data_10219_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10219
_Entry.PDB_ID 2EOK
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 6 6 SER HA H 6 4.423 4.741 -0.318 1
1 4 . 1 1 1 A 6 6 SER C C 6 174.984 174.084 0.900 1
1 5 . 1 1 1 A 6 6 SER CA C 6 58.619 56.087 2.532 1
1 6 . 1 1 1 A 6 6 SER CB C 6 63.809 65.620 -1.811 1
1 7 . 1 1 1 A 7 7 GLY H H 7 8.330 8.360 -0.030 1
1 8 . 1 1 1 A 7 7 GLY HA2 H 7 3.853 4.066 -0.213 1
1 9 . 1 1 1 A 7 7 GLY HA3 H 7 3.853 4.068 -0.215 1
1 10 . 1 1 1 A 7 7 GLY C C 7 173.978 172.512 1.466 1
1 11 . 1 1 1 A 7 7 GLY CA C 7 45.124 44.363 0.761 1
1 12 . 1 1 1 A 7 7 GLY N N 7 110.444 111.574 -1.130 1
1 13 . 1 1 1 A 8 8 GLU H H 8 8.136 8.493 -0.357 1
1 14 . 1 1 1 A 8 8 GLU HA H 8 4.084 4.993 -0.909 1
1 19 . 1 1 1 A 8 8 GLU C C 8 176.363 175.525 0.838 1
1 20 . 1 1 1 A 8 8 GLU CA C 8 56.807 54.755 2.052 1
1 21 . 1 1 1 A 8 8 GLU CB C 8 30.323 33.392 -3.069 1
1 23 . 1 1 1 A 8 8 GLU N N 8 120.206 121.449 -1.243 1
1 24 . 1 1 1 A 9 9 LYS H H 9 8.190 8.538 -0.348 1
1 25 . 1 1 1 A 9 9 LYS HA H 9 4.401 4.253 0.148 1
1 34 . 1 1 1 A 9 9 LYS C C 9 173.724 176.856 -3.132 1
1 35 . 1 1 1 A 9 9 LYS CA C 9 53.773 54.940 -1.167 1
1 36 . 1 1 1 A 9 9 LYS CB C 9 33.324 31.810 1.514 1
1 40 . 1 1 1 A 9 9 LYS N N 9 121.893 126.070 -4.177 1
1 41 . 1 1 1 A 10 10 PRO HA H 10 4.176 4.314 -0.138 1
1 48 . 1 1 1 A 10 10 PRO C C 10 176.542 175.924 0.618 1
1 49 . 1 1 1 A 10 10 PRO CA C 10 63.392 65.042 -1.650 1
1 50 . 1 1 1 A 10 10 PRO CB C 10 32.297 31.520 0.777 1
1 53 . 1 1 1 A 11 11 TYR H H 11 7.766 7.721 0.045 1
1 54 . 1 1 1 A 11 11 TYR HA H 11 4.523 4.693 -0.170 1
1 61 . 1 1 1 A 11 11 TYR C C 11 174.276 176.455 -2.179 1
1 62 . 1 1 1 A 11 11 TYR CA C 11 58.052 58.493 -0.441 1
1 63 . 1 1 1 A 11 11 TYR CB C 11 38.185 39.984 -1.799 1
1 68 . 1 1 1 A 11 11 TYR N N 11 118.946 118.207 0.739 1
1 69 . 1 1 1 A 12 12 VAL H H 12 8.434 8.745 -0.311 1
1 70 . 1 1 1 A 12 12 VAL HA H 12 4.510 4.963 -0.453 1
1 78 . 1 1 1 A 12 12 VAL C C 12 175.589 175.073 0.516 1
1 79 . 1 1 1 A 12 12 VAL CA C 12 61.266 61.353 -0.087 1
1 80 . 1 1 1 A 12 12 VAL CB C 12 34.474 35.241 -0.767 1
1 83 . 1 1 1 A 12 12 VAL N N 12 125.129 121.990 3.139 1
1 84 . 1 1 1 A 13 13 CYS H H 13 9.288 8.983 0.305 1
1 85 . 1 1 1 A 13 13 CYS HA H 13 4.486 4.544 -0.058 1
1 88 . 1 1 1 A 13 13 CYS C C 13 177.453 174.827 2.626 1
1 89 . 1 1 1 A 13 13 CYS CA C 13 59.913 60.276 -0.363 1
1 90 . 1 1 1 A 13 13 CYS CB C 13 29.670 28.939 0.731 1
1 91 . 1 1 1 A 13 13 CYS N N 13 129.949 127.294 2.655 1
1 92 . 1 1 1 A 14 14 SER H H 14 9.359 9.126 0.233 1
1 93 . 1 1 1 A 14 14 SER HA H 14 4.194 4.484 -0.290 1
1 96 . 1 1 1 A 14 14 SER C C 14 174.334 175.736 -1.402 1
1 97 . 1 1 1 A 14 14 SER CA C 14 61.015 60.182 0.833 1
1 98 . 1 1 1 A 14 14 SER CB C 14 63.031 64.373 -1.342 1
1 99 . 1 1 1 A 14 14 SER N N 14 128.692 120.019 8.673 1
1 100 . 1 1 1 A 15 15 ASP H H 15 8.616 7.791 0.825 1
1 101 . 1 1 1 A 15 15 ASP HA H 15 4.495 4.167 0.328 1
1 104 . 1 1 1 A 15 15 ASP C C 15 176.945 177.616 -0.671 1
1 105 . 1 1 1 A 15 15 ASP CA C 15 56.927 57.325 -0.398 1
1 106 . 1 1 1 A 15 15 ASP CB C 15 41.300 41.156 0.144 1
1 107 . 1 1 1 A 15 15 ASP N N 15 122.842 121.193 1.649 1
1 108 . 1 1 1 A 16 16 CYS H H 16 7.880 7.367 0.513 1
1 109 . 1 1 1 A 16 16 CYS HA H 16 5.095 4.574 0.521 1
1 112 . 1 1 1 A 16 16 CYS C C 16 176.300 175.290 1.010 1
1 113 . 1 1 1 A 16 16 CYS CA C 16 58.641 59.749 -1.108 1
1 114 . 1 1 1 A 16 16 CYS CB C 16 32.470 29.501 2.969 1
1 115 . 1 1 1 A 16 16 CYS N N 16 114.753 114.644 0.109 1
1 116 . 1 1 1 A 17 17 GLY H H 17 8.180 8.254 -0.074 1
1 117 . 1 1 1 A 17 17 GLY HA2 H 17 3.657 4.044 -0.387 1
1 118 . 1 1 1 A 17 17 GLY HA3 H 17 4.150 4.062 0.088 1
1 119 . 1 1 1 A 17 17 GLY C C 17 173.556 174.569 -1.013 1
1 120 . 1 1 1 A 17 17 GLY CA C 17 46.062 45.316 0.746 1
1 121 . 1 1 1 A 17 17 GLY N N 17 113.552 110.371 3.181 1
1 122 . 1 1 1 A 18 18 LYS H H 18 7.992 7.523 0.469 1
1 123 . 1 1 1 A 18 18 LYS HA H 18 3.843 4.275 -0.432 1
1 132 . 1 1 1 A 18 18 LYS C C 18 173.383 175.253 -1.870 1
1 133 . 1 1 1 A 18 18 LYS CA C 18 58.362 55.852 2.510 1
1 134 . 1 1 1 A 18 18 LYS CB C 18 33.336 33.574 -0.238 1
1 138 . 1 1 1 A 18 18 LYS N N 18 123.588 122.176 1.412 1
1 139 . 1 1 1 A 19 19 ALA H H 19 7.646 7.852 -0.206 1
1 140 . 1 1 1 A 19 19 ALA HA H 19 5.124 5.399 -0.275 1
1 144 . 1 1 1 A 19 19 ALA C C 19 176.333 175.039 1.294 1
1 145 . 1 1 1 A 19 19 ALA CA C 19 50.076 49.754 0.322 1
1 146 . 1 1 1 A 19 19 ALA CB C 19 22.792 22.761 0.031 1
1 147 . 1 1 1 A 19 19 ALA N N 19 124.673 124.506 0.167 1
1 148 . 1 1 1 A 20 20 PHE H H 20 8.857 8.831 0.026 1
1 149 . 1 1 1 A 20 20 PHE HA H 20 4.653 4.846 -0.193 1
1 157 . 1 1 1 A 20 20 PHE C C 20 175.110 175.593 -0.483 1
1 158 . 1 1 1 A 20 20 PHE CA C 20 57.317 56.779 0.538 1
1 159 . 1 1 1 A 20 20 PHE CB C 20 43.327 42.714 0.613 1
1 165 . 1 1 1 A 20 20 PHE N N 20 117.387 117.274 0.113 1
1 166 . 1 1 1 A 21 21 THR H H 21 8.729 8.586 0.143 1
1 167 . 1 1 1 A 21 21 THR HA H 21 4.005 4.129 -0.124 1
1 172 . 1 1 1 A 21 21 THR C C 21 173.500 174.821 -1.321 1
1 173 . 1 1 1 A 21 21 THR CA C 21 66.328 65.435 0.893 1
1 174 . 1 1 1 A 21 21 THR CB C 21 69.605 68.341 1.264 1
1 176 . 1 1 1 A 21 21 THR N N 21 118.703 116.771 1.932 1
1 177 . 1 1 1 A 22 22 PHE H H 22 7.767 7.792 -0.025 1
1 178 . 1 1 1 A 22 22 PHE HA H 22 5.093 4.836 0.257 1
1 186 . 1 1 1 A 22 22 PHE C C 22 176.290 175.849 0.441 1
1 187 . 1 1 1 A 22 22 PHE CA C 22 55.753 57.608 -1.855 1
1 188 . 1 1 1 A 22 22 PHE CB C 22 42.016 40.795 1.221 1
1 194 . 1 1 1 A 22 22 PHE N N 22 114.810 118.258 -3.448 1
1 195 . 1 1 1 A 23 23 LYS H H 23 8.496 8.646 -0.150 1
1 196 . 1 1 1 A 23 23 LYS HA H 23 2.922 3.004 -0.082 1
1 205 . 1 1 1 A 23 23 LYS C C 23 178.191 177.815 0.376 1
1 206 . 1 1 1 A 23 23 LYS CA C 23 59.444 59.586 -0.142 1
1 207 . 1 1 1 A 23 23 LYS CB C 23 31.569 32.048 -0.479 1
1 211 . 1 1 1 A 23 23 LYS N N 23 127.716 124.296 3.420 1
1 212 . 1 1 1 A 24 24 SER H H 24 8.519 8.286 0.233 1
1 213 . 1 1 1 A 24 24 SER HA H 24 3.838 4.150 -0.312 1
1 216 . 1 1 1 A 24 24 SER C C 24 176.778 177.016 -0.238 1
1 217 . 1 1 1 A 24 24 SER CA C 24 60.910 61.500 -0.590 1
1 218 . 1 1 1 A 24 24 SER CB C 24 61.337 62.661 -1.324 1
1 219 . 1 1 1 A 24 24 SER N N 24 111.904 114.625 -2.721 1
1 220 . 1 1 1 A 25 25 GLN H H 25 6.829 8.303 -1.474 1
1 221 . 1 1 1 A 25 25 GLN HA H 25 3.894 3.893 0.001 1
1 228 . 1 1 1 A 25 25 GLN C C 25 178.758 178.098 0.660 1
1 229 . 1 1 1 A 25 25 GLN CA C 25 57.499 58.946 -1.447 1
1 230 . 1 1 1 A 25 25 GLN CB C 25 28.839 28.181 0.658 1
1 232 . 1 1 1 A 25 25 GLN N N 25 119.416 120.367 -0.951 1
1 234 . 1 1 1 A 26 26 LEU H H 26 6.900 7.729 -0.829 1
1 235 . 1 1 1 A 26 26 LEU HA H 26 3.218 3.165 0.053 1
1 245 . 1 1 1 A 26 26 LEU C C 26 177.322 178.518 -1.196 1
1 246 . 1 1 1 A 26 26 LEU CA C 26 57.675 57.691 -0.016 1
1 247 . 1 1 1 A 26 26 LEU CB C 26 40.250 41.702 -1.452 1
1 251 . 1 1 1 A 26 26 LEU N N 26 122.040 120.650 1.390 1
1 252 . 1 1 1 A 27 27 ILE H H 27 7.967 7.904 0.063 1
1 253 . 1 1 1 A 27 27 ILE HA H 27 3.683 3.604 0.079 1
1 263 . 1 1 1 A 27 27 ILE C C 27 179.261 178.515 0.746 1
1 264 . 1 1 1 A 27 27 ILE CA C 27 64.506 65.230 -0.724 1
1 265 . 1 1 1 A 27 27 ILE CB C 27 37.362 37.885 -0.523 1
1 269 . 1 1 1 A 27 27 ILE N N 27 118.724 120.048 -1.324 1
1 270 . 1 1 1 A 28 28 VAL H H 28 7.247 7.716 -0.469 1
1 271 . 1 1 1 A 28 28 VAL HA H 28 3.569 3.607 -0.038 1
1 279 . 1 1 1 A 28 28 VAL C C 28 179.175 178.085 1.090 1
1 280 . 1 1 1 A 28 28 VAL CA C 28 66.301 65.883 0.418 1
1 281 . 1 1 1 A 28 28 VAL CB C 28 32.097 31.783 0.314 1
1 284 . 1 1 1 A 28 28 VAL N N 28 118.810 120.846 -2.036 1
1 285 . 1 1 1 A 29 29 HIS H H 29 7.552 7.944 -0.392 1
1 286 . 1 1 1 A 29 29 HIS HA H 29 4.109 4.067 0.042 1
1 291 . 1 1 1 A 29 29 HIS C C 29 175.916 176.675 -0.759 1
1 292 . 1 1 1 A 29 29 HIS CA C 29 59.370 59.879 -0.509 1
1 293 . 1 1 1 A 29 29 HIS CB C 29 28.596 29.505 -0.909 1
1 296 . 1 1 1 A 29 29 HIS N N 29 120.366 119.744 0.622 1
1 297 . 1 1 1 A 30 30 GLN H H 30 8.437 8.687 -0.250 1
1 298 . 1 1 1 A 30 30 GLN HA H 30 3.714 3.837 -0.123 1
1 305 . 1 1 1 A 30 30 GLN C C 30 177.902 179.339 -1.437 1
1 306 . 1 1 1 A 30 30 GLN CA C 30 59.344 58.664 0.680 1
1 307 . 1 1 1 A 30 30 GLN CB C 30 28.168 28.064 0.104 1
1 309 . 1 1 1 A 30 30 GLN N N 30 115.477 116.967 -1.490 1
1 311 . 1 1 1 A 31 31 GLY H H 31 7.466 8.324 -0.858 1
1 312 . 1 1 1 A 31 31 GLY HA2 H 31 3.969 3.699 0.270 1
1 313 . 1 1 1 A 31 31 GLY HA3 H 31 3.850 3.717 0.133 1
1 314 . 1 1 1 A 31 31 GLY C C 31 175.915 175.969 -0.054 1
1 315 . 1 1 1 A 31 31 GLY CA C 31 46.630 47.301 -0.671 1
1 316 . 1 1 1 A 31 31 GLY N N 31 105.808 108.781 -2.973 1
1 317 . 1 1 1 A 32 32 ILE H H 32 7.806 8.005 -0.199 1
1 318 . 1 1 1 A 32 32 ILE HA H 32 4.000 3.810 0.190 1
1 328 . 1 1 1 A 32 32 ILE C C 32 177.427 176.766 0.661 1
1 329 . 1 1 1 A 32 32 ILE CA C 32 62.775 63.855 -1.080 1
1 330 . 1 1 1 A 32 32 ILE CB C 32 37.641 37.367 0.274 1
1 334 . 1 1 1 A 32 32 ILE N N 32 117.910 119.764 -1.854 1
1 335 . 1 1 1 A 33 33 HIS H H 33 7.263 7.617 -0.354 1
1 336 . 1 1 1 A 33 33 HIS HA H 33 4.807 4.646 0.161 1
1 341 . 1 1 1 A 33 33 HIS C C 33 175.667 175.536 0.131 1
1 342 . 1 1 1 A 33 33 HIS CA C 33 55.199 54.892 0.307 1
1 343 . 1 1 1 A 33 33 HIS CB C 33 28.669 28.149 0.520 1
1 346 . 1 1 1 A 33 33 HIS N N 33 118.200 119.403 -1.203 1
1 347 . 1 1 1 A 34 34 THR H H 34 7.742 7.868 -0.126 1
1 348 . 1 1 1 A 34 34 THR HA H 34 4.299 4.594 -0.295 1
1 353 . 1 1 1 A 34 34 THR C C 34 175.347 174.504 0.843 1
1 354 . 1 1 1 A 34 34 THR CA C 34 62.279 60.737 1.542 1
1 355 . 1 1 1 A 34 34 THR CB C 34 69.771 68.922 0.849 1
1 357 . 1 1 1 A 34 34 THR N N 34 111.663 110.189 1.474 1
1 358 . 1 1 1 A 35 35 GLY H H 35 8.208 7.568 0.640 1
1 359 . 1 1 1 A 35 35 GLY HA2 H 35 3.956 3.978 -0.022 1
1 360 . 1 1 1 A 35 35 GLY HA3 H 35 3.956 3.983 -0.027 1
1 361 . 1 1 1 A 35 35 GLY C C 35 174.200 174.821 -0.621 1
1 362 . 1 1 1 A 35 35 GLY CA C 35 45.464 45.617 -0.153 1
1 363 . 1 1 1 A 35 35 GLY N N 35 110.990 109.888 1.102 1
1 364 . 1 1 1 A 36 36 VAL H H 36 7.948 7.845 0.103 1
1 365 . 1 1 1 A 36 36 VAL HA H 36 4.124 3.955 0.169 1
1 373 . 1 1 1 A 36 36 VAL C C 36 176.269 175.989 0.280 1
1 374 . 1 1 1 A 36 36 VAL CA C 36 62.268 62.828 -0.560 1
1 375 . 1 1 1 A 36 36 VAL CB C 36 32.701 30.885 1.816 1
1 378 . 1 1 1 A 36 36 VAL N N 36 119.178 120.515 -1.337 1
1 379 . 1 1 1 A 37 37 SER H H 37 8.363 8.639 -0.276 1
1 380 . 1 1 1 A 37 37 SER HA H 37 4.451 4.710 -0.259 1
1 383 . 1 1 1 A 37 37 SER C C 37 174.469 175.112 -0.643 1
1 384 . 1 1 1 A 37 37 SER CA C 37 58.264 60.056 -1.792 1
1 385 . 1 1 1 A 37 37 SER CB C 37 64.029 65.174 -1.145 1
1 386 . 1 1 1 A 37 37 SER N N 37 119.506 123.020 -3.514 1
1 387 . 1 1 1 A 38 38 GLY H H 38 8.206 7.891 0.315 1
1 388 . 1 1 1 A 38 38 GLY HA2 H 38 4.113 4.079 0.034 1
1 389 . 1 1 1 A 38 38 GLY HA3 H 38 4.011 4.079 -0.068 1
1 390 . 1 1 1 A 38 38 GLY C C 38 171.689 173.051 -1.362 1
1 391 . 1 1 1 A 38 38 GLY CA C 38 44.602 44.874 -0.272 1
1 392 . 1 1 1 A 38 38 GLY N N 38 110.830 108.766 2.064 1
1 393 . 1 1 1 A 39 39 PRO HA H 39 4.416 4.697 -0.281 1
1 400 . 1 1 1 A 39 39 PRO C C 39 177.347 176.146 1.201 1
1 401 . 1 1 1 A 39 39 PRO CA C 39 63.184 62.806 0.378 1
1 402 . 1 1 1 A 39 39 PRO CB C 39 32.171 33.008 -0.837 1
1 405 . 1 1 1 A 40 40 SER H H 40 8.503 8.447 0.056 1
1 406 . 1 1 1 A 40 40 SER HA H 40 4.455 5.094 -0.639 1
1 409 . 1 1 1 A 40 40 SER C C 40 174.649 172.908 1.741 1
1 410 . 1 1 1 A 40 40 SER CA C 40 58.366 57.188 1.178 1
1 411 . 1 1 1 A 40 40 SER CB C 40 63.806 66.339 -2.533 1
1 412 . 1 1 1 A 40 40 SER N N 40 116.420 114.553 1.867 1
1 413 . 1 1 1 A 41 41 SER H H 41 8.301 8.766 -0.465 1
1 414 . 1 1 1 A 41 41 SER HA H 41 4.452 4.423 0.029 1
1 417 . 1 1 1 A 41 41 SER C C 41 173.899 175.435 -1.536 1
1 418 . 1 1 1 A 41 41 SER CA C 41 58.385 58.766 -0.381 1
1 419 . 1 1 1 A 41 41 SER CB C 41 64.120 61.636 2.484 1
1 420 . 1 1 1 A 41 41 SER N N 41 117.874 121.249 -3.375 1
1 1 . 2 1 1 A 6 6 SER HA H 6 4.423 4.239 0.184 1
1 4 . 2 1 1 A 6 6 SER C C 6 174.984 174.409 0.575 1
1 5 . 2 1 1 A 6 6 SER CA C 6 58.619 60.299 -1.680 1
1 6 . 2 1 1 A 6 6 SER CB C 6 63.809 63.611 0.198 1
1 7 . 2 1 1 A 7 7 GLY H H 7 8.330 8.666 -0.336 1
1 8 . 2 1 1 A 7 7 GLY HA2 H 7 3.853 4.126 -0.273 1
1 9 . 2 1 1 A 7 7 GLY HA3 H 7 3.853 4.136 -0.283 1
1 10 . 2 1 1 A 7 7 GLY C C 7 173.978 172.312 1.666 1
1 11 . 2 1 1 A 7 7 GLY CA C 7 45.124 44.844 0.280 1
1 12 . 2 1 1 A 7 7 GLY N N 7 110.444 114.182 -3.738 1
1 13 . 2 1 1 A 8 8 GLU H H 8 8.136 8.960 -0.824 1
1 14 . 2 1 1 A 8 8 GLU HA H 8 4.084 4.744 -0.660 1
1 19 . 2 1 1 A 8 8 GLU C C 8 176.363 175.159 1.204 1
1 20 . 2 1 1 A 8 8 GLU CA C 8 56.807 55.286 1.521 1
1 21 . 2 1 1 A 8 8 GLU CB C 8 30.323 30.002 0.321 1
1 23 . 2 1 1 A 8 8 GLU N N 8 120.206 125.573 -5.367 1
1 24 . 2 1 1 A 9 9 LYS H H 9 8.190 8.236 -0.046 1
1 25 . 2 1 1 A 9 9 LYS HA H 9 4.401 4.740 -0.339 1
1 34 . 2 1 1 A 9 9 LYS C C 9 173.724 176.329 -2.605 1
1 35 . 2 1 1 A 9 9 LYS CA C 9 53.773 52.864 0.909 1
1 36 . 2 1 1 A 9 9 LYS CB C 9 33.324 33.872 -0.548 1
1 40 . 2 1 1 A 9 9 LYS N N 9 121.893 124.919 -3.026 1
1 41 . 2 1 1 A 10 10 PRO HA H 10 4.176 4.323 -0.147 1
1 48 . 2 1 1 A 10 10 PRO C C 10 176.542 175.883 0.659 1
1 49 . 2 1 1 A 10 10 PRO CA C 10 63.392 65.004 -1.612 1
1 50 . 2 1 1 A 10 10 PRO CB C 10 32.297 31.603 0.694 1
1 53 . 2 1 1 A 11 11 TYR H H 11 7.766 7.790 -0.024 1
1 54 . 2 1 1 A 11 11 TYR HA H 11 4.523 4.696 -0.173 1
1 61 . 2 1 1 A 11 11 TYR C C 11 174.276 176.356 -2.080 1
1 62 . 2 1 1 A 11 11 TYR CA C 11 58.052 58.423 -0.371 1
1 63 . 2 1 1 A 11 11 TYR CB C 11 38.185 39.875 -1.690 1
1 68 . 2 1 1 A 11 11 TYR N N 11 118.946 118.213 0.733 1
1 69 . 2 1 1 A 12 12 VAL H H 12 8.434 8.792 -0.358 1
1 70 . 2 1 1 A 12 12 VAL HA H 12 4.510 4.949 -0.439 1
1 78 . 2 1 1 A 12 12 VAL C C 12 175.589 175.157 0.432 1
1 79 . 2 1 1 A 12 12 VAL CA C 12 61.266 61.489 -0.223 1
1 80 . 2 1 1 A 12 12 VAL CB C 12 34.474 34.999 -0.525 1
1 83 . 2 1 1 A 12 12 VAL N N 12 125.129 121.721 3.408 1
1 84 . 2 1 1 A 13 13 CYS H H 13 9.288 9.271 0.017 1
1 85 . 2 1 1 A 13 13 CYS HA H 13 4.486 4.438 0.048 1
1 88 . 2 1 1 A 13 13 CYS C C 13 177.453 176.010 1.443 1
1 89 . 2 1 1 A 13 13 CYS CA C 13 59.913 60.185 -0.272 1
1 90 . 2 1 1 A 13 13 CYS CB C 13 29.670 28.824 0.846 1
1 91 . 2 1 1 A 13 13 CYS N N 13 129.949 127.509 2.440 1
1 92 . 2 1 1 A 14 14 SER H H 14 9.359 8.956 0.403 1
1 93 . 2 1 1 A 14 14 SER HA H 14 4.194 4.695 -0.501 1
1 96 . 2 1 1 A 14 14 SER C C 14 174.334 174.740 -0.406 1
1 97 . 2 1 1 A 14 14 SER CA C 14 61.015 57.680 3.335 1
1 98 . 2 1 1 A 14 14 SER CB C 14 63.031 63.629 -0.598 1
1 99 . 2 1 1 A 14 14 SER N N 14 128.692 121.981 6.711 1
1 100 . 2 1 1 A 15 15 ASP H H 15 8.616 8.152 0.464 1
1 101 . 2 1 1 A 15 15 ASP HA H 15 4.495 4.645 -0.150 1
1 104 . 2 1 1 A 15 15 ASP C C 15 176.945 177.350 -0.405 1
1 105 . 2 1 1 A 15 15 ASP CA C 15 56.927 55.249 1.678 1
1 106 . 2 1 1 A 15 15 ASP CB C 15 41.300 42.220 -0.920 1
1 107 . 2 1 1 A 15 15 ASP N N 15 122.842 121.163 1.679 1
1 108 . 2 1 1 A 16 16 CYS H H 16 7.880 8.142 -0.262 1
1 109 . 2 1 1 A 16 16 CYS HA H 16 5.095 4.670 0.425 1
1 112 . 2 1 1 A 16 16 CYS C C 16 176.300 175.603 0.697 1
1 113 . 2 1 1 A 16 16 CYS CA C 16 58.641 59.617 -0.976 1
1 114 . 2 1 1 A 16 16 CYS CB C 16 32.470 29.958 2.512 1
1 115 . 2 1 1 A 16 16 CYS N N 16 114.753 114.452 0.301 1
1 116 . 2 1 1 A 17 17 GLY H H 17 8.180 8.108 0.072 1
1 117 . 2 1 1 A 17 17 GLY HA2 H 17 3.657 4.075 -0.418 1
1 118 . 2 1 1 A 17 17 GLY HA3 H 17 4.150 4.089 0.061 1
1 119 . 2 1 1 A 17 17 GLY C C 17 173.556 174.254 -0.698 1
1 120 . 2 1 1 A 17 17 GLY CA C 17 46.062 45.154 0.908 1
1 121 . 2 1 1 A 17 17 GLY N N 17 113.552 110.088 3.464 1
1 122 . 2 1 1 A 18 18 LYS H H 18 7.992 7.987 0.005 1
1 123 . 2 1 1 A 18 18 LYS HA H 18 3.843 4.432 -0.589 1
1 132 . 2 1 1 A 18 18 LYS C C 18 173.383 175.543 -2.160 1
1 133 . 2 1 1 A 18 18 LYS CA C 18 58.362 55.194 3.168 1
1 134 . 2 1 1 A 18 18 LYS CB C 18 33.336 33.472 -0.136 1
1 138 . 2 1 1 A 18 18 LYS N N 18 123.588 121.808 1.780 1
1 139 . 2 1 1 A 19 19 ALA H H 19 7.646 8.656 -1.010 1
1 140 . 2 1 1 A 19 19 ALA HA H 19 5.124 5.601 -0.477 1
1 144 . 2 1 1 A 19 19 ALA C C 19 176.333 176.332 0.001 1
1 145 . 2 1 1 A 19 19 ALA CA C 19 50.076 50.183 -0.107 1
1 146 . 2 1 1 A 19 19 ALA CB C 19 22.792 21.416 1.376 1
1 147 . 2 1 1 A 19 19 ALA N N 19 124.673 128.771 -4.098 1
1 148 . 2 1 1 A 20 20 PHE H H 20 8.857 8.941 -0.084 1
1 149 . 2 1 1 A 20 20 PHE HA H 20 4.653 4.765 -0.112 1
1 157 . 2 1 1 A 20 20 PHE C C 20 175.110 175.807 -0.697 1
1 158 . 2 1 1 A 20 20 PHE CA C 20 57.317 56.628 0.689 1
1 159 . 2 1 1 A 20 20 PHE CB C 20 43.327 42.530 0.797 1
1 165 . 2 1 1 A 20 20 PHE N N 20 117.387 118.377 -0.990 1
1 166 . 2 1 1 A 21 21 THR H H 21 8.729 8.632 0.097 1
1 167 . 2 1 1 A 21 21 THR HA H 21 4.005 4.276 -0.271 1
1 172 . 2 1 1 A 21 21 THR C C 21 173.500 175.005 -1.505 1
1 173 . 2 1 1 A 21 21 THR CA C 21 66.328 64.478 1.850 1
1 174 . 2 1 1 A 21 21 THR CB C 21 69.605 68.964 0.641 1
1 176 . 2 1 1 A 21 21 THR N N 21 118.703 116.656 2.047 1
1 177 . 2 1 1 A 22 22 PHE H H 22 7.767 8.043 -0.276 1
1 178 . 2 1 1 A 22 22 PHE HA H 22 5.093 4.938 0.155 1
1 186 . 2 1 1 A 22 22 PHE C C 22 176.290 175.759 0.531 1
1 187 . 2 1 1 A 22 22 PHE CA C 22 55.753 56.889 -1.136 1
1 188 . 2 1 1 A 22 22 PHE CB C 22 42.016 41.264 0.752 1
1 194 . 2 1 1 A 22 22 PHE N N 22 114.810 117.778 -2.968 1
1 195 . 2 1 1 A 23 23 LYS H H 23 8.496 8.646 -0.150 1
1 196 . 2 1 1 A 23 23 LYS HA H 23 2.922 2.980 -0.058 1
1 205 . 2 1 1 A 23 23 LYS C C 23 178.191 177.941 0.250 1
1 206 . 2 1 1 A 23 23 LYS CA C 23 59.444 59.639 -0.195 1
1 207 . 2 1 1 A 23 23 LYS CB C 23 31.569 31.753 -0.184 1
1 211 . 2 1 1 A 23 23 LYS N N 23 127.716 125.972 1.744 1
1 212 . 2 1 1 A 24 24 SER H H 24 8.519 7.932 0.587 1
1 213 . 2 1 1 A 24 24 SER HA H 24 3.838 3.968 -0.130 1
1 216 . 2 1 1 A 24 24 SER C C 24 176.778 177.064 -0.286 1
1 217 . 2 1 1 A 24 24 SER CA C 24 60.910 61.532 -0.622 1
1 218 . 2 1 1 A 24 24 SER CB C 24 61.337 62.900 -1.563 1
1 219 . 2 1 1 A 24 24 SER N N 24 111.904 113.994 -2.090 1
1 220 . 2 1 1 A 25 25 GLN H H 25 6.829 7.998 -1.169 1
1 221 . 2 1 1 A 25 25 GLN HA H 25 3.894 3.897 -0.003 1
1 228 . 2 1 1 A 25 25 GLN C C 25 178.758 178.175 0.583 1
1 229 . 2 1 1 A 25 25 GLN CA C 25 57.499 58.903 -1.404 1
1 230 . 2 1 1 A 25 25 GLN CB C 25 28.839 28.132 0.707 1
1 232 . 2 1 1 A 25 25 GLN N N 25 119.416 121.501 -2.085 1
1 234 . 2 1 1 A 26 26 LEU H H 26 6.900 7.554 -0.654 1
1 235 . 2 1 1 A 26 26 LEU HA H 26 3.218 3.041 0.177 1
1 245 . 2 1 1 A 26 26 LEU C C 26 177.322 178.562 -1.240 1
1 246 . 2 1 1 A 26 26 LEU CA C 26 57.675 57.612 0.063 1
1 247 . 2 1 1 A 26 26 LEU CB C 26 40.250 41.632 -1.382 1
1 251 . 2 1 1 A 26 26 LEU N N 26 122.040 120.295 1.745 1
1 252 . 2 1 1 A 27 27 ILE H H 27 7.967 7.937 0.030 1
1 253 . 2 1 1 A 27 27 ILE HA H 27 3.683 3.801 -0.118 1
1 263 . 2 1 1 A 27 27 ILE C C 27 179.261 178.463 0.798 1
1 264 . 2 1 1 A 27 27 ILE CA C 27 64.506 65.192 -0.686 1
1 265 . 2 1 1 A 27 27 ILE CB C 27 37.362 37.801 -0.439 1
1 269 . 2 1 1 A 27 27 ILE N N 27 118.724 119.920 -1.196 1
1 270 . 2 1 1 A 28 28 VAL H H 28 7.247 7.557 -0.310 1
1 271 . 2 1 1 A 28 28 VAL HA H 28 3.569 3.569 0.000 1
1 279 . 2 1 1 A 28 28 VAL C C 28 179.175 178.036 1.139 1
1 280 . 2 1 1 A 28 28 VAL CA C 28 66.301 66.045 0.256 1
1 281 . 2 1 1 A 28 28 VAL CB C 28 32.097 31.697 0.400 1
1 284 . 2 1 1 A 28 28 VAL N N 28 118.810 120.876 -2.066 1
1 285 . 2 1 1 A 29 29 HIS H H 29 7.552 7.961 -0.409 1
1 286 . 2 1 1 A 29 29 HIS HA H 29 4.109 4.078 0.031 1
1 291 . 2 1 1 A 29 29 HIS C C 29 175.916 176.886 -0.970 1
1 292 . 2 1 1 A 29 29 HIS CA C 29 59.370 60.031 -0.661 1
1 293 . 2 1 1 A 29 29 HIS CB C 29 28.596 29.344 -0.748 1
1 296 . 2 1 1 A 29 29 HIS N N 29 120.366 119.239 1.127 1
1 297 . 2 1 1 A 30 30 GLN H H 30 8.437 8.697 -0.260 1
1 298 . 2 1 1 A 30 30 GLN HA H 30 3.714 4.005 -0.291 1
1 305 . 2 1 1 A 30 30 GLN C C 30 177.902 177.394 0.508 1
1 306 . 2 1 1 A 30 30 GLN CA C 30 59.344 58.699 0.645 1
1 307 . 2 1 1 A 30 30 GLN CB C 30 28.168 28.365 -0.197 1
1 309 . 2 1 1 A 30 30 GLN N N 30 115.477 117.752 -2.275 1
1 311 . 2 1 1 A 31 31 GLY H H 31 7.466 7.996 -0.530 1
1 312 . 2 1 1 A 31 31 GLY HA2 H 31 3.969 3.887 0.082 1
1 313 . 2 1 1 A 31 31 GLY HA3 H 31 3.850 3.899 -0.049 1
1 314 . 2 1 1 A 31 31 GLY C C 31 175.915 174.552 1.363 1
1 315 . 2 1 1 A 31 31 GLY CA C 31 46.630 45.368 1.262 1
1 316 . 2 1 1 A 31 31 GLY N N 31 105.808 107.512 -1.704 1
1 317 . 2 1 1 A 32 32 ILE H H 32 7.806 7.587 0.219 1
1 318 . 2 1 1 A 32 32 ILE HA H 32 4.000 4.275 -0.275 1
1 328 . 2 1 1 A 32 32 ILE C C 32 177.427 176.231 1.196 1
1 329 . 2 1 1 A 32 32 ILE CA C 32 62.775 60.801 1.974 1
1 330 . 2 1 1 A 32 32 ILE CB C 32 37.641 38.557 -0.916 1
1 334 . 2 1 1 A 32 32 ILE N N 32 117.910 116.223 1.687 1
1 335 . 2 1 1 A 33 33 HIS H H 33 7.263 7.217 0.046 1
1 336 . 2 1 1 A 33 33 HIS HA H 33 4.807 4.750 0.057 1
1 341 . 2 1 1 A 33 33 HIS C C 33 175.667 175.612 0.055 1
1 342 . 2 1 1 A 33 33 HIS CA C 33 55.199 55.358 -0.159 1
1 343 . 2 1 1 A 33 33 HIS CB C 33 28.669 29.369 -0.700 1
1 346 . 2 1 1 A 33 33 HIS N N 33 118.200 120.284 -2.084 1
1 347 . 2 1 1 A 34 34 THR H H 34 7.742 7.870 -0.128 1
1 348 . 2 1 1 A 34 34 THR HA H 34 4.299 4.296 0.003 1
1 353 . 2 1 1 A 34 34 THR C C 34 175.347 175.227 0.120 1
1 354 . 2 1 1 A 34 34 THR CA C 34 62.279 62.629 -0.350 1
1 355 . 2 1 1 A 34 34 THR CB C 34 69.771 69.817 -0.046 1
1 357 . 2 1 1 A 34 34 THR N N 34 111.663 111.148 0.515 1
1 358 . 2 1 1 A 35 35 GLY H H 35 8.208 7.393 0.815 1
1 359 . 2 1 1 A 35 35 GLY HA2 H 35 3.956 4.087 -0.131 1
1 360 . 2 1 1 A 35 35 GLY HA3 H 35 3.956 4.094 -0.138 1
1 361 . 2 1 1 A 35 35 GLY C C 35 174.200 172.463 1.737 1
1 362 . 2 1 1 A 35 35 GLY CA C 35 45.464 45.735 -0.271 1
1 363 . 2 1 1 A 35 35 GLY N N 35 110.990 108.262 2.728 1
1 364 . 2 1 1 A 36 36 VAL H H 36 7.948 8.983 -1.035 1
1 365 . 2 1 1 A 36 36 VAL HA H 36 4.124 4.708 -0.584 1
1 373 . 2 1 1 A 36 36 VAL C C 36 176.269 174.480 1.789 1
1 374 . 2 1 1 A 36 36 VAL CA C 36 62.268 60.553 1.715 1
1 375 . 2 1 1 A 36 36 VAL CB C 36 32.701 35.310 -2.609 1
1 378 . 2 1 1 A 36 36 VAL N N 36 119.178 125.612 -6.434 1
1 379 . 2 1 1 A 37 37 SER H H 37 8.363 8.806 -0.443 1
1 380 . 2 1 1 A 37 37 SER HA H 37 4.451 4.690 -0.239 1
1 383 . 2 1 1 A 37 37 SER C C 37 174.469 175.320 -0.851 1
1 384 . 2 1 1 A 37 37 SER CA C 37 58.264 58.903 -0.639 1
1 385 . 2 1 1 A 37 37 SER CB C 37 64.029 63.321 0.708 1
1 386 . 2 1 1 A 37 37 SER N N 37 119.506 123.341 -3.835 1
1 387 . 2 1 1 A 38 38 GLY H H 38 8.206 8.643 -0.437 1
1 388 . 2 1 1 A 38 38 GLY HA2 H 38 4.113 4.145 -0.032 1
1 389 . 2 1 1 A 38 38 GLY HA3 H 38 4.011 4.145 -0.134 1
1 390 . 2 1 1 A 38 38 GLY C C 38 171.689 174.739 -3.050 1
1 391 . 2 1 1 A 38 38 GLY CA C 38 44.602 45.544 -0.942 1
1 392 . 2 1 1 A 38 38 GLY N N 38 110.830 115.010 -4.180 1
1 393 . 2 1 1 A 39 39 PRO HA H 39 4.416 4.300 0.116 1
1 400 . 2 1 1 A 39 39 PRO C C 39 177.347 177.527 -0.180 1
1 401 . 2 1 1 A 39 39 PRO CA C 39 63.184 64.322 -1.138 1
1 402 . 2 1 1 A 39 39 PRO CB C 39 32.171 31.872 0.299 1
1 405 . 2 1 1 A 40 40 SER H H 40 8.503 8.152 0.351 1
1 406 . 2 1 1 A 40 40 SER HA H 40 4.455 4.117 0.338 1
1 409 . 2 1 1 A 40 40 SER C C 40 174.649 173.202 1.447 1
1 410 . 2 1 1 A 40 40 SER CA C 40 58.366 59.234 -0.868 1
1 411 . 2 1 1 A 40 40 SER CB C 40 63.806 61.631 2.175 1
1 412 . 2 1 1 A 40 40 SER N N 40 116.420 114.819 1.601 1
1 413 . 2 1 1 A 41 41 SER H H 41 8.301 7.764 0.537 1
1 414 . 2 1 1 A 41 41 SER HA H 41 4.452 5.003 -0.551 1
1 417 . 2 1 1 A 41 41 SER C C 41 173.899 174.764 -0.865 1
1 418 . 2 1 1 A 41 41 SER CA C 41 58.385 56.228 2.157 1
1 419 . 2 1 1 A 41 41 SER CB C 41 64.120 66.126 -2.006 1
1 420 . 2 1 1 A 41 41 SER N N 41 117.874 111.630 6.244 1
1 1 . 3 1 1 A 6 6 SER HA H 6 4.423 5.337 -0.914 1
1 4 . 3 1 1 A 6 6 SER C C 6 174.984 173.750 1.234 1
1 5 . 3 1 1 A 6 6 SER CA C 6 58.619 57.309 1.310 1
1 6 . 3 1 1 A 6 6 SER CB C 6 63.809 64.953 -1.144 1
1 7 . 3 1 1 A 7 7 GLY H H 7 8.330 8.373 -0.043 1
1 8 . 3 1 1 A 7 7 GLY HA2 H 7 3.853 4.119 -0.266 1
1 9 . 3 1 1 A 7 7 GLY HA3 H 7 3.853 4.127 -0.274 1
1 10 . 3 1 1 A 7 7 GLY C C 7 173.978 172.769 1.209 1
1 11 . 3 1 1 A 7 7 GLY CA C 7 45.124 45.541 -0.417 1
1 12 . 3 1 1 A 7 7 GLY N N 7 110.444 111.575 -1.131 1
1 13 . 3 1 1 A 8 8 GLU H H 8 8.136 8.798 -0.662 1
1 14 . 3 1 1 A 8 8 GLU HA H 8 4.084 4.426 -0.342 1
1 19 . 3 1 1 A 8 8 GLU C C 8 176.363 175.403 0.960 1
1 20 . 3 1 1 A 8 8 GLU CA C 8 56.807 56.580 0.227 1
1 21 . 3 1 1 A 8 8 GLU CB C 8 30.323 29.884 0.439 1
1 23 . 3 1 1 A 8 8 GLU N N 8 120.206 126.164 -5.958 1
1 24 . 3 1 1 A 9 9 LYS H H 9 8.190 8.386 -0.196 1
1 25 . 3 1 1 A 9 9 LYS HA H 9 4.401 4.669 -0.268 1
1 34 . 3 1 1 A 9 9 LYS C C 9 173.724 176.295 -2.571 1
1 35 . 3 1 1 A 9 9 LYS CA C 9 53.773 53.309 0.464 1
1 36 . 3 1 1 A 9 9 LYS CB C 9 33.324 32.511 0.813 1
1 40 . 3 1 1 A 9 9 LYS N N 9 121.893 127.297 -5.404 1
1 41 . 3 1 1 A 10 10 PRO HA H 10 4.176 4.305 -0.129 1
1 48 . 3 1 1 A 10 10 PRO C C 10 176.542 176.021 0.521 1
1 49 . 3 1 1 A 10 10 PRO CA C 10 63.392 65.044 -1.652 1
1 50 . 3 1 1 A 10 10 PRO CB C 10 32.297 31.650 0.647 1
1 53 . 3 1 1 A 11 11 TYR H H 11 7.766 7.755 0.011 1
1 54 . 3 1 1 A 11 11 TYR HA H 11 4.523 4.681 -0.158 1
1 61 . 3 1 1 A 11 11 TYR C C 11 174.276 176.389 -2.113 1
1 62 . 3 1 1 A 11 11 TYR CA C 11 58.052 58.430 -0.378 1
1 63 . 3 1 1 A 11 11 TYR CB C 11 38.185 39.921 -1.736 1
1 68 . 3 1 1 A 11 11 TYR N N 11 118.946 118.202 0.744 1
1 69 . 3 1 1 A 12 12 VAL H H 12 8.434 8.777 -0.343 1
1 70 . 3 1 1 A 12 12 VAL HA H 12 4.510 4.913 -0.403 1
1 78 . 3 1 1 A 12 12 VAL C C 12 175.589 175.671 -0.082 1
1 79 . 3 1 1 A 12 12 VAL CA C 12 61.266 61.206 0.060 1
1 80 . 3 1 1 A 12 12 VAL CB C 12 34.474 35.103 -0.629 1
1 83 . 3 1 1 A 12 12 VAL N N 12 125.129 122.862 2.267 1
1 84 . 3 1 1 A 13 13 CYS H H 13 9.288 8.599 0.689 1
1 85 . 3 1 1 A 13 13 CYS HA H 13 4.486 4.417 0.069 1
1 88 . 3 1 1 A 13 13 CYS C C 13 177.453 176.226 1.227 1
1 89 . 3 1 1 A 13 13 CYS CA C 13 59.913 60.336 -0.423 1
1 90 . 3 1 1 A 13 13 CYS CB C 13 29.670 28.980 0.690 1
1 91 . 3 1 1 A 13 13 CYS N N 13 129.949 127.389 2.560 1
1 92 . 3 1 1 A 14 14 SER H H 14 9.359 9.104 0.255 1
1 93 . 3 1 1 A 14 14 SER HA H 14 4.194 4.682 -0.488 1
1 96 . 3 1 1 A 14 14 SER C C 14 174.334 174.927 -0.593 1
1 97 . 3 1 1 A 14 14 SER CA C 14 61.015 57.809 3.206 1
1 98 . 3 1 1 A 14 14 SER CB C 14 63.031 63.445 -0.414 1
1 99 . 3 1 1 A 14 14 SER N N 14 128.692 122.709 5.983 1
1 100 . 3 1 1 A 15 15 ASP H H 15 8.616 8.188 0.428 1
1 101 . 3 1 1 A 15 15 ASP HA H 15 4.495 4.745 -0.250 1
1 104 . 3 1 1 A 15 15 ASP C C 15 176.945 177.361 -0.416 1
1 105 . 3 1 1 A 15 15 ASP CA C 15 56.927 55.208 1.719 1
1 106 . 3 1 1 A 15 15 ASP CB C 15 41.300 43.166 -1.866 1
1 107 . 3 1 1 A 15 15 ASP N N 15 122.842 121.275 1.567 1
1 108 . 3 1 1 A 16 16 CYS H H 16 7.880 8.163 -0.283 1
1 109 . 3 1 1 A 16 16 CYS HA H 16 5.095 4.703 0.392 1
1 112 . 3 1 1 A 16 16 CYS C C 16 176.300 175.598 0.702 1
1 113 . 3 1 1 A 16 16 CYS CA C 16 58.641 59.638 -0.997 1
1 114 . 3 1 1 A 16 16 CYS CB C 16 32.470 30.015 2.455 1
1 115 . 3 1 1 A 16 16 CYS N N 16 114.753 114.605 0.148 1
1 116 . 3 1 1 A 17 17 GLY H H 17 8.180 8.070 0.110 1
1 117 . 3 1 1 A 17 17 GLY HA2 H 17 3.657 4.080 -0.423 1
1 118 . 3 1 1 A 17 17 GLY HA3 H 17 4.150 4.094 0.056 1
1 119 . 3 1 1 A 17 17 GLY C C 17 173.556 174.616 -1.060 1
1 120 . 3 1 1 A 17 17 GLY CA C 17 46.062 45.030 1.032 1
1 121 . 3 1 1 A 17 17 GLY N N 17 113.552 109.837 3.715 1
1 122 . 3 1 1 A 18 18 LYS H H 18 7.992 7.493 0.499 1
1 123 . 3 1 1 A 18 18 LYS HA H 18 3.843 4.298 -0.455 1
1 132 . 3 1 1 A 18 18 LYS C C 18 173.383 175.218 -1.835 1
1 133 . 3 1 1 A 18 18 LYS CA C 18 58.362 56.416 1.946 1
1 134 . 3 1 1 A 18 18 LYS CB C 18 33.336 34.197 -0.861 1
1 138 . 3 1 1 A 18 18 LYS N N 18 123.588 120.626 2.962 1
1 139 . 3 1 1 A 19 19 ALA H H 19 7.646 7.983 -0.337 1
1 140 . 3 1 1 A 19 19 ALA HA H 19 5.124 5.534 -0.410 1
1 144 . 3 1 1 A 19 19 ALA C C 19 176.333 175.101 1.232 1
1 145 . 3 1 1 A 19 19 ALA CA C 19 50.076 50.414 -0.338 1
1 146 . 3 1 1 A 19 19 ALA CB C 19 22.792 23.960 -1.168 1
1 147 . 3 1 1 A 19 19 ALA N N 19 124.673 120.440 4.233 1
1 148 . 3 1 1 A 20 20 PHE H H 20 8.857 8.901 -0.044 1
1 149 . 3 1 1 A 20 20 PHE HA H 20 4.653 4.905 -0.252 1
1 157 . 3 1 1 A 20 20 PHE C C 20 175.110 175.602 -0.492 1
1 158 . 3 1 1 A 20 20 PHE CA C 20 57.317 56.667 0.650 1
1 159 . 3 1 1 A 20 20 PHE CB C 20 43.327 43.055 0.272 1
1 165 . 3 1 1 A 20 20 PHE N N 20 117.387 116.398 0.989 1
1 166 . 3 1 1 A 21 21 THR H H 21 8.729 8.759 -0.030 1
1 167 . 3 1 1 A 21 21 THR HA H 21 4.005 4.150 -0.145 1
1 172 . 3 1 1 A 21 21 THR C C 21 173.500 174.924 -1.424 1
1 173 . 3 1 1 A 21 21 THR CA C 21 66.328 65.805 0.523 1
1 174 . 3 1 1 A 21 21 THR CB C 21 69.605 68.440 1.165 1
1 176 . 3 1 1 A 21 21 THR N N 21 118.703 116.668 2.035 1
1 177 . 3 1 1 A 22 22 PHE H H 22 7.767 7.958 -0.191 1
1 178 . 3 1 1 A 22 22 PHE HA H 22 5.093 4.780 0.313 1
1 186 . 3 1 1 A 22 22 PHE C C 22 176.290 175.947 0.343 1
1 187 . 3 1 1 A 22 22 PHE CA C 22 55.753 57.660 -1.907 1
1 188 . 3 1 1 A 22 22 PHE CB C 22 42.016 40.561 1.455 1
1 194 . 3 1 1 A 22 22 PHE N N 22 114.810 117.907 -3.097 1
1 195 . 3 1 1 A 23 23 LYS H H 23 8.496 8.517 -0.021 1
1 196 . 3 1 1 A 23 23 LYS HA H 23 2.922 2.944 -0.022 1
1 205 . 3 1 1 A 23 23 LYS C C 23 178.191 178.050 0.141 1
1 206 . 3 1 1 A 23 23 LYS CA C 23 59.444 59.836 -0.392 1
1 207 . 3 1 1 A 23 23 LYS CB C 23 31.569 31.656 -0.087 1
1 211 . 3 1 1 A 23 23 LYS N N 23 127.716 125.437 2.279 1
1 212 . 3 1 1 A 24 24 SER H H 24 8.519 8.070 0.449 1
1 213 . 3 1 1 A 24 24 SER HA H 24 3.838 4.006 -0.168 1
1 216 . 3 1 1 A 24 24 SER C C 24 176.778 176.707 0.071 1
1 217 . 3 1 1 A 24 24 SER CA C 24 60.910 61.694 -0.784 1
1 218 . 3 1 1 A 24 24 SER CB C 24 61.337 62.599 -1.262 1
1 219 . 3 1 1 A 24 24 SER N N 24 111.904 116.590 -4.686 1
1 220 . 3 1 1 A 25 25 GLN H H 25 6.829 8.156 -1.327 1
1 221 . 3 1 1 A 25 25 GLN HA H 25 3.894 3.964 -0.070 1
1 228 . 3 1 1 A 25 25 GLN C C 25 178.758 177.894 0.864 1
1 229 . 3 1 1 A 25 25 GLN CA C 25 57.499 58.794 -1.295 1
1 230 . 3 1 1 A 25 25 GLN CB C 25 28.839 28.442 0.397 1
1 232 . 3 1 1 A 25 25 GLN N N 25 119.416 120.829 -1.413 1
1 234 . 3 1 1 A 26 26 LEU H H 26 6.900 7.468 -0.568 1
1 235 . 3 1 1 A 26 26 LEU HA H 26 3.218 2.977 0.241 1
1 245 . 3 1 1 A 26 26 LEU C C 26 177.322 178.366 -1.044 1
1 246 . 3 1 1 A 26 26 LEU CA C 26 57.675 57.474 0.201 1
1 247 . 3 1 1 A 26 26 LEU CB C 26 40.250 41.547 -1.297 1
1 251 . 3 1 1 A 26 26 LEU N N 26 122.040 120.395 1.645 1
1 252 . 3 1 1 A 27 27 ILE H H 27 7.967 8.227 -0.260 1
1 253 . 3 1 1 A 27 27 ILE HA H 27 3.683 3.610 0.073 1
1 263 . 3 1 1 A 27 27 ILE C C 27 179.261 178.509 0.752 1
1 264 . 3 1 1 A 27 27 ILE CA C 27 64.506 65.215 -0.709 1
1 265 . 3 1 1 A 27 27 ILE CB C 27 37.362 37.713 -0.351 1
1 269 . 3 1 1 A 27 27 ILE N N 27 118.724 120.076 -1.352 1
1 270 . 3 1 1 A 28 28 VAL H H 28 7.247 7.941 -0.694 1
1 271 . 3 1 1 A 28 28 VAL HA H 28 3.569 3.463 0.106 1
1 279 . 3 1 1 A 28 28 VAL C C 28 179.175 178.286 0.889 1
1 280 . 3 1 1 A 28 28 VAL CA C 28 66.301 66.054 0.247 1
1 281 . 3 1 1 A 28 28 VAL CB C 28 32.097 31.770 0.327 1
1 284 . 3 1 1 A 28 28 VAL N N 28 118.810 120.758 -1.948 1
1 285 . 3 1 1 A 29 29 HIS H H 29 7.552 7.715 -0.163 1
1 286 . 3 1 1 A 29 29 HIS HA H 29 4.109 4.035 0.074 1
1 291 . 3 1 1 A 29 29 HIS C C 29 175.916 176.488 -0.572 1
1 292 . 3 1 1 A 29 29 HIS CA C 29 59.370 59.998 -0.628 1
1 293 . 3 1 1 A 29 29 HIS CB C 29 28.596 29.395 -0.799 1
1 296 . 3 1 1 A 29 29 HIS N N 29 120.366 119.127 1.239 1
1 297 . 3 1 1 A 30 30 GLN H H 30 8.437 8.269 0.168 1
1 298 . 3 1 1 A 30 30 GLN HA H 30 3.714 3.799 -0.085 1
1 305 . 3 1 1 A 30 30 GLN C C 30 177.902 179.170 -1.268 1
1 306 . 3 1 1 A 30 30 GLN CA C 30 59.344 58.628 0.716 1
1 307 . 3 1 1 A 30 30 GLN CB C 30 28.168 28.235 -0.067 1
1 309 . 3 1 1 A 30 30 GLN N N 30 115.477 116.862 -1.385 1
1 311 . 3 1 1 A 31 31 GLY H H 31 7.466 8.198 -0.732 1
1 312 . 3 1 1 A 31 31 GLY HA2 H 31 3.969 3.639 0.330 1
1 313 . 3 1 1 A 31 31 GLY HA3 H 31 3.850 3.656 0.194 1
1 314 . 3 1 1 A 31 31 GLY C C 31 175.915 176.012 -0.097 1
1 315 . 3 1 1 A 31 31 GLY CA C 31 46.630 47.296 -0.666 1
1 316 . 3 1 1 A 31 31 GLY N N 31 105.808 108.901 -3.093 1
1 317 . 3 1 1 A 32 32 ILE H H 32 7.806 8.288 -0.482 1
1 318 . 3 1 1 A 32 32 ILE HA H 32 4.000 3.751 0.249 1
1 328 . 3 1 1 A 32 32 ILE C C 32 177.427 177.596 -0.169 1
1 329 . 3 1 1 A 32 32 ILE CA C 32 62.775 64.401 -1.626 1
1 330 . 3 1 1 A 32 32 ILE CB C 32 37.641 37.376 0.265 1
1 334 . 3 1 1 A 32 32 ILE N N 32 117.910 120.244 -2.334 1
1 335 . 3 1 1 A 33 33 HIS H H 33 7.263 7.414 -0.151 1
1 336 . 3 1 1 A 33 33 HIS HA H 33 4.807 4.358 0.449 1
1 341 . 3 1 1 A 33 33 HIS C C 33 175.667 176.317 -0.650 1
1 342 . 3 1 1 A 33 33 HIS CA C 33 55.199 58.879 -3.680 1
1 343 . 3 1 1 A 33 33 HIS CB C 33 28.669 30.177 -1.508 1
1 346 . 3 1 1 A 33 33 HIS N N 33 118.200 119.595 -1.395 1
1 347 . 3 1 1 A 34 34 THR H H 34 7.742 7.511 0.231 1
1 348 . 3 1 1 A 34 34 THR HA H 34 4.299 4.170 0.129 1
1 353 . 3 1 1 A 34 34 THR C C 34 175.347 174.634 0.713 1
1 354 . 3 1 1 A 34 34 THR CA C 34 62.279 63.038 -0.759 1
1 355 . 3 1 1 A 34 34 THR CB C 34 69.771 69.206 0.565 1
1 357 . 3 1 1 A 34 34 THR N N 34 111.663 111.407 0.256 1
1 358 . 3 1 1 A 35 35 GLY H H 35 8.208 8.342 -0.134 1
1 359 . 3 1 1 A 35 35 GLY HA2 H 35 3.956 4.005 -0.049 1
1 360 . 3 1 1 A 35 35 GLY HA3 H 35 3.956 4.006 -0.050 1
1 361 . 3 1 1 A 35 35 GLY C C 35 174.200 174.464 -0.264 1
1 362 . 3 1 1 A 35 35 GLY CA C 35 45.464 45.527 -0.063 1
1 363 . 3 1 1 A 35 35 GLY N N 35 110.990 114.496 -3.506 1
1 364 . 3 1 1 A 36 36 VAL H H 36 7.948 7.852 0.096 1
1 365 . 3 1 1 A 36 36 VAL HA H 36 4.124 4.072 0.052 1
1 373 . 3 1 1 A 36 36 VAL C C 36 176.269 175.230 1.039 1
1 374 . 3 1 1 A 36 36 VAL CA C 36 62.268 62.337 -0.069 1
1 375 . 3 1 1 A 36 36 VAL CB C 36 32.701 32.188 0.513 1
1 378 . 3 1 1 A 36 36 VAL N N 36 119.178 120.314 -1.136 1
1 379 . 3 1 1 A 37 37 SER H H 37 8.363 8.697 -0.334 1
1 380 . 3 1 1 A 37 37 SER HA H 37 4.451 5.150 -0.699 1
1 383 . 3 1 1 A 37 37 SER C C 37 174.469 173.313 1.156 1
1 384 . 3 1 1 A 37 37 SER CA C 37 58.264 56.910 1.354 1
1 385 . 3 1 1 A 37 37 SER CB C 37 64.029 65.947 -1.918 1
1 386 . 3 1 1 A 37 37 SER N N 37 119.506 119.581 -0.075 1
1 387 . 3 1 1 A 38 38 GLY H H 38 8.206 8.332 -0.126 1
1 388 . 3 1 1 A 38 38 GLY HA2 H 38 4.113 4.020 0.093 1
1 389 . 3 1 1 A 38 38 GLY HA3 H 38 4.011 4.020 -0.009 1
1 390 . 3 1 1 A 38 38 GLY C C 38 171.689 174.500 -2.811 1
1 391 . 3 1 1 A 38 38 GLY CA C 38 44.602 45.639 -1.037 1
1 392 . 3 1 1 A 38 38 GLY N N 38 110.830 113.705 -2.875 1
1 393 . 3 1 1 A 39 39 PRO HA H 39 4.416 4.623 -0.207 1
1 400 . 3 1 1 A 39 39 PRO C C 39 177.347 176.312 1.035 1
1 401 . 3 1 1 A 39 39 PRO CA C 39 63.184 62.703 0.481 1
1 402 . 3 1 1 A 39 39 PRO CB C 39 32.171 32.787 -0.616 1
1 405 . 3 1 1 A 40 40 SER H H 40 8.503 8.330 0.173 1
1 406 . 3 1 1 A 40 40 SER HA H 40 4.455 4.897 -0.442 1
1 409 . 3 1 1 A 40 40 SER C C 40 174.649 174.548 0.101 1
1 410 . 3 1 1 A 40 40 SER CA C 40 58.366 57.097 1.269 1
1 411 . 3 1 1 A 40 40 SER CB C 40 63.806 63.575 0.231 1
1 412 . 3 1 1 A 40 40 SER N N 40 116.420 115.759 0.661 1
1 413 . 3 1 1 A 41 41 SER H H 41 8.301 8.681 -0.380 1
1 414 . 3 1 1 A 41 41 SER HA H 41 4.452 4.181 0.271 1
1 417 . 3 1 1 A 41 41 SER C C 41 173.899 176.905 -3.006 1
1 418 . 3 1 1 A 41 41 SER CA C 41 58.385 61.264 -2.879 1
1 419 . 3 1 1 A 41 41 SER CB C 41 64.120 63.026 1.094 1
1 420 . 3 1 1 A 41 41 SER N N 41 117.874 121.203 -3.329 1
1 1 . 4 1 1 A 6 6 SER HA H 6 4.423 4.805 -0.382 1
1 4 . 4 1 1 A 6 6 SER C C 6 174.984 172.506 2.478 1
1 5 . 4 1 1 A 6 6 SER CA C 6 58.619 57.189 1.430 1
1 6 . 4 1 1 A 6 6 SER CB C 6 63.809 65.250 -1.441 1
1 7 . 4 1 1 A 7 7 GLY H H 7 8.330 8.950 -0.620 1
1 8 . 4 1 1 A 7 7 GLY HA2 H 7 3.853 4.220 -0.367 1
1 9 . 4 1 1 A 7 7 GLY HA3 H 7 3.853 4.221 -0.368 1
1 10 . 4 1 1 A 7 7 GLY C C 7 173.978 172.320 1.658 1
1 11 . 4 1 1 A 7 7 GLY CA C 7 45.124 45.676 -0.552 1
1 12 . 4 1 1 A 7 7 GLY N N 7 110.444 113.763 -3.319 1
1 13 . 4 1 1 A 8 8 GLU H H 8 8.136 8.863 -0.727 1
1 14 . 4 1 1 A 8 8 GLU HA H 8 4.084 4.926 -0.842 1
1 19 . 4 1 1 A 8 8 GLU C C 8 176.363 175.472 0.891 1
1 20 . 4 1 1 A 8 8 GLU CA C 8 56.807 55.441 1.366 1
1 21 . 4 1 1 A 8 8 GLU CB C 8 30.323 31.230 -0.907 1
1 23 . 4 1 1 A 8 8 GLU N N 8 120.206 125.573 -5.367 1
1 24 . 4 1 1 A 9 9 LYS H H 9 8.190 8.743 -0.553 1
1 25 . 4 1 1 A 9 9 LYS HA H 9 4.401 4.511 -0.110 1
1 34 . 4 1 1 A 9 9 LYS C C 9 173.724 176.602 -2.878 1
1 35 . 4 1 1 A 9 9 LYS CA C 9 53.773 54.262 -0.489 1
1 36 . 4 1 1 A 9 9 LYS CB C 9 33.324 31.970 1.354 1
1 40 . 4 1 1 A 9 9 LYS N N 9 121.893 127.338 -5.445 1
1 41 . 4 1 1 A 10 10 PRO HA H 10 4.176 4.301 -0.125 1
1 48 . 4 1 1 A 10 10 PRO C C 10 176.542 175.933 0.609 1
1 49 . 4 1 1 A 10 10 PRO CA C 10 63.392 65.037 -1.645 1
1 50 . 4 1 1 A 10 10 PRO CB C 10 32.297 31.573 0.724 1
1 53 . 4 1 1 A 11 11 TYR H H 11 7.766 7.725 0.041 1
1 54 . 4 1 1 A 11 11 TYR HA H 11 4.523 4.696 -0.173 1
1 61 . 4 1 1 A 11 11 TYR C C 11 174.276 176.481 -2.205 1
1 62 . 4 1 1 A 11 11 TYR CA C 11 58.052 58.462 -0.410 1
1 63 . 4 1 1 A 11 11 TYR CB C 11 38.185 39.919 -1.734 1
1 68 . 4 1 1 A 11 11 TYR N N 11 118.946 118.219 0.727 1
1 69 . 4 1 1 A 12 12 VAL H H 12 8.434 8.756 -0.322 1
1 70 . 4 1 1 A 12 12 VAL HA H 12 4.510 4.804 -0.294 1
1 78 . 4 1 1 A 12 12 VAL C C 12 175.589 175.068 0.521 1
1 79 . 4 1 1 A 12 12 VAL CA C 12 61.266 61.551 -0.285 1
1 80 . 4 1 1 A 12 12 VAL CB C 12 34.474 35.315 -0.841 1
1 83 . 4 1 1 A 12 12 VAL N N 12 125.129 121.713 3.416 1
1 84 . 4 1 1 A 13 13 CYS H H 13 9.288 9.456 -0.168 1
1 85 . 4 1 1 A 13 13 CYS HA H 13 4.486 4.594 -0.108 1
1 88 . 4 1 1 A 13 13 CYS C C 13 177.453 174.829 2.624 1
1 89 . 4 1 1 A 13 13 CYS CA C 13 59.913 60.111 -0.198 1
1 90 . 4 1 1 A 13 13 CYS CB C 13 29.670 29.022 0.648 1
1 91 . 4 1 1 A 13 13 CYS N N 13 129.949 127.352 2.597 1
1 92 . 4 1 1 A 14 14 SER H H 14 9.359 9.051 0.308 1
1 93 . 4 1 1 A 14 14 SER HA H 14 4.194 4.497 -0.303 1
1 96 . 4 1 1 A 14 14 SER C C 14 174.334 175.634 -1.300 1
1 97 . 4 1 1 A 14 14 SER CA C 14 61.015 59.946 1.069 1
1 98 . 4 1 1 A 14 14 SER CB C 14 63.031 64.311 -1.280 1
1 99 . 4 1 1 A 14 14 SER N N 14 128.692 119.842 8.850 1
1 100 . 4 1 1 A 15 15 ASP H H 15 8.616 7.801 0.815 1
1 101 . 4 1 1 A 15 15 ASP HA H 15 4.495 4.211 0.284 1
1 104 . 4 1 1 A 15 15 ASP C C 15 176.945 177.682 -0.737 1
1 105 . 4 1 1 A 15 15 ASP CA C 15 56.927 57.371 -0.444 1
1 106 . 4 1 1 A 15 15 ASP CB C 15 41.300 41.225 0.075 1
1 107 . 4 1 1 A 15 15 ASP N N 15 122.842 121.203 1.639 1
1 108 . 4 1 1 A 16 16 CYS H H 16 7.880 7.425 0.455 1
1 109 . 4 1 1 A 16 16 CYS HA H 16 5.095 4.585 0.510 1
1 112 . 4 1 1 A 16 16 CYS C C 16 176.300 175.354 0.946 1
1 113 . 4 1 1 A 16 16 CYS CA C 16 58.641 59.673 -1.032 1
1 114 . 4 1 1 A 16 16 CYS CB C 16 32.470 29.658 2.812 1
1 115 . 4 1 1 A 16 16 CYS N N 16 114.753 114.563 0.190 1
1 116 . 4 1 1 A 17 17 GLY H H 17 8.180 8.317 -0.137 1
1 117 . 4 1 1 A 17 17 GLY HA2 H 17 3.657 4.062 -0.405 1
1 118 . 4 1 1 A 17 17 GLY HA3 H 17 4.150 4.090 0.060 1
1 119 . 4 1 1 A 17 17 GLY C C 17 173.556 174.541 -0.985 1
1 120 . 4 1 1 A 17 17 GLY CA C 17 46.062 45.345 0.717 1
1 121 . 4 1 1 A 17 17 GLY N N 17 113.552 110.420 3.132 1
1 122 . 4 1 1 A 18 18 LYS H H 18 7.992 7.643 0.349 1
1 123 . 4 1 1 A 18 18 LYS HA H 18 3.843 4.294 -0.451 1
1 132 . 4 1 1 A 18 18 LYS C C 18 173.383 175.748 -2.365 1
1 133 . 4 1 1 A 18 18 LYS CA C 18 58.362 55.568 2.794 1
1 134 . 4 1 1 A 18 18 LYS CB C 18 33.336 33.370 -0.034 1
1 138 . 4 1 1 A 18 18 LYS N N 18 123.588 122.074 1.514 1
1 139 . 4 1 1 A 19 19 ALA H H 19 7.646 8.310 -0.664 1
1 140 . 4 1 1 A 19 19 ALA HA H 19 5.124 4.982 0.142 1
1 144 . 4 1 1 A 19 19 ALA C C 19 176.333 176.680 -0.347 1
1 145 . 4 1 1 A 19 19 ALA CA C 19 50.076 51.495 -1.419 1
1 146 . 4 1 1 A 19 19 ALA CB C 19 22.792 20.486 2.306 1
1 147 . 4 1 1 A 19 19 ALA N N 19 124.673 128.236 -3.563 1
1 148 . 4 1 1 A 20 20 PHE H H 20 8.857 8.917 -0.060 1
1 149 . 4 1 1 A 20 20 PHE HA H 20 4.653 4.927 -0.274 1
1 157 . 4 1 1 A 20 20 PHE C C 20 175.110 175.792 -0.682 1
1 158 . 4 1 1 A 20 20 PHE CA C 20 57.317 56.963 0.354 1
1 159 . 4 1 1 A 20 20 PHE CB C 20 43.327 42.809 0.518 1
1 165 . 4 1 1 A 20 20 PHE N N 20 117.387 118.102 -0.715 1
1 166 . 4 1 1 A 21 21 THR H H 21 8.729 8.758 -0.029 1
1 167 . 4 1 1 A 21 21 THR HA H 21 4.005 4.296 -0.291 1
1 172 . 4 1 1 A 21 21 THR C C 21 173.500 175.129 -1.629 1
1 173 . 4 1 1 A 21 21 THR CA C 21 66.328 65.612 0.716 1
1 174 . 4 1 1 A 21 21 THR CB C 21 69.605 68.877 0.728 1
1 176 . 4 1 1 A 21 21 THR N N 21 118.703 117.101 1.602 1
1 177 . 4 1 1 A 22 22 PHE H H 22 7.767 8.276 -0.509 1
1 178 . 4 1 1 A 22 22 PHE HA H 22 5.093 4.969 0.124 1
1 186 . 4 1 1 A 22 22 PHE C C 22 176.290 175.574 0.716 1
1 187 . 4 1 1 A 22 22 PHE CA C 22 55.753 56.914 -1.161 1
1 188 . 4 1 1 A 22 22 PHE CB C 22 42.016 41.325 0.691 1
1 194 . 4 1 1 A 22 22 PHE N N 22 114.810 117.726 -2.916 1
1 195 . 4 1 1 A 23 23 LYS H H 23 8.496 8.461 0.035 1
1 196 . 4 1 1 A 23 23 LYS HA H 23 2.922 3.016 -0.094 1
1 205 . 4 1 1 A 23 23 LYS C C 23 178.191 177.815 0.376 1
1 206 . 4 1 1 A 23 23 LYS CA C 23 59.444 59.752 -0.308 1
1 207 . 4 1 1 A 23 23 LYS CB C 23 31.569 31.682 -0.113 1
1 211 . 4 1 1 A 23 23 LYS N N 23 127.716 124.350 3.366 1
1 212 . 4 1 1 A 24 24 SER H H 24 8.519 8.390 0.129 1
1 213 . 4 1 1 A 24 24 SER HA H 24 3.838 4.095 -0.257 1
1 216 . 4 1 1 A 24 24 SER C C 24 176.778 177.165 -0.387 1
1 217 . 4 1 1 A 24 24 SER CA C 24 60.910 61.056 -0.146 1
1 218 . 4 1 1 A 24 24 SER CB C 24 61.337 62.567 -1.230 1
1 219 . 4 1 1 A 24 24 SER N N 24 111.904 115.454 -3.550 1
1 220 . 4 1 1 A 25 25 GLN H H 25 6.829 8.076 -1.247 1
1 221 . 4 1 1 A 25 25 GLN HA H 25 3.894 3.948 -0.054 1
1 228 . 4 1 1 A 25 25 GLN C C 25 178.758 178.227 0.531 1
1 229 . 4 1 1 A 25 25 GLN CA C 25 57.499 59.039 -1.540 1
1 230 . 4 1 1 A 25 25 GLN CB C 25 28.839 28.317 0.522 1
1 232 . 4 1 1 A 25 25 GLN N N 25 119.416 121.442 -2.026 1
1 234 . 4 1 1 A 26 26 LEU H H 26 6.900 7.395 -0.495 1
1 235 . 4 1 1 A 26 26 LEU HA H 26 3.218 2.841 0.377 1
1 245 . 4 1 1 A 26 26 LEU C C 26 177.322 178.604 -1.282 1
1 246 . 4 1 1 A 26 26 LEU CA C 26 57.675 57.612 0.063 1
1 247 . 4 1 1 A 26 26 LEU CB C 26 40.250 41.553 -1.303 1
1 251 . 4 1 1 A 26 26 LEU N N 26 122.040 120.668 1.372 1
1 252 . 4 1 1 A 27 27 ILE H H 27 7.967 7.934 0.033 1
1 253 . 4 1 1 A 27 27 ILE HA H 27 3.683 3.546 0.137 1
1 263 . 4 1 1 A 27 27 ILE C C 27 179.261 178.603 0.658 1
1 264 . 4 1 1 A 27 27 ILE CA C 27 64.506 65.281 -0.775 1
1 265 . 4 1 1 A 27 27 ILE CB C 27 37.362 37.812 -0.450 1
1 269 . 4 1 1 A 27 27 ILE N N 27 118.724 119.978 -1.254 1
1 270 . 4 1 1 A 28 28 VAL H H 28 7.247 8.044 -0.797 1
1 271 . 4 1 1 A 28 28 VAL HA H 28 3.569 3.477 0.092 1
1 279 . 4 1 1 A 28 28 VAL C C 28 179.175 178.351 0.824 1
1 280 . 4 1 1 A 28 28 VAL CA C 28 66.301 66.241 0.060 1
1 281 . 4 1 1 A 28 28 VAL CB C 28 32.097 31.625 0.472 1
1 284 . 4 1 1 A 28 28 VAL N N 28 118.810 120.042 -1.232 1
1 285 . 4 1 1 A 29 29 HIS H H 29 7.552 8.045 -0.493 1
1 286 . 4 1 1 A 29 29 HIS HA H 29 4.109 4.067 0.042 1
1 291 . 4 1 1 A 29 29 HIS C C 29 175.916 176.510 -0.594 1
1 292 . 4 1 1 A 29 29 HIS CA C 29 59.370 59.882 -0.512 1
1 293 . 4 1 1 A 29 29 HIS CB C 29 28.596 29.527 -0.931 1
1 296 . 4 1 1 A 29 29 HIS N N 29 120.366 119.323 1.043 1
1 297 . 4 1 1 A 30 30 GLN H H 30 8.437 8.387 0.050 1
1 298 . 4 1 1 A 30 30 GLN HA H 30 3.714 3.840 -0.126 1
1 305 . 4 1 1 A 30 30 GLN C C 30 177.902 179.186 -1.284 1
1 306 . 4 1 1 A 30 30 GLN CA C 30 59.344 58.639 0.705 1
1 307 . 4 1 1 A 30 30 GLN CB C 30 28.168 28.274 -0.106 1
1 309 . 4 1 1 A 30 30 GLN N N 30 115.477 117.103 -1.626 1
1 311 . 4 1 1 A 31 31 GLY H H 31 7.466 8.253 -0.787 1
1 312 . 4 1 1 A 31 31 GLY HA2 H 31 3.969 3.651 0.318 1
1 313 . 4 1 1 A 31 31 GLY HA3 H 31 3.850 3.669 0.181 1
1 314 . 4 1 1 A 31 31 GLY C C 31 175.915 175.887 0.028 1
1 315 . 4 1 1 A 31 31 GLY CA C 31 46.630 47.177 -0.547 1
1 316 . 4 1 1 A 31 31 GLY N N 31 105.808 109.107 -3.299 1
1 317 . 4 1 1 A 32 32 ILE H H 32 7.806 8.055 -0.249 1
1 318 . 4 1 1 A 32 32 ILE HA H 32 4.000 3.758 0.242 1
1 328 . 4 1 1 A 32 32 ILE C C 32 177.427 177.681 -0.254 1
1 329 . 4 1 1 A 32 32 ILE CA C 32 62.775 64.456 -1.681 1
1 330 . 4 1 1 A 32 32 ILE CB C 32 37.641 37.385 0.256 1
1 334 . 4 1 1 A 32 32 ILE N N 32 117.910 120.319 -2.409 1
1 335 . 4 1 1 A 33 33 HIS H H 33 7.263 7.510 -0.247 1
1 336 . 4 1 1 A 33 33 HIS HA H 33 4.807 4.376 0.431 1
1 341 . 4 1 1 A 33 33 HIS C C 33 175.667 176.602 -0.935 1
1 342 . 4 1 1 A 33 33 HIS CA C 33 55.199 59.636 -4.437 1
1 343 . 4 1 1 A 33 33 HIS CB C 33 28.669 30.176 -1.507 1
1 346 . 4 1 1 A 33 33 HIS N N 33 118.200 120.850 -2.650 1
1 347 . 4 1 1 A 34 34 THR H H 34 7.742 7.403 0.339 1
1 348 . 4 1 1 A 34 34 THR HA H 34 4.299 4.374 -0.075 1
1 353 . 4 1 1 A 34 34 THR C C 34 175.347 173.648 1.699 1
1 354 . 4 1 1 A 34 34 THR CA C 34 62.279 61.532 0.747 1
1 355 . 4 1 1 A 34 34 THR CB C 34 69.771 68.729 1.042 1
1 357 . 4 1 1 A 34 34 THR N N 34 111.663 112.045 -0.382 1
1 358 . 4 1 1 A 35 35 GLY H H 35 8.208 7.514 0.694 1
1 359 . 4 1 1 A 35 35 GLY HA2 H 35 3.956 4.157 -0.201 1
1 360 . 4 1 1 A 35 35 GLY HA3 H 35 3.956 4.168 -0.212 1
1 361 . 4 1 1 A 35 35 GLY C C 35 174.200 171.936 2.264 1
1 362 . 4 1 1 A 35 35 GLY CA C 35 45.464 46.015 -0.551 1
1 363 . 4 1 1 A 35 35 GLY N N 35 110.990 110.167 0.823 1
1 364 . 4 1 1 A 36 36 VAL H H 36 7.948 8.363 -0.415 1
1 365 . 4 1 1 A 36 36 VAL HA H 36 4.124 4.771 -0.647 1
1 373 . 4 1 1 A 36 36 VAL C C 36 176.269 174.720 1.549 1
1 374 . 4 1 1 A 36 36 VAL CA C 36 62.268 61.081 1.187 1
1 375 . 4 1 1 A 36 36 VAL CB C 36 32.701 33.461 -0.760 1
1 378 . 4 1 1 A 36 36 VAL N N 36 119.178 122.639 -3.461 1
1 379 . 4 1 1 A 37 37 SER H H 37 8.363 8.976 -0.613 1
1 380 . 4 1 1 A 37 37 SER HA H 37 4.451 5.177 -0.726 1
1 383 . 4 1 1 A 37 37 SER C C 37 174.469 173.517 0.952 1
1 384 . 4 1 1 A 37 37 SER CA C 37 58.264 56.004 2.260 1
1 385 . 4 1 1 A 37 37 SER CB C 37 64.029 66.269 -2.240 1
1 386 . 4 1 1 A 37 37 SER N N 37 119.506 122.003 -2.497 1
1 387 . 4 1 1 A 38 38 GLY H H 38 8.206 8.412 -0.206 1
1 388 . 4 1 1 A 38 38 GLY HA2 H 38 4.113 4.074 0.039 1
1 389 . 4 1 1 A 38 38 GLY HA3 H 38 4.011 4.075 -0.064 1
1 390 . 4 1 1 A 38 38 GLY C C 38 171.689 173.232 -1.543 1
1 391 . 4 1 1 A 38 38 GLY CA C 38 44.602 45.724 -1.122 1
1 392 . 4 1 1 A 38 38 GLY N N 38 110.830 111.517 -0.687 1
1 393 . 4 1 1 A 39 39 PRO HA H 39 4.416 4.680 -0.264 1
1 400 . 4 1 1 A 39 39 PRO C C 39 177.347 176.235 1.112 1
1 401 . 4 1 1 A 39 39 PRO CA C 39 63.184 62.790 0.394 1
1 402 . 4 1 1 A 39 39 PRO CB C 39 32.171 31.805 0.366 1
1 405 . 4 1 1 A 40 40 SER H H 40 8.503 8.434 0.069 1
1 406 . 4 1 1 A 40 40 SER HA H 40 4.455 5.261 -0.806 1
1 409 . 4 1 1 A 40 40 SER C C 40 174.649 173.373 1.276 1
1 410 . 4 1 1 A 40 40 SER CA C 40 58.366 57.227 1.139 1
1 411 . 4 1 1 A 40 40 SER CB C 40 63.806 66.166 -2.360 1
1 412 . 4 1 1 A 40 40 SER N N 40 116.420 114.892 1.528 1
1 413 . 4 1 1 A 41 41 SER H H 41 8.301 8.721 -0.420 1
1 414 . 4 1 1 A 41 41 SER HA H 41 4.452 4.646 -0.194 1
1 417 . 4 1 1 A 41 41 SER C C 41 173.899 174.688 -0.789 1
1 418 . 4 1 1 A 41 41 SER CA C 41 58.385 58.670 -0.285 1
1 419 . 4 1 1 A 41 41 SER CB C 41 64.120 64.336 -0.216 1
1 420 . 4 1 1 A 41 41 SER N N 41 117.874 114.367 3.507 1
1 1 . 5 1 1 A 6 6 SER HA H 6 4.423 4.872 -0.449 1
1 4 . 5 1 1 A 6 6 SER C C 6 174.984 172.428 2.556 1
1 5 . 5 1 1 A 6 6 SER CA C 6 58.619 57.508 1.111 1
1 6 . 5 1 1 A 6 6 SER CB C 6 63.809 67.516 -3.707 1
1 7 . 5 1 1 A 7 7 GLY H H 7 8.330 8.437 -0.107 1
1 8 . 5 1 1 A 7 7 GLY HA2 H 7 3.853 3.972 -0.119 1
1 9 . 5 1 1 A 7 7 GLY HA3 H 7 3.853 3.978 -0.125 1
1 10 . 5 1 1 A 7 7 GLY C C 7 173.978 173.401 0.577 1
1 11 . 5 1 1 A 7 7 GLY CA C 7 45.124 46.285 -1.161 1
1 12 . 5 1 1 A 7 7 GLY N N 7 110.444 110.985 -0.541 1
1 13 . 5 1 1 A 8 8 GLU H H 8 8.136 8.835 -0.699 1
1 14 . 5 1 1 A 8 8 GLU HA H 8 4.084 4.612 -0.528 1
1 19 . 5 1 1 A 8 8 GLU C C 8 176.363 175.175 1.188 1
1 20 . 5 1 1 A 8 8 GLU CA C 8 56.807 55.603 1.204 1
1 21 . 5 1 1 A 8 8 GLU CB C 8 30.323 29.611 0.712 1
1 23 . 5 1 1 A 8 8 GLU N N 8 120.206 122.758 -2.552 1
1 24 . 5 1 1 A 9 9 LYS H H 9 8.190 8.110 0.080 1
1 25 . 5 1 1 A 9 9 LYS HA H 9 4.401 4.834 -0.433 1
1 34 . 5 1 1 A 9 9 LYS C C 9 173.724 176.025 -2.301 1
1 35 . 5 1 1 A 9 9 LYS CA C 9 53.773 53.008 0.765 1
1 36 . 5 1 1 A 9 9 LYS CB C 9 33.324 34.420 -1.096 1
1 40 . 5 1 1 A 9 9 LYS N N 9 121.893 124.956 -3.063 1
1 41 . 5 1 1 A 10 10 PRO HA H 10 4.176 4.343 -0.167 1
1 48 . 5 1 1 A 10 10 PRO C C 10 176.542 176.057 0.485 1
1 49 . 5 1 1 A 10 10 PRO CA C 10 63.392 64.964 -1.572 1
1 50 . 5 1 1 A 10 10 PRO CB C 10 32.297 31.669 0.628 1
1 53 . 5 1 1 A 11 11 TYR H H 11 7.766 7.236 0.530 1
1 54 . 5 1 1 A 11 11 TYR HA H 11 4.523 4.723 -0.200 1
1 61 . 5 1 1 A 11 11 TYR C C 11 174.276 176.491 -2.215 1
1 62 . 5 1 1 A 11 11 TYR CA C 11 58.052 58.555 -0.503 1
1 63 . 5 1 1 A 11 11 TYR CB C 11 38.185 39.900 -1.715 1
1 68 . 5 1 1 A 11 11 TYR N N 11 118.946 118.228 0.718 1
1 69 . 5 1 1 A 12 12 VAL H H 12 8.434 8.758 -0.324 1
1 70 . 5 1 1 A 12 12 VAL HA H 12 4.510 4.698 -0.188 1
1 78 . 5 1 1 A 12 12 VAL C C 12 175.589 174.913 0.676 1
1 79 . 5 1 1 A 12 12 VAL CA C 12 61.266 61.175 0.091 1
1 80 . 5 1 1 A 12 12 VAL CB C 12 34.474 35.361 -0.887 1
1 83 . 5 1 1 A 12 12 VAL N N 12 125.129 122.473 2.656 1
1 84 . 5 1 1 A 13 13 CYS H H 13 9.288 9.424 -0.136 1
1 85 . 5 1 1 A 13 13 CYS HA H 13 4.486 4.661 -0.175 1
1 88 . 5 1 1 A 13 13 CYS C C 13 177.453 174.777 2.676 1
1 89 . 5 1 1 A 13 13 CYS CA C 13 59.913 59.968 -0.055 1
1 90 . 5 1 1 A 13 13 CYS CB C 13 29.670 28.876 0.794 1
1 91 . 5 1 1 A 13 13 CYS N N 13 129.949 127.222 2.727 1
1 92 . 5 1 1 A 14 14 SER H H 14 9.359 8.871 0.488 1
1 93 . 5 1 1 A 14 14 SER HA H 14 4.194 4.543 -0.349 1
1 96 . 5 1 1 A 14 14 SER C C 14 174.334 175.415 -1.081 1
1 97 . 5 1 1 A 14 14 SER CA C 14 61.015 60.607 0.408 1
1 98 . 5 1 1 A 14 14 SER CB C 14 63.031 64.209 -1.178 1
1 99 . 5 1 1 A 14 14 SER N N 14 128.692 119.501 9.191 1
1 100 . 5 1 1 A 15 15 ASP H H 15 8.616 7.804 0.812 1
1 101 . 5 1 1 A 15 15 ASP HA H 15 4.495 4.211 0.284 1
1 104 . 5 1 1 A 15 15 ASP C C 15 176.945 177.969 -1.024 1
1 105 . 5 1 1 A 15 15 ASP CA C 15 56.927 57.175 -0.248 1
1 106 . 5 1 1 A 15 15 ASP CB C 15 41.300 39.946 1.354 1
1 107 . 5 1 1 A 15 15 ASP N N 15 122.842 122.063 0.779 1
1 108 . 5 1 1 A 16 16 CYS H H 16 7.880 7.365 0.515 1
1 109 . 5 1 1 A 16 16 CYS HA H 16 5.095 4.603 0.492 1
1 112 . 5 1 1 A 16 16 CYS C C 16 176.300 175.311 0.989 1
1 113 . 5 1 1 A 16 16 CYS CA C 16 58.641 59.791 -1.150 1
1 114 . 5 1 1 A 16 16 CYS CB C 16 32.470 29.540 2.930 1
1 115 . 5 1 1 A 16 16 CYS N N 16 114.753 113.671 1.082 1
1 116 . 5 1 1 A 17 17 GLY H H 17 8.180 8.273 -0.093 1
1 117 . 5 1 1 A 17 17 GLY HA2 H 17 3.657 4.061 -0.404 1
1 118 . 5 1 1 A 17 17 GLY HA3 H 17 4.150 4.087 0.063 1
1 119 . 5 1 1 A 17 17 GLY C C 17 173.556 174.527 -0.971 1
1 120 . 5 1 1 A 17 17 GLY CA C 17 46.062 45.359 0.703 1
1 121 . 5 1 1 A 17 17 GLY N N 17 113.552 110.361 3.191 1
1 122 . 5 1 1 A 18 18 LYS H H 18 7.992 7.698 0.294 1
1 123 . 5 1 1 A 18 18 LYS HA H 18 3.843 4.257 -0.414 1
1 132 . 5 1 1 A 18 18 LYS C C 18 173.383 175.775 -2.392 1
1 133 . 5 1 1 A 18 18 LYS CA C 18 58.362 55.778 2.584 1
1 134 . 5 1 1 A 18 18 LYS CB C 18 33.336 33.094 0.242 1
1 138 . 5 1 1 A 18 18 LYS N N 18 123.588 122.477 1.111 1
1 139 . 5 1 1 A 19 19 ALA H H 19 7.646 8.285 -0.639 1
1 140 . 5 1 1 A 19 19 ALA HA H 19 5.124 4.794 0.330 1
1 144 . 5 1 1 A 19 19 ALA C C 19 176.333 176.710 -0.377 1
1 145 . 5 1 1 A 19 19 ALA CA C 19 50.076 51.622 -1.546 1
1 146 . 5 1 1 A 19 19 ALA CB C 19 22.792 20.152 2.640 1
1 147 . 5 1 1 A 19 19 ALA N N 19 124.673 128.763 -4.090 1
1 148 . 5 1 1 A 20 20 PHE H H 20 8.857 9.094 -0.237 1
1 149 . 5 1 1 A 20 20 PHE HA H 20 4.653 4.827 -0.174 1
1 157 . 5 1 1 A 20 20 PHE C C 20 175.110 175.611 -0.501 1
1 158 . 5 1 1 A 20 20 PHE CA C 20 57.317 56.817 0.500 1
1 159 . 5 1 1 A 20 20 PHE CB C 20 43.327 42.881 0.446 1
1 165 . 5 1 1 A 20 20 PHE N N 20 117.387 117.425 -0.038 1
1 166 . 5 1 1 A 21 21 THR H H 21 8.729 8.590 0.139 1
1 167 . 5 1 1 A 21 21 THR HA H 21 4.005 4.223 -0.218 1
1 172 . 5 1 1 A 21 21 THR C C 21 173.500 175.114 -1.614 1
1 173 . 5 1 1 A 21 21 THR CA C 21 66.328 65.037 1.291 1
1 174 . 5 1 1 A 21 21 THR CB C 21 69.605 68.501 1.104 1
1 176 . 5 1 1 A 21 21 THR N N 21 118.703 116.412 2.291 1
1 177 . 5 1 1 A 22 22 PHE H H 22 7.767 7.872 -0.105 1
1 178 . 5 1 1 A 22 22 PHE HA H 22 5.093 4.867 0.226 1
1 186 . 5 1 1 A 22 22 PHE C C 22 176.290 175.442 0.848 1
1 187 . 5 1 1 A 22 22 PHE CA C 22 55.753 57.257 -1.504 1
1 188 . 5 1 1 A 22 22 PHE CB C 22 42.016 41.299 0.717 1
1 194 . 5 1 1 A 22 22 PHE N N 22 114.810 117.744 -2.934 1
1 195 . 5 1 1 A 23 23 LYS H H 23 8.496 8.488 0.008 1
1 196 . 5 1 1 A 23 23 LYS HA H 23 2.922 3.141 -0.219 1
1 205 . 5 1 1 A 23 23 LYS C C 23 178.191 178.180 0.011 1
1 206 . 5 1 1 A 23 23 LYS CA C 23 59.444 59.560 -0.116 1
1 207 . 5 1 1 A 23 23 LYS CB C 23 31.569 31.944 -0.375 1
1 211 . 5 1 1 A 23 23 LYS N N 23 127.716 123.245 4.471 1
1 212 . 5 1 1 A 24 24 SER H H 24 8.519 8.114 0.405 1
1 213 . 5 1 1 A 24 24 SER HA H 24 3.838 4.031 -0.193 1
1 216 . 5 1 1 A 24 24 SER C C 24 176.778 176.698 0.080 1
1 217 . 5 1 1 A 24 24 SER CA C 24 60.910 61.886 -0.976 1
1 218 . 5 1 1 A 24 24 SER CB C 24 61.337 62.821 -1.484 1
1 219 . 5 1 1 A 24 24 SER N N 24 111.904 116.599 -4.695 1
1 220 . 5 1 1 A 25 25 GLN H H 25 6.829 8.177 -1.348 1
1 221 . 5 1 1 A 25 25 GLN HA H 25 3.894 4.030 -0.136 1
1 228 . 5 1 1 A 25 25 GLN C C 25 178.758 178.280 0.478 1
1 229 . 5 1 1 A 25 25 GLN CA C 25 57.499 58.900 -1.401 1
1 230 . 5 1 1 A 25 25 GLN CB C 25 28.839 28.248 0.591 1
1 232 . 5 1 1 A 25 25 GLN N N 25 119.416 121.372 -1.956 1
1 234 . 5 1 1 A 26 26 LEU H H 26 6.900 7.645 -0.745 1
1 235 . 5 1 1 A 26 26 LEU HA H 26 3.218 3.018 0.200 1
1 245 . 5 1 1 A 26 26 LEU C C 26 177.322 178.318 -0.996 1
1 246 . 5 1 1 A 26 26 LEU CA C 26 57.675 57.545 0.130 1
1 247 . 5 1 1 A 26 26 LEU CB C 26 40.250 41.510 -1.260 1
1 251 . 5 1 1 A 26 26 LEU N N 26 122.040 120.466 1.574 1
1 252 . 5 1 1 A 27 27 ILE H H 27 7.967 7.945 0.022 1
1 253 . 5 1 1 A 27 27 ILE HA H 27 3.683 3.623 0.060 1
1 263 . 5 1 1 A 27 27 ILE C C 27 179.261 178.519 0.742 1
1 264 . 5 1 1 A 27 27 ILE CA C 27 64.506 65.376 -0.870 1
1 265 . 5 1 1 A 27 27 ILE CB C 27 37.362 37.777 -0.415 1
1 269 . 5 1 1 A 27 27 ILE N N 27 118.724 120.081 -1.357 1
1 270 . 5 1 1 A 28 28 VAL H H 28 7.247 8.055 -0.808 1
1 271 . 5 1 1 A 28 28 VAL HA H 28 3.569 3.507 0.062 1
1 279 . 5 1 1 A 28 28 VAL C C 28 179.175 178.343 0.832 1
1 280 . 5 1 1 A 28 28 VAL CA C 28 66.301 66.320 -0.019 1
1 281 . 5 1 1 A 28 28 VAL CB C 28 32.097 31.512 0.585 1
1 284 . 5 1 1 A 28 28 VAL N N 28 118.810 120.299 -1.489 1
1 285 . 5 1 1 A 29 29 HIS H H 29 7.552 7.874 -0.322 1
1 286 . 5 1 1 A 29 29 HIS HA H 29 4.109 4.060 0.049 1
1 291 . 5 1 1 A 29 29 HIS C C 29 175.916 176.555 -0.639 1
1 292 . 5 1 1 A 29 29 HIS CA C 29 59.370 59.801 -0.431 1
1 293 . 5 1 1 A 29 29 HIS CB C 29 28.596 29.738 -1.142 1
1 296 . 5 1 1 A 29 29 HIS N N 29 120.366 119.671 0.695 1
1 297 . 5 1 1 A 30 30 GLN H H 30 8.437 8.612 -0.175 1
1 298 . 5 1 1 A 30 30 GLN HA H 30 3.714 3.814 -0.100 1
1 305 . 5 1 1 A 30 30 GLN C C 30 177.902 179.257 -1.355 1
1 306 . 5 1 1 A 30 30 GLN CA C 30 59.344 58.633 0.711 1
1 307 . 5 1 1 A 30 30 GLN CB C 30 28.168 28.187 -0.019 1
1 309 . 5 1 1 A 30 30 GLN N N 30 115.477 116.879 -1.402 1
1 311 . 5 1 1 A 31 31 GLY H H 31 7.466 8.408 -0.942 1
1 312 . 5 1 1 A 31 31 GLY HA2 H 31 3.969 3.661 0.308 1
1 313 . 5 1 1 A 31 31 GLY HA3 H 31 3.850 3.676 0.174 1
1 314 . 5 1 1 A 31 31 GLY C C 31 175.915 175.925 -0.010 1
1 315 . 5 1 1 A 31 31 GLY CA C 31 46.630 47.233 -0.603 1
1 316 . 5 1 1 A 31 31 GLY N N 31 105.808 109.095 -3.287 1
1 317 . 5 1 1 A 32 32 ILE H H 32 7.806 8.073 -0.267 1
1 318 . 5 1 1 A 32 32 ILE HA H 32 4.000 3.752 0.248 1
1 328 . 5 1 1 A 32 32 ILE C C 32 177.427 177.592 -0.165 1
1 329 . 5 1 1 A 32 32 ILE CA C 32 62.775 64.399 -1.624 1
1 330 . 5 1 1 A 32 32 ILE CB C 32 37.641 37.379 0.262 1
1 334 . 5 1 1 A 32 32 ILE N N 32 117.910 120.318 -2.408 1
1 335 . 5 1 1 A 33 33 HIS H H 33 7.263 7.456 -0.193 1
1 336 . 5 1 1 A 33 33 HIS HA H 33 4.807 4.350 0.457 1
1 341 . 5 1 1 A 33 33 HIS C C 33 175.667 176.400 -0.733 1
1 342 . 5 1 1 A 33 33 HIS CA C 33 55.199 59.099 -3.900 1
1 343 . 5 1 1 A 33 33 HIS CB C 33 28.669 30.245 -1.576 1
1 346 . 5 1 1 A 33 33 HIS N N 33 118.200 119.571 -1.371 1
1 347 . 5 1 1 A 34 34 THR H H 34 7.742 7.420 0.322 1
1 348 . 5 1 1 A 34 34 THR HA H 34 4.299 4.132 0.167 1
1 353 . 5 1 1 A 34 34 THR C C 34 175.347 173.942 1.405 1
1 354 . 5 1 1 A 34 34 THR CA C 34 62.279 62.998 -0.719 1
1 355 . 5 1 1 A 34 34 THR CB C 34 69.771 69.039 0.732 1
1 357 . 5 1 1 A 34 34 THR N N 34 111.663 111.452 0.211 1
1 358 . 5 1 1 A 35 35 GLY H H 35 8.208 8.394 -0.186 1
1 359 . 5 1 1 A 35 35 GLY HA2 H 35 3.956 4.094 -0.138 1
1 360 . 5 1 1 A 35 35 GLY HA3 H 35 3.956 4.099 -0.143 1
1 361 . 5 1 1 A 35 35 GLY C C 35 174.200 172.819 1.381 1
1 362 . 5 1 1 A 35 35 GLY CA C 35 45.464 44.266 1.198 1
1 363 . 5 1 1 A 35 35 GLY N N 35 110.990 113.729 -2.739 1
1 364 . 5 1 1 A 36 36 VAL H H 36 7.948 8.274 -0.326 1
1 365 . 5 1 1 A 36 36 VAL HA H 36 4.124 3.929 0.195 1
1 373 . 5 1 1 A 36 36 VAL C C 36 176.269 176.349 -0.080 1
1 374 . 5 1 1 A 36 36 VAL CA C 36 62.268 62.870 -0.602 1
1 375 . 5 1 1 A 36 36 VAL CB C 36 32.701 31.890 0.811 1
1 378 . 5 1 1 A 36 36 VAL N N 36 119.178 123.486 -4.308 1
1 379 . 5 1 1 A 37 37 SER H H 37 8.363 8.427 -0.064 1
1 380 . 5 1 1 A 37 37 SER HA H 37 4.451 4.326 0.125 1
1 383 . 5 1 1 A 37 37 SER C C 37 174.469 174.419 0.050 1
1 384 . 5 1 1 A 37 37 SER CA C 37 58.264 59.877 -1.613 1
1 385 . 5 1 1 A 37 37 SER CB C 37 64.029 63.758 0.271 1
1 386 . 5 1 1 A 37 37 SER N N 37 119.506 122.511 -3.005 1
1 387 . 5 1 1 A 38 38 GLY H H 38 8.206 8.320 -0.114 1
1 388 . 5 1 1 A 38 38 GLY HA2 H 38 4.113 4.061 0.052 1
1 389 . 5 1 1 A 38 38 GLY HA3 H 38 4.011 4.066 -0.055 1
1 390 . 5 1 1 A 38 38 GLY C C 38 171.689 173.626 -1.937 1
1 391 . 5 1 1 A 38 38 GLY CA C 38 44.602 45.497 -0.895 1
1 392 . 5 1 1 A 38 38 GLY N N 38 110.830 112.754 -1.924 1
1 393 . 5 1 1 A 39 39 PRO HA H 39 4.416 4.572 -0.156 1
1 400 . 5 1 1 A 39 39 PRO C C 39 177.347 176.592 0.755 1
1 401 . 5 1 1 A 39 39 PRO CA C 39 63.184 62.767 0.417 1
1 402 . 5 1 1 A 39 39 PRO CB C 39 32.171 32.139 0.032 1
1 405 . 5 1 1 A 40 40 SER H H 40 8.503 8.325 0.178 1
1 406 . 5 1 1 A 40 40 SER HA H 40 4.455 4.789 -0.334 1
1 409 . 5 1 1 A 40 40 SER C C 40 174.649 174.516 0.133 1
1 410 . 5 1 1 A 40 40 SER CA C 40 58.366 57.768 0.598 1
1 411 . 5 1 1 A 40 40 SER CB C 40 63.806 62.649 1.157 1
1 412 . 5 1 1 A 40 40 SER N N 40 116.420 116.593 -0.173 1
1 413 . 5 1 1 A 41 41 SER H H 41 8.301 8.882 -0.581 1
1 414 . 5 1 1 A 41 41 SER HA H 41 4.452 4.190 0.262 1
1 417 . 5 1 1 A 41 41 SER C C 41 173.899 174.491 -0.592 1
1 418 . 5 1 1 A 41 41 SER CA C 41 58.385 59.482 -1.097 1
1 419 . 5 1 1 A 41 41 SER CB C 41 64.120 61.851 2.269 1
1 420 . 5 1 1 A 41 41 SER N N 41 117.874 115.780 2.094 1
1 1 . 6 1 1 A 6 6 SER HA H 6 4.423 4.853 -0.430 1
1 4 . 6 1 1 A 6 6 SER C C 6 174.984 172.866 2.118 1
1 5 . 6 1 1 A 6 6 SER CA C 6 58.619 57.458 1.161 1
1 6 . 6 1 1 A 6 6 SER CB C 6 63.809 63.799 0.010 1
1 7 . 6 1 1 A 7 7 GLY H H 7 8.330 7.802 0.528 1
1 8 . 6 1 1 A 7 7 GLY HA2 H 7 3.853 4.193 -0.340 1
1 9 . 6 1 1 A 7 7 GLY HA3 H 7 3.853 4.206 -0.353 1
1 10 . 6 1 1 A 7 7 GLY C C 7 173.978 172.005 1.973 1
1 11 . 6 1 1 A 7 7 GLY CA C 7 45.124 45.005 0.119 1
1 12 . 6 1 1 A 7 7 GLY N N 7 110.444 109.091 1.353 1
1 13 . 6 1 1 A 8 8 GLU H H 8 8.136 9.068 -0.932 1
1 14 . 6 1 1 A 8 8 GLU HA H 8 4.084 4.766 -0.682 1
1 19 . 6 1 1 A 8 8 GLU C C 8 176.363 175.421 0.942 1
1 20 . 6 1 1 A 8 8 GLU CA C 8 56.807 55.544 1.263 1
1 21 . 6 1 1 A 8 8 GLU CB C 8 30.323 30.565 -0.242 1
1 23 . 6 1 1 A 8 8 GLU N N 8 120.206 125.667 -5.461 1
1 24 . 6 1 1 A 9 9 LYS H H 9 8.190 8.159 0.031 1
1 25 . 6 1 1 A 9 9 LYS HA H 9 4.401 4.803 -0.402 1
1 34 . 6 1 1 A 9 9 LYS C C 9 173.724 176.036 -2.312 1
1 35 . 6 1 1 A 9 9 LYS CA C 9 53.773 53.013 0.760 1
1 36 . 6 1 1 A 9 9 LYS CB C 9 33.324 34.480 -1.156 1
1 40 . 6 1 1 A 9 9 LYS N N 9 121.893 125.791 -3.898 1
1 41 . 6 1 1 A 10 10 PRO HA H 10 4.176 4.329 -0.153 1
1 48 . 6 1 1 A 10 10 PRO C C 10 176.542 176.015 0.527 1
1 49 . 6 1 1 A 10 10 PRO CA C 10 63.392 64.898 -1.506 1
1 50 . 6 1 1 A 10 10 PRO CB C 10 32.297 31.630 0.667 1
1 53 . 6 1 1 A 11 11 TYR H H 11 7.766 7.652 0.114 1
1 54 . 6 1 1 A 11 11 TYR HA H 11 4.523 4.736 -0.213 1
1 61 . 6 1 1 A 11 11 TYR C C 11 174.276 176.508 -2.232 1
1 62 . 6 1 1 A 11 11 TYR CA C 11 58.052 58.538 -0.486 1
1 63 . 6 1 1 A 11 11 TYR CB C 11 38.185 39.663 -1.478 1
1 68 . 6 1 1 A 11 11 TYR N N 11 118.946 118.215 0.731 1
1 69 . 6 1 1 A 12 12 VAL H H 12 8.434 8.791 -0.357 1
1 70 . 6 1 1 A 12 12 VAL HA H 12 4.510 5.022 -0.512 1
1 78 . 6 1 1 A 12 12 VAL C C 12 175.589 175.072 0.517 1
1 79 . 6 1 1 A 12 12 VAL CA C 12 61.266 61.146 0.120 1
1 80 . 6 1 1 A 12 12 VAL CB C 12 34.474 35.238 -0.764 1
1 83 . 6 1 1 A 12 12 VAL N N 12 125.129 122.749 2.380 1
1 84 . 6 1 1 A 13 13 CYS H H 13 9.288 9.275 0.013 1
1 85 . 6 1 1 A 13 13 CYS HA H 13 4.486 4.564 -0.078 1
1 88 . 6 1 1 A 13 13 CYS C C 13 177.453 176.010 1.443 1
1 89 . 6 1 1 A 13 13 CYS CA C 13 59.913 60.033 -0.120 1
1 90 . 6 1 1 A 13 13 CYS CB C 13 29.670 28.969 0.701 1
1 91 . 6 1 1 A 13 13 CYS N N 13 129.949 127.236 2.713 1
1 92 . 6 1 1 A 14 14 SER H H 14 9.359 8.733 0.626 1
1 93 . 6 1 1 A 14 14 SER HA H 14 4.194 4.406 -0.212 1
1 96 . 6 1 1 A 14 14 SER C C 14 174.334 176.311 -1.977 1
1 97 . 6 1 1 A 14 14 SER CA C 14 61.015 59.529 1.486 1
1 98 . 6 1 1 A 14 14 SER CB C 14 63.031 64.216 -1.185 1
1 99 . 6 1 1 A 14 14 SER N N 14 128.692 119.515 9.177 1
1 100 . 6 1 1 A 15 15 ASP H H 15 8.616 7.837 0.779 1
1 101 . 6 1 1 A 15 15 ASP HA H 15 4.495 4.221 0.274 1
1 104 . 6 1 1 A 15 15 ASP C C 15 176.945 177.732 -0.787 1
1 105 . 6 1 1 A 15 15 ASP CA C 15 56.927 57.164 -0.237 1
1 106 . 6 1 1 A 15 15 ASP CB C 15 41.300 40.007 1.293 1
1 107 . 6 1 1 A 15 15 ASP N N 15 122.842 121.783 1.059 1
1 108 . 6 1 1 A 16 16 CYS H H 16 7.880 7.171 0.709 1
1 109 . 6 1 1 A 16 16 CYS HA H 16 5.095 4.526 0.569 1
1 112 . 6 1 1 A 16 16 CYS C C 16 176.300 175.156 1.144 1
1 113 . 6 1 1 A 16 16 CYS CA C 16 58.641 59.684 -1.043 1
1 114 . 6 1 1 A 16 16 CYS CB C 16 32.470 29.439 3.031 1
1 115 . 6 1 1 A 16 16 CYS N N 16 114.753 113.652 1.101 1
1 116 . 6 1 1 A 17 17 GLY H H 17 8.180 8.064 0.116 1
1 117 . 6 1 1 A 17 17 GLY HA2 H 17 3.657 4.058 -0.401 1
1 118 . 6 1 1 A 17 17 GLY HA3 H 17 4.150 4.077 0.073 1
1 119 . 6 1 1 A 17 17 GLY C C 17 173.556 174.716 -1.160 1
1 120 . 6 1 1 A 17 17 GLY CA C 17 46.062 45.107 0.955 1
1 121 . 6 1 1 A 17 17 GLY N N 17 113.552 110.311 3.241 1
1 122 . 6 1 1 A 18 18 LYS H H 18 7.992 7.565 0.427 1
1 123 . 6 1 1 A 18 18 LYS HA H 18 3.843 4.228 -0.385 1
1 132 . 6 1 1 A 18 18 LYS C C 18 173.383 175.248 -1.865 1
1 133 . 6 1 1 A 18 18 LYS CA C 18 58.362 56.097 2.265 1
1 134 . 6 1 1 A 18 18 LYS CB C 18 33.336 33.650 -0.314 1
1 138 . 6 1 1 A 18 18 LYS N N 18 123.588 122.325 1.263 1
1 139 . 6 1 1 A 19 19 ALA H H 19 7.646 7.939 -0.293 1
1 140 . 6 1 1 A 19 19 ALA HA H 19 5.124 5.521 -0.397 1
1 144 . 6 1 1 A 19 19 ALA C C 19 176.333 175.132 1.201 1
1 145 . 6 1 1 A 19 19 ALA CA C 19 50.076 49.967 0.109 1
1 146 . 6 1 1 A 19 19 ALA CB C 19 22.792 22.745 0.047 1
1 147 . 6 1 1 A 19 19 ALA N N 19 124.673 125.114 -0.441 1
1 148 . 6 1 1 A 20 20 PHE H H 20 8.857 9.131 -0.274 1
1 149 . 6 1 1 A 20 20 PHE HA H 20 4.653 4.890 -0.237 1
1 157 . 6 1 1 A 20 20 PHE C C 20 175.110 175.672 -0.562 1
1 158 . 6 1 1 A 20 20 PHE CA C 20 57.317 56.684 0.633 1
1 159 . 6 1 1 A 20 20 PHE CB C 20 43.327 43.046 0.281 1
1 165 . 6 1 1 A 20 20 PHE N N 20 117.387 117.267 0.120 1
1 166 . 6 1 1 A 21 21 THR H H 21 8.729 8.691 0.038 1
1 167 . 6 1 1 A 21 21 THR HA H 21 4.005 4.285 -0.280 1
1 172 . 6 1 1 A 21 21 THR C C 21 173.500 175.064 -1.564 1
1 173 . 6 1 1 A 21 21 THR CA C 21 66.328 65.255 1.073 1
1 174 . 6 1 1 A 21 21 THR CB C 21 69.605 68.793 0.812 1
1 176 . 6 1 1 A 21 21 THR N N 21 118.703 116.502 2.201 1
1 177 . 6 1 1 A 22 22 PHE H H 22 7.767 8.070 -0.303 1
1 178 . 6 1 1 A 22 22 PHE HA H 22 5.093 4.801 0.292 1
1 186 . 6 1 1 A 22 22 PHE C C 22 176.290 175.595 0.695 1
1 187 . 6 1 1 A 22 22 PHE CA C 22 55.753 57.138 -1.385 1
1 188 . 6 1 1 A 22 22 PHE CB C 22 42.016 40.909 1.107 1
1 194 . 6 1 1 A 22 22 PHE N N 22 114.810 117.889 -3.079 1
1 195 . 6 1 1 A 23 23 LYS H H 23 8.496 8.506 -0.010 1
1 196 . 6 1 1 A 23 23 LYS HA H 23 2.922 3.095 -0.173 1
1 205 . 6 1 1 A 23 23 LYS C C 23 178.191 177.630 0.561 1
1 206 . 6 1 1 A 23 23 LYS CA C 23 59.444 59.791 -0.347 1
1 207 . 6 1 1 A 23 23 LYS CB C 23 31.569 31.805 -0.236 1
1 211 . 6 1 1 A 23 23 LYS N N 23 127.716 123.739 3.977 1
1 212 . 6 1 1 A 24 24 SER H H 24 8.519 7.925 0.594 1
1 213 . 6 1 1 A 24 24 SER HA H 24 3.838 3.985 -0.147 1
1 216 . 6 1 1 A 24 24 SER C C 24 176.778 177.060 -0.282 1
1 217 . 6 1 1 A 24 24 SER CA C 24 60.910 61.560 -0.650 1
1 218 . 6 1 1 A 24 24 SER CB C 24 61.337 62.901 -1.564 1
1 219 . 6 1 1 A 24 24 SER N N 24 111.904 114.096 -2.192 1
1 220 . 6 1 1 A 25 25 GLN H H 25 6.829 8.114 -1.285 1
1 221 . 6 1 1 A 25 25 GLN HA H 25 3.894 3.899 -0.005 1
1 228 . 6 1 1 A 25 25 GLN C C 25 178.758 178.174 0.584 1
1 229 . 6 1 1 A 25 25 GLN CA C 25 57.499 58.950 -1.451 1
1 230 . 6 1 1 A 25 25 GLN CB C 25 28.839 28.165 0.674 1
1 232 . 6 1 1 A 25 25 GLN N N 25 119.416 121.357 -1.941 1
1 234 . 6 1 1 A 26 26 LEU H H 26 6.900 7.448 -0.548 1
1 235 . 6 1 1 A 26 26 LEU HA H 26 3.218 2.987 0.231 1
1 245 . 6 1 1 A 26 26 LEU C C 26 177.322 178.667 -1.345 1
1 246 . 6 1 1 A 26 26 LEU CA C 26 57.675 57.752 -0.077 1
1 247 . 6 1 1 A 26 26 LEU CB C 26 40.250 41.629 -1.379 1
1 251 . 6 1 1 A 26 26 LEU N N 26 122.040 121.011 1.029 1
1 252 . 6 1 1 A 27 27 ILE H H 27 7.967 8.095 -0.128 1
1 253 . 6 1 1 A 27 27 ILE HA H 27 3.683 3.596 0.087 1
1 263 . 6 1 1 A 27 27 ILE C C 27 179.261 178.523 0.738 1
1 264 . 6 1 1 A 27 27 ILE CA C 27 64.506 65.366 -0.860 1
1 265 . 6 1 1 A 27 27 ILE CB C 27 37.362 37.655 -0.293 1
1 269 . 6 1 1 A 27 27 ILE N N 27 118.724 119.970 -1.246 1
1 270 . 6 1 1 A 28 28 VAL H H 28 7.247 7.963 -0.716 1
1 271 . 6 1 1 A 28 28 VAL HA H 28 3.569 3.489 0.080 1
1 279 . 6 1 1 A 28 28 VAL C C 28 179.175 178.346 0.829 1
1 280 . 6 1 1 A 28 28 VAL CA C 28 66.301 66.395 -0.094 1
1 281 . 6 1 1 A 28 28 VAL CB C 28 32.097 31.540 0.557 1
1 284 . 6 1 1 A 28 28 VAL N N 28 118.810 120.372 -1.562 1
1 285 . 6 1 1 A 29 29 HIS H H 29 7.552 8.003 -0.451 1
1 286 . 6 1 1 A 29 29 HIS HA H 29 4.109 4.028 0.081 1
1 291 . 6 1 1 A 29 29 HIS C C 29 175.916 176.699 -0.783 1
1 292 . 6 1 1 A 29 29 HIS CA C 29 59.370 59.716 -0.346 1
1 293 . 6 1 1 A 29 29 HIS CB C 29 28.596 29.568 -0.972 1
1 296 . 6 1 1 A 29 29 HIS N N 29 120.366 119.543 0.823 1
1 297 . 6 1 1 A 30 30 GLN H H 30 8.437 8.729 -0.292 1
1 298 . 6 1 1 A 30 30 GLN HA H 30 3.714 3.961 -0.247 1
1 305 . 6 1 1 A 30 30 GLN C C 30 177.902 179.383 -1.481 1
1 306 . 6 1 1 A 30 30 GLN CA C 30 59.344 58.627 0.717 1
1 307 . 6 1 1 A 30 30 GLN CB C 30 28.168 28.200 -0.032 1
1 309 . 6 1 1 A 30 30 GLN N N 30 115.477 116.927 -1.450 1
1 311 . 6 1 1 A 31 31 GLY H H 31 7.466 7.944 -0.478 1
1 312 . 6 1 1 A 31 31 GLY HA2 H 31 3.969 3.624 0.345 1
1 313 . 6 1 1 A 31 31 GLY HA3 H 31 3.850 3.648 0.202 1
1 314 . 6 1 1 A 31 31 GLY C C 31 175.915 175.890 0.025 1
1 315 . 6 1 1 A 31 31 GLY CA C 31 46.630 47.286 -0.656 1
1 316 . 6 1 1 A 31 31 GLY N N 31 105.808 108.803 -2.995 1
1 317 . 6 1 1 A 32 32 ILE H H 32 7.806 8.016 -0.210 1
1 318 . 6 1 1 A 32 32 ILE HA H 32 4.000 3.724 0.276 1
1 328 . 6 1 1 A 32 32 ILE C C 32 177.427 177.509 -0.082 1
1 329 . 6 1 1 A 32 32 ILE CA C 32 62.775 64.311 -1.536 1
1 330 . 6 1 1 A 32 32 ILE CB C 32 37.641 37.294 0.347 1
1 334 . 6 1 1 A 32 32 ILE N N 32 117.910 120.254 -2.344 1
1 335 . 6 1 1 A 33 33 HIS H H 33 7.263 7.054 0.209 1
1 336 . 6 1 1 A 33 33 HIS HA H 33 4.807 4.425 0.382 1
1 341 . 6 1 1 A 33 33 HIS C C 33 175.667 175.453 0.214 1
1 342 . 6 1 1 A 33 33 HIS CA C 33 55.199 58.807 -3.608 1
1 343 . 6 1 1 A 33 33 HIS CB C 33 28.669 30.950 -2.281 1
1 346 . 6 1 1 A 33 33 HIS N N 33 118.200 119.533 -1.333 1
1 347 . 6 1 1 A 34 34 THR H H 34 7.742 7.501 0.241 1
1 348 . 6 1 1 A 34 34 THR HA H 34 4.299 4.307 -0.008 1
1 353 . 6 1 1 A 34 34 THR C C 34 175.347 174.191 1.156 1
1 354 . 6 1 1 A 34 34 THR CA C 34 62.279 62.475 -0.196 1
1 355 . 6 1 1 A 34 34 THR CB C 34 69.771 69.021 0.750 1
1 357 . 6 1 1 A 34 34 THR N N 34 111.663 107.011 4.652 1
1 358 . 6 1 1 A 35 35 GLY H H 35 8.208 8.488 -0.280 1
1 359 . 6 1 1 A 35 35 GLY HA2 H 35 3.956 4.149 -0.193 1
1 360 . 6 1 1 A 35 35 GLY HA3 H 35 3.956 4.156 -0.200 1
1 361 . 6 1 1 A 35 35 GLY C C 35 174.200 172.823 1.377 1
1 362 . 6 1 1 A 35 35 GLY CA C 35 45.464 45.153 0.311 1
1 363 . 6 1 1 A 35 35 GLY N N 35 110.990 110.043 0.947 1
1 364 . 6 1 1 A 36 36 VAL H H 36 7.948 8.685 -0.737 1
1 365 . 6 1 1 A 36 36 VAL HA H 36 4.124 4.244 -0.120 1
1 373 . 6 1 1 A 36 36 VAL C C 36 176.269 175.684 0.585 1
1 374 . 6 1 1 A 36 36 VAL CA C 36 62.268 63.285 -1.017 1
1 375 . 6 1 1 A 36 36 VAL CB C 36 32.701 30.897 1.804 1
1 378 . 6 1 1 A 36 36 VAL N N 36 119.178 125.287 -6.109 1
1 379 . 6 1 1 A 37 37 SER H H 37 8.363 8.717 -0.354 1
1 380 . 6 1 1 A 37 37 SER HA H 37 4.451 5.063 -0.612 1
1 383 . 6 1 1 A 37 37 SER C C 37 174.469 174.020 0.449 1
1 384 . 6 1 1 A 37 37 SER CA C 37 58.264 56.883 1.381 1
1 385 . 6 1 1 A 37 37 SER CB C 37 64.029 66.926 -2.897 1
1 386 . 6 1 1 A 37 37 SER N N 37 119.506 122.247 -2.741 1
1 387 . 6 1 1 A 38 38 GLY H H 38 8.206 8.448 -0.242 1
1 388 . 6 1 1 A 38 38 GLY HA2 H 38 4.113 4.131 -0.018 1
1 389 . 6 1 1 A 38 38 GLY HA3 H 38 4.011 4.132 -0.121 1
1 390 . 6 1 1 A 38 38 GLY C C 38 171.689 173.375 -1.686 1
1 391 . 6 1 1 A 38 38 GLY CA C 38 44.602 44.785 -0.183 1
1 392 . 6 1 1 A 38 38 GLY N N 38 110.830 114.700 -3.870 1
1 393 . 6 1 1 A 39 39 PRO HA H 39 4.416 4.773 -0.357 1
1 400 . 6 1 1 A 39 39 PRO C C 39 177.347 175.790 1.557 1
1 401 . 6 1 1 A 39 39 PRO CA C 39 63.184 62.612 0.572 1
1 402 . 6 1 1 A 39 39 PRO CB C 39 32.171 31.410 0.761 1
1 405 . 6 1 1 A 40 40 SER H H 40 8.503 8.568 -0.065 1
1 406 . 6 1 1 A 40 40 SER HA H 40 4.455 4.839 -0.384 1
1 409 . 6 1 1 A 40 40 SER C C 40 174.649 175.175 -0.526 1
1 410 . 6 1 1 A 40 40 SER CA C 40 58.366 56.346 2.020 1
1 411 . 6 1 1 A 40 40 SER CB C 40 63.806 65.493 -1.687 1
1 412 . 6 1 1 A 40 40 SER N N 40 116.420 118.843 -2.423 1
1 413 . 6 1 1 A 41 41 SER H H 41 8.301 8.434 -0.133 1
1 414 . 6 1 1 A 41 41 SER HA H 41 4.452 4.306 0.146 1
1 417 . 6 1 1 A 41 41 SER C C 41 173.899 176.187 -2.288 1
1 418 . 6 1 1 A 41 41 SER CA C 41 58.385 60.112 -1.727 1
1 419 . 6 1 1 A 41 41 SER CB C 41 64.120 63.990 0.130 1
1 420 . 6 1 1 A 41 41 SER N N 41 117.874 117.699 0.175 1
1 1 . 7 1 1 A 6 6 SER HA H 6 4.423 4.236 0.187 1
1 4 . 7 1 1 A 6 6 SER C C 6 174.984 174.130 0.854 1
1 5 . 7 1 1 A 6 6 SER CA C 6 58.619 58.614 0.005 1
1 6 . 7 1 1 A 6 6 SER CB C 6 63.809 63.283 0.526 1
1 7 . 7 1 1 A 7 7 GLY H H 7 8.330 8.442 -0.112 1
1 8 . 7 1 1 A 7 7 GLY HA2 H 7 3.853 4.282 -0.429 1
1 9 . 7 1 1 A 7 7 GLY HA3 H 7 3.853 4.296 -0.443 1
1 10 . 7 1 1 A 7 7 GLY C C 7 173.978 172.299 1.679 1
1 11 . 7 1 1 A 7 7 GLY CA C 7 45.124 43.901 1.223 1
1 12 . 7 1 1 A 7 7 GLY N N 7 110.444 114.420 -3.976 1
1 13 . 7 1 1 A 8 8 GLU H H 8 8.136 8.566 -0.430 1
1 14 . 7 1 1 A 8 8 GLU HA H 8 4.084 4.257 -0.173 1
1 19 . 7 1 1 A 8 8 GLU C C 8 176.363 175.320 1.043 1
1 20 . 7 1 1 A 8 8 GLU CA C 8 56.807 57.013 -0.206 1
1 21 . 7 1 1 A 8 8 GLU CB C 8 30.323 29.707 0.616 1
1 23 . 7 1 1 A 8 8 GLU N N 8 120.206 121.462 -1.256 1
1 24 . 7 1 1 A 9 9 LYS H H 9 8.190 7.856 0.334 1
1 25 . 7 1 1 A 9 9 LYS HA H 9 4.401 4.790 -0.389 1
1 34 . 7 1 1 A 9 9 LYS C C 9 173.724 175.937 -2.213 1
1 35 . 7 1 1 A 9 9 LYS CA C 9 53.773 53.010 0.763 1
1 36 . 7 1 1 A 9 9 LYS CB C 9 33.324 34.456 -1.132 1
1 40 . 7 1 1 A 9 9 LYS N N 9 121.893 126.379 -4.486 1
1 41 . 7 1 1 A 10 10 PRO HA H 10 4.176 4.318 -0.142 1
1 48 . 7 1 1 A 10 10 PRO C C 10 176.542 175.955 0.587 1
1 49 . 7 1 1 A 10 10 PRO CA C 10 63.392 64.991 -1.599 1
1 50 . 7 1 1 A 10 10 PRO CB C 10 32.297 31.657 0.640 1
1 53 . 7 1 1 A 11 11 TYR H H 11 7.766 7.322 0.444 1
1 54 . 7 1 1 A 11 11 TYR HA H 11 4.523 4.713 -0.190 1
1 61 . 7 1 1 A 11 11 TYR C C 11 174.276 176.373 -2.097 1
1 62 . 7 1 1 A 11 11 TYR CA C 11 58.052 58.517 -0.465 1
1 63 . 7 1 1 A 11 11 TYR CB C 11 38.185 40.008 -1.823 1
1 68 . 7 1 1 A 11 11 TYR N N 11 118.946 118.200 0.746 1
1 69 . 7 1 1 A 12 12 VAL H H 12 8.434 8.735 -0.301 1
1 70 . 7 1 1 A 12 12 VAL HA H 12 4.510 4.945 -0.435 1
1 78 . 7 1 1 A 12 12 VAL C C 12 175.589 175.095 0.494 1
1 79 . 7 1 1 A 12 12 VAL CA C 12 61.266 61.432 -0.166 1
1 80 . 7 1 1 A 12 12 VAL CB C 12 34.474 35.052 -0.578 1
1 83 . 7 1 1 A 12 12 VAL N N 12 125.129 122.022 3.107 1
1 84 . 7 1 1 A 13 13 CYS H H 13 9.288 8.821 0.467 1
1 85 . 7 1 1 A 13 13 CYS HA H 13 4.486 4.545 -0.059 1
1 88 . 7 1 1 A 13 13 CYS C C 13 177.453 175.918 1.535 1
1 89 . 7 1 1 A 13 13 CYS CA C 13 59.913 60.226 -0.313 1
1 90 . 7 1 1 A 13 13 CYS CB C 13 29.670 28.840 0.830 1
1 91 . 7 1 1 A 13 13 CYS N N 13 129.949 127.261 2.688 1
1 92 . 7 1 1 A 14 14 SER H H 14 9.359 8.735 0.624 1
1 93 . 7 1 1 A 14 14 SER HA H 14 4.194 4.430 -0.236 1
1 96 . 7 1 1 A 14 14 SER C C 14 174.334 176.333 -1.999 1
1 97 . 7 1 1 A 14 14 SER CA C 14 61.015 59.558 1.457 1
1 98 . 7 1 1 A 14 14 SER CB C 14 63.031 64.229 -1.198 1
1 99 . 7 1 1 A 14 14 SER N N 14 128.692 120.360 8.332 1
1 100 . 7 1 1 A 15 15 ASP H H 15 8.616 7.826 0.790 1
1 101 . 7 1 1 A 15 15 ASP HA H 15 4.495 4.240 0.255 1
1 104 . 7 1 1 A 15 15 ASP C C 15 176.945 177.846 -0.901 1
1 105 . 7 1 1 A 15 15 ASP CA C 15 56.927 57.225 -0.298 1
1 106 . 7 1 1 A 15 15 ASP CB C 15 41.300 40.096 1.204 1
1 107 . 7 1 1 A 15 15 ASP N N 15 122.842 121.715 1.127 1
1 108 . 7 1 1 A 16 16 CYS H H 16 7.880 7.509 0.371 1
1 109 . 7 1 1 A 16 16 CYS HA H 16 5.095 4.596 0.499 1
1 112 . 7 1 1 A 16 16 CYS C C 16 176.300 175.295 1.005 1
1 113 . 7 1 1 A 16 16 CYS CA C 16 58.641 59.678 -1.037 1
1 114 . 7 1 1 A 16 16 CYS CB C 16 32.470 29.547 2.923 1
1 115 . 7 1 1 A 16 16 CYS N N 16 114.753 113.846 0.907 1
1 116 . 7 1 1 A 17 17 GLY H H 17 8.180 8.196 -0.016 1
1 117 . 7 1 1 A 17 17 GLY HA2 H 17 3.657 4.056 -0.399 1
1 118 . 7 1 1 A 17 17 GLY HA3 H 17 4.150 4.075 0.075 1
1 119 . 7 1 1 A 17 17 GLY C C 17 173.556 174.768 -1.212 1
1 120 . 7 1 1 A 17 17 GLY CA C 17 46.062 45.139 0.923 1
1 121 . 7 1 1 A 17 17 GLY N N 17 113.552 110.348 3.204 1
1 122 . 7 1 1 A 18 18 LYS H H 18 7.992 7.531 0.461 1
1 123 . 7 1 1 A 18 18 LYS HA H 18 3.843 4.202 -0.359 1
1 132 . 7 1 1 A 18 18 LYS C C 18 173.383 175.293 -1.910 1
1 133 . 7 1 1 A 18 18 LYS CA C 18 58.362 56.198 2.164 1
1 134 . 7 1 1 A 18 18 LYS CB C 18 33.336 33.321 0.015 1
1 138 . 7 1 1 A 18 18 LYS N N 18 123.588 122.321 1.267 1
1 139 . 7 1 1 A 19 19 ALA H H 19 7.646 7.919 -0.273 1
1 140 . 7 1 1 A 19 19 ALA HA H 19 5.124 5.318 -0.194 1
1 144 . 7 1 1 A 19 19 ALA C C 19 176.333 174.781 1.552 1
1 145 . 7 1 1 A 19 19 ALA CA C 19 50.076 50.318 -0.242 1
1 146 . 7 1 1 A 19 19 ALA CB C 19 22.792 23.425 -0.633 1
1 147 . 7 1 1 A 19 19 ALA N N 19 124.673 124.324 0.349 1
1 148 . 7 1 1 A 20 20 PHE H H 20 8.857 8.932 -0.075 1
1 149 . 7 1 1 A 20 20 PHE HA H 20 4.653 4.823 -0.170 1
1 157 . 7 1 1 A 20 20 PHE C C 20 175.110 175.608 -0.498 1
1 158 . 7 1 1 A 20 20 PHE CA C 20 57.317 56.717 0.600 1
1 159 . 7 1 1 A 20 20 PHE CB C 20 43.327 43.234 0.093 1
1 165 . 7 1 1 A 20 20 PHE N N 20 117.387 116.767 0.620 1
1 166 . 7 1 1 A 21 21 THR H H 21 8.729 8.618 0.111 1
1 167 . 7 1 1 A 21 21 THR HA H 21 4.005 4.352 -0.347 1
1 172 . 7 1 1 A 21 21 THR C C 21 173.500 174.794 -1.294 1
1 173 . 7 1 1 A 21 21 THR CA C 21 66.328 64.064 2.264 1
1 174 . 7 1 1 A 21 21 THR CB C 21 69.605 69.005 0.600 1
1 176 . 7 1 1 A 21 21 THR N N 21 118.703 116.091 2.612 1
1 177 . 7 1 1 A 22 22 PHE H H 22 7.767 7.787 -0.020 1
1 178 . 7 1 1 A 22 22 PHE HA H 22 5.093 4.857 0.236 1
1 186 . 7 1 1 A 22 22 PHE C C 22 176.290 175.837 0.453 1
1 187 . 7 1 1 A 22 22 PHE CA C 22 55.753 57.543 -1.790 1
1 188 . 7 1 1 A 22 22 PHE CB C 22 42.016 40.723 1.293 1
1 194 . 7 1 1 A 22 22 PHE N N 22 114.810 118.247 -3.437 1
1 195 . 7 1 1 A 23 23 LYS H H 23 8.496 8.677 -0.181 1
1 196 . 7 1 1 A 23 23 LYS HA H 23 2.922 2.604 0.318 1
1 205 . 7 1 1 A 23 23 LYS C C 23 178.191 178.075 0.116 1
1 206 . 7 1 1 A 23 23 LYS CA C 23 59.444 59.548 -0.104 1
1 207 . 7 1 1 A 23 23 LYS CB C 23 31.569 32.185 -0.616 1
1 211 . 7 1 1 A 23 23 LYS N N 23 127.716 123.945 3.771 1
1 212 . 7 1 1 A 24 24 SER H H 24 8.519 8.120 0.399 1
1 213 . 7 1 1 A 24 24 SER HA H 24 3.838 3.986 -0.148 1
1 216 . 7 1 1 A 24 24 SER C C 24 176.778 176.498 0.280 1
1 217 . 7 1 1 A 24 24 SER CA C 24 60.910 61.793 -0.883 1
1 218 . 7 1 1 A 24 24 SER CB C 24 61.337 62.756 -1.419 1
1 219 . 7 1 1 A 24 24 SER N N 24 111.904 116.530 -4.626 1
1 220 . 7 1 1 A 25 25 GLN H H 25 6.829 8.074 -1.245 1
1 221 . 7 1 1 A 25 25 GLN HA H 25 3.894 3.864 0.030 1
1 228 . 7 1 1 A 25 25 GLN C C 25 178.758 178.002 0.756 1
1 229 . 7 1 1 A 25 25 GLN CA C 25 57.499 58.933 -1.434 1
1 230 . 7 1 1 A 25 25 GLN CB C 25 28.839 28.107 0.732 1
1 232 . 7 1 1 A 25 25 GLN N N 25 119.416 120.944 -1.528 1
1 234 . 7 1 1 A 26 26 LEU H H 26 6.900 7.405 -0.505 1
1 235 . 7 1 1 A 26 26 LEU HA H 26 3.218 3.048 0.170 1
1 245 . 7 1 1 A 26 26 LEU C C 26 177.322 178.689 -1.367 1
1 246 . 7 1 1 A 26 26 LEU CA C 26 57.675 57.742 -0.067 1
1 247 . 7 1 1 A 26 26 LEU CB C 26 40.250 41.715 -1.465 1
1 251 . 7 1 1 A 26 26 LEU N N 26 122.040 120.652 1.388 1
1 252 . 7 1 1 A 27 27 ILE H H 27 7.967 7.817 0.150 1
1 253 . 7 1 1 A 27 27 ILE HA H 27 3.683 3.564 0.119 1
1 263 . 7 1 1 A 27 27 ILE C C 27 179.261 178.522 0.739 1
1 264 . 7 1 1 A 27 27 ILE CA C 27 64.506 65.289 -0.783 1
1 265 . 7 1 1 A 27 27 ILE CB C 27 37.362 37.834 -0.472 1
1 269 . 7 1 1 A 27 27 ILE N N 27 118.724 120.134 -1.410 1
1 270 . 7 1 1 A 28 28 VAL H H 28 7.247 8.064 -0.817 1
1 271 . 7 1 1 A 28 28 VAL HA H 28 3.569 3.479 0.090 1
1 279 . 7 1 1 A 28 28 VAL C C 28 179.175 178.362 0.813 1
1 280 . 7 1 1 A 28 28 VAL CA C 28 66.301 66.373 -0.072 1
1 281 . 7 1 1 A 28 28 VAL CB C 28 32.097 31.534 0.563 1
1 284 . 7 1 1 A 28 28 VAL N N 28 118.810 119.910 -1.100 1
1 285 . 7 1 1 A 29 29 HIS H H 29 7.552 7.838 -0.286 1
1 286 . 7 1 1 A 29 29 HIS HA H 29 4.109 3.970 0.139 1
1 291 . 7 1 1 A 29 29 HIS C C 29 175.916 176.667 -0.751 1
1 292 . 7 1 1 A 29 29 HIS CA C 29 59.370 59.874 -0.504 1
1 293 . 7 1 1 A 29 29 HIS CB C 29 28.596 29.803 -1.207 1
1 296 . 7 1 1 A 29 29 HIS N N 29 120.366 119.209 1.157 1
1 297 . 7 1 1 A 30 30 GLN H H 30 8.437 8.488 -0.051 1
1 298 . 7 1 1 A 30 30 GLN HA H 30 3.714 3.797 -0.083 1
1 305 . 7 1 1 A 30 30 GLN C C 30 177.902 179.354 -1.452 1
1 306 . 7 1 1 A 30 30 GLN CA C 30 59.344 58.555 0.789 1
1 307 . 7 1 1 A 30 30 GLN CB C 30 28.168 28.182 -0.014 1
1 309 . 7 1 1 A 30 30 GLN N N 30 115.477 116.751 -1.274 1
1 311 . 7 1 1 A 31 31 GLY H H 31 7.466 8.334 -0.868 1
1 312 . 7 1 1 A 31 31 GLY HA2 H 31 3.969 3.672 0.297 1
1 313 . 7 1 1 A 31 31 GLY HA3 H 31 3.850 3.696 0.154 1
1 314 . 7 1 1 A 31 31 GLY C C 31 175.915 175.922 -0.007 1
1 315 . 7 1 1 A 31 31 GLY CA C 31 46.630 47.295 -0.665 1
1 316 . 7 1 1 A 31 31 GLY N N 31 105.808 108.542 -2.734 1
1 317 . 7 1 1 A 32 32 ILE H H 32 7.806 8.212 -0.406 1
1 318 . 7 1 1 A 32 32 ILE HA H 32 4.000 3.757 0.243 1
1 328 . 7 1 1 A 32 32 ILE C C 32 177.427 177.529 -0.102 1
1 329 . 7 1 1 A 32 32 ILE CA C 32 62.775 64.392 -1.617 1
1 330 . 7 1 1 A 32 32 ILE CB C 32 37.641 37.351 0.290 1
1 334 . 7 1 1 A 32 32 ILE N N 32 117.910 120.233 -2.323 1
1 335 . 7 1 1 A 33 33 HIS H H 33 7.263 7.367 -0.104 1
1 336 . 7 1 1 A 33 33 HIS HA H 33 4.807 4.304 0.503 1
1 341 . 7 1 1 A 33 33 HIS C C 33 175.667 177.919 -2.252 1
1 342 . 7 1 1 A 33 33 HIS CA C 33 55.199 58.917 -3.718 1
1 343 . 7 1 1 A 33 33 HIS CB C 33 28.669 29.868 -1.199 1
1 346 . 7 1 1 A 33 33 HIS N N 33 118.200 121.097 -2.897 1
1 347 . 7 1 1 A 34 34 THR H H 34 7.742 8.339 -0.597 1
1 348 . 7 1 1 A 34 34 THR HA H 34 4.299 3.981 0.318 1
1 353 . 7 1 1 A 34 34 THR C C 34 175.347 176.540 -1.193 1
1 354 . 7 1 1 A 34 34 THR CA C 34 62.279 65.202 -2.923 1
1 355 . 7 1 1 A 34 34 THR CB C 34 69.771 68.675 1.096 1
1 357 . 7 1 1 A 34 34 THR N N 34 111.663 112.849 -1.186 1
1 358 . 7 1 1 A 35 35 GLY H H 35 8.208 7.745 0.463 1
1 359 . 7 1 1 A 35 35 GLY HA2 H 35 3.956 4.019 -0.063 1
1 360 . 7 1 1 A 35 35 GLY HA3 H 35 3.956 4.031 -0.075 1
1 361 . 7 1 1 A 35 35 GLY C C 35 174.200 174.523 -0.323 1
1 362 . 7 1 1 A 35 35 GLY CA C 35 45.464 44.642 0.822 1
1 363 . 7 1 1 A 35 35 GLY N N 35 110.990 108.745 2.245 1
1 364 . 7 1 1 A 36 36 VAL H H 36 7.948 8.274 -0.326 1
1 365 . 7 1 1 A 36 36 VAL HA H 36 4.124 3.891 0.233 1
1 373 . 7 1 1 A 36 36 VAL C C 36 176.269 175.285 0.984 1
1 374 . 7 1 1 A 36 36 VAL CA C 36 62.268 63.223 -0.955 1
1 375 . 7 1 1 A 36 36 VAL CB C 36 32.701 31.884 0.817 1
1 378 . 7 1 1 A 36 36 VAL N N 36 119.178 122.840 -3.662 1
1 379 . 7 1 1 A 37 37 SER H H 37 8.363 8.798 -0.435 1
1 380 . 7 1 1 A 37 37 SER HA H 37 4.451 5.462 -1.011 1
1 383 . 7 1 1 A 37 37 SER C C 37 174.469 173.387 1.082 1
1 384 . 7 1 1 A 37 37 SER CA C 37 58.264 56.050 2.214 1
1 385 . 7 1 1 A 37 37 SER CB C 37 64.029 66.594 -2.565 1
1 386 . 7 1 1 A 37 37 SER N N 37 119.506 123.197 -3.691 1
1 387 . 7 1 1 A 38 38 GLY H H 38 8.206 8.255 -0.049 1
1 388 . 7 1 1 A 38 38 GLY HA2 H 38 4.113 4.219 -0.106 1
1 389 . 7 1 1 A 38 38 GLY HA3 H 38 4.011 4.223 -0.212 1
1 390 . 7 1 1 A 38 38 GLY C C 38 171.689 174.252 -2.563 1
1 391 . 7 1 1 A 38 38 GLY CA C 38 44.602 45.337 -0.735 1
1 392 . 7 1 1 A 38 38 GLY N N 38 110.830 110.561 0.269 1
1 393 . 7 1 1 A 39 39 PRO HA H 39 4.416 4.535 -0.119 1
1 400 . 7 1 1 A 39 39 PRO C C 39 177.347 177.330 0.017 1
1 401 . 7 1 1 A 39 39 PRO CA C 39 63.184 64.029 -0.845 1
1 402 . 7 1 1 A 39 39 PRO CB C 39 32.171 31.875 0.296 1
1 405 . 7 1 1 A 40 40 SER H H 40 8.503 8.173 0.330 1
1 406 . 7 1 1 A 40 40 SER HA H 40 4.455 4.220 0.235 1
1 409 . 7 1 1 A 40 40 SER C C 40 174.649 175.136 -0.487 1
1 410 . 7 1 1 A 40 40 SER CA C 40 58.366 61.359 -2.993 1
1 411 . 7 1 1 A 40 40 SER CB C 40 63.806 62.307 1.499 1
1 412 . 7 1 1 A 40 40 SER N N 40 116.420 112.905 3.515 1
1 413 . 7 1 1 A 41 41 SER H H 41 8.301 7.972 0.329 1
1 414 . 7 1 1 A 41 41 SER HA H 41 4.452 4.193 0.259 1
1 417 . 7 1 1 A 41 41 SER C C 41 173.899 174.976 -1.077 1
1 418 . 7 1 1 A 41 41 SER CA C 41 58.385 60.532 -2.147 1
1 419 . 7 1 1 A 41 41 SER CB C 41 64.120 62.644 1.476 1
1 420 . 7 1 1 A 41 41 SER N N 41 117.874 116.375 1.499 1
1 1 . 8 1 1 A 6 6 SER HA H 6 4.423 4.798 -0.375 1
1 4 . 8 1 1 A 6 6 SER C C 6 174.984 173.718 1.266 1
1 5 . 8 1 1 A 6 6 SER CA C 6 58.619 57.166 1.453 1
1 6 . 8 1 1 A 6 6 SER CB C 6 63.809 66.570 -2.761 1
1 7 . 8 1 1 A 7 7 GLY H H 7 8.330 8.566 -0.236 1
1 8 . 8 1 1 A 7 7 GLY HA2 H 7 3.853 4.051 -0.198 1
1 9 . 8 1 1 A 7 7 GLY HA3 H 7 3.853 4.056 -0.203 1
1 10 . 8 1 1 A 7 7 GLY C C 7 173.978 174.994 -1.016 1
1 11 . 8 1 1 A 7 7 GLY CA C 7 45.124 45.637 -0.513 1
1 12 . 8 1 1 A 7 7 GLY N N 7 110.444 111.320 -0.876 1
1 13 . 8 1 1 A 8 8 GLU H H 8 8.136 8.193 -0.057 1
1 14 . 8 1 1 A 8 8 GLU HA H 8 4.084 4.633 -0.549 1
1 19 . 8 1 1 A 8 8 GLU C C 8 176.363 176.762 -0.399 1
1 20 . 8 1 1 A 8 8 GLU CA C 8 56.807 55.132 1.675 1
1 21 . 8 1 1 A 8 8 GLU CB C 8 30.323 29.328 0.995 1
1 23 . 8 1 1 A 8 8 GLU N N 8 120.206 119.848 0.358 1
1 24 . 8 1 1 A 9 9 LYS H H 9 8.190 7.374 0.816 1
1 25 . 8 1 1 A 9 9 LYS HA H 9 4.401 4.320 0.081 1
1 34 . 8 1 1 A 9 9 LYS C C 9 173.724 176.635 -2.911 1
1 35 . 8 1 1 A 9 9 LYS CA C 9 53.773 54.936 -1.163 1
1 36 . 8 1 1 A 9 9 LYS CB C 9 33.324 31.910 1.414 1
1 40 . 8 1 1 A 9 9 LYS N N 9 121.893 121.542 0.351 1
1 41 . 8 1 1 A 10 10 PRO HA H 10 4.176 4.330 -0.154 1
1 48 . 8 1 1 A 10 10 PRO C C 10 176.542 175.952 0.590 1
1 49 . 8 1 1 A 10 10 PRO CA C 10 63.392 65.036 -1.644 1
1 50 . 8 1 1 A 10 10 PRO CB C 10 32.297 31.611 0.686 1
1 53 . 8 1 1 A 11 11 TYR H H 11 7.766 7.814 -0.048 1
1 54 . 8 1 1 A 11 11 TYR HA H 11 4.523 4.722 -0.199 1
1 61 . 8 1 1 A 11 11 TYR C C 11 174.276 176.378 -2.102 1
1 62 . 8 1 1 A 11 11 TYR CA C 11 58.052 58.170 -0.118 1
1 63 . 8 1 1 A 11 11 TYR CB C 11 38.185 39.465 -1.280 1
1 68 . 8 1 1 A 11 11 TYR N N 11 118.946 118.206 0.740 1
1 69 . 8 1 1 A 12 12 VAL H H 12 8.434 8.855 -0.421 1
1 70 . 8 1 1 A 12 12 VAL HA H 12 4.510 4.601 -0.091 1
1 78 . 8 1 1 A 12 12 VAL C C 12 175.589 175.237 0.352 1
1 79 . 8 1 1 A 12 12 VAL CA C 12 61.266 60.970 0.296 1
1 80 . 8 1 1 A 12 12 VAL CB C 12 34.474 35.277 -0.803 1
1 83 . 8 1 1 A 12 12 VAL N N 12 125.129 122.849 2.280 1
1 84 . 8 1 1 A 13 13 CYS H H 13 9.288 9.178 0.110 1
1 85 . 8 1 1 A 13 13 CYS HA H 13 4.486 4.570 -0.084 1
1 88 . 8 1 1 A 13 13 CYS C C 13 177.453 176.187 1.266 1
1 89 . 8 1 1 A 13 13 CYS CA C 13 59.913 60.221 -0.308 1
1 90 . 8 1 1 A 13 13 CYS CB C 13 29.670 28.710 0.960 1
1 91 . 8 1 1 A 13 13 CYS N N 13 129.949 127.550 2.399 1
1 92 . 8 1 1 A 14 14 SER H H 14 9.359 8.738 0.621 1
1 93 . 8 1 1 A 14 14 SER HA H 14 4.194 4.420 -0.226 1
1 96 . 8 1 1 A 14 14 SER C C 14 174.334 176.207 -1.873 1
1 97 . 8 1 1 A 14 14 SER CA C 14 61.015 59.560 1.455 1
1 98 . 8 1 1 A 14 14 SER CB C 14 63.031 64.063 -1.032 1
1 99 . 8 1 1 A 14 14 SER N N 14 128.692 120.372 8.320 1
1 100 . 8 1 1 A 15 15 ASP H H 15 8.616 7.865 0.751 1
1 101 . 8 1 1 A 15 15 ASP HA H 15 4.495 4.238 0.257 1
1 104 . 8 1 1 A 15 15 ASP C C 15 176.945 177.945 -1.000 1
1 105 . 8 1 1 A 15 15 ASP CA C 15 56.927 57.197 -0.270 1
1 106 . 8 1 1 A 15 15 ASP CB C 15 41.300 40.045 1.255 1
1 107 . 8 1 1 A 15 15 ASP N N 15 122.842 121.930 0.912 1
1 108 . 8 1 1 A 16 16 CYS H H 16 7.880 7.362 0.518 1
1 109 . 8 1 1 A 16 16 CYS HA H 16 5.095 4.571 0.524 1
1 112 . 8 1 1 A 16 16 CYS C C 16 176.300 175.230 1.070 1
1 113 . 8 1 1 A 16 16 CYS CA C 16 58.641 59.741 -1.100 1
1 114 . 8 1 1 A 16 16 CYS CB C 16 32.470 29.522 2.948 1
1 115 . 8 1 1 A 16 16 CYS N N 16 114.753 113.646 1.107 1
1 116 . 8 1 1 A 17 17 GLY H H 17 8.180 8.225 -0.045 1
1 117 . 8 1 1 A 17 17 GLY HA2 H 17 3.657 4.066 -0.409 1
1 118 . 8 1 1 A 17 17 GLY HA3 H 17 4.150 4.091 0.059 1
1 119 . 8 1 1 A 17 17 GLY C C 17 173.556 174.369 -0.813 1
1 120 . 8 1 1 A 17 17 GLY CA C 17 46.062 45.181 0.881 1
1 121 . 8 1 1 A 17 17 GLY N N 17 113.552 110.306 3.246 1
1 122 . 8 1 1 A 18 18 LYS H H 18 7.992 7.681 0.311 1
1 123 . 8 1 1 A 18 18 LYS HA H 18 3.843 4.181 -0.338 1
1 132 . 8 1 1 A 18 18 LYS C C 18 173.383 175.551 -2.168 1
1 133 . 8 1 1 A 18 18 LYS CA C 18 58.362 55.703 2.659 1
1 134 . 8 1 1 A 18 18 LYS CB C 18 33.336 32.689 0.647 1
1 138 . 8 1 1 A 18 18 LYS N N 18 123.588 122.214 1.374 1
1 139 . 8 1 1 A 19 19 ALA H H 19 7.646 8.199 -0.553 1
1 140 . 8 1 1 A 19 19 ALA HA H 19 5.124 4.677 0.447 1
1 144 . 8 1 1 A 19 19 ALA C C 19 176.333 176.643 -0.310 1
1 145 . 8 1 1 A 19 19 ALA CA C 19 50.076 51.741 -1.665 1
1 146 . 8 1 1 A 19 19 ALA CB C 19 22.792 20.094 2.698 1
1 147 . 8 1 1 A 19 19 ALA N N 19 124.673 128.735 -4.062 1
1 148 . 8 1 1 A 20 20 PHE H H 20 8.857 8.918 -0.061 1
1 149 . 8 1 1 A 20 20 PHE HA H 20 4.653 4.887 -0.234 1
1 157 . 8 1 1 A 20 20 PHE C C 20 175.110 175.742 -0.632 1
1 158 . 8 1 1 A 20 20 PHE CA C 20 57.317 56.743 0.574 1
1 159 . 8 1 1 A 20 20 PHE CB C 20 43.327 42.658 0.669 1
1 165 . 8 1 1 A 20 20 PHE N N 20 117.387 117.724 -0.337 1
1 166 . 8 1 1 A 21 21 THR H H 21 8.729 8.803 -0.074 1
1 167 . 8 1 1 A 21 21 THR HA H 21 4.005 4.042 -0.037 1
1 172 . 8 1 1 A 21 21 THR C C 21 173.500 174.841 -1.341 1
1 173 . 8 1 1 A 21 21 THR CA C 21 66.328 66.363 -0.035 1
1 174 . 8 1 1 A 21 21 THR CB C 21 69.605 68.441 1.164 1
1 176 . 8 1 1 A 21 21 THR N N 21 118.703 118.386 0.317 1
1 177 . 8 1 1 A 22 22 PHE H H 22 7.767 8.071 -0.304 1
1 178 . 8 1 1 A 22 22 PHE HA H 22 5.093 4.811 0.282 1
1 186 . 8 1 1 A 22 22 PHE C C 22 176.290 175.780 0.510 1
1 187 . 8 1 1 A 22 22 PHE CA C 22 55.753 57.096 -1.343 1
1 188 . 8 1 1 A 22 22 PHE CB C 22 42.016 41.181 0.835 1
1 194 . 8 1 1 A 22 22 PHE N N 22 114.810 117.853 -3.043 1
1 195 . 8 1 1 A 23 23 LYS H H 23 8.496 8.647 -0.151 1
1 196 . 8 1 1 A 23 23 LYS HA H 23 2.922 3.058 -0.136 1
1 205 . 8 1 1 A 23 23 LYS C C 23 178.191 177.678 0.513 1
1 206 . 8 1 1 A 23 23 LYS CA C 23 59.444 59.778 -0.334 1
1 207 . 8 1 1 A 23 23 LYS CB C 23 31.569 31.499 0.070 1
1 211 . 8 1 1 A 23 23 LYS N N 23 127.716 125.059 2.657 1
1 212 . 8 1 1 A 24 24 SER H H 24 8.519 7.801 0.718 1
1 213 . 8 1 1 A 24 24 SER HA H 24 3.838 3.961 -0.123 1
1 216 . 8 1 1 A 24 24 SER C C 24 176.778 177.131 -0.353 1
1 217 . 8 1 1 A 24 24 SER CA C 24 60.910 61.529 -0.619 1
1 218 . 8 1 1 A 24 24 SER CB C 24 61.337 62.859 -1.522 1
1 219 . 8 1 1 A 24 24 SER N N 24 111.904 114.086 -2.182 1
1 220 . 8 1 1 A 25 25 GLN H H 25 6.829 8.079 -1.250 1
1 221 . 8 1 1 A 25 25 GLN HA H 25 3.894 3.907 -0.013 1
1 228 . 8 1 1 A 25 25 GLN C C 25 178.758 178.097 0.661 1
1 229 . 8 1 1 A 25 25 GLN CA C 25 57.499 59.048 -1.549 1
1 230 . 8 1 1 A 25 25 GLN CB C 25 28.839 28.222 0.617 1
1 232 . 8 1 1 A 25 25 GLN N N 25 119.416 121.285 -1.869 1
1 234 . 8 1 1 A 26 26 LEU H H 26 6.900 7.310 -0.410 1
1 235 . 8 1 1 A 26 26 LEU HA H 26 3.218 2.976 0.242 1
1 245 . 8 1 1 A 26 26 LEU C C 26 177.322 178.581 -1.259 1
1 246 . 8 1 1 A 26 26 LEU CA C 26 57.675 57.698 -0.023 1
1 247 . 8 1 1 A 26 26 LEU CB C 26 40.250 41.723 -1.473 1
1 251 . 8 1 1 A 26 26 LEU N N 26 122.040 120.783 1.257 1
1 252 . 8 1 1 A 27 27 ILE H H 27 7.967 7.944 0.023 1
1 253 . 8 1 1 A 27 27 ILE HA H 27 3.683 3.578 0.105 1
1 263 . 8 1 1 A 27 27 ILE C C 27 179.261 178.559 0.702 1
1 264 . 8 1 1 A 27 27 ILE CA C 27 64.506 65.242 -0.736 1
1 265 . 8 1 1 A 27 27 ILE CB C 27 37.362 37.716 -0.354 1
1 269 . 8 1 1 A 27 27 ILE N N 27 118.724 120.074 -1.350 1
1 270 . 8 1 1 A 28 28 VAL H H 28 7.247 7.931 -0.684 1
1 271 . 8 1 1 A 28 28 VAL HA H 28 3.569 3.521 0.048 1
1 279 . 8 1 1 A 28 28 VAL C C 28 179.175 178.133 1.042 1
1 280 . 8 1 1 A 28 28 VAL CA C 28 66.301 65.918 0.383 1
1 281 . 8 1 1 A 28 28 VAL CB C 28 32.097 31.638 0.459 1
1 284 . 8 1 1 A 28 28 VAL N N 28 118.810 120.267 -1.457 1
1 285 . 8 1 1 A 29 29 HIS H H 29 7.552 7.894 -0.342 1
1 286 . 8 1 1 A 29 29 HIS HA H 29 4.109 4.064 0.045 1
1 291 . 8 1 1 A 29 29 HIS C C 29 175.916 176.699 -0.783 1
1 292 . 8 1 1 A 29 29 HIS CA C 29 59.370 59.853 -0.483 1
1 293 . 8 1 1 A 29 29 HIS CB C 29 28.596 29.488 -0.892 1
1 296 . 8 1 1 A 29 29 HIS N N 29 120.366 119.660 0.706 1
1 297 . 8 1 1 A 30 30 GLN H H 30 8.437 8.616 -0.179 1
1 298 . 8 1 1 A 30 30 GLN HA H 30 3.714 3.817 -0.103 1
1 305 . 8 1 1 A 30 30 GLN C C 30 177.902 179.380 -1.478 1
1 306 . 8 1 1 A 30 30 GLN CA C 30 59.344 58.659 0.685 1
1 307 . 8 1 1 A 30 30 GLN CB C 30 28.168 28.133 0.035 1
1 309 . 8 1 1 A 30 30 GLN N N 30 115.477 117.017 -1.540 1
1 311 . 8 1 1 A 31 31 GLY H H 31 7.466 7.952 -0.486 1
1 312 . 8 1 1 A 31 31 GLY HA2 H 31 3.969 3.641 0.328 1
1 313 . 8 1 1 A 31 31 GLY HA3 H 31 3.850 3.658 0.192 1
1 314 . 8 1 1 A 31 31 GLY C C 31 175.915 175.965 -0.050 1
1 315 . 8 1 1 A 31 31 GLY CA C 31 46.630 47.320 -0.690 1
1 316 . 8 1 1 A 31 31 GLY N N 31 105.808 108.821 -3.013 1
1 317 . 8 1 1 A 32 32 ILE H H 32 7.806 8.213 -0.407 1
1 318 . 8 1 1 A 32 32 ILE HA H 32 4.000 3.766 0.234 1
1 328 . 8 1 1 A 32 32 ILE C C 32 177.427 177.716 -0.289 1
1 329 . 8 1 1 A 32 32 ILE CA C 32 62.775 64.288 -1.513 1
1 330 . 8 1 1 A 32 32 ILE CB C 32 37.641 37.334 0.307 1
1 334 . 8 1 1 A 32 32 ILE N N 32 117.910 120.081 -2.171 1
1 335 . 8 1 1 A 33 33 HIS H H 33 7.263 7.259 0.004 1
1 336 . 8 1 1 A 33 33 HIS HA H 33 4.807 4.391 0.416 1
1 341 . 8 1 1 A 33 33 HIS C C 33 175.667 178.295 -2.628 1
1 342 . 8 1 1 A 33 33 HIS CA C 33 55.199 59.627 -4.428 1
1 343 . 8 1 1 A 33 33 HIS CB C 33 28.669 30.188 -1.519 1
1 346 . 8 1 1 A 33 33 HIS N N 33 118.200 120.769 -2.569 1
1 347 . 8 1 1 A 34 34 THR H H 34 7.742 7.679 0.063 1
1 348 . 8 1 1 A 34 34 THR HA H 34 4.299 4.084 0.215 1
1 353 . 8 1 1 A 34 34 THR C C 34 175.347 174.350 0.997 1
1 354 . 8 1 1 A 34 34 THR CA C 34 62.279 63.475 -1.196 1
1 355 . 8 1 1 A 34 34 THR CB C 34 69.771 69.840 -0.069 1
1 357 . 8 1 1 A 34 34 THR N N 34 111.663 110.163 1.500 1
1 358 . 8 1 1 A 35 35 GLY H H 35 8.208 8.020 0.188 1
1 359 . 8 1 1 A 35 35 GLY HA2 H 35 3.956 4.061 -0.105 1
1 360 . 8 1 1 A 35 35 GLY HA3 H 35 3.956 4.070 -0.114 1
1 361 . 8 1 1 A 35 35 GLY C C 35 174.200 172.633 1.567 1
1 362 . 8 1 1 A 35 35 GLY CA C 35 45.464 43.735 1.729 1
1 363 . 8 1 1 A 35 35 GLY N N 35 110.990 109.103 1.887 1
1 364 . 8 1 1 A 36 36 VAL H H 36 7.948 8.247 -0.299 1
1 365 . 8 1 1 A 36 36 VAL HA H 36 4.124 4.991 -0.867 1
1 373 . 8 1 1 A 36 36 VAL C C 36 176.269 174.895 1.374 1
1 374 . 8 1 1 A 36 36 VAL CA C 36 62.268 59.067 3.201 1
1 375 . 8 1 1 A 36 36 VAL CB C 36 32.701 35.252 -2.551 1
1 378 . 8 1 1 A 36 36 VAL N N 36 119.178 115.652 3.526 1
1 379 . 8 1 1 A 37 37 SER H H 37 8.363 8.801 -0.438 1
1 380 . 8 1 1 A 37 37 SER HA H 37 4.451 4.567 -0.116 1
1 383 . 8 1 1 A 37 37 SER C C 37 174.469 174.506 -0.037 1
1 384 . 8 1 1 A 37 37 SER CA C 37 58.264 59.246 -0.982 1
1 385 . 8 1 1 A 37 37 SER CB C 37 64.029 63.274 0.755 1
1 386 . 8 1 1 A 37 37 SER N N 37 119.506 119.960 -0.454 1
1 387 . 8 1 1 A 38 38 GLY H H 38 8.206 8.328 -0.122 1
1 388 . 8 1 1 A 38 38 GLY HA2 H 38 4.113 4.116 -0.003 1
1 389 . 8 1 1 A 38 38 GLY HA3 H 38 4.011 4.116 -0.105 1
1 390 . 8 1 1 A 38 38 GLY C C 38 171.689 173.699 -2.010 1
1 391 . 8 1 1 A 38 38 GLY CA C 38 44.602 46.044 -1.442 1
1 392 . 8 1 1 A 38 38 GLY N N 38 110.830 112.125 -1.295 1
1 393 . 8 1 1 A 39 39 PRO HA H 39 4.416 4.384 0.032 1
1 400 . 8 1 1 A 39 39 PRO C C 39 177.347 176.871 0.476 1
1 401 . 8 1 1 A 39 39 PRO CA C 39 63.184 63.780 -0.596 1
1 402 . 8 1 1 A 39 39 PRO CB C 39 32.171 31.882 0.289 1
1 405 . 8 1 1 A 40 40 SER H H 40 8.503 8.047 0.456 1
1 406 . 8 1 1 A 40 40 SER HA H 40 4.455 4.125 0.330 1
1 409 . 8 1 1 A 40 40 SER C C 40 174.649 172.654 1.995 1
1 410 . 8 1 1 A 40 40 SER CA C 40 58.366 59.170 -0.804 1
1 411 . 8 1 1 A 40 40 SER CB C 40 63.806 61.053 2.753 1
1 412 . 8 1 1 A 40 40 SER N N 40 116.420 113.026 3.394 1
1 413 . 8 1 1 A 41 41 SER H H 41 8.301 7.798 0.503 1
1 414 . 8 1 1 A 41 41 SER HA H 41 4.452 5.000 -0.548 1
1 417 . 8 1 1 A 41 41 SER C C 41 173.899 173.876 0.023 1
1 418 . 8 1 1 A 41 41 SER CA C 41 58.385 56.588 1.797 1
1 419 . 8 1 1 A 41 41 SER CB C 41 64.120 65.118 -0.998 1
1 420 . 8 1 1 A 41 41 SER N N 41 117.874 114.810 3.064 1
1 1 . 9 1 1 A 6 6 SER HA H 6 4.423 4.804 -0.381 1
1 4 . 9 1 1 A 6 6 SER C C 6 174.984 172.721 2.263 1
1 5 . 9 1 1 A 6 6 SER CA C 6 58.619 57.177 1.442 1
1 6 . 9 1 1 A 6 6 SER CB C 6 63.809 65.729 -1.920 1
1 7 . 9 1 1 A 7 7 GLY H H 7 8.330 8.291 0.039 1
1 8 . 9 1 1 A 7 7 GLY HA2 H 7 3.853 4.138 -0.285 1
1 9 . 9 1 1 A 7 7 GLY HA3 H 7 3.853 4.150 -0.297 1
1 10 . 9 1 1 A 7 7 GLY C C 7 173.978 173.024 0.954 1
1 11 . 9 1 1 A 7 7 GLY CA C 7 45.124 46.004 -0.880 1
1 12 . 9 1 1 A 7 7 GLY N N 7 110.444 113.096 -2.652 1
1 13 . 9 1 1 A 8 8 GLU H H 8 8.136 8.591 -0.455 1
1 14 . 9 1 1 A 8 8 GLU HA H 8 4.084 4.573 -0.489 1
1 19 . 9 1 1 A 8 8 GLU C C 8 176.363 175.867 0.496 1
1 20 . 9 1 1 A 8 8 GLU CA C 8 56.807 55.964 0.843 1
1 21 . 9 1 1 A 8 8 GLU CB C 8 30.323 29.581 0.742 1
1 23 . 9 1 1 A 8 8 GLU N N 8 120.206 122.884 -2.678 1
1 24 . 9 1 1 A 9 9 LYS H H 9 8.190 7.184 1.006 1
1 25 . 9 1 1 A 9 9 LYS HA H 9 4.401 4.302 0.099 1
1 34 . 9 1 1 A 9 9 LYS C C 9 173.724 176.849 -3.125 1
1 35 . 9 1 1 A 9 9 LYS CA C 9 53.773 55.131 -1.358 1
1 36 . 9 1 1 A 9 9 LYS CB C 9 33.324 31.993 1.331 1
1 40 . 9 1 1 A 9 9 LYS N N 9 121.893 120.630 1.263 1
1 41 . 9 1 1 A 10 10 PRO HA H 10 4.176 4.324 -0.148 1
1 48 . 9 1 1 A 10 10 PRO C C 10 176.542 175.989 0.553 1
1 49 . 9 1 1 A 10 10 PRO CA C 10 63.392 65.143 -1.751 1
1 50 . 9 1 1 A 10 10 PRO CB C 10 32.297 31.541 0.756 1
1 53 . 9 1 1 A 11 11 TYR H H 11 7.766 7.377 0.389 1
1 54 . 9 1 1 A 11 11 TYR HA H 11 4.523 4.712 -0.189 1
1 61 . 9 1 1 A 11 11 TYR C C 11 174.276 176.460 -2.184 1
1 62 . 9 1 1 A 11 11 TYR CA C 11 58.052 58.477 -0.425 1
1 63 . 9 1 1 A 11 11 TYR CB C 11 38.185 39.170 -0.985 1
1 68 . 9 1 1 A 11 11 TYR N N 11 118.946 118.206 0.740 1
1 69 . 9 1 1 A 12 12 VAL H H 12 8.434 8.870 -0.436 1
1 70 . 9 1 1 A 12 12 VAL HA H 12 4.510 4.629 -0.119 1
1 78 . 9 1 1 A 12 12 VAL C C 12 175.589 175.772 -0.183 1
1 79 . 9 1 1 A 12 12 VAL CA C 12 61.266 61.284 -0.018 1
1 80 . 9 1 1 A 12 12 VAL CB C 12 34.474 34.731 -0.257 1
1 83 . 9 1 1 A 12 12 VAL N N 12 125.129 123.028 2.101 1
1 84 . 9 1 1 A 13 13 CYS H H 13 9.288 9.131 0.157 1
1 85 . 9 1 1 A 13 13 CYS HA H 13 4.486 4.483 0.003 1
1 88 . 9 1 1 A 13 13 CYS C C 13 177.453 176.158 1.295 1
1 89 . 9 1 1 A 13 13 CYS CA C 13 59.913 60.172 -0.259 1
1 90 . 9 1 1 A 13 13 CYS CB C 13 29.670 28.753 0.917 1
1 91 . 9 1 1 A 13 13 CYS N N 13 129.949 127.498 2.451 1
1 92 . 9 1 1 A 14 14 SER H H 14 9.359 8.717 0.642 1
1 93 . 9 1 1 A 14 14 SER HA H 14 4.194 4.395 -0.201 1
1 96 . 9 1 1 A 14 14 SER C C 14 174.334 176.279 -1.945 1
1 97 . 9 1 1 A 14 14 SER CA C 14 61.015 59.522 1.493 1
1 98 . 9 1 1 A 14 14 SER CB C 14 63.031 64.074 -1.043 1
1 99 . 9 1 1 A 14 14 SER N N 14 128.692 120.393 8.299 1
1 100 . 9 1 1 A 15 15 ASP H H 15 8.616 7.727 0.889 1
1 101 . 9 1 1 A 15 15 ASP HA H 15 4.495 4.211 0.284 1
1 104 . 9 1 1 A 15 15 ASP C C 15 176.945 177.836 -0.891 1
1 105 . 9 1 1 A 15 15 ASP CA C 15 56.927 57.179 -0.252 1
1 106 . 9 1 1 A 15 15 ASP CB C 15 41.300 39.886 1.414 1
1 107 . 9 1 1 A 15 15 ASP N N 15 122.842 121.943 0.899 1
1 108 . 9 1 1 A 16 16 CYS H H 16 7.880 7.286 0.594 1
1 109 . 9 1 1 A 16 16 CYS HA H 16 5.095 4.593 0.502 1
1 112 . 9 1 1 A 16 16 CYS C C 16 176.300 175.224 1.076 1
1 113 . 9 1 1 A 16 16 CYS CA C 16 58.641 59.754 -1.113 1
1 114 . 9 1 1 A 16 16 CYS CB C 16 32.470 29.527 2.943 1
1 115 . 9 1 1 A 16 16 CYS N N 16 114.753 113.775 0.978 1
1 116 . 9 1 1 A 17 17 GLY H H 17 8.180 8.113 0.067 1
1 117 . 9 1 1 A 17 17 GLY HA2 H 17 3.657 4.079 -0.422 1
1 118 . 9 1 1 A 17 17 GLY HA3 H 17 4.150 4.099 0.051 1
1 119 . 9 1 1 A 17 17 GLY C C 17 173.556 174.446 -0.890 1
1 120 . 9 1 1 A 17 17 GLY CA C 17 46.062 45.050 1.012 1
1 121 . 9 1 1 A 17 17 GLY N N 17 113.552 110.270 3.282 1
1 122 . 9 1 1 A 18 18 LYS H H 18 7.992 7.657 0.335 1
1 123 . 9 1 1 A 18 18 LYS HA H 18 3.843 4.097 -0.254 1
1 132 . 9 1 1 A 18 18 LYS C C 18 173.383 175.759 -2.376 1
1 133 . 9 1 1 A 18 18 LYS CA C 18 58.362 56.227 2.135 1
1 134 . 9 1 1 A 18 18 LYS CB C 18 33.336 32.586 0.750 1
1 138 . 9 1 1 A 18 18 LYS N N 18 123.588 122.625 0.963 1
1 139 . 9 1 1 A 19 19 ALA H H 19 7.646 8.200 -0.554 1
1 140 . 9 1 1 A 19 19 ALA HA H 19 5.124 5.212 -0.088 1
1 144 . 9 1 1 A 19 19 ALA C C 19 176.333 176.456 -0.123 1
1 145 . 9 1 1 A 19 19 ALA CA C 19 50.076 51.357 -1.281 1
1 146 . 9 1 1 A 19 19 ALA CB C 19 22.792 20.272 2.520 1
1 147 . 9 1 1 A 19 19 ALA N N 19 124.673 128.943 -4.270 1
1 148 . 9 1 1 A 20 20 PHE H H 20 8.857 8.985 -0.128 1
1 149 . 9 1 1 A 20 20 PHE HA H 20 4.653 4.853 -0.200 1
1 157 . 9 1 1 A 20 20 PHE C C 20 175.110 175.642 -0.532 1
1 158 . 9 1 1 A 20 20 PHE CA C 20 57.317 56.670 0.647 1
1 159 . 9 1 1 A 20 20 PHE CB C 20 43.327 43.388 -0.061 1
1 165 . 9 1 1 A 20 20 PHE N N 20 117.387 117.098 0.289 1
1 166 . 9 1 1 A 21 21 THR H H 21 8.729 8.676 0.053 1
1 167 . 9 1 1 A 21 21 THR HA H 21 4.005 4.334 -0.329 1
1 172 . 9 1 1 A 21 21 THR C C 21 173.500 175.003 -1.503 1
1 173 . 9 1 1 A 21 21 THR CA C 21 66.328 63.865 2.463 1
1 174 . 9 1 1 A 21 21 THR CB C 21 69.605 68.996 0.609 1
1 176 . 9 1 1 A 21 21 THR N N 21 118.703 115.642 3.061 1
1 177 . 9 1 1 A 22 22 PHE H H 22 7.767 7.888 -0.121 1
1 178 . 9 1 1 A 22 22 PHE HA H 22 5.093 4.915 0.178 1
1 186 . 9 1 1 A 22 22 PHE C C 22 176.290 175.519 0.771 1
1 187 . 9 1 1 A 22 22 PHE CA C 22 55.753 56.935 -1.182 1
1 188 . 9 1 1 A 22 22 PHE CB C 22 42.016 41.113 0.903 1
1 194 . 9 1 1 A 22 22 PHE N N 22 114.810 118.027 -3.217 1
1 195 . 9 1 1 A 23 23 LYS H H 23 8.496 8.621 -0.125 1
1 196 . 9 1 1 A 23 23 LYS HA H 23 2.922 2.654 0.268 1
1 205 . 9 1 1 A 23 23 LYS C C 23 178.191 177.971 0.220 1
1 206 . 9 1 1 A 23 23 LYS CA C 23 59.444 59.523 -0.079 1
1 207 . 9 1 1 A 23 23 LYS CB C 23 31.569 32.009 -0.440 1
1 211 . 9 1 1 A 23 23 LYS N N 23 127.716 124.185 3.531 1
1 212 . 9 1 1 A 24 24 SER H H 24 8.519 8.035 0.484 1
1 213 . 9 1 1 A 24 24 SER HA H 24 3.838 4.021 -0.183 1
1 216 . 9 1 1 A 24 24 SER C C 24 176.778 176.655 0.123 1
1 217 . 9 1 1 A 24 24 SER CA C 24 60.910 61.895 -0.985 1
1 218 . 9 1 1 A 24 24 SER CB C 24 61.337 62.472 -1.135 1
1 219 . 9 1 1 A 24 24 SER N N 24 111.904 116.246 -4.342 1
1 220 . 9 1 1 A 25 25 GLN H H 25 6.829 8.153 -1.324 1
1 221 . 9 1 1 A 25 25 GLN HA H 25 3.894 3.868 0.026 1
1 228 . 9 1 1 A 25 25 GLN C C 25 178.758 178.008 0.750 1
1 229 . 9 1 1 A 25 25 GLN CA C 25 57.499 59.001 -1.502 1
1 230 . 9 1 1 A 25 25 GLN CB C 25 28.839 28.188 0.651 1
1 232 . 9 1 1 A 25 25 GLN N N 25 119.416 120.862 -1.446 1
1 234 . 9 1 1 A 26 26 LEU H H 26 6.900 7.438 -0.538 1
1 235 . 9 1 1 A 26 26 LEU HA H 26 3.218 3.136 0.082 1
1 245 . 9 1 1 A 26 26 LEU C C 26 177.322 178.574 -1.252 1
1 246 . 9 1 1 A 26 26 LEU CA C 26 57.675 57.581 0.094 1
1 247 . 9 1 1 A 26 26 LEU CB C 26 40.250 41.590 -1.340 1
1 251 . 9 1 1 A 26 26 LEU N N 26 122.040 120.221 1.819 1
1 252 . 9 1 1 A 27 27 ILE H H 27 7.967 8.065 -0.098 1
1 253 . 9 1 1 A 27 27 ILE HA H 27 3.683 3.609 0.074 1
1 263 . 9 1 1 A 27 27 ILE C C 27 179.261 178.451 0.810 1
1 264 . 9 1 1 A 27 27 ILE CA C 27 64.506 65.233 -0.727 1
1 265 . 9 1 1 A 27 27 ILE CB C 27 37.362 37.849 -0.487 1
1 269 . 9 1 1 A 27 27 ILE N N 27 118.724 120.065 -1.341 1
1 270 . 9 1 1 A 28 28 VAL H H 28 7.247 7.929 -0.682 1
1 271 . 9 1 1 A 28 28 VAL HA H 28 3.569 3.581 -0.012 1
1 279 . 9 1 1 A 28 28 VAL C C 28 179.175 177.984 1.191 1
1 280 . 9 1 1 A 28 28 VAL CA C 28 66.301 65.950 0.351 1
1 281 . 9 1 1 A 28 28 VAL CB C 28 32.097 31.649 0.448 1
1 284 . 9 1 1 A 28 28 VAL N N 28 118.810 120.746 -1.936 1
1 285 . 9 1 1 A 29 29 HIS H H 29 7.552 7.951 -0.399 1
1 286 . 9 1 1 A 29 29 HIS HA H 29 4.109 4.154 -0.045 1
1 291 . 9 1 1 A 29 29 HIS C C 29 175.916 177.034 -1.118 1
1 292 . 9 1 1 A 29 29 HIS CA C 29 59.370 60.100 -0.730 1
1 293 . 9 1 1 A 29 29 HIS CB C 29 28.596 29.343 -0.747 1
1 296 . 9 1 1 A 29 29 HIS N N 29 120.366 119.599 0.767 1
1 297 . 9 1 1 A 30 30 GLN H H 30 8.437 8.696 -0.259 1
1 298 . 9 1 1 A 30 30 GLN HA H 30 3.714 4.047 -0.333 1
1 305 . 9 1 1 A 30 30 GLN C C 30 177.902 179.527 -1.625 1
1 306 . 9 1 1 A 30 30 GLN CA C 30 59.344 58.670 0.674 1
1 307 . 9 1 1 A 30 30 GLN CB C 30 28.168 28.117 0.051 1
1 309 . 9 1 1 A 30 30 GLN N N 30 115.477 117.635 -2.158 1
1 311 . 9 1 1 A 31 31 GLY H H 31 7.466 7.950 -0.484 1
1 312 . 9 1 1 A 31 31 GLY HA2 H 31 3.969 3.585 0.384 1
1 313 . 9 1 1 A 31 31 GLY HA3 H 31 3.850 3.605 0.245 1
1 314 . 9 1 1 A 31 31 GLY C C 31 175.915 176.046 -0.131 1
1 315 . 9 1 1 A 31 31 GLY CA C 31 46.630 47.293 -0.663 1
1 316 . 9 1 1 A 31 31 GLY N N 31 105.808 108.803 -2.995 1
1 317 . 9 1 1 A 32 32 ILE H H 32 7.806 8.010 -0.204 1
1 318 . 9 1 1 A 32 32 ILE HA H 32 4.000 3.800 0.200 1
1 328 . 9 1 1 A 32 32 ILE C C 32 177.427 176.563 0.864 1
1 329 . 9 1 1 A 32 32 ILE CA C 32 62.775 63.649 -0.874 1
1 330 . 9 1 1 A 32 32 ILE CB C 32 37.641 37.332 0.309 1
1 334 . 9 1 1 A 32 32 ILE N N 32 117.910 119.473 -1.563 1
1 335 . 9 1 1 A 33 33 HIS H H 33 7.263 7.563 -0.300 1
1 336 . 9 1 1 A 33 33 HIS HA H 33 4.807 4.636 0.171 1
1 341 . 9 1 1 A 33 33 HIS C C 33 175.667 175.519 0.148 1
1 342 . 9 1 1 A 33 33 HIS CA C 33 55.199 54.855 0.344 1
1 343 . 9 1 1 A 33 33 HIS CB C 33 28.669 28.482 0.187 1
1 346 . 9 1 1 A 33 33 HIS N N 33 118.200 119.595 -1.395 1
1 347 . 9 1 1 A 34 34 THR H H 34 7.742 7.648 0.094 1
1 348 . 9 1 1 A 34 34 THR HA H 34 4.299 4.539 -0.240 1
1 353 . 9 1 1 A 34 34 THR C C 34 175.347 175.676 -0.329 1
1 354 . 9 1 1 A 34 34 THR CA C 34 62.279 62.177 0.102 1
1 355 . 9 1 1 A 34 34 THR CB C 34 69.771 70.016 -0.245 1
1 357 . 9 1 1 A 34 34 THR N N 34 111.663 110.662 1.001 1
1 358 . 9 1 1 A 35 35 GLY H H 35 8.208 7.756 0.452 1
1 359 . 9 1 1 A 35 35 GLY HA2 H 35 3.956 4.154 -0.198 1
1 360 . 9 1 1 A 35 35 GLY HA3 H 35 3.956 4.161 -0.205 1
1 361 . 9 1 1 A 35 35 GLY C C 35 174.200 174.904 -0.704 1
1 362 . 9 1 1 A 35 35 GLY CA C 35 45.464 45.893 -0.429 1
1 363 . 9 1 1 A 35 35 GLY N N 35 110.990 108.087 2.903 1
1 364 . 9 1 1 A 36 36 VAL H H 36 7.948 8.028 -0.080 1
1 365 . 9 1 1 A 36 36 VAL HA H 36 4.124 4.196 -0.072 1
1 373 . 9 1 1 A 36 36 VAL C C 36 176.269 176.208 0.061 1
1 374 . 9 1 1 A 36 36 VAL CA C 36 62.268 64.055 -1.787 1
1 375 . 9 1 1 A 36 36 VAL CB C 36 32.701 32.991 -0.290 1
1 378 . 9 1 1 A 36 36 VAL N N 36 119.178 119.864 -0.686 1
1 379 . 9 1 1 A 37 37 SER H H 37 8.363 7.805 0.558 1
1 380 . 9 1 1 A 37 37 SER HA H 37 4.451 4.249 0.202 1
1 383 . 9 1 1 A 37 37 SER C C 37 174.469 174.462 0.007 1
1 384 . 9 1 1 A 37 37 SER CA C 37 58.264 60.406 -2.142 1
1 385 . 9 1 1 A 37 37 SER CB C 37 64.029 63.618 0.411 1
1 386 . 9 1 1 A 37 37 SER N N 37 119.506 117.883 1.623 1
1 387 . 9 1 1 A 38 38 GLY H H 38 8.206 8.745 -0.539 1
1 388 . 9 1 1 A 38 38 GLY HA2 H 38 4.113 4.215 -0.102 1
1 389 . 9 1 1 A 38 38 GLY HA3 H 38 4.011 4.215 -0.204 1
1 390 . 9 1 1 A 38 38 GLY C C 38 171.689 172.846 -1.157 1
1 391 . 9 1 1 A 38 38 GLY CA C 38 44.602 43.795 0.807 1
1 392 . 9 1 1 A 38 38 GLY N N 38 110.830 114.394 -3.564 1
1 393 . 9 1 1 A 39 39 PRO HA H 39 4.416 4.450 -0.034 1
1 400 . 9 1 1 A 39 39 PRO C C 39 177.347 177.188 0.159 1
1 401 . 9 1 1 A 39 39 PRO CA C 39 63.184 63.221 -0.037 1
1 402 . 9 1 1 A 39 39 PRO CB C 39 32.171 30.841 1.330 1
1 405 . 9 1 1 A 40 40 SER H H 40 8.503 8.312 0.191 1
1 406 . 9 1 1 A 40 40 SER HA H 40 4.455 3.979 0.476 1
1 409 . 9 1 1 A 40 40 SER C C 40 174.649 173.006 1.643 1
1 410 . 9 1 1 A 40 40 SER CA C 40 58.366 58.892 -0.526 1
1 411 . 9 1 1 A 40 40 SER CB C 40 63.806 61.620 2.186 1
1 412 . 9 1 1 A 40 40 SER N N 40 116.420 113.095 3.325 1
1 413 . 9 1 1 A 41 41 SER H H 41 8.301 7.939 0.362 1
1 414 . 9 1 1 A 41 41 SER HA H 41 4.452 4.602 -0.150 1
1 417 . 9 1 1 A 41 41 SER C C 41 173.899 175.624 -1.725 1
1 418 . 9 1 1 A 41 41 SER CA C 41 58.385 58.649 -0.264 1
1 419 . 9 1 1 A 41 41 SER CB C 41 64.120 63.703 0.417 1
1 420 . 9 1 1 A 41 41 SER N N 41 117.874 114.236 3.638 1
1 1 . 10 1 1 A 6 6 SER HA H 6 4.423 4.153 0.270 1
1 4 . 10 1 1 A 6 6 SER C C 6 174.984 174.112 0.872 1
1 5 . 10 1 1 A 6 6 SER CA C 6 58.619 59.033 -0.414 1
1 6 . 10 1 1 A 6 6 SER CB C 6 63.809 60.939 2.870 1
1 7 . 10 1 1 A 7 7 GLY H H 7 8.330 7.924 0.406 1
1 8 . 10 1 1 A 7 7 GLY HA2 H 7 3.853 4.108 -0.255 1
1 9 . 10 1 1 A 7 7 GLY HA3 H 7 3.853 4.110 -0.257 1
1 10 . 10 1 1 A 7 7 GLY C C 7 173.978 173.169 0.809 1
1 11 . 10 1 1 A 7 7 GLY CA C 7 45.124 45.557 -0.433 1
1 12 . 10 1 1 A 7 7 GLY N N 7 110.444 108.738 1.706 1
1 13 . 10 1 1 A 8 8 GLU H H 8 8.136 8.389 -0.253 1
1 14 . 10 1 1 A 8 8 GLU HA H 8 4.084 4.885 -0.801 1
1 19 . 10 1 1 A 8 8 GLU C C 8 176.363 175.518 0.845 1
1 20 . 10 1 1 A 8 8 GLU CA C 8 56.807 55.259 1.548 1
1 21 . 10 1 1 A 8 8 GLU CB C 8 30.323 30.152 0.171 1
1 23 . 10 1 1 A 8 8 GLU N N 8 120.206 121.451 -1.245 1
1 24 . 10 1 1 A 9 9 LYS H H 9 8.190 8.416 -0.226 1
1 25 . 10 1 1 A 9 9 LYS HA H 9 4.401 4.230 0.171 1
1 34 . 10 1 1 A 9 9 LYS C C 9 173.724 176.837 -3.113 1
1 35 . 10 1 1 A 9 9 LYS CA C 9 53.773 55.146 -1.373 1
1 36 . 10 1 1 A 9 9 LYS CB C 9 33.324 31.926 1.398 1
1 40 . 10 1 1 A 9 9 LYS N N 9 121.893 125.603 -3.710 1
1 41 . 10 1 1 A 10 10 PRO HA H 10 4.176 4.299 -0.123 1
1 48 . 10 1 1 A 10 10 PRO C C 10 176.542 175.895 0.647 1
1 49 . 10 1 1 A 10 10 PRO CA C 10 63.392 65.086 -1.694 1
1 50 . 10 1 1 A 10 10 PRO CB C 10 32.297 31.614 0.683 1
1 53 . 10 1 1 A 11 11 TYR H H 11 7.766 7.305 0.461 1
1 54 . 10 1 1 A 11 11 TYR HA H 11 4.523 4.753 -0.230 1
1 61 . 10 1 1 A 11 11 TYR C C 11 174.276 176.379 -2.103 1
1 62 . 10 1 1 A 11 11 TYR CA C 11 58.052 58.239 -0.187 1
1 63 . 10 1 1 A 11 11 TYR CB C 11 38.185 40.031 -1.846 1
1 68 . 10 1 1 A 11 11 TYR N N 11 118.946 118.182 0.764 1
1 69 . 10 1 1 A 12 12 VAL H H 12 8.434 8.758 -0.324 1
1 70 . 10 1 1 A 12 12 VAL HA H 12 4.510 4.689 -0.179 1
1 78 . 10 1 1 A 12 12 VAL C C 12 175.589 175.464 0.125 1
1 79 . 10 1 1 A 12 12 VAL CA C 12 61.266 60.921 0.345 1
1 80 . 10 1 1 A 12 12 VAL CB C 12 34.474 35.294 -0.820 1
1 83 . 10 1 1 A 12 12 VAL N N 12 125.129 122.487 2.642 1
1 84 . 10 1 1 A 13 13 CYS H H 13 9.288 9.293 -0.005 1
1 85 . 10 1 1 A 13 13 CYS HA H 13 4.486 4.479 0.007 1
1 88 . 10 1 1 A 13 13 CYS C C 13 177.453 176.920 0.533 1
1 89 . 10 1 1 A 13 13 CYS CA C 13 59.913 60.432 -0.519 1
1 90 . 10 1 1 A 13 13 CYS CB C 13 29.670 29.288 0.382 1
1 91 . 10 1 1 A 13 13 CYS N N 13 129.949 127.419 2.530 1
1 92 . 10 1 1 A 14 14 SER H H 14 9.359 8.950 0.409 1
1 93 . 10 1 1 A 14 14 SER HA H 14 4.194 4.504 -0.310 1
1 96 . 10 1 1 A 14 14 SER C C 14 174.334 173.745 0.589 1
1 97 . 10 1 1 A 14 14 SER CA C 14 61.015 58.594 2.421 1
1 98 . 10 1 1 A 14 14 SER CB C 14 63.031 63.229 -0.198 1
1 99 . 10 1 1 A 14 14 SER N N 14 128.692 122.067 6.625 1
1 100 . 10 1 1 A 15 15 ASP H H 15 8.616 8.158 0.458 1
1 101 . 10 1 1 A 15 15 ASP HA H 15 4.495 4.731 -0.236 1
1 104 . 10 1 1 A 15 15 ASP C C 15 176.945 177.367 -0.422 1
1 105 . 10 1 1 A 15 15 ASP CA C 15 56.927 55.203 1.724 1
1 106 . 10 1 1 A 15 15 ASP CB C 15 41.300 43.159 -1.859 1
1 107 . 10 1 1 A 15 15 ASP N N 15 122.842 119.128 3.714 1
1 108 . 10 1 1 A 16 16 CYS H H 16 7.880 8.117 -0.237 1
1 109 . 10 1 1 A 16 16 CYS HA H 16 5.095 4.718 0.377 1
1 112 . 10 1 1 A 16 16 CYS C C 16 176.300 175.778 0.522 1
1 113 . 10 1 1 A 16 16 CYS CA C 16 58.641 59.446 -0.805 1
1 114 . 10 1 1 A 16 16 CYS CB C 16 32.470 30.080 2.390 1
1 115 . 10 1 1 A 16 16 CYS N N 16 114.753 114.416 0.337 1
1 116 . 10 1 1 A 17 17 GLY H H 17 8.180 8.193 -0.013 1
1 117 . 10 1 1 A 17 17 GLY HA2 H 17 3.657 4.076 -0.419 1
1 118 . 10 1 1 A 17 17 GLY HA3 H 17 4.150 4.093 0.057 1
1 119 . 10 1 1 A 17 17 GLY C C 17 173.556 174.242 -0.686 1
1 120 . 10 1 1 A 17 17 GLY CA C 17 46.062 45.203 0.859 1
1 121 . 10 1 1 A 17 17 GLY N N 17 113.552 110.096 3.456 1
1 122 . 10 1 1 A 18 18 LYS H H 18 7.992 7.943 0.049 1
1 123 . 10 1 1 A 18 18 LYS HA H 18 3.843 4.528 -0.685 1
1 132 . 10 1 1 A 18 18 LYS C C 18 173.383 175.525 -2.142 1
1 133 . 10 1 1 A 18 18 LYS CA C 18 58.362 54.873 3.489 1
1 134 . 10 1 1 A 18 18 LYS CB C 18 33.336 33.742 -0.406 1
1 138 . 10 1 1 A 18 18 LYS N N 18 123.588 121.536 2.052 1
1 139 . 10 1 1 A 19 19 ALA H H 19 7.646 8.434 -0.788 1
1 140 . 10 1 1 A 19 19 ALA HA H 19 5.124 4.953 0.171 1
1 144 . 10 1 1 A 19 19 ALA C C 19 176.333 176.731 -0.398 1
1 145 . 10 1 1 A 19 19 ALA CA C 19 50.076 51.583 -1.507 1
1 146 . 10 1 1 A 19 19 ALA CB C 19 22.792 20.296 2.496 1
1 147 . 10 1 1 A 19 19 ALA N N 19 124.673 128.827 -4.154 1
1 148 . 10 1 1 A 20 20 PHE H H 20 8.857 9.009 -0.152 1
1 149 . 10 1 1 A 20 20 PHE HA H 20 4.653 4.815 -0.162 1
1 157 . 10 1 1 A 20 20 PHE C C 20 175.110 175.649 -0.539 1
1 158 . 10 1 1 A 20 20 PHE CA C 20 57.317 56.819 0.498 1
1 159 . 10 1 1 A 20 20 PHE CB C 20 43.327 42.333 0.994 1
1 165 . 10 1 1 A 20 20 PHE N N 20 117.387 118.314 -0.927 1
1 166 . 10 1 1 A 21 21 THR H H 21 8.729 8.553 0.176 1
1 167 . 10 1 1 A 21 21 THR HA H 21 4.005 4.111 -0.106 1
1 172 . 10 1 1 A 21 21 THR C C 21 173.500 174.849 -1.349 1
1 173 . 10 1 1 A 21 21 THR CA C 21 66.328 65.915 0.413 1
1 174 . 10 1 1 A 21 21 THR CB C 21 69.605 68.250 1.355 1
1 176 . 10 1 1 A 21 21 THR N N 21 118.703 117.383 1.320 1
1 177 . 10 1 1 A 22 22 PHE H H 22 7.767 7.756 0.011 1
1 178 . 10 1 1 A 22 22 PHE HA H 22 5.093 4.817 0.276 1
1 186 . 10 1 1 A 22 22 PHE C C 22 176.290 175.813 0.477 1
1 187 . 10 1 1 A 22 22 PHE CA C 22 55.753 57.668 -1.915 1
1 188 . 10 1 1 A 22 22 PHE CB C 22 42.016 40.736 1.280 1
1 194 . 10 1 1 A 22 22 PHE N N 22 114.810 117.913 -3.103 1
1 195 . 10 1 1 A 23 23 LYS H H 23 8.496 8.711 -0.215 1
1 196 . 10 1 1 A 23 23 LYS HA H 23 2.922 2.949 -0.027 1
1 205 . 10 1 1 A 23 23 LYS C C 23 178.191 177.779 0.412 1
1 206 . 10 1 1 A 23 23 LYS CA C 23 59.444 59.539 -0.095 1
1 207 . 10 1 1 A 23 23 LYS CB C 23 31.569 32.000 -0.431 1
1 211 . 10 1 1 A 23 23 LYS N N 23 127.716 124.373 3.343 1
1 212 . 10 1 1 A 24 24 SER H H 24 8.519 7.926 0.593 1
1 213 . 10 1 1 A 24 24 SER HA H 24 3.838 3.980 -0.142 1
1 216 . 10 1 1 A 24 24 SER C C 24 176.778 177.070 -0.292 1
1 217 . 10 1 1 A 24 24 SER CA C 24 60.910 61.560 -0.650 1
1 218 . 10 1 1 A 24 24 SER CB C 24 61.337 62.904 -1.567 1
1 219 . 10 1 1 A 24 24 SER N N 24 111.904 113.879 -1.975 1
1 220 . 10 1 1 A 25 25 GLN H H 25 6.829 8.252 -1.423 1
1 221 . 10 1 1 A 25 25 GLN HA H 25 3.894 3.922 -0.028 1
1 228 . 10 1 1 A 25 25 GLN C C 25 178.758 178.186 0.572 1
1 229 . 10 1 1 A 25 25 GLN CA C 25 57.499 59.078 -1.579 1
1 230 . 10 1 1 A 25 25 GLN CB C 25 28.839 28.210 0.629 1
1 232 . 10 1 1 A 25 25 GLN N N 25 119.416 121.363 -1.947 1
1 234 . 10 1 1 A 26 26 LEU H H 26 6.900 7.601 -0.701 1
1 235 . 10 1 1 A 26 26 LEU HA H 26 3.218 2.976 0.242 1
1 245 . 10 1 1 A 26 26 LEU C C 26 177.322 178.670 -1.348 1
1 246 . 10 1 1 A 26 26 LEU CA C 26 57.675 57.778 -0.103 1
1 247 . 10 1 1 A 26 26 LEU CB C 26 40.250 41.535 -1.285 1
1 251 . 10 1 1 A 26 26 LEU N N 26 122.040 121.021 1.019 1
1 252 . 10 1 1 A 27 27 ILE H H 27 7.967 7.851 0.116 1
1 253 . 10 1 1 A 27 27 ILE HA H 27 3.683 3.545 0.138 1
1 263 . 10 1 1 A 27 27 ILE C C 27 179.261 178.444 0.817 1
1 264 . 10 1 1 A 27 27 ILE CA C 27 64.506 65.361 -0.855 1
1 265 . 10 1 1 A 27 27 ILE CB C 27 37.362 37.653 -0.291 1
1 269 . 10 1 1 A 27 27 ILE N N 27 118.724 120.012 -1.288 1
1 270 . 10 1 1 A 28 28 VAL H H 28 7.247 7.900 -0.653 1
1 271 . 10 1 1 A 28 28 VAL HA H 28 3.569 3.484 0.085 1
1 279 . 10 1 1 A 28 28 VAL C C 28 179.175 178.473 0.702 1
1 280 . 10 1 1 A 28 28 VAL CA C 28 66.301 66.535 -0.234 1
1 281 . 10 1 1 A 28 28 VAL CB C 28 32.097 31.522 0.575 1
1 284 . 10 1 1 A 28 28 VAL N N 28 118.810 120.242 -1.432 1
1 285 . 10 1 1 A 29 29 HIS H H 29 7.552 7.960 -0.408 1
1 286 . 10 1 1 A 29 29 HIS HA H 29 4.109 3.954 0.155 1
1 291 . 10 1 1 A 29 29 HIS C C 29 175.916 176.328 -0.412 1
1 292 . 10 1 1 A 29 29 HIS CA C 29 59.370 59.994 -0.624 1
1 293 . 10 1 1 A 29 29 HIS CB C 29 28.596 29.810 -1.214 1
1 296 . 10 1 1 A 29 29 HIS N N 29 120.366 118.999 1.367 1
1 297 . 10 1 1 A 30 30 GLN H H 30 8.437 8.673 -0.236 1
1 298 . 10 1 1 A 30 30 GLN HA H 30 3.714 3.902 -0.188 1
1 305 . 10 1 1 A 30 30 GLN C C 30 177.902 179.236 -1.334 1
1 306 . 10 1 1 A 30 30 GLN CA C 30 59.344 58.732 0.612 1
1 307 . 10 1 1 A 30 30 GLN CB C 30 28.168 28.243 -0.075 1
1 309 . 10 1 1 A 30 30 GLN N N 30 115.477 116.889 -1.412 1
1 311 . 10 1 1 A 31 31 GLY H H 31 7.466 8.420 -0.954 1
1 312 . 10 1 1 A 31 31 GLY HA2 H 31 3.969 3.633 0.336 1
1 313 . 10 1 1 A 31 31 GLY HA3 H 31 3.850 3.659 0.191 1
1 314 . 10 1 1 A 31 31 GLY C C 31 175.915 175.893 0.022 1
1 315 . 10 1 1 A 31 31 GLY CA C 31 46.630 47.270 -0.640 1
1 316 . 10 1 1 A 31 31 GLY N N 31 105.808 108.781 -2.973 1
1 317 . 10 1 1 A 32 32 ILE H H 32 7.806 8.162 -0.356 1
1 318 . 10 1 1 A 32 32 ILE HA H 32 4.000 3.729 0.271 1
1 328 . 10 1 1 A 32 32 ILE C C 32 177.427 177.521 -0.094 1
1 329 . 10 1 1 A 32 32 ILE CA C 32 62.775 64.242 -1.467 1
1 330 . 10 1 1 A 32 32 ILE CB C 32 37.641 37.277 0.364 1
1 334 . 10 1 1 A 32 32 ILE N N 32 117.910 120.143 -2.233 1
1 335 . 10 1 1 A 33 33 HIS H H 33 7.263 7.258 0.005 1
1 336 . 10 1 1 A 33 33 HIS HA H 33 4.807 4.423 0.384 1
1 341 . 10 1 1 A 33 33 HIS C C 33 175.667 175.684 -0.017 1
1 342 . 10 1 1 A 33 33 HIS CA C 33 55.199 58.805 -3.606 1
1 343 . 10 1 1 A 33 33 HIS CB C 33 28.669 31.041 -2.372 1
1 346 . 10 1 1 A 33 33 HIS N N 33 118.200 119.531 -1.331 1
1 347 . 10 1 1 A 34 34 THR H H 34 7.742 7.263 0.479 1
1 348 . 10 1 1 A 34 34 THR HA H 34 4.299 4.167 0.132 1
1 353 . 10 1 1 A 34 34 THR C C 34 175.347 175.218 0.129 1
1 354 . 10 1 1 A 34 34 THR CA C 34 62.279 63.195 -0.916 1
1 355 . 10 1 1 A 34 34 THR CB C 34 69.771 68.204 1.567 1
1 357 . 10 1 1 A 34 34 THR N N 34 111.663 106.588 5.075 1
1 358 . 10 1 1 A 35 35 GLY H H 35 8.208 8.236 -0.028 1
1 359 . 10 1 1 A 35 35 GLY HA2 H 35 3.956 4.133 -0.177 1
1 360 . 10 1 1 A 35 35 GLY HA3 H 35 3.956 4.139 -0.183 1
1 361 . 10 1 1 A 35 35 GLY C C 35 174.200 173.945 0.255 1
1 362 . 10 1 1 A 35 35 GLY CA C 35 45.464 45.217 0.247 1
1 363 . 10 1 1 A 35 35 GLY N N 35 110.990 113.502 -2.512 1
1 364 . 10 1 1 A 36 36 VAL H H 36 7.948 8.578 -0.630 1
1 365 . 10 1 1 A 36 36 VAL HA H 36 4.124 4.622 -0.498 1
1 373 . 10 1 1 A 36 36 VAL C C 36 176.269 174.329 1.940 1
1 374 . 10 1 1 A 36 36 VAL CA C 36 62.268 60.855 1.413 1
1 375 . 10 1 1 A 36 36 VAL CB C 36 32.701 35.253 -2.552 1
1 378 . 10 1 1 A 36 36 VAL N N 36 119.178 123.751 -4.573 1
1 379 . 10 1 1 A 37 37 SER H H 37 8.363 8.763 -0.400 1
1 380 . 10 1 1 A 37 37 SER HA H 37 4.451 5.041 -0.590 1
1 383 . 10 1 1 A 37 37 SER C C 37 174.469 173.441 1.028 1
1 384 . 10 1 1 A 37 37 SER CA C 37 58.264 56.715 1.549 1
1 385 . 10 1 1 A 37 37 SER CB C 37 64.029 63.562 0.467 1
1 386 . 10 1 1 A 37 37 SER N N 37 119.506 120.753 -1.247 1
1 387 . 10 1 1 A 38 38 GLY H H 38 8.206 8.099 0.107 1
1 388 . 10 1 1 A 38 38 GLY HA2 H 38 4.113 4.160 -0.047 1
1 389 . 10 1 1 A 38 38 GLY HA3 H 38 4.011 4.162 -0.151 1
1 390 . 10 1 1 A 38 38 GLY C C 38 171.689 171.532 0.157 1
1 391 . 10 1 1 A 38 38 GLY CA C 38 44.602 45.174 -0.572 1
1 392 . 10 1 1 A 38 38 GLY N N 38 110.830 111.606 -0.776 1
1 393 . 10 1 1 A 39 39 PRO HA H 39 4.416 4.758 -0.342 1
1 400 . 10 1 1 A 39 39 PRO C C 39 177.347 176.042 1.305 1
1 401 . 10 1 1 A 39 39 PRO CA C 39 63.184 62.753 0.431 1
1 402 . 10 1 1 A 39 39 PRO CB C 39 32.171 31.550 0.621 1
1 405 . 10 1 1 A 40 40 SER H H 40 8.503 8.577 -0.074 1
1 406 . 10 1 1 A 40 40 SER HA H 40 4.455 4.808 -0.353 1
1 409 . 10 1 1 A 40 40 SER C C 40 174.649 173.340 1.309 1
1 410 . 10 1 1 A 40 40 SER CA C 40 58.366 57.898 0.468 1
1 411 . 10 1 1 A 40 40 SER CB C 40 63.806 67.311 -3.505 1
1 412 . 10 1 1 A 40 40 SER N N 40 116.420 119.925 -3.505 1
1 413 . 10 1 1 A 41 41 SER H H 41 8.301 8.842 -0.541 1
1 414 . 10 1 1 A 41 41 SER HA H 41 4.452 4.463 -0.011 1
1 417 . 10 1 1 A 41 41 SER C C 41 173.899 173.763 0.136 1
1 418 . 10 1 1 A 41 41 SER CA C 41 58.385 59.134 -0.749 1
1 419 . 10 1 1 A 41 41 SER CB C 41 64.120 61.514 2.606 1
1 420 . 10 1 1 A 41 41 SER N N 41 117.874 121.778 -3.904 1
1 1 . 11 1 1 A 6 6 SER HA H 6 4.423 5.018 -0.595 1
1 4 . 11 1 1 A 6 6 SER C C 6 174.984 173.719 1.265 1
1 5 . 11 1 1 A 6 6 SER CA C 6 58.619 57.422 1.197 1
1 6 . 11 1 1 A 6 6 SER CB C 6 63.809 65.529 -1.720 1
1 7 . 11 1 1 A 7 7 GLY H H 7 8.330 8.295 0.035 1
1 8 . 11 1 1 A 7 7 GLY HA2 H 7 3.853 4.110 -0.257 1
1 9 . 11 1 1 A 7 7 GLY HA3 H 7 3.853 4.111 -0.258 1
1 10 . 11 1 1 A 7 7 GLY C C 7 173.978 172.676 1.302 1
1 11 . 11 1 1 A 7 7 GLY CA C 7 45.124 43.891 1.233 1
1 12 . 11 1 1 A 7 7 GLY N N 7 110.444 111.174 -0.730 1
1 13 . 11 1 1 A 8 8 GLU H H 8 8.136 8.338 -0.202 1
1 14 . 11 1 1 A 8 8 GLU HA H 8 4.084 4.956 -0.872 1
1 19 . 11 1 1 A 8 8 GLU C C 8 176.363 174.951 1.412 1
1 20 . 11 1 1 A 8 8 GLU CA C 8 56.807 54.489 2.318 1
1 21 . 11 1 1 A 8 8 GLU CB C 8 30.323 33.405 -3.082 1
1 23 . 11 1 1 A 8 8 GLU N N 8 120.206 116.073 4.133 1
1 24 . 11 1 1 A 9 9 LYS H H 9 8.190 8.690 -0.500 1
1 25 . 11 1 1 A 9 9 LYS HA H 9 4.401 4.505 -0.104 1
1 34 . 11 1 1 A 9 9 LYS C C 9 173.724 176.604 -2.880 1
1 35 . 11 1 1 A 9 9 LYS CA C 9 53.773 54.226 -0.453 1
1 36 . 11 1 1 A 9 9 LYS CB C 9 33.324 32.023 1.301 1
1 40 . 11 1 1 A 9 9 LYS N N 9 121.893 122.348 -0.455 1
1 41 . 11 1 1 A 10 10 PRO HA H 10 4.176 4.308 -0.132 1
1 48 . 11 1 1 A 10 10 PRO C C 10 176.542 175.970 0.572 1
1 49 . 11 1 1 A 10 10 PRO CA C 10 63.392 64.949 -1.557 1
1 50 . 11 1 1 A 10 10 PRO CB C 10 32.297 31.625 0.672 1
1 53 . 11 1 1 A 11 11 TYR H H 11 7.766 7.660 0.106 1
1 54 . 11 1 1 A 11 11 TYR HA H 11 4.523 4.711 -0.188 1
1 61 . 11 1 1 A 11 11 TYR C C 11 174.276 176.536 -2.260 1
1 62 . 11 1 1 A 11 11 TYR CA C 11 58.052 58.426 -0.374 1
1 63 . 11 1 1 A 11 11 TYR CB C 11 38.185 39.440 -1.255 1
1 68 . 11 1 1 A 11 11 TYR N N 11 118.946 118.200 0.746 1
1 69 . 11 1 1 A 12 12 VAL H H 12 8.434 8.805 -0.371 1
1 70 . 11 1 1 A 12 12 VAL HA H 12 4.510 4.549 -0.039 1
1 78 . 11 1 1 A 12 12 VAL C C 12 175.589 175.115 0.474 1
1 79 . 11 1 1 A 12 12 VAL CA C 12 61.266 61.011 0.255 1
1 80 . 11 1 1 A 12 12 VAL CB C 12 34.474 35.210 -0.736 1
1 83 . 11 1 1 A 12 12 VAL N N 12 125.129 122.778 2.351 1
1 84 . 11 1 1 A 13 13 CYS H H 13 9.288 9.240 0.048 1
1 85 . 11 1 1 A 13 13 CYS HA H 13 4.486 4.649 -0.163 1
1 88 . 11 1 1 A 13 13 CYS C C 13 177.453 174.775 2.678 1
1 89 . 11 1 1 A 13 13 CYS CA C 13 59.913 59.929 -0.016 1
1 90 . 11 1 1 A 13 13 CYS CB C 13 29.670 28.947 0.723 1
1 91 . 11 1 1 A 13 13 CYS N N 13 129.949 127.212 2.737 1
1 92 . 11 1 1 A 14 14 SER H H 14 9.359 8.994 0.365 1
1 93 . 11 1 1 A 14 14 SER HA H 14 4.194 4.540 -0.346 1
1 96 . 11 1 1 A 14 14 SER C C 14 174.334 175.619 -1.285 1
1 97 . 11 1 1 A 14 14 SER CA C 14 61.015 60.726 0.289 1
1 98 . 11 1 1 A 14 14 SER CB C 14 63.031 64.126 -1.095 1
1 99 . 11 1 1 A 14 14 SER N N 14 128.692 119.501 9.191 1
1 100 . 11 1 1 A 15 15 ASP H H 15 8.616 7.858 0.758 1
1 101 . 11 1 1 A 15 15 ASP HA H 15 4.495 4.197 0.298 1
1 104 . 11 1 1 A 15 15 ASP C C 15 176.945 177.966 -1.021 1
1 105 . 11 1 1 A 15 15 ASP CA C 15 56.927 57.218 -0.291 1
1 106 . 11 1 1 A 15 15 ASP CB C 15 41.300 39.716 1.584 1
1 107 . 11 1 1 A 15 15 ASP N N 15 122.842 122.045 0.797 1
1 108 . 11 1 1 A 16 16 CYS H H 16 7.880 7.446 0.434 1
1 109 . 11 1 1 A 16 16 CYS HA H 16 5.095 4.620 0.475 1
1 112 . 11 1 1 A 16 16 CYS C C 16 176.300 175.244 1.056 1
1 113 . 11 1 1 A 16 16 CYS CA C 16 58.641 59.791 -1.150 1
1 114 . 11 1 1 A 16 16 CYS CB C 16 32.470 29.508 2.962 1
1 115 . 11 1 1 A 16 16 CYS N N 16 114.753 113.684 1.069 1
1 116 . 11 1 1 A 17 17 GLY H H 17 8.180 8.210 -0.030 1
1 117 . 11 1 1 A 17 17 GLY HA2 H 17 3.657 4.055 -0.398 1
1 118 . 11 1 1 A 17 17 GLY HA3 H 17 4.150 4.072 0.078 1
1 119 . 11 1 1 A 17 17 GLY C C 17 173.556 174.442 -0.886 1
1 120 . 11 1 1 A 17 17 GLY CA C 17 46.062 45.129 0.933 1
1 121 . 11 1 1 A 17 17 GLY N N 17 113.552 110.304 3.248 1
1 122 . 11 1 1 A 18 18 LYS H H 18 7.992 7.663 0.329 1
1 123 . 11 1 1 A 18 18 LYS HA H 18 3.843 4.078 -0.235 1
1 132 . 11 1 1 A 18 18 LYS C C 18 173.383 175.450 -2.067 1
1 133 . 11 1 1 A 18 18 LYS CA C 18 58.362 56.144 2.218 1
1 134 . 11 1 1 A 18 18 LYS CB C 18 33.336 32.554 0.782 1
1 138 . 11 1 1 A 18 18 LYS N N 18 123.588 122.586 1.002 1
1 139 . 11 1 1 A 19 19 ALA H H 19 7.646 8.298 -0.652 1
1 140 . 11 1 1 A 19 19 ALA HA H 19 5.124 5.316 -0.192 1
1 144 . 11 1 1 A 19 19 ALA C C 19 176.333 176.321 0.012 1
1 145 . 11 1 1 A 19 19 ALA CA C 19 50.076 50.645 -0.569 1
1 146 . 11 1 1 A 19 19 ALA CB C 19 22.792 21.129 1.663 1
1 147 . 11 1 1 A 19 19 ALA N N 19 124.673 128.810 -4.137 1
1 148 . 11 1 1 A 20 20 PHE H H 20 8.857 8.922 -0.065 1
1 149 . 11 1 1 A 20 20 PHE HA H 20 4.653 4.854 -0.201 1
1 157 . 11 1 1 A 20 20 PHE C C 20 175.110 175.817 -0.707 1
1 158 . 11 1 1 A 20 20 PHE CA C 20 57.317 56.839 0.478 1
1 159 . 11 1 1 A 20 20 PHE CB C 20 43.327 42.543 0.784 1
1 165 . 11 1 1 A 20 20 PHE N N 20 117.387 117.846 -0.459 1
1 166 . 11 1 1 A 21 21 THR H H 21 8.729 8.677 0.052 1
1 167 . 11 1 1 A 21 21 THR HA H 21 4.005 4.219 -0.214 1
1 172 . 11 1 1 A 21 21 THR C C 21 173.500 174.975 -1.475 1
1 173 . 11 1 1 A 21 21 THR CA C 21 66.328 65.640 0.688 1
1 174 . 11 1 1 A 21 21 THR CB C 21 69.605 68.615 0.990 1
1 176 . 11 1 1 A 21 21 THR N N 21 118.703 116.646 2.057 1
1 177 . 11 1 1 A 22 22 PHE H H 22 7.767 8.042 -0.275 1
1 178 . 11 1 1 A 22 22 PHE HA H 22 5.093 4.870 0.223 1
1 186 . 11 1 1 A 22 22 PHE C C 22 176.290 175.492 0.798 1
1 187 . 11 1 1 A 22 22 PHE CA C 22 55.753 57.452 -1.699 1
1 188 . 11 1 1 A 22 22 PHE CB C 22 42.016 41.164 0.852 1
1 194 . 11 1 1 A 22 22 PHE N N 22 114.810 117.973 -3.163 1
1 195 . 11 1 1 A 23 23 LYS H H 23 8.496 8.714 -0.218 1
1 196 . 11 1 1 A 23 23 LYS HA H 23 2.922 2.868 0.054 1
1 205 . 11 1 1 A 23 23 LYS C C 23 178.191 177.872 0.319 1
1 206 . 11 1 1 A 23 23 LYS CA C 23 59.444 59.298 0.146 1
1 207 . 11 1 1 A 23 23 LYS CB C 23 31.569 31.987 -0.418 1
1 211 . 11 1 1 A 23 23 LYS N N 23 127.716 123.224 4.492 1
1 212 . 11 1 1 A 24 24 SER H H 24 8.519 8.316 0.203 1
1 213 . 11 1 1 A 24 24 SER HA H 24 3.838 4.164 -0.326 1
1 216 . 11 1 1 A 24 24 SER C C 24 176.778 177.272 -0.494 1
1 217 . 11 1 1 A 24 24 SER CA C 24 60.910 61.259 -0.349 1
1 218 . 11 1 1 A 24 24 SER CB C 24 61.337 62.451 -1.114 1
1 219 . 11 1 1 A 24 24 SER N N 24 111.904 115.547 -3.643 1
1 220 . 11 1 1 A 25 25 GLN H H 25 6.829 7.371 -0.542 1
1 221 . 11 1 1 A 25 25 GLN HA H 25 3.894 3.940 -0.046 1
1 228 . 11 1 1 A 25 25 GLN C C 25 178.758 177.979 0.779 1
1 229 . 11 1 1 A 25 25 GLN CA C 25 57.499 58.480 -0.981 1
1 230 . 11 1 1 A 25 25 GLN CB C 25 28.839 28.342 0.497 1
1 232 . 11 1 1 A 25 25 GLN N N 25 119.416 122.415 -2.999 1
1 234 . 11 1 1 A 26 26 LEU H H 26 6.900 7.362 -0.462 1
1 235 . 11 1 1 A 26 26 LEU HA H 26 3.218 3.375 -0.157 1
1 245 . 11 1 1 A 26 26 LEU C C 26 177.322 178.795 -1.473 1
1 246 . 11 1 1 A 26 26 LEU CA C 26 57.675 57.858 -0.183 1
1 247 . 11 1 1 A 26 26 LEU CB C 26 40.250 41.741 -1.491 1
1 251 . 11 1 1 A 26 26 LEU N N 26 122.040 121.015 1.025 1
1 252 . 11 1 1 A 27 27 ILE H H 27 7.967 7.841 0.126 1
1 253 . 11 1 1 A 27 27 ILE HA H 27 3.683 3.638 0.045 1
1 263 . 11 1 1 A 27 27 ILE C C 27 179.261 178.376 0.885 1
1 264 . 11 1 1 A 27 27 ILE CA C 27 64.506 65.386 -0.880 1
1 265 . 11 1 1 A 27 27 ILE CB C 27 37.362 37.799 -0.437 1
1 269 . 11 1 1 A 27 27 ILE N N 27 118.724 120.092 -1.368 1
1 270 . 11 1 1 A 28 28 VAL H H 28 7.247 7.674 -0.427 1
1 271 . 11 1 1 A 28 28 VAL HA H 28 3.569 3.488 0.081 1
1 279 . 11 1 1 A 28 28 VAL C C 28 179.175 178.255 0.920 1
1 280 . 11 1 1 A 28 28 VAL CA C 28 66.301 66.507 -0.206 1
1 281 . 11 1 1 A 28 28 VAL CB C 28 32.097 31.466 0.631 1
1 284 . 11 1 1 A 28 28 VAL N N 28 118.810 120.325 -1.515 1
1 285 . 11 1 1 A 29 29 HIS H H 29 7.552 7.915 -0.363 1
1 286 . 11 1 1 A 29 29 HIS HA H 29 4.109 4.029 0.080 1
1 291 . 11 1 1 A 29 29 HIS C C 29 175.916 176.688 -0.772 1
1 292 . 11 1 1 A 29 29 HIS CA C 29 59.370 60.104 -0.734 1
1 293 . 11 1 1 A 29 29 HIS CB C 29 28.596 29.420 -0.824 1
1 296 . 11 1 1 A 29 29 HIS N N 29 120.366 118.970 1.396 1
1 297 . 11 1 1 A 30 30 GLN H H 30 8.437 8.613 -0.176 1
1 298 . 11 1 1 A 30 30 GLN HA H 30 3.714 4.015 -0.301 1
1 305 . 11 1 1 A 30 30 GLN C C 30 177.902 179.542 -1.640 1
1 306 . 11 1 1 A 30 30 GLN CA C 30 59.344 58.764 0.580 1
1 307 . 11 1 1 A 30 30 GLN CB C 30 28.168 28.198 -0.030 1
1 309 . 11 1 1 A 30 30 GLN N N 30 115.477 117.856 -2.379 1
1 311 . 11 1 1 A 31 31 GLY H H 31 7.466 8.240 -0.774 1
1 312 . 11 1 1 A 31 31 GLY HA2 H 31 3.969 3.681 0.288 1
1 313 . 11 1 1 A 31 31 GLY HA3 H 31 3.850 3.701 0.149 1
1 314 . 11 1 1 A 31 31 GLY C C 31 175.915 175.997 -0.082 1
1 315 . 11 1 1 A 31 31 GLY CA C 31 46.630 47.129 -0.499 1
1 316 . 11 1 1 A 31 31 GLY N N 31 105.808 108.619 -2.811 1
1 317 . 11 1 1 A 32 32 ILE H H 32 7.806 8.095 -0.289 1
1 318 . 11 1 1 A 32 32 ILE HA H 32 4.000 3.753 0.247 1
1 328 . 11 1 1 A 32 32 ILE C C 32 177.427 176.554 0.873 1
1 329 . 11 1 1 A 32 32 ILE CA C 32 62.775 63.946 -1.171 1
1 330 . 11 1 1 A 32 32 ILE CB C 32 37.641 37.072 0.569 1
1 334 . 11 1 1 A 32 32 ILE N N 32 117.910 119.167 -1.257 1
1 335 . 11 1 1 A 33 33 HIS H H 33 7.263 7.806 -0.543 1
1 336 . 11 1 1 A 33 33 HIS HA H 33 4.807 4.664 0.143 1
1 341 . 11 1 1 A 33 33 HIS C C 33 175.667 174.183 1.484 1
1 342 . 11 1 1 A 33 33 HIS CA C 33 55.199 55.602 -0.403 1
1 343 . 11 1 1 A 33 33 HIS CB C 33 28.669 29.093 -0.424 1
1 346 . 11 1 1 A 33 33 HIS N N 33 118.200 119.521 -1.321 1
1 347 . 11 1 1 A 34 34 THR H H 34 7.742 7.314 0.428 1
1 348 . 11 1 1 A 34 34 THR HA H 34 4.299 4.646 -0.347 1
1 353 . 11 1 1 A 34 34 THR C C 34 175.347 174.811 0.536 1
1 354 . 11 1 1 A 34 34 THR CA C 34 62.279 60.381 1.898 1
1 355 . 11 1 1 A 34 34 THR CB C 34 69.771 71.600 -1.829 1
1 357 . 11 1 1 A 34 34 THR N N 34 111.663 109.345 2.318 1
1 358 . 11 1 1 A 35 35 GLY H H 35 8.208 8.492 -0.284 1
1 359 . 11 1 1 A 35 35 GLY HA2 H 35 3.956 3.969 -0.013 1
1 360 . 11 1 1 A 35 35 GLY HA3 H 35 3.956 3.974 -0.018 1
1 361 . 11 1 1 A 35 35 GLY C C 35 174.200 174.400 -0.200 1
1 362 . 11 1 1 A 35 35 GLY CA C 35 45.464 45.714 -0.250 1
1 363 . 11 1 1 A 35 35 GLY N N 35 110.990 111.299 -0.309 1
1 364 . 11 1 1 A 36 36 VAL H H 36 7.948 7.941 0.007 1
1 365 . 11 1 1 A 36 36 VAL HA H 36 4.124 4.111 0.013 1
1 373 . 11 1 1 A 36 36 VAL C C 36 176.269 175.805 0.464 1
1 374 . 11 1 1 A 36 36 VAL CA C 36 62.268 62.105 0.163 1
1 375 . 11 1 1 A 36 36 VAL CB C 36 32.701 32.182 0.519 1
1 378 . 11 1 1 A 36 36 VAL N N 36 119.178 120.845 -1.667 1
1 379 . 11 1 1 A 37 37 SER H H 37 8.363 8.643 -0.280 1
1 380 . 11 1 1 A 37 37 SER HA H 37 4.451 4.361 0.090 1
1 383 . 11 1 1 A 37 37 SER C C 37 174.469 174.367 0.102 1
1 384 . 11 1 1 A 37 37 SER CA C 37 58.264 59.083 -0.819 1
1 385 . 11 1 1 A 37 37 SER CB C 37 64.029 63.462 0.567 1
1 386 . 11 1 1 A 37 37 SER N N 37 119.506 117.964 1.542 1
1 387 . 11 1 1 A 38 38 GLY H H 38 8.206 8.337 -0.131 1
1 388 . 11 1 1 A 38 38 GLY HA2 H 38 4.113 4.159 -0.046 1
1 389 . 11 1 1 A 38 38 GLY HA3 H 38 4.011 4.163 -0.152 1
1 390 . 11 1 1 A 38 38 GLY C C 38 171.689 173.515 -1.826 1
1 391 . 11 1 1 A 38 38 GLY CA C 38 44.602 45.608 -1.006 1
1 392 . 11 1 1 A 38 38 GLY N N 38 110.830 108.875 1.955 1
1 393 . 11 1 1 A 39 39 PRO HA H 39 4.416 4.624 -0.208 1
1 400 . 11 1 1 A 39 39 PRO C C 39 177.347 176.415 0.932 1
1 401 . 11 1 1 A 39 39 PRO CA C 39 63.184 63.769 -0.585 1
1 402 . 11 1 1 A 39 39 PRO CB C 39 32.171 31.754 0.417 1
1 405 . 11 1 1 A 40 40 SER H H 40 8.503 7.899 0.604 1
1 406 . 11 1 1 A 40 40 SER HA H 40 4.455 4.443 0.012 1
1 409 . 11 1 1 A 40 40 SER C C 40 174.649 174.789 -0.140 1
1 410 . 11 1 1 A 40 40 SER CA C 40 58.366 60.431 -2.065 1
1 411 . 11 1 1 A 40 40 SER CB C 40 63.806 63.759 0.047 1
1 412 . 11 1 1 A 40 40 SER N N 40 116.420 116.432 -0.012 1
1 413 . 11 1 1 A 41 41 SER H H 41 8.301 8.379 -0.078 1
1 414 . 11 1 1 A 41 41 SER HA H 41 4.452 4.368 0.084 1
1 417 . 11 1 1 A 41 41 SER C C 41 173.899 175.073 -1.174 1
1 418 . 11 1 1 A 41 41 SER CA C 41 58.385 60.515 -2.130 1
1 419 . 11 1 1 A 41 41 SER CB C 41 64.120 63.555 0.565 1
1 420 . 11 1 1 A 41 41 SER N N 41 117.874 121.128 -3.254 1
1 1 . 12 1 1 A 6 6 SER HA H 6 4.423 4.343 0.080 1
1 4 . 12 1 1 A 6 6 SER C C 6 174.984 174.489 0.495 1
1 5 . 12 1 1 A 6 6 SER CA C 6 58.619 58.921 -0.302 1
1 6 . 12 1 1 A 6 6 SER CB C 6 63.809 63.787 0.022 1
1 7 . 12 1 1 A 7 7 GLY H H 7 8.330 8.296 0.034 1
1 8 . 12 1 1 A 7 7 GLY HA2 H 7 3.853 4.108 -0.255 1
1 9 . 12 1 1 A 7 7 GLY HA3 H 7 3.853 4.113 -0.260 1
1 10 . 12 1 1 A 7 7 GLY C C 7 173.978 174.478 -0.500 1
1 11 . 12 1 1 A 7 7 GLY CA C 7 45.124 45.690 -0.566 1
1 12 . 12 1 1 A 7 7 GLY N N 7 110.444 113.218 -2.774 1
1 13 . 12 1 1 A 8 8 GLU H H 8 8.136 7.791 0.345 1
1 14 . 12 1 1 A 8 8 GLU HA H 8 4.084 4.282 -0.198 1
1 19 . 12 1 1 A 8 8 GLU C C 8 176.363 175.634 0.729 1
1 20 . 12 1 1 A 8 8 GLU CA C 8 56.807 57.325 -0.518 1
1 21 . 12 1 1 A 8 8 GLU CB C 8 30.323 30.508 -0.185 1
1 23 . 12 1 1 A 8 8 GLU N N 8 120.206 120.425 -0.219 1
1 24 . 12 1 1 A 9 9 LYS H H 9 8.190 8.258 -0.068 1
1 25 . 12 1 1 A 9 9 LYS HA H 9 4.401 4.869 -0.468 1
1 34 . 12 1 1 A 9 9 LYS C C 9 173.724 175.993 -2.269 1
1 35 . 12 1 1 A 9 9 LYS CA C 9 53.773 53.010 0.763 1
1 36 . 12 1 1 A 9 9 LYS CB C 9 33.324 34.406 -1.082 1
1 40 . 12 1 1 A 9 9 LYS N N 9 121.893 123.654 -1.761 1
1 41 . 12 1 1 A 10 10 PRO HA H 10 4.176 4.330 -0.154 1
1 48 . 12 1 1 A 10 10 PRO C C 10 176.542 175.968 0.574 1
1 49 . 12 1 1 A 10 10 PRO CA C 10 63.392 64.963 -1.571 1
1 50 . 12 1 1 A 10 10 PRO CB C 10 32.297 31.624 0.673 1
1 53 . 12 1 1 A 11 11 TYR H H 11 7.766 7.743 0.023 1
1 54 . 12 1 1 A 11 11 TYR HA H 11 4.523 4.741 -0.218 1
1 61 . 12 1 1 A 11 11 TYR C C 11 174.276 176.435 -2.159 1
1 62 . 12 1 1 A 11 11 TYR CA C 11 58.052 58.648 -0.596 1
1 63 . 12 1 1 A 11 11 TYR CB C 11 38.185 39.731 -1.546 1
1 68 . 12 1 1 A 11 11 TYR N N 11 118.946 118.222 0.724 1
1 69 . 12 1 1 A 12 12 VAL H H 12 8.434 8.683 -0.249 1
1 70 . 12 1 1 A 12 12 VAL HA H 12 4.510 4.638 -0.128 1
1 78 . 12 1 1 A 12 12 VAL C C 12 175.589 174.739 0.850 1
1 79 . 12 1 1 A 12 12 VAL CA C 12 61.266 61.315 -0.049 1
1 80 . 12 1 1 A 12 12 VAL CB C 12 34.474 35.443 -0.969 1
1 83 . 12 1 1 A 12 12 VAL N N 12 125.129 121.773 3.356 1
1 84 . 12 1 1 A 13 13 CYS H H 13 9.288 9.154 0.134 1
1 85 . 12 1 1 A 13 13 CYS HA H 13 4.486 4.702 -0.216 1
1 88 . 12 1 1 A 13 13 CYS C C 13 177.453 174.739 2.714 1
1 89 . 12 1 1 A 13 13 CYS CA C 13 59.913 59.705 0.208 1
1 90 . 12 1 1 A 13 13 CYS CB C 13 29.670 28.755 0.915 1
1 91 . 12 1 1 A 13 13 CYS N N 13 129.949 127.142 2.807 1
1 92 . 12 1 1 A 14 14 SER H H 14 9.359 8.978 0.381 1
1 93 . 12 1 1 A 14 14 SER HA H 14 4.194 4.530 -0.336 1
1 96 . 12 1 1 A 14 14 SER C C 14 174.334 175.683 -1.349 1
1 97 . 12 1 1 A 14 14 SER CA C 14 61.015 60.717 0.298 1
1 98 . 12 1 1 A 14 14 SER CB C 14 63.031 64.099 -1.068 1
1 99 . 12 1 1 A 14 14 SER N N 14 128.692 119.612 9.080 1
1 100 . 12 1 1 A 15 15 ASP H H 15 8.616 7.870 0.746 1
1 101 . 12 1 1 A 15 15 ASP HA H 15 4.495 4.218 0.277 1
1 104 . 12 1 1 A 15 15 ASP C C 15 176.945 177.905 -0.960 1
1 105 . 12 1 1 A 15 15 ASP CA C 15 56.927 57.231 -0.304 1
1 106 . 12 1 1 A 15 15 ASP CB C 15 41.300 39.853 1.447 1
1 107 . 12 1 1 A 15 15 ASP N N 15 122.842 122.061 0.781 1
1 108 . 12 1 1 A 16 16 CYS H H 16 7.880 7.362 0.518 1
1 109 . 12 1 1 A 16 16 CYS HA H 16 5.095 4.589 0.506 1
1 112 . 12 1 1 A 16 16 CYS C C 16 176.300 175.249 1.051 1
1 113 . 12 1 1 A 16 16 CYS CA C 16 58.641 59.762 -1.121 1
1 114 . 12 1 1 A 16 16 CYS CB C 16 32.470 29.521 2.949 1
1 115 . 12 1 1 A 16 16 CYS N N 16 114.753 113.502 1.251 1
1 116 . 12 1 1 A 17 17 GLY H H 17 8.180 8.248 -0.068 1
1 117 . 12 1 1 A 17 17 GLY HA2 H 17 3.657 4.053 -0.396 1
1 118 . 12 1 1 A 17 17 GLY HA3 H 17 4.150 4.068 0.082 1
1 119 . 12 1 1 A 17 17 GLY C C 17 173.556 174.398 -0.842 1
1 120 . 12 1 1 A 17 17 GLY CA C 17 46.062 45.313 0.749 1
1 121 . 12 1 1 A 17 17 GLY N N 17 113.552 110.342 3.210 1
1 122 . 12 1 1 A 18 18 LYS H H 18 7.992 7.549 0.443 1
1 123 . 12 1 1 A 18 18 LYS HA H 18 3.843 4.262 -0.419 1
1 132 . 12 1 1 A 18 18 LYS C C 18 173.383 175.801 -2.418 1
1 133 . 12 1 1 A 18 18 LYS CA C 18 58.362 55.571 2.791 1
1 134 . 12 1 1 A 18 18 LYS CB C 18 33.336 32.768 0.568 1
1 138 . 12 1 1 A 18 18 LYS N N 18 123.588 122.029 1.559 1
1 139 . 12 1 1 A 19 19 ALA H H 19 7.646 8.338 -0.692 1
1 140 . 12 1 1 A 19 19 ALA HA H 19 5.124 5.067 0.057 1
1 144 . 12 1 1 A 19 19 ALA C C 19 176.333 176.632 -0.299 1
1 145 . 12 1 1 A 19 19 ALA CA C 19 50.076 51.301 -1.225 1
1 146 . 12 1 1 A 19 19 ALA CB C 19 22.792 20.469 2.323 1
1 147 . 12 1 1 A 19 19 ALA N N 19 124.673 128.976 -4.303 1
1 148 . 12 1 1 A 20 20 PHE H H 20 8.857 8.790 0.067 1
1 149 . 12 1 1 A 20 20 PHE HA H 20 4.653 4.915 -0.262 1
1 157 . 12 1 1 A 20 20 PHE C C 20 175.110 175.735 -0.625 1
1 158 . 12 1 1 A 20 20 PHE CA C 20 57.317 56.744 0.573 1
1 159 . 12 1 1 A 20 20 PHE CB C 20 43.327 43.165 0.162 1
1 165 . 12 1 1 A 20 20 PHE N N 20 117.387 117.556 -0.169 1
1 166 . 12 1 1 A 21 21 THR H H 21 8.729 8.917 -0.188 1
1 167 . 12 1 1 A 21 21 THR HA H 21 4.005 4.423 -0.418 1
1 172 . 12 1 1 A 21 21 THR C C 21 173.500 175.179 -1.679 1
1 173 . 12 1 1 A 21 21 THR CA C 21 66.328 65.017 1.311 1
1 174 . 12 1 1 A 21 21 THR CB C 21 69.605 69.262 0.343 1
1 176 . 12 1 1 A 21 21 THR N N 21 118.703 116.330 2.373 1
1 177 . 12 1 1 A 22 22 PHE H H 22 7.767 8.206 -0.439 1
1 178 . 12 1 1 A 22 22 PHE HA H 22 5.093 4.788 0.305 1
1 186 . 12 1 1 A 22 22 PHE C C 22 176.290 175.556 0.734 1
1 187 . 12 1 1 A 22 22 PHE CA C 22 55.753 57.473 -1.720 1
1 188 . 12 1 1 A 22 22 PHE CB C 22 42.016 41.096 0.920 1
1 194 . 12 1 1 A 22 22 PHE N N 22 114.810 117.845 -3.035 1
1 195 . 12 1 1 A 23 23 LYS H H 23 8.496 8.668 -0.172 1
1 196 . 12 1 1 A 23 23 LYS HA H 23 2.922 2.898 0.024 1
1 205 . 12 1 1 A 23 23 LYS C C 23 178.191 177.803 0.388 1
1 206 . 12 1 1 A 23 23 LYS CA C 23 59.444 59.351 0.093 1
1 207 . 12 1 1 A 23 23 LYS CB C 23 31.569 32.110 -0.541 1
1 211 . 12 1 1 A 23 23 LYS N N 23 127.716 123.262 4.454 1
1 212 . 12 1 1 A 24 24 SER H H 24 8.519 7.955 0.564 1
1 213 . 12 1 1 A 24 24 SER HA H 24 3.838 4.009 -0.171 1
1 216 . 12 1 1 A 24 24 SER C C 24 176.778 177.034 -0.256 1
1 217 . 12 1 1 A 24 24 SER CA C 24 60.910 61.562 -0.652 1
1 218 . 12 1 1 A 24 24 SER CB C 24 61.337 62.933 -1.596 1
1 219 . 12 1 1 A 24 24 SER N N 24 111.904 114.137 -2.233 1
1 220 . 12 1 1 A 25 25 GLN H H 25 6.829 8.101 -1.272 1
1 221 . 12 1 1 A 25 25 GLN HA H 25 3.894 3.803 0.091 1
1 228 . 12 1 1 A 25 25 GLN C C 25 178.758 178.053 0.705 1
1 229 . 12 1 1 A 25 25 GLN CA C 25 57.499 58.833 -1.334 1
1 230 . 12 1 1 A 25 25 GLN CB C 25 28.839 27.987 0.852 1
1 232 . 12 1 1 A 25 25 GLN N N 25 119.416 121.438 -2.022 1
1 234 . 12 1 1 A 26 26 LEU H H 26 6.900 7.510 -0.610 1
1 235 . 12 1 1 A 26 26 LEU HA H 26 3.218 3.298 -0.080 1
1 245 . 12 1 1 A 26 26 LEU C C 26 177.322 178.500 -1.178 1
1 246 . 12 1 1 A 26 26 LEU CA C 26 57.675 57.868 -0.193 1
1 247 . 12 1 1 A 26 26 LEU CB C 26 40.250 41.775 -1.525 1
1 251 . 12 1 1 A 26 26 LEU N N 26 122.040 121.058 0.982 1
1 252 . 12 1 1 A 27 27 ILE H H 27 7.967 7.914 0.053 1
1 253 . 12 1 1 A 27 27 ILE HA H 27 3.683 3.616 0.067 1
1 263 . 12 1 1 A 27 27 ILE C C 27 179.261 178.511 0.750 1
1 264 . 12 1 1 A 27 27 ILE CA C 27 64.506 65.412 -0.906 1
1 265 . 12 1 1 A 27 27 ILE CB C 27 37.362 37.780 -0.418 1
1 269 . 12 1 1 A 27 27 ILE N N 27 118.724 120.021 -1.297 1
1 270 . 12 1 1 A 28 28 VAL H H 28 7.247 8.053 -0.806 1
1 271 . 12 1 1 A 28 28 VAL HA H 28 3.569 3.507 0.062 1
1 279 . 12 1 1 A 28 28 VAL C C 28 179.175 178.332 0.843 1
1 280 . 12 1 1 A 28 28 VAL CA C 28 66.301 66.195 0.106 1
1 281 . 12 1 1 A 28 28 VAL CB C 28 32.097 31.472 0.625 1
1 284 . 12 1 1 A 28 28 VAL N N 28 118.810 120.386 -1.576 1
1 285 . 12 1 1 A 29 29 HIS H H 29 7.552 8.001 -0.449 1
1 286 . 12 1 1 A 29 29 HIS HA H 29 4.109 4.029 0.080 1
1 291 . 12 1 1 A 29 29 HIS C C 29 175.916 176.750 -0.834 1
1 292 . 12 1 1 A 29 29 HIS CA C 29 59.370 59.859 -0.489 1
1 293 . 12 1 1 A 29 29 HIS CB C 29 28.596 29.772 -1.176 1
1 296 . 12 1 1 A 29 29 HIS N N 29 120.366 119.674 0.692 1
1 297 . 12 1 1 A 30 30 GLN H H 30 8.437 8.713 -0.276 1
1 298 . 12 1 1 A 30 30 GLN HA H 30 3.714 4.030 -0.316 1
1 305 . 12 1 1 A 30 30 GLN C C 30 177.902 179.444 -1.542 1
1 306 . 12 1 1 A 30 30 GLN CA C 30 59.344 58.698 0.646 1
1 307 . 12 1 1 A 30 30 GLN CB C 30 28.168 28.239 -0.071 1
1 309 . 12 1 1 A 30 30 GLN N N 30 115.477 117.009 -1.532 1
1 311 . 12 1 1 A 31 31 GLY H H 31 7.466 8.288 -0.822 1
1 312 . 12 1 1 A 31 31 GLY HA2 H 31 3.969 3.635 0.334 1
1 313 . 12 1 1 A 31 31 GLY HA3 H 31 3.850 3.665 0.185 1
1 314 . 12 1 1 A 31 31 GLY C C 31 175.915 175.923 -0.008 1
1 315 . 12 1 1 A 31 31 GLY CA C 31 46.630 47.316 -0.686 1
1 316 . 12 1 1 A 31 31 GLY N N 31 105.808 108.605 -2.797 1
1 317 . 12 1 1 A 32 32 ILE H H 32 7.806 8.161 -0.355 1
1 318 . 12 1 1 A 32 32 ILE HA H 32 4.000 3.700 0.300 1
1 328 . 12 1 1 A 32 32 ILE C C 32 177.427 177.430 -0.003 1
1 329 . 12 1 1 A 32 32 ILE CA C 32 62.775 64.297 -1.522 1
1 330 . 12 1 1 A 32 32 ILE CB C 32 37.641 37.281 0.360 1
1 334 . 12 1 1 A 32 32 ILE N N 32 117.910 120.158 -2.248 1
1 335 . 12 1 1 A 33 33 HIS H H 33 7.263 7.199 0.064 1
1 336 . 12 1 1 A 33 33 HIS HA H 33 4.807 4.451 0.356 1
1 341 . 12 1 1 A 33 33 HIS C C 33 175.667 175.578 0.089 1
1 342 . 12 1 1 A 33 33 HIS CA C 33 55.199 59.064 -3.865 1
1 343 . 12 1 1 A 33 33 HIS CB C 33 28.669 29.885 -1.216 1
1 346 . 12 1 1 A 33 33 HIS N N 33 118.200 120.261 -2.061 1
1 347 . 12 1 1 A 34 34 THR H H 34 7.742 7.783 -0.041 1
1 348 . 12 1 1 A 34 34 THR HA H 34 4.299 3.990 0.309 1
1 353 . 12 1 1 A 34 34 THR C C 34 175.347 174.129 1.218 1
1 354 . 12 1 1 A 34 34 THR CA C 34 62.279 62.908 -0.629 1
1 355 . 12 1 1 A 34 34 THR CB C 34 69.771 66.793 2.978 1
1 357 . 12 1 1 A 34 34 THR N N 34 111.663 112.230 -0.567 1
1 358 . 12 1 1 A 35 35 GLY H H 35 8.208 8.171 0.037 1
1 359 . 12 1 1 A 35 35 GLY HA2 H 35 3.956 4.066 -0.110 1
1 360 . 12 1 1 A 35 35 GLY HA3 H 35 3.956 4.072 -0.116 1
1 361 . 12 1 1 A 35 35 GLY C C 35 174.200 173.556 0.644 1
1 362 . 12 1 1 A 35 35 GLY CA C 35 45.464 44.171 1.293 1
1 363 . 12 1 1 A 35 35 GLY N N 35 110.990 110.308 0.682 1
1 364 . 12 1 1 A 36 36 VAL H H 36 7.948 8.426 -0.478 1
1 365 . 12 1 1 A 36 36 VAL HA H 36 4.124 3.990 0.134 1
1 373 . 12 1 1 A 36 36 VAL C C 36 176.269 175.423 0.846 1
1 374 . 12 1 1 A 36 36 VAL CA C 36 62.268 63.330 -1.062 1
1 375 . 12 1 1 A 36 36 VAL CB C 36 32.701 32.121 0.580 1
1 378 . 12 1 1 A 36 36 VAL N N 36 119.178 120.564 -1.386 1
1 379 . 12 1 1 A 37 37 SER H H 37 8.363 8.744 -0.381 1
1 380 . 12 1 1 A 37 37 SER HA H 37 4.451 5.420 -0.969 1
1 383 . 12 1 1 A 37 37 SER C C 37 174.469 174.253 0.216 1
1 384 . 12 1 1 A 37 37 SER CA C 37 58.264 56.137 2.127 1
1 385 . 12 1 1 A 37 37 SER CB C 37 64.029 66.061 -2.032 1
1 386 . 12 1 1 A 37 37 SER N N 37 119.506 119.582 -0.076 1
1 387 . 12 1 1 A 38 38 GLY H H 38 8.206 8.679 -0.473 1
1 388 . 12 1 1 A 38 38 GLY HA2 H 38 4.113 4.210 -0.097 1
1 389 . 12 1 1 A 38 38 GLY HA3 H 38 4.011 4.211 -0.200 1
1 390 . 12 1 1 A 38 38 GLY C C 38 171.689 172.947 -1.258 1
1 391 . 12 1 1 A 38 38 GLY CA C 38 44.602 43.903 0.699 1
1 392 . 12 1 1 A 38 38 GLY N N 38 110.830 108.876 1.954 1
1 393 . 12 1 1 A 39 39 PRO HA H 39 4.416 4.391 0.025 1
1 400 . 12 1 1 A 39 39 PRO C C 39 177.347 177.408 -0.061 1
1 401 . 12 1 1 A 39 39 PRO CA C 39 63.184 63.383 -0.199 1
1 402 . 12 1 1 A 39 39 PRO CB C 39 32.171 31.232 0.939 1
1 405 . 12 1 1 A 40 40 SER H H 40 8.503 8.918 -0.415 1
1 406 . 12 1 1 A 40 40 SER HA H 40 4.455 4.125 0.330 1
1 409 . 12 1 1 A 40 40 SER C C 40 174.649 174.494 0.155 1
1 410 . 12 1 1 A 40 40 SER CA C 40 58.366 59.312 -0.946 1
1 411 . 12 1 1 A 40 40 SER CB C 40 63.806 61.547 2.259 1
1 412 . 12 1 1 A 40 40 SER N N 40 116.420 118.648 -2.228 1
1 413 . 12 1 1 A 41 41 SER H H 41 8.301 7.895 0.406 1
1 414 . 12 1 1 A 41 41 SER HA H 41 4.452 4.728 -0.276 1
1 417 . 12 1 1 A 41 41 SER C C 41 173.899 174.449 -0.550 1
1 418 . 12 1 1 A 41 41 SER CA C 41 58.385 57.305 1.080 1
1 419 . 12 1 1 A 41 41 SER CB C 41 64.120 63.476 0.644 1
1 420 . 12 1 1 A 41 41 SER N N 41 117.874 115.741 2.133 1
1 1 . 13 1 1 A 6 6 SER HA H 6 4.423 4.691 -0.268 1
1 4 . 13 1 1 A 6 6 SER C C 6 174.984 175.357 -0.373 1
1 5 . 13 1 1 A 6 6 SER CA C 6 58.619 60.352 -1.733 1
1 6 . 13 1 1 A 6 6 SER CB C 6 63.809 64.395 -0.586 1
1 7 . 13 1 1 A 7 7 GLY H H 7 8.330 7.842 0.488 1
1 8 . 13 1 1 A 7 7 GLY HA2 H 7 3.853 4.043 -0.190 1
1 9 . 13 1 1 A 7 7 GLY HA3 H 7 3.853 4.046 -0.193 1
1 10 . 13 1 1 A 7 7 GLY C C 7 173.978 173.258 0.720 1
1 11 . 13 1 1 A 7 7 GLY CA C 7 45.124 44.291 0.833 1
1 12 . 13 1 1 A 7 7 GLY N N 7 110.444 109.317 1.127 1
1 13 . 13 1 1 A 8 8 GLU H H 8 8.136 8.559 -0.423 1
1 14 . 13 1 1 A 8 8 GLU HA H 8 4.084 5.055 -0.971 1
1 19 . 13 1 1 A 8 8 GLU C C 8 176.363 174.519 1.844 1
1 20 . 13 1 1 A 8 8 GLU CA C 8 56.807 54.925 1.882 1
1 21 . 13 1 1 A 8 8 GLU CB C 8 30.323 32.764 -2.441 1
1 23 . 13 1 1 A 8 8 GLU N N 8 120.206 120.286 -0.080 1
1 24 . 13 1 1 A 9 9 LYS H H 9 8.190 8.513 -0.323 1
1 25 . 13 1 1 A 9 9 LYS HA H 9 4.401 4.733 -0.332 1
1 34 . 13 1 1 A 9 9 LYS C C 9 173.724 176.389 -2.665 1
1 35 . 13 1 1 A 9 9 LYS CA C 9 53.773 53.122 0.651 1
1 36 . 13 1 1 A 9 9 LYS CB C 9 33.324 32.639 0.685 1
1 40 . 13 1 1 A 9 9 LYS N N 9 121.893 120.577 1.316 1
1 41 . 13 1 1 A 10 10 PRO HA H 10 4.176 4.301 -0.125 1
1 48 . 13 1 1 A 10 10 PRO C C 10 176.542 175.874 0.668 1
1 49 . 13 1 1 A 10 10 PRO CA C 10 63.392 64.954 -1.562 1
1 50 . 13 1 1 A 10 10 PRO CB C 10 32.297 31.649 0.648 1
1 53 . 13 1 1 A 11 11 TYR H H 11 7.766 7.757 0.009 1
1 54 . 13 1 1 A 11 11 TYR HA H 11 4.523 4.716 -0.193 1
1 61 . 13 1 1 A 11 11 TYR C C 11 174.276 176.269 -1.993 1
1 62 . 13 1 1 A 11 11 TYR CA C 11 58.052 58.348 -0.296 1
1 63 . 13 1 1 A 11 11 TYR CB C 11 38.185 39.717 -1.532 1
1 68 . 13 1 1 A 11 11 TYR N N 11 118.946 118.678 0.268 1
1 69 . 13 1 1 A 12 12 VAL H H 12 8.434 8.714 -0.280 1
1 70 . 13 1 1 A 12 12 VAL HA H 12 4.510 4.823 -0.313 1
1 78 . 13 1 1 A 12 12 VAL C C 12 175.589 174.942 0.647 1
1 79 . 13 1 1 A 12 12 VAL CA C 12 61.266 61.363 -0.097 1
1 80 . 13 1 1 A 12 12 VAL CB C 12 34.474 35.437 -0.963 1
1 83 . 13 1 1 A 12 12 VAL N N 12 125.129 121.148 3.981 1
1 84 . 13 1 1 A 13 13 CYS H H 13 9.288 9.438 -0.150 1
1 85 . 13 1 1 A 13 13 CYS HA H 13 4.486 4.626 -0.140 1
1 88 . 13 1 1 A 13 13 CYS C C 13 177.453 174.729 2.724 1
1 89 . 13 1 1 A 13 13 CYS CA C 13 59.913 59.825 0.088 1
1 90 . 13 1 1 A 13 13 CYS CB C 13 29.670 28.925 0.745 1
1 91 . 13 1 1 A 13 13 CYS N N 13 129.949 127.260 2.689 1
1 92 . 13 1 1 A 14 14 SER H H 14 9.359 8.944 0.415 1
1 93 . 13 1 1 A 14 14 SER HA H 14 4.194 4.482 -0.288 1
1 96 . 13 1 1 A 14 14 SER C C 14 174.334 175.840 -1.506 1
1 97 . 13 1 1 A 14 14 SER CA C 14 61.015 59.273 1.742 1
1 98 . 13 1 1 A 14 14 SER CB C 14 63.031 64.693 -1.662 1
1 99 . 13 1 1 A 14 14 SER N N 14 128.692 119.751 8.941 1
1 100 . 13 1 1 A 15 15 ASP H H 15 8.616 7.642 0.974 1
1 101 . 13 1 1 A 15 15 ASP HA H 15 4.495 4.247 0.248 1
1 104 . 13 1 1 A 15 15 ASP C C 15 176.945 177.590 -0.645 1
1 105 . 13 1 1 A 15 15 ASP CA C 15 56.927 57.104 -0.177 1
1 106 . 13 1 1 A 15 15 ASP CB C 15 41.300 40.397 0.903 1
1 107 . 13 1 1 A 15 15 ASP N N 15 122.842 121.088 1.754 1
1 108 . 13 1 1 A 16 16 CYS H H 16 7.880 7.788 0.092 1
1 109 . 13 1 1 A 16 16 CYS HA H 16 5.095 4.604 0.491 1
1 112 . 13 1 1 A 16 16 CYS C C 16 176.300 175.193 1.107 1
1 113 . 13 1 1 A 16 16 CYS CA C 16 58.641 59.879 -1.238 1
1 114 . 13 1 1 A 16 16 CYS CB C 16 32.470 29.474 2.996 1
1 115 . 13 1 1 A 16 16 CYS N N 16 114.753 114.751 0.002 1
1 116 . 13 1 1 A 17 17 GLY H H 17 8.180 8.166 0.014 1
1 117 . 13 1 1 A 17 17 GLY HA2 H 17 3.657 4.069 -0.412 1
1 118 . 13 1 1 A 17 17 GLY HA3 H 17 4.150 4.086 0.064 1
1 119 . 13 1 1 A 17 17 GLY C C 17 173.556 174.553 -0.997 1
1 120 . 13 1 1 A 17 17 GLY CA C 17 46.062 45.116 0.946 1
1 121 . 13 1 1 A 17 17 GLY N N 17 113.552 110.430 3.122 1
1 122 . 13 1 1 A 18 18 LYS H H 18 7.992 7.529 0.463 1
1 123 . 13 1 1 A 18 18 LYS HA H 18 3.843 4.256 -0.413 1
1 132 . 13 1 1 A 18 18 LYS C C 18 173.383 175.598 -2.215 1
1 133 . 13 1 1 A 18 18 LYS CA C 18 58.362 55.752 2.610 1
1 134 . 13 1 1 A 18 18 LYS CB C 18 33.336 33.451 -0.115 1
1 138 . 13 1 1 A 18 18 LYS N N 18 123.588 122.398 1.190 1
1 139 . 13 1 1 A 19 19 ALA H H 19 7.646 8.450 -0.804 1
1 140 . 13 1 1 A 19 19 ALA HA H 19 5.124 5.331 -0.207 1
1 144 . 13 1 1 A 19 19 ALA C C 19 176.333 176.464 -0.131 1
1 145 . 13 1 1 A 19 19 ALA CA C 19 50.076 50.775 -0.699 1
1 146 . 13 1 1 A 19 19 ALA CB C 19 22.792 21.077 1.715 1
1 147 . 13 1 1 A 19 19 ALA N N 19 124.673 127.976 -3.303 1
1 148 . 13 1 1 A 20 20 PHE H H 20 8.857 8.837 0.020 1
1 149 . 13 1 1 A 20 20 PHE HA H 20 4.653 4.947 -0.294 1
1 157 . 13 1 1 A 20 20 PHE C C 20 175.110 175.900 -0.790 1
1 158 . 13 1 1 A 20 20 PHE CA C 20 57.317 56.512 0.805 1
1 159 . 13 1 1 A 20 20 PHE CB C 20 43.327 42.142 1.185 1
1 165 . 13 1 1 A 20 20 PHE N N 20 117.387 119.114 -1.727 1
1 166 . 13 1 1 A 21 21 THR H H 21 8.729 8.535 0.194 1
1 167 . 13 1 1 A 21 21 THR HA H 21 4.005 4.212 -0.207 1
1 172 . 13 1 1 A 21 21 THR C C 21 173.500 175.172 -1.672 1
1 173 . 13 1 1 A 21 21 THR CA C 21 66.328 65.746 0.582 1
1 174 . 13 1 1 A 21 21 THR CB C 21 69.605 68.867 0.738 1
1 176 . 13 1 1 A 21 21 THR N N 21 118.703 117.289 1.414 1
1 177 . 13 1 1 A 22 22 PHE H H 22 7.767 8.185 -0.418 1
1 178 . 13 1 1 A 22 22 PHE HA H 22 5.093 4.795 0.298 1
1 186 . 13 1 1 A 22 22 PHE C C 22 176.290 176.082 0.208 1
1 187 . 13 1 1 A 22 22 PHE CA C 22 55.753 57.599 -1.846 1
1 188 . 13 1 1 A 22 22 PHE CB C 22 42.016 40.941 1.075 1
1 194 . 13 1 1 A 22 22 PHE N N 22 114.810 118.223 -3.413 1
1 195 . 13 1 1 A 23 23 LYS H H 23 8.496 8.771 -0.275 1
1 196 . 13 1 1 A 23 23 LYS HA H 23 2.922 2.886 0.036 1
1 205 . 13 1 1 A 23 23 LYS C C 23 178.191 178.228 -0.037 1
1 206 . 13 1 1 A 23 23 LYS CA C 23 59.444 59.480 -0.036 1
1 207 . 13 1 1 A 23 23 LYS CB C 23 31.569 31.888 -0.319 1
1 211 . 13 1 1 A 23 23 LYS N N 23 127.716 123.410 4.306 1
1 212 . 13 1 1 A 24 24 SER H H 24 8.519 8.162 0.357 1
1 213 . 13 1 1 A 24 24 SER HA H 24 3.838 3.990 -0.152 1
1 216 . 13 1 1 A 24 24 SER C C 24 176.778 176.602 0.176 1
1 217 . 13 1 1 A 24 24 SER CA C 24 60.910 61.803 -0.893 1
1 218 . 13 1 1 A 24 24 SER CB C 24 61.337 62.760 -1.423 1
1 219 . 13 1 1 A 24 24 SER N N 24 111.904 116.693 -4.789 1
1 220 . 13 1 1 A 25 25 GLN H H 25 6.829 8.092 -1.263 1
1 221 . 13 1 1 A 25 25 GLN HA H 25 3.894 3.912 -0.018 1
1 228 . 13 1 1 A 25 25 GLN C C 25 178.758 178.048 0.710 1
1 229 . 13 1 1 A 25 25 GLN CA C 25 57.499 58.813 -1.314 1
1 230 . 13 1 1 A 25 25 GLN CB C 25 28.839 28.231 0.608 1
1 232 . 13 1 1 A 25 25 GLN N N 25 119.416 121.070 -1.654 1
1 234 . 13 1 1 A 26 26 LEU H H 26 6.900 7.460 -0.560 1
1 235 . 13 1 1 A 26 26 LEU HA H 26 3.218 3.145 0.073 1
1 245 . 13 1 1 A 26 26 LEU C C 26 177.322 178.505 -1.183 1
1 246 . 13 1 1 A 26 26 LEU CA C 26 57.675 57.616 0.059 1
1 247 . 13 1 1 A 26 26 LEU CB C 26 40.250 41.579 -1.329 1
1 251 . 13 1 1 A 26 26 LEU N N 26 122.040 120.152 1.888 1
1 252 . 13 1 1 A 27 27 ILE H H 27 7.967 7.916 0.051 1
1 253 . 13 1 1 A 27 27 ILE HA H 27 3.683 3.610 0.073 1
1 263 . 13 1 1 A 27 27 ILE C C 27 179.261 178.470 0.791 1
1 264 . 13 1 1 A 27 27 ILE CA C 27 64.506 65.374 -0.868 1
1 265 . 13 1 1 A 27 27 ILE CB C 27 37.362 37.887 -0.525 1
1 269 . 13 1 1 A 27 27 ILE N N 27 118.724 120.314 -1.590 1
1 270 . 13 1 1 A 28 28 VAL H H 28 7.247 8.174 -0.927 1
1 271 . 13 1 1 A 28 28 VAL HA H 28 3.569 3.495 0.074 1
1 279 . 13 1 1 A 28 28 VAL C C 28 179.175 178.012 1.163 1
1 280 . 13 1 1 A 28 28 VAL CA C 28 66.301 66.184 0.117 1
1 281 . 13 1 1 A 28 28 VAL CB C 28 32.097 31.417 0.680 1
1 284 . 13 1 1 A 28 28 VAL N N 28 118.810 120.404 -1.594 1
1 285 . 13 1 1 A 29 29 HIS H H 29 7.552 7.889 -0.337 1
1 286 . 13 1 1 A 29 29 HIS HA H 29 4.109 4.151 -0.042 1
1 291 . 13 1 1 A 29 29 HIS C C 29 175.916 177.200 -1.284 1
1 292 . 13 1 1 A 29 29 HIS CA C 29 59.370 60.068 -0.698 1
1 293 . 13 1 1 A 29 29 HIS CB C 29 28.596 29.328 -0.732 1
1 296 . 13 1 1 A 29 29 HIS N N 29 120.366 119.745 0.621 1
1 297 . 13 1 1 A 30 30 GLN H H 30 8.437 8.622 -0.185 1
1 298 . 13 1 1 A 30 30 GLN HA H 30 3.714 4.062 -0.348 1
1 305 . 13 1 1 A 30 30 GLN C C 30 177.902 179.514 -1.612 1
1 306 . 13 1 1 A 30 30 GLN CA C 30 59.344 58.757 0.587 1
1 307 . 13 1 1 A 30 30 GLN CB C 30 28.168 28.311 -0.143 1
1 309 . 13 1 1 A 30 30 GLN N N 30 115.477 117.917 -2.440 1
1 311 . 13 1 1 A 31 31 GLY H H 31 7.466 7.767 -0.301 1
1 312 . 13 1 1 A 31 31 GLY HA2 H 31 3.969 3.576 0.393 1
1 313 . 13 1 1 A 31 31 GLY HA3 H 31 3.850 3.597 0.253 1
1 314 . 13 1 1 A 31 31 GLY C C 31 175.915 176.112 -0.197 1
1 315 . 13 1 1 A 31 31 GLY CA C 31 46.630 47.074 -0.444 1
1 316 . 13 1 1 A 31 31 GLY N N 31 105.808 109.154 -3.346 1
1 317 . 13 1 1 A 32 32 ILE H H 32 7.806 8.111 -0.305 1
1 318 . 13 1 1 A 32 32 ILE HA H 32 4.000 3.769 0.231 1
1 328 . 13 1 1 A 32 32 ILE C C 32 177.427 176.857 0.570 1
1 329 . 13 1 1 A 32 32 ILE CA C 32 62.775 64.300 -1.525 1
1 330 . 13 1 1 A 32 32 ILE CB C 32 37.641 37.350 0.291 1
1 334 . 13 1 1 A 32 32 ILE N N 32 117.910 119.569 -1.659 1
1 335 . 13 1 1 A 33 33 HIS H H 33 7.263 7.596 -0.333 1
1 336 . 13 1 1 A 33 33 HIS HA H 33 4.807 4.678 0.129 1
1 341 . 13 1 1 A 33 33 HIS C C 33 175.667 174.076 1.591 1
1 342 . 13 1 1 A 33 33 HIS CA C 33 55.199 55.055 0.144 1
1 343 . 13 1 1 A 33 33 HIS CB C 33 28.669 28.394 0.275 1
1 346 . 13 1 1 A 33 33 HIS N N 33 118.200 119.390 -1.190 1
1 347 . 13 1 1 A 34 34 THR H H 34 7.742 7.481 0.261 1
1 348 . 13 1 1 A 34 34 THR HA H 34 4.299 5.058 -0.759 1
1 353 . 13 1 1 A 34 34 THR C C 34 175.347 173.827 1.520 1
1 354 . 13 1 1 A 34 34 THR CA C 34 62.279 60.282 1.997 1
1 355 . 13 1 1 A 34 34 THR CB C 34 69.771 70.744 -0.973 1
1 357 . 13 1 1 A 34 34 THR N N 34 111.663 109.952 1.711 1
1 358 . 13 1 1 A 35 35 GLY H H 35 8.208 8.312 -0.104 1
1 359 . 13 1 1 A 35 35 GLY HA2 H 35 3.956 4.023 -0.067 1
1 360 . 13 1 1 A 35 35 GLY HA3 H 35 3.956 4.028 -0.072 1
1 361 . 13 1 1 A 35 35 GLY C C 35 174.200 173.428 0.772 1
1 362 . 13 1 1 A 35 35 GLY CA C 35 45.464 45.730 -0.266 1
1 363 . 13 1 1 A 35 35 GLY N N 35 110.990 112.657 -1.667 1
1 364 . 13 1 1 A 36 36 VAL H H 36 7.948 8.248 -0.300 1
1 365 . 13 1 1 A 36 36 VAL HA H 36 4.124 4.574 -0.450 1
1 373 . 13 1 1 A 36 36 VAL C C 36 176.269 175.175 1.094 1
1 374 . 13 1 1 A 36 36 VAL CA C 36 62.268 61.521 0.747 1
1 375 . 13 1 1 A 36 36 VAL CB C 36 32.701 33.798 -1.097 1
1 378 . 13 1 1 A 36 36 VAL N N 36 119.178 123.770 -4.592 1
1 379 . 13 1 1 A 37 37 SER H H 37 8.363 8.817 -0.454 1
1 380 . 13 1 1 A 37 37 SER HA H 37 4.451 5.082 -0.631 1
1 383 . 13 1 1 A 37 37 SER C C 37 174.469 175.194 -0.725 1
1 384 . 13 1 1 A 37 37 SER CA C 37 58.264 57.248 1.016 1
1 385 . 13 1 1 A 37 37 SER CB C 37 64.029 65.612 -1.583 1
1 386 . 13 1 1 A 37 37 SER N N 37 119.506 123.944 -4.438 1
1 387 . 13 1 1 A 38 38 GLY H H 38 8.206 8.515 -0.309 1
1 388 . 13 1 1 A 38 38 GLY HA2 H 38 4.113 4.084 0.029 1
1 389 . 13 1 1 A 38 38 GLY HA3 H 38 4.011 4.097 -0.086 1
1 390 . 13 1 1 A 38 38 GLY C C 38 171.689 174.794 -3.105 1
1 391 . 13 1 1 A 38 38 GLY CA C 38 44.602 44.328 0.274 1
1 392 . 13 1 1 A 38 38 GLY N N 38 110.830 109.649 1.181 1
1 393 . 13 1 1 A 39 39 PRO HA H 39 4.416 4.487 -0.071 1
1 400 . 13 1 1 A 39 39 PRO C C 39 177.347 176.287 1.060 1
1 401 . 13 1 1 A 39 39 PRO CA C 39 63.184 64.238 -1.054 1
1 402 . 13 1 1 A 39 39 PRO CB C 39 32.171 31.842 0.329 1
1 405 . 13 1 1 A 40 40 SER H H 40 8.503 7.984 0.519 1
1 406 . 13 1 1 A 40 40 SER HA H 40 4.455 4.611 -0.156 1
1 409 . 13 1 1 A 40 40 SER C C 40 174.649 174.107 0.542 1
1 410 . 13 1 1 A 40 40 SER CA C 40 58.366 59.724 -1.358 1
1 411 . 13 1 1 A 40 40 SER CB C 40 63.806 64.331 -0.525 1
1 412 . 13 1 1 A 40 40 SER N N 40 116.420 115.990 0.430 1
1 413 . 13 1 1 A 41 41 SER H H 41 8.301 8.332 -0.031 1
1 414 . 13 1 1 A 41 41 SER HA H 41 4.452 5.138 -0.686 1
1 417 . 13 1 1 A 41 41 SER C C 41 173.899 174.697 -0.798 1
1 418 . 13 1 1 A 41 41 SER CA C 41 58.385 57.663 0.722 1
1 419 . 13 1 1 A 41 41 SER CB C 41 64.120 63.960 0.160 1
1 420 . 13 1 1 A 41 41 SER N N 41 117.874 120.520 -2.646 1
1 1 . 14 1 1 A 6 6 SER HA H 6 4.423 4.889 -0.466 1
1 4 . 14 1 1 A 6 6 SER C C 6 174.984 173.005 1.979 1
1 5 . 14 1 1 A 6 6 SER CA C 6 58.619 57.008 1.611 1
1 6 . 14 1 1 A 6 6 SER CB C 6 63.809 65.855 -2.046 1
1 7 . 14 1 1 A 7 7 GLY H H 7 8.330 8.263 0.067 1
1 8 . 14 1 1 A 7 7 GLY HA2 H 7 3.853 4.046 -0.193 1
1 9 . 14 1 1 A 7 7 GLY HA3 H 7 3.853 4.048 -0.195 1
1 10 . 14 1 1 A 7 7 GLY C C 7 173.978 173.863 0.115 1
1 11 . 14 1 1 A 7 7 GLY CA C 7 45.124 45.329 -0.205 1
1 12 . 14 1 1 A 7 7 GLY N N 7 110.444 107.532 2.912 1
1 13 . 14 1 1 A 8 8 GLU H H 8 8.136 8.009 0.127 1
1 14 . 14 1 1 A 8 8 GLU HA H 8 4.084 4.402 -0.318 1
1 19 . 14 1 1 A 8 8 GLU C C 8 176.363 175.848 0.515 1
1 20 . 14 1 1 A 8 8 GLU CA C 8 56.807 56.408 0.399 1
1 21 . 14 1 1 A 8 8 GLU CB C 8 30.323 29.942 0.381 1
1 23 . 14 1 1 A 8 8 GLU N N 8 120.206 122.925 -2.719 1
1 24 . 14 1 1 A 9 9 LYS H H 9 8.190 8.871 -0.681 1
1 25 . 14 1 1 A 9 9 LYS HA H 9 4.401 4.608 -0.207 1
1 34 . 14 1 1 A 9 9 LYS C C 9 173.724 176.464 -2.740 1
1 35 . 14 1 1 A 9 9 LYS CA C 9 53.773 53.560 0.213 1
1 36 . 14 1 1 A 9 9 LYS CB C 9 33.324 32.133 1.191 1
1 40 . 14 1 1 A 9 9 LYS N N 9 121.893 122.534 -0.641 1
1 41 . 14 1 1 A 10 10 PRO HA H 10 4.176 4.283 -0.107 1
1 48 . 14 1 1 A 10 10 PRO C C 10 176.542 175.914 0.628 1
1 49 . 14 1 1 A 10 10 PRO CA C 10 63.392 64.990 -1.598 1
1 50 . 14 1 1 A 10 10 PRO CB C 10 32.297 31.610 0.687 1
1 53 . 14 1 1 A 11 11 TYR H H 11 7.766 7.696 0.070 1
1 54 . 14 1 1 A 11 11 TYR HA H 11 4.523 4.711 -0.188 1
1 61 . 14 1 1 A 11 11 TYR C C 11 174.276 176.313 -2.037 1
1 62 . 14 1 1 A 11 11 TYR CA C 11 58.052 58.477 -0.425 1
1 63 . 14 1 1 A 11 11 TYR CB C 11 38.185 39.999 -1.814 1
1 68 . 14 1 1 A 11 11 TYR N N 11 118.946 118.211 0.735 1
1 69 . 14 1 1 A 12 12 VAL H H 12 8.434 8.789 -0.355 1
1 70 . 14 1 1 A 12 12 VAL HA H 12 4.510 4.634 -0.124 1
1 78 . 14 1 1 A 12 12 VAL C C 12 175.589 175.034 0.555 1
1 79 . 14 1 1 A 12 12 VAL CA C 12 61.266 61.372 -0.106 1
1 80 . 14 1 1 A 12 12 VAL CB C 12 34.474 35.173 -0.699 1
1 83 . 14 1 1 A 12 12 VAL N N 12 125.129 122.558 2.571 1
1 84 . 14 1 1 A 13 13 CYS H H 13 9.288 9.349 -0.061 1
1 85 . 14 1 1 A 13 13 CYS HA H 13 4.486 4.598 -0.112 1
1 88 . 14 1 1 A 13 13 CYS C C 13 177.453 174.618 2.835 1
1 89 . 14 1 1 A 13 13 CYS CA C 13 59.913 60.100 -0.187 1
1 90 . 14 1 1 A 13 13 CYS CB C 13 29.670 29.000 0.670 1
1 91 . 14 1 1 A 13 13 CYS N N 13 129.949 127.307 2.642 1
1 92 . 14 1 1 A 14 14 SER H H 14 9.359 8.951 0.408 1
1 93 . 14 1 1 A 14 14 SER HA H 14 4.194 4.512 -0.318 1
1 96 . 14 1 1 A 14 14 SER C C 14 174.334 176.232 -1.898 1
1 97 . 14 1 1 A 14 14 SER CA C 14 61.015 59.687 1.328 1
1 98 . 14 1 1 A 14 14 SER CB C 14 63.031 64.564 -1.533 1
1 99 . 14 1 1 A 14 14 SER N N 14 128.692 119.806 8.886 1
1 100 . 14 1 1 A 15 15 ASP H H 15 8.616 7.849 0.767 1
1 101 . 14 1 1 A 15 15 ASP HA H 15 4.495 4.199 0.296 1
1 104 . 14 1 1 A 15 15 ASP C C 15 176.945 177.893 -0.948 1
1 105 . 14 1 1 A 15 15 ASP CA C 15 56.927 57.351 -0.424 1
1 106 . 14 1 1 A 15 15 ASP CB C 15 41.300 40.051 1.249 1
1 107 . 14 1 1 A 15 15 ASP N N 15 122.842 122.235 0.607 1
1 108 . 14 1 1 A 16 16 CYS H H 16 7.880 7.457 0.423 1
1 109 . 14 1 1 A 16 16 CYS HA H 16 5.095 4.604 0.491 1
1 112 . 14 1 1 A 16 16 CYS C C 16 176.300 175.325 0.975 1
1 113 . 14 1 1 A 16 16 CYS CA C 16 58.641 59.580 -0.939 1
1 114 . 14 1 1 A 16 16 CYS CB C 16 32.470 29.730 2.740 1
1 115 . 14 1 1 A 16 16 CYS N N 16 114.753 113.712 1.041 1
1 116 . 14 1 1 A 17 17 GLY H H 17 8.180 8.308 -0.128 1
1 117 . 14 1 1 A 17 17 GLY HA2 H 17 3.657 4.057 -0.400 1
1 118 . 14 1 1 A 17 17 GLY HA3 H 17 4.150 4.080 0.070 1
1 119 . 14 1 1 A 17 17 GLY C C 17 173.556 174.435 -0.879 1
1 120 . 14 1 1 A 17 17 GLY CA C 17 46.062 45.232 0.830 1
1 121 . 14 1 1 A 17 17 GLY N N 17 113.552 110.377 3.175 1
1 122 . 14 1 1 A 18 18 LYS H H 18 7.992 7.603 0.389 1
1 123 . 14 1 1 A 18 18 LYS HA H 18 3.843 4.251 -0.408 1
1 132 . 14 1 1 A 18 18 LYS C C 18 173.383 175.836 -2.453 1
1 133 . 14 1 1 A 18 18 LYS CA C 18 58.362 55.634 2.728 1
1 134 . 14 1 1 A 18 18 LYS CB C 18 33.336 33.103 0.233 1
1 138 . 14 1 1 A 18 18 LYS N N 18 123.588 122.038 1.550 1
1 139 . 14 1 1 A 19 19 ALA H H 19 7.646 8.219 -0.573 1
1 140 . 14 1 1 A 19 19 ALA HA H 19 5.124 4.615 0.509 1
1 144 . 14 1 1 A 19 19 ALA C C 19 176.333 176.526 -0.193 1
1 145 . 14 1 1 A 19 19 ALA CA C 19 50.076 51.723 -1.647 1
1 146 . 14 1 1 A 19 19 ALA CB C 19 22.792 20.137 2.655 1
1 147 . 14 1 1 A 19 19 ALA N N 19 124.673 128.729 -4.056 1
1 148 . 14 1 1 A 20 20 PHE H H 20 8.857 9.030 -0.173 1
1 149 . 14 1 1 A 20 20 PHE HA H 20 4.653 4.850 -0.197 1
1 157 . 14 1 1 A 20 20 PHE C C 20 175.110 175.620 -0.510 1
1 158 . 14 1 1 A 20 20 PHE CA C 20 57.317 56.690 0.627 1
1 159 . 14 1 1 A 20 20 PHE CB C 20 43.327 42.790 0.537 1
1 165 . 14 1 1 A 20 20 PHE N N 20 117.387 117.470 -0.083 1
1 166 . 14 1 1 A 21 21 THR H H 21 8.729 8.609 0.120 1
1 167 . 14 1 1 A 21 21 THR HA H 21 4.005 4.145 -0.140 1
1 172 . 14 1 1 A 21 21 THR C C 21 173.500 174.852 -1.352 1
1 173 . 14 1 1 A 21 21 THR CA C 21 66.328 65.661 0.667 1
1 174 . 14 1 1 A 21 21 THR CB C 21 69.605 68.322 1.283 1
1 176 . 14 1 1 A 21 21 THR N N 21 118.703 116.952 1.751 1
1 177 . 14 1 1 A 22 22 PHE H H 22 7.767 7.827 -0.060 1
1 178 . 14 1 1 A 22 22 PHE HA H 22 5.093 4.858 0.235 1
1 186 . 14 1 1 A 22 22 PHE C C 22 176.290 175.534 0.756 1
1 187 . 14 1 1 A 22 22 PHE CA C 22 55.753 57.083 -1.330 1
1 188 . 14 1 1 A 22 22 PHE CB C 22 42.016 40.908 1.108 1
1 194 . 14 1 1 A 22 22 PHE N N 22 114.810 117.921 -3.111 1
1 195 . 14 1 1 A 23 23 LYS H H 23 8.496 8.500 -0.004 1
1 196 . 14 1 1 A 23 23 LYS HA H 23 2.922 3.134 -0.212 1
1 205 . 14 1 1 A 23 23 LYS C C 23 178.191 177.807 0.384 1
1 206 . 14 1 1 A 23 23 LYS CA C 23 59.444 59.648 -0.204 1
1 207 . 14 1 1 A 23 23 LYS CB C 23 31.569 31.807 -0.238 1
1 211 . 14 1 1 A 23 23 LYS N N 23 127.716 123.779 3.937 1
1 212 . 14 1 1 A 24 24 SER H H 24 8.519 8.312 0.207 1
1 213 . 14 1 1 A 24 24 SER HA H 24 3.838 4.125 -0.287 1
1 216 . 14 1 1 A 24 24 SER C C 24 176.778 177.036 -0.258 1
1 217 . 14 1 1 A 24 24 SER CA C 24 60.910 61.351 -0.441 1
1 218 . 14 1 1 A 24 24 SER CB C 24 61.337 62.598 -1.261 1
1 219 . 14 1 1 A 24 24 SER N N 24 111.904 115.071 -3.167 1
1 220 . 14 1 1 A 25 25 GLN H H 25 6.829 8.216 -1.387 1
1 221 . 14 1 1 A 25 25 GLN HA H 25 3.894 3.968 -0.074 1
1 228 . 14 1 1 A 25 25 GLN C C 25 178.758 178.225 0.533 1
1 229 . 14 1 1 A 25 25 GLN CA C 25 57.499 58.933 -1.434 1
1 230 . 14 1 1 A 25 25 GLN CB C 25 28.839 28.072 0.767 1
1 232 . 14 1 1 A 25 25 GLN N N 25 119.416 121.353 -1.937 1
1 234 . 14 1 1 A 26 26 LEU H H 26 6.900 7.569 -0.669 1
1 235 . 14 1 1 A 26 26 LEU HA H 26 3.218 2.944 0.274 1
1 245 . 14 1 1 A 26 26 LEU C C 26 177.322 178.479 -1.157 1
1 246 . 14 1 1 A 26 26 LEU CA C 26 57.675 57.713 -0.038 1
1 247 . 14 1 1 A 26 26 LEU CB C 26 40.250 41.592 -1.342 1
1 251 . 14 1 1 A 26 26 LEU N N 26 122.040 121.018 1.022 1
1 252 . 14 1 1 A 27 27 ILE H H 27 7.967 8.111 -0.144 1
1 253 . 14 1 1 A 27 27 ILE HA H 27 3.683 3.578 0.105 1
1 263 . 14 1 1 A 27 27 ILE C C 27 179.261 178.483 0.778 1
1 264 . 14 1 1 A 27 27 ILE CA C 27 64.506 65.386 -0.880 1
1 265 . 14 1 1 A 27 27 ILE CB C 27 37.362 37.755 -0.393 1
1 269 . 14 1 1 A 27 27 ILE N N 27 118.724 120.131 -1.407 1
1 270 . 14 1 1 A 28 28 VAL H H 28 7.247 7.879 -0.632 1
1 271 . 14 1 1 A 28 28 VAL HA H 28 3.569 3.492 0.077 1
1 279 . 14 1 1 A 28 28 VAL C C 28 179.175 178.356 0.819 1
1 280 . 14 1 1 A 28 28 VAL CA C 28 66.301 66.271 0.030 1
1 281 . 14 1 1 A 28 28 VAL CB C 28 32.097 31.560 0.537 1
1 284 . 14 1 1 A 28 28 VAL N N 28 118.810 120.207 -1.397 1
1 285 . 14 1 1 A 29 29 HIS H H 29 7.552 7.947 -0.395 1
1 286 . 14 1 1 A 29 29 HIS HA H 29 4.109 3.955 0.154 1
1 291 . 14 1 1 A 29 29 HIS C C 29 175.916 176.660 -0.744 1
1 292 . 14 1 1 A 29 29 HIS CA C 29 59.370 59.877 -0.507 1
1 293 . 14 1 1 A 29 29 HIS CB C 29 28.596 29.801 -1.205 1
1 296 . 14 1 1 A 29 29 HIS N N 29 120.366 119.626 0.740 1
1 297 . 14 1 1 A 30 30 GLN H H 30 8.437 8.618 -0.181 1
1 298 . 14 1 1 A 30 30 GLN HA H 30 3.714 3.937 -0.223 1
1 305 . 14 1 1 A 30 30 GLN C C 30 177.902 179.381 -1.479 1
1 306 . 14 1 1 A 30 30 GLN CA C 30 59.344 58.617 0.727 1
1 307 . 14 1 1 A 30 30 GLN CB C 30 28.168 28.202 -0.034 1
1 309 . 14 1 1 A 30 30 GLN N N 30 115.477 116.957 -1.480 1
1 311 . 14 1 1 A 31 31 GLY H H 31 7.466 8.251 -0.785 1
1 312 . 14 1 1 A 31 31 GLY HA2 H 31 3.969 3.618 0.351 1
1 313 . 14 1 1 A 31 31 GLY HA3 H 31 3.850 3.645 0.205 1
1 314 . 14 1 1 A 31 31 GLY C C 31 175.915 175.906 0.009 1
1 315 . 14 1 1 A 31 31 GLY CA C 31 46.630 47.292 -0.662 1
1 316 . 14 1 1 A 31 31 GLY N N 31 105.808 108.569 -2.761 1
1 317 . 14 1 1 A 32 32 ILE H H 32 7.806 8.158 -0.352 1
1 318 . 14 1 1 A 32 32 ILE HA H 32 4.000 3.796 0.204 1
1 328 . 14 1 1 A 32 32 ILE C C 32 177.427 176.826 0.601 1
1 329 . 14 1 1 A 32 32 ILE CA C 32 62.775 63.831 -1.056 1
1 330 . 14 1 1 A 32 32 ILE CB C 32 37.641 37.343 0.298 1
1 334 . 14 1 1 A 32 32 ILE N N 32 117.910 119.697 -1.787 1
1 335 . 14 1 1 A 33 33 HIS H H 33 7.263 7.358 -0.095 1
1 336 . 14 1 1 A 33 33 HIS HA H 33 4.807 4.669 0.138 1
1 341 . 14 1 1 A 33 33 HIS C C 33 175.667 173.955 1.712 1
1 342 . 14 1 1 A 33 33 HIS CA C 33 55.199 54.446 0.753 1
1 343 . 14 1 1 A 33 33 HIS CB C 33 28.669 27.625 1.044 1
1 346 . 14 1 1 A 33 33 HIS N N 33 118.200 119.141 -0.941 1
1 347 . 14 1 1 A 34 34 THR H H 34 7.742 7.992 -0.250 1
1 348 . 14 1 1 A 34 34 THR HA H 34 4.299 5.044 -0.745 1
1 353 . 14 1 1 A 34 34 THR C C 34 175.347 174.085 1.262 1
1 354 . 14 1 1 A 34 34 THR CA C 34 62.279 60.317 1.962 1
1 355 . 14 1 1 A 34 34 THR CB C 34 69.771 70.616 -0.845 1
1 357 . 14 1 1 A 34 34 THR N N 34 111.663 111.115 0.548 1
1 358 . 14 1 1 A 35 35 GLY H H 35 8.208 8.799 -0.591 1
1 359 . 14 1 1 A 35 35 GLY HA2 H 35 3.956 3.928 0.028 1
1 360 . 14 1 1 A 35 35 GLY HA3 H 35 3.956 3.932 0.024 1
1 361 . 14 1 1 A 35 35 GLY C C 35 174.200 173.346 0.854 1
1 362 . 14 1 1 A 35 35 GLY CA C 35 45.464 44.908 0.556 1
1 363 . 14 1 1 A 35 35 GLY N N 35 110.990 113.495 -2.505 1
1 364 . 14 1 1 A 36 36 VAL H H 36 7.948 8.177 -0.229 1
1 365 . 14 1 1 A 36 36 VAL HA H 36 4.124 4.654 -0.530 1
1 373 . 14 1 1 A 36 36 VAL C C 36 176.269 174.334 1.935 1
1 374 . 14 1 1 A 36 36 VAL CA C 36 62.268 61.920 0.348 1
1 375 . 14 1 1 A 36 36 VAL CB C 36 32.701 33.694 -0.993 1
1 378 . 14 1 1 A 36 36 VAL N N 36 119.178 121.762 -2.584 1
1 379 . 14 1 1 A 37 37 SER H H 37 8.363 9.064 -0.701 1
1 380 . 14 1 1 A 37 37 SER HA H 37 4.451 4.773 -0.322 1
1 383 . 14 1 1 A 37 37 SER C C 37 174.469 173.540 0.929 1
1 384 . 14 1 1 A 37 37 SER CA C 37 58.264 57.150 1.114 1
1 385 . 14 1 1 A 37 37 SER CB C 37 64.029 62.940 1.089 1
1 386 . 14 1 1 A 37 37 SER N N 37 119.506 123.825 -4.319 1
1 387 . 14 1 1 A 38 38 GLY H H 38 8.206 8.351 -0.145 1
1 388 . 14 1 1 A 38 38 GLY HA2 H 38 4.113 4.255 -0.142 1
1 389 . 14 1 1 A 38 38 GLY HA3 H 38 4.011 4.258 -0.247 1
1 390 . 14 1 1 A 38 38 GLY C C 38 171.689 173.252 -1.563 1
1 391 . 14 1 1 A 38 38 GLY CA C 38 44.602 45.639 -1.037 1
1 392 . 14 1 1 A 38 38 GLY N N 38 110.830 114.237 -3.407 1
1 393 . 14 1 1 A 39 39 PRO HA H 39 4.416 4.591 -0.175 1
1 400 . 14 1 1 A 39 39 PRO C C 39 177.347 176.433 0.914 1
1 401 . 14 1 1 A 39 39 PRO CA C 39 63.184 63.796 -0.612 1
1 402 . 14 1 1 A 39 39 PRO CB C 39 32.171 31.596 0.575 1
1 405 . 14 1 1 A 40 40 SER H H 40 8.503 7.962 0.541 1
1 406 . 14 1 1 A 40 40 SER HA H 40 4.455 4.589 -0.134 1
1 409 . 14 1 1 A 40 40 SER C C 40 174.649 173.844 0.805 1
1 410 . 14 1 1 A 40 40 SER CA C 40 58.366 59.285 -0.919 1
1 411 . 14 1 1 A 40 40 SER CB C 40 63.806 64.080 -0.274 1
1 412 . 14 1 1 A 40 40 SER N N 40 116.420 116.152 0.268 1
1 413 . 14 1 1 A 41 41 SER H H 41 8.301 8.564 -0.263 1
1 414 . 14 1 1 A 41 41 SER HA H 41 4.452 5.112 -0.660 1
1 417 . 14 1 1 A 41 41 SER C C 41 173.899 174.351 -0.452 1
1 418 . 14 1 1 A 41 41 SER CA C 41 58.385 56.944 1.441 1
1 419 . 14 1 1 A 41 41 SER CB C 41 64.120 64.538 -0.418 1
1 420 . 14 1 1 A 41 41 SER N N 41 117.874 116.254 1.620 1
1 1 . 15 1 1 A 6 6 SER HA H 6 4.423 4.688 -0.265 1
1 4 . 15 1 1 A 6 6 SER C C 6 174.984 176.173 -1.189 1
1 5 . 15 1 1 A 6 6 SER CA C 6 58.619 59.150 -0.531 1
1 6 . 15 1 1 A 6 6 SER CB C 6 63.809 64.473 -0.664 1
1 7 . 15 1 1 A 7 7 GLY H H 7 8.330 7.940 0.390 1
1 8 . 15 1 1 A 7 7 GLY HA2 H 7 3.853 3.847 0.006 1
1 9 . 15 1 1 A 7 7 GLY HA3 H 7 3.853 3.855 -0.002 1
1 10 . 15 1 1 A 7 7 GLY C C 7 173.978 174.203 -0.225 1
1 11 . 15 1 1 A 7 7 GLY CA C 7 45.124 46.200 -1.076 1
1 12 . 15 1 1 A 7 7 GLY N N 7 110.444 109.352 1.092 1
1 13 . 15 1 1 A 8 8 GLU H H 8 8.136 7.878 0.258 1
1 14 . 15 1 1 A 8 8 GLU HA H 8 4.084 3.820 0.264 1
1 19 . 15 1 1 A 8 8 GLU C C 8 176.363 175.736 0.627 1
1 20 . 15 1 1 A 8 8 GLU CA C 8 56.807 57.466 -0.659 1
1 21 . 15 1 1 A 8 8 GLU CB C 8 30.323 27.514 2.809 1
1 23 . 15 1 1 A 8 8 GLU N N 8 120.206 115.055 5.151 1
1 24 . 15 1 1 A 9 9 LYS H H 9 8.190 7.823 0.367 1
1 25 . 15 1 1 A 9 9 LYS HA H 9 4.401 4.303 0.098 1
1 34 . 15 1 1 A 9 9 LYS C C 9 173.724 176.912 -3.188 1
1 35 . 15 1 1 A 9 9 LYS CA C 9 53.773 55.223 -1.450 1
1 36 . 15 1 1 A 9 9 LYS CB C 9 33.324 32.195 1.129 1
1 40 . 15 1 1 A 9 9 LYS N N 9 121.893 119.541 2.352 1
1 41 . 15 1 1 A 10 10 PRO HA H 10 4.176 4.324 -0.148 1
1 48 . 15 1 1 A 10 10 PRO C C 10 176.542 175.911 0.631 1
1 49 . 15 1 1 A 10 10 PRO CA C 10 63.392 65.226 -1.834 1
1 50 . 15 1 1 A 10 10 PRO CB C 10 32.297 31.547 0.750 1
1 53 . 15 1 1 A 11 11 TYR H H 11 7.766 7.232 0.534 1
1 54 . 15 1 1 A 11 11 TYR HA H 11 4.523 4.708 -0.185 1
1 61 . 15 1 1 A 11 11 TYR C C 11 174.276 176.386 -2.110 1
1 62 . 15 1 1 A 11 11 TYR CA C 11 58.052 58.518 -0.466 1
1 63 . 15 1 1 A 11 11 TYR CB C 11 38.185 39.983 -1.798 1
1 68 . 15 1 1 A 11 11 TYR N N 11 118.946 118.208 0.738 1
1 69 . 15 1 1 A 12 12 VAL H H 12 8.434 8.776 -0.342 1
1 70 . 15 1 1 A 12 12 VAL HA H 12 4.510 4.725 -0.215 1
1 78 . 15 1 1 A 12 12 VAL C C 12 175.589 175.589 0.000 1
1 79 . 15 1 1 A 12 12 VAL CA C 12 61.266 61.286 -0.020 1
1 80 . 15 1 1 A 12 12 VAL CB C 12 34.474 34.809 -0.335 1
1 83 . 15 1 1 A 12 12 VAL N N 12 125.129 122.566 2.563 1
1 84 . 15 1 1 A 13 13 CYS H H 13 9.288 9.260 0.028 1
1 85 . 15 1 1 A 13 13 CYS HA H 13 4.486 4.426 0.060 1
1 88 . 15 1 1 A 13 13 CYS C C 13 177.453 176.302 1.151 1
1 89 . 15 1 1 A 13 13 CYS CA C 13 59.913 60.366 -0.453 1
1 90 . 15 1 1 A 13 13 CYS CB C 13 29.670 29.377 0.293 1
1 91 . 15 1 1 A 13 13 CYS N N 13 129.949 127.540 2.409 1
1 92 . 15 1 1 A 14 14 SER H H 14 9.359 8.994 0.365 1
1 93 . 15 1 1 A 14 14 SER HA H 14 4.194 4.652 -0.458 1
1 96 . 15 1 1 A 14 14 SER C C 14 174.334 174.741 -0.407 1
1 97 . 15 1 1 A 14 14 SER CA C 14 61.015 58.173 2.842 1
1 98 . 15 1 1 A 14 14 SER CB C 14 63.031 63.129 -0.098 1
1 99 . 15 1 1 A 14 14 SER N N 14 128.692 122.803 5.889 1
1 100 . 15 1 1 A 15 15 ASP H H 15 8.616 8.101 0.515 1
1 101 . 15 1 1 A 15 15 ASP HA H 15 4.495 4.884 -0.389 1
1 104 . 15 1 1 A 15 15 ASP C C 15 176.945 176.949 -0.004 1
1 105 . 15 1 1 A 15 15 ASP CA C 15 56.927 55.598 1.329 1
1 106 . 15 1 1 A 15 15 ASP CB C 15 41.300 43.127 -1.827 1
1 107 . 15 1 1 A 15 15 ASP N N 15 122.842 120.525 2.317 1
1 108 . 15 1 1 A 16 16 CYS H H 16 7.880 7.600 0.280 1
1 109 . 15 1 1 A 16 16 CYS HA H 16 5.095 4.656 0.439 1
1 112 . 15 1 1 A 16 16 CYS C C 16 176.300 175.449 0.851 1
1 113 . 15 1 1 A 16 16 CYS CA C 16 58.641 59.709 -1.068 1
1 114 . 15 1 1 A 16 16 CYS CB C 16 32.470 29.925 2.545 1
1 115 . 15 1 1 A 16 16 CYS N N 16 114.753 115.907 -1.154 1
1 116 . 15 1 1 A 17 17 GLY H H 17 8.180 8.107 0.073 1
1 117 . 15 1 1 A 17 17 GLY HA2 H 17 3.657 4.080 -0.423 1
1 118 . 15 1 1 A 17 17 GLY HA3 H 17 4.150 4.090 0.060 1
1 119 . 15 1 1 A 17 17 GLY C C 17 173.556 174.202 -0.646 1
1 120 . 15 1 1 A 17 17 GLY CA C 17 46.062 45.135 0.927 1
1 121 . 15 1 1 A 17 17 GLY N N 17 113.552 110.083 3.469 1
1 122 . 15 1 1 A 18 18 LYS H H 18 7.992 7.919 0.073 1
1 123 . 15 1 1 A 18 18 LYS HA H 18 3.843 4.501 -0.658 1
1 132 . 15 1 1 A 18 18 LYS C C 18 173.383 175.531 -2.148 1
1 133 . 15 1 1 A 18 18 LYS CA C 18 58.362 54.843 3.519 1
1 134 . 15 1 1 A 18 18 LYS CB C 18 33.336 33.741 -0.405 1
1 138 . 15 1 1 A 18 18 LYS N N 18 123.588 121.709 1.879 1
1 139 . 15 1 1 A 19 19 ALA H H 19 7.646 8.483 -0.837 1
1 140 . 15 1 1 A 19 19 ALA HA H 19 5.124 5.272 -0.148 1
1 144 . 15 1 1 A 19 19 ALA C C 19 176.333 176.643 -0.310 1
1 145 . 15 1 1 A 19 19 ALA CA C 19 50.076 51.399 -1.323 1
1 146 . 15 1 1 A 19 19 ALA CB C 19 22.792 20.590 2.202 1
1 147 . 15 1 1 A 19 19 ALA N N 19 124.673 128.980 -4.307 1
1 148 . 15 1 1 A 20 20 PHE H H 20 8.857 9.141 -0.284 1
1 149 . 15 1 1 A 20 20 PHE HA H 20 4.653 4.846 -0.193 1
1 157 . 15 1 1 A 20 20 PHE C C 20 175.110 175.736 -0.626 1
1 158 . 15 1 1 A 20 20 PHE CA C 20 57.317 56.831 0.486 1
1 159 . 15 1 1 A 20 20 PHE CB C 20 43.327 42.742 0.585 1
1 165 . 15 1 1 A 20 20 PHE N N 20 117.387 117.688 -0.301 1
1 166 . 15 1 1 A 21 21 THR H H 21 8.729 8.576 0.153 1
1 167 . 15 1 1 A 21 21 THR HA H 21 4.005 4.099 -0.094 1
1 172 . 15 1 1 A 21 21 THR C C 21 173.500 174.724 -1.224 1
1 173 . 15 1 1 A 21 21 THR CA C 21 66.328 66.304 0.024 1
1 174 . 15 1 1 A 21 21 THR CB C 21 69.605 68.263 1.342 1
1 176 . 15 1 1 A 21 21 THR N N 21 118.703 116.702 2.001 1
1 177 . 15 1 1 A 22 22 PHE H H 22 7.767 7.887 -0.120 1
1 178 . 15 1 1 A 22 22 PHE HA H 22 5.093 4.821 0.272 1
1 186 . 15 1 1 A 22 22 PHE C C 22 176.290 175.534 0.756 1
1 187 . 15 1 1 A 22 22 PHE CA C 22 55.753 57.445 -1.692 1
1 188 . 15 1 1 A 22 22 PHE CB C 22 42.016 41.168 0.848 1
1 194 . 15 1 1 A 22 22 PHE N N 22 114.810 117.640 -2.830 1
1 195 . 15 1 1 A 23 23 LYS H H 23 8.496 8.679 -0.183 1
1 196 . 15 1 1 A 23 23 LYS HA H 23 2.922 3.026 -0.104 1
1 205 . 15 1 1 A 23 23 LYS C C 23 178.191 177.987 0.204 1
1 206 . 15 1 1 A 23 23 LYS CA C 23 59.444 59.033 0.411 1
1 207 . 15 1 1 A 23 23 LYS CB C 23 31.569 31.895 -0.326 1
1 211 . 15 1 1 A 23 23 LYS N N 23 127.716 123.264 4.452 1
1 212 . 15 1 1 A 24 24 SER H H 24 8.519 8.286 0.233 1
1 213 . 15 1 1 A 24 24 SER HA H 24 3.838 4.059 -0.221 1
1 216 . 15 1 1 A 24 24 SER C C 24 176.778 177.192 -0.414 1
1 217 . 15 1 1 A 24 24 SER CA C 24 60.910 61.198 -0.288 1
1 218 . 15 1 1 A 24 24 SER CB C 24 61.337 62.294 -0.957 1
1 219 . 15 1 1 A 24 24 SER N N 24 111.904 115.682 -3.778 1
1 220 . 15 1 1 A 25 25 GLN H H 25 6.829 7.582 -0.753 1
1 221 . 15 1 1 A 25 25 GLN HA H 25 3.894 3.979 -0.085 1
1 228 . 15 1 1 A 25 25 GLN C C 25 178.758 178.035 0.723 1
1 229 . 15 1 1 A 25 25 GLN CA C 25 57.499 58.682 -1.183 1
1 230 . 15 1 1 A 25 25 GLN CB C 25 28.839 28.316 0.523 1
1 232 . 15 1 1 A 25 25 GLN N N 25 119.416 122.280 -2.864 1
1 234 . 15 1 1 A 26 26 LEU H H 26 6.900 7.594 -0.694 1
1 235 . 15 1 1 A 26 26 LEU HA H 26 3.218 3.068 0.150 1
1 245 . 15 1 1 A 26 26 LEU C C 26 177.322 178.672 -1.350 1
1 246 . 15 1 1 A 26 26 LEU CA C 26 57.675 57.825 -0.150 1
1 247 . 15 1 1 A 26 26 LEU CB C 26 40.250 41.578 -1.328 1
1 251 . 15 1 1 A 26 26 LEU N N 26 122.040 121.040 1.000 1
1 252 . 15 1 1 A 27 27 ILE H H 27 7.967 7.948 0.019 1
1 253 . 15 1 1 A 27 27 ILE HA H 27 3.683 3.568 0.115 1
1 263 . 15 1 1 A 27 27 ILE C C 27 179.261 178.522 0.739 1
1 264 . 15 1 1 A 27 27 ILE CA C 27 64.506 65.326 -0.820 1
1 265 . 15 1 1 A 27 27 ILE CB C 27 37.362 37.787 -0.425 1
1 269 . 15 1 1 A 27 27 ILE N N 27 118.724 120.112 -1.388 1
1 270 . 15 1 1 A 28 28 VAL H H 28 7.247 7.721 -0.474 1
1 271 . 15 1 1 A 28 28 VAL HA H 28 3.569 3.478 0.091 1
1 279 . 15 1 1 A 28 28 VAL C C 28 179.175 178.434 0.741 1
1 280 . 15 1 1 A 28 28 VAL CA C 28 66.301 66.352 -0.051 1
1 281 . 15 1 1 A 28 28 VAL CB C 28 32.097 31.565 0.532 1
1 284 . 15 1 1 A 28 28 VAL N N 28 118.810 120.370 -1.560 1
1 285 . 15 1 1 A 29 29 HIS H H 29 7.552 7.921 -0.369 1
1 286 . 15 1 1 A 29 29 HIS HA H 29 4.109 3.950 0.159 1
1 291 . 15 1 1 A 29 29 HIS C C 29 175.916 176.427 -0.511 1
1 292 . 15 1 1 A 29 29 HIS CA C 29 59.370 60.049 -0.679 1
1 293 . 15 1 1 A 29 29 HIS CB C 29 28.596 29.929 -1.333 1
1 296 . 15 1 1 A 29 29 HIS N N 29 120.366 119.122 1.244 1
1 297 . 15 1 1 A 30 30 GLN H H 30 8.437 8.667 -0.230 1
1 298 . 15 1 1 A 30 30 GLN HA H 30 3.714 4.095 -0.381 1
1 305 . 15 1 1 A 30 30 GLN C C 30 177.902 179.342 -1.440 1
1 306 . 15 1 1 A 30 30 GLN CA C 30 59.344 58.858 0.486 1
1 307 . 15 1 1 A 30 30 GLN CB C 30 28.168 28.295 -0.127 1
1 309 . 15 1 1 A 30 30 GLN N N 30 115.477 117.020 -1.543 1
1 311 . 15 1 1 A 31 31 GLY H H 31 7.466 8.090 -0.624 1
1 312 . 15 1 1 A 31 31 GLY HA2 H 31 3.969 3.657 0.312 1
1 313 . 15 1 1 A 31 31 GLY HA3 H 31 3.850 3.687 0.163 1
1 314 . 15 1 1 A 31 31 GLY C C 31 175.915 175.925 -0.010 1
1 315 . 15 1 1 A 31 31 GLY CA C 31 46.630 47.306 -0.676 1
1 316 . 15 1 1 A 31 31 GLY N N 31 105.808 108.739 -2.931 1
1 317 . 15 1 1 A 32 32 ILE H H 32 7.806 8.250 -0.444 1
1 318 . 15 1 1 A 32 32 ILE HA H 32 4.000 3.801 0.199 1
1 328 . 15 1 1 A 32 32 ILE C C 32 177.427 176.825 0.602 1
1 329 . 15 1 1 A 32 32 ILE CA C 32 62.775 63.794 -1.019 1
1 330 . 15 1 1 A 32 32 ILE CB C 32 37.641 37.263 0.378 1
1 334 . 15 1 1 A 32 32 ILE N N 32 117.910 119.754 -1.844 1
1 335 . 15 1 1 A 33 33 HIS H H 33 7.263 7.636 -0.373 1
1 336 . 15 1 1 A 33 33 HIS HA H 33 4.807 4.709 0.098 1
1 341 . 15 1 1 A 33 33 HIS C C 33 175.667 175.431 0.236 1
1 342 . 15 1 1 A 33 33 HIS CA C 33 55.199 54.411 0.788 1
1 343 . 15 1 1 A 33 33 HIS CB C 33 28.669 27.627 1.042 1
1 346 . 15 1 1 A 33 33 HIS N N 33 118.200 119.530 -1.330 1
1 347 . 15 1 1 A 34 34 THR H H 34 7.742 7.678 0.064 1
1 348 . 15 1 1 A 34 34 THR HA H 34 4.299 4.527 -0.228 1
1 353 . 15 1 1 A 34 34 THR C C 34 175.347 175.093 0.254 1
1 354 . 15 1 1 A 34 34 THR CA C 34 62.279 62.201 0.078 1
1 355 . 15 1 1 A 34 34 THR CB C 34 69.771 70.175 -0.404 1
1 357 . 15 1 1 A 34 34 THR N N 34 111.663 110.953 0.710 1
1 358 . 15 1 1 A 35 35 GLY H H 35 8.208 7.927 0.281 1
1 359 . 15 1 1 A 35 35 GLY HA2 H 35 3.956 4.088 -0.132 1
1 360 . 15 1 1 A 35 35 GLY HA3 H 35 3.956 4.096 -0.140 1
1 361 . 15 1 1 A 35 35 GLY C C 35 174.200 173.706 0.494 1
1 362 . 15 1 1 A 35 35 GLY CA C 35 45.464 44.444 1.020 1
1 363 . 15 1 1 A 35 35 GLY N N 35 110.990 110.050 0.940 1
1 364 . 15 1 1 A 36 36 VAL H H 36 7.948 8.570 -0.622 1
1 365 . 15 1 1 A 36 36 VAL HA H 36 4.124 3.621 0.503 1
1 373 . 15 1 1 A 36 36 VAL C C 36 176.269 175.135 1.134 1
1 374 . 15 1 1 A 36 36 VAL CA C 36 62.268 62.801 -0.533 1
1 375 . 15 1 1 A 36 36 VAL CB C 36 32.701 30.016 2.685 1
1 378 . 15 1 1 A 36 36 VAL N N 36 119.178 117.641 1.537 1
1 379 . 15 1 1 A 37 37 SER H H 37 8.363 7.880 0.483 1
1 380 . 15 1 1 A 37 37 SER HA H 37 4.451 4.300 0.151 1
1 383 . 15 1 1 A 37 37 SER C C 37 174.469 174.136 0.333 1
1 384 . 15 1 1 A 37 37 SER CA C 37 58.264 60.308 -2.044 1
1 385 . 15 1 1 A 37 37 SER CB C 37 64.029 63.643 0.386 1
1 386 . 15 1 1 A 37 37 SER N N 37 119.506 116.823 2.683 1
1 387 . 15 1 1 A 38 38 GLY H H 38 8.206 8.382 -0.176 1
1 388 . 15 1 1 A 38 38 GLY HA2 H 38 4.113 4.049 0.064 1
1 389 . 15 1 1 A 38 38 GLY HA3 H 38 4.011 4.053 -0.042 1
1 390 . 15 1 1 A 38 38 GLY C C 38 171.689 173.825 -2.136 1
1 391 . 15 1 1 A 38 38 GLY CA C 38 44.602 45.406 -0.804 1
1 392 . 15 1 1 A 38 38 GLY N N 38 110.830 113.702 -2.872 1
1 393 . 15 1 1 A 39 39 PRO HA H 39 4.416 4.650 -0.234 1
1 400 . 15 1 1 A 39 39 PRO C C 39 177.347 176.740 0.607 1
1 401 . 15 1 1 A 39 39 PRO CA C 39 63.184 62.403 0.781 1
1 402 . 15 1 1 A 39 39 PRO CB C 39 32.171 30.154 2.017 1
1 405 . 15 1 1 A 40 40 SER H H 40 8.503 8.095 0.408 1
1 406 . 15 1 1 A 40 40 SER HA H 40 4.455 4.576 -0.121 1
1 409 . 15 1 1 A 40 40 SER C C 40 174.649 174.327 0.322 1
1 410 . 15 1 1 A 40 40 SER CA C 40 58.366 58.223 0.143 1
1 411 . 15 1 1 A 40 40 SER CB C 40 63.806 62.933 0.873 1
1 412 . 15 1 1 A 40 40 SER N N 40 116.420 118.346 -1.926 1
1 413 . 15 1 1 A 41 41 SER H H 41 8.301 8.897 -0.596 1
1 414 . 15 1 1 A 41 41 SER HA H 41 4.452 4.353 0.099 1
1 417 . 15 1 1 A 41 41 SER C C 41 173.899 175.112 -1.213 1
1 418 . 15 1 1 A 41 41 SER CA C 41 58.385 62.268 -3.883 1
1 419 . 15 1 1 A 41 41 SER CB C 41 64.120 63.591 0.529 1
1 420 . 15 1 1 A 41 41 SER N N 41 117.874 121.763 -3.889 1
1 1 . 16 1 1 A 6 6 SER HA H 6 4.423 4.276 0.147 1
1 4 . 16 1 1 A 6 6 SER C C 6 174.984 174.663 0.321 1
1 5 . 16 1 1 A 6 6 SER CA C 6 58.619 59.773 -1.154 1
1 6 . 16 1 1 A 6 6 SER CB C 6 63.809 63.912 -0.103 1
1 7 . 16 1 1 A 7 7 GLY H H 7 8.330 7.699 0.631 1
1 8 . 16 1 1 A 7 7 GLY HA2 H 7 3.853 3.975 -0.122 1
1 9 . 16 1 1 A 7 7 GLY HA3 H 7 3.853 3.981 -0.128 1
1 10 . 16 1 1 A 7 7 GLY C C 7 173.978 173.049 0.929 1
1 11 . 16 1 1 A 7 7 GLY CA C 7 45.124 44.898 0.226 1
1 12 . 16 1 1 A 7 7 GLY N N 7 110.444 107.800 2.644 1
1 13 . 16 1 1 A 8 8 GLU H H 8 8.136 8.559 -0.423 1
1 14 . 16 1 1 A 8 8 GLU HA H 8 4.084 4.683 -0.599 1
1 19 . 16 1 1 A 8 8 GLU C C 8 176.363 175.015 1.348 1
1 20 . 16 1 1 A 8 8 GLU CA C 8 56.807 55.044 1.763 1
1 21 . 16 1 1 A 8 8 GLU CB C 8 30.323 30.599 -0.276 1
1 23 . 16 1 1 A 8 8 GLU N N 8 120.206 120.199 0.007 1
1 24 . 16 1 1 A 9 9 LYS H H 9 8.190 8.472 -0.282 1
1 25 . 16 1 1 A 9 9 LYS HA H 9 4.401 4.698 -0.297 1
1 34 . 16 1 1 A 9 9 LYS C C 9 173.724 176.322 -2.598 1
1 35 . 16 1 1 A 9 9 LYS CA C 9 53.773 53.207 0.566 1
1 36 . 16 1 1 A 9 9 LYS CB C 9 33.324 32.554 0.770 1
1 40 . 16 1 1 A 9 9 LYS N N 9 121.893 126.967 -5.074 1
1 41 . 16 1 1 A 10 10 PRO HA H 10 4.176 4.312 -0.136 1
1 48 . 16 1 1 A 10 10 PRO C C 10 176.542 176.015 0.527 1
1 49 . 16 1 1 A 10 10 PRO CA C 10 63.392 64.970 -1.578 1
1 50 . 16 1 1 A 10 10 PRO CB C 10 32.297 31.597 0.700 1
1 53 . 16 1 1 A 11 11 TYR H H 11 7.766 7.237 0.529 1
1 54 . 16 1 1 A 11 11 TYR HA H 11 4.523 4.740 -0.217 1
1 61 . 16 1 1 A 11 11 TYR C C 11 174.276 176.455 -2.179 1
1 62 . 16 1 1 A 11 11 TYR CA C 11 58.052 58.542 -0.490 1
1 63 . 16 1 1 A 11 11 TYR CB C 11 38.185 39.850 -1.665 1
1 68 . 16 1 1 A 11 11 TYR N N 11 118.946 118.223 0.723 1
1 69 . 16 1 1 A 12 12 VAL H H 12 8.434 8.782 -0.348 1
1 70 . 16 1 1 A 12 12 VAL HA H 12 4.510 4.795 -0.285 1
1 78 . 16 1 1 A 12 12 VAL C C 12 175.589 175.476 0.113 1
1 79 . 16 1 1 A 12 12 VAL CA C 12 61.266 61.354 -0.088 1
1 80 . 16 1 1 A 12 12 VAL CB C 12 34.474 35.175 -0.701 1
1 83 . 16 1 1 A 12 12 VAL N N 12 125.129 122.669 2.460 1
1 84 . 16 1 1 A 13 13 CYS H H 13 9.288 9.410 -0.122 1
1 85 . 16 1 1 A 13 13 CYS HA H 13 4.486 4.489 -0.003 1
1 88 . 16 1 1 A 13 13 CYS C C 13 177.453 176.021 1.432 1
1 89 . 16 1 1 A 13 13 CYS CA C 13 59.913 60.451 -0.538 1
1 90 . 16 1 1 A 13 13 CYS CB C 13 29.670 29.482 0.188 1
1 91 . 16 1 1 A 13 13 CYS N N 13 129.949 127.370 2.579 1
1 92 . 16 1 1 A 14 14 SER H H 14 9.359 8.912 0.447 1
1 93 . 16 1 1 A 14 14 SER HA H 14 4.194 4.685 -0.491 1
1 96 . 16 1 1 A 14 14 SER C C 14 174.334 174.598 -0.264 1
1 97 . 16 1 1 A 14 14 SER CA C 14 61.015 58.546 2.469 1
1 98 . 16 1 1 A 14 14 SER CB C 14 63.031 63.367 -0.336 1
1 99 . 16 1 1 A 14 14 SER N N 14 128.692 123.296 5.396 1
1 100 . 16 1 1 A 15 15 ASP H H 15 8.616 8.079 0.537 1
1 101 . 16 1 1 A 15 15 ASP HA H 15 4.495 4.821 -0.326 1
1 104 . 16 1 1 A 15 15 ASP C C 15 176.945 177.085 -0.140 1
1 105 . 16 1 1 A 15 15 ASP CA C 15 56.927 55.636 1.291 1
1 106 . 16 1 1 A 15 15 ASP CB C 15 41.300 42.350 -1.050 1
1 107 . 16 1 1 A 15 15 ASP N N 15 122.842 121.334 1.508 1
1 108 . 16 1 1 A 16 16 CYS H H 16 7.880 8.247 -0.367 1
1 109 . 16 1 1 A 16 16 CYS HA H 16 5.095 4.676 0.419 1
1 112 . 16 1 1 A 16 16 CYS C C 16 176.300 175.556 0.744 1
1 113 . 16 1 1 A 16 16 CYS CA C 16 58.641 59.746 -1.105 1
1 114 . 16 1 1 A 16 16 CYS CB C 16 32.470 29.981 2.489 1
1 115 . 16 1 1 A 16 16 CYS N N 16 114.753 115.551 -0.798 1
1 116 . 16 1 1 A 17 17 GLY H H 17 8.180 8.137 0.043 1
1 117 . 16 1 1 A 17 17 GLY HA2 H 17 3.657 4.106 -0.449 1
1 118 . 16 1 1 A 17 17 GLY HA3 H 17 4.150 4.125 0.025 1
1 119 . 16 1 1 A 17 17 GLY C C 17 173.556 174.379 -0.823 1
1 120 . 16 1 1 A 17 17 GLY CA C 17 46.062 45.051 1.011 1
1 121 . 16 1 1 A 17 17 GLY N N 17 113.552 110.093 3.459 1
1 122 . 16 1 1 A 18 18 LYS H H 18 7.992 7.553 0.439 1
1 123 . 16 1 1 A 18 18 LYS HA H 18 3.843 4.383 -0.540 1
1 132 . 16 1 1 A 18 18 LYS C C 18 173.383 175.909 -2.526 1
1 133 . 16 1 1 A 18 18 LYS CA C 18 58.362 55.420 2.942 1
1 134 . 16 1 1 A 18 18 LYS CB C 18 33.336 33.183 0.153 1
1 138 . 16 1 1 A 18 18 LYS N N 18 123.588 122.149 1.439 1
1 139 . 16 1 1 A 19 19 ALA H H 19 7.646 8.475 -0.829 1
1 140 . 16 1 1 A 19 19 ALA HA H 19 5.124 5.525 -0.401 1
1 144 . 16 1 1 A 19 19 ALA C C 19 176.333 176.449 -0.116 1
1 145 . 16 1 1 A 19 19 ALA CA C 19 50.076 51.147 -1.071 1
1 146 . 16 1 1 A 19 19 ALA CB C 19 22.792 20.855 1.937 1
1 147 . 16 1 1 A 19 19 ALA N N 19 124.673 128.943 -4.270 1
1 148 . 16 1 1 A 20 20 PHE H H 20 8.857 9.207 -0.350 1
1 149 . 16 1 1 A 20 20 PHE HA H 20 4.653 4.809 -0.156 1
1 157 . 16 1 1 A 20 20 PHE C C 20 175.110 175.812 -0.702 1
1 158 . 16 1 1 A 20 20 PHE CA C 20 57.317 56.894 0.423 1
1 159 . 16 1 1 A 20 20 PHE CB C 20 43.327 42.794 0.533 1
1 165 . 16 1 1 A 20 20 PHE N N 20 117.387 117.784 -0.397 1
1 166 . 16 1 1 A 21 21 THR H H 21 8.729 8.591 0.138 1
1 167 . 16 1 1 A 21 21 THR HA H 21 4.005 4.268 -0.263 1
1 172 . 16 1 1 A 21 21 THR C C 21 173.500 174.999 -1.499 1
1 173 . 16 1 1 A 21 21 THR CA C 21 66.328 65.195 1.133 1
1 174 . 16 1 1 A 21 21 THR CB C 21 69.605 68.963 0.642 1
1 176 . 16 1 1 A 21 21 THR N N 21 118.703 116.354 2.349 1
1 177 . 16 1 1 A 22 22 PHE H H 22 7.767 8.000 -0.233 1
1 178 . 16 1 1 A 22 22 PHE HA H 22 5.093 4.823 0.270 1
1 186 . 16 1 1 A 22 22 PHE C C 22 176.290 175.687 0.603 1
1 187 . 16 1 1 A 22 22 PHE CA C 22 55.753 57.474 -1.721 1
1 188 . 16 1 1 A 22 22 PHE CB C 22 42.016 41.013 1.003 1
1 194 . 16 1 1 A 22 22 PHE N N 22 114.810 117.987 -3.177 1
1 195 . 16 1 1 A 23 23 LYS H H 23 8.496 8.646 -0.150 1
1 196 . 16 1 1 A 23 23 LYS HA H 23 2.922 2.755 0.167 1
1 205 . 16 1 1 A 23 23 LYS C C 23 178.191 178.204 -0.013 1
1 206 . 16 1 1 A 23 23 LYS CA C 23 59.444 59.409 0.035 1
1 207 . 16 1 1 A 23 23 LYS CB C 23 31.569 31.976 -0.407 1
1 211 . 16 1 1 A 23 23 LYS N N 23 127.716 123.272 4.444 1
1 212 . 16 1 1 A 24 24 SER H H 24 8.519 8.114 0.405 1
1 213 . 16 1 1 A 24 24 SER HA H 24 3.838 3.983 -0.145 1
1 216 . 16 1 1 A 24 24 SER C C 24 176.778 176.496 0.282 1
1 217 . 16 1 1 A 24 24 SER CA C 24 60.910 61.842 -0.932 1
1 218 . 16 1 1 A 24 24 SER CB C 24 61.337 62.899 -1.562 1
1 219 . 16 1 1 A 24 24 SER N N 24 111.904 116.512 -4.608 1
1 220 . 16 1 1 A 25 25 GLN H H 25 6.829 8.052 -1.223 1
1 221 . 16 1 1 A 25 25 GLN HA H 25 3.894 3.916 -0.022 1
1 228 . 16 1 1 A 25 25 GLN C C 25 178.758 178.196 0.562 1
1 229 . 16 1 1 A 25 25 GLN CA C 25 57.499 59.078 -1.579 1
1 230 . 16 1 1 A 25 25 GLN CB C 25 28.839 28.183 0.656 1
1 232 . 16 1 1 A 25 25 GLN N N 25 119.416 121.282 -1.866 1
1 234 . 16 1 1 A 26 26 LEU H H 26 6.900 7.398 -0.498 1
1 235 . 16 1 1 A 26 26 LEU HA H 26 3.218 2.874 0.344 1
1 245 . 16 1 1 A 26 26 LEU C C 26 177.322 178.517 -1.195 1
1 246 . 16 1 1 A 26 26 LEU CA C 26 57.675 57.721 -0.046 1
1 247 . 16 1 1 A 26 26 LEU CB C 26 40.250 41.535 -1.285 1
1 251 . 16 1 1 A 26 26 LEU N N 26 122.040 120.958 1.082 1
1 252 . 16 1 1 A 27 27 ILE H H 27 7.967 7.811 0.156 1
1 253 . 16 1 1 A 27 27 ILE HA H 27 3.683 3.840 -0.157 1
1 263 . 16 1 1 A 27 27 ILE C C 27 179.261 178.510 0.751 1
1 264 . 16 1 1 A 27 27 ILE CA C 27 64.506 65.353 -0.847 1
1 265 . 16 1 1 A 27 27 ILE CB C 27 37.362 37.688 -0.326 1
1 269 . 16 1 1 A 27 27 ILE N N 27 118.724 119.955 -1.231 1
1 270 . 16 1 1 A 28 28 VAL H H 28 7.247 8.067 -0.820 1
1 271 . 16 1 1 A 28 28 VAL HA H 28 3.569 3.469 0.100 1
1 279 . 16 1 1 A 28 28 VAL C C 28 179.175 178.440 0.735 1
1 280 . 16 1 1 A 28 28 VAL CA C 28 66.301 66.335 -0.034 1
1 281 . 16 1 1 A 28 28 VAL CB C 28 32.097 31.500 0.597 1
1 284 . 16 1 1 A 28 28 VAL N N 28 118.810 120.297 -1.487 1
1 285 . 16 1 1 A 29 29 HIS H H 29 7.552 8.055 -0.503 1
1 286 . 16 1 1 A 29 29 HIS HA H 29 4.109 3.971 0.138 1
1 291 . 16 1 1 A 29 29 HIS C C 29 175.916 176.414 -0.498 1
1 292 . 16 1 1 A 29 29 HIS CA C 29 59.370 59.880 -0.510 1
1 293 . 16 1 1 A 29 29 HIS CB C 29 28.596 29.838 -1.242 1
1 296 . 16 1 1 A 29 29 HIS N N 29 120.366 119.239 1.127 1
1 297 . 16 1 1 A 30 30 GLN H H 30 8.437 8.570 -0.133 1
1 298 . 16 1 1 A 30 30 GLN HA H 30 3.714 3.818 -0.104 1
1 305 . 16 1 1 A 30 30 GLN C C 30 177.902 179.226 -1.324 1
1 306 . 16 1 1 A 30 30 GLN CA C 30 59.344 58.689 0.655 1
1 307 . 16 1 1 A 30 30 GLN CB C 30 28.168 28.235 -0.067 1
1 309 . 16 1 1 A 30 30 GLN N N 30 115.477 116.830 -1.353 1
1 311 . 16 1 1 A 31 31 GLY H H 31 7.466 8.343 -0.877 1
1 312 . 16 1 1 A 31 31 GLY HA2 H 31 3.969 3.639 0.330 1
1 313 . 16 1 1 A 31 31 GLY HA3 H 31 3.850 3.664 0.186 1
1 314 . 16 1 1 A 31 31 GLY C C 31 175.915 175.908 0.007 1
1 315 . 16 1 1 A 31 31 GLY CA C 31 46.630 47.277 -0.647 1
1 316 . 16 1 1 A 31 31 GLY N N 31 105.808 108.683 -2.875 1
1 317 . 16 1 1 A 32 32 ILE H H 32 7.806 8.212 -0.406 1
1 318 . 16 1 1 A 32 32 ILE HA H 32 4.000 3.746 0.254 1
1 328 . 16 1 1 A 32 32 ILE C C 32 177.427 177.529 -0.102 1
1 329 . 16 1 1 A 32 32 ILE CA C 32 62.775 64.263 -1.488 1
1 330 . 16 1 1 A 32 32 ILE CB C 32 37.641 37.330 0.311 1
1 334 . 16 1 1 A 32 32 ILE N N 32 117.910 120.163 -2.253 1
1 335 . 16 1 1 A 33 33 HIS H H 33 7.263 7.311 -0.048 1
1 336 . 16 1 1 A 33 33 HIS HA H 33 4.807 4.371 0.436 1
1 341 . 16 1 1 A 33 33 HIS C C 33 175.667 175.663 0.004 1
1 342 . 16 1 1 A 33 33 HIS CA C 33 55.199 58.950 -3.751 1
1 343 . 16 1 1 A 33 33 HIS CB C 33 28.669 31.166 -2.497 1
1 346 . 16 1 1 A 33 33 HIS N N 33 118.200 119.479 -1.279 1
1 347 . 16 1 1 A 34 34 THR H H 34 7.742 7.598 0.144 1
1 348 . 16 1 1 A 34 34 THR HA H 34 4.299 4.361 -0.062 1
1 353 . 16 1 1 A 34 34 THR C C 34 175.347 174.127 1.220 1
1 354 . 16 1 1 A 34 34 THR CA C 34 62.279 61.850 0.429 1
1 355 . 16 1 1 A 34 34 THR CB C 34 69.771 69.559 0.212 1
1 357 . 16 1 1 A 34 34 THR N N 34 111.663 109.862 1.801 1
1 358 . 16 1 1 A 35 35 GLY H H 35 8.208 8.494 -0.286 1
1 359 . 16 1 1 A 35 35 GLY HA2 H 35 3.956 4.088 -0.132 1
1 360 . 16 1 1 A 35 35 GLY HA3 H 35 3.956 4.093 -0.137 1
1 361 . 16 1 1 A 35 35 GLY C C 35 174.200 173.755 0.445 1
1 362 . 16 1 1 A 35 35 GLY CA C 35 45.464 44.019 1.445 1
1 363 . 16 1 1 A 35 35 GLY N N 35 110.990 109.770 1.220 1
1 364 . 16 1 1 A 36 36 VAL H H 36 7.948 8.438 -0.490 1
1 365 . 16 1 1 A 36 36 VAL HA H 36 4.124 4.412 -0.288 1
1 373 . 16 1 1 A 36 36 VAL C C 36 176.269 175.721 0.548 1
1 374 . 16 1 1 A 36 36 VAL CA C 36 62.268 60.705 1.563 1
1 375 . 16 1 1 A 36 36 VAL CB C 36 32.701 31.455 1.246 1
1 378 . 16 1 1 A 36 36 VAL N N 36 119.178 117.769 1.409 1
1 379 . 16 1 1 A 37 37 SER H H 37 8.363 7.686 0.677 1
1 380 . 16 1 1 A 37 37 SER HA H 37 4.451 4.414 0.037 1
1 383 . 16 1 1 A 37 37 SER C C 37 174.469 174.566 -0.097 1
1 384 . 16 1 1 A 37 37 SER CA C 37 58.264 57.608 0.656 1
1 385 . 16 1 1 A 37 37 SER CB C 37 64.029 62.037 1.992 1
1 386 . 16 1 1 A 37 37 SER N N 37 119.506 118.614 0.892 1
1 387 . 16 1 1 A 38 38 GLY H H 38 8.206 8.787 -0.581 1
1 388 . 16 1 1 A 38 38 GLY HA2 H 38 4.113 3.975 0.138 1
1 389 . 16 1 1 A 38 38 GLY HA3 H 38 4.011 3.975 0.036 1
1 390 . 16 1 1 A 38 38 GLY C C 38 171.689 173.399 -1.710 1
1 391 . 16 1 1 A 38 38 GLY CA C 38 44.602 44.730 -0.128 1
1 392 . 16 1 1 A 38 38 GLY N N 38 110.830 117.052 -6.222 1
1 393 . 16 1 1 A 39 39 PRO HA H 39 4.416 4.640 -0.224 1
1 400 . 16 1 1 A 39 39 PRO C C 39 177.347 175.902 1.445 1
1 401 . 16 1 1 A 39 39 PRO CA C 39 63.184 62.761 0.423 1
1 402 . 16 1 1 A 39 39 PRO CB C 39 32.171 32.163 0.008 1
1 405 . 16 1 1 A 40 40 SER H H 40 8.503 8.509 -0.006 1
1 406 . 16 1 1 A 40 40 SER HA H 40 4.455 4.978 -0.523 1
1 409 . 16 1 1 A 40 40 SER C C 40 174.649 173.298 1.351 1
1 410 . 16 1 1 A 40 40 SER CA C 40 58.366 57.632 0.734 1
1 411 . 16 1 1 A 40 40 SER CB C 40 63.806 64.764 -0.958 1
1 412 . 16 1 1 A 40 40 SER N N 40 116.420 117.753 -1.333 1
1 413 . 16 1 1 A 41 41 SER H H 41 8.301 8.564 -0.263 1
1 414 . 16 1 1 A 41 41 SER HA H 41 4.452 5.006 -0.554 1
1 417 . 16 1 1 A 41 41 SER C C 41 173.899 174.507 -0.608 1
1 418 . 16 1 1 A 41 41 SER CA C 41 58.385 56.972 1.413 1
1 419 . 16 1 1 A 41 41 SER CB C 41 64.120 66.042 -1.922 1
1 420 . 16 1 1 A 41 41 SER N N 41 117.874 117.877 -0.003 1
1 1 . 17 1 1 A 6 6 SER HA H 6 4.423 4.281 0.142 1
1 4 . 17 1 1 A 6 6 SER C C 6 174.984 174.149 0.835 1
1 5 . 17 1 1 A 6 6 SER CA C 6 58.619 58.204 0.415 1
1 6 . 17 1 1 A 6 6 SER CB C 6 63.809 63.160 0.649 1
1 7 . 17 1 1 A 7 7 GLY H H 7 8.330 8.538 -0.208 1
1 8 . 17 1 1 A 7 7 GLY HA2 H 7 3.853 4.155 -0.302 1
1 9 . 17 1 1 A 7 7 GLY HA3 H 7 3.853 4.171 -0.318 1
1 10 . 17 1 1 A 7 7 GLY C C 7 173.978 172.953 1.025 1
1 11 . 17 1 1 A 7 7 GLY CA C 7 45.124 44.184 0.940 1
1 12 . 17 1 1 A 7 7 GLY N N 7 110.444 114.434 -3.990 1
1 13 . 17 1 1 A 8 8 GLU H H 8 8.136 8.394 -0.258 1
1 14 . 17 1 1 A 8 8 GLU HA H 8 4.084 4.554 -0.470 1
1 19 . 17 1 1 A 8 8 GLU C C 8 176.363 175.664 0.699 1
1 20 . 17 1 1 A 8 8 GLU CA C 8 56.807 55.540 1.267 1
1 21 . 17 1 1 A 8 8 GLU CB C 8 30.323 30.019 0.304 1
1 23 . 17 1 1 A 8 8 GLU N N 8 120.206 119.106 1.100 1
1 24 . 17 1 1 A 9 9 LYS H H 9 8.190 7.245 0.945 1
1 25 . 17 1 1 A 9 9 LYS HA H 9 4.401 4.521 -0.120 1
1 34 . 17 1 1 A 9 9 LYS C C 9 173.724 176.438 -2.714 1
1 35 . 17 1 1 A 9 9 LYS CA C 9 53.773 53.697 0.076 1
1 36 . 17 1 1 A 9 9 LYS CB C 9 33.324 32.006 1.318 1
1 40 . 17 1 1 A 9 9 LYS N N 9 121.893 120.743 1.150 1
1 41 . 17 1 1 A 10 10 PRO HA H 10 4.176 4.306 -0.130 1
1 48 . 17 1 1 A 10 10 PRO C C 10 176.542 175.982 0.560 1
1 49 . 17 1 1 A 10 10 PRO CA C 10 63.392 65.041 -1.649 1
1 50 . 17 1 1 A 10 10 PRO CB C 10 32.297 31.605 0.692 1
1 53 . 17 1 1 A 11 11 TYR H H 11 7.766 7.643 0.123 1
1 54 . 17 1 1 A 11 11 TYR HA H 11 4.523 4.758 -0.235 1
1 61 . 17 1 1 A 11 11 TYR C C 11 174.276 176.485 -2.209 1
1 62 . 17 1 1 A 11 11 TYR CA C 11 58.052 58.538 -0.486 1
1 63 . 17 1 1 A 11 11 TYR CB C 11 38.185 39.645 -1.460 1
1 68 . 17 1 1 A 11 11 TYR N N 11 118.946 118.222 0.724 1
1 69 . 17 1 1 A 12 12 VAL H H 12 8.434 8.830 -0.396 1
1 70 . 17 1 1 A 12 12 VAL HA H 12 4.510 5.017 -0.507 1
1 78 . 17 1 1 A 12 12 VAL C C 12 175.589 175.053 0.536 1
1 79 . 17 1 1 A 12 12 VAL CA C 12 61.266 61.233 0.033 1
1 80 . 17 1 1 A 12 12 VAL CB C 12 34.474 35.210 -0.736 1
1 83 . 17 1 1 A 12 12 VAL N N 12 125.129 122.760 2.369 1
1 84 . 17 1 1 A 13 13 CYS H H 13 9.288 8.814 0.474 1
1 85 . 17 1 1 A 13 13 CYS HA H 13 4.486 4.599 -0.113 1
1 88 . 17 1 1 A 13 13 CYS C C 13 177.453 174.770 2.683 1
1 89 . 17 1 1 A 13 13 CYS CA C 13 59.913 59.998 -0.085 1
1 90 . 17 1 1 A 13 13 CYS CB C 13 29.670 28.930 0.740 1
1 91 . 17 1 1 A 13 13 CYS N N 13 129.949 127.328 2.621 1
1 92 . 17 1 1 A 14 14 SER H H 14 9.359 9.039 0.320 1
1 93 . 17 1 1 A 14 14 SER HA H 14 4.194 4.482 -0.288 1
1 96 . 17 1 1 A 14 14 SER C C 14 174.334 176.186 -1.852 1
1 97 . 17 1 1 A 14 14 SER CA C 14 61.015 59.921 1.094 1
1 98 . 17 1 1 A 14 14 SER CB C 14 63.031 64.308 -1.277 1
1 99 . 17 1 1 A 14 14 SER N N 14 128.692 119.814 8.878 1
1 100 . 17 1 1 A 15 15 ASP H H 15 8.616 7.827 0.789 1
1 101 . 17 1 1 A 15 15 ASP HA H 15 4.495 4.190 0.305 1
1 104 . 17 1 1 A 15 15 ASP C C 15 176.945 177.794 -0.849 1
1 105 . 17 1 1 A 15 15 ASP CA C 15 56.927 57.127 -0.200 1
1 106 . 17 1 1 A 15 15 ASP CB C 15 41.300 39.996 1.304 1
1 107 . 17 1 1 A 15 15 ASP N N 15 122.842 122.154 0.688 1
1 108 . 17 1 1 A 16 16 CYS H H 16 7.880 7.392 0.488 1
1 109 . 17 1 1 A 16 16 CYS HA H 16 5.095 4.580 0.515 1
1 112 . 17 1 1 A 16 16 CYS C C 16 176.300 175.336 0.964 1
1 113 . 17 1 1 A 16 16 CYS CA C 16 58.641 59.849 -1.208 1
1 114 . 17 1 1 A 16 16 CYS CB C 16 32.470 29.521 2.949 1
1 115 . 17 1 1 A 16 16 CYS N N 16 114.753 113.636 1.117 1
1 116 . 17 1 1 A 17 17 GLY H H 17 8.180 8.292 -0.112 1
1 117 . 17 1 1 A 17 17 GLY HA2 H 17 3.657 4.048 -0.391 1
1 118 . 17 1 1 A 17 17 GLY HA3 H 17 4.150 4.068 0.082 1
1 119 . 17 1 1 A 17 17 GLY C C 17 173.556 174.622 -1.066 1
1 120 . 17 1 1 A 17 17 GLY CA C 17 46.062 45.335 0.727 1
1 121 . 17 1 1 A 17 17 GLY N N 17 113.552 110.423 3.129 1
1 122 . 17 1 1 A 18 18 LYS H H 18 7.992 7.432 0.560 1
1 123 . 17 1 1 A 18 18 LYS HA H 18 3.843 4.421 -0.578 1
1 132 . 17 1 1 A 18 18 LYS C C 18 173.383 175.247 -1.864 1
1 133 . 17 1 1 A 18 18 LYS CA C 18 58.362 55.870 2.492 1
1 134 . 17 1 1 A 18 18 LYS CB C 18 33.336 34.361 -1.025 1
1 138 . 17 1 1 A 18 18 LYS N N 18 123.588 119.885 3.703 1
1 139 . 17 1 1 A 19 19 ALA H H 19 7.646 7.817 -0.171 1
1 140 . 17 1 1 A 19 19 ALA HA H 19 5.124 5.428 -0.304 1
1 144 . 17 1 1 A 19 19 ALA C C 19 176.333 175.069 1.264 1
1 145 . 17 1 1 A 19 19 ALA CA C 19 50.076 50.078 -0.002 1
1 146 . 17 1 1 A 19 19 ALA CB C 19 22.792 22.923 -0.131 1
1 147 . 17 1 1 A 19 19 ALA N N 19 124.673 120.450 4.223 1
1 148 . 17 1 1 A 20 20 PHE H H 20 8.857 8.867 -0.010 1
1 149 . 17 1 1 A 20 20 PHE HA H 20 4.653 4.878 -0.225 1
1 157 . 17 1 1 A 20 20 PHE C C 20 175.110 175.615 -0.505 1
1 158 . 17 1 1 A 20 20 PHE CA C 20 57.317 56.753 0.564 1
1 159 . 17 1 1 A 20 20 PHE CB C 20 43.327 42.919 0.408 1
1 165 . 17 1 1 A 20 20 PHE N N 20 117.387 117.179 0.208 1
1 166 . 17 1 1 A 21 21 THR H H 21 8.729 8.685 0.044 1
1 167 . 17 1 1 A 21 21 THR HA H 21 4.005 4.269 -0.264 1
1 172 . 17 1 1 A 21 21 THR C C 21 173.500 174.927 -1.427 1
1 173 . 17 1 1 A 21 21 THR CA C 21 66.328 65.397 0.931 1
1 174 . 17 1 1 A 21 21 THR CB C 21 69.605 68.705 0.900 1
1 176 . 17 1 1 A 21 21 THR N N 21 118.703 116.713 1.990 1
1 177 . 17 1 1 A 22 22 PHE H H 22 7.767 7.774 -0.007 1
1 178 . 17 1 1 A 22 22 PHE HA H 22 5.093 4.779 0.314 1
1 186 . 17 1 1 A 22 22 PHE C C 22 176.290 176.220 0.070 1
1 187 . 17 1 1 A 22 22 PHE CA C 22 55.753 57.684 -1.931 1
1 188 . 17 1 1 A 22 22 PHE CB C 22 42.016 40.528 1.488 1
1 194 . 17 1 1 A 22 22 PHE N N 22 114.810 118.122 -3.312 1
1 195 . 17 1 1 A 23 23 LYS H H 23 8.496 8.840 -0.344 1
1 196 . 17 1 1 A 23 23 LYS HA H 23 2.922 2.650 0.272 1
1 205 . 17 1 1 A 23 23 LYS C C 23 178.191 177.512 0.679 1
1 206 . 17 1 1 A 23 23 LYS CA C 23 59.444 59.750 -0.306 1
1 207 . 17 1 1 A 23 23 LYS CB C 23 31.569 31.760 -0.191 1
1 211 . 17 1 1 A 23 23 LYS N N 23 127.716 124.154 3.562 1
1 212 . 17 1 1 A 24 24 SER H H 24 8.519 7.780 0.739 1
1 213 . 17 1 1 A 24 24 SER HA H 24 3.838 3.996 -0.158 1
1 216 . 17 1 1 A 24 24 SER C C 24 176.778 177.262 -0.484 1
1 217 . 17 1 1 A 24 24 SER CA C 24 60.910 61.480 -0.570 1
1 218 . 17 1 1 A 24 24 SER CB C 24 61.337 62.763 -1.426 1
1 219 . 17 1 1 A 24 24 SER N N 24 111.904 114.097 -2.193 1
1 220 . 17 1 1 A 25 25 GLN H H 25 6.829 8.024 -1.195 1
1 221 . 17 1 1 A 25 25 GLN HA H 25 3.894 3.931 -0.037 1
1 228 . 17 1 1 A 25 25 GLN C C 25 178.758 178.176 0.582 1
1 229 . 17 1 1 A 25 25 GLN CA C 25 57.499 59.085 -1.586 1
1 230 . 17 1 1 A 25 25 GLN CB C 25 28.839 28.239 0.600 1
1 232 . 17 1 1 A 25 25 GLN N N 25 119.416 121.617 -2.201 1
1 234 . 17 1 1 A 26 26 LEU H H 26 6.900 7.229 -0.329 1
1 235 . 17 1 1 A 26 26 LEU HA H 26 3.218 2.985 0.233 1
1 245 . 17 1 1 A 26 26 LEU C C 26 177.322 178.594 -1.272 1
1 246 . 17 1 1 A 26 26 LEU CA C 26 57.675 57.709 -0.034 1
1 247 . 17 1 1 A 26 26 LEU CB C 26 40.250 41.668 -1.418 1
1 251 . 17 1 1 A 26 26 LEU N N 26 122.040 121.090 0.950 1
1 252 . 17 1 1 A 27 27 ILE H H 27 7.967 7.867 0.100 1
1 253 . 17 1 1 A 27 27 ILE HA H 27 3.683 3.577 0.106 1
1 263 . 17 1 1 A 27 27 ILE C C 27 179.261 178.559 0.702 1
1 264 . 17 1 1 A 27 27 ILE CA C 27 64.506 65.310 -0.804 1
1 265 . 17 1 1 A 27 27 ILE CB C 27 37.362 37.748 -0.386 1
1 269 . 17 1 1 A 27 27 ILE N N 27 118.724 120.036 -1.312 1
1 270 . 17 1 1 A 28 28 VAL H H 28 7.247 8.102 -0.855 1
1 271 . 17 1 1 A 28 28 VAL HA H 28 3.569 3.534 0.035 1
1 279 . 17 1 1 A 28 28 VAL C C 28 179.175 178.200 0.975 1
1 280 . 17 1 1 A 28 28 VAL CA C 28 66.301 65.942 0.359 1
1 281 . 17 1 1 A 28 28 VAL CB C 28 32.097 31.642 0.455 1
1 284 . 17 1 1 A 28 28 VAL N N 28 118.810 120.270 -1.460 1
1 285 . 17 1 1 A 29 29 HIS H H 29 7.552 7.995 -0.443 1
1 286 . 17 1 1 A 29 29 HIS HA H 29 4.109 4.047 0.062 1
1 291 . 17 1 1 A 29 29 HIS C C 29 175.916 176.753 -0.837 1
1 292 . 17 1 1 A 29 29 HIS CA C 29 59.370 59.722 -0.352 1
1 293 . 17 1 1 A 29 29 HIS CB C 29 28.596 29.528 -0.932 1
1 296 . 17 1 1 A 29 29 HIS N N 29 120.366 119.647 0.719 1
1 297 . 17 1 1 A 30 30 GLN H H 30 8.437 8.693 -0.256 1
1 298 . 17 1 1 A 30 30 GLN HA H 30 3.714 3.969 -0.255 1
1 305 . 17 1 1 A 30 30 GLN C C 30 177.902 179.284 -1.382 1
1 306 . 17 1 1 A 30 30 GLN CA C 30 59.344 58.719 0.625 1
1 307 . 17 1 1 A 30 30 GLN CB C 30 28.168 28.236 -0.068 1
1 309 . 17 1 1 A 30 30 GLN N N 30 115.477 116.813 -1.336 1
1 311 . 17 1 1 A 31 31 GLY H H 31 7.466 8.378 -0.912 1
1 312 . 17 1 1 A 31 31 GLY HA2 H 31 3.969 3.676 0.293 1
1 313 . 17 1 1 A 31 31 GLY HA3 H 31 3.850 3.702 0.148 1
1 314 . 17 1 1 A 31 31 GLY C C 31 175.915 175.934 -0.019 1
1 315 . 17 1 1 A 31 31 GLY CA C 31 46.630 47.297 -0.667 1
1 316 . 17 1 1 A 31 31 GLY N N 31 105.808 108.831 -3.023 1
1 317 . 17 1 1 A 32 32 ILE H H 32 7.806 8.210 -0.404 1
1 318 . 17 1 1 A 32 32 ILE HA H 32 4.000 3.733 0.267 1
1 328 . 17 1 1 A 32 32 ILE C C 32 177.427 177.424 0.003 1
1 329 . 17 1 1 A 32 32 ILE CA C 32 62.775 64.261 -1.486 1
1 330 . 17 1 1 A 32 32 ILE CB C 32 37.641 37.278 0.363 1
1 334 . 17 1 1 A 32 32 ILE N N 32 117.910 120.138 -2.228 1
1 335 . 17 1 1 A 33 33 HIS H H 33 7.263 7.357 -0.094 1
1 336 . 17 1 1 A 33 33 HIS HA H 33 4.807 4.442 0.365 1
1 341 . 17 1 1 A 33 33 HIS C C 33 175.667 175.431 0.236 1
1 342 . 17 1 1 A 33 33 HIS CA C 33 55.199 58.799 -3.600 1
1 343 . 17 1 1 A 33 33 HIS CB C 33 28.669 31.358 -2.689 1
1 346 . 17 1 1 A 33 33 HIS N N 33 118.200 119.791 -1.591 1
1 347 . 17 1 1 A 34 34 THR H H 34 7.742 7.678 0.064 1
1 348 . 17 1 1 A 34 34 THR HA H 34 4.299 4.355 -0.056 1
1 353 . 17 1 1 A 34 34 THR C C 34 175.347 174.396 0.951 1
1 354 . 17 1 1 A 34 34 THR CA C 34 62.279 61.326 0.953 1
1 355 . 17 1 1 A 34 34 THR CB C 34 69.771 70.757 -0.986 1
1 357 . 17 1 1 A 34 34 THR N N 34 111.663 111.443 0.220 1
1 358 . 17 1 1 A 35 35 GLY H H 35 8.208 8.407 -0.199 1
1 359 . 17 1 1 A 35 35 GLY HA2 H 35 3.956 3.942 0.014 1
1 360 . 17 1 1 A 35 35 GLY HA3 H 35 3.956 3.947 0.009 1
1 361 . 17 1 1 A 35 35 GLY C C 35 174.200 174.041 0.159 1
1 362 . 17 1 1 A 35 35 GLY CA C 35 45.464 46.257 -0.793 1
1 363 . 17 1 1 A 35 35 GLY N N 35 110.990 109.079 1.911 1
1 364 . 17 1 1 A 36 36 VAL H H 36 7.948 8.499 -0.551 1
1 365 . 17 1 1 A 36 36 VAL HA H 36 4.124 3.949 0.175 1
1 373 . 17 1 1 A 36 36 VAL C C 36 176.269 175.600 0.669 1
1 374 . 17 1 1 A 36 36 VAL CA C 36 62.268 62.873 -0.605 1
1 375 . 17 1 1 A 36 36 VAL CB C 36 32.701 31.109 1.592 1
1 378 . 17 1 1 A 36 36 VAL N N 36 119.178 124.512 -5.334 1
1 379 . 17 1 1 A 37 37 SER H H 37 8.363 8.871 -0.508 1
1 380 . 17 1 1 A 37 37 SER HA H 37 4.451 4.701 -0.250 1
1 383 . 17 1 1 A 37 37 SER C C 37 174.469 173.854 0.615 1
1 384 . 17 1 1 A 37 37 SER CA C 37 58.264 57.264 1.000 1
1 385 . 17 1 1 A 37 37 SER CB C 37 64.029 63.332 0.697 1
1 386 . 17 1 1 A 37 37 SER N N 37 119.506 123.217 -3.711 1
1 387 . 17 1 1 A 38 38 GLY H H 38 8.206 8.657 -0.451 1
1 388 . 17 1 1 A 38 38 GLY HA2 H 38 4.113 4.368 -0.255 1
1 389 . 17 1 1 A 38 38 GLY HA3 H 38 4.011 4.369 -0.358 1
1 390 . 17 1 1 A 38 38 GLY C C 38 171.689 171.545 0.144 1
1 391 . 17 1 1 A 38 38 GLY CA C 38 44.602 44.581 0.021 1
1 392 . 17 1 1 A 38 38 GLY N N 38 110.830 114.162 -3.332 1
1 393 . 17 1 1 A 39 39 PRO HA H 39 4.416 4.699 -0.283 1
1 400 . 17 1 1 A 39 39 PRO C C 39 177.347 177.059 0.288 1
1 401 . 17 1 1 A 39 39 PRO CA C 39 63.184 62.818 0.366 1
1 402 . 17 1 1 A 39 39 PRO CB C 39 32.171 32.939 -0.768 1
1 405 . 17 1 1 A 40 40 SER H H 40 8.503 8.752 -0.249 1
1 406 . 17 1 1 A 40 40 SER HA H 40 4.455 4.441 0.014 1
1 409 . 17 1 1 A 40 40 SER C C 40 174.649 174.538 0.111 1
1 410 . 17 1 1 A 40 40 SER CA C 40 58.366 60.425 -2.059 1
1 411 . 17 1 1 A 40 40 SER CB C 40 63.806 64.039 -0.233 1
1 412 . 17 1 1 A 40 40 SER N N 40 116.420 117.635 -1.215 1
1 413 . 17 1 1 A 41 41 SER H H 41 8.301 7.985 0.316 1
1 414 . 17 1 1 A 41 41 SER HA H 41 4.452 4.271 0.181 1
1 417 . 17 1 1 A 41 41 SER C C 41 173.899 174.544 -0.645 1
1 418 . 17 1 1 A 41 41 SER CA C 41 58.385 59.972 -1.587 1
1 419 . 17 1 1 A 41 41 SER CB C 41 64.120 63.257 0.863 1
1 420 . 17 1 1 A 41 41 SER N N 41 117.874 116.536 1.338 1
1 1 . 18 1 1 A 6 6 SER HA H 6 4.423 4.253 0.170 1
1 4 . 18 1 1 A 6 6 SER C C 6 174.984 175.127 -0.143 1
1 5 . 18 1 1 A 6 6 SER CA C 6 58.619 61.036 -2.417 1
1 6 . 18 1 1 A 6 6 SER CB C 6 63.809 63.130 0.679 1
1 7 . 18 1 1 A 7 7 GLY H H 7 8.330 7.540 0.790 1
1 8 . 18 1 1 A 7 7 GLY HA2 H 7 3.853 4.044 -0.191 1
1 9 . 18 1 1 A 7 7 GLY HA3 H 7 3.853 4.046 -0.193 1
1 10 . 18 1 1 A 7 7 GLY C C 7 173.978 174.297 -0.319 1
1 11 . 18 1 1 A 7 7 GLY CA C 7 45.124 45.165 -0.041 1
1 12 . 18 1 1 A 7 7 GLY N N 7 110.444 108.639 1.805 1
1 13 . 18 1 1 A 8 8 GLU H H 8 8.136 7.844 0.292 1
1 14 . 18 1 1 A 8 8 GLU HA H 8 4.084 4.647 -0.563 1
1 19 . 18 1 1 A 8 8 GLU C C 8 176.363 175.963 0.400 1
1 20 . 18 1 1 A 8 8 GLU CA C 8 56.807 55.239 1.568 1
1 21 . 18 1 1 A 8 8 GLU CB C 8 30.323 31.212 -0.889 1
1 23 . 18 1 1 A 8 8 GLU N N 8 120.206 119.102 1.104 1
1 24 . 18 1 1 A 9 9 LYS H H 9 8.190 8.568 -0.378 1
1 25 . 18 1 1 A 9 9 LYS HA H 9 4.401 4.689 -0.288 1
1 34 . 18 1 1 A 9 9 LYS C C 9 173.724 176.400 -2.676 1
1 35 . 18 1 1 A 9 9 LYS CA C 9 53.773 53.312 0.461 1
1 36 . 18 1 1 A 9 9 LYS CB C 9 33.324 32.483 0.841 1
1 40 . 18 1 1 A 9 9 LYS N N 9 121.893 120.671 1.222 1
1 41 . 18 1 1 A 10 10 PRO HA H 10 4.176 4.286 -0.110 1
1 48 . 18 1 1 A 10 10 PRO C C 10 176.542 175.918 0.624 1
1 49 . 18 1 1 A 10 10 PRO CA C 10 63.392 64.985 -1.593 1
1 50 . 18 1 1 A 10 10 PRO CB C 10 32.297 31.618 0.679 1
1 53 . 18 1 1 A 11 11 TYR H H 11 7.766 7.692 0.074 1
1 54 . 18 1 1 A 11 11 TYR HA H 11 4.523 4.713 -0.190 1
1 61 . 18 1 1 A 11 11 TYR C C 11 174.276 176.392 -2.116 1
1 62 . 18 1 1 A 11 11 TYR CA C 11 58.052 58.519 -0.467 1
1 63 . 18 1 1 A 11 11 TYR CB C 11 38.185 40.100 -1.915 1
1 68 . 18 1 1 A 11 11 TYR N N 11 118.946 118.214 0.732 1
1 69 . 18 1 1 A 12 12 VAL H H 12 8.434 8.784 -0.350 1
1 70 . 18 1 1 A 12 12 VAL HA H 12 4.510 4.743 -0.233 1
1 78 . 18 1 1 A 12 12 VAL C C 12 175.589 175.170 0.419 1
1 79 . 18 1 1 A 12 12 VAL CA C 12 61.266 61.463 -0.197 1
1 80 . 18 1 1 A 12 12 VAL CB C 12 34.474 35.081 -0.607 1
1 83 . 18 1 1 A 12 12 VAL N N 12 125.129 122.052 3.077 1
1 84 . 18 1 1 A 13 13 CYS H H 13 9.288 9.290 -0.002 1
1 85 . 18 1 1 A 13 13 CYS HA H 13 4.486 4.388 0.098 1
1 88 . 18 1 1 A 13 13 CYS C C 13 177.453 175.910 1.543 1
1 89 . 18 1 1 A 13 13 CYS CA C 13 59.913 60.357 -0.444 1
1 90 . 18 1 1 A 13 13 CYS CB C 13 29.670 29.031 0.639 1
1 91 . 18 1 1 A 13 13 CYS N N 13 129.949 127.404 2.545 1
1 92 . 18 1 1 A 14 14 SER H H 14 9.359 8.878 0.481 1
1 93 . 18 1 1 A 14 14 SER HA H 14 4.194 4.763 -0.569 1
1 96 . 18 1 1 A 14 14 SER C C 14 174.334 174.375 -0.041 1
1 97 . 18 1 1 A 14 14 SER CA C 14 61.015 58.184 2.831 1
1 98 . 18 1 1 A 14 14 SER CB C 14 63.031 63.548 -0.517 1
1 99 . 18 1 1 A 14 14 SER N N 14 128.692 122.933 5.759 1
1 100 . 18 1 1 A 15 15 ASP H H 15 8.616 8.097 0.519 1
1 101 . 18 1 1 A 15 15 ASP HA H 15 4.495 4.715 -0.220 1
1 104 . 18 1 1 A 15 15 ASP C C 15 176.945 177.423 -0.478 1
1 105 . 18 1 1 A 15 15 ASP CA C 15 56.927 55.171 1.756 1
1 106 . 18 1 1 A 15 15 ASP CB C 15 41.300 42.851 -1.551 1
1 107 . 18 1 1 A 15 15 ASP N N 15 122.842 120.015 2.827 1
1 108 . 18 1 1 A 16 16 CYS H H 16 7.880 8.081 -0.201 1
1 109 . 18 1 1 A 16 16 CYS HA H 16 5.095 4.721 0.374 1
1 112 . 18 1 1 A 16 16 CYS C C 16 176.300 175.745 0.555 1
1 113 . 18 1 1 A 16 16 CYS CA C 16 58.641 59.513 -0.872 1
1 114 . 18 1 1 A 16 16 CYS CB C 16 32.470 30.233 2.237 1
1 115 . 18 1 1 A 16 16 CYS N N 16 114.753 114.419 0.334 1
1 116 . 18 1 1 A 17 17 GLY H H 17 8.180 8.180 0.000 1
1 117 . 18 1 1 A 17 17 GLY HA2 H 17 3.657 4.070 -0.413 1
1 118 . 18 1 1 A 17 17 GLY HA3 H 17 4.150 4.085 0.065 1
1 119 . 18 1 1 A 17 17 GLY C C 17 173.556 174.433 -0.877 1
1 120 . 18 1 1 A 17 17 GLY CA C 17 46.062 45.115 0.947 1
1 121 . 18 1 1 A 17 17 GLY N N 17 113.552 110.166 3.386 1
1 122 . 18 1 1 A 18 18 LYS H H 18 7.992 7.648 0.344 1
1 123 . 18 1 1 A 18 18 LYS HA H 18 3.843 4.301 -0.458 1
1 132 . 18 1 1 A 18 18 LYS C C 18 173.383 175.819 -2.436 1
1 133 . 18 1 1 A 18 18 LYS CA C 18 58.362 55.470 2.892 1
1 134 . 18 1 1 A 18 18 LYS CB C 18 33.336 33.096 0.240 1
1 138 . 18 1 1 A 18 18 LYS N N 18 123.588 122.278 1.310 1
1 139 . 18 1 1 A 19 19 ALA H H 19 7.646 8.292 -0.646 1
1 140 . 18 1 1 A 19 19 ALA HA H 19 5.124 4.797 0.327 1
1 144 . 18 1 1 A 19 19 ALA C C 19 176.333 176.496 -0.163 1
1 145 . 18 1 1 A 19 19 ALA CA C 19 50.076 51.488 -1.412 1
1 146 . 18 1 1 A 19 19 ALA CB C 19 22.792 20.238 2.554 1
1 147 . 18 1 1 A 19 19 ALA N N 19 124.673 128.941 -4.268 1
1 148 . 18 1 1 A 20 20 PHE H H 20 8.857 8.734 0.123 1
1 149 . 18 1 1 A 20 20 PHE HA H 20 4.653 4.870 -0.217 1
1 157 . 18 1 1 A 20 20 PHE C C 20 175.110 175.635 -0.525 1
1 158 . 18 1 1 A 20 20 PHE CA C 20 57.317 56.728 0.589 1
1 159 . 18 1 1 A 20 20 PHE CB C 20 43.327 42.776 0.551 1
1 165 . 18 1 1 A 20 20 PHE N N 20 117.387 117.401 -0.014 1
1 166 . 18 1 1 A 21 21 THR H H 21 8.729 8.677 0.052 1
1 167 . 18 1 1 A 21 21 THR HA H 21 4.005 4.098 -0.093 1
1 172 . 18 1 1 A 21 21 THR C C 21 173.500 174.801 -1.301 1
1 173 . 18 1 1 A 21 21 THR CA C 21 66.328 65.935 0.393 1
1 174 . 18 1 1 A 21 21 THR CB C 21 69.605 68.203 1.402 1
1 176 . 18 1 1 A 21 21 THR N N 21 118.703 116.991 1.712 1
1 177 . 18 1 1 A 22 22 PHE H H 22 7.767 7.898 -0.131 1
1 178 . 18 1 1 A 22 22 PHE HA H 22 5.093 4.931 0.162 1
1 186 . 18 1 1 A 22 22 PHE C C 22 176.290 175.677 0.613 1
1 187 . 18 1 1 A 22 22 PHE CA C 22 55.753 57.279 -1.526 1
1 188 . 18 1 1 A 22 22 PHE CB C 22 42.016 40.995 1.021 1
1 194 . 18 1 1 A 22 22 PHE N N 22 114.810 117.960 -3.150 1
1 195 . 18 1 1 A 23 23 LYS H H 23 8.496 8.575 -0.079 1
1 196 . 18 1 1 A 23 23 LYS HA H 23 2.922 2.823 0.099 1
1 205 . 18 1 1 A 23 23 LYS C C 23 178.191 177.858 0.333 1
1 206 . 18 1 1 A 23 23 LYS CA C 23 59.444 59.367 0.077 1
1 207 . 18 1 1 A 23 23 LYS CB C 23 31.569 32.019 -0.450 1
1 211 . 18 1 1 A 23 23 LYS N N 23 127.716 124.191 3.525 1
1 212 . 18 1 1 A 24 24 SER H H 24 8.519 7.941 0.578 1
1 213 . 18 1 1 A 24 24 SER HA H 24 3.838 3.990 -0.152 1
1 216 . 18 1 1 A 24 24 SER C C 24 176.778 177.129 -0.351 1
1 217 . 18 1 1 A 24 24 SER CA C 24 60.910 61.533 -0.623 1
1 218 . 18 1 1 A 24 24 SER CB C 24 61.337 63.102 -1.765 1
1 219 . 18 1 1 A 24 24 SER N N 24 111.904 113.825 -1.921 1
1 220 . 18 1 1 A 25 25 GLN H H 25 6.829 8.276 -1.447 1
1 221 . 18 1 1 A 25 25 GLN HA H 25 3.894 3.923 -0.029 1
1 228 . 18 1 1 A 25 25 GLN C C 25 178.758 178.168 0.590 1
1 229 . 18 1 1 A 25 25 GLN CA C 25 57.499 59.053 -1.554 1
1 230 . 18 1 1 A 25 25 GLN CB C 25 28.839 28.313 0.526 1
1 232 . 18 1 1 A 25 25 GLN N N 25 119.416 121.167 -1.751 1
1 234 . 18 1 1 A 26 26 LEU H H 26 6.900 7.748 -0.848 1
1 235 . 18 1 1 A 26 26 LEU HA H 26 3.218 2.907 0.311 1
1 245 . 18 1 1 A 26 26 LEU C C 26 177.322 178.385 -1.063 1
1 246 . 18 1 1 A 26 26 LEU CA C 26 57.675 57.566 0.109 1
1 247 . 18 1 1 A 26 26 LEU CB C 26 40.250 41.584 -1.334 1
1 251 . 18 1 1 A 26 26 LEU N N 26 122.040 120.463 1.577 1
1 252 . 18 1 1 A 27 27 ILE H H 27 7.967 7.860 0.107 1
1 253 . 18 1 1 A 27 27 ILE HA H 27 3.683 3.589 0.094 1
1 263 . 18 1 1 A 27 27 ILE C C 27 179.261 178.495 0.766 1
1 264 . 18 1 1 A 27 27 ILE CA C 27 64.506 65.232 -0.726 1
1 265 . 18 1 1 A 27 27 ILE CB C 27 37.362 37.699 -0.337 1
1 269 . 18 1 1 A 27 27 ILE N N 27 118.724 120.101 -1.377 1
1 270 . 18 1 1 A 28 28 VAL H H 28 7.247 7.988 -0.741 1
1 271 . 18 1 1 A 28 28 VAL HA H 28 3.569 3.481 0.088 1
1 279 . 18 1 1 A 28 28 VAL C C 28 179.175 178.287 0.888 1
1 280 . 18 1 1 A 28 28 VAL CA C 28 66.301 66.245 0.056 1
1 281 . 18 1 1 A 28 28 VAL CB C 28 32.097 31.605 0.492 1
1 284 . 18 1 1 A 28 28 VAL N N 28 118.810 120.295 -1.485 1
1 285 . 18 1 1 A 29 29 HIS H H 29 7.552 7.842 -0.290 1
1 286 . 18 1 1 A 29 29 HIS HA H 29 4.109 4.010 0.099 1
1 291 . 18 1 1 A 29 29 HIS C C 29 175.916 176.666 -0.750 1
1 292 . 18 1 1 A 29 29 HIS CA C 29 59.370 59.600 -0.230 1
1 293 . 18 1 1 A 29 29 HIS CB C 29 28.596 29.835 -1.239 1
1 296 . 18 1 1 A 29 29 HIS N N 29 120.366 119.247 1.119 1
1 297 . 18 1 1 A 30 30 GLN H H 30 8.437 8.597 -0.160 1
1 298 . 18 1 1 A 30 30 GLN HA H 30 3.714 4.019 -0.305 1
1 305 . 18 1 1 A 30 30 GLN C C 30 177.902 179.277 -1.375 1
1 306 . 18 1 1 A 30 30 GLN CA C 30 59.344 58.743 0.601 1
1 307 . 18 1 1 A 30 30 GLN CB C 30 28.168 28.182 -0.014 1
1 309 . 18 1 1 A 30 30 GLN N N 30 115.477 116.944 -1.467 1
1 311 . 18 1 1 A 31 31 GLY H H 31 7.466 8.384 -0.918 1
1 312 . 18 1 1 A 31 31 GLY HA2 H 31 3.969 3.643 0.326 1
1 313 . 18 1 1 A 31 31 GLY HA3 H 31 3.850 3.670 0.180 1
1 314 . 18 1 1 A 31 31 GLY C C 31 175.915 175.927 -0.012 1
1 315 . 18 1 1 A 31 31 GLY CA C 31 46.630 47.274 -0.644 1
1 316 . 18 1 1 A 31 31 GLY N N 31 105.808 108.618 -2.810 1
1 317 . 18 1 1 A 32 32 ILE H H 32 7.806 8.180 -0.374 1
1 318 . 18 1 1 A 32 32 ILE HA H 32 4.000 3.723 0.277 1
1 328 . 18 1 1 A 32 32 ILE C C 32 177.427 177.387 0.040 1
1 329 . 18 1 1 A 32 32 ILE CA C 32 62.775 63.934 -1.159 1
1 330 . 18 1 1 A 32 32 ILE CB C 32 37.641 37.255 0.386 1
1 334 . 18 1 1 A 32 32 ILE N N 32 117.910 120.120 -2.210 1
1 335 . 18 1 1 A 33 33 HIS H H 33 7.263 7.412 -0.149 1
1 336 . 18 1 1 A 33 33 HIS HA H 33 4.807 4.457 0.350 1
1 341 . 18 1 1 A 33 33 HIS C C 33 175.667 175.359 0.308 1
1 342 . 18 1 1 A 33 33 HIS CA C 33 55.199 58.785 -3.586 1
1 343 . 18 1 1 A 33 33 HIS CB C 33 28.669 31.091 -2.422 1
1 346 . 18 1 1 A 33 33 HIS N N 33 118.200 119.754 -1.554 1
1 347 . 18 1 1 A 34 34 THR H H 34 7.742 7.769 -0.027 1
1 348 . 18 1 1 A 34 34 THR HA H 34 4.299 4.357 -0.058 1
1 353 . 18 1 1 A 34 34 THR C C 34 175.347 174.672 0.675 1
1 354 . 18 1 1 A 34 34 THR CA C 34 62.279 61.143 1.136 1
1 355 . 18 1 1 A 34 34 THR CB C 34 69.771 70.485 -0.714 1
1 357 . 18 1 1 A 34 34 THR N N 34 111.663 110.725 0.938 1
1 358 . 18 1 1 A 35 35 GLY H H 35 8.208 9.016 -0.808 1
1 359 . 18 1 1 A 35 35 GLY HA2 H 35 3.956 3.898 0.058 1
1 360 . 18 1 1 A 35 35 GLY HA3 H 35 3.956 3.904 0.052 1
1 361 . 18 1 1 A 35 35 GLY C C 35 174.200 173.701 0.499 1
1 362 . 18 1 1 A 35 35 GLY CA C 35 45.464 46.978 -1.514 1
1 363 . 18 1 1 A 35 35 GLY N N 35 110.990 110.833 0.157 1
1 364 . 18 1 1 A 36 36 VAL H H 36 7.948 7.810 0.138 1
1 365 . 18 1 1 A 36 36 VAL HA H 36 4.124 4.556 -0.432 1
1 373 . 18 1 1 A 36 36 VAL C C 36 176.269 175.619 0.650 1
1 374 . 18 1 1 A 36 36 VAL CA C 36 62.268 60.707 1.561 1
1 375 . 18 1 1 A 36 36 VAL CB C 36 32.701 35.043 -2.342 1
1 378 . 18 1 1 A 36 36 VAL N N 36 119.178 119.663 -0.485 1
1 379 . 18 1 1 A 37 37 SER H H 37 8.363 8.840 -0.477 1
1 380 . 18 1 1 A 37 37 SER HA H 37 4.451 4.337 0.114 1
1 383 . 18 1 1 A 37 37 SER C C 37 174.469 175.468 -0.999 1
1 384 . 18 1 1 A 37 37 SER CA C 37 58.264 61.590 -3.326 1
1 385 . 18 1 1 A 37 37 SER CB C 37 64.029 63.487 0.542 1
1 386 . 18 1 1 A 37 37 SER N N 37 119.506 122.617 -3.111 1
1 387 . 18 1 1 A 38 38 GLY H H 38 8.206 8.090 0.116 1
1 388 . 18 1 1 A 38 38 GLY HA2 H 38 4.113 4.008 0.105 1
1 389 . 18 1 1 A 38 38 GLY HA3 H 38 4.011 4.009 0.002 1
1 390 . 18 1 1 A 38 38 GLY C C 38 171.689 174.560 -2.871 1
1 391 . 18 1 1 A 38 38 GLY CA C 38 44.602 45.259 -0.657 1
1 392 . 18 1 1 A 38 38 GLY N N 38 110.830 108.488 2.342 1
1 393 . 18 1 1 A 39 39 PRO HA H 39 4.416 4.498 -0.082 1
1 400 . 18 1 1 A 39 39 PRO C C 39 177.347 177.148 0.199 1
1 401 . 18 1 1 A 39 39 PRO CA C 39 63.184 63.780 -0.596 1
1 402 . 18 1 1 A 39 39 PRO CB C 39 32.171 32.196 -0.025 1
1 405 . 18 1 1 A 40 40 SER H H 40 8.503 8.078 0.425 1
1 406 . 18 1 1 A 40 40 SER HA H 40 4.455 4.106 0.349 1
1 409 . 18 1 1 A 40 40 SER C C 40 174.649 174.262 0.387 1
1 410 . 18 1 1 A 40 40 SER CA C 40 58.366 61.359 -2.993 1
1 411 . 18 1 1 A 40 40 SER CB C 40 63.806 63.217 0.589 1
1 412 . 18 1 1 A 40 40 SER N N 40 116.420 113.592 2.828 1
1 413 . 18 1 1 A 41 41 SER H H 41 8.301 7.951 0.350 1
1 414 . 18 1 1 A 41 41 SER HA H 41 4.452 4.840 -0.388 1
1 417 . 18 1 1 A 41 41 SER C C 41 173.899 174.795 -0.896 1
1 418 . 18 1 1 A 41 41 SER CA C 41 58.385 56.321 2.064 1
1 419 . 18 1 1 A 41 41 SER CB C 41 64.120 65.039 -0.919 1
1 420 . 18 1 1 A 41 41 SER N N 41 117.874 115.023 2.851 1
1 1 . 19 1 1 A 6 6 SER HA H 6 4.423 5.227 -0.804 1
1 4 . 19 1 1 A 6 6 SER C C 6 174.984 173.155 1.829 1
1 5 . 19 1 1 A 6 6 SER CA C 6 58.619 57.399 1.220 1
1 6 . 19 1 1 A 6 6 SER CB C 6 63.809 67.540 -3.731 1
1 7 . 19 1 1 A 7 7 GLY H H 7 8.330 8.408 -0.078 1
1 8 . 19 1 1 A 7 7 GLY HA2 H 7 3.853 4.248 -0.395 1
1 9 . 19 1 1 A 7 7 GLY HA3 H 7 3.853 4.248 -0.395 1
1 10 . 19 1 1 A 7 7 GLY C C 7 173.978 171.771 2.207 1
1 11 . 19 1 1 A 7 7 GLY CA C 7 45.124 45.523 -0.399 1
1 12 . 19 1 1 A 7 7 GLY N N 7 110.444 108.665 1.779 1
1 13 . 19 1 1 A 8 8 GLU H H 8 8.136 8.760 -0.624 1
1 14 . 19 1 1 A 8 8 GLU HA H 8 4.084 5.109 -1.025 1
1 19 . 19 1 1 A 8 8 GLU C C 8 176.363 176.003 0.360 1
1 20 . 19 1 1 A 8 8 GLU CA C 8 56.807 54.735 2.072 1
1 21 . 19 1 1 A 8 8 GLU CB C 8 30.323 32.562 -2.239 1
1 23 . 19 1 1 A 8 8 GLU N N 8 120.206 122.202 -1.996 1
1 24 . 19 1 1 A 9 9 LYS H H 9 8.190 8.759 -0.569 1
1 25 . 19 1 1 A 9 9 LYS HA H 9 4.401 4.372 0.029 1
1 34 . 19 1 1 A 9 9 LYS C C 9 173.724 176.708 -2.984 1
1 35 . 19 1 1 A 9 9 LYS CA C 9 53.773 54.717 -0.944 1
1 36 . 19 1 1 A 9 9 LYS CB C 9 33.324 31.904 1.420 1
1 40 . 19 1 1 A 9 9 LYS N N 9 121.893 124.473 -2.580 1
1 41 . 19 1 1 A 10 10 PRO HA H 10 4.176 4.333 -0.157 1
1 48 . 19 1 1 A 10 10 PRO C C 10 176.542 175.976 0.566 1
1 49 . 19 1 1 A 10 10 PRO CA C 10 63.392 65.005 -1.613 1
1 50 . 19 1 1 A 10 10 PRO CB C 10 32.297 31.640 0.657 1
1 53 . 19 1 1 A 11 11 TYR H H 11 7.766 7.281 0.485 1
1 54 . 19 1 1 A 11 11 TYR HA H 11 4.523 4.717 -0.194 1
1 61 . 19 1 1 A 11 11 TYR C C 11 174.276 176.353 -2.077 1
1 62 . 19 1 1 A 11 11 TYR CA C 11 58.052 58.435 -0.383 1
1 63 . 19 1 1 A 11 11 TYR CB C 11 38.185 39.835 -1.650 1
1 68 . 19 1 1 A 11 11 TYR N N 11 118.946 118.225 0.721 1
1 69 . 19 1 1 A 12 12 VAL H H 12 8.434 8.694 -0.260 1
1 70 . 19 1 1 A 12 12 VAL HA H 12 4.510 4.934 -0.424 1
1 78 . 19 1 1 A 12 12 VAL C C 12 175.589 175.464 0.125 1
1 79 . 19 1 1 A 12 12 VAL CA C 12 61.266 61.521 -0.255 1
1 80 . 19 1 1 A 12 12 VAL CB C 12 34.474 34.877 -0.403 1
1 83 . 19 1 1 A 12 12 VAL N N 12 125.129 122.768 2.361 1
1 84 . 19 1 1 A 13 13 CYS H H 13 9.288 9.211 0.077 1
1 85 . 19 1 1 A 13 13 CYS HA H 13 4.486 4.407 0.079 1
1 88 . 19 1 1 A 13 13 CYS C C 13 177.453 175.868 1.585 1
1 89 . 19 1 1 A 13 13 CYS CA C 13 59.913 60.172 -0.259 1
1 90 . 19 1 1 A 13 13 CYS CB C 13 29.670 28.629 1.041 1
1 91 . 19 1 1 A 13 13 CYS N N 13 129.949 127.640 2.309 1
1 92 . 19 1 1 A 14 14 SER H H 14 9.359 8.905 0.454 1
1 93 . 19 1 1 A 14 14 SER HA H 14 4.194 4.837 -0.643 1
1 96 . 19 1 1 A 14 14 SER C C 14 174.334 174.525 -0.191 1
1 97 . 19 1 1 A 14 14 SER CA C 14 61.015 57.953 3.062 1
1 98 . 19 1 1 A 14 14 SER CB C 14 63.031 63.263 -0.232 1
1 99 . 19 1 1 A 14 14 SER N N 14 128.692 122.163 6.529 1
1 100 . 19 1 1 A 15 15 ASP H H 15 8.616 7.833 0.783 1
1 101 . 19 1 1 A 15 15 ASP HA H 15 4.495 4.778 -0.283 1
1 104 . 19 1 1 A 15 15 ASP C C 15 176.945 177.252 -0.307 1
1 105 . 19 1 1 A 15 15 ASP CA C 15 56.927 55.378 1.549 1
1 106 . 19 1 1 A 15 15 ASP CB C 15 41.300 43.220 -1.920 1
1 107 . 19 1 1 A 15 15 ASP N N 15 122.842 120.270 2.572 1
1 108 . 19 1 1 A 16 16 CYS H H 16 7.880 8.172 -0.292 1
1 109 . 19 1 1 A 16 16 CYS HA H 16 5.095 4.734 0.361 1
1 112 . 19 1 1 A 16 16 CYS C C 16 176.300 175.723 0.577 1
1 113 . 19 1 1 A 16 16 CYS CA C 16 58.641 59.555 -0.914 1
1 114 . 19 1 1 A 16 16 CYS CB C 16 32.470 30.130 2.340 1
1 115 . 19 1 1 A 16 16 CYS N N 16 114.753 114.513 0.240 1
1 116 . 19 1 1 A 17 17 GLY H H 17 8.180 8.098 0.082 1
1 117 . 19 1 1 A 17 17 GLY HA2 H 17 3.657 4.095 -0.438 1
1 118 . 19 1 1 A 17 17 GLY HA3 H 17 4.150 4.106 0.044 1
1 119 . 19 1 1 A 17 17 GLY C C 17 173.556 174.605 -1.049 1
1 120 . 19 1 1 A 17 17 GLY CA C 17 46.062 45.032 1.030 1
1 121 . 19 1 1 A 17 17 GLY N N 17 113.552 109.882 3.670 1
1 122 . 19 1 1 A 18 18 LYS H H 18 7.992 7.660 0.332 1
1 123 . 19 1 1 A 18 18 LYS HA H 18 3.843 4.177 -0.334 1
1 132 . 19 1 1 A 18 18 LYS C C 18 173.383 175.532 -2.149 1
1 133 . 19 1 1 A 18 18 LYS CA C 18 58.362 55.916 2.446 1
1 134 . 19 1 1 A 18 18 LYS CB C 18 33.336 33.111 0.225 1
1 138 . 19 1 1 A 18 18 LYS N N 18 123.588 122.563 1.025 1
1 139 . 19 1 1 A 19 19 ALA H H 19 7.646 8.439 -0.793 1
1 140 . 19 1 1 A 19 19 ALA HA H 19 5.124 5.551 -0.427 1
1 144 . 19 1 1 A 19 19 ALA C C 19 176.333 176.175 0.158 1
1 145 . 19 1 1 A 19 19 ALA CA C 19 50.076 50.082 -0.006 1
1 146 . 19 1 1 A 19 19 ALA CB C 19 22.792 21.948 0.844 1
1 147 . 19 1 1 A 19 19 ALA N N 19 124.673 128.393 -3.720 1
1 148 . 19 1 1 A 20 20 PHE H H 20 8.857 8.966 -0.109 1
1 149 . 19 1 1 A 20 20 PHE HA H 20 4.653 4.887 -0.234 1
1 157 . 19 1 1 A 20 20 PHE C C 20 175.110 175.700 -0.590 1
1 158 . 19 1 1 A 20 20 PHE CA C 20 57.317 56.840 0.477 1
1 159 . 19 1 1 A 20 20 PHE CB C 20 43.327 42.951 0.376 1
1 165 . 19 1 1 A 20 20 PHE N N 20 117.387 117.591 -0.204 1
1 166 . 19 1 1 A 21 21 THR H H 21 8.729 8.680 0.049 1
1 167 . 19 1 1 A 21 21 THR HA H 21 4.005 4.336 -0.331 1
1 172 . 19 1 1 A 21 21 THR C C 21 173.500 174.969 -1.469 1
1 173 . 19 1 1 A 21 21 THR CA C 21 66.328 64.992 1.336 1
1 174 . 19 1 1 A 21 21 THR CB C 21 69.605 69.170 0.435 1
1 176 . 19 1 1 A 21 21 THR N N 21 118.703 116.789 1.914 1
1 177 . 19 1 1 A 22 22 PHE H H 22 7.767 8.051 -0.284 1
1 178 . 19 1 1 A 22 22 PHE HA H 22 5.093 4.794 0.299 1
1 186 . 19 1 1 A 22 22 PHE C C 22 176.290 175.808 0.482 1
1 187 . 19 1 1 A 22 22 PHE CA C 22 55.753 57.452 -1.699 1
1 188 . 19 1 1 A 22 22 PHE CB C 22 42.016 40.721 1.295 1
1 194 . 19 1 1 A 22 22 PHE N N 22 114.810 118.109 -3.299 1
1 195 . 19 1 1 A 23 23 LYS H H 23 8.496 8.635 -0.139 1
1 196 . 19 1 1 A 23 23 LYS HA H 23 2.922 2.663 0.259 1
1 205 . 19 1 1 A 23 23 LYS C C 23 178.191 177.760 0.431 1
1 206 . 19 1 1 A 23 23 LYS CA C 23 59.444 59.485 -0.041 1
1 207 . 19 1 1 A 23 23 LYS CB C 23 31.569 32.166 -0.597 1
1 211 . 19 1 1 A 23 23 LYS N N 23 127.716 123.947 3.769 1
1 212 . 19 1 1 A 24 24 SER H H 24 8.519 7.918 0.601 1
1 213 . 19 1 1 A 24 24 SER HA H 24 3.838 3.960 -0.122 1
1 216 . 19 1 1 A 24 24 SER C C 24 176.778 177.166 -0.388 1
1 217 . 19 1 1 A 24 24 SER CA C 24 60.910 61.526 -0.616 1
1 218 . 19 1 1 A 24 24 SER CB C 24 61.337 62.938 -1.601 1
1 219 . 19 1 1 A 24 24 SER N N 24 111.904 113.773 -1.869 1
1 220 . 19 1 1 A 25 25 GLN H H 25 6.829 8.114 -1.285 1
1 221 . 19 1 1 A 25 25 GLN HA H 25 3.894 3.797 0.097 1
1 228 . 19 1 1 A 25 25 GLN C C 25 178.758 177.913 0.845 1
1 229 . 19 1 1 A 25 25 GLN CA C 25 57.499 58.921 -1.422 1
1 230 . 19 1 1 A 25 25 GLN CB C 25 28.839 28.186 0.653 1
1 232 . 19 1 1 A 25 25 GLN N N 25 119.416 120.621 -1.205 1
1 234 . 19 1 1 A 26 26 LEU H H 26 6.900 7.452 -0.552 1
1 235 . 19 1 1 A 26 26 LEU HA H 26 3.218 3.206 0.012 1
1 245 . 19 1 1 A 26 26 LEU C C 26 177.322 178.564 -1.242 1
1 246 . 19 1 1 A 26 26 LEU CA C 26 57.675 57.649 0.026 1
1 247 . 19 1 1 A 26 26 LEU CB C 26 40.250 41.696 -1.446 1
1 251 . 19 1 1 A 26 26 LEU N N 26 122.040 120.317 1.723 1
1 252 . 19 1 1 A 27 27 ILE H H 27 7.967 8.056 -0.089 1
1 253 . 19 1 1 A 27 27 ILE HA H 27 3.683 3.630 0.053 1
1 263 . 19 1 1 A 27 27 ILE C C 27 179.261 178.599 0.662 1
1 264 . 19 1 1 A 27 27 ILE CA C 27 64.506 65.219 -0.713 1
1 265 . 19 1 1 A 27 27 ILE CB C 27 37.362 37.755 -0.393 1
1 269 . 19 1 1 A 27 27 ILE N N 27 118.724 120.111 -1.387 1
1 270 . 19 1 1 A 28 28 VAL H H 28 7.247 8.015 -0.768 1
1 271 . 19 1 1 A 28 28 VAL HA H 28 3.569 3.556 0.013 1
1 279 . 19 1 1 A 28 28 VAL C C 28 179.175 178.114 1.061 1
1 280 . 19 1 1 A 28 28 VAL CA C 28 66.301 65.941 0.360 1
1 281 . 19 1 1 A 28 28 VAL CB C 28 32.097 31.591 0.506 1
1 284 . 19 1 1 A 28 28 VAL N N 28 118.810 120.752 -1.942 1
1 285 . 19 1 1 A 29 29 HIS H H 29 7.552 7.878 -0.326 1
1 286 . 19 1 1 A 29 29 HIS HA H 29 4.109 4.027 0.082 1
1 291 . 19 1 1 A 29 29 HIS C C 29 175.916 176.706 -0.790 1
1 292 . 19 1 1 A 29 29 HIS CA C 29 59.370 59.524 -0.154 1
1 293 . 19 1 1 A 29 29 HIS CB C 29 28.596 29.541 -0.945 1
1 296 . 19 1 1 A 29 29 HIS N N 29 120.366 119.759 0.607 1
1 297 . 19 1 1 A 30 30 GLN H H 30 8.437 8.520 -0.083 1
1 298 . 19 1 1 A 30 30 GLN HA H 30 3.714 3.942 -0.228 1
1 305 . 19 1 1 A 30 30 GLN C C 30 177.902 179.370 -1.468 1
1 306 . 19 1 1 A 30 30 GLN CA C 30 59.344 58.635 0.709 1
1 307 . 19 1 1 A 30 30 GLN CB C 30 28.168 28.214 -0.046 1
1 309 . 19 1 1 A 30 30 GLN N N 30 115.477 116.872 -1.395 1
1 311 . 19 1 1 A 31 31 GLY H H 31 7.466 8.333 -0.867 1
1 312 . 19 1 1 A 31 31 GLY HA2 H 31 3.969 3.620 0.349 1
1 313 . 19 1 1 A 31 31 GLY HA3 H 31 3.850 3.650 0.200 1
1 314 . 19 1 1 A 31 31 GLY C C 31 175.915 175.928 -0.013 1
1 315 . 19 1 1 A 31 31 GLY CA C 31 46.630 47.283 -0.653 1
1 316 . 19 1 1 A 31 31 GLY N N 31 105.808 108.569 -2.761 1
1 317 . 19 1 1 A 32 32 ILE H H 32 7.806 8.153 -0.347 1
1 318 . 19 1 1 A 32 32 ILE HA H 32 4.000 3.737 0.263 1
1 328 . 19 1 1 A 32 32 ILE C C 32 177.427 177.705 -0.278 1
1 329 . 19 1 1 A 32 32 ILE CA C 32 62.775 64.184 -1.409 1
1 330 . 19 1 1 A 32 32 ILE CB C 32 37.641 37.249 0.392 1
1 334 . 19 1 1 A 32 32 ILE N N 32 117.910 120.095 -2.185 1
1 335 . 19 1 1 A 33 33 HIS H H 33 7.263 7.044 0.219 1
1 336 . 19 1 1 A 33 33 HIS HA H 33 4.807 4.482 0.325 1
1 341 . 19 1 1 A 33 33 HIS C C 33 175.667 177.486 -1.819 1
1 342 . 19 1 1 A 33 33 HIS CA C 33 55.199 59.013 -3.814 1
1 343 . 19 1 1 A 33 33 HIS CB C 33 28.669 30.036 -1.367 1
1 346 . 19 1 1 A 33 33 HIS N N 33 118.200 120.860 -2.660 1
1 347 . 19 1 1 A 34 34 THR H H 34 7.742 7.877 -0.135 1
1 348 . 19 1 1 A 34 34 THR HA H 34 4.299 3.937 0.362 1
1 353 . 19 1 1 A 34 34 THR C C 34 175.347 176.525 -1.178 1
1 354 . 19 1 1 A 34 34 THR CA C 34 62.279 65.664 -3.385 1
1 355 . 19 1 1 A 34 34 THR CB C 34 69.771 68.828 0.943 1
1 357 . 19 1 1 A 34 34 THR N N 34 111.663 112.773 -1.110 1
1 358 . 19 1 1 A 35 35 GLY H H 35 8.208 8.831 -0.623 1
1 359 . 19 1 1 A 35 35 GLY HA2 H 35 3.956 3.755 0.201 1
1 360 . 19 1 1 A 35 35 GLY HA3 H 35 3.956 3.761 0.195 1
1 361 . 19 1 1 A 35 35 GLY C C 35 174.200 175.715 -1.515 1
1 362 . 19 1 1 A 35 35 GLY CA C 35 45.464 47.283 -1.819 1
1 363 . 19 1 1 A 35 35 GLY N N 35 110.990 107.915 3.075 1
1 364 . 19 1 1 A 36 36 VAL H H 36 7.948 7.724 0.224 1
1 365 . 19 1 1 A 36 36 VAL HA H 36 4.124 4.011 0.113 1
1 373 . 19 1 1 A 36 36 VAL C C 36 176.269 175.166 1.103 1
1 374 . 19 1 1 A 36 36 VAL CA C 36 62.268 62.856 -0.588 1
1 375 . 19 1 1 A 36 36 VAL CB C 36 32.701 31.166 1.535 1
1 378 . 19 1 1 A 36 36 VAL N N 36 119.178 120.429 -1.251 1
1 379 . 19 1 1 A 37 37 SER H H 37 8.363 8.905 -0.542 1
1 380 . 19 1 1 A 37 37 SER HA H 37 4.451 5.140 -0.689 1
1 383 . 19 1 1 A 37 37 SER C C 37 174.469 174.354 0.115 1
1 384 . 19 1 1 A 37 37 SER CA C 37 58.264 57.565 0.699 1
1 385 . 19 1 1 A 37 37 SER CB C 37 64.029 65.149 -1.120 1
1 386 . 19 1 1 A 37 37 SER N N 37 119.506 125.335 -5.829 1
1 387 . 19 1 1 A 38 38 GLY H H 38 8.206 8.201 0.005 1
1 388 . 19 1 1 A 38 38 GLY HA2 H 38 4.113 4.181 -0.068 1
1 389 . 19 1 1 A 38 38 GLY HA3 H 38 4.011 4.182 -0.171 1
1 390 . 19 1 1 A 38 38 GLY C C 38 171.689 174.096 -2.407 1
1 391 . 19 1 1 A 38 38 GLY CA C 38 44.602 45.790 -1.188 1
1 392 . 19 1 1 A 38 38 GLY N N 38 110.830 110.125 0.705 1
1 393 . 19 1 1 A 39 39 PRO HA H 39 4.416 4.460 -0.044 1
1 400 . 19 1 1 A 39 39 PRO C C 39 177.347 176.403 0.944 1
1 401 . 19 1 1 A 39 39 PRO CA C 39 63.184 64.041 -0.857 1
1 402 . 19 1 1 A 39 39 PRO CB C 39 32.171 32.015 0.156 1
1 405 . 19 1 1 A 40 40 SER H H 40 8.503 7.595 0.908 1
1 406 . 19 1 1 A 40 40 SER HA H 40 4.455 4.758 -0.303 1
1 409 . 19 1 1 A 40 40 SER C C 40 174.649 174.274 0.375 1
1 410 . 19 1 1 A 40 40 SER CA C 40 58.366 57.612 0.754 1
1 411 . 19 1 1 A 40 40 SER CB C 40 63.806 67.021 -3.215 1
1 412 . 19 1 1 A 40 40 SER N N 40 116.420 114.113 2.307 1
1 413 . 19 1 1 A 41 41 SER H H 41 8.301 8.865 -0.564 1
1 414 . 19 1 1 A 41 41 SER HA H 41 4.452 4.128 0.324 1
1 417 . 19 1 1 A 41 41 SER C C 41 173.899 174.862 -0.963 1
1 418 . 19 1 1 A 41 41 SER CA C 41 58.385 61.015 -2.630 1
1 419 . 19 1 1 A 41 41 SER CB C 41 64.120 63.589 0.531 1
1 420 . 19 1 1 A 41 41 SER N N 41 117.874 119.430 -1.556 1
1 1 . 20 1 1 A 6 6 SER HA H 6 4.423 4.476 -0.053 1
1 4 . 20 1 1 A 6 6 SER C C 6 174.984 175.275 -0.291 1
1 5 . 20 1 1 A 6 6 SER CA C 6 58.619 60.035 -1.416 1
1 6 . 20 1 1 A 6 6 SER CB C 6 63.809 64.566 -0.757 1
1 7 . 20 1 1 A 7 7 GLY H H 7 8.330 7.809 0.521 1
1 8 . 20 1 1 A 7 7 GLY HA2 H 7 3.853 4.007 -0.154 1
1 9 . 20 1 1 A 7 7 GLY HA3 H 7 3.853 4.008 -0.155 1
1 10 . 20 1 1 A 7 7 GLY C C 7 173.978 173.005 0.973 1
1 11 . 20 1 1 A 7 7 GLY CA C 7 45.124 45.429 -0.305 1
1 12 . 20 1 1 A 7 7 GLY N N 7 110.444 109.279 1.165 1
1 13 . 20 1 1 A 8 8 GLU H H 8 8.136 9.050 -0.914 1
1 14 . 20 1 1 A 8 8 GLU HA H 8 4.084 5.149 -1.065 1
1 19 . 20 1 1 A 8 8 GLU C C 8 176.363 174.196 2.167 1
1 20 . 20 1 1 A 8 8 GLU CA C 8 56.807 54.560 2.247 1
1 21 . 20 1 1 A 8 8 GLU CB C 8 30.323 33.335 -3.012 1
1 23 . 20 1 1 A 8 8 GLU N N 8 120.206 117.567 2.639 1
1 24 . 20 1 1 A 9 9 LYS H H 9 8.190 8.628 -0.438 1
1 25 . 20 1 1 A 9 9 LYS HA H 9 4.401 4.860 -0.459 1
1 34 . 20 1 1 A 9 9 LYS C C 9 173.724 176.139 -2.415 1
1 35 . 20 1 1 A 9 9 LYS CA C 9 53.773 52.779 0.994 1
1 36 . 20 1 1 A 9 9 LYS CB C 9 33.324 34.192 -0.868 1
1 40 . 20 1 1 A 9 9 LYS N N 9 121.893 122.116 -0.223 1
1 41 . 20 1 1 A 10 10 PRO HA H 10 4.176 4.313 -0.137 1
1 48 . 20 1 1 A 10 10 PRO C C 10 176.542 176.026 0.516 1
1 49 . 20 1 1 A 10 10 PRO CA C 10 63.392 64.957 -1.565 1
1 50 . 20 1 1 A 10 10 PRO CB C 10 32.297 31.595 0.702 1
1 53 . 20 1 1 A 11 11 TYR H H 11 7.766 7.189 0.577 1
1 54 . 20 1 1 A 11 11 TYR HA H 11 4.523 4.728 -0.205 1
1 61 . 20 1 1 A 11 11 TYR C C 11 174.276 176.400 -2.124 1
1 62 . 20 1 1 A 11 11 TYR CA C 11 58.052 58.550 -0.498 1
1 63 . 20 1 1 A 11 11 TYR CB C 11 38.185 39.721 -1.536 1
1 68 . 20 1 1 A 11 11 TYR N N 11 118.946 118.234 0.712 1
1 69 . 20 1 1 A 12 12 VAL H H 12 8.434 8.788 -0.354 1
1 70 . 20 1 1 A 12 12 VAL HA H 12 4.510 4.806 -0.296 1
1 78 . 20 1 1 A 12 12 VAL C C 12 175.589 175.451 0.138 1
1 79 . 20 1 1 A 12 12 VAL CA C 12 61.266 61.323 -0.057 1
1 80 . 20 1 1 A 12 12 VAL CB C 12 34.474 34.952 -0.478 1
1 83 . 20 1 1 A 12 12 VAL N N 12 125.129 122.971 2.158 1
1 84 . 20 1 1 A 13 13 CYS H H 13 9.288 9.332 -0.044 1
1 85 . 20 1 1 A 13 13 CYS HA H 13 4.486 4.476 0.010 1
1 88 . 20 1 1 A 13 13 CYS C C 13 177.453 175.972 1.481 1
1 89 . 20 1 1 A 13 13 CYS CA C 13 59.913 60.411 -0.498 1
1 90 . 20 1 1 A 13 13 CYS CB C 13 29.670 29.468 0.202 1
1 91 . 20 1 1 A 13 13 CYS N N 13 129.949 127.515 2.434 1
1 92 . 20 1 1 A 14 14 SER H H 14 9.359 8.817 0.542 1
1 93 . 20 1 1 A 14 14 SER HA H 14 4.194 4.677 -0.483 1
1 96 . 20 1 1 A 14 14 SER C C 14 174.334 174.576 -0.242 1
1 97 . 20 1 1 A 14 14 SER CA C 14 61.015 58.596 2.419 1
1 98 . 20 1 1 A 14 14 SER CB C 14 63.031 63.171 -0.140 1
1 99 . 20 1 1 A 14 14 SER N N 14 128.692 123.495 5.197 1
1 100 . 20 1 1 A 15 15 ASP H H 15 8.616 8.031 0.585 1
1 101 . 20 1 1 A 15 15 ASP HA H 15 4.495 4.801 -0.306 1
1 104 . 20 1 1 A 15 15 ASP C C 15 176.945 177.146 -0.201 1
1 105 . 20 1 1 A 15 15 ASP CA C 15 56.927 55.703 1.224 1
1 106 . 20 1 1 A 15 15 ASP CB C 15 41.300 42.112 -0.812 1
1 107 . 20 1 1 A 15 15 ASP N N 15 122.842 121.509 1.333 1
1 108 . 20 1 1 A 16 16 CYS H H 16 7.880 8.254 -0.374 1
1 109 . 20 1 1 A 16 16 CYS HA H 16 5.095 4.724 0.371 1
1 112 . 20 1 1 A 16 16 CYS C C 16 176.300 175.407 0.893 1
1 113 . 20 1 1 A 16 16 CYS CA C 16 58.641 59.610 -0.969 1
1 114 . 20 1 1 A 16 16 CYS CB C 16 32.470 30.083 2.387 1
1 115 . 20 1 1 A 16 16 CYS N N 16 114.753 115.555 -0.802 1
1 116 . 20 1 1 A 17 17 GLY H H 17 8.180 8.147 0.033 1
1 117 . 20 1 1 A 17 17 GLY HA2 H 17 3.657 4.098 -0.441 1
1 118 . 20 1 1 A 17 17 GLY HA3 H 17 4.150 4.115 0.035 1
1 119 . 20 1 1 A 17 17 GLY C C 17 173.556 174.387 -0.831 1
1 120 . 20 1 1 A 17 17 GLY CA C 17 46.062 45.182 0.880 1
1 121 . 20 1 1 A 17 17 GLY N N 17 113.552 110.059 3.493 1
1 122 . 20 1 1 A 18 18 LYS H H 18 7.992 8.070 -0.078 1
1 123 . 20 1 1 A 18 18 LYS HA H 18 3.843 4.414 -0.571 1
1 132 . 20 1 1 A 18 18 LYS C C 18 173.383 175.858 -2.475 1
1 133 . 20 1 1 A 18 18 LYS CA C 18 58.362 55.220 3.142 1
1 134 . 20 1 1 A 18 18 LYS CB C 18 33.336 33.391 -0.055 1
1 138 . 20 1 1 A 18 18 LYS N N 18 123.588 121.949 1.639 1
1 139 . 20 1 1 A 19 19 ALA H H 19 7.646 8.349 -0.703 1
1 140 . 20 1 1 A 19 19 ALA HA H 19 5.124 4.881 0.243 1
1 144 . 20 1 1 A 19 19 ALA C C 19 176.333 176.669 -0.336 1
1 145 . 20 1 1 A 19 19 ALA CA C 19 50.076 51.643 -1.567 1
1 146 . 20 1 1 A 19 19 ALA CB C 19 22.792 20.220 2.572 1
1 147 . 20 1 1 A 19 19 ALA N N 19 124.673 128.962 -4.289 1
1 148 . 20 1 1 A 20 20 PHE H H 20 8.857 9.186 -0.329 1
1 149 . 20 1 1 A 20 20 PHE HA H 20 4.653 4.934 -0.281 1
1 157 . 20 1 1 A 20 20 PHE C C 20 175.110 175.717 -0.607 1
1 158 . 20 1 1 A 20 20 PHE CA C 20 57.317 56.766 0.551 1
1 159 . 20 1 1 A 20 20 PHE CB C 20 43.327 43.217 0.110 1
1 165 . 20 1 1 A 20 20 PHE N N 20 117.387 117.652 -0.265 1
1 166 . 20 1 1 A 21 21 THR H H 21 8.729 8.846 -0.117 1
1 167 . 20 1 1 A 21 21 THR HA H 21 4.005 4.555 -0.550 1
1 172 . 20 1 1 A 21 21 THR C C 21 173.500 175.250 -1.750 1
1 173 . 20 1 1 A 21 21 THR CA C 21 66.328 64.516 1.812 1
1 174 . 20 1 1 A 21 21 THR CB C 21 69.605 69.498 0.107 1
1 176 . 20 1 1 A 21 21 THR N N 21 118.703 116.475 2.228 1
1 177 . 20 1 1 A 22 22 PHE H H 22 7.767 7.804 -0.037 1
1 178 . 20 1 1 A 22 22 PHE HA H 22 5.093 4.805 0.288 1
1 186 . 20 1 1 A 22 22 PHE C C 22 176.290 175.698 0.592 1
1 187 . 20 1 1 A 22 22 PHE CA C 22 55.753 57.268 -1.515 1
1 188 . 20 1 1 A 22 22 PHE CB C 22 42.016 40.973 1.043 1
1 194 . 20 1 1 A 22 22 PHE N N 22 114.810 117.987 -3.177 1
1 195 . 20 1 1 A 23 23 LYS H H 23 8.496 8.486 0.010 1
1 196 . 20 1 1 A 23 23 LYS HA H 23 2.922 2.973 -0.051 1
1 205 . 20 1 1 A 23 23 LYS C C 23 178.191 177.611 0.580 1
1 206 . 20 1 1 A 23 23 LYS CA C 23 59.444 59.778 -0.334 1
1 207 . 20 1 1 A 23 23 LYS CB C 23 31.569 31.775 -0.206 1
1 211 . 20 1 1 A 23 23 LYS N N 23 127.716 123.925 3.791 1
1 212 . 20 1 1 A 24 24 SER H H 24 8.519 7.900 0.619 1
1 213 . 20 1 1 A 24 24 SER HA H 24 3.838 3.982 -0.144 1
1 216 . 20 1 1 A 24 24 SER C C 24 176.778 177.202 -0.424 1
1 217 . 20 1 1 A 24 24 SER CA C 24 60.910 61.578 -0.668 1
1 218 . 20 1 1 A 24 24 SER CB C 24 61.337 62.930 -1.593 1
1 219 . 20 1 1 A 24 24 SER N N 24 111.904 114.089 -2.185 1
1 220 . 20 1 1 A 25 25 GLN H H 25 6.829 8.091 -1.262 1
1 221 . 20 1 1 A 25 25 GLN HA H 25 3.894 3.927 -0.033 1
1 228 . 20 1 1 A 25 25 GLN C C 25 178.758 178.235 0.523 1
1 229 . 20 1 1 A 25 25 GLN CA C 25 57.499 59.076 -1.577 1
1 230 . 20 1 1 A 25 25 GLN CB C 25 28.839 28.211 0.628 1
1 232 . 20 1 1 A 25 25 GLN N N 25 119.416 121.555 -2.139 1
1 234 . 20 1 1 A 26 26 LEU H H 26 6.900 7.365 -0.465 1
1 235 . 20 1 1 A 26 26 LEU HA H 26 3.218 2.898 0.320 1
1 245 . 20 1 1 A 26 26 LEU C C 26 177.322 178.535 -1.213 1
1 246 . 20 1 1 A 26 26 LEU CA C 26 57.675 57.657 0.018 1
1 247 . 20 1 1 A 26 26 LEU CB C 26 40.250 41.493 -1.243 1
1 251 . 20 1 1 A 26 26 LEU N N 26 122.040 120.992 1.048 1
1 252 . 20 1 1 A 27 27 ILE H H 27 7.967 7.950 0.017 1
1 253 . 20 1 1 A 27 27 ILE HA H 27 3.683 3.596 0.087 1
1 263 . 20 1 1 A 27 27 ILE C C 27 179.261 178.474 0.787 1
1 264 . 20 1 1 A 27 27 ILE CA C 27 64.506 65.299 -0.793 1
1 265 . 20 1 1 A 27 27 ILE CB C 27 37.362 37.643 -0.281 1
1 269 . 20 1 1 A 27 27 ILE N N 27 118.724 120.011 -1.287 1
1 270 . 20 1 1 A 28 28 VAL H H 28 7.247 8.040 -0.793 1
1 271 . 20 1 1 A 28 28 VAL HA H 28 3.569 3.481 0.088 1
1 279 . 20 1 1 A 28 28 VAL C C 28 179.175 178.413 0.762 1
1 280 . 20 1 1 A 28 28 VAL CA C 28 66.301 66.439 -0.138 1
1 281 . 20 1 1 A 28 28 VAL CB C 28 32.097 31.680 0.417 1
1 284 . 20 1 1 A 28 28 VAL N N 28 118.810 120.389 -1.579 1
1 285 . 20 1 1 A 29 29 HIS H H 29 7.552 8.050 -0.498 1
1 286 . 20 1 1 A 29 29 HIS HA H 29 4.109 4.039 0.070 1
1 291 . 20 1 1 A 29 29 HIS C C 29 175.916 176.425 -0.509 1
1 292 . 20 1 1 A 29 29 HIS CA C 29 59.370 59.946 -0.576 1
1 293 . 20 1 1 A 29 29 HIS CB C 29 28.596 29.861 -1.265 1
1 296 . 20 1 1 A 29 29 HIS N N 29 120.366 119.180 1.186 1
1 297 . 20 1 1 A 30 30 GLN H H 30 8.437 8.471 -0.034 1
1 298 . 20 1 1 A 30 30 GLN HA H 30 3.714 3.905 -0.191 1
1 305 . 20 1 1 A 30 30 GLN C C 30 177.902 179.237 -1.335 1
1 306 . 20 1 1 A 30 30 GLN CA C 30 59.344 58.805 0.539 1
1 307 . 20 1 1 A 30 30 GLN CB C 30 28.168 28.332 -0.164 1
1 309 . 20 1 1 A 30 30 GLN N N 30 115.477 116.983 -1.506 1
1 311 . 20 1 1 A 31 31 GLY H H 31 7.466 8.186 -0.720 1
1 312 . 20 1 1 A 31 31 GLY HA2 H 31 3.969 3.668 0.301 1
1 313 . 20 1 1 A 31 31 GLY HA3 H 31 3.850 3.690 0.160 1
1 314 . 20 1 1 A 31 31 GLY C C 31 175.915 175.922 -0.007 1
1 315 . 20 1 1 A 31 31 GLY CA C 31 46.630 47.232 -0.602 1
1 316 . 20 1 1 A 31 31 GLY N N 31 105.808 109.047 -3.239 1
1 317 . 20 1 1 A 32 32 ILE H H 32 7.806 8.265 -0.459 1
1 318 . 20 1 1 A 32 32 ILE HA H 32 4.000 3.732 0.268 1
1 328 . 20 1 1 A 32 32 ILE C C 32 177.427 177.606 -0.179 1
1 329 . 20 1 1 A 32 32 ILE CA C 32 62.775 64.383 -1.608 1
1 330 . 20 1 1 A 32 32 ILE CB C 32 37.641 37.319 0.322 1
1 334 . 20 1 1 A 32 32 ILE N N 32 117.910 120.233 -2.323 1
1 335 . 20 1 1 A 33 33 HIS H H 33 7.263 7.892 -0.629 1
1 336 . 20 1 1 A 33 33 HIS HA H 33 4.807 4.347 0.460 1
1 341 . 20 1 1 A 33 33 HIS C C 33 175.667 176.048 -0.381 1
1 342 . 20 1 1 A 33 33 HIS CA C 33 55.199 59.684 -4.485 1
1 343 . 20 1 1 A 33 33 HIS CB C 33 28.669 30.195 -1.526 1
1 346 . 20 1 1 A 33 33 HIS N N 33 118.200 120.062 -1.862 1
1 347 . 20 1 1 A 34 34 THR H H 34 7.742 7.478 0.264 1
1 348 . 20 1 1 A 34 34 THR HA H 34 4.299 4.295 0.004 1
1 353 . 20 1 1 A 34 34 THR C C 34 175.347 174.599 0.748 1
1 354 . 20 1 1 A 34 34 THR CA C 34 62.279 60.961 1.318 1
1 355 . 20 1 1 A 34 34 THR CB C 34 69.771 67.989 1.782 1
1 357 . 20 1 1 A 34 34 THR N N 34 111.663 110.145 1.518 1
1 358 . 20 1 1 A 35 35 GLY H H 35 8.208 8.497 -0.289 1
1 359 . 20 1 1 A 35 35 GLY HA2 H 35 3.956 4.037 -0.081 1
1 360 . 20 1 1 A 35 35 GLY HA3 H 35 3.956 4.045 -0.089 1
1 361 . 20 1 1 A 35 35 GLY C C 35 174.200 173.908 0.292 1
1 362 . 20 1 1 A 35 35 GLY CA C 35 45.464 44.713 0.751 1
1 363 . 20 1 1 A 35 35 GLY N N 35 110.990 112.248 -1.258 1
1 364 . 20 1 1 A 36 36 VAL H H 36 7.948 8.312 -0.364 1
1 365 . 20 1 1 A 36 36 VAL HA H 36 4.124 4.263 -0.139 1
1 373 . 20 1 1 A 36 36 VAL C C 36 176.269 175.906 0.363 1
1 374 . 20 1 1 A 36 36 VAL CA C 36 62.268 61.121 1.147 1
1 375 . 20 1 1 A 36 36 VAL CB C 36 32.701 30.483 2.218 1
1 378 . 20 1 1 A 36 36 VAL N N 36 119.178 122.030 -2.852 1
1 379 . 20 1 1 A 37 37 SER H H 37 8.363 8.514 -0.151 1
1 380 . 20 1 1 A 37 37 SER HA H 37 4.451 4.134 0.317 1
1 383 . 20 1 1 A 37 37 SER C C 37 174.469 173.396 1.073 1
1 384 . 20 1 1 A 37 37 SER CA C 37 58.264 59.495 -1.231 1
1 385 . 20 1 1 A 37 37 SER CB C 37 64.029 61.510 2.519 1
1 386 . 20 1 1 A 37 37 SER N N 37 119.506 122.392 -2.886 1
1 387 . 20 1 1 A 38 38 GLY H H 38 8.206 7.774 0.432 1
1 388 . 20 1 1 A 38 38 GLY HA2 H 38 4.113 4.220 -0.107 1
1 389 . 20 1 1 A 38 38 GLY HA3 H 38 4.011 4.220 -0.209 1
1 390 . 20 1 1 A 38 38 GLY C C 38 171.689 173.131 -1.442 1
1 391 . 20 1 1 A 38 38 GLY CA C 38 44.602 45.768 -1.166 1
1 392 . 20 1 1 A 38 38 GLY N N 38 110.830 107.261 3.569 1
1 393 . 20 1 1 A 39 39 PRO HA H 39 4.416 4.582 -0.166 1
1 400 . 20 1 1 A 39 39 PRO C C 39 177.347 176.508 0.839 1
1 401 . 20 1 1 A 39 39 PRO CA C 39 63.184 63.579 -0.395 1
1 402 . 20 1 1 A 39 39 PRO CB C 39 32.171 31.981 0.190 1
1 405 . 20 1 1 A 40 40 SER H H 40 8.503 7.766 0.737 1
1 406 . 20 1 1 A 40 40 SER HA H 40 4.455 4.242 0.213 1
1 409 . 20 1 1 A 40 40 SER C C 40 174.649 174.552 0.097 1
1 410 . 20 1 1 A 40 40 SER CA C 40 58.366 59.157 -0.791 1
1 411 . 20 1 1 A 40 40 SER CB C 40 63.806 63.238 0.568 1
1 412 . 20 1 1 A 40 40 SER N N 40 116.420 116.014 0.406 1
1 413 . 20 1 1 A 41 41 SER H H 41 8.301 9.095 -0.794 1
1 414 . 20 1 1 A 41 41 SER HA H 41 4.452 4.693 -0.241 1
1 417 . 20 1 1 A 41 41 SER C C 41 173.899 174.630 -0.731 1
1 418 . 20 1 1 A 41 41 SER CA C 41 58.385 57.392 0.993 1
1 419 . 20 1 1 A 41 41 SER CB C 41 64.120 63.499 0.621 1
1 420 . 20 1 1 A 41 41 SER N N 41 117.874 122.478 -4.604 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 1.251 1
2 1 1 1 "RMS(OBS, PRED)" CA 36 1.101 1
3 1 1 1 "RMS(OBS, PRED)" CB 31 1.400 1
4 1 1 1 "RMS(OBS, PRED)" H 33 0.462 1
5 1 1 1 "RMS(OBS, PRED)" HA 41 0.285 1
6 1 1 1 "RMS(OBS, PRED)" N 33 2.647 1
7 1 2 1 "RMS(OBS, PRED)" C 36 1.253 1
8 1 2 1 "RMS(OBS, PRED)" CA 36 1.312 1
9 1 2 1 "RMS(OBS, PRED)" CB 31 1.142 1
10 1 2 1 "RMS(OBS, PRED)" H 33 0.496 1
11 1 2 1 "RMS(OBS, PRED)" HA 41 0.293 1
12 1 2 1 "RMS(OBS, PRED)" N 33 3.181 1
13 1 3 1 "RMS(OBS, PRED)" C 36 1.228 1
14 1 3 1 "RMS(OBS, PRED)" CA 36 1.341 1
15 1 3 1 "RMS(OBS, PRED)" CB 31 1.070 1
16 1 3 1 "RMS(OBS, PRED)" H 33 0.429 1
17 1 3 1 "RMS(OBS, PRED)" HA 41 0.314 1
18 1 3 1 "RMS(OBS, PRED)" N 33 2.867 1
19 1 4 1 "RMS(OBS, PRED)" C 36 1.386 1
20 1 4 1 "RMS(OBS, PRED)" CA 36 1.299 1
21 1 4 1 "RMS(OBS, PRED)" CB 31 1.226 1
22 1 4 1 "RMS(OBS, PRED)" H 33 0.499 1
23 1 4 1 "RMS(OBS, PRED)" HA 41 0.343 1
24 1 4 1 "RMS(OBS, PRED)" N 33 3.064 1
25 1 5 1 "RMS(OBS, PRED)" C 36 1.239 1
26 1 5 1 "RMS(OBS, PRED)" CA 36 1.227 1
27 1 5 1 "RMS(OBS, PRED)" CB 31 1.383 1
28 1 5 1 "RMS(OBS, PRED)" H 33 0.488 1
29 1 5 1 "RMS(OBS, PRED)" HA 41 0.262 1
30 1 5 1 "RMS(OBS, PRED)" N 33 2.937 1
31 1 6 1 "RMS(OBS, PRED)" C 36 1.296 1
32 1 6 1 "RMS(OBS, PRED)" CA 36 1.187 1
33 1 6 1 "RMS(OBS, PRED)" CB 31 1.246 1
34 1 6 1 "RMS(OBS, PRED)" H 33 0.486 1
35 1 6 1 "RMS(OBS, PRED)" HA 41 0.311 1
36 1 6 1 "RMS(OBS, PRED)" N 33 3.114 1
37 1 7 1 "RMS(OBS, PRED)" C 36 1.259 1
38 1 7 1 "RMS(OBS, PRED)" CA 36 1.451 1
39 1 7 1 "RMS(OBS, PRED)" CB 31 1.185 1
40 1 7 1 "RMS(OBS, PRED)" H 33 0.470 1
41 1 7 1 "RMS(OBS, PRED)" HA 41 0.306 1
42 1 7 1 "RMS(OBS, PRED)" N 33 2.920 1
43 1 8 1 "RMS(OBS, PRED)" C 36 1.295 1
44 1 8 1 "RMS(OBS, PRED)" CA 36 1.456 1
45 1 8 1 "RMS(OBS, PRED)" CB 31 1.414 1
46 1 8 1 "RMS(OBS, PRED)" H 33 0.458 1
47 1 8 1 "RMS(OBS, PRED)" HA 41 0.290 1
48 1 8 1 "RMS(OBS, PRED)" N 33 2.545 1
49 1 9 1 "RMS(OBS, PRED)" C 36 1.251 1
50 1 9 1 "RMS(OBS, PRED)" CA 36 1.102 1
51 1 9 1 "RMS(OBS, PRED)" CB 31 1.157 1
52 1 9 1 "RMS(OBS, PRED)" H 33 0.498 1
53 1 9 1 "RMS(OBS, PRED)" HA 41 0.247 1
54 1 9 1 "RMS(OBS, PRED)" N 33 2.837 1
55 1 10 1 "RMS(OBS, PRED)" C 36 1.058 1
56 1 10 1 "RMS(OBS, PRED)" CA 36 1.345 1
57 1 10 1 "RMS(OBS, PRED)" CB 31 1.591 1
58 1 10 1 "RMS(OBS, PRED)" H 33 0.481 1
59 1 10 1 "RMS(OBS, PRED)" HA 41 0.297 1
60 1 10 1 "RMS(OBS, PRED)" N 33 2.858 1
61 1 11 1 "RMS(OBS, PRED)" C 36 1.262 1
62 1 11 1 "RMS(OBS, PRED)" CA 36 1.089 1
63 1 11 1 "RMS(OBS, PRED)" CB 31 1.232 1
64 1 11 1 "RMS(OBS, PRED)" H 33 0.380 1
65 1 11 1 "RMS(OBS, PRED)" HA 41 0.264 1
66 1 11 1 "RMS(OBS, PRED)" N 33 2.808 1
67 1 12 1 "RMS(OBS, PRED)" C 36 1.128 1
68 1 12 1 "RMS(OBS, PRED)" CA 36 1.221 1
69 1 12 1 "RMS(OBS, PRED)" CB 31 1.337 1
70 1 12 1 "RMS(OBS, PRED)" H 33 0.471 1
71 1 12 1 "RMS(OBS, PRED)" HA 41 0.295 1
72 1 12 1 "RMS(OBS, PRED)" N 33 2.688 1
73 1 13 1 "RMS(OBS, PRED)" C 36 1.353 1
74 1 13 1 "RMS(OBS, PRED)" CA 36 1.112 1
75 1 13 1 "RMS(OBS, PRED)" CB 31 1.161 1
76 1 13 1 "RMS(OBS, PRED)" H 33 0.467 1
77 1 13 1 "RMS(OBS, PRED)" HA 41 0.335 1
78 1 13 1 "RMS(OBS, PRED)" N 33 2.945 1
79 1 14 1 "RMS(OBS, PRED)" C 36 1.306 1
80 1 14 1 "RMS(OBS, PRED)" CA 36 1.039 1
81 1 14 1 "RMS(OBS, PRED)" CB 31 1.193 1
82 1 14 1 "RMS(OBS, PRED)" H 33 0.475 1
83 1 14 1 "RMS(OBS, PRED)" HA 41 0.303 1
84 1 14 1 "RMS(OBS, PRED)" N 33 2.781 1
85 1 15 1 "RMS(OBS, PRED)" C 36 1.086 1
86 1 15 1 "RMS(OBS, PRED)" CA 36 1.351 1
87 1 15 1 "RMS(OBS, PRED)" CB 31 1.297 1
88 1 15 1 "RMS(OBS, PRED)" H 33 0.418 1
89 1 15 1 "RMS(OBS, PRED)" HA 41 0.248 1
90 1 15 1 "RMS(OBS, PRED)" N 33 2.722 1
91 1 16 1 "RMS(OBS, PRED)" C 36 1.090 1
92 1 16 1 "RMS(OBS, PRED)" CA 36 1.325 1
93 1 16 1 "RMS(OBS, PRED)" CB 31 1.163 1
94 1 16 1 "RMS(OBS, PRED)" H 33 0.494 1
95 1 16 1 "RMS(OBS, PRED)" HA 41 0.291 1
96 1 16 1 "RMS(OBS, PRED)" N 33 2.747 1
97 1 17 1 "RMS(OBS, PRED)" C 36 1.133 1
98 1 17 1 "RMS(OBS, PRED)" CA 36 1.191 1
99 1 17 1 "RMS(OBS, PRED)" CB 31 1.164 1
100 1 17 1 "RMS(OBS, PRED)" H 33 0.497 1
101 1 17 1 "RMS(OBS, PRED)" HA 41 0.273 1
102 1 17 1 "RMS(OBS, PRED)" N 33 2.930 1
103 1 18 1 "RMS(OBS, PRED)" C 36 1.089 1
104 1 18 1 "RMS(OBS, PRED)" CA 36 1.576 1
105 1 18 1 "RMS(OBS, PRED)" CB 31 1.227 1
106 1 18 1 "RMS(OBS, PRED)" H 33 0.504 1
107 1 18 1 "RMS(OBS, PRED)" HA 41 0.264 1
108 1 18 1 "RMS(OBS, PRED)" N 33 2.403 1
109 1 19 1 "RMS(OBS, PRED)" C 36 1.269 1
110 1 19 1 "RMS(OBS, PRED)" CA 36 1.512 1
111 1 19 1 "RMS(OBS, PRED)" CB 31 1.429 1
112 1 19 1 "RMS(OBS, PRED)" H 33 0.519 1
113 1 19 1 "RMS(OBS, PRED)" HA 41 0.355 1
114 1 19 1 "RMS(OBS, PRED)" N 33 2.631 1
115 1 20 1 "RMS(OBS, PRED)" C 36 1.084 1
116 1 20 1 "RMS(OBS, PRED)" CA 36 1.454 1
117 1 20 1 "RMS(OBS, PRED)" CB 31 1.312 1
118 1 20 1 "RMS(OBS, PRED)" H 33 0.531 1
119 1 20 1 "RMS(OBS, PRED)" HA 41 0.314 1
120 1 20 1 "RMS(OBS, PRED)" N 33 2.523 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 6 6 SER HA H 6 4.423 4.649 -0.226 2
1 4 . 1 1 A 6 6 SER C C 6 174.984 173.992 0.992 2
1 5 . 1 1 A 6 6 SER CA C 6 58.619 58.357 0.262 2
1 6 . 1 1 A 6 6 SER CB C 6 63.809 64.681 -0.872 2
1 7 . 1 1 A 7 7 GLY H H 7 8.330 8.222 0.108 2
1 8 . 1 1 A 7 7 GLY HA2 H 7 3.853 4.093 -0.240 2
1 9 . 1 1 A 7 7 GLY HA3 H 7 3.853 4.099 -0.246 2
1 10 . 1 1 A 7 7 GLY C C 7 173.978 173.118 0.860 2
1 11 . 1 1 A 7 7 GLY CA C 7 45.124 45.171 -0.047 2
1 12 . 1 1 A 7 7 GLY N N 7 110.444 110.908 -0.464 2
1 13 . 1 1 A 8 8 GLU H H 8 8.136 8.497 -0.361 2
1 14 . 1 1 A 8 8 GLU HA H 8 4.084 4.674 -0.590 2
1 19 . 1 1 A 8 8 GLU C C 8 176.363 175.458 0.905 2
1 20 . 1 1 A 8 8 GLU CA C 8 56.807 55.615 1.192 2
1 21 . 1 1 A 8 8 GLU CB C 8 30.323 30.766 -0.443 2
1 23 . 1 1 A 8 8 GLU N N 8 120.206 121.288 -1.082 2
1 24 . 1 1 A 9 9 LYS H H 9 8.190 8.241 -0.051 2
1 25 . 1 1 A 9 9 LYS HA H 9 4.401 4.580 -0.180 2
1 34 . 1 1 A 9 9 LYS C C 9 173.724 176.439 -2.715 2
1 35 . 1 1 A 9 9 LYS CA C 9 53.773 53.824 -0.051 2
1 36 . 1 1 A 9 9 LYS CB C 9 33.324 32.794 0.530 2
1 40 . 1 1 A 9 9 LYS N N 9 121.893 123.707 -1.814 2
1 41 . 1 1 A 10 10 PRO HA H 10 4.176 4.314 -0.138 2
1 48 . 1 1 A 10 10 PRO C C 10 176.542 175.959 0.583 2
1 49 . 1 1 A 10 10 PRO CA C 10 63.392 65.014 -1.622 2
1 50 . 1 1 A 10 10 PRO CB C 10 32.297 31.609 0.688 2
1 53 . 1 1 A 11 11 TYR H H 11 7.766 7.541 0.225 2
1 54 . 1 1 A 11 11 TYR HA H 11 4.523 4.718 -0.195 2
1 61 . 1 1 A 11 11 TYR C C 11 174.276 176.415 -2.139 2
1 62 . 1 1 A 11 11 TYR CA C 11 58.052 58.465 -0.413 2
1 63 . 1 1 A 11 11 TYR CB C 11 38.185 39.798 -1.613 2
1 68 . 1 1 A 11 11 TYR N N 11 118.946 118.236 0.710 2
1 69 . 1 1 A 12 12 VAL H H 12 8.434 8.774 -0.340 2
1 70 . 1 1 A 12 12 VAL HA H 12 4.510 4.794 -0.284 2
1 78 . 1 1 A 12 12 VAL C C 12 175.589 175.228 0.361 2
1 79 . 1 1 A 12 12 VAL CA C 12 61.266 61.288 -0.022 2
1 80 . 1 1 A 12 12 VAL CB C 12 34.474 35.149 -0.675 2
1 83 . 1 1 A 12 12 VAL N N 12 125.129 122.397 2.732 2
1 84 . 1 1 A 13 13 CYS H H 13 9.288 9.196 0.092 2
1 85 . 1 1 A 13 13 CYS HA H 13 4.486 4.533 -0.047 2
1 88 . 1 1 A 13 13 CYS C C 13 177.453 175.578 1.875 2
1 89 . 1 1 A 13 13 CYS CA C 13 59.913 60.164 -0.251 2
1 90 . 1 1 A 13 13 CYS CB C 13 29.670 28.987 0.683 2
1 91 . 1 1 A 13 13 CYS N N 13 129.949 127.372 2.577 2
1 92 . 1 1 A 14 14 SER H H 14 9.359 8.920 0.439 2
1 93 . 1 1 A 14 14 SER HA H 14 4.194 4.561 -0.367 2
1 96 . 1 1 A 14 14 SER C C 14 174.334 175.385 -1.051 2
1 97 . 1 1 A 14 14 SER CA C 14 61.015 59.238 1.777 2
1 98 . 1 1 A 14 14 SER CB C 14 63.031 63.902 -0.871 2
1 99 . 1 1 A 14 14 SER N N 14 128.692 120.997 7.695 2
1 100 . 1 1 A 15 15 ASP H H 15 8.616 7.917 0.699 2
1 101 . 1 1 A 15 15 ASP HA H 15 4.495 4.434 0.061 2
1 104 . 1 1 A 15 15 ASP C C 15 176.945 177.585 -0.640 2
1 105 . 1 1 A 15 15 ASP CA C 15 56.927 56.491 0.436 2
1 106 . 1 1 A 15 15 ASP CB C 15 41.300 41.229 0.071 2
1 107 . 1 1 A 15 15 ASP N N 15 122.842 121.332 1.510 2
1 108 . 1 1 A 16 16 CYS H H 16 7.880 7.685 0.195 2
1 109 . 1 1 A 16 16 CYS HA H 16 5.095 4.632 0.463 2
1 112 . 1 1 A 16 16 CYS C C 16 176.300 175.403 0.897 2
1 113 . 1 1 A 16 16 CYS CA C 16 58.641 59.688 -1.047 2
1 114 . 1 1 A 16 16 CYS CB C 16 32.470 29.745 2.725 2
1 115 . 1 1 A 16 16 CYS N N 16 114.753 114.325 0.428 2
1 116 . 1 1 A 17 17 GLY H H 17 8.180 8.185 -0.005 2
1 117 . 1 1 A 17 17 GLY HA2 H 17 3.657 4.069 -0.412 2
1 118 . 1 1 A 17 17 GLY HA3 H 17 4.150 4.088 0.062 2
1 119 . 1 1 A 17 17 GLY C C 17 173.556 174.475 -0.919 2
1 120 . 1 1 A 17 17 GLY CA C 17 46.062 45.176 0.886 2
1 121 . 1 1 A 17 17 GLY N N 17 113.552 110.228 3.324 2
1 122 . 1 1 A 18 18 LYS H H 18 7.992 7.667 0.325 2
1 123 . 1 1 A 18 18 LYS HA H 18 3.843 4.292 -0.449 2
1 132 . 1 1 A 18 18 LYS C C 18 173.383 175.575 -2.192 2
1 133 . 1 1 A 18 18 LYS CA C 18 58.362 55.687 2.675 2
1 134 . 1 1 A 18 18 LYS CB C 18 33.336 33.323 0.013 2
1 138 . 1 1 A 18 18 LYS N N 18 123.588 121.988 1.600 2
1 139 . 1 1 A 19 19 ALA H H 19 7.646 8.247 -0.601 2
1 140 . 1 1 A 19 19 ALA HA H 19 5.124 5.189 -0.065 2
1 144 . 1 1 A 19 19 ALA C C 19 176.333 176.152 0.181 2
1 145 . 1 1 A 19 19 ALA CA C 19 50.076 50.936 -0.860 2
1 146 . 1 1 A 19 19 ALA CB C 19 22.792 21.260 1.532 2
1 147 . 1 1 A 19 19 ALA N N 19 124.673 127.291 -2.618 2
1 148 . 1 1 A 20 20 PHE H H 20 8.857 8.967 -0.110 2
1 149 . 1 1 A 20 20 PHE HA H 20 4.653 4.866 -0.213 2
1 157 . 1 1 A 20 20 PHE C C 20 175.110 175.700 -0.590 2
1 158 . 1 1 A 20 20 PHE CA C 20 57.317 56.754 0.563 2
1 159 . 1 1 A 20 20 PHE CB C 20 43.327 42.834 0.493 2
1 165 . 1 1 A 20 20 PHE N N 20 117.387 117.601 -0.214 2
1 166 . 1 1 A 21 21 THR H H 21 8.729 8.673 0.056 2
1 167 . 1 1 A 21 21 THR HA H 21 4.005 4.241 -0.236 2
1 172 . 1 1 A 21 21 THR C C 21 173.500 174.970 -1.470 2
1 173 . 1 1 A 21 21 THR CA C 21 66.328 65.312 1.016 2
1 174 . 1 1 A 21 21 THR CB C 21 69.605 68.724 0.881 2
1 176 . 1 1 A 21 21 THR N N 21 118.703 116.743 1.960 2
1 177 . 1 1 A 22 22 PHE H H 22 7.767 7.959 -0.192 2
1 178 . 1 1 A 22 22 PHE HA H 22 5.093 4.843 0.250 2
1 186 . 1 1 A 22 22 PHE C C 22 176.290 175.720 0.570 2
1 187 . 1 1 A 22 22 PHE CA C 22 55.753 57.346 -1.593 2
1 188 . 1 1 A 22 22 PHE CB C 22 42.016 40.971 1.045 2
1 194 . 1 1 A 22 22 PHE N N 22 114.810 117.955 -3.145 2
1 195 . 1 1 A 23 23 LYS H H 23 8.496 8.622 -0.126 2
1 196 . 1 1 A 23 23 LYS HA H 23 2.922 2.906 0.016 2
1 205 . 1 1 A 23 23 LYS C C 23 178.191 177.879 0.312 2
1 206 . 1 1 A 23 23 LYS CA C 23 59.444 59.558 -0.114 2
1 207 . 1 1 A 23 23 LYS CB C 23 31.569 31.898 -0.329 2
1 211 . 1 1 A 23 23 LYS N N 23 127.716 124.051 3.665 2
1 212 . 1 1 A 24 24 SER H H 24 8.519 8.064 0.455 2
1 213 . 1 1 A 24 24 SER HA H 24 3.838 4.022 -0.184 2
1 216 . 1 1 A 24 24 SER C C 24 176.778 176.973 -0.195 2
1 217 . 1 1 A 24 24 SER CA C 24 60.910 61.557 -0.647 2
1 218 . 1 1 A 24 24 SER CB C 24 61.337 62.755 -1.418 2
1 219 . 1 1 A 24 24 SER N N 24 111.904 115.076 -3.172 2
1 220 . 1 1 A 25 25 GLN H H 25 6.829 8.065 -1.236 2
1 221 . 1 1 A 25 25 GLN HA H 25 3.894 3.914 -0.020 2
1 228 . 1 1 A 25 25 GLN C C 25 178.758 178.108 0.650 2
1 229 . 1 1 A 25 25 GLN CA C 25 57.499 58.927 -1.428 2
1 230 . 1 1 A 25 25 GLN CB C 25 28.839 28.215 0.624 2
1 232 . 1 1 A 25 25 GLN N N 25 119.416 121.306 -1.890 2
1 234 . 1 1 A 26 26 LEU H H 26 6.900 7.484 -0.584 2
1 235 . 1 1 A 26 26 LEU HA H 26 3.218 3.043 0.175 2
1 245 . 1 1 A 26 26 LEU C C 26 177.322 178.555 -1.233 2
1 246 . 1 1 A 26 26 LEU CA C 26 57.675 57.683 -0.008 2
1 247 . 1 1 A 26 26 LEU CB C 26 40.250 41.619 -1.369 2
1 251 . 1 1 A 26 26 LEU N N 26 122.040 120.713 1.327 2
1 252 . 1 1 A 27 27 ILE H H 27 7.967 7.950 0.017 2
1 253 . 1 1 A 27 27 ILE HA H 27 3.683 3.616 0.067 2
1 263 . 1 1 A 27 27 ILE C C 27 179.261 178.505 0.756 2
1 264 . 1 1 A 27 27 ILE CA C 27 64.506 65.304 -0.798 2
1 265 . 1 1 A 27 27 ILE CB C 27 37.362 37.762 -0.400 2
1 269 . 1 1 A 27 27 ILE N N 27 118.724 120.062 -1.338 2
1 270 . 1 1 A 28 28 VAL H H 28 7.247 7.941 -0.694 2
1 271 . 1 1 A 28 28 VAL HA H 28 3.569 3.508 0.061 2
1 279 . 1 1 A 28 28 VAL C C 28 179.175 178.262 0.913 2
1 280 . 1 1 A 28 28 VAL CA C 28 66.301 66.206 0.095 2
1 281 . 1 1 A 28 28 VAL CB C 28 32.097 31.588 0.509 2
1 284 . 1 1 A 28 28 VAL N N 28 118.810 120.403 -1.593 2
1 285 . 1 1 A 29 29 HIS H H 29 7.552 7.934 -0.382 2
1 286 . 1 1 A 29 29 HIS HA H 29 4.109 4.034 0.075 2
1 291 . 1 1 A 29 29 HIS C C 29 175.916 176.661 -0.746 2
1 292 . 1 1 A 29 29 HIS CA C 29 59.370 59.888 -0.518 2
1 293 . 1 1 A 29 29 HIS CB C 29 28.596 29.619 -1.023 2
1 296 . 1 1 A 29 29 HIS N N 29 120.366 119.416 0.950 2
1 297 . 1 1 A 30 30 GLN H H 30 8.437 8.597 -0.160 2
1 298 . 1 1 A 30 30 GLN HA H 30 3.714 3.931 -0.217 2
1 305 . 1 1 A 30 30 GLN C C 30 177.902 179.242 -1.340 2
1 306 . 1 1 A 30 30 GLN CA C 30 59.344 58.690 0.654 2
1 307 . 1 1 A 30 30 GLN CB C 30 28.168 28.222 -0.054 2
1 309 . 1 1 A 30 30 GLN N N 30 115.477 117.099 -1.622 2
1 311 . 1 1 A 31 31 GLY H H 31 7.466 8.202 -0.736 2
1 312 . 1 1 A 31 31 GLY HA2 H 31 3.969 3.655 0.314 2
1 313 . 1 1 A 31 31 GLY HA3 H 31 3.850 3.678 0.172 2
1 314 . 1 1 A 31 31 GLY C C 31 175.915 175.877 0.038 2
1 315 . 1 1 A 31 31 GLY CA C 31 46.630 47.166 -0.536 2
1 316 . 1 1 A 31 31 GLY N N 31 105.808 108.729 -2.921 2
1 317 . 1 1 A 32 32 ILE H H 32 7.806 8.121 -0.315 2
1 318 . 1 1 A 32 32 ILE HA H 32 4.000 3.781 0.219 2
1 328 . 1 1 A 32 32 ILE C C 32 177.427 177.242 0.185 2
1 329 . 1 1 A 32 32 ILE CA C 32 62.775 63.999 -1.224 2
1 330 . 1 1 A 32 32 ILE CB C 32 37.641 37.370 0.271 2
1 334 . 1 1 A 32 32 ILE N N 32 117.910 119.807 -1.897 2
1 335 . 1 1 A 33 33 HIS H H 33 7.263 7.416 -0.153 2
1 336 . 1 1 A 33 33 HIS HA H 33 4.807 4.496 0.311 2
1 341 . 1 1 A 33 33 HIS C C 33 175.667 175.827 -0.160 2
1 342 . 1 1 A 33 33 HIS CA C 33 55.199 57.634 -2.435 2
1 343 . 1 1 A 33 33 HIS CB C 33 28.669 29.756 -1.087 2
1 346 . 1 1 A 33 33 HIS N N 33 118.200 119.901 -1.701 2
1 347 . 1 1 A 34 34 THR H H 34 7.742 7.657 0.084 2
1 348 . 1 1 A 34 34 THR HA H 34 4.299 4.361 -0.062 2
1 353 . 1 1 A 34 34 THR C C 34 175.347 174.710 0.637 2
1 354 . 1 1 A 34 34 THR CA C 34 62.279 62.225 0.054 2
1 355 . 1 1 A 34 34 THR CB C 34 69.771 69.451 0.320 2
1 357 . 1 1 A 34 34 THR N N 34 111.663 110.603 1.060 2
1 358 . 1 1 A 35 35 GLY H H 35 8.208 8.220 -0.012 2
1 359 . 1 1 A 35 35 GLY HA2 H 35 3.956 4.032 -0.076 2
1 360 . 1 1 A 35 35 GLY HA3 H 35 3.956 4.038 -0.082 2
1 361 . 1 1 A 35 35 GLY C C 35 174.200 173.744 0.456 2
1 362 . 1 1 A 35 35 GLY CA C 35 45.464 45.301 0.163 2
1 363 . 1 1 A 35 35 GLY N N 35 110.990 110.684 0.306 2
1 364 . 1 1 A 36 36 VAL H H 36 7.948 8.264 -0.316 2
1 365 . 1 1 A 36 36 VAL HA H 36 4.124 4.276 -0.152 2
1 373 . 1 1 A 36 36 VAL C C 36 176.269 175.353 0.916 2
1 374 . 1 1 A 36 36 VAL CA C 36 62.268 62.005 0.263 2
1 375 . 1 1 A 36 36 VAL CB C 36 32.701 32.554 0.147 2
1 378 . 1 1 A 36 36 VAL N N 36 119.178 121.447 -2.269 2
1 379 . 1 1 A 37 37 SER H H 37 8.363 8.620 -0.257 2
1 380 . 1 1 A 37 37 SER HA H 37 4.451 4.755 -0.304 2
1 383 . 1 1 A 37 37 SER C C 37 174.469 174.231 0.238 2
1 384 . 1 1 A 37 37 SER CA C 37 58.264 58.225 0.039 2
1 385 . 1 1 A 37 37 SER CB C 37 64.029 64.284 -0.255 2
1 386 . 1 1 A 37 37 SER N N 37 119.506 121.440 -1.934 2
1 387 . 1 1 A 38 38 GLY H H 38 8.206 8.362 -0.156 2
1 388 . 1 1 A 38 38 GLY HA2 H 38 4.113 4.136 -0.023 2
1 389 . 1 1 A 38 38 GLY HA3 H 38 4.011 4.138 -0.128 2
1 390 . 1 1 A 38 38 GLY C C 38 171.689 173.496 -1.807 2
1 391 . 1 1 A 38 38 GLY CA C 38 44.602 45.171 -0.569 2
1 392 . 1 1 A 38 38 GLY N N 38 110.830 111.878 -1.048 2
1 393 . 1 1 A 39 39 PRO HA H 39 4.416 4.570 -0.154 2
1 400 . 1 1 A 39 39 PRO C C 39 177.347 176.617 0.730 2
1 401 . 1 1 A 39 39 PRO CA C 39 63.184 63.318 -0.134 2
1 402 . 1 1 A 39 39 PRO CB C 39 32.171 31.852 0.319 2
1 405 . 1 1 A 40 40 SER H H 40 8.503 8.246 0.257 2
1 406 . 1 1 A 40 40 SER HA H 40 4.455 4.550 -0.095 2
1 409 . 1 1 A 40 40 SER C C 40 174.649 174.017 0.632 2
1 410 . 1 1 A 40 40 SER CA C 40 58.366 58.767 -0.401 2
1 411 . 1 1 A 40 40 SER CB C 40 63.806 63.854 -0.048 2
1 412 . 1 1 A 40 40 SER N N 40 116.420 115.954 0.466 2
1 413 . 1 1 A 41 41 SER H H 41 8.301 8.416 -0.115 2
1 414 . 1 1 A 41 41 SER HA H 41 4.452 4.582 -0.130 2
1 417 . 1 1 A 41 41 SER C C 41 173.899 174.886 -0.987 2
1 418 . 1 1 A 41 41 SER CA C 41 58.385 58.790 -0.405 2
1 419 . 1 1 A 41 41 SER CB C 41 64.120 63.724 0.396 2
1 420 . 1 1 A 41 41 SER N N 41 117.874 117.794 0.080 2
stop_
save_