.224 1
1 397 . 16 1 1 A 40 40 GLY CA C 40 44.662 44.106 0.556 1
1 398 . 16 1 1 A 40 40 GLY N N 40 110.640 108.801 1.839 1
1 399 . 16 1 1 A 41 41 PRO HA H 41 4.481 4.426 0.055 1
1 406 . 16 1 1 A 41 41 PRO C C 41 177.367 177.007 0.360 1
1 407 . 16 1 1 A 41 41 PRO CA C 41 63.234 64.582 -1.348 1
1 408 . 16 1 1 A 41 41 PRO CB C 41 32.193 31.951 0.242 1
1 411 . 16 1 1 A 42 42 SER H H 42 8.538 8.157 0.381 1
1 412 . 16 1 1 A 42 42 SER C C 42 174.673 173.680 0.993 1
1 413 . 16 1 1 A 42 42 SER CA C 42 58.495 58.269 0.226 1
1 414 . 16 1 1 A 42 42 SER CB C 42 64.033 62.471 1.562 1
1 1 . 17 1 1 A 7 7 GLY HA2 H 7 3.984 4.034 -0.050 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 3.984 4.035 -0.051 1
1 3 . 17 1 1 A 7 7 GLY C C 7 174.243 172.025 2.218 1
1 4 . 17 1 1 A 7 7 GLY CA C 7 45.345 45.236 0.109 1
1 5 . 17 1 1 A 8 8 THR H H 8 8.056 8.609 -0.553 1
1 6 . 17 1 1 A 8 8 THR HA H 8 4.351 4.852 -0.501 1
1 11 . 17 1 1 A 8 8 THR C C 8 174.506 173.888 0.618 1
1 12 . 17 1 1 A 8 8 THR CA C 8 61.679 59.712 1.967 1
1 13 . 17 1 1 A 8 8 THR CB C 8 70.039 70.965 -0.926 1
1 15 . 17 1 1 A 8 8 THR N N 8 114.027 118.842 -4.815 1
1 16 . 17 1 1 A 9 9 ARG H H 9 8.379 8.724 -0.345 1
1 17 . 17 1 1 A 9 9 ARG HA H 9 4.291 3.737 0.554 1
1 24 . 17 1 1 A 9 9 ARG C C 9 176.137 175.943 0.194 1
1 25 . 17 1 1 A 9 9 ARG CA C 9 56.291 56.871 -0.580 1
1 26 . 17 1 1 A 9 9 ARG CB C 9 30.735 27.576 3.159 1
1 29 . 17 1 1 A 9 9 ARG N N 9 123.323 124.619 -1.296 1
1 30 . 17 1 1 A 10 10 GLU H H 10 8.420 8.277 0.143 1
1 31 . 17 1 1 A 10 10 GLU HA H 10 4.142 4.458 -0.316 1
1 36 . 17 1 1 A 10 10 GLU C C 10 176.102 175.912 0.190 1
1 37 . 17 1 1 A 10 10 GLU CA C 10 57.284 56.122 1.162 1
1 38 . 17 1 1 A 10 10 GLU CB C 10 30.289 28.910 1.379 1
1 40 . 17 1 1 A 10 10 GLU N N 10 121.984 118.146 3.838 1
1 41 . 17 1 1 A 11 11 LYS H H 11 8.035 7.200 0.835 1
1 42 . 17 1 1 A 11 11 LYS HA H 11 4.545 4.615 -0.070 1
1 51 . 17 1 1 A 11 11 LYS C C 11 173.979 176.475 -2.496 1
1 52 . 17 1 1 A 11 11 LYS CA C 11 53.589 53.827 -0.238 1
1 53 . 17 1 1 A 11 11 LYS CB C 11 33.028 32.212 0.816 1
1 57 . 17 1 1 A 11 11 LYS N N 11 120.453 120.431 0.022 1
1 58 . 17 1 1 A 12 12 PRO HA H 12 4.290 4.300 -0.010 1
1 65 . 17 1 1 A 12 12 PRO C C 12 176.186 175.891 0.295 1
1 66 . 17 1 1 A 12 12 PRO CA C 12 63.385 65.142 -1.757 1
1 67 . 17 1 1 A 12 12 PRO CB C 12 32.283 31.694 0.589 1
1 70 . 17 1 1 A 13 13 TYR H H 13 8.036 7.515 0.521 1
1 71 . 17 1 1 A 13 13 TYR HA H 13 4.568 4.697 -0.129 1
1 78 . 17 1 1 A 13 13 TYR C C 13 174.612 176.269 -1.657 1
1 79 . 17 1 1 A 13 13 TYR CA C 13 57.760 58.270 -0.510 1
1 80 . 17 1 1 A 13 13 TYR CB C 13 38.387 39.941 -1.554 1
1 85 . 17 1 1 A 13 13 TYR N N 13 118.849 118.251 0.598 1
1 86 . 17 1 1 A 14 14 GLU H H 14 8.552 9.201 -0.649 1
1 87 . 17 1 1 A 14 14 GLU HA H 14 4.923 5.513 -0.590 1
1 92 . 17 1 1 A 14 14 GLU C C 14 175.204 175.258 -0.054 1
1 93 . 17 1 1 A 14 14 GLU CA C 14 54.910 54.597 0.313 1
1 94 . 17 1 1 A 14 14 GLU CB C 14 33.000 33.928 -0.928 1
1 96 . 17 1 1 A 14 14 GLU N N 14 123.988 121.043 2.945 1
1 97 . 17 1 1 A 15 15 CYS H H 15 9.288 8.892 0.396 1
1 98 . 17 1 1 A 15 15 CYS HA H 15 4.591 4.627 -0.036 1
1 101 . 17 1 1 A 15 15 CYS C C 15 177.502 176.119 1.383 1
1 102 . 17 1 1 A 15 15 CYS CA C 15 59.594 59.590 0.004 1
1 103 . 17 1 1 A 15 15 CYS CB C 15 29.754 28.449 1.305 1
1 104 . 17 1 1 A 15 15 CYS N N 15 126.830 123.972 2.858 1
1 105 . 17 1 1 A 16 16 SER H H 16 9.383 8.900 0.483 1
1 106 . 17 1 1 A 16 16 SER HA H 16 4.287 4.578 -0.291 1
1 109 . 17 1 1 A 16 16 SER C C 16 174.508 174.748 -0.240 1
1 110 . 17 1 1 A 16 16 SER CA C 16 60.955 58.897 2.058 1
1 111 . 17 1 1 A 16 16 SER CB C 16 63.100 63.372 -0.272 1
1 112 . 17 1 1 A 16 16 SER N N 16 128.427 123.030 5.397 1
1 113 . 17 1 1 A 17 17 GLU H H 17 8.727 7.935 0.792 1
1 114 . 17 1 1 A 17 17 GLU HA H 17 4.258 4.372 -0.114 1
1 119 . 17 1 1 A 17 17 GLU C C 17 177.133 177.993 -0.860 1
1 120 . 17 1 1 A 17 17 GLU CA C 17 58.110 57.207 0.903 1
1 121 . 17 1 1 A 17 17 GLU CB C 17 29.738 30.756 -1.018 1
1 123 . 17 1 1 A 17 17 GLU N N 17 123.127 118.872 4.255 1
1 124 . 17 1 1 A 18 18 CYS H H 18 7.939 8.003 -0.064 1
1 125 . 17 1 1 A 18 18 CYS HA H 18 5.177 4.665 0.512 1
1 128 . 17 1 1 A 18 18 CYS C C 18 176.246 175.621 0.625 1
1 129 . 17 1 1 A 18 18 CYS CA C 18 58.259 59.462 -1.203 1
1 130 . 17 1 1 A 18 18 CYS CB C 18 32.602 30.102 2.500 1
1 131 . 17 1 1 A 18 18 CYS N N 18 114.781 115.008 -0.227 1
1 132 . 17 1 1 A 19 19 GLY H H 19 8.186 8.097 0.089 1
1 133 . 17 1 1 A 19 19 GLY HA2 H 19 4.233 4.039 0.194 1
1 134 . 17 1 1 A 19 19 GLY HA3 H 19 3.870 4.053 -0.183 1
1 135 . 17 1 1 A 19 19 GLY C C 19 173.749 174.689 -0.940 1
1 136 . 17 1 1 A 19 19 GLY CA C 19 46.118 45.105 1.013 1
1 137 . 17 1 1 A 19 19 GLY N N 19 113.365 110.079 3.286 1
1 138 . 17 1 1 A 20 20 LYS H H 20 8.006 7.561 0.445 1
1 139 . 17 1 1 A 20 20 LYS HA H 20 3.923 4.217 -0.294 1
1 148 . 17 1 1 A 20 20 LYS C C 20 173.687 175.440 -1.753 1
1 149 . 17 1 1 A 20 20 LYS CA C 20 58.226 56.222 2.004 1
1 150 . 17 1 1 A 20 20 LYS CB C 20 33.596 33.308 0.288 1
1 154 . 17 1 1 A 20 20 LYS N N 20 123.138 122.475 0.663 1
1 155 . 17 1 1 A 21 21 ALA H H 21 7.748 7.869 -0.121 1
1 156 . 17 1 1 A 21 21 ALA HA H 21 5.177 5.578 -0.401 1
1 160 . 17 1 1 A 21 21 ALA C C 21 176.281 175.017 1.264 1
1 161 . 17 1 1 A 21 21 ALA CA C 21 50.328 50.330 -0.002 1
1 162 . 17 1 1 A 21 21 ALA CB C 21 22.412 23.483 -1.071 1
1 163 . 17 1 1 A 21 21 ALA N N 21 123.859 122.487 1.372 1
1 164 . 17 1 1 A 22 22 PHE H H 22 8.670 9.229 -0.559 1
1 165 . 17 1 1 A 22 22 PHE HA H 22 4.744 4.963 -0.219 1
1 173 . 17 1 1 A 22 22 PHE C C 22 175.220 175.811 -0.591 1
1 174 . 17 1 1 A 22 22 PHE CA C 22 57.170 56.520 0.650 1
1 175 . 17 1 1 A 22 22 PHE CB C 22 43.555 43.477 0.078 1
1 181 . 17 1 1 A 22 22 PHE N N 22 117.277 116.346 0.931 1
1 182 . 17 1 1 A 23 23 ILE H H 23 8.681 8.592 0.089 1
1 183 . 17 1 1 A 23 23 ILE HA H 23 4.317 4.204 0.113 1
1 193 . 17 1 1 A 23 23 ILE C C 23 175.969 176.860 -0.891 1
1 194 . 17 1 1 A 23 23 ILE CA C 23 63.252 63.130 0.122 1
1 195 . 17 1 1 A 23 23 ILE CB C 23 38.840 38.914 -0.074 1
1 199 . 17 1 1 A 23 23 ILE N N 23 119.186 122.196 -3.010 1
1 200 . 17 1 1 A 24 24 ARG H H 24 7.716 7.795 -0.079 1
1 201 . 17 1 1 A 24 24 ARG HA H 24 4.794 4.605 0.189 1
1 208 . 17 1 1 A 24 24 ARG C C 24 176.531 175.555 0.976 1
1 209 . 17 1 1 A 24 24 ARG CA C 24 53.902 53.983 -0.081 1
1 210 . 17 1 1 A 24 24 ARG CB C 24 33.380 32.974 0.406 1
1 213 . 17 1 1 A 24 24 ARG N N 24 115.336 120.497 -5.161 1
1 214 . 17 1 1 A 25 25 ASN H H 25 8.492 7.879 0.613 1
1 215 . 17 1 1 A 25 25 ASN HA H 25 3.587 3.432 0.155 1
1 220 . 17 1 1 A 25 25 ASN C C 25 177.332 176.857 0.475 1
1 221 . 17 1 1 A 25 25 ASN CA C 25 56.127 56.518 -0.391 1
1 222 . 17 1 1 A 25 25 ASN CB C 25 38.325 38.323 0.002 1
1 223 . 17 1 1 A 25 25 ASN N N 25 124.604 122.474 2.130 1
1 225 . 17 1 1 A 26 26 SER HA H 26 3.868 3.975 -0.107 1
1 228 . 17 1 1 A 26 26 SER C C 26 176.671 176.938 -0.267 1
1 229 . 17 1 1 A 26 26 SER CA C 26 61.484 61.314 0.170 1
1 230 . 17 1 1 A 26 26 SER CB C 26 59.671 62.940 -3.269 1
1 231 . 17 1 1 A 26 26 SER N N 26 116.000 113.702 2.298 1
1 232 . 17 1 1 A 27 27 GLN H H 27 6.676 7.948 -1.272 1
1 233 . 17 1 1 A 27 27 GLN HA H 27 3.939 4.008 -0.069 1
1 240 . 17 1 1 A 27 27 GLN C C 27 178.435 177.953 0.482 1
1 241 . 17 1 1 A 27 27 GLN CA C 27 57.514 58.869 -1.355 1
1 242 . 17 1 1 A 27 27 GLN CB C 27 28.989 28.475 0.514 1
1 244 . 17 1 1 A 27 27 GLN N N 27 119.416 121.615 -2.199 1
1 246 . 17 1 1 A 28 28 LEU H H 28 6.916 7.392 -0.476 1
1 247 . 17 1 1 A 28 28 LEU HA H 28 3.284 1.662 1.622 1
1 257 . 17 1 1 A 28 28 LEU C C 28 177.490 178.112 -0.622 1
1 258 . 17 1 1 A 28 28 LEU CA C 28 57.911 57.403 0.508 1
1 259 . 17 1 1 A 28 28 LEU CB C 28 40.185 41.214 -1.029 1
1 263 . 17 1 1 A 28 28 LEU N N 28 122.389 121.077 1.312 1
1 264 . 17 1 1 A 29 29 ILE H H 29 7.971 8.036 -0.065 1
1 265 . 17 1 1 A 29 29 ILE HA H 29 3.731 3.521 0.210 1
1 275 . 17 1 1 A 29 29 ILE C C 29 179.073 177.978 1.095 1
1 276 . 17 1 1 A 29 29 ILE CA C 29 64.438 65.379 -0.941 1
1 277 . 17 1 1 A 29 29 ILE CB C 29 37.464 37.591 -0.127 1
1 281 . 17 1 1 A 29 29 ILE N N 29 119.136 119.630 -0.494 1
1 282 . 17 1 1 A 30 30 VAL H H 30 7.101 7.681 -0.580 1
1 283 . 17 1 1 A 30 30 VAL HA H 30 3.510 3.693 -0.183 1
1 291 . 17 1 1 A 30 30 VAL C C 30 178.913 177.696 1.217 1
1 292 . 17 1 1 A 30 30 VAL CA C 30 66.454 66.259 0.195 1
1 293 . 17 1 1 A 30 30 VAL CB C 30 31.972 31.522 0.450 1
1 296 . 17 1 1 A 30 30 VAL N N 30 118.445 120.043 -1.598 1
1 297 . 17 1 1 A 31 31 HIS H H 31 7.640 8.120 -0.480 1
1 298 . 17 1 1 A 31 31 HIS HA H 31 4.227 4.301 -0.074 1
1 303 . 17 1 1 A 31 31 HIS C C 31 178.068 177.041 1.027 1
1 304 . 17 1 1 A 31 31 HIS CA C 31 59.324 58.634 0.690 1
1 305 . 17 1 1 A 31 31 HIS CB C 31 28.585 30.576 -1.991 1
1 308 . 17 1 1 A 31 31 HIS N N 31 119.473 119.682 -0.209 1
1 309 . 17 1 1 A 32 32 GLN H H 32 9.000 7.925 1.075 1
1 310 . 17 1 1 A 32 32 GLN HA H 32 3.726 4.138 -0.412 1
1 317 . 17 1 1 A 32 32 GLN C C 32 178.082 178.583 -0.501 1
1 318 . 17 1 1 A 32 32 GLN CA C 32 59.828 58.001 1.827 1
1 319 . 17 1 1 A 32 32 GLN CB C 32 28.009 28.227 -0.218 1
1 321 . 17 1 1 A 32 32 GLN N N 32 120.303 118.356 1.947 1
1 323 . 17 1 1 A 33 33 ARG H H 33 7.300 7.957 -0.657 1
1 324 . 17 1 1 A 33 33 ARG HA H 33 4.192 4.067 0.125 1
1 331 . 17 1 1 A 33 33 ARG C C 33 178.428 179.305 -0.877 1
1 332 . 17 1 1 A 33 33 ARG CA C 33 58.472 59.340 -0.868 1
1 333 . 17 1 1 A 33 33 ARG CB C 33 29.899 29.986 -0.087 1
1 336 . 17 1 1 A 33 33 ARG N N 33 117.936 120.736 -2.800 1
1 337 . 17 1 1 A 34 34 THR H H 34 7.787 7.729 0.058 1
1 338 . 17 1 1 A 34 34 THR HA H 34 4.127 3.927 0.200 1
1 343 . 17 1 1 A 34 34 THR C C 34 175.625 177.111 -1.486 1
1 344 . 17 1 1 A 34 34 THR CA C 34 64.023 65.680 -1.657 1
1 345 . 17 1 1 A 34 34 THR CB C 34 69.314 68.075 1.239 1
1 347 . 17 1 1 A 34 34 THR N N 34 109.902 114.549 -4.647 1
1 348 . 17 1 1 A 35 35 HIS H H 35 7.100 7.674 -0.574 1
1 349 . 17 1 1 A 35 35 HIS HA H 35 4.859 4.345 0.514 1
1 354 . 17 1 1 A 35 35 HIS C C 35 175.369 175.724 -0.355 1
1 355 . 17 1 1 A 35 35 HIS CA C 35 55.421 59.399 -3.978 1
1 356 . 17 1 1 A 35 35 HIS CB C 35 28.730 30.218 -1.488 1
1 359 . 17 1 1 A 35 35 HIS N N 35 118.308 117.480 0.828 1
1 360 . 17 1 1 A 36 36 SER H H 36 7.832 7.737 0.095 1
1 361 . 17 1 1 A 36 36 SER HA H 36 4.488 4.301 0.187 1
1 364 . 17 1 1 A 36 36 SER C C 36 175.116 175.051 0.065 1
1 365 . 17 1 1 A 36 36 SER CA C 36 58.823 59.304 -0.481 1
1 366 . 17 1 1 A 36 36 SER CB C 36 63.948 63.410 0.538 1
1 367 . 17 1 1 A 36 36 SER N N 36 114.683 112.941 1.742 1
1 368 . 17 1 1 A 37 37 GLY H H 37 8.324 8.898 -0.574 1
1 369 . 17 1 1 A 37 37 GLY HA2 H 37 4.012 3.985 0.027 1
1 370 . 17 1 1 A 37 37 GLY HA3 H 37 4.012 3.988 0.024 1
1 371 . 17 1 1 A 37 37 GLY C C 37 174.303 174.331 -0.028 1
1 372 . 17 1 1 A 37 37 GLY CA C 37 45.417 45.073 0.344 1
1 373 . 17 1 1 A 37 37 GLY N N 37 110.893 112.251 -1.358 1
1 374 . 17 1 1 A 38 38 GLU H H 38 8.206 7.421 0.785 1
1 375 . 17 1 1 A 38 38 GLU HA H 38 4.331 4.334 -0.003 1
1 380 . 17 1 1 A 38 38 GLU C C 38 176.590 177.463 -0.873 1
1 381 . 17 1 1 A 38 38 GLU CA C 38 56.589 56.743 -0.154 1
1 382 . 17 1 1 A 38 38 GLU CB C 38 30.477 31.945 -1.468 1
1 384 . 17 1 1 A 38 38 GLU N N 38 120.603 122.105 -1.502 1
1 385 . 17 1 1 A 39 39 SER H H 39 8.416 8.603 -0.187 1
1 386 . 17 1 1 A 39 39 SER HA H 39 4.490 4.303 0.187 1
1 389 . 17 1 1 A 39 39 SER C C 39 174.575 174.837 -0.262 1
1 390 . 17 1 1 A 39 39 SER CA C 39 58.289 60.089 -1.800 1
1 391 . 17 1 1 A 39 39 SER CB C 39 63.935 63.396 0.539 1
1 392 . 17 1 1 A 39 39 SER N N 39 116.772 119.356 -2.584 1
1 393 . 17 1 1 A 40 40 GLY H H 40 8.240 7.354 0.886 1
1 394 . 17 1 1 A 40 40 GLY HA2 H 40 4.149 4.227 -0.078 1
1 395 . 17 1 1 A 40 40 GLY HA3 H 40 4.051 4.231 -0.180 1
1 396 . 17 1 1 A 40 40 GLY C C 40 171.726 173.305 -1.579 1
1 397 . 17 1 1 A 40 40 GLY CA C 40 44.662 45.552 -0.890 1
1 398 . 17 1 1 A 40 40 GLY N N 40 110.640 107.831 2.809 1
1 399 . 17 1 1 A 41 41 PRO HA H 41 4.481 4.618 -0.137 1
1 406 . 17 1 1 A 41 41 PRO C C 41 177.367 176.420 0.947 1
1 407 . 17 1 1 A 41 41 PRO CA C 41 63.234 63.467 -0.233 1
1 408 . 17 1 1 A 41 41 PRO CB C 41 32.193 32.035 0.158 1
1 411 . 17 1 1 A 42 42 SER H H 42 8.538 7.624 0.914 1
1 412 . 17 1 1 A 42 42 SER C C 42 174.673 174.323 0.350 1
1 413 . 17 1 1 A 42 42 SER CA C 42 58.495 60.451 -1.956 1
1 414 . 17 1 1 A 42 42 SER CB C 42 64.033 63.696 0.337 1
1 1 . 18 1 1 A 7 7 GLY HA2 H 7 3.984 4.062 -0.078 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 3.984 4.065 -0.081 1
1 3 . 18 1 1 A 7 7 GLY C C 7 174.243 174.764 -0.521 1
1 4 . 18 1 1 A 7 7 GLY CA C 7 45.345 45.783 -0.438 1
1 5 . 18 1 1 A 8 8 THR H H 8 8.056 7.853 0.203 1
1 6 . 18 1 1 A 8 8 THR HA H 8 4.351 4.186 0.165 1
1 11 . 18 1 1 A 8 8 THR C C 8 174.506 174.078 0.428 1
1 12 . 18 1 1 A 8 8 THR CA C 8 61.679 63.610 -1.931 1
1 13 . 18 1 1 A 8 8 THR CB C 8 70.039 69.510 0.529 1
1 15 . 18 1 1 A 8 8 THR N N 8 114.027 115.890 -1.863 1
1 16 . 18 1 1 A 9 9 ARG H H 9 8.379 8.918 -0.539 1
1 17 . 18 1 1 A 9 9 ARG HA H 9 4.291 4.484 -0.193 1
1 24 . 18 1 1 A 9 9 ARG C C 9 176.137 175.810 0.327 1
1 25 . 18 1 1 A 9 9 ARG CA C 9 56.291 55.251 1.040 1
1 26 . 18 1 1 A 9 9 ARG CB C 9 30.735 31.772 -1.037 1
1 29 . 18 1 1 A 9 9 ARG N N 9 123.323 126.031 -2.708 1
1 30 . 18 1 1 A 10 10 GLU H H 10 8.420 8.788 -0.368 1
1 31 . 18 1 1 A 10 10 GLU HA H 10 4.142 4.380 -0.238 1
1 36 . 18 1 1 A 10 10 GLU C C 10 176.102 177.181 -1.079 1
1 37 . 18 1 1 A 10 10 GLU CA C 10 57.284 58.021 -0.737 1
1 38 . 18 1 1 A 10 10 GLU CB C 10 30.289 30.611 -0.322 1
1 40 . 18 1 1 A 10 10 GLU N N 10 121.984 123.444 -1.460 1
1 41 . 18 1 1 A 11 11 LYS H H 11 8.035 7.530 0.505 1
1 42 . 18 1 1 A 11 11 LYS HA H 11 4.545 4.444 0.101 1
1 51 . 18 1 1 A 11 11 LYS C C 11 173.979 176.710 -2.731 1
1 52 . 18 1 1 A 11 11 LYS CA C 11 53.589 54.968 -1.379 1
1 53 . 18 1 1 A 11 11 LYS CB C 11 33.028 31.857 1.171 1
1 57 . 18 1 1 A 11 11 LYS N N 11 120.453 119.186 1.267 1
1 58 . 18 1 1 A 12 12 PRO HA H 12 4.290 4.377 -0.087 1
1 65 . 18 1 1 A 12 12 PRO C C 12 176.186 176.021 0.165 1
1 66 . 18 1 1 A 12 12 PRO CA C 12 63.385 65.097 -1.712 1
1 67 . 18 1 1 A 12 12 PRO CB C 12 32.283 31.730 0.553 1
1 70 . 18 1 1 A 13 13 TYR H H 13 8.036 7.557 0.479 1
1 71 . 18 1 1 A 13 13 TYR HA H 13 4.568 4.729 -0.161 1
1 78 . 18 1 1 A 13 13 TYR C C 13 174.612 176.456 -1.844 1
1 79 . 18 1 1 A 13 13 TYR CA C 13 57.760 58.559 -0.799 1
1 80 . 18 1 1 A 13 13 TYR CB C 13 38.387 39.779 -1.392 1
1 85 . 18 1 1 A 13 13 TYR N N 13 118.849 118.249 0.600 1
1 86 . 18 1 1 A 14 14 GLU H H 14 8.552 9.207 -0.655 1
1 87 . 18 1 1 A 14 14 GLU HA H 14 4.923 5.562 -0.639 1
1 92 . 18 1 1 A 14 14 GLU C C 14 175.204 174.767 0.437 1
1 93 . 18 1 1 A 14 14 GLU CA C 14 54.910 54.266 0.644 1
1 94 . 18 1 1 A 14 14 GLU CB C 14 33.000 33.856 -0.856 1
1 96 . 18 1 1 A 14 14 GLU N N 14 123.988 121.565 2.423 1
1 97 . 18 1 1 A 15 15 CYS H H 15 9.288 9.099 0.189 1
1 98 . 18 1 1 A 15 15 CYS HA H 15 4.591 4.785 -0.194 1
1 101 . 18 1 1 A 15 15 CYS C C 15 177.502 176.069 1.433 1
1 102 . 18 1 1 A 15 15 CYS CA C 15 59.594 58.328 1.266 1
1 103 . 18 1 1 A 15 15 CYS CB C 15 29.754 29.195 0.559 1
1 104 . 18 1 1 A 15 15 CYS N N 15 126.830 123.287 3.543 1
1 105 . 18 1 1 A 16 16 SER H H 16 9.383 8.930 0.453 1
1 106 . 18 1 1 A 16 16 SER HA H 16 4.287 4.635 -0.348 1
1 109 . 18 1 1 A 16 16 SER C C 16 174.508 174.738 -0.230 1
1 110 . 18 1 1 A 16 16 SER CA C 16 60.955 58.602 2.353 1
1 111 . 18 1 1 A 16 16 SER CB C 16 63.100 63.017 0.083 1
1 112 . 18 1 1 A 16 16 SER N N 16 128.427 122.852 5.575 1
1 113 . 18 1 1 A 17 17 GLU H H 17 8.727 7.934 0.793 1
1 114 . 18 1 1 A 17 17 GLU HA H 17 4.258 4.389 -0.131 1
1 119 . 18 1 1 A 17 17 GLU C C 17 177.133 177.959 -0.826 1
1 120 . 18 1 1 A 17 17 GLU CA C 17 58.110 56.931 1.179 1
1 121 . 18 1 1 A 17 17 GLU CB C 17 29.738 31.142 -1.404 1
1 123 . 18 1 1 A 17 17 GLU N N 17 123.127 119.235 3.892 1
1 124 . 18 1 1 A 18 18 CYS H H 18 7.939 7.962 -0.023 1
1 125 . 18 1 1 A 18 18 CYS HA H 18 5.177 4.761 0.416 1
1 128 . 18 1 1 A 18 18 CYS C C 18 176.246 175.581 0.665 1
1 129 . 18 1 1 A 18 18 CYS CA C 18 58.259 59.531 -1.272 1
1 130 . 18 1 1 A 18 18 CYS CB C 18 32.602 30.178 2.424 1
1 131 . 18 1 1 A 18 18 CYS N N 18 114.781 114.513 0.268 1
1 132 . 18 1 1 A 19 19 GLY H H 19 8.186 8.012 0.174 1
1 133 . 18 1 1 A 19 19 GLY HA2 H 19 4.233 4.059 0.174 1
1 134 . 18 1 1 A 19 19 GLY HA3 H 19 3.870 4.069 -0.199 1
1 135 . 18 1 1 A 19 19 GLY C C 19 173.749 174.556 -0.807 1
1 136 . 18 1 1 A 19 19 GLY CA C 19 46.118 44.976 1.142 1
1 137 . 18 1 1 A 19 19 GLY N N 19 113.365 109.788 3.577 1
1 138 . 18 1 1 A 20 20 LYS H H 20 8.006 7.576 0.430 1
1 139 . 18 1 1 A 20 20 LYS HA H 20 3.923 4.099 -0.176 1
1 148 . 18 1 1 A 20 20 LYS C C 20 173.687 175.270 -1.583 1
1 149 . 18 1 1 A 20 20 LYS CA C 20 58.226 56.551 1.675 1
1 150 . 18 1 1 A 20 20 LYS CB C 20 33.596 33.157 0.439 1
1 154 . 18 1 1 A 20 20 LYS N N 20 123.138 122.500 0.638 1
1 155 . 18 1 1 A 21 21 ALA H H 21 7.748 7.859 -0.111 1
1 156 . 18 1 1 A 21 21 ALA HA H 21 5.177 5.653 -0.476 1
1 160 . 18 1 1 A 21 21 ALA C C 21 176.281 175.110 1.171 1
1 161 . 18 1 1 A 21 21 ALA CA C 21 50.328 49.983 0.345 1
1 162 . 18 1 1 A 21 21 ALA CB C 21 22.412 23.648 -1.236 1
1 163 . 18 1 1 A 21 21 ALA N N 21 123.859 124.248 -0.389 1
1 164 . 18 1 1 A 22 22 PHE H H 22 8.670 9.161 -0.491 1
1 165 . 18 1 1 A 22 22 PHE HA H 22 4.744 4.921 -0.177 1
1 173 . 18 1 1 A 22 22 PHE C C 22 175.220 175.694 -0.474 1
1 174 . 18 1 1 A 22 22 PHE CA C 22 57.170 56.606 0.564 1
1 175 . 18 1 1 A 22 22 PHE CB C 22 43.555 43.197 0.358 1
1 181 . 18 1 1 A 22 22 PHE N N 22 117.277 116.145 1.132 1
1 182 . 18 1 1 A 23 23 ILE H H 23 8.681 8.718 -0.037 1
1 183 . 18 1 1 A 23 23 ILE HA H 23 4.317 4.330 -0.013 1
1 193 . 18 1 1 A 23 23 ILE C C 23 175.969 176.531 -0.562 1
1 194 . 18 1 1 A 23 23 ILE CA C 23 63.252 62.839 0.413 1
1 195 . 18 1 1 A 23 23 ILE CB C 23 38.840 38.712 0.128 1
1 199 . 18 1 1 A 23 23 ILE N N 23 119.186 121.235 -2.049 1
1 200 . 18 1 1 A 24 24 ARG H H 24 7.716 7.631 0.085 1
1 201 . 18 1 1 A 24 24 ARG HA H 24 4.794 4.477 0.317 1
1 208 . 18 1 1 A 24 24 ARG C C 24 176.531 175.353 1.178 1
1 209 . 18 1 1 A 24 24 ARG CA C 24 53.902 53.927 -0.025 1
1 210 . 18 1 1 A 24 24 ARG CB C 24 33.380 32.922 0.458 1
1 213 . 18 1 1 A 24 24 ARG N N 24 115.336 120.217 -4.881 1
1 214 . 18 1 1 A 25 25 ASN H H 25 8.492 8.138 0.354 1
1 215 . 18 1 1 A 25 25 ASN HA H 25 3.587 3.483 0.104 1
1 220 . 18 1 1 A 25 25 ASN C C 25 177.332 176.766 0.566 1
1 221 . 18 1 1 A 25 25 ASN CA C 25 56.127 56.590 -0.463 1
1 222 . 18 1 1 A 25 25 ASN CB C 25 38.325 38.618 -0.293 1
1 223 . 18 1 1 A 25 25 ASN N N 25 124.604 122.323 2.281 1
1 225 . 18 1 1 A 26 26 SER HA H 26 3.868 4.156 -0.288 1
1 228 . 18 1 1 A 26 26 SER C C 26 176.671 176.935 -0.264 1
1 229 . 18 1 1 A 26 26 SER CA C 26 61.484 61.362 0.122 1
1 230 . 18 1 1 A 26 26 SER CB C 26 59.671 62.667 -2.996 1
1 231 . 18 1 1 A 26 26 SER N N 26 116.000 114.346 1.654 1
1 232 . 18 1 1 A 27 27 GLN H H 27 6.676 7.537 -0.861 1
1 233 . 18 1 1 A 27 27 GLN HA H 27 3.939 3.927 0.012 1
1 240 . 18 1 1 A 27 27 GLN C C 27 178.435 177.777 0.658 1
1 241 . 18 1 1 A 27 27 GLN CA C 27 57.514 58.699 -1.185 1
1 242 . 18 1 1 A 27 27 GLN CB C 27 28.989 28.430 0.559 1
1 244 . 18 1 1 A 27 27 GLN N N 27 119.416 121.953 -2.537 1
1 246 . 18 1 1 A 28 28 LEU H H 28 6.916 7.372 -0.456 1
1 247 . 18 1 1 A 28 28 LEU HA H 28 3.284 1.807 1.477 1
1 257 . 18 1 1 A 28 28 LEU C C 28 177.490 178.357 -0.867 1
1 258 . 18 1 1 A 28 28 LEU CA C 28 57.911 57.381 0.530 1
1 259 . 18 1 1 A 28 28 LEU CB C 28 40.185 41.425 -1.240 1
1 263 . 18 1 1 A 28 28 LEU N N 28 122.389 121.001 1.388 1
1 264 . 18 1 1 A 29 29 ILE H H 29 7.971 7.978 -0.007 1
1 265 . 18 1 1 A 29 29 ILE HA H 29 3.731 3.554 0.177 1
1 275 . 18 1 1 A 29 29 ILE C C 29 179.073 178.018 1.055 1
1 276 . 18 1 1 A 29 29 ILE CA C 29 64.438 65.322 -0.884 1
1 277 . 18 1 1 A 29 29 ILE CB C 29 37.464 37.667 -0.203 1
1 281 . 18 1 1 A 29 29 ILE N N 29 119.136 119.913 -0.777 1
1 282 . 18 1 1 A 30 30 VAL H H 30 7.101 7.540 -0.439 1
1 283 . 18 1 1 A 30 30 VAL HA H 30 3.510 3.677 -0.167 1
1 291 . 18 1 1 A 30 30 VAL C C 30 178.913 178.200 0.713 1
1 292 . 18 1 1 A 30 30 VAL CA C 30 66.454 66.222 0.232 1
1 293 . 18 1 1 A 30 30 VAL CB C 30 31.972 31.450 0.522 1
1 296 . 18 1 1 A 30 30 VAL N N 30 118.445 119.934 -1.489 1
1 297 . 18 1 1 A 31 31 HIS H H 31 7.640 7.904 -0.264 1
1 298 . 18 1 1 A 31 31 HIS HA H 31 4.227 4.266 -0.039 1
1 303 . 18 1 1 A 31 31 HIS C C 31 178.068 176.932 1.136 1
1 304 . 18 1 1 A 31 31 HIS CA C 31 59.324 58.718 0.606 1
1 305 . 18 1 1 A 31 31 HIS CB C 31 28.585 30.368 -1.783 1
1 308 . 18 1 1 A 31 31 HIS N N 31 119.473 119.025 0.448 1
1 309 . 18 1 1 A 32 32 GLN H H 32 9.000 7.888 1.112 1
1 310 . 18 1 1 A 32 32 GLN HA H 32 3.726 4.135 -0.409 1
1 317 . 18 1 1 A 32 32 GLN C C 32 178.082 178.832 -0.750 1
1 318 . 18 1 1 A 32 32 GLN CA C 32 59.828 57.941 1.887 1
1 319 . 18 1 1 A 32 32 GLN CB C 32 28.009 28.575 -0.566 1
1 321 . 18 1 1 A 32 32 GLN N N 32 120.303 118.412 1.891 1
1 323 . 18 1 1 A 33 33 ARG H H 33 7.300 7.899 -0.599 1
1 324 . 18 1 1 A 33 33 ARG HA H 33 4.192 4.060 0.132 1
1 331 . 18 1 1 A 33 33 ARG C C 33 178.428 179.340 -0.912 1
1 332 . 18 1 1 A 33 33 ARG CA C 33 58.472 59.327 -0.855 1
1 333 . 18 1 1 A 33 33 ARG CB C 33 29.899 29.848 0.051 1
1 336 . 18 1 1 A 33 33 ARG N N 33 117.936 120.371 -2.435 1
1 337 . 18 1 1 A 34 34 THR H H 34 7.787 7.741 0.046 1
1 338 . 18 1 1 A 34 34 THR HA H 34 4.127 3.926 0.201 1
1 343 . 18 1 1 A 34 34 THR C C 34 175.625 177.008 -1.383 1
1 344 . 18 1 1 A 34 34 THR CA C 34 64.023 65.411 -1.388 1
1 345 . 18 1 1 A 34 34 THR CB C 34 69.314 68.190 1.124 1
1 347 . 18 1 1 A 34 34 THR N N 34 109.902 114.424 -4.522 1
1 348 . 18 1 1 A 35 35 HIS H H 35 7.100 7.861 -0.761 1
1 349 . 18 1 1 A 35 35 HIS HA H 35 4.859 4.272 0.587 1
1 354 . 18 1 1 A 35 35 HIS C C 35 175.369 175.558 -0.189 1
1 355 . 18 1 1 A 35 35 HIS CA C 35 55.421 59.524 -4.103 1
1 356 . 18 1 1 A 35 35 HIS CB C 35 28.730 29.744 -1.014 1
1 359 . 18 1 1 A 35 35 HIS N N 35 118.308 117.515 0.793 1
1 360 . 18 1 1 A 36 36 SER H H 36 7.832 7.541 0.291 1
1 361 . 18 1 1 A 36 36 SER HA H 36 4.488 4.289 0.199 1
1 364 . 18 1 1 A 36 36 SER C C 36 175.116 175.734 -0.618 1
1 365 . 18 1 1 A 36 36 SER CA C 36 58.823 59.163 -0.340 1
1 366 . 18 1 1 A 36 36 SER CB C 36 63.948 63.485 0.463 1
1 367 . 18 1 1 A 36 36 SER N N 36 114.683 113.273 1.410 1
1 368 . 18 1 1 A 37 37 GLY H H 37 8.324 8.669 -0.345 1
1 369 . 18 1 1 A 37 37 GLY HA2 H 37 4.012 3.847 0.165 1
1 370 . 18 1 1 A 37 37 GLY HA3 H 37 4.012 3.850 0.162 1
1 371 . 18 1 1 A 37 37 GLY C C 37 174.303 174.395 -0.092 1
1 372 . 18 1 1 A 37 37 GLY CA C 37 45.417 47.492 -2.075 1
1 373 . 18 1 1 A 37 37 GLY N N 37 110.893 110.355 0.538 1
1 374 . 18 1 1 A 38 38 GLU H H 38 8.206 7.756 0.450 1
1 375 . 18 1 1 A 38 38 GLU HA H 38 4.331 4.908 -0.577 1
1 380 . 18 1 1 A 38 38 GLU C C 38 176.590 175.035 1.555 1
1 381 . 18 1 1 A 38 38 GLU CA C 38 56.589 54.717 1.872 1
1 382 . 18 1 1 A 38 38 GLU CB C 38 30.477 32.422 -1.945 1
1 384 . 18 1 1 A 38 38 GLU N N 38 120.603 114.141 6.462 1
1 385 . 18 1 1 A 39 39 SER H H 39 8.416 8.681 -0.265 1
1 386 . 18 1 1 A 39 39 SER HA H 39 4.490 4.732 -0.242 1
1 389 . 18 1 1 A 39 39 SER C C 39 174.575 173.807 0.768 1
1 390 . 18 1 1 A 39 39 SER CA C 39 58.289 57.224 1.065 1
1 391 . 18 1 1 A 39 39 SER CB C 39 63.935 63.515 0.420 1
1 392 . 18 1 1 A 39 39 SER N N 39 116.772 117.915 -1.143 1
1 393 . 18 1 1 A 40 40 GLY H H 40 8.240 7.778 0.462 1
1 394 . 18 1 1 A 40 40 GLY HA2 H 40 4.149 4.325 -0.176 1
1 395 . 18 1 1 A 40 40 GLY HA3 H 40 4.051 4.325 -0.274 1
1 396 . 18 1 1 A 40 40 GLY C C 40 171.726 171.783 -0.057 1
1 397 . 18 1 1 A 40 40 GLY CA C 40 44.662 45.536 -0.874 1
1 398 . 18 1 1 A 40 40 GLY N N 40 110.640 108.955 1.685 1
1 399 . 18 1 1 A 41 41 PRO HA H 41 4.481 4.500 -0.019 1
1 406 . 18 1 1 A 41 41 PRO C C 41 177.367 177.175 0.192 1
1 407 . 18 1 1 A 41 41 PRO CA C 41 63.234 62.862 0.372 1
1 408 . 18 1 1 A 41 41 PRO CB C 41 32.193 32.748 -0.555 1
1 411 . 18 1 1 A 42 42 SER H H 42 8.538 8.956 -0.418 1
1 412 . 18 1 1 A 42 42 SER C C 42 174.673 173.615 1.058 1
1 413 . 18 1 1 A 42 42 SER CA C 42 58.495 59.265 -0.770 1
1 414 . 18 1 1 A 42 42 SER CB C 42 64.033 61.696 2.337 1
1 1 . 19 1 1 A 7 7 GLY HA2 H 7 3.984 4.177 -0.193 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 3.984 4.178 -0.194 1
1 3 . 19 1 1 A 7 7 GLY C C 7 174.243 172.683 1.560 1
1 4 . 19 1 1 A 7 7 GLY CA C 7 45.345 45.713 -0.368 1
1 5 . 19 1 1 A 8 8 THR H H 8 8.056 8.618 -0.562 1
1 6 . 19 1 1 A 8 8 THR HA H 8 4.351 4.789 -0.438 1
1 11 . 19 1 1 A 8 8 THR C C 8 174.506 173.643 0.863 1
1 12 . 19 1 1 A 8 8 THR CA C 8 61.679 61.028 0.651 1
1 13 . 19 1 1 A 8 8 THR CB C 8 70.039 68.479 1.560 1
1 15 . 19 1 1 A 8 8 THR N N 8 114.027 117.879 -3.852 1
1 16 . 19 1 1 A 9 9 ARG H H 9 8.379 7.543 0.836 1
1 17 . 19 1 1 A 9 9 ARG HA H 9 4.291 4.789 -0.498 1
1 24 . 19 1 1 A 9 9 ARG C C 9 176.137 175.898 0.239 1
1 25 . 19 1 1 A 9 9 ARG CA C 9 56.291 54.593 1.698 1
1 26 . 19 1 1 A 9 9 ARG CB C 9 30.735 30.683 0.052 1
1 29 . 19 1 1 A 9 9 ARG N N 9 123.323 121.673 1.650 1
1 30 . 19 1 1 A 10 10 GLU H H 10 8.420 8.551 -0.131 1
1 31 . 19 1 1 A 10 10 GLU HA H 10 4.142 4.509 -0.367 1
1 36 . 19 1 1 A 10 10 GLU C C 10 176.102 176.825 -0.723 1
1 37 . 19 1 1 A 10 10 GLU CA C 10 57.284 56.002 1.282 1
1 38 . 19 1 1 A 10 10 GLU CB C 10 30.289 29.686 0.603 1
1 40 . 19 1 1 A 10 10 GLU N N 10 121.984 121.330 0.654 1
1 41 . 19 1 1 A 11 11 LYS H H 11 8.035 7.293 0.742 1
1 42 . 19 1 1 A 11 11 LYS HA H 11 4.545 4.410 0.135 1
1 51 . 19 1 1 A 11 11 LYS C C 11 173.979 176.646 -2.667 1
1 52 . 19 1 1 A 11 11 LYS CA C 11 53.589 55.045 -1.456 1
1 53 . 19 1 1 A 11 11 LYS CB C 11 33.028 32.020 1.008 1
1 57 . 19 1 1 A 11 11 LYS N N 11 120.453 122.787 -2.334 1
1 58 . 19 1 1 A 12 12 PRO HA H 12 4.290 4.329 -0.039 1
1 65 . 19 1 1 A 12 12 PRO C C 12 176.186 175.862 0.324 1
1 66 . 19 1 1 A 12 12 PRO CA C 12 63.385 65.048 -1.663 1
1 67 . 19 1 1 A 12 12 PRO CB C 12 32.283 31.784 0.499 1
1 70 . 19 1 1 A 13 13 TYR H H 13 8.036 7.484 0.552 1
1 71 . 19 1 1 A 13 13 TYR HA H 13 4.568 4.702 -0.134 1
1 78 . 19 1 1 A 13 13 TYR C C 13 174.612 176.406 -1.794 1
1 79 . 19 1 1 A 13 13 TYR CA C 13 57.760 58.195 -0.435 1
1 80 . 19 1 1 A 13 13 TYR CB C 13 38.387 40.097 -1.710 1
1 85 . 19 1 1 A 13 13 TYR N N 13 118.849 118.452 0.397 1
1 86 . 19 1 1 A 14 14 GLU H H 14 8.552 9.194 -0.642 1
1 87 . 19 1 1 A 14 14 GLU HA H 14 4.923 5.561 -0.638 1
1 92 . 19 1 1 A 14 14 GLU C C 14 175.204 175.503 -0.299 1
1 93 . 19 1 1 A 14 14 GLU CA C 14 54.910 54.822 0.088 1
1 94 . 19 1 1 A 14 14 GLU CB C 14 33.000 33.869 -0.869 1
1 96 . 19 1 1 A 14 14 GLU N N 14 123.988 121.187 2.801 1
1 97 . 19 1 1 A 15 15 CYS H H 15 9.288 9.025 0.263 1
1 98 . 19 1 1 A 15 15 CYS HA H 15 4.591 4.529 0.062 1
1 101 . 19 1 1 A 15 15 CYS C C 15 177.502 176.336 1.166 1
1 102 . 19 1 1 A 15 15 CYS CA C 15 59.594 59.724 -0.130 1
1 103 . 19 1 1 A 15 15 CYS CB C 15 29.754 28.718 1.036 1
1 104 . 19 1 1 A 15 15 CYS N N 15 126.830 124.158 2.672 1
1 105 . 19 1 1 A 16 16 SER H H 16 9.383 9.183 0.200 1
1 106 . 19 1 1 A 16 16 SER HA H 16 4.287 4.541 -0.254 1
1 109 . 19 1 1 A 16 16 SER C C 16 174.508 175.323 -0.815 1
1 110 . 19 1 1 A 16 16 SER CA C 16 60.955 59.045 1.910 1
1 111 . 19 1 1 A 16 16 SER CB C 16 63.100 63.089 0.011 1
1 112 . 19 1 1 A 16 16 SER N N 16 128.427 122.690 5.737 1
1 113 . 19 1 1 A 17 17 GLU H H 17 8.727 7.514 1.213 1
1 114 . 19 1 1 A 17 17 GLU HA H 17 4.258 4.283 -0.025 1
1 119 . 19 1 1 A 17 17 GLU C C 17 177.133 177.946 -0.813 1
1 120 . 19 1 1 A 17 17 GLU CA C 17 58.110 57.591 0.519 1
1 121 . 19 1 1 A 17 17 GLU CB C 17 29.738 30.271 -0.533 1
1 123 . 19 1 1 A 17 17 GLU N N 17 123.127 120.054 3.073 1
1 124 . 19 1 1 A 18 18 CYS H H 18 7.939 7.980 -0.041 1
1 125 . 19 1 1 A 18 18 CYS HA H 18 5.177 4.682 0.495 1
1 128 . 19 1 1 A 18 18 CYS C C 18 176.246 175.544 0.702 1
1 129 . 19 1 1 A 18 18 CYS CA C 18 58.259 59.523 -1.264 1
1 130 . 19 1 1 A 18 18 CYS CB C 18 32.602 29.992 2.610 1
1 131 . 19 1 1 A 18 18 CYS N N 18 114.781 114.515 0.266 1
1 132 . 19 1 1 A 19 19 GLY H H 19 8.186 7.988 0.198 1
1 133 . 19 1 1 A 19 19 GLY HA2 H 19 4.233 4.078 0.155 1
1 134 . 19 1 1 A 19 19 GLY HA3 H 19 3.870 4.093 -0.223 1
1 135 . 19 1 1 A 19 19 GLY C C 19 173.749 174.602 -0.853 1
1 136 . 19 1 1 A 19 19 GLY CA C 19 46.118 45.025 1.093 1
1 137 . 19 1 1 A 19 19 GLY N N 19 113.365 110.121 3.244 1
1 138 . 19 1 1 A 20 20 LYS H H 20 8.006 7.598 0.408 1
1 139 . 19 1 1 A 20 20 LYS HA H 20 3.923 4.172 -0.249 1
1 148 . 19 1 1 A 20 20 LYS C C 20 173.687 175.244 -1.557 1
1 149 . 19 1 1 A 20 20 LYS CA C 20 58.226 56.183 2.043 1
1 150 . 19 1 1 A 20 20 LYS CB C 20 33.596 33.166 0.430 1
1 154 . 19 1 1 A 20 20 LYS N N 20 123.138 122.566 0.572 1
1 155 . 19 1 1 A 21 21 ALA H H 21 7.748 7.786 -0.038 1
1 156 . 19 1 1 A 21 21 ALA HA H 21 5.177 5.684 -0.507 1
1 160 . 19 1 1 A 21 21 ALA C C 21 176.281 175.136 1.145 1
1 161 . 19 1 1 A 21 21 ALA CA C 21 50.328 50.173 0.155 1
1 162 . 19 1 1 A 21 21 ALA CB C 21 22.412 23.959 -1.547 1
1 163 . 19 1 1 A 21 21 ALA N N 21 123.859 124.097 -0.238 1
1 164 . 19 1 1 A 22 22 PHE H H 22 8.670 8.938 -0.268 1
1 165 . 19 1 1 A 22 22 PHE HA H 22 4.744 4.972 -0.228 1
1 173 . 19 1 1 A 22 22 PHE C C 22 175.220 175.724 -0.504 1
1 174 . 19 1 1 A 22 22 PHE CA C 22 57.170 56.572 0.598 1
1 175 . 19 1 1 A 22 22 PHE CB C 22 43.555 43.410 0.145 1
1 181 . 19 1 1 A 22 22 PHE N N 22 117.277 115.732 1.545 1
1 182 . 19 1 1 A 23 23 ILE H H 23 8.681 8.739 -0.058 1
1 183 . 19 1 1 A 23 23 ILE HA H 23 4.317 4.288 0.029 1
1 193 . 19 1 1 A 23 23 ILE C C 23 175.969 176.540 -0.571 1
1 194 . 19 1 1 A 23 23 ILE CA C 23 63.252 62.773 0.479 1
1 195 . 19 1 1 A 23 23 ILE CB C 23 38.840 38.722 0.118 1
1 199 . 19 1 1 A 23 23 ILE N N 23 119.186 120.978 -1.792 1
1 200 . 19 1 1 A 24 24 ARG H H 24 7.716 7.637 0.079 1
1 201 . 19 1 1 A 24 24 ARG HA H 24 4.794 4.571 0.223 1
1 208 . 19 1 1 A 24 24 ARG C C 24 176.531 175.475 1.056 1
1 209 . 19 1 1 A 24 24 ARG CA C 24 53.902 54.039 -0.137 1
1 210 . 19 1 1 A 24 24 ARG CB C 24 33.380 33.015 0.365 1
1 213 . 19 1 1 A 24 24 ARG N N 24 115.336 120.334 -4.998 1
1 214 . 19 1 1 A 25 25 ASN H H 25 8.492 7.997 0.495 1
1 215 . 19 1 1 A 25 25 ASN HA H 25 3.587 3.382 0.205 1
1 220 . 19 1 1 A 25 25 ASN C C 25 177.332 176.858 0.474 1
1 221 . 19 1 1 A 25 25 ASN CA C 25 56.127 56.476 -0.349 1
1 222 . 19 1 1 A 25 25 ASN CB C 25 38.325 38.350 -0.025 1
1 223 . 19 1 1 A 25 25 ASN N N 25 124.604 122.310 2.294 1
1 225 . 19 1 1 A 26 26 SER HA H 26 3.868 4.005 -0.137 1
1 228 . 19 1 1 A 26 26 SER C C 26 176.671 176.826 -0.155 1
1 229 . 19 1 1 A 26 26 SER CA C 26 61.484 61.212 0.272 1
1 230 . 19 1 1 A 26 26 SER CB C 26 59.671 62.969 -3.298 1
1 231 . 19 1 1 A 26 26 SER N N 26 116.000 113.656 2.344 1
1 232 . 19 1 1 A 27 27 GLN H H 27 6.676 7.739 -1.063 1
1 233 . 19 1 1 A 27 27 GLN HA H 27 3.939 4.038 -0.099 1
1 240 . 19 1 1 A 27 27 GLN C C 27 178.435 178.148 0.287 1
1 241 . 19 1 1 A 27 27 GLN CA C 27 57.514 58.738 -1.224 1
1 242 . 19 1 1 A 27 27 GLN CB C 27 28.989 28.387 0.602 1
1 244 . 19 1 1 A 27 27 GLN N N 27 119.416 121.608 -2.192 1
1 246 . 19 1 1 A 28 28 LEU H H 28 6.916 7.425 -0.509 1
1 247 . 19 1 1 A 28 28 LEU HA H 28 3.284 1.921 1.363 1
1 257 . 19 1 1 A 28 28 LEU C C 28 177.490 178.362 -0.872 1
1 258 . 19 1 1 A 28 28 LEU CA C 28 57.911 57.233 0.678 1
1 259 . 19 1 1 A 28 28 LEU CB C 28 40.185 41.154 -0.969 1
1 263 . 19 1 1 A 28 28 LEU N N 28 122.389 120.879 1.510 1
1 264 . 19 1 1 A 29 29 ILE H H 29 7.971 7.968 0.003 1
1 265 . 19 1 1 A 29 29 ILE HA H 29 3.731 3.537 0.194 1
1 275 . 19 1 1 A 29 29 ILE C C 29 179.073 178.084 0.989 1
1 276 . 19 1 1 A 29 29 ILE CA C 29 64.438 65.348 -0.910 1
1 277 . 19 1 1 A 29 29 ILE CB C 29 37.464 37.638 -0.174 1
1 281 . 19 1 1 A 29 29 ILE N N 29 119.136 119.924 -0.788 1
1 282 . 19 1 1 A 30 30 VAL H H 30 7.101 7.651 -0.550 1
1 283 . 19 1 1 A 30 30 VAL HA H 30 3.510 3.687 -0.177 1
1 291 . 19 1 1 A 30 30 VAL C C 30 178.913 178.308 0.605 1
1 292 . 19 1 1 A 30 30 VAL CA C 30 66.454 66.306 0.148 1
1 293 . 19 1 1 A 30 30 VAL CB C 30 31.972 31.492 0.480 1
1 296 . 19 1 1 A 30 30 VAL N N 30 118.445 119.997 -1.552 1
1 297 . 19 1 1 A 31 31 HIS H H 31 7.640 8.088 -0.448 1
1 298 . 19 1 1 A 31 31 HIS HA H 31 4.227 4.280 -0.053 1
1 303 . 19 1 1 A 31 31 HIS C C 31 178.068 176.975 1.093 1
1 304 . 19 1 1 A 31 31 HIS CA C 31 59.324 58.932 0.392 1
1 305 . 19 1 1 A 31 31 HIS CB C 31 28.585 30.428 -1.843 1
1 308 . 19 1 1 A 31 31 HIS N N 31 119.473 119.043 0.430 1
1 309 . 19 1 1 A 32 32 GLN H H 32 9.000 7.852 1.148 1
1 310 . 19 1 1 A 32 32 GLN HA H 32 3.726 4.146 -0.420 1
1 317 . 19 1 1 A 32 32 GLN C C 32 178.082 178.566 -0.484 1
1 318 . 19 1 1 A 32 32 GLN CA C 32 59.828 57.998 1.830 1
1 319 . 19 1 1 A 32 32 GLN CB C 32 28.009 28.220 -0.211 1
1 321 . 19 1 1 A 32 32 GLN N N 32 120.303 118.436 1.867 1
1 323 . 19 1 1 A 33 33 ARG H H 33 7.300 7.952 -0.652 1
1 324 . 19 1 1 A 33 33 ARG HA H 33 4.192 4.039 0.153 1
1 331 . 19 1 1 A 33 33 ARG C C 33 178.428 179.237 -0.809 1
1 332 . 19 1 1 A 33 33 ARG CA C 33 58.472 59.430 -0.958 1
1 333 . 19 1 1 A 33 33 ARG CB C 33 29.899 29.966 -0.067 1
1 336 . 19 1 1 A 33 33 ARG N N 33 117.936 120.779 -2.843 1
1 337 . 19 1 1 A 34 34 THR H H 34 7.787 7.703 0.084 1
1 338 . 19 1 1 A 34 34 THR HA H 34 4.127 3.965 0.162 1
1 343 . 19 1 1 A 34 34 THR C C 34 175.625 176.937 -1.312 1
1 344 . 19 1 1 A 34 34 THR CA C 34 64.023 65.436 -1.413 1
1 345 . 19 1 1 A 34 34 THR CB C 34 69.314 68.174 1.140 1
1 347 . 19 1 1 A 34 34 THR N N 34 109.902 114.423 -4.521 1
1 348 . 19 1 1 A 35 35 HIS H H 35 7.100 7.758 -0.658 1
1 349 . 19 1 1 A 35 35 HIS HA H 35 4.859 4.300 0.559 1
1 354 . 19 1 1 A 35 35 HIS C C 35 175.369 175.995 -0.626 1
1 355 . 19 1 1 A 35 35 HIS CA C 35 55.421 59.298 -3.877 1
1 356 . 19 1 1 A 35 35 HIS CB C 35 28.730 30.232 -1.502 1
1 359 . 19 1 1 A 35 35 HIS N N 35 118.308 118.549 -0.241 1
1 360 . 19 1 1 A 36 36 SER H H 36 7.832 7.810 0.022 1
1 361 . 19 1 1 A 36 36 SER HA H 36 4.488 4.212 0.276 1
1 364 . 19 1 1 A 36 36 SER C C 36 175.116 173.803 1.313 1
1 365 . 19 1 1 A 36 36 SER CA C 36 58.823 59.505 -0.682 1
1 366 . 19 1 1 A 36 36 SER CB C 36 63.948 63.641 0.307 1
1 367 . 19 1 1 A 36 36 SER N N 36 114.683 114.743 -0.060 1
1 368 . 19 1 1 A 37 37 GLY H H 37 8.324 8.397 -0.073 1
1 369 . 19 1 1 A 37 37 GLY HA2 H 37 4.012 4.202 -0.190 1
1 370 . 19 1 1 A 37 37 GLY HA3 H 37 4.012 4.202 -0.190 1
1 371 . 19 1 1 A 37 37 GLY C C 37 174.303 173.757 0.546 1
1 372 . 19 1 1 A 37 37 GLY CA C 37 45.417 45.455 -0.038 1
1 373 . 19 1 1 A 37 37 GLY N N 37 110.893 113.051 -2.158 1
1 374 . 19 1 1 A 38 38 GLU H H 38 8.206 8.736 -0.530 1
1 375 . 19 1 1 A 38 38 GLU HA H 38 4.331 3.929 0.402 1
1 380 . 19 1 1 A 38 38 GLU C C 38 176.590 176.028 0.562 1
1 381 . 19 1 1 A 38 38 GLU CA C 38 56.589 57.234 -0.645 1
1 382 . 19 1 1 A 38 38 GLU CB C 38 30.477 27.306 3.171 1
1 384 . 19 1 1 A 38 38 GLU N N 38 120.603 126.244 -5.641 1
1 385 . 19 1 1 A 39 39 SER H H 39 8.416 8.012 0.404 1
1 386 . 19 1 1 A 39 39 SER HA H 39 4.490 4.452 0.038 1
1 389 . 19 1 1 A 39 39 SER C C 39 174.575 174.588 -0.013 1
1 390 . 19 1 1 A 39 39 SER CA C 39 58.289 60.784 -2.495 1
1 391 . 19 1 1 A 39 39 SER CB C 39 63.935 64.260 -0.325 1
1 392 . 19 1 1 A 39 39 SER N N 39 116.772 113.600 3.172 1
1 393 . 19 1 1 A 40 40 GLY H H 40 8.240 7.933 0.307 1
1 394 . 19 1 1 A 40 40 GLY HA2 H 40 4.149 4.135 0.014 1
1 395 . 19 1 1 A 40 40 GLY HA3 H 40 4.051 4.136 -0.085 1
1 396 . 19 1 1 A 40 40 GLY C C 40 171.726 174.594 -2.868 1
1 397 . 19 1 1 A 40 40 GLY CA C 40 44.662 44.079 0.583 1
1 398 . 19 1 1 A 40 40 GLY N N 40 110.640 108.404 2.236 1
1 399 . 19 1 1 A 41 41 PRO HA H 41 4.481 4.551 -0.070 1
1 406 . 19 1 1 A 41 41 PRO C C 41 177.367 176.410 0.957 1
1 407 . 19 1 1 A 41 41 PRO CA C 41 63.234 63.636 -0.402 1
1 408 . 19 1 1 A 41 41 PRO CB C 41 32.193 31.897 0.296 1
1 411 . 19 1 1 A 42 42 SER H H 42 8.538 7.909 0.629 1
1 412 . 19 1 1 A 42 42 SER C C 42 174.673 174.386 0.287 1
1 413 . 19 1 1 A 42 42 SER CA C 42 58.495 59.836 -1.341 1
1 414 . 19 1 1 A 42 42 SER CB C 42 64.033 63.726 0.307 1
1 1 . 20 1 1 A 7 7 GLY HA2 H 7 3.984 4.089 -0.105 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 3.984 4.090 -0.106 1
1 3 . 20 1 1 A 7 7 GLY C C 7 174.243 171.897 2.346 1
1 4 . 20 1 1 A 7 7 GLY CA C 7 45.345 46.158 -0.813 1
1 5 . 20 1 1 A 8 8 THR H H 8 8.056 8.276 -0.220 1
1 6 . 20 1 1 A 8 8 THR HA H 8 4.351 4.786 -0.435 1
1 11 . 20 1 1 A 8 8 THR C C 8 174.506 174.275 0.231 1
1 12 . 20 1 1 A 8 8 THR CA C 8 61.679 59.940 1.739 1
1 13 . 20 1 1 A 8 8 THR CB C 8 70.039 70.848 -0.809 1
1 15 . 20 1 1 A 8 8 THR N N 8 114.027 118.102 -4.075 1
1 16 . 20 1 1 A 9 9 ARG H H 9 8.379 8.478 -0.099 1
1 17 . 20 1 1 A 9 9 ARG HA H 9 4.291 4.208 0.083 1
1 24 . 20 1 1 A 9 9 ARG C C 9 176.137 176.012 0.125 1
1 25 . 20 1 1 A 9 9 ARG CA C 9 56.291 57.087 -0.796 1
1 26 . 20 1 1 A 9 9 ARG CB C 9 30.735 30.692 0.043 1
1 29 . 20 1 1 A 9 9 ARG N N 9 123.323 124.842 -1.519 1
1 30 . 20 1 1 A 10 10 GLU H H 10 8.420 8.963 -0.543 1
1 31 . 20 1 1 A 10 10 GLU HA H 10 4.142 4.529 -0.387 1
1 36 . 20 1 1 A 10 10 GLU C C 10 176.102 176.513 -0.411 1
1 37 . 20 1 1 A 10 10 GLU CA C 10 57.284 57.556 -0.272 1
1 38 . 20 1 1 A 10 10 GLU CB C 10 30.289 31.117 -0.828 1
1 40 . 20 1 1 A 10 10 GLU N N 10 121.984 124.030 -2.046 1
1 41 . 20 1 1 A 11 11 LYS H H 11 8.035 7.395 0.640 1
1 42 . 20 1 1 A 11 11 LYS HA H 11 4.545 4.502 0.043 1
1 51 . 20 1 1 A 11 11 LYS C C 11 173.979 176.417 -2.438 1
1 52 . 20 1 1 A 11 11 LYS CA C 11 53.589 53.767 -0.178 1
1 53 . 20 1 1 A 11 11 LYS CB C 11 33.028 32.456 0.572 1
1 57 . 20 1 1 A 11 11 LYS N N 11 120.453 118.735 1.718 1
1 58 . 20 1 1 A 12 12 PRO HA H 12 4.290 4.329 -0.039 1
1 65 . 20 1 1 A 12 12 PRO C C 12 176.186 176.009 0.177 1
1 66 . 20 1 1 A 12 12 PRO CA C 12 63.385 65.072 -1.687 1
1 67 . 20 1 1 A 12 12 PRO CB C 12 32.283 31.672 0.611 1
1 70 . 20 1 1 A 13 13 TYR H H 13 8.036 7.252 0.784 1
1 71 . 20 1 1 A 13 13 TYR HA H 13 4.568 4.712 -0.144 1
1 78 . 20 1 1 A 13 13 TYR C C 13 174.612 176.506 -1.894 1
1 79 . 20 1 1 A 13 13 TYR CA C 13 57.760 58.576 -0.816 1
1 80 . 20 1 1 A 13 13 TYR CB C 13 38.387 39.371 -0.984 1
1 85 . 20 1 1 A 13 13 TYR N N 13 118.849 118.262 0.587 1
1 86 . 20 1 1 A 14 14 GLU H H 14 8.552 9.140 -0.588 1
1 87 . 20 1 1 A 14 14 GLU HA H 14 4.923 5.513 -0.590 1
1 92 . 20 1 1 A 14 14 GLU C C 14 175.204 175.539 -0.335 1
1 93 . 20 1 1 A 14 14 GLU CA C 14 54.910 54.302 0.608 1
1 94 . 20 1 1 A 14 14 GLU CB C 14 33.000 33.476 -0.476 1
1 96 . 20 1 1 A 14 14 GLU N N 14 123.988 122.242 1.746 1
1 97 . 20 1 1 A 15 15 CYS H H 15 9.288 9.011 0.277 1
1 98 . 20 1 1 A 15 15 CYS HA H 15 4.591 4.584 0.007 1
1 101 . 20 1 1 A 15 15 CYS C C 15 177.502 176.240 1.262 1
1 102 . 20 1 1 A 15 15 CYS CA C 15 59.594 59.565 0.029 1
1 103 . 20 1 1 A 15 15 CYS CB C 15 29.754 28.311 1.443 1
1 104 . 20 1 1 A 15 15 CYS N N 15 126.830 124.364 2.466 1
1 105 . 20 1 1 A 16 16 SER H H 16 9.383 9.160 0.223 1
1 106 . 20 1 1 A 16 16 SER HA H 16 4.287 4.609 -0.322 1
1 109 . 20 1 1 A 16 16 SER C C 16 174.508 175.156 -0.648 1
1 110 . 20 1 1 A 16 16 SER CA C 16 60.955 58.765 2.190 1
1 111 . 20 1 1 A 16 16 SER CB C 16 63.100 63.057 0.043 1
1 112 . 20 1 1 A 16 16 SER N N 16 128.427 122.823 5.604 1
1 113 . 20 1 1 A 17 17 GLU H H 17 8.727 7.827 0.900 1
1 114 . 20 1 1 A 17 17 GLU HA H 17 4.258 4.405 -0.147 1
1 119 . 20 1 1 A 17 17 GLU C C 17 177.133 177.987 -0.854 1
1 120 . 20 1 1 A 17 17 GLU CA C 17 58.110 57.115 0.995 1
1 121 . 20 1 1 A 17 17 GLU CB C 17 29.738 30.920 -1.182 1
1 123 . 20 1 1 A 17 17 GLU N N 17 123.127 120.385 2.742 1
1 124 . 20 1 1 A 18 18 CYS H H 18 7.939 7.959 -0.020 1
1 125 . 20 1 1 A 18 18 CYS HA H 18 5.177 4.659 0.518 1
1 128 . 20 1 1 A 18 18 CYS C C 18 176.246 175.553 0.693 1
1 129 . 20 1 1 A 18 18 CYS CA C 18 58.259 59.448 -1.189 1
1 130 . 20 1 1 A 18 18 CYS CB C 18 32.602 30.102 2.500 1
1 131 . 20 1 1 A 18 18 CYS N N 18 114.781 114.459 0.322 1
1 132 . 20 1 1 A 19 19 GLY H H 19 8.186 8.011 0.175 1
1 133 . 20 1 1 A 19 19 GLY HA2 H 19 4.233 4.053 0.180 1
1 134 . 20 1 1 A 19 19 GLY HA3 H 19 3.870 4.060 -0.190 1
1 135 . 20 1 1 A 19 19 GLY C C 19 173.749 174.572 -0.823 1
1 136 . 20 1 1 A 19 19 GLY CA C 19 46.118 44.978 1.140 1
1 137 . 20 1 1 A 19 19 GLY N N 19 113.365 110.031 3.334 1
1 138 . 20 1 1 A 20 20 LYS H H 20 8.006 7.544 0.462 1
1 139 . 20 1 1 A 20 20 LYS HA H 20 3.923 4.139 -0.216 1
1 148 . 20 1 1 A 20 20 LYS C C 20 173.687 175.344 -1.657 1
1 149 . 20 1 1 A 20 20 LYS CA C 20 58.226 56.174 2.052 1
1 150 . 20 1 1 A 20 20 LYS CB C 20 33.596 33.221 0.375 1
1 154 . 20 1 1 A 20 20 LYS N N 20 123.138 122.551 0.587 1
1 155 . 20 1 1 A 21 21 ALA H H 21 7.748 8.003 -0.255 1
1 156 . 20 1 1 A 21 21 ALA HA H 21 5.177 5.655 -0.478 1
1 160 . 20 1 1 A 21 21 ALA C C 21 176.281 175.199 1.082 1
1 161 . 20 1 1 A 21 21 ALA CA C 21 50.328 50.309 0.019 1
1 162 . 20 1 1 A 21 21 ALA CB C 21 22.412 23.775 -1.363 1
1 163 . 20 1 1 A 21 21 ALA N N 21 123.859 124.493 -0.634 1
1 164 . 20 1 1 A 22 22 PHE H H 22 8.670 9.015 -0.345 1
1 165 . 20 1 1 A 22 22 PHE HA H 22 4.744 5.045 -0.301 1
1 173 . 20 1 1 A 22 22 PHE C C 22 175.220 175.447 -0.227 1
1 174 . 20 1 1 A 22 22 PHE CA C 22 57.170 56.616 0.554 1
1 175 . 20 1 1 A 22 22 PHE CB C 22 43.555 43.890 -0.335 1
1 181 . 20 1 1 A 22 22 PHE N N 22 117.277 116.193 1.084 1
1 182 . 20 1 1 A 23 23 ILE H H 23 8.681 8.287 0.394 1
1 183 . 20 1 1 A 23 23 ILE HA H 23 4.317 4.326 -0.009 1
1 193 . 20 1 1 A 23 23 ILE C C 23 175.969 176.242 -0.273 1
1 194 . 20 1 1 A 23 23 ILE CA C 23 63.252 62.454 0.798 1
1 195 . 20 1 1 A 23 23 ILE CB C 23 38.840 38.630 0.210 1
1 199 . 20 1 1 A 23 23 ILE N N 23 119.186 120.434 -1.248 1
1 200 . 20 1 1 A 24 24 ARG H H 24 7.716 7.857 -0.141 1
1 201 . 20 1 1 A 24 24 ARG HA H 24 4.794 4.605 0.189 1
1 208 . 20 1 1 A 24 24 ARG C C 24 176.531 175.451 1.080 1
1 209 . 20 1 1 A 24 24 ARG CA C 24 53.902 54.001 -0.099 1
1 210 . 20 1 1 A 24 24 ARG CB C 24 33.380 32.845 0.535 1
1 213 . 20 1 1 A 24 24 ARG N N 24 115.336 120.617 -5.281 1
1 214 . 20 1 1 A 25 25 ASN H H 25 8.492 8.159 0.333 1
1 215 . 20 1 1 A 25 25 ASN HA H 25 3.587 3.273 0.314 1
1 220 . 20 1 1 A 25 25 ASN C C 25 177.332 176.847 0.485 1
1 221 . 20 1 1 A 25 25 ASN CA C 25 56.127 56.468 -0.341 1
1 222 . 20 1 1 A 25 25 ASN CB C 25 38.325 38.262 0.063 1
1 223 . 20 1 1 A 25 25 ASN N N 25 124.604 122.772 1.832 1
1 225 . 20 1 1 A 26 26 SER HA H 26 3.868 4.052 -0.184 1
1 228 . 20 1 1 A 26 26 SER C C 26 176.671 176.417 0.254 1
1 229 . 20 1 1 A 26 26 SER CA C 26 61.484 61.747 -0.263 1
1 230 . 20 1 1 A 26 26 SER CB C 26 59.671 62.880 -3.209 1
1 231 . 20 1 1 A 26 26 SER N N 26 116.000 115.247 0.753 1
1 232 . 20 1 1 A 27 27 GLN H H 27 6.676 7.878 -1.202 1
1 233 . 20 1 1 A 27 27 GLN HA H 27 3.939 3.893 0.046 1
1 240 . 20 1 1 A 27 27 GLN C C 27 178.435 177.721 0.714 1
1 241 . 20 1 1 A 27 27 GLN CA C 27 57.514 58.712 -1.198 1
1 242 . 20 1 1 A 27 27 GLN CB C 27 28.989 28.298 0.691 1
1 244 . 20 1 1 A 27 27 GLN N N 27 119.416 121.151 -1.735 1
1 246 . 20 1 1 A 28 28 LEU H H 28 6.916 7.512 -0.596 1
1 247 . 20 1 1 A 28 28 LEU HA H 28 3.284 2.531 0.753 1
1 257 . 20 1 1 A 28 28 LEU C C 28 177.490 178.362 -0.872 1
1 258 . 20 1 1 A 28 28 LEU CA C 28 57.911 57.724 0.187 1
1 259 . 20 1 1 A 28 28 LEU CB C 28 40.185 41.374 -1.189 1
1 263 . 20 1 1 A 28 28 LEU N N 28 122.389 121.098 1.291 1
1 264 . 20 1 1 A 29 29 ILE H H 29 7.971 7.933 0.038 1
1 265 . 20 1 1 A 29 29 ILE HA H 29 3.731 3.545 0.186 1
1 275 . 20 1 1 A 29 29 ILE C C 29 179.073 178.083 0.990 1
1 276 . 20 1 1 A 29 29 ILE CA C 29 64.438 65.349 -0.911 1
1 277 . 20 1 1 A 29 29 ILE CB C 29 37.464 37.647 -0.183 1
1 281 . 20 1 1 A 29 29 ILE N N 29 119.136 119.767 -0.631 1
1 282 . 20 1 1 A 30 30 VAL H H 30 7.101 7.708 -0.607 1
1 283 . 20 1 1 A 30 30 VAL HA H 30 3.510 3.679 -0.169 1
1 291 . 20 1 1 A 30 30 VAL C C 30 178.913 177.582 1.331 1
1 292 . 20 1 1 A 30 30 VAL CA C 30 66.454 66.186 0.268 1
1 293 . 20 1 1 A 30 30 VAL CB C 30 31.972 31.562 0.410 1
1 296 . 20 1 1 A 30 30 VAL N N 30 118.445 119.915 -1.470 1
1 297 . 20 1 1 A 31 31 HIS H H 31 7.640 7.738 -0.098 1
1 298 . 20 1 1 A 31 31 HIS HA H 31 4.227 4.315 -0.088 1
1 303 . 20 1 1 A 31 31 HIS C C 31 178.068 177.106 0.962 1
1 304 . 20 1 1 A 31 31 HIS CA C 31 59.324 58.271 1.053 1
1 305 . 20 1 1 A 31 31 HIS CB C 31 28.585 30.482 -1.897 1
1 308 . 20 1 1 A 31 31 HIS N N 31 119.473 119.582 -0.109 1
1 309 . 20 1 1 A 32 32 GLN H H 32 9.000 7.869 1.131 1
1 310 . 20 1 1 A 32 32 GLN HA H 32 3.726 4.219 -0.493 1
1 317 . 20 1 1 A 32 32 GLN C C 32 178.082 178.552 -0.470 1
1 318 . 20 1 1 A 32 32 GLN CA C 32 59.828 57.736 2.092 1
1 319 . 20 1 1 A 32 32 GLN CB C 32 28.009 28.687 -0.678 1
1 321 . 20 1 1 A 32 32 GLN N N 32 120.303 118.254 2.049 1
1 323 . 20 1 1 A 33 33 ARG H H 33 7.300 7.922 -0.622 1
1 324 . 20 1 1 A 33 33 ARG HA H 33 4.192 4.073 0.119 1
1 331 . 20 1 1 A 33 33 ARG C C 33 178.428 178.821 -0.393 1
1 332 . 20 1 1 A 33 33 ARG CA C 33 58.472 59.389 -0.917 1
1 333 . 20 1 1 A 33 33 ARG CB C 33 29.899 30.094 -0.195 1
1 336 . 20 1 1 A 33 33 ARG N N 33 117.936 120.264 -2.328 1
1 337 . 20 1 1 A 34 34 THR H H 34 7.787 7.835 -0.048 1
1 338 . 20 1 1 A 34 34 THR HA H 34 4.127 3.942 0.185 1
1 343 . 20 1 1 A 34 34 THR C C 34 175.625 176.063 -0.438 1
1 344 . 20 1 1 A 34 34 THR CA C 34 64.023 65.022 -0.999 1
1 345 . 20 1 1 A 34 34 THR CB C 34 69.314 68.621 0.693 1
1 347 . 20 1 1 A 34 34 THR N N 34 109.902 114.712 -4.810 1
1 348 . 20 1 1 A 35 35 HIS H H 35 7.100 7.912 -0.812 1
1 349 . 20 1 1 A 35 35 HIS HA H 35 4.859 4.618 0.241 1
1 354 . 20 1 1 A 35 35 HIS C C 35 175.369 176.103 -0.734 1
1 355 . 20 1 1 A 35 35 HIS CA C 35 55.421 57.052 -1.631 1
1 356 . 20 1 1 A 35 35 HIS CB C 35 28.730 28.815 -0.085 1
1 359 . 20 1 1 A 35 35 HIS N N 35 118.308 118.419 -0.111 1
1 360 . 20 1 1 A 36 36 SER H H 36 7.832 7.752 0.080 1
1 361 . 20 1 1 A 36 36 SER HA H 36 4.488 4.193 0.295 1
1 364 . 20 1 1 A 36 36 SER C C 36 175.116 175.183 -0.067 1
1 365 . 20 1 1 A 36 36 SER CA C 36 58.823 61.189 -2.366 1
1 366 . 20 1 1 A 36 36 SER CB C 36 63.948 63.033 0.915 1
1 367 . 20 1 1 A 36 36 SER N N 36 114.683 115.037 -0.354 1
1 368 . 20 1 1 A 37 37 GLY H H 37 8.324 7.929 0.395 1
1 369 . 20 1 1 A 37 37 GLY HA2 H 37 4.012 3.935 0.077 1
1 370 . 20 1 1 A 37 37 GLY HA3 H 37 4.012 3.945 0.067 1
1 371 . 20 1 1 A 37 37 GLY C C 37 174.303 172.345 1.958 1
1 372 . 20 1 1 A 37 37 GLY CA C 37 45.417 46.456 -1.039 1
1 373 . 20 1 1 A 37 37 GLY N N 37 110.893 107.680 3.213 1
1 374 . 20 1 1 A 38 38 GLU H H 38 8.206 8.818 -0.612 1
1 375 . 20 1 1 A 38 38 GLU HA H 38 4.331 5.039 -0.708 1
1 380 . 20 1 1 A 38 38 GLU C C 38 176.590 175.538 1.052 1
1 381 . 20 1 1 A 38 38 GLU CA C 38 56.589 54.927 1.662 1
1 382 . 20 1 1 A 38 38 GLU CB C 38 30.477 33.130 -2.653 1
1 384 . 20 1 1 A 38 38 GLU N N 38 120.603 125.961 -5.358 1
1 385 . 20 1 1 A 39 39 SER H H 39 8.416 8.719 -0.303 1
1 386 . 20 1 1 A 39 39 SER HA H 39 4.490 4.548 -0.058 1
1 389 . 20 1 1 A 39 39 SER C C 39 174.575 173.361 1.214 1
1 390 . 20 1 1 A 39 39 SER CA C 39 58.289 58.445 -0.156 1
1 391 . 20 1 1 A 39 39 SER CB C 39 63.935 62.889 1.046 1
1 392 . 20 1 1 A 39 39 SER N N 39 116.772 121.238 -4.466 1
1 393 . 20 1 1 A 40 40 GLY H H 40 8.240 7.867 0.373 1
1 394 . 20 1 1 A 40 40 GLY HA2 H 40 4.149 4.158 -0.009 1
1 395 . 20 1 1 A 40 40 GLY HA3 H 40 4.051 4.161 -0.110 1
1 396 . 20 1 1 A 40 40 GLY C C 40 171.726 172.187 -0.461 1
1 397 . 20 1 1 A 40 40 GLY CA C 40 44.662 45.488 -0.826 1
1 398 . 20 1 1 A 40 40 GLY N N 40 110.640 113.672 -3.032 1
1 399 . 20 1 1 A 41 41 PRO HA H 41 4.481 4.703 -0.222 1
1 406 . 20 1 1 A 41 41 PRO C C 41 177.367 175.738 1.629 1
1 407 . 20 1 1 A 41 41 PRO CA C 41 63.234 62.388 0.846 1
1 408 . 20 1 1 A 41 41 PRO CB C 41 32.193 29.759 2.434 1
1 411 . 20 1 1 A 42 42 SER H H 42 8.538 8.460 0.078 1
1 412 . 20 1 1 A 42 42 SER C C 42 174.673 173.981 0.692 1
1 413 . 20 1 1 A 42 42 SER CA C 42 58.495 57.983 0.512 1
1 414 . 20 1 1 A 42 42 SER CB C 42 64.033 64.561 -0.528 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 36 1.134 1
2 1 1 1 "RMS(OBS, PRED)" CA 36 1.262 1
3 1 1 1 "RMS(OBS, PRED)" CB 32 1.212 1
4 1 1 1 "RMS(OBS, PRED)" H 32 0.514 1
5 1 1 1 "RMS(OBS, PRED)" HA 39 0.407 1
6 1 1 1 "RMS(OBS, PRED)" N 32 2.445 1
7 1 2 1 "RMS(OBS, PRED)" C 36 1.072 1
8 1 2 1 "RMS(OBS, PRED)" CA 36 1.380 1
9 1 2 1 "RMS(OBS, PRED)" CB 32 1.292 1
10 1 2 1 "RMS(OBS, PRED)" H 32 0.537 1
11 1 2 1 "RMS(OBS, PRED)" HA 39 0.345 1
12 1 2 1 "RMS(OBS, PRED)" N 32 2.340 1
13 1 3 1 "RMS(OBS, PRED)" C 36 1.018 1
14 1 3 1 "RMS(OBS, PRED)" CA 36 1.195 1
15 1 3 1 "RMS(OBS, PRED)" CB 32 1.222 1
16 1 3 1 "RMS(OBS, PRED)" H 32 0.503 1
17 1 3 1 "RMS(OBS, PRED)" HA 39 0.335 1
18 1 3 1 "RMS(OBS, PRED)" N 32 2.399 1
19 1 4 1 "RMS(OBS, PRED)" C 36 1.201 1
20 1 4 1 "RMS(OBS, PRED)" CA 36 1.246 1
21 1 4 1 "RMS(OBS, PRED)" CB 32 1.143 1
22 1 4 1 "RMS(OBS, PRED)" H 32 0.515 1
23 1 4 1 "RMS(OBS, PRED)" HA 39 0.395 1
24 1 4 1 "RMS(OBS, PRED)" N 32 2.868 1
25 1 5 1 "RMS(OBS, PRED)" C 36 1.182 1
26 1 5 1 "RMS(OBS, PRED)" CA 36 1.263 1
27 1 5 1 "RMS(OBS, PRED)" CB 32 1.242 1
28 1 5 1 "RMS(OBS, PRED)" H 32 0.526 1
29 1 5 1 "RMS(OBS, PRED)" HA 39 0.275 1
30 1 5 1 "RMS(OBS, PRED)" N 32 2.718 1
31 1 6 1 "RMS(OBS, PRED)" C 36 1.099 1
32 1 6 1 "RMS(OBS, PRED)" CA 36 1.260 1
33 1 6 1 "RMS(OBS, PRED)" CB 32 1.137 1
34 1 6 1 "RMS(OBS, PRED)" H 32 0.518 1
35 1 6 1 "RMS(OBS, PRED)" HA 39 0.309 1
36 1 6 1 "RMS(OBS, PRED)" N 32 2.526 1
37 1 7 1 "RMS(OBS, PRED)" C 36 1.123 1
38 1 7 1 "RMS(OBS, PRED)" CA 36 1.204 1
39 1 7 1 "RMS(OBS, PRED)" CB 32 1.212 1
40 1 7 1 "RMS(OBS, PRED)" H 32 0.526 1
41 1 7 1 "RMS(OBS, PRED)" HA 39 0.365 1
42 1 7 1 "RMS(OBS, PRED)" N 32 2.416 1
43 1 8 1 "RMS(OBS, PRED)" C 36 1.144 1
44 1 8 1 "RMS(OBS, PRED)" CA 36 1.604 1
45 1 8 1 "RMS(OBS, PRED)" CB 32 1.212 1
46 1 8 1 "RMS(OBS, PRED)" H 32 0.525 1
47 1 8 1 "RMS(OBS, PRED)" HA 39 0.281 1
48 1 8 1 "RMS(OBS, PRED)" N 32 2.603 1
49 1 9 1 "RMS(OBS, PRED)" C 36 1.004 1
50 1 9 1 "RMS(OBS, PRED)" CA 36 1.176 1
51 1 9 1 "RMS(OBS, PRED)" CB 32 1.178 1
52 1 9 1 "RMS(OBS, PRED)" H 32 0.476 1
53 1 9 1 "RMS(OBS, PRED)" HA 39 0.329 1
54 1 9 1 "RMS(OBS, PRED)" N 32 2.602 1
55 1 10 1 "RMS(OBS, PRED)" C 36 0.997 1
56 1 10 1 "RMS(OBS, PRED)" CA 36 1.264 1
57 1 10 1 "RMS(OBS, PRED)" CB 32 1.180 1
58 1 10 1 "RMS(OBS, PRED)" H 32 0.468 1
59 1 10 1 "RMS(OBS, PRED)" HA 39 0.364 1
60 1 10 1 "RMS(OBS, PRED)" N 32 2.820 1
61 1 11 1 "RMS(OBS, PRED)" C 36 1.242 1
62 1 11 1 "RMS(OBS, PRED)" CA 36 1.384 1
63 1 11 1 "RMS(OBS, PRED)" CB 32 1.293 1
64 1 11 1 "RMS(OBS, PRED)" H 32 0.495 1
65 1 11 1 "RMS(OBS, PRED)" HA 39 0.322 1
66 1 11 1 "RMS(OBS, PRED)" N 32 2.480 1
67 1 12 1 "RMS(OBS, PRED)" C 36 1.060 1
68 1 12 1 "RMS(OBS, PRED)" CA 36 1.323 1
69 1 12 1 "RMS(OBS, PRED)" CB 32 1.179 1
70 1 12 1 "RMS(OBS, PRED)" H 32 0.553 1
71 1 12 1 "RMS(OBS, PRED)" HA 39 0.383 1
72 1 12 1 "RMS(OBS, PRED)" N 32 2.697 1
73 1 13 1 "RMS(OBS, PRED)" C 36 1.129 1
74 1 13 1 "RMS(OBS, PRED)" CA 36 1.224 1
75 1 13 1 "RMS(OBS, PRED)" CB 32 1.170 1
76 1 13 1 "RMS(OBS, PRED)" H 32 0.549 1
77 1 13 1 "RMS(OBS, PRED)" HA 39 0.360 1
78 1 13 1 "RMS(OBS, PRED)" N 32 2.481 1
79 1 14 1 "RMS(OBS, PRED)" C 36 1.163 1
80 1 14 1 "RMS(OBS, PRED)" CA 36 1.395 1
81 1 14 1 "RMS(OBS, PRED)" CB 32 1.282 1
82 1 14 1 "RMS(OBS, PRED)" H 32 0.507 1
83 1 14 1 "RMS(OBS, PRED)" HA 39 0.327 1
84 1 14 1 "RMS(OBS, PRED)" N 32 2.766 1
85 1 15 1 "RMS(OBS, PRED)" C 36 1.052 1
86 1 15 1 "RMS(OBS, PRED)" CA 36 1.492 1
87 1 15 1 "RMS(OBS, PRED)" CB 32 1.209 1
88 1 15 1 "RMS(OBS, PRED)" H 32 0.489 1
89 1 15 1 "RMS(OBS, PRED)" HA 39 0.296 1
90 1 15 1 "RMS(OBS, PRED)" N 32 2.767 1
91 1 16 1 "RMS(OBS, PRED)" C 36 1.086 1
92 1 16 1 "RMS(OBS, PRED)" CA 36 1.337 1
93 1 16 1 "RMS(OBS, PRED)" CB 32 1.352 1
94 1 16 1 "RMS(OBS, PRED)" H 32 0.567 1
95 1 16 1 "RMS(OBS, PRED)" HA 39 0.368 1
96 1 16 1 "RMS(OBS, PRED)" N 32 2.558 1
97 1 17 1 "RMS(OBS, PRED)" C 36 1.036 1
98 1 17 1 "RMS(OBS, PRED)" CA 36 1.261 1
99 1 17 1 "RMS(OBS, PRED)" CB 32 1.275 1
100 1 17 1 "RMS(OBS, PRED)" H 32 0.588 1
101 1 17 1 "RMS(OBS, PRED)" HA 39 0.369 1
102 1 17 1 "RMS(OBS, PRED)" N 32 2.715 1
103 1 18 1 "RMS(OBS, PRED)" C 36 0.998 1
104 1 18 1 "RMS(OBS, PRED)" CA 36 1.342 1
105 1 18 1 "RMS(OBS, PRED)" CB 32 1.178 1
106 1 18 1 "RMS(OBS, PRED)" H 32 0.479 1
107 1 18 1 "RMS(OBS, PRED)" HA 39 0.359 1
108 1 18 1 "RMS(OBS, PRED)" N 32 2.666 1
109 1 19 1 "RMS(OBS, PRED)" C 36 1.093 1
110 1 19 1 "RMS(OBS, PRED)" CA 36 1.260 1
111 1 19 1 "RMS(OBS, PRED)" CB 32 1.251 1
112 1 19 1 "RMS(OBS, PRED)" H 32 0.552 1
113 1 19 1 "RMS(OBS, PRED)" HA 39 0.354 1
114 1 19 1 "RMS(OBS, PRED)" N 32 2.707 1
115 1 20 1 "RMS(OBS, PRED)" C 36 1.078 1
116 1 20 1 "RMS(OBS, PRED)" CA 36 1.142 1
117 1 20 1 "RMS(OBS, PRED)" CB 32 1.239 1
118 1 20 1 "RMS(OBS, PRED)" H 32 0.528 1
119 1 20 1 "RMS(OBS, PRED)" HA 39 0.298 1
120 1 20 1 "RMS(OBS, PRED)" N 32 2.720 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 7 7 GLY HA2 H 7 3.984 4.109 -0.125 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 3.984 4.112 -0.128 2
1 3 . 1 1 A 7 7 GLY C C 7 174.243 173.202 1.041 2
1 4 . 1 1 A 7 7 GLY CA C 7 45.345 45.283 0.062 2
1 5 . 1 1 A 8 8 THR H H 8 8.056 8.276 -0.220 2
1 6 . 1 1 A 8 8 THR HA H 8 4.351 4.708 -0.357 2
1 11 . 1 1 A 8 8 THR C C 8 174.506 173.816 0.690 2
1 12 . 1 1 A 8 8 THR CA C 8 61.679 61.466 0.213 2
1 13 . 1 1 A 8 8 THR CB C 8 70.039 70.098 -0.059 2
1 15 . 1 1 A 8 8 THR N N 8 114.027 115.763 -1.736 2
1 16 . 1 1 A 9 9 ARG H H 9 8.379 8.566 -0.187 2
1 17 . 1 1 A 9 9 ARG HA H 9 4.291 4.443 -0.152 2
1 24 . 1 1 A 9 9 ARG C C 9 176.137 176.202 -0.065 2
1 25 . 1 1 A 9 9 ARG CA C 9 56.291 55.665 0.626 2
1 26 . 1 1 A 9 9 ARG CB C 9 30.735 30.743 -0.008 2
1 29 . 1 1 A 9 9 ARG N N 9 123.323 125.116 -1.793 2
1 30 . 1 1 A 10 10 GLU H H 10 8.420 8.694 -0.273 2
1 31 . 1 1 A 10 10 GLU HA H 10 4.142 4.347 -0.205 2
1 36 . 1 1 A 10 10 GLU C C 10 176.102 176.570 -0.468 2
1 37 . 1 1 A 10 10 GLU CA C 10 57.284 57.603 -0.319 2
1 38 . 1 1 A 10 10 GLU CB C 10 30.289 30.203 0.087 2
1 40 . 1 1 A 10 10 GLU N N 10 121.984 123.339 -1.355 2
1 41 . 1 1 A 11 11 LYS H H 11 8.035 7.483 0.552 2
1 42 . 1 1 A 11 11 LYS HA H 11 4.545 4.502 0.043 2
1 51 . 1 1 A 11 11 LYS C C 11 173.979 176.498 -2.519 2
1 52 . 1 1 A 11 11 LYS CA C 11 53.589 54.311 -0.722 2
1 53 . 1 1 A 11 11 LYS CB C 11 33.028 32.440 0.589 2
1 57 . 1 1 A 11 11 LYS N N 11 120.453 120.037 0.416 2
1 58 . 1 1 A 12 12 PRO HA H 12 4.290 4.339 -0.049 2
1 65 . 1 1 A 12 12 PRO C C 12 176.186 175.970 0.216 2
1 66 . 1 1 A 12 12 PRO CA C 12 63.385 65.034 -1.649 2
1 67 . 1 1 A 12 12 PRO CB C 12 32.283 31.697 0.586 2
1 70 . 1 1 A 13 13 TYR H H 13 8.036 7.425 0.611 2
1 71 . 1 1 A 13 13 TYR HA H 13 4.568 4.727 -0.159 2
1 78 . 1 1 A 13 13 TYR C C 13 174.612 176.451 -1.839 2
1 79 . 1 1 A 13 13 TYR CA C 13 57.760 58.511 -0.751 2
1 80 . 1 1 A 13 13 TYR CB C 13 38.387 39.677 -1.290 2
1 85 . 1 1 A 13 13 TYR N N 13 118.849 118.270 0.578 2
1 86 . 1 1 A 14 14 GLU H H 14 8.552 9.186 -0.634 2
1 87 . 1 1 A 14 14 GLU HA H 14 4.923 5.546 -0.623 2
1 92 . 1 1 A 14 14 GLU C C 14 175.204 175.364 -0.160 2
1 93 . 1 1 A 14 14 GLU CA C 14 54.910 54.435 0.475 2
1 94 . 1 1 A 14 14 GLU CB C 14 33.000 33.613 -0.613 2
1 96 . 1 1 A 14 14 GLU N N 14 123.988 121.831 2.157 2
1 97 . 1 1 A 15 15 CYS H H 15 9.288 8.990 0.298 2
1 98 . 1 1 A 15 15 CYS HA H 15 4.591 4.619 -0.028 2
1 101 . 1 1 A 15 15 CYS C C 15 177.502 176.393 1.109 2
1 102 . 1 1 A 15 15 CYS CA C 15 59.594 59.412 0.182 2
1 103 . 1 1 A 15 15 CYS CB C 15 29.754 28.625 1.129 2
1 104 . 1 1 A 15 15 CYS N N 15 126.830 123.723 3.107 2
1 105 . 1 1 A 16 16 SER H H 16 9.383 9.095 0.288 2
1 106 . 1 1 A 16 16 SER HA H 16 4.287 4.525 -0.238 2
1 109 . 1 1 A 16 16 SER C C 16 174.508 174.939 -0.431 2
1 110 . 1 1 A 16 16 SER CA C 16 60.955 59.148 1.807 2
1 111 . 1 1 A 16 16 SER CB C 16 63.100 63.101 -0.001 2
1 112 . 1 1 A 16 16 SER N N 16 128.427 122.792 5.635 2
1 113 . 1 1 A 17 17 GLU H H 17 8.727 7.811 0.916 2
1 114 . 1 1 A 17 17 GLU HA H 17 4.258 4.335 -0.077 2
1 119 . 1 1 A 17 17 GLU C C 17 177.133 177.958 -0.825 2
1 120 . 1 1 A 17 17 GLU CA C 17 58.110 57.300 0.810 2
1 121 . 1 1 A 17 17 GLU CB C 17 29.738 30.664 -0.926 2
1 123 . 1 1 A 17 17 GLU N N 17 123.127 119.640 3.487 2
1 124 . 1 1 A 18 18 CYS H H 18 7.939 7.995 -0.056 2
1 125 . 1 1 A 18 18 CYS HA H 18 5.177 4.699 0.478 2
1 128 . 1 1 A 18 18 CYS C C 18 176.246 175.617 0.629 2
1 129 . 1 1 A 18 18 CYS CA C 18 58.259 59.413 -1.155 2
1 130 . 1 1 A 18 18 CYS CB C 18 32.602 30.198 2.404 2
1 131 . 1 1 A 18 18 CYS N N 18 114.781 114.671 0.110 2
1 132 . 1 1 A 19 19 GLY H H 19 8.186 8.051 0.135 2
1 133 . 1 1 A 19 19 GLY HA2 H 19 4.233 4.066 0.167 2
1 134 . 1 1 A 19 19 GLY HA3 H 19 3.870 4.077 -0.207 2
1 135 . 1 1 A 19 19 GLY C C 19 173.749 174.598 -0.849 2
1 136 . 1 1 A 19 19 GLY CA C 19 46.118 45.040 1.078 2
1 137 . 1 1 A 19 19 GLY N N 19 113.365 110.042 3.323 2
1 138 . 1 1 A 20 20 LYS H H 20 8.006 7.580 0.426 2
1 139 . 1 1 A 20 20 LYS HA H 20 3.923 4.177 -0.254 2
1 148 . 1 1 A 20 20 LYS C C 20 173.687 175.329 -1.642 2
1 149 . 1 1 A 20 20 LYS CA C 20 58.226 56.246 1.980 2
1 150 . 1 1 A 20 20 LYS CB C 20 33.596 33.238 0.358 2
1 154 . 1 1 A 20 20 LYS N N 20 123.138 122.544 0.594 2
1 155 . 1 1 A 21 21 ALA H H 21 7.748 7.960 -0.212 2
1 156 . 1 1 A 21 21 ALA HA H 21 5.177 5.665 -0.488 2
1 160 . 1 1 A 21 21 ALA C C 21 176.281 175.135 1.146 2
1 161 . 1 1 A 21 21 ALA CA C 21 50.328 50.324 0.004 2
1 162 . 1 1 A 21 21 ALA CB C 21 22.412 23.778 -1.366 2
1 163 . 1 1 A 21 21 ALA N N 21 123.859 124.275 -0.416 2
1 164 . 1 1 A 22 22 PHE H H 22 8.670 9.043 -0.373 2
1 165 . 1 1 A 22 22 PHE HA H 22 4.744 4.991 -0.247 2
1 173 . 1 1 A 22 22 PHE C C 22 175.220 175.626 -0.406 2
1 174 . 1 1 A 22 22 PHE CA C 22 57.170 56.593 0.577 2
1 175 . 1 1 A 22 22 PHE CB C 22 43.555 43.611 -0.056 2
1 181 . 1 1 A 22 22 PHE N N 22 117.277 116.025 1.251 2
1 182 . 1 1 A 23 23 ILE H H 23 8.681 8.638 0.043 2
1 183 . 1 1 A 23 23 ILE HA H 23 4.317 4.287 0.030 2
1 193 . 1 1 A 23 23 ILE C C 23 175.969 176.510 -0.541 2
1 194 . 1 1 A 23 23 ILE CA C 23 63.252 62.765 0.487 2
1 195 . 1 1 A 23 23 ILE CB C 23 38.840 38.703 0.137 2
1 199 . 1 1 A 23 23 ILE N N 23 119.186 120.968 -1.782 2
1 200 . 1 1 A 24 24 ARG H H 24 7.716 7.786 -0.070 2
1 201 . 1 1 A 24 24 ARG HA H 24 4.794 4.645 0.149 2
1 208 . 1 1 A 24 24 ARG C C 24 176.531 175.536 0.995 2
1 209 . 1 1 A 24 24 ARG CA C 24 53.902 54.048 -0.146 2
1 210 . 1 1 A 24 24 ARG CB C 24 33.380 32.940 0.440 2
1 213 . 1 1 A 24 24 ARG N N 24 115.336 120.561 -5.225 2
1 214 . 1 1 A 25 25 ASN H H 25 8.492 8.117 0.375 2
1 215 . 1 1 A 25 25 ASN HA H 25 3.587 3.286 0.301 2
1 220 . 1 1 A 25 25 ASN C C 25 177.332 176.811 0.521 2
1 221 . 1 1 A 25 25 ASN CA C 25 56.127 56.415 -0.288 2
1 222 . 1 1 A 25 25 ASN CB C 25 38.325 38.354 -0.029 2
1 223 . 1 1 A 25 25 ASN N N 25 124.604 122.402 2.202 2
1 225 . 1 1 A 26 26 SER HA H 26 3.868 4.029 -0.161 2
1 228 . 1 1 A 26 26 SER C C 26 176.671 176.727 -0.056 2
1 229 . 1 1 A 26 26 SER CA C 26 61.484 61.433 0.051 2
1 230 . 1 1 A 26 26 SER CB C 26 59.671 62.894 -3.223 2
1 231 . 1 1 A 26 26 SER N N 26 116.000 114.577 1.423 2
1 232 . 1 1 A 27 27 GLN H H 27 6.676 7.803 -1.127 2
1 233 . 1 1 A 27 27 GLN HA H 27 3.939 3.979 -0.040 2
1 240 . 1 1 A 27 27 GLN C C 27 178.435 178.015 0.420 2
1 241 . 1 1 A 27 27 GLN CA C 27 57.514 58.767 -1.253 2
1 242 . 1 1 A 27 27 GLN CB C 27 28.989 28.320 0.669 2
1 244 . 1 1 A 27 27 GLN N N 27 119.416 121.414 -1.998 2
1 246 . 1 1 A 28 28 LEU H H 28 6.916 7.453 -0.537 2
1 247 . 1 1 A 28 28 LEU HA H 28 3.284 2.034 1.250 2
1 257 . 1 1 A 28 28 LEU C C 28 177.490 178.323 -0.833 2
1 258 . 1 1 A 28 28 LEU CA C 28 57.911 57.410 0.501 2
1 259 . 1 1 A 28 28 LEU CB C 28 40.185 41.309 -1.124 2
1 263 . 1 1 A 28 28 LEU N N 28 122.389 120.868 1.521 2
1 264 . 1 1 A 29 29 ILE H H 29 7.971 7.952 0.019 2
1 265 . 1 1 A 29 29 ILE HA H 29 3.731 3.533 0.198 2
1 275 . 1 1 A 29 29 ILE C C 29 179.073 177.964 1.109 2
1 276 . 1 1 A 29 29 ILE CA C 29 64.438 65.348 -0.910 2
1 277 . 1 1 A 29 29 ILE CB C 29 37.464 37.660 -0.196 2
1 281 . 1 1 A 29 29 ILE N N 29 119.136 119.885 -0.750 2
1 282 . 1 1 A 30 30 VAL H H 30 7.101 7.588 -0.487 2
1 283 . 1 1 A 30 30 VAL HA H 30 3.510 3.666 -0.156 2
1 291 . 1 1 A 30 30 VAL C C 30 178.913 178.075 0.838 2
1 292 . 1 1 A 30 30 VAL CA C 30 66.454 66.254 0.200 2
1 293 . 1 1 A 30 30 VAL CB C 30 31.972 31.510 0.462 2
1 296 . 1 1 A 30 30 VAL N N 30 118.445 119.965 -1.520 2
1 297 . 1 1 A 31 31 HIS H H 31 7.640 7.973 -0.333 2
1 298 . 1 1 A 31 31 HIS HA H 31 4.227 4.260 -0.033 2
1 303 . 1 1 A 31 31 HIS C C 31 178.068 177.177 0.891 2
1 304 . 1 1 A 31 31 HIS CA C 31 59.324 59.268 0.056 2
1 305 . 1 1 A 31 31 HIS CB C 31 28.585 30.206 -1.621 2
1 308 . 1 1 A 31 31 HIS N N 31 119.473 119.146 0.327 2
1 309 . 1 1 A 32 32 GLN H H 32 9.000 7.991 1.009 2
1 310 . 1 1 A 32 32 GLN HA H 32 3.726 4.042 -0.316 2
1 317 . 1 1 A 32 32 GLN C C 32 178.082 178.688 -0.606 2
1 318 . 1 1 A 32 32 GLN CA C 32 59.828 58.365 1.463 2
1 319 . 1 1 A 32 32 GLN CB C 32 28.009 28.329 -0.320 2
1 321 . 1 1 A 32 32 GLN N N 32 120.303 118.626 1.677 2
1 323 . 1 1 A 33 33 ARG H H 33 7.300 7.878 -0.578 2
1 324 . 1 1 A 33 33 ARG HA H 33 4.192 4.048 0.143 2
1 331 . 1 1 A 33 33 ARG C C 33 178.428 179.106 -0.678 2
1 332 . 1 1 A 33 33 ARG CA C 33 58.472 59.277 -0.805 2
1 333 . 1 1 A 33 33 ARG CB C 33 29.899 29.952 -0.053 2
1 336 . 1 1 A 33 33 ARG N N 33 117.936 120.492 -2.556 2
1 337 . 1 1 A 34 34 THR H H 34 7.787 7.784 0.003 2
1 338 . 1 1 A 34 34 THR HA H 34 4.127 3.940 0.187 2
1 343 . 1 1 A 34 34 THR C C 34 175.625 176.955 -1.330 2
1 344 . 1 1 A 34 34 THR CA C 34 64.023 65.544 -1.521 2
1 345 . 1 1 A 34 34 THR CB C 34 69.314 68.131 1.183 2
1 347 . 1 1 A 34 34 THR N N 34 109.902 114.187 -4.285 2
1 348 . 1 1 A 35 35 HIS H H 35 7.100 7.775 -0.675 2
1 349 . 1 1 A 35 35 HIS HA H 35 4.859 4.301 0.558 2
1 354 . 1 1 A 35 35 HIS C C 35 175.369 176.378 -1.009 2
1 355 . 1 1 A 35 35 HIS CA C 35 55.421 59.308 -3.887 2
1 356 . 1 1 A 35 35 HIS CB C 35 28.730 29.849 -1.119 2
1 359 . 1 1 A 35 35 HIS N N 35 118.308 119.017 -0.709 2
1 360 . 1 1 A 36 36 SER H H 36 7.832 7.947 -0.115 2
1 361 . 1 1 A 36 36 SER HA H 36 4.488 4.213 0.275 2
1 364 . 1 1 A 36 36 SER C C 36 175.116 175.250 -0.134 2
1 365 . 1 1 A 36 36 SER CA C 36 58.823 59.906 -1.083 2
1 366 . 1 1 A 36 36 SER CB C 36 63.948 63.165 0.783 2
1 367 . 1 1 A 36 36 SER N N 36 114.683 114.008 0.675 2
1 368 . 1 1 A 37 37 GLY H H 37 8.324 8.309 0.015 2
1 369 . 1 1 A 37 37 GLY HA2 H 37 4.012 3.996 0.016 2
1 370 . 1 1 A 37 37 GLY HA3 H 37 4.012 4.001 0.011 2
1 371 . 1 1 A 37 37 GLY C C 37 174.303 173.893 0.410 2
1 372 . 1 1 A 37 37 GLY CA C 37 45.417 45.795 -0.378 2
1 373 . 1 1 A 37 37 GLY N N 37 110.893 111.326 -0.433 2
1 374 . 1 1 A 38 38 GLU H H 38 8.206 8.352 -0.146 2
1 375 . 1 1 A 38 38 GLU HA H 38 4.331 4.480 -0.149 2
1 380 . 1 1 A 38 38 GLU C C 38 176.590 175.903 0.687 2
1 381 . 1 1 A 38 38 GLU CA C 38 56.589 56.234 0.355 2
1 382 . 1 1 A 38 38 GLU CB C 38 30.477 30.610 -0.133 2
1 384 . 1 1 A 38 38 GLU N N 38 120.603 121.631 -1.028 2
1 385 . 1 1 A 39 39 SER H H 39 8.416 8.516 -0.100 2
1 386 . 1 1 A 39 39 SER HA H 39 4.490 4.612 -0.122 2
1 389 . 1 1 A 39 39 SER C C 39 174.575 174.184 0.391 2
1 390 . 1 1 A 39 39 SER CA C 39 58.289 58.482 -0.193 2
1 391 . 1 1 A 39 39 SER CB C 39 63.935 63.801 0.134 2
1 392 . 1 1 A 39 39 SER N N 39 116.772 117.825 -1.053 2
1 393 . 1 1 A 40 40 GLY H H 40 8.240 8.229 0.011 2
1 394 . 1 1 A 40 40 GLY HA2 H 40 4.149 4.137 0.012 2
1 395 . 1 1 A 40 40 GLY HA3 H 40 4.051 4.139 -0.088 2
1 396 . 1 1 A 40 40 GLY C C 40 171.726 173.468 -1.742 2
1 397 . 1 1 A 40 40 GLY CA C 40 44.662 45.408 -0.746 2
1 398 . 1 1 A 40 40 GLY N N 40 110.640 110.656 -0.016 2
1 399 . 1 1 A 41 41 PRO HA H 41 4.481 4.534 -0.053 2
1 406 . 1 1 A 41 41 PRO C C 41 177.367 176.502 0.865 2
1 407 . 1 1 A 41 41 PRO CA C 41 63.234 63.291 -0.057 2
1 408 . 1 1 A 41 41 PRO CB C 41 32.193 31.876 0.317 2
1 411 . 1 1 A 42 42 SER H H 42 8.538 8.198 0.340 2
1 412 . 1 1 A 42 42 SER C C 42 174.673 173.723 0.950 2
1 413 . 1 1 A 42 42 SER CA C 42 58.495 58.609 -0.114 2
1 414 . 1 1 A 42 42 SER CB C 42 64.033 63.480 0.553 2
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