data_10152_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10152
_Entry.PDB_ID 2EN7
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 7 7 GLY CA C 7 45.465 45.859 -0.394 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 4.004 4.205 -0.201 1
1 3 . 1 1 1 A 7 7 GLY C C 7 174.505 172.248 2.257 1
1 4 . 1 1 1 A 7 7 GLY HA2 H 7 4.004 4.194 -0.190 1
1 5 . 1 1 1 A 8 8 THR N N 8 112.992 118.753 -5.761 1
1 6 . 1 1 1 A 8 8 THR H H 8 8.116 8.364 -0.248 1
1 7 . 1 1 1 A 8 8 THR CA C 8 62.003 61.150 0.853 1
1 8 . 1 1 1 A 8 8 THR HA H 8 4.339 4.468 -0.129 1
1 9 . 1 1 1 A 8 8 THR CB C 8 69.816 68.180 1.636 1
1 15 . 1 1 1 A 8 8 THR C C 8 175.226 173.566 1.660 1
1 16 . 1 1 1 A 9 9 GLY N N 9 110.864 110.511 0.353 1
1 17 . 1 1 1 A 9 9 GLY H H 9 8.444 7.328 1.116 1
1 18 . 1 1 1 A 9 9 GLY CA C 9 45.365 45.564 -0.199 1
1 19 . 1 1 1 A 9 9 GLY HA3 H 9 3.928 4.158 -0.230 1
1 20 . 1 1 1 A 9 9 GLY C C 9 174.085 174.196 -0.111 1
1 21 . 1 1 1 A 9 9 GLY HA2 H 9 3.928 4.149 -0.221 1
1 22 . 1 1 1 A 10 10 MET N N 10 119.413 119.095 0.318 1
1 23 . 1 1 1 A 10 10 MET H H 10 8.136 8.731 -0.595 1
1 24 . 1 1 1 A 10 10 MET CA C 10 55.711 58.424 -2.713 1
1 25 . 1 1 1 A 10 10 MET HA H 10 4.375 4.422 -0.047 1
1 26 . 1 1 1 A 10 10 MET CB C 10 32.785 33.685 -0.900 1
1 34 . 1 1 1 A 10 10 MET C C 10 176.047 176.248 -0.201 1
1 37 . 1 1 1 A 11 11 LYS N N 11 122.314 116.709 5.605 1
1 38 . 1 1 1 A 11 11 LYS H H 11 8.236 8.092 0.144 1
1 39 . 1 1 1 A 11 11 LYS CA C 11 53.843 53.624 0.219 1
1 40 . 1 1 1 A 11 11 LYS HA H 11 4.511 4.564 -0.053 1
1 41 . 1 1 1 A 11 11 LYS CB C 11 32.984 32.848 0.136 1
1 49 . 1 1 1 A 11 11 LYS C C 11 173.828 176.199 -2.371 1
1 54 . 1 1 1 A 12 12 PRO CA C 12 63.240 65.660 -2.420 1
1 55 . 1 1 1 A 12 12 PRO HA H 12 4.296 4.166 0.130 1
1 56 . 1 1 1 A 12 12 PRO CB C 12 32.231 31.143 1.088 1
1 62 . 1 1 1 A 12 12 PRO C C 12 176.278 177.237 -0.959 1
1 66 . 1 1 1 A 13 13 TYR N N 13 119.354 117.091 2.263 1
1 67 . 1 1 1 A 13 13 TYR H H 13 7.989 8.212 -0.223 1
1 68 . 1 1 1 A 13 13 TYR CA C 13 57.665 57.177 0.488 1
1 69 . 1 1 1 A 13 13 TYR HA H 13 4.568 4.787 -0.219 1
1 70 . 1 1 1 A 13 13 TYR CB C 13 38.332 38.553 -0.221 1
1 80 . 1 1 1 A 13 13 TYR C C 13 174.439 176.009 -1.570 1
1 82 . 1 1 1 A 14 14 VAL N N 14 124.765 121.290 3.475 1
1 83 . 1 1 1 A 14 14 VAL H H 14 8.407 7.339 1.068 1
1 84 . 1 1 1 A 14 14 VAL CA C 14 61.341 62.897 -1.556 1
1 85 . 1 1 1 A 14 14 VAL HA H 14 4.583 4.416 0.167 1
1 86 . 1 1 1 A 14 14 VAL CB C 14 34.420 32.273 2.147 1
1 96 . 1 1 1 A 14 14 VAL C C 14 175.329 175.672 -0.343 1
1 97 . 1 1 1 A 15 15 CYS N N 15 128.696 126.293 2.403 1
1 98 . 1 1 1 A 15 15 CYS H H 15 9.225 9.173 0.052 1
1 99 . 1 1 1 A 15 15 CYS CA C 15 59.512 59.062 0.450 1
1 100 . 1 1 1 A 15 15 CYS HA H 15 4.512 4.632 -0.120 1
1 101 . 1 1 1 A 15 15 CYS CB C 15 29.777 28.105 1.672 1
1 103 . 1 1 1 A 15 15 CYS C C 15 176.992 176.033 0.959 1
1 105 . 1 1 1 A 16 16 ASN N N 16 130.445 126.200 4.245 1
1 106 . 1 1 1 A 16 16 ASN H H 16 9.373 8.966 0.407 1
1 107 . 1 1 1 A 16 16 ASN CA C 16 55.598 55.141 0.457 1
1 108 . 1 1 1 A 16 16 ASN HA H 16 4.521 4.640 -0.119 1
1 109 . 1 1 1 A 16 16 ASN CB C 16 38.593 38.125 0.468 1
1 114 . 1 1 1 A 16 16 ASN C C 16 175.261 176.326 -1.065 1
1 116 . 1 1 1 A 17 17 GLU N N 17 120.657 118.199 2.458 1
1 117 . 1 1 1 A 17 17 GLU H H 17 8.766 7.928 0.838 1
1 118 . 1 1 1 A 17 17 GLU CA C 17 58.253 58.417 -0.164 1
1 119 . 1 1 1 A 17 17 GLU HA H 17 4.225 4.301 -0.076 1
1 120 . 1 1 1 A 17 17 GLU CB C 17 29.552 30.592 -1.040 1
1 124 . 1 1 1 A 17 17 GLU C C 17 177.171 178.142 -0.971 1
1 127 . 1 1 1 A 18 18 CYS N N 18 114.840 115.342 -0.502 1
1 128 . 1 1 1 A 18 18 CYS H H 18 8.023 8.213 -0.190 1
1 129 . 1 1 1 A 18 18 CYS CA C 18 58.322 59.397 -1.075 1
1 130 . 1 1 1 A 18 18 CYS HA H 18 5.169 4.763 0.406 1
1 131 . 1 1 1 A 18 18 CYS CB C 18 32.619 30.338 2.281 1
1 133 . 1 1 1 A 18 18 CYS C C 18 176.373 175.697 0.676 1
1 135 . 1 1 1 A 19 19 GLY N N 19 113.504 110.279 3.225 1
1 136 . 1 1 1 A 19 19 GLY H H 19 8.164 8.548 -0.384 1
1 137 . 1 1 1 A 19 19 GLY CA C 19 46.263 45.051 1.212 1
1 138 . 1 1 1 A 19 19 GLY HA3 H 19 4.177 4.049 0.128 1
1 139 . 1 1 1 A 19 19 GLY C C 19 173.670 174.427 -0.757 1
1 140 . 1 1 1 A 19 19 GLY HA2 H 19 3.743 4.039 -0.296 1
1 141 . 1 1 1 A 20 20 LYS N N 20 122.939 122.621 0.318 1
1 142 . 1 1 1 A 20 20 LYS H H 20 7.950 7.588 0.362 1
1 143 . 1 1 1 A 20 20 LYS CA C 20 58.169 56.302 1.867 1
1 144 . 1 1 1 A 20 20 LYS HA H 20 3.947 4.057 -0.110 1
1 145 . 1 1 1 A 20 20 LYS CB C 20 33.712 32.713 0.999 1
1 153 . 1 1 1 A 20 20 LYS C C 20 173.404 175.801 -2.397 1
1 158 . 1 1 1 A 21 21 ALA N N 21 123.614 129.627 -6.013 1
1 159 . 1 1 1 A 21 21 ALA H H 21 7.752 8.289 -0.537 1
1 160 . 1 1 1 A 21 21 ALA CA C 21 50.174 50.961 -0.787 1
1 161 . 1 1 1 A 21 21 ALA HA H 21 5.114 5.161 -0.047 1
1 162 . 1 1 1 A 21 21 ALA CB C 21 22.563 20.754 1.809 1
1 166 . 1 1 1 A 21 21 ALA C C 21 176.523 176.621 -0.098 1
1 167 . 1 1 1 A 22 22 PHE N N 22 116.849 118.113 -1.264 1
1 168 . 1 1 1 A 22 22 PHE H H 22 8.926 8.957 -0.031 1
1 169 . 1 1 1 A 22 22 PHE CA C 22 57.347 57.108 0.239 1
1 170 . 1 1 1 A 22 22 PHE HA H 22 4.736 4.893 -0.157 1
1 171 . 1 1 1 A 22 22 PHE CB C 22 44.094 43.420 0.674 1
1 183 . 1 1 1 A 22 22 PHE C C 22 176.070 175.687 0.383 1
1 185 . 1 1 1 A 23 23 ARG N N 23 118.853 120.515 -1.662 1
1 186 . 1 1 1 A 23 23 ARG H H 23 9.278 9.082 0.196 1
1 187 . 1 1 1 A 23 23 ARG CA C 23 57.758 56.912 0.846 1
1 188 . 1 1 1 A 23 23 ARG HA H 23 4.507 4.386 0.121 1
1 189 . 1 1 1 A 23 23 ARG CB C 23 31.163 31.824 -0.661 1
1 195 . 1 1 1 A 23 23 ARG C C 23 175.555 175.844 -0.289 1
1 199 . 1 1 1 A 24 24 SER N N 24 109.867 114.499 -4.632 1
1 200 . 1 1 1 A 24 24 SER H H 24 7.445 8.027 -0.582 1
1 201 . 1 1 1 A 24 24 SER CA C 24 55.916 57.086 -1.170 1
1 202 . 1 1 1 A 24 24 SER HA H 24 4.716 4.191 0.525 1
1 203 . 1 1 1 A 24 24 SER CB C 24 66.155 66.070 0.085 1
1 205 . 1 1 1 A 24 24 SER C C 24 173.335 174.779 -1.444 1
1 207 . 1 1 1 A 25 25 LYS N N 25 125.390 124.258 1.132 1
1 208 . 1 1 1 A 25 25 LYS H H 25 8.308 9.027 -0.719 1
1 209 . 1 1 1 A 25 25 LYS CA C 25 59.004 59.032 -0.028 1
1 210 . 1 1 1 A 25 25 LYS HA H 25 3.212 4.260 -1.048 1
1 211 . 1 1 1 A 25 25 LYS CB C 25 31.811 32.157 -0.346 1
1 219 . 1 1 1 A 25 25 LYS C C 25 178.128 178.829 -0.701 1
1 224 . 1 1 1 A 26 26 SER N N 26 113.087 114.859 -1.772 1
1 225 . 1 1 1 A 26 26 SER H H 26 8.198 8.197 0.001 1
1 226 . 1 1 1 A 26 26 SER CA C 26 61.434 61.164 0.270 1
1 227 . 1 1 1 A 26 26 SER HA H 26 3.944 4.162 -0.218 1
1 228 . 1 1 1 A 26 26 SER CB C 26 61.936 62.357 -0.421 1
1 230 . 1 1 1 A 26 26 SER C C 26 176.875 176.294 0.581 1
1 232 . 1 1 1 A 27 27 TYR N N 27 119.500 119.327 0.173 1
1 233 . 1 1 1 A 27 27 TYR H H 27 7.262 7.311 -0.049 1
1 234 . 1 1 1 A 27 27 TYR CA C 27 59.906 61.147 -1.241 1
1 235 . 1 1 1 A 27 27 TYR HA H 27 4.245 4.235 0.010 1
1 236 . 1 1 1 A 27 27 TYR CB C 27 37.518 38.079 -0.561 1
1 246 . 1 1 1 A 27 27 TYR C C 27 178.410 178.053 0.357 1
1 248 . 1 1 1 A 28 28 LEU N N 28 122.215 120.801 1.414 1
1 249 . 1 1 1 A 28 28 LEU H H 28 7.340 7.481 -0.141 1
1 250 . 1 1 1 A 28 28 LEU CA C 28 58.160 56.945 1.215 1
1 251 . 1 1 1 A 28 28 LEU HA H 28 3.372 2.969 0.403 1
1 252 . 1 1 1 A 28 28 LEU CB C 28 40.641 41.839 -1.198 1
1 264 . 1 1 1 A 28 28 LEU C C 28 178.010 178.464 -0.454 1
1 266 . 1 1 1 A 29 29 ILE N N 29 121.146 118.731 2.415 1
1 267 . 1 1 1 A 29 29 ILE H H 29 8.364 7.987 0.377 1
1 268 . 1 1 1 A 29 29 ILE CA C 29 65.133 65.135 -0.002 1
1 269 . 1 1 1 A 29 29 ILE HA H 29 3.650 3.627 0.023 1
1 270 . 1 1 1 A 29 29 ILE CB C 29 37.476 37.878 -0.402 1
1 282 . 1 1 1 A 29 29 ILE C C 29 179.053 178.277 0.776 1
1 284 . 1 1 1 A 30 30 ILE N N 30 119.869 117.264 2.605 1
1 285 . 1 1 1 A 30 30 ILE H H 30 7.447 7.550 -0.103 1
1 286 . 1 1 1 A 30 30 ILE CA C 30 65.067 63.414 1.653 1
1 287 . 1 1 1 A 30 30 ILE HA H 30 3.513 3.964 -0.451 1
1 288 . 1 1 1 A 30 30 ILE CB C 30 38.321 37.476 0.845 1
1 300 . 1 1 1 A 30 30 ILE C C 30 178.755 177.633 1.122 1
1 302 . 1 1 1 A 31 31 HIS N N 31 119.137 121.631 -2.494 1
1 303 . 1 1 1 A 31 31 HIS H H 31 7.717 8.042 -0.325 1
1 304 . 1 1 1 A 31 31 HIS CA C 31 59.468 58.977 0.491 1
1 305 . 1 1 1 A 31 31 HIS HA H 31 4.231 4.275 -0.044 1
1 306 . 1 1 1 A 31 31 HIS CB C 31 28.172 30.150 -1.978 1
1 312 . 1 1 1 A 31 31 HIS C C 31 178.382 177.272 1.110 1
1 314 . 1 1 1 A 32 32 THR N N 32 116.707 114.942 1.765 1
1 315 . 1 1 1 A 32 32 THR H H 32 9.007 8.792 0.215 1
1 316 . 1 1 1 A 32 32 THR CA C 32 66.925 66.500 0.425 1
1 317 . 1 1 1 A 32 32 THR HA H 32 3.710 4.235 -0.525 1
1 318 . 1 1 1 A 32 32 THR CB C 32 69.079 68.833 0.246 1
1 324 . 1 1 1 A 32 32 THR C C 32 176.003 176.760 -0.757 1
1 325 . 1 1 1 A 33 33 ARG N N 33 119.936 120.702 -0.766 1
1 326 . 1 1 1 A 33 33 ARG H H 33 7.256 8.185 -0.929 1
1 327 . 1 1 1 A 33 33 ARG CA C 33 58.571 58.781 -0.210 1
1 328 . 1 1 1 A 33 33 ARG HA H 33 4.219 4.122 0.097 1
1 329 . 1 1 1 A 33 33 ARG CB C 33 29.786 29.889 -0.103 1
1 335 . 1 1 1 A 33 33 ARG C C 33 178.241 178.485 -0.244 1
1 339 . 1 1 1 A 34 34 THR N N 34 109.982 114.762 -4.780 1
1 340 . 1 1 1 A 34 34 THR H H 34 7.821 8.214 -0.393 1
1 341 . 1 1 1 A 34 34 THR CA C 34 64.062 65.229 -1.167 1
1 342 . 1 1 1 A 34 34 THR HA H 34 4.111 3.925 0.186 1
1 343 . 1 1 1 A 34 34 THR CB C 34 69.241 68.784 0.457 1
1 349 . 1 1 1 A 34 34 THR C C 34 175.691 176.404 -0.713 1
1 350 . 1 1 1 A 35 35 HIS N N 35 118.562 119.302 -0.740 1
1 351 . 1 1 1 A 35 35 HIS H H 35 7.303 8.083 -0.780 1
1 352 . 1 1 1 A 35 35 HIS CA C 35 55.753 58.526 -2.773 1
1 353 . 1 1 1 A 35 35 HIS HA H 35 4.833 4.447 0.386 1
1 354 . 1 1 1 A 35 35 HIS CB C 35 28.760 29.721 -0.961 1
1 360 . 1 1 1 A 35 35 HIS C C 35 175.857 176.337 -0.480 1
1 362 . 1 1 1 A 36 36 THR N N 36 111.405 110.475 0.930 1
1 363 . 1 1 1 A 36 36 THR H H 36 7.836 8.147 -0.311 1
1 364 . 1 1 1 A 36 36 THR CA C 36 62.358 61.785 0.573 1
1 365 . 1 1 1 A 36 36 THR HA H 36 4.359 4.297 0.062 1
1 366 . 1 1 1 A 36 36 THR CB C 36 69.861 68.680 1.181 1
1 372 . 1 1 1 A 36 36 THR C C 36 175.557 175.210 0.347 1
1 373 . 1 1 1 A 37 37 GLY N N 37 110.788 110.807 -0.019 1
1 374 . 1 1 1 A 37 37 GLY H H 37 8.256 7.956 0.300 1
1 375 . 1 1 1 A 37 37 GLY CA C 37 45.471 45.968 -0.497 1
1 376 . 1 1 1 A 37 37 GLY HA3 H 37 3.933 3.982 -0.049 1
1 377 . 1 1 1 A 37 37 GLY C C 37 174.315 174.560 -0.245 1
1 378 . 1 1 1 A 37 37 GLY HA2 H 37 4.037 3.969 0.068 1
1 379 . 1 1 1 A 38 38 GLU N N 38 120.671 119.267 1.404 1
1 380 . 1 1 1 A 38 38 GLU H H 38 8.139 7.806 0.333 1
1 381 . 1 1 1 A 38 38 GLU CA C 38 56.638 57.691 -1.053 1
1 382 . 1 1 1 A 38 38 GLU HA H 38 4.271 4.439 -0.168 1
1 383 . 1 1 1 A 38 38 GLU CB C 38 30.487 30.775 -0.288 1
1 387 . 1 1 1 A 38 38 GLU C C 38 176.506 178.552 -2.046 1
1 390 . 1 1 1 A 39 39 SER N N 39 116.808 118.044 -1.236 1
1 391 . 1 1 1 A 39 39 SER H H 39 8.416 8.242 0.174 1
1 392 . 1 1 1 A 39 39 SER CA C 39 58.427 62.481 -4.054 1
1 393 . 1 1 1 A 39 39 SER HA H 39 4.440 4.115 0.325 1
1 394 . 1 1 1 A 39 39 SER CB C 39 64.030 62.674 1.356 1
1 396 . 1 1 1 A 39 39 SER C C 39 174.564 177.198 -2.634 1
1 398 . 1 1 1 A 40 40 GLY N N 40 110.559 109.658 0.901 1
1 399 . 1 1 1 A 40 40 GLY H H 40 8.236 8.253 -0.017 1
1 400 . 1 1 1 A 40 40 GLY CA C 40 44.652 47.790 -3.138 1
1 401 . 1 1 1 A 40 40 GLY HA3 H 40 4.045 3.771 0.274 1
1 402 . 1 1 1 A 40 40 GLY C C 40 171.663 174.611 -2.948 1
1 403 . 1 1 1 A 40 40 GLY HA2 H 40 4.139 3.770 0.369 1
1 404 . 1 1 1 A 41 41 PRO CA C 41 63.186 62.815 0.371 1
1 405 . 1 1 1 A 41 41 PRO HA H 41 4.459 4.660 -0.201 1
1 406 . 1 1 1 A 41 41 PRO CB C 41 32.141 32.722 -0.581 1
1 412 . 1 1 1 A 41 41 PRO C C 41 177.354 175.192 2.162 1
1 416 . 1 1 1 A 42 42 SER N N 42 116.533 117.355 -0.822 1
1 417 . 1 1 1 A 42 42 SER H H 42 8.540 8.865 -0.325 1
1 418 . 1 1 1 A 42 42 SER CA C 42 58.357 56.862 1.495 1
1 419 . 1 1 1 A 42 42 SER HA H 42 4.458 4.893 -0.435 1
1 420 . 1 1 1 A 42 42 SER CB C 42 63.799 65.024 -1.225 1
1 422 . 1 1 1 A 42 42 SER C C 42 174.657 171.954 2.703 1
1 424 . 1 1 1 A 43 43 SER N N 43 117.855 117.332 0.523 1
1 425 . 1 1 1 A 43 43 SER H H 43 8.309 8.877 -0.568 1
1 426 . 1 1 1 A 43 43 SER CA C 43 58.342 56.171 2.171 1
1 427 . 1 1 1 A 43 43 SER HA H 43 4.451 5.183 -0.732 1
1 428 . 1 1 1 A 43 43 SER CB C 43 64.100 65.636 -1.536 1
1 430 . 1 1 1 A 43 43 SER C C 43 173.896 174.328 -0.432 1
1 1 . 2 1 1 A 7 7 GLY CA C 7 45.465 45.598 -0.133 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 4.004 4.080 -0.076 1
1 3 . 2 1 1 A 7 7 GLY C C 7 174.505 172.631 1.874 1
1 4 . 2 1 1 A 7 7 GLY HA2 H 7 4.004 4.080 -0.076 1
1 5 . 2 1 1 A 8 8 THR N N 8 112.992 121.530 -8.538 1
1 6 . 2 1 1 A 8 8 THR H H 8 8.116 8.897 -0.781 1
1 7 . 2 1 1 A 8 8 THR CA C 8 62.003 60.796 1.207 1
1 8 . 2 1 1 A 8 8 THR HA H 8 4.339 4.725 -0.386 1
1 9 . 2 1 1 A 8 8 THR CB C 8 69.816 68.755 1.061 1
1 15 . 2 1 1 A 8 8 THR C C 8 175.226 173.420 1.806 1
1 16 . 2 1 1 A 9 9 GLY N N 9 110.864 112.992 -2.128 1
1 17 . 2 1 1 A 9 9 GLY H H 9 8.444 8.852 -0.408 1
1 18 . 2 1 1 A 9 9 GLY CA C 9 45.365 44.847 0.518 1
1 19 . 2 1 1 A 9 9 GLY HA3 H 9 3.928 4.172 -0.244 1
1 20 . 2 1 1 A 9 9 GLY C C 9 174.085 172.658 1.427 1
1 21 . 2 1 1 A 9 9 GLY HA2 H 9 3.928 4.171 -0.243 1
1 22 . 2 1 1 A 10 10 MET N N 10 119.413 124.615 -5.202 1
1 23 . 2 1 1 A 10 10 MET H H 10 8.136 8.996 -0.860 1
1 24 . 2 1 1 A 10 10 MET CA C 10 55.711 54.002 1.709 1
1 25 . 2 1 1 A 10 10 MET HA H 10 4.375 5.358 -0.983 1
1 26 . 2 1 1 A 10 10 MET CB C 10 32.785 37.275 -4.490 1
1 34 . 2 1 1 A 10 10 MET C C 10 176.047 174.562 1.485 1
1 37 . 2 1 1 A 11 11 LYS N N 11 122.314 122.239 0.075 1
1 38 . 2 1 1 A 11 11 LYS H H 11 8.236 8.604 -0.368 1
1 39 . 2 1 1 A 11 11 LYS CA C 11 53.843 53.129 0.714 1
1 40 . 2 1 1 A 11 11 LYS HA H 11 4.511 4.756 -0.245 1
1 41 . 2 1 1 A 11 11 LYS CB C 11 32.984 33.671 -0.687 1
1 49 . 2 1 1 A 11 11 LYS C C 11 173.828 176.121 -2.293 1
1 54 . 2 1 1 A 12 12 PRO CA C 12 63.240 65.657 -2.417 1
1 55 . 2 1 1 A 12 12 PRO HA H 12 4.296 4.157 0.139 1
1 56 . 2 1 1 A 12 12 PRO CB C 12 32.231 31.137 1.094 1
1 62 . 2 1 1 A 12 12 PRO C C 12 176.278 177.148 -0.870 1
1 66 . 2 1 1 A 13 13 TYR N N 13 119.354 117.228 2.126 1
1 67 . 2 1 1 A 13 13 TYR H H 13 7.989 8.207 -0.218 1
1 68 . 2 1 1 A 13 13 TYR CA C 13 57.665 57.618 0.047 1
1 69 . 2 1 1 A 13 13 TYR HA H 13 4.568 4.783 -0.215 1
1 70 . 2 1 1 A 13 13 TYR CB C 13 38.332 38.762 -0.430 1
1 80 . 2 1 1 A 13 13 TYR C C 13 174.439 176.034 -1.595 1
1 82 . 2 1 1 A 14 14 VAL N N 14 124.765 120.899 3.866 1
1 83 . 2 1 1 A 14 14 VAL H H 14 8.407 7.382 1.025 1
1 84 . 2 1 1 A 14 14 VAL CA C 14 61.341 62.845 -1.504 1
1 85 . 2 1 1 A 14 14 VAL HA H 14 4.583 4.448 0.135 1
1 86 . 2 1 1 A 14 14 VAL CB C 14 34.420 32.325 2.095 1
1 96 . 2 1 1 A 14 14 VAL C C 14 175.329 175.966 -0.637 1
1 97 . 2 1 1 A 15 15 CYS N N 15 128.696 127.097 1.599 1
1 98 . 2 1 1 A 15 15 CYS H H 15 9.225 9.207 0.018 1
1 99 . 2 1 1 A 15 15 CYS CA C 15 59.512 59.856 -0.344 1
1 100 . 2 1 1 A 15 15 CYS HA H 15 4.512 4.564 -0.052 1
1 101 . 2 1 1 A 15 15 CYS CB C 15 29.777 28.819 0.958 1
1 103 . 2 1 1 A 15 15 CYS C C 15 176.992 176.466 0.526 1
1 105 . 2 1 1 A 16 16 ASN N N 16 130.445 127.045 3.400 1
1 106 . 2 1 1 A 16 16 ASN H H 16 9.373 9.382 -0.009 1
1 107 . 2 1 1 A 16 16 ASN CA C 16 55.598 53.169 2.429 1
1 108 . 2 1 1 A 16 16 ASN HA H 16 4.521 5.026 -0.505 1
1 109 . 2 1 1 A 16 16 ASN CB C 16 38.593 38.530 0.063 1
1 114 . 2 1 1 A 16 16 ASN C C 16 175.261 176.302 -1.041 1
1 116 . 2 1 1 A 17 17 GLU N N 17 120.657 119.519 1.138 1
1 117 . 2 1 1 A 17 17 GLU H H 17 8.766 8.006 0.760 1
1 118 . 2 1 1 A 17 17 GLU CA C 17 58.253 57.039 1.214 1
1 119 . 2 1 1 A 17 17 GLU HA H 17 4.225 4.550 -0.325 1
1 120 . 2 1 1 A 17 17 GLU CB C 17 29.552 31.898 -2.346 1
1 124 . 2 1 1 A 17 17 GLU C C 17 177.171 178.063 -0.892 1
1 127 . 2 1 1 A 18 18 CYS N N 18 114.840 115.094 -0.254 1
1 128 . 2 1 1 A 18 18 CYS H H 18 8.023 8.203 -0.180 1
1 129 . 2 1 1 A 18 18 CYS CA C 18 58.322 59.260 -0.938 1
1 130 . 2 1 1 A 18 18 CYS HA H 18 5.169 4.752 0.417 1
1 131 . 2 1 1 A 18 18 CYS CB C 18 32.619 30.600 2.019 1
1 133 . 2 1 1 A 18 18 CYS C C 18 176.373 175.820 0.553 1
1 135 . 2 1 1 A 19 19 GLY N N 19 113.504 110.316 3.188 1
1 136 . 2 1 1 A 19 19 GLY H H 19 8.164 8.175 -0.011 1
1 137 . 2 1 1 A 19 19 GLY CA C 19 46.263 45.237 1.026 1
1 138 . 2 1 1 A 19 19 GLY HA3 H 19 4.177 4.027 0.150 1
1 139 . 2 1 1 A 19 19 GLY C C 19 173.670 174.417 -0.747 1
1 140 . 2 1 1 A 19 19 GLY HA2 H 19 3.743 4.014 -0.271 1
1 141 . 2 1 1 A 20 20 LYS N N 20 122.939 122.563 0.376 1
1 142 . 2 1 1 A 20 20 LYS H H 20 7.950 7.651 0.299 1
1 143 . 2 1 1 A 20 20 LYS CA C 20 58.169 56.135 2.034 1
1 144 . 2 1 1 A 20 20 LYS HA H 20 3.947 4.126 -0.179 1
1 145 . 2 1 1 A 20 20 LYS CB C 20 33.712 32.557 1.155 1
1 153 . 2 1 1 A 20 20 LYS C C 20 173.404 175.617 -2.213 1
1 158 . 2 1 1 A 21 21 ALA N N 21 123.614 129.837 -6.223 1
1 159 . 2 1 1 A 21 21 ALA H H 21 7.752 8.273 -0.521 1
1 160 . 2 1 1 A 21 21 ALA CA C 21 50.174 51.169 -0.995 1
1 161 . 2 1 1 A 21 21 ALA HA H 21 5.114 5.058 0.056 1
1 162 . 2 1 1 A 21 21 ALA CB C 21 22.563 20.761 1.802 1
1 166 . 2 1 1 A 21 21 ALA C C 21 176.523 176.555 -0.032 1
1 167 . 2 1 1 A 22 22 PHE N N 22 116.849 117.618 -0.769 1
1 168 . 2 1 1 A 22 22 PHE H H 22 8.926 8.872 0.054 1
1 169 . 2 1 1 A 22 22 PHE CA C 22 57.347 57.013 0.334 1
1 170 . 2 1 1 A 22 22 PHE HA H 22 4.736 4.870 -0.134 1
1 171 . 2 1 1 A 22 22 PHE CB C 22 44.094 43.725 0.369 1
1 183 . 2 1 1 A 22 22 PHE C C 22 176.070 175.821 0.249 1
1 185 . 2 1 1 A 23 23 ARG N N 23 118.853 121.969 -3.116 1
1 186 . 2 1 1 A 23 23 ARG H H 23 9.278 8.997 0.281 1
1 187 . 2 1 1 A 23 23 ARG CA C 23 57.758 57.178 0.580 1
1 188 . 2 1 1 A 23 23 ARG HA H 23 4.507 4.196 0.311 1
1 189 . 2 1 1 A 23 23 ARG CB C 23 31.163 31.621 -0.458 1
1 195 . 2 1 1 A 23 23 ARG C C 23 175.555 175.133 0.422 1
1 199 . 2 1 1 A 24 24 SER N N 24 109.867 111.937 -2.070 1
1 200 . 2 1 1 A 24 24 SER H H 24 7.445 8.119 -0.674 1
1 201 . 2 1 1 A 24 24 SER CA C 24 55.916 57.172 -1.256 1
1 202 . 2 1 1 A 24 24 SER HA H 24 4.716 4.427 0.289 1
1 203 . 2 1 1 A 24 24 SER CB C 24 66.155 66.406 -0.251 1
1 205 . 2 1 1 A 24 24 SER C C 24 173.335 174.419 -1.084 1
1 207 . 2 1 1 A 25 25 LYS N N 25 125.390 125.667 -0.277 1
1 208 . 2 1 1 A 25 25 LYS H H 25 8.308 8.909 -0.601 1
1 209 . 2 1 1 A 25 25 LYS CA C 25 59.004 60.219 -1.215 1
1 210 . 2 1 1 A 25 25 LYS HA H 25 3.212 4.142 -0.930 1
1 211 . 2 1 1 A 25 25 LYS CB C 25 31.811 32.453 -0.642 1
1 219 . 2 1 1 A 25 25 LYS C C 25 178.128 178.173 -0.045 1
1 224 . 2 1 1 A 26 26 SER N N 26 113.087 115.605 -2.518 1
1 225 . 2 1 1 A 26 26 SER H H 26 8.198 8.324 -0.126 1
1 226 . 2 1 1 A 26 26 SER CA C 26 61.434 61.258 0.176 1
1 227 . 2 1 1 A 26 26 SER HA H 26 3.944 4.266 -0.322 1
1 228 . 2 1 1 A 26 26 SER CB C 26 61.936 62.545 -0.609 1
1 230 . 2 1 1 A 26 26 SER C C 26 176.875 176.410 0.465 1
1 232 . 2 1 1 A 27 27 TYR N N 27 119.500 119.689 -0.189 1
1 233 . 2 1 1 A 27 27 TYR H H 27 7.262 7.606 -0.344 1
1 234 . 2 1 1 A 27 27 TYR CA C 27 59.906 60.961 -1.055 1
1 235 . 2 1 1 A 27 27 TYR HA H 27 4.245 4.224 0.021 1
1 236 . 2 1 1 A 27 27 TYR CB C 27 37.518 38.273 -0.755 1
1 246 . 2 1 1 A 27 27 TYR C C 27 178.410 177.951 0.459 1
1 248 . 2 1 1 A 28 28 LEU N N 28 122.215 120.423 1.792 1
1 249 . 2 1 1 A 28 28 LEU H H 28 7.340 7.749 -0.409 1
1 250 . 2 1 1 A 28 28 LEU CA C 28 58.160 57.021 1.139 1
1 251 . 2 1 1 A 28 28 LEU HA H 28 3.372 3.010 0.362 1
1 252 . 2 1 1 A 28 28 LEU CB C 28 40.641 41.365 -0.724 1
1 264 . 2 1 1 A 28 28 LEU C C 28 178.010 178.617 -0.607 1
1 266 . 2 1 1 A 29 29 ILE N N 29 121.146 118.745 2.401 1
1 267 . 2 1 1 A 29 29 ILE H H 29 8.364 7.873 0.491 1
1 268 . 2 1 1 A 29 29 ILE CA C 29 65.133 65.021 0.112 1
1 269 . 2 1 1 A 29 29 ILE HA H 29 3.650 3.698 -0.048 1
1 270 . 2 1 1 A 29 29 ILE CB C 29 37.476 37.896 -0.420 1
1 282 . 2 1 1 A 29 29 ILE C C 29 179.053 178.495 0.558 1
1 284 . 2 1 1 A 30 30 ILE N N 30 119.869 117.406 2.463 1
1 285 . 2 1 1 A 30 30 ILE H H 30 7.447 7.615 -0.168 1
1 286 . 2 1 1 A 30 30 ILE CA C 30 65.067 63.562 1.505 1
1 287 . 2 1 1 A 30 30 ILE HA H 30 3.513 3.941 -0.428 1
1 288 . 2 1 1 A 30 30 ILE CB C 30 38.321 37.492 0.829 1
1 300 . 2 1 1 A 30 30 ILE C C 30 178.755 177.641 1.114 1
1 302 . 2 1 1 A 31 31 HIS N N 31 119.137 122.190 -3.053 1
1 303 . 2 1 1 A 31 31 HIS H H 31 7.717 8.046 -0.329 1
1 304 . 2 1 1 A 31 31 HIS CA C 31 59.468 59.033 0.435 1
1 305 . 2 1 1 A 31 31 HIS HA H 31 4.231 4.280 -0.049 1
1 306 . 2 1 1 A 31 31 HIS CB C 31 28.172 30.318 -2.146 1
1 312 . 2 1 1 A 31 31 HIS C C 31 178.382 177.308 1.074 1
1 314 . 2 1 1 A 32 32 THR N N 32 116.707 114.290 2.417 1
1 315 . 2 1 1 A 32 32 THR H H 32 9.007 8.750 0.257 1
1 316 . 2 1 1 A 32 32 THR CA C 32 66.925 66.513 0.412 1
1 317 . 2 1 1 A 32 32 THR HA H 32 3.710 4.102 -0.392 1
1 318 . 2 1 1 A 32 32 THR CB C 32 69.079 68.926 0.153 1
1 324 . 2 1 1 A 32 32 THR C C 32 176.003 176.728 -0.725 1
1 325 . 2 1 1 A 33 33 ARG N N 33 119.936 120.654 -0.718 1
1 326 . 2 1 1 A 33 33 ARG H H 33 7.256 8.174 -0.918 1
1 327 . 2 1 1 A 33 33 ARG CA C 33 58.571 58.735 -0.164 1
1 328 . 2 1 1 A 33 33 ARG HA H 33 4.219 4.112 0.107 1
1 329 . 2 1 1 A 33 33 ARG CB C 33 29.786 29.877 -0.091 1
1 335 . 2 1 1 A 33 33 ARG C C 33 178.241 178.478 -0.237 1
1 339 . 2 1 1 A 34 34 THR N N 34 109.982 114.767 -4.785 1
1 340 . 2 1 1 A 34 34 THR H H 34 7.821 8.328 -0.507 1
1 341 . 2 1 1 A 34 34 THR CA C 34 64.062 64.916 -0.854 1
1 342 . 2 1 1 A 34 34 THR HA H 34 4.111 3.956 0.155 1
1 343 . 2 1 1 A 34 34 THR CB C 34 69.241 68.811 0.430 1
1 349 . 2 1 1 A 34 34 THR C C 34 175.691 176.273 -0.582 1
1 350 . 2 1 1 A 35 35 HIS N N 35 118.562 120.265 -1.703 1
1 351 . 2 1 1 A 35 35 HIS H H 35 7.303 7.417 -0.114 1
1 352 . 2 1 1 A 35 35 HIS CA C 35 55.753 58.538 -2.785 1
1 353 . 2 1 1 A 35 35 HIS HA H 35 4.833 4.362 0.471 1
1 354 . 2 1 1 A 35 35 HIS CB C 35 28.760 29.675 -0.915 1
1 360 . 2 1 1 A 35 35 HIS C C 35 175.857 177.516 -1.659 1
1 362 . 2 1 1 A 36 36 THR N N 36 111.405 114.143 -2.738 1
1 363 . 2 1 1 A 36 36 THR H H 36 7.836 8.268 -0.432 1
1 364 . 2 1 1 A 36 36 THR CA C 36 62.358 66.448 -4.090 1
1 365 . 2 1 1 A 36 36 THR HA H 36 4.359 3.920 0.439 1
1 366 . 2 1 1 A 36 36 THR CB C 36 69.861 68.380 1.481 1
1 372 . 2 1 1 A 36 36 THR C C 36 175.557 175.549 0.008 1
1 373 . 2 1 1 A 37 37 GLY N N 37 110.788 105.567 5.221 1
1 374 . 2 1 1 A 37 37 GLY H H 37 8.256 7.766 0.490 1
1 375 . 2 1 1 A 37 37 GLY CA C 37 45.471 44.990 0.481 1
1 376 . 2 1 1 A 37 37 GLY HA3 H 37 3.933 4.262 -0.329 1
1 377 . 2 1 1 A 37 37 GLY C C 37 174.315 171.907 2.408 1
1 378 . 2 1 1 A 37 37 GLY HA2 H 37 4.037 4.260 -0.223 1
1 379 . 2 1 1 A 38 38 GLU N N 38 120.671 125.831 -5.160 1
1 380 . 2 1 1 A 38 38 GLU H H 38 8.139 8.845 -0.706 1
1 381 . 2 1 1 A 38 38 GLU CA C 38 56.638 54.740 1.898 1
1 382 . 2 1 1 A 38 38 GLU HA H 38 4.271 4.857 -0.586 1
1 383 . 2 1 1 A 38 38 GLU CB C 38 30.487 32.595 -2.108 1
1 387 . 2 1 1 A 38 38 GLU C C 38 176.506 175.954 0.552 1
1 390 . 2 1 1 A 39 39 SER N N 39 116.808 121.299 -4.491 1
1 391 . 2 1 1 A 39 39 SER H H 39 8.416 9.047 -0.631 1
1 392 . 2 1 1 A 39 39 SER CA C 39 58.427 59.010 -0.583 1
1 393 . 2 1 1 A 39 39 SER HA H 39 4.440 4.074 0.366 1
1 394 . 2 1 1 A 39 39 SER CB C 39 64.030 61.522 2.508 1
1 396 . 2 1 1 A 39 39 SER C C 39 174.564 173.895 0.669 1
1 398 . 2 1 1 A 40 40 GLY N N 40 110.559 109.866 0.693 1
1 399 . 2 1 1 A 40 40 GLY H H 40 8.236 8.038 0.198 1
1 400 . 2 1 1 A 40 40 GLY CA C 40 44.652 44.249 0.403 1
1 401 . 2 1 1 A 40 40 GLY HA3 H 40 4.045 4.052 -0.007 1
1 402 . 2 1 1 A 40 40 GLY C C 40 171.663 174.531 -2.868 1
1 403 . 2 1 1 A 40 40 GLY HA2 H 40 4.139 4.051 0.088 1
1 404 . 2 1 1 A 41 41 PRO CA C 41 63.186 63.392 -0.206 1
1 405 . 2 1 1 A 41 41 PRO HA H 41 4.459 4.501 -0.042 1
1 406 . 2 1 1 A 41 41 PRO CB C 41 32.141 31.935 0.206 1
1 412 . 2 1 1 A 41 41 PRO C C 41 177.354 177.675 -0.321 1
1 416 . 2 1 1 A 42 42 SER N N 42 116.533 114.987 1.546 1
1 417 . 2 1 1 A 42 42 SER H H 42 8.540 8.147 0.393 1
1 418 . 2 1 1 A 42 42 SER CA C 42 58.357 59.054 -0.697 1
1 419 . 2 1 1 A 42 42 SER HA H 42 4.458 4.174 0.284 1
1 420 . 2 1 1 A 42 42 SER CB C 42 63.799 60.872 2.927 1
1 422 . 2 1 1 A 42 42 SER C C 42 174.657 174.369 0.288 1
1 424 . 2 1 1 A 43 43 SER N N 43 117.855 116.782 1.073 1
1 425 . 2 1 1 A 43 43 SER H H 43 8.309 8.045 0.264 1
1 426 . 2 1 1 A 43 43 SER CA C 43 58.342 59.766 -1.424 1
1 427 . 2 1 1 A 43 43 SER HA H 43 4.451 4.599 -0.148 1
1 428 . 2 1 1 A 43 43 SER CB C 43 64.100 64.820 -0.720 1
1 430 . 2 1 1 A 43 43 SER C C 43 173.896 174.855 -0.959 1
1 1 . 3 1 1 A 7 7 GLY CA C 7 45.465 47.189 -1.724 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 4.004 3.891 0.113 1
1 3 . 3 1 1 A 7 7 GLY C C 7 174.505 175.464 -0.959 1
1 4 . 3 1 1 A 7 7 GLY HA2 H 7 4.004 3.890 0.114 1
1 5 . 3 1 1 A 8 8 THR N N 8 112.992 113.121 -0.129 1
1 6 . 3 1 1 A 8 8 THR H H 8 8.116 8.262 -0.146 1
1 7 . 3 1 1 A 8 8 THR CA C 8 62.003 62.539 -0.536 1
1 8 . 3 1 1 A 8 8 THR HA H 8 4.339 4.515 -0.176 1
1 9 . 3 1 1 A 8 8 THR CB C 8 69.816 69.851 -0.035 1
1 15 . 3 1 1 A 8 8 THR C C 8 175.226 175.898 -0.672 1
1 16 . 3 1 1 A 9 9 GLY N N 9 110.864 108.832 2.032 1
1 17 . 3 1 1 A 9 9 GLY H H 9 8.444 7.775 0.669 1
1 18 . 3 1 1 A 9 9 GLY CA C 9 45.365 45.802 -0.437 1
1 19 . 3 1 1 A 9 9 GLY HA3 H 9 3.928 3.988 -0.060 1
1 20 . 3 1 1 A 9 9 GLY C C 9 174.085 173.329 0.756 1
1 21 . 3 1 1 A 9 9 GLY HA2 H 9 3.928 3.985 -0.057 1
1 22 . 3 1 1 A 10 10 MET N N 10 119.413 121.318 -1.905 1
1 23 . 3 1 1 A 10 10 MET H H 10 8.136 8.026 0.110 1
1 24 . 3 1 1 A 10 10 MET CA C 10 55.711 54.725 0.986 1
1 25 . 3 1 1 A 10 10 MET HA H 10 4.375 4.558 -0.183 1
1 26 . 3 1 1 A 10 10 MET CB C 10 32.785 31.271 1.514 1
1 34 . 3 1 1 A 10 10 MET C C 10 176.047 175.114 0.933 1
1 37 . 3 1 1 A 11 11 LYS N N 11 122.314 124.749 -2.435 1
1 38 . 3 1 1 A 11 11 LYS H H 11 8.236 7.937 0.299 1
1 39 . 3 1 1 A 11 11 LYS CA C 11 53.843 53.663 0.180 1
1 40 . 3 1 1 A 11 11 LYS HA H 11 4.511 5.009 -0.498 1
1 41 . 3 1 1 A 11 11 LYS CB C 11 32.984 33.132 -0.148 1
1 49 . 3 1 1 A 11 11 LYS C C 11 173.828 175.152 -1.324 1
1 54 . 3 1 1 A 12 12 PRO CA C 12 63.240 65.111 -1.871 1
1 55 . 3 1 1 A 12 12 PRO HA H 12 4.296 4.120 0.176 1
1 56 . 3 1 1 A 12 12 PRO CB C 12 32.231 31.081 1.150 1
1 62 . 3 1 1 A 12 12 PRO C C 12 176.278 176.605 -0.327 1
1 66 . 3 1 1 A 13 13 TYR N N 13 119.354 115.880 3.474 1
1 67 . 3 1 1 A 13 13 TYR H H 13 7.989 8.009 -0.020 1
1 68 . 3 1 1 A 13 13 TYR CA C 13 57.665 57.314 0.351 1
1 69 . 3 1 1 A 13 13 TYR HA H 13 4.568 4.874 -0.306 1
1 70 . 3 1 1 A 13 13 TYR CB C 13 38.332 39.178 -0.846 1
1 80 . 3 1 1 A 13 13 TYR C C 13 174.439 175.768 -1.329 1
1 82 . 3 1 1 A 14 14 VAL N N 14 124.765 121.216 3.549 1
1 83 . 3 1 1 A 14 14 VAL H H 14 8.407 7.392 1.015 1
1 84 . 3 1 1 A 14 14 VAL CA C 14 61.341 62.815 -1.474 1
1 85 . 3 1 1 A 14 14 VAL HA H 14 4.583 4.485 0.098 1
1 86 . 3 1 1 A 14 14 VAL CB C 14 34.420 32.439 1.981 1
1 96 . 3 1 1 A 14 14 VAL C C 14 175.329 175.588 -0.259 1
1 97 . 3 1 1 A 15 15 CYS N N 15 128.696 126.895 1.801 1
1 98 . 3 1 1 A 15 15 CYS H H 15 9.225 9.167 0.058 1
1 99 . 3 1 1 A 15 15 CYS CA C 15 59.512 59.547 -0.035 1
1 100 . 3 1 1 A 15 15 CYS HA H 15 4.512 4.577 -0.065 1
1 101 . 3 1 1 A 15 15 CYS CB C 15 29.777 28.504 1.273 1
1 103 . 3 1 1 A 15 15 CYS C C 15 176.992 176.267 0.725 1
1 105 . 3 1 1 A 16 16 ASN N N 16 130.445 126.649 3.796 1
1 106 . 3 1 1 A 16 16 ASN H H 16 9.373 8.939 0.434 1
1 107 . 3 1 1 A 16 16 ASN CA C 16 55.598 55.093 0.505 1
1 108 . 3 1 1 A 16 16 ASN HA H 16 4.521 4.597 -0.076 1
1 109 . 3 1 1 A 16 16 ASN CB C 16 38.593 38.141 0.452 1
1 114 . 3 1 1 A 16 16 ASN C C 16 175.261 175.820 -0.559 1
1 116 . 3 1 1 A 17 17 GLU N N 17 120.657 117.475 3.182 1
1 117 . 3 1 1 A 17 17 GLU H H 17 8.766 8.019 0.747 1
1 118 . 3 1 1 A 17 17 GLU CA C 17 58.253 58.376 -0.123 1
1 119 . 3 1 1 A 17 17 GLU HA H 17 4.225 4.322 -0.097 1
1 120 . 3 1 1 A 17 17 GLU CB C 17 29.552 30.517 -0.965 1
1 124 . 3 1 1 A 17 17 GLU C C 17 177.171 178.335 -1.164 1
1 127 . 3 1 1 A 18 18 CYS N N 18 114.840 114.930 -0.090 1
1 128 . 3 1 1 A 18 18 CYS H H 18 8.023 7.974 0.049 1
1 129 . 3 1 1 A 18 18 CYS CA C 18 58.322 59.571 -1.249 1
1 130 . 3 1 1 A 18 18 CYS HA H 18 5.169 4.579 0.590 1
1 131 . 3 1 1 A 18 18 CYS CB C 18 32.619 29.499 3.120 1
1 133 . 3 1 1 A 18 18 CYS C C 18 176.373 175.613 0.760 1
1 135 . 3 1 1 A 19 19 GLY N N 19 113.504 110.259 3.245 1
1 136 . 3 1 1 A 19 19 GLY H H 19 8.164 8.462 -0.298 1
1 137 . 3 1 1 A 19 19 GLY CA C 19 46.263 45.541 0.722 1
1 138 . 3 1 1 A 19 19 GLY HA3 H 19 4.177 3.935 0.242 1
1 139 . 3 1 1 A 19 19 GLY C C 19 173.670 174.356 -0.686 1
1 140 . 3 1 1 A 19 19 GLY HA2 H 19 3.743 3.926 -0.183 1
1 141 . 3 1 1 A 20 20 LYS N N 20 122.939 122.561 0.378 1
1 142 . 3 1 1 A 20 20 LYS H H 20 7.950 7.641 0.309 1
1 143 . 3 1 1 A 20 20 LYS CA C 20 58.169 56.453 1.716 1
1 144 . 3 1 1 A 20 20 LYS HA H 20 3.947 4.131 -0.184 1
1 145 . 3 1 1 A 20 20 LYS CB C 20 33.712 32.543 1.169 1
1 153 . 3 1 1 A 20 20 LYS C C 20 173.404 175.718 -2.314 1
1 158 . 3 1 1 A 21 21 ALA N N 21 123.614 129.864 -6.250 1
1 159 . 3 1 1 A 21 21 ALA H H 21 7.752 8.415 -0.663 1
1 160 . 3 1 1 A 21 21 ALA CA C 21 50.174 50.779 -0.605 1
1 161 . 3 1 1 A 21 21 ALA HA H 21 5.114 5.186 -0.072 1
1 162 . 3 1 1 A 21 21 ALA CB C 21 22.563 20.558 2.005 1
1 166 . 3 1 1 A 21 21 ALA C C 21 176.523 176.806 -0.283 1
1 167 . 3 1 1 A 22 22 PHE N N 22 116.849 119.484 -2.635 1
1 168 . 3 1 1 A 22 22 PHE H H 22 8.926 9.195 -0.269 1
1 169 . 3 1 1 A 22 22 PHE CA C 22 57.347 57.154 0.193 1
1 170 . 3 1 1 A 22 22 PHE HA H 22 4.736 5.027 -0.291 1
1 171 . 3 1 1 A 22 22 PHE CB C 22 44.094 43.082 1.012 1
1 183 . 3 1 1 A 22 22 PHE C C 22 176.070 176.031 0.039 1
1 185 . 3 1 1 A 23 23 ARG N N 23 118.853 120.571 -1.718 1
1 186 . 3 1 1 A 23 23 ARG H H 23 9.278 9.131 0.147 1
1 187 . 3 1 1 A 23 23 ARG CA C 23 57.758 56.937 0.821 1
1 188 . 3 1 1 A 23 23 ARG HA H 23 4.507 4.304 0.203 1
1 189 . 3 1 1 A 23 23 ARG CB C 23 31.163 31.467 -0.304 1
1 195 . 3 1 1 A 23 23 ARG C C 23 175.555 175.928 -0.373 1
1 199 . 3 1 1 A 24 24 SER N N 24 109.867 114.167 -4.300 1
1 200 . 3 1 1 A 24 24 SER H H 24 7.445 7.940 -0.495 1
1 201 . 3 1 1 A 24 24 SER CA C 24 55.916 57.093 -1.177 1
1 202 . 3 1 1 A 24 24 SER HA H 24 4.716 4.099 0.617 1
1 203 . 3 1 1 A 24 24 SER CB C 24 66.155 66.413 -0.258 1
1 205 . 3 1 1 A 24 24 SER C C 24 173.335 174.618 -1.283 1
1 207 . 3 1 1 A 25 25 LYS N N 25 125.390 123.832 1.558 1
1 208 . 3 1 1 A 25 25 LYS H H 25 8.308 8.934 -0.626 1
1 209 . 3 1 1 A 25 25 LYS CA C 25 59.004 59.225 -0.221 1
1 210 . 3 1 1 A 25 25 LYS HA H 25 3.212 4.291 -1.079 1
1 211 . 3 1 1 A 25 25 LYS CB C 25 31.811 32.260 -0.449 1
1 219 . 3 1 1 A 25 25 LYS C C 25 178.128 178.900 -0.772 1
1 224 . 3 1 1 A 26 26 SER N N 26 113.087 114.981 -1.894 1
1 225 . 3 1 1 A 26 26 SER H H 26 8.198 8.004 0.194 1
1 226 . 3 1 1 A 26 26 SER CA C 26 61.434 60.696 0.738 1
1 227 . 3 1 1 A 26 26 SER HA H 26 3.944 4.268 -0.324 1
1 228 . 3 1 1 A 26 26 SER CB C 26 61.936 62.965 -1.029 1
1 230 . 3 1 1 A 26 26 SER C C 26 176.875 176.282 0.593 1
1 232 . 3 1 1 A 27 27 TYR N N 27 119.500 123.034 -3.534 1
1 233 . 3 1 1 A 27 27 TYR H H 27 7.262 7.840 -0.578 1
1 234 . 3 1 1 A 27 27 TYR CA C 27 59.906 60.154 -0.248 1
1 235 . 3 1 1 A 27 27 TYR HA H 27 4.245 4.162 0.083 1
1 236 . 3 1 1 A 27 27 TYR CB C 27 37.518 39.155 -1.637 1
1 246 . 3 1 1 A 27 27 TYR C C 27 178.410 177.542 0.868 1
1 248 . 3 1 1 A 28 28 LEU N N 28 122.215 119.734 2.481 1
1 249 . 3 1 1 A 28 28 LEU H H 28 7.340 7.536 -0.196 1
1 250 . 3 1 1 A 28 28 LEU CA C 28 58.160 56.421 1.739 1
1 251 . 3 1 1 A 28 28 LEU HA H 28 3.372 2.408 0.964 1
1 252 . 3 1 1 A 28 28 LEU CB C 28 40.641 41.962 -1.321 1
1 264 . 3 1 1 A 28 28 LEU C C 28 178.010 178.346 -0.336 1
1 266 . 3 1 1 A 29 29 ILE N N 29 121.146 119.006 2.140 1
1 267 . 3 1 1 A 29 29 ILE H H 29 8.364 7.756 0.608 1
1 268 . 3 1 1 A 29 29 ILE CA C 29 65.133 65.015 0.118 1
1 269 . 3 1 1 A 29 29 ILE HA H 29 3.650 3.540 0.110 1
1 270 . 3 1 1 A 29 29 ILE CB C 29 37.476 37.404 0.072 1
1 282 . 3 1 1 A 29 29 ILE C C 29 179.053 178.472 0.581 1
1 284 . 3 1 1 A 30 30 ILE N N 30 119.869 117.384 2.485 1
1 285 . 3 1 1 A 30 30 ILE H H 30 7.447 7.718 -0.271 1
1 286 . 3 1 1 A 30 30 ILE CA C 30 65.067 63.652 1.415 1
1 287 . 3 1 1 A 30 30 ILE HA H 30 3.513 3.916 -0.403 1
1 288 . 3 1 1 A 30 30 ILE CB C 30 38.321 37.354 0.967 1
1 300 . 3 1 1 A 30 30 ILE C C 30 178.755 177.435 1.320 1
1 302 . 3 1 1 A 31 31 HIS N N 31 119.137 122.031 -2.894 1
1 303 . 3 1 1 A 31 31 HIS H H 31 7.717 7.687 0.030 1
1 304 . 3 1 1 A 31 31 HIS CA C 31 59.468 59.069 0.399 1
1 305 . 3 1 1 A 31 31 HIS HA H 31 4.231 4.251 -0.020 1
1 306 . 3 1 1 A 31 31 HIS CB C 31 28.172 30.335 -2.163 1
1 312 . 3 1 1 A 31 31 HIS C C 31 178.382 176.973 1.409 1
1 314 . 3 1 1 A 32 32 THR N N 32 116.707 114.008 2.699 1
1 315 . 3 1 1 A 32 32 THR H H 32 9.007 8.839 0.168 1
1 316 . 3 1 1 A 32 32 THR CA C 32 66.925 65.044 1.881 1
1 317 . 3 1 1 A 32 32 THR HA H 32 3.710 4.176 -0.466 1
1 318 . 3 1 1 A 32 32 THR CB C 32 69.079 68.987 0.092 1
1 324 . 3 1 1 A 32 32 THR C C 32 176.003 176.775 -0.772 1
1 325 . 3 1 1 A 33 33 ARG N N 33 119.936 120.004 -0.068 1
1 326 . 3 1 1 A 33 33 ARG H H 33 7.256 8.464 -1.208 1
1 327 . 3 1 1 A 33 33 ARG CA C 33 58.571 58.784 -0.213 1
1 328 . 3 1 1 A 33 33 ARG HA H 33 4.219 4.108 0.111 1
1 329 . 3 1 1 A 33 33 ARG CB C 33 29.786 29.641 0.145 1
1 335 . 3 1 1 A 33 33 ARG C C 33 178.241 177.909 0.332 1
1 339 . 3 1 1 A 34 34 THR N N 34 109.982 111.224 -1.242 1
1 340 . 3 1 1 A 34 34 THR H H 34 7.821 8.351 -0.530 1
1 341 . 3 1 1 A 34 34 THR CA C 34 64.062 64.450 -0.388 1
1 342 . 3 1 1 A 34 34 THR HA H 34 4.111 4.016 0.095 1
1 343 . 3 1 1 A 34 34 THR CB C 34 69.241 68.176 1.065 1
1 349 . 3 1 1 A 34 34 THR C C 34 175.691 175.440 0.251 1
1 350 . 3 1 1 A 35 35 HIS N N 35 118.562 119.425 -0.863 1
1 351 . 3 1 1 A 35 35 HIS H H 35 7.303 7.759 -0.456 1
1 352 . 3 1 1 A 35 35 HIS CA C 35 55.753 56.413 -0.660 1
1 353 . 3 1 1 A 35 35 HIS HA H 35 4.833 4.587 0.246 1
1 354 . 3 1 1 A 35 35 HIS CB C 35 28.760 29.146 -0.386 1
1 360 . 3 1 1 A 35 35 HIS C C 35 175.857 176.081 -0.224 1
1 362 . 3 1 1 A 36 36 THR N N 36 111.405 115.475 -4.070 1
1 363 . 3 1 1 A 36 36 THR H H 36 7.836 7.682 0.154 1
1 364 . 3 1 1 A 36 36 THR CA C 36 62.358 65.246 -2.888 1
1 365 . 3 1 1 A 36 36 THR HA H 36 4.359 3.896 0.463 1
1 366 . 3 1 1 A 36 36 THR CB C 36 69.861 68.560 1.301 1
1 372 . 3 1 1 A 36 36 THR C C 36 175.557 176.705 -1.148 1
1 373 . 3 1 1 A 37 37 GLY N N 37 110.788 108.216 2.572 1
1 374 . 3 1 1 A 37 37 GLY H H 37 8.256 8.542 -0.286 1
1 375 . 3 1 1 A 37 37 GLY CA C 37 45.471 47.408 -1.937 1
1 376 . 3 1 1 A 37 37 GLY HA3 H 37 3.933 3.681 0.252 1
1 377 . 3 1 1 A 37 37 GLY C C 37 174.315 175.723 -1.408 1
1 378 . 3 1 1 A 37 37 GLY HA2 H 37 4.037 3.674 0.363 1
1 379 . 3 1 1 A 38 38 GLU N N 38 120.671 122.016 -1.345 1
1 380 . 3 1 1 A 38 38 GLU H H 38 8.139 8.375 -0.236 1
1 381 . 3 1 1 A 38 38 GLU CA C 38 56.638 59.410 -2.772 1
1 382 . 3 1 1 A 38 38 GLU HA H 38 4.271 4.083 0.188 1
1 383 . 3 1 1 A 38 38 GLU CB C 38 30.487 29.861 0.626 1
1 387 . 3 1 1 A 38 38 GLU C C 38 176.506 176.249 0.257 1
1 390 . 3 1 1 A 39 39 SER N N 39 116.808 111.471 5.337 1
1 391 . 3 1 1 A 39 39 SER H H 39 8.416 7.696 0.720 1
1 392 . 3 1 1 A 39 39 SER CA C 39 58.427 58.000 0.427 1
1 393 . 3 1 1 A 39 39 SER HA H 39 4.440 4.574 -0.134 1
1 394 . 3 1 1 A 39 39 SER CB C 39 64.030 64.854 -0.824 1
1 396 . 3 1 1 A 39 39 SER C C 39 174.564 174.236 0.328 1
1 398 . 3 1 1 A 40 40 GLY N N 40 110.559 107.518 3.041 1
1 399 . 3 1 1 A 40 40 GLY H H 40 8.236 8.296 -0.060 1
1 400 . 3 1 1 A 40 40 GLY CA C 40 44.652 45.779 -1.127 1
1 401 . 3 1 1 A 40 40 GLY HA3 H 40 4.045 4.274 -0.229 1
1 402 . 3 1 1 A 40 40 GLY C C 40 171.663 171.767 -0.104 1
1 403 . 3 1 1 A 40 40 GLY HA2 H 40 4.139 4.274 -0.135 1
1 404 . 3 1 1 A 41 41 PRO CA C 41 63.186 62.883 0.303 1
1 405 . 3 1 1 A 41 41 PRO HA H 41 4.459 4.542 -0.083 1
1 406 . 3 1 1 A 41 41 PRO CB C 41 32.141 31.805 0.336 1
1 412 . 3 1 1 A 41 41 PRO C C 41 177.354 176.448 0.906 1
1 416 . 3 1 1 A 42 42 SER N N 42 116.533 115.527 1.006 1
1 417 . 3 1 1 A 42 42 SER H H 42 8.540 8.445 0.095 1
1 418 . 3 1 1 A 42 42 SER CA C 42 58.357 56.299 2.058 1
1 419 . 3 1 1 A 42 42 SER HA H 42 4.458 4.948 -0.490 1
1 420 . 3 1 1 A 42 42 SER CB C 42 63.799 65.935 -2.136 1
1 422 . 3 1 1 A 42 42 SER C C 42 174.657 173.901 0.756 1
1 424 . 3 1 1 A 43 43 SER N N 43 117.855 116.559 1.296 1
1 425 . 3 1 1 A 43 43 SER H H 43 8.309 9.291 -0.982 1
1 426 . 3 1 1 A 43 43 SER CA C 43 58.342 59.193 -0.851 1
1 427 . 3 1 1 A 43 43 SER HA H 43 4.451 4.062 0.389 1
1 428 . 3 1 1 A 43 43 SER CB C 43 64.100 62.237 1.863 1
1 430 . 3 1 1 A 43 43 SER C C 43 173.896 173.353 0.543 1
1 1 . 4 1 1 A 7 7 GLY CA C 7 45.465 46.919 -1.454 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 4.004 4.011 -0.007 1
1 3 . 4 1 1 A 7 7 GLY C C 7 174.505 175.548 -1.043 1
1 4 . 4 1 1 A 7 7 GLY HA2 H 7 4.004 4.010 -0.006 1
1 5 . 4 1 1 A 8 8 THR N N 8 112.992 114.471 -1.479 1
1 6 . 4 1 1 A 8 8 THR H H 8 8.116 8.128 -0.012 1
1 7 . 4 1 1 A 8 8 THR CA C 8 62.003 65.164 -3.161 1
1 8 . 4 1 1 A 8 8 THR HA H 8 4.339 4.106 0.233 1
1 9 . 4 1 1 A 8 8 THR CB C 8 69.816 68.475 1.341 1
1 15 . 4 1 1 A 8 8 THR C C 8 175.226 175.367 -0.141 1
1 16 . 4 1 1 A 9 9 GLY N N 9 110.864 108.291 2.573 1
1 17 . 4 1 1 A 9 9 GLY H H 9 8.444 7.810 0.634 1
1 18 . 4 1 1 A 9 9 GLY CA C 9 45.365 45.377 -0.012 1
1 19 . 4 1 1 A 9 9 GLY HA3 H 9 3.928 4.167 -0.239 1
1 20 . 4 1 1 A 9 9 GLY C C 9 174.085 173.759 0.326 1
1 21 . 4 1 1 A 9 9 GLY HA2 H 9 3.928 4.167 -0.239 1
1 22 . 4 1 1 A 10 10 MET N N 10 119.413 125.233 -5.820 1
1 23 . 4 1 1 A 10 10 MET H H 10 8.136 8.827 -0.691 1
1 24 . 4 1 1 A 10 10 MET CA C 10 55.711 54.380 1.331 1
1 25 . 4 1 1 A 10 10 MET HA H 10 4.375 4.783 -0.408 1
1 26 . 4 1 1 A 10 10 MET CB C 10 32.785 33.097 -0.312 1
1 34 . 4 1 1 A 10 10 MET C C 10 176.047 174.747 1.300 1
1 37 . 4 1 1 A 11 11 LYS N N 11 122.314 118.917 3.397 1
1 38 . 4 1 1 A 11 11 LYS H H 11 8.236 7.284 0.952 1
1 39 . 4 1 1 A 11 11 LYS CA C 11 53.843 53.210 0.633 1
1 40 . 4 1 1 A 11 11 LYS HA H 11 4.511 4.592 -0.081 1
1 41 . 4 1 1 A 11 11 LYS CB C 11 32.984 32.516 0.468 1
1 49 . 4 1 1 A 11 11 LYS C C 11 173.828 176.303 -2.475 1
1 54 . 4 1 1 A 12 12 PRO CA C 12 63.240 65.646 -2.406 1
1 55 . 4 1 1 A 12 12 PRO HA H 12 4.296 4.118 0.178 1
1 56 . 4 1 1 A 12 12 PRO CB C 12 32.231 31.132 1.099 1
1 62 . 4 1 1 A 12 12 PRO C C 12 176.278 177.057 -0.779 1
1 66 . 4 1 1 A 13 13 TYR N N 13 119.354 117.081 2.273 1
1 67 . 4 1 1 A 13 13 TYR H H 13 7.989 8.246 -0.257 1
1 68 . 4 1 1 A 13 13 TYR CA C 13 57.665 57.131 0.534 1
1 69 . 4 1 1 A 13 13 TYR HA H 13 4.568 4.823 -0.255 1
1 70 . 4 1 1 A 13 13 TYR CB C 13 38.332 38.814 -0.482 1
1 80 . 4 1 1 A 13 13 TYR C C 13 174.439 176.006 -1.567 1
1 82 . 4 1 1 A 14 14 VAL N N 14 124.765 121.332 3.433 1
1 83 . 4 1 1 A 14 14 VAL H H 14 8.407 7.332 1.075 1
1 84 . 4 1 1 A 14 14 VAL CA C 14 61.341 62.744 -1.403 1
1 85 . 4 1 1 A 14 14 VAL HA H 14 4.583 4.515 0.068 1
1 86 . 4 1 1 A 14 14 VAL CB C 14 34.420 32.225 2.195 1
1 96 . 4 1 1 A 14 14 VAL C C 14 175.329 175.883 -0.554 1
1 97 . 4 1 1 A 15 15 CYS N N 15 128.696 126.841 1.855 1
1 98 . 4 1 1 A 15 15 CYS H H 15 9.225 9.020 0.205 1
1 99 . 4 1 1 A 15 15 CYS CA C 15 59.512 59.898 -0.386 1
1 100 . 4 1 1 A 15 15 CYS HA H 15 4.512 4.600 -0.088 1
1 101 . 4 1 1 A 15 15 CYS CB C 15 29.777 28.832 0.945 1
1 103 . 4 1 1 A 15 15 CYS C C 15 176.992 175.905 1.087 1
1 105 . 4 1 1 A 16 16 ASN N N 16 130.445 126.389 4.056 1
1 106 . 4 1 1 A 16 16 ASN H H 16 9.373 9.122 0.251 1
1 107 . 4 1 1 A 16 16 ASN CA C 16 55.598 53.397 2.201 1
1 108 . 4 1 1 A 16 16 ASN HA H 16 4.521 4.920 -0.399 1
1 109 . 4 1 1 A 16 16 ASN CB C 16 38.593 38.768 -0.175 1
1 114 . 4 1 1 A 16 16 ASN C C 16 175.261 175.747 -0.486 1
1 116 . 4 1 1 A 17 17 GLU N N 17 120.657 117.659 2.998 1
1 117 . 4 1 1 A 17 17 GLU H H 17 8.766 8.024 0.742 1
1 118 . 4 1 1 A 17 17 GLU CA C 17 58.253 57.221 1.032 1
1 119 . 4 1 1 A 17 17 GLU HA H 17 4.225 4.527 -0.302 1
1 120 . 4 1 1 A 17 17 GLU CB C 17 29.552 32.472 -2.920 1
1 124 . 4 1 1 A 17 17 GLU C C 17 177.171 177.803 -0.632 1
1 127 . 4 1 1 A 18 18 CYS N N 18 114.840 114.821 0.019 1
1 128 . 4 1 1 A 18 18 CYS H H 18 8.023 8.184 -0.161 1
1 129 . 4 1 1 A 18 18 CYS CA C 18 58.322 59.299 -0.977 1
1 130 . 4 1 1 A 18 18 CYS HA H 18 5.169 4.720 0.449 1
1 131 . 4 1 1 A 18 18 CYS CB C 18 32.619 30.401 2.218 1
1 133 . 4 1 1 A 18 18 CYS C C 18 176.373 175.709 0.664 1
1 135 . 4 1 1 A 19 19 GLY N N 19 113.504 110.494 3.010 1
1 136 . 4 1 1 A 19 19 GLY H H 19 8.164 7.994 0.170 1
1 137 . 4 1 1 A 19 19 GLY CA C 19 46.263 45.297 0.966 1
1 138 . 4 1 1 A 19 19 GLY HA3 H 19 4.177 4.037 0.140 1
1 139 . 4 1 1 A 19 19 GLY C C 19 173.670 174.250 -0.580 1
1 140 . 4 1 1 A 19 19 GLY HA2 H 19 3.743 4.026 -0.283 1
1 141 . 4 1 1 A 20 20 LYS N N 20 122.939 122.353 0.586 1
1 142 . 4 1 1 A 20 20 LYS H H 20 7.950 7.506 0.444 1
1 143 . 4 1 1 A 20 20 LYS CA C 20 58.169 55.661 2.508 1
1 144 . 4 1 1 A 20 20 LYS HA H 20 3.947 4.092 -0.145 1
1 145 . 4 1 1 A 20 20 LYS CB C 20 33.712 32.538 1.174 1
1 153 . 4 1 1 A 20 20 LYS C C 20 173.404 175.560 -2.156 1
1 158 . 4 1 1 A 21 21 ALA N N 21 123.614 129.770 -6.156 1
1 159 . 4 1 1 A 21 21 ALA H H 21 7.752 8.339 -0.587 1
1 160 . 4 1 1 A 21 21 ALA CA C 21 50.174 50.520 -0.346 1
1 161 . 4 1 1 A 21 21 ALA HA H 21 5.114 5.024 0.090 1
1 162 . 4 1 1 A 21 21 ALA CB C 21 22.563 20.558 2.005 1
1 166 . 4 1 1 A 21 21 ALA C C 21 176.523 176.633 -0.110 1
1 167 . 4 1 1 A 22 22 PHE N N 22 116.849 119.078 -2.229 1
1 168 . 4 1 1 A 22 22 PHE H H 22 8.926 8.924 0.002 1
1 169 . 4 1 1 A 22 22 PHE CA C 22 57.347 57.055 0.292 1
1 170 . 4 1 1 A 22 22 PHE HA H 22 4.736 4.834 -0.098 1
1 171 . 4 1 1 A 22 22 PHE CB C 22 44.094 43.192 0.902 1
1 183 . 4 1 1 A 22 22 PHE C C 22 176.070 175.846 0.224 1
1 185 . 4 1 1 A 23 23 ARG N N 23 118.853 119.516 -0.663 1
1 186 . 4 1 1 A 23 23 ARG H H 23 9.278 8.782 0.496 1
1 187 . 4 1 1 A 23 23 ARG CA C 23 57.758 57.258 0.500 1
1 188 . 4 1 1 A 23 23 ARG HA H 23 4.507 4.290 0.217 1
1 189 . 4 1 1 A 23 23 ARG CB C 23 31.163 31.376 -0.213 1
1 195 . 4 1 1 A 23 23 ARG C C 23 175.555 175.845 -0.290 1
1 199 . 4 1 1 A 24 24 SER N N 24 109.867 114.069 -4.202 1
1 200 . 4 1 1 A 24 24 SER H H 24 7.445 7.750 -0.305 1
1 201 . 4 1 1 A 24 24 SER CA C 24 55.916 56.117 -0.201 1
1 202 . 4 1 1 A 24 24 SER HA H 24 4.716 3.747 0.969 1
1 203 . 4 1 1 A 24 24 SER CB C 24 66.155 65.283 0.872 1
1 205 . 4 1 1 A 24 24 SER C C 24 173.335 174.133 -0.798 1
1 207 . 4 1 1 A 25 25 LYS N N 25 125.390 126.598 -1.208 1
1 208 . 4 1 1 A 25 25 LYS H H 25 8.308 8.772 -0.464 1
1 209 . 4 1 1 A 25 25 LYS CA C 25 59.004 60.419 -1.415 1
1 210 . 4 1 1 A 25 25 LYS HA H 25 3.212 4.112 -0.900 1
1 211 . 4 1 1 A 25 25 LYS CB C 25 31.811 32.147 -0.336 1
1 219 . 4 1 1 A 25 25 LYS C C 25 178.128 177.793 0.335 1
1 224 . 4 1 1 A 26 26 SER N N 26 113.087 114.261 -1.174 1
1 225 . 4 1 1 A 26 26 SER H H 26 8.198 7.944 0.254 1
1 226 . 4 1 1 A 26 26 SER CA C 26 61.434 61.192 0.242 1
1 227 . 4 1 1 A 26 26 SER HA H 26 3.944 4.076 -0.132 1
1 228 . 4 1 1 A 26 26 SER CB C 26 61.936 62.839 -0.903 1
1 230 . 4 1 1 A 26 26 SER C C 26 176.875 176.474 0.401 1
1 232 . 4 1 1 A 27 27 TYR N N 27 119.500 119.052 0.448 1
1 233 . 4 1 1 A 27 27 TYR H H 27 7.262 7.381 -0.119 1
1 234 . 4 1 1 A 27 27 TYR CA C 27 59.906 60.976 -1.070 1
1 235 . 4 1 1 A 27 27 TYR HA H 27 4.245 4.157 0.088 1
1 236 . 4 1 1 A 27 27 TYR CB C 27 37.518 37.475 0.043 1
1 246 . 4 1 1 A 27 27 TYR C C 27 178.410 177.878 0.532 1
1 248 . 4 1 1 A 28 28 LEU N N 28 122.215 121.324 0.891 1
1 249 . 4 1 1 A 28 28 LEU H H 28 7.340 8.121 -0.781 1
1 250 . 4 1 1 A 28 28 LEU CA C 28 58.160 56.801 1.359 1
1 251 . 4 1 1 A 28 28 LEU HA H 28 3.372 3.240 0.132 1
1 252 . 4 1 1 A 28 28 LEU CB C 28 40.641 42.018 -1.377 1
1 264 . 4 1 1 A 28 28 LEU C C 28 178.010 178.838 -0.828 1
1 266 . 4 1 1 A 29 29 ILE N N 29 121.146 118.297 2.849 1
1 267 . 4 1 1 A 29 29 ILE H H 29 8.364 8.135 0.229 1
1 268 . 4 1 1 A 29 29 ILE CA C 29 65.133 64.174 0.959 1
1 269 . 4 1 1 A 29 29 ILE HA H 29 3.650 3.783 -0.133 1
1 270 . 4 1 1 A 29 29 ILE CB C 29 37.476 37.096 0.380 1
1 282 . 4 1 1 A 29 29 ILE C C 29 179.053 178.230 0.823 1
1 284 . 4 1 1 A 30 30 ILE N N 30 119.869 116.636 3.233 1
1 285 . 4 1 1 A 30 30 ILE H H 30 7.447 7.526 -0.079 1
1 286 . 4 1 1 A 30 30 ILE CA C 30 65.067 63.745 1.322 1
1 287 . 4 1 1 A 30 30 ILE HA H 30 3.513 3.935 -0.422 1
1 288 . 4 1 1 A 30 30 ILE CB C 30 38.321 37.413 0.908 1
1 300 . 4 1 1 A 30 30 ILE C C 30 178.755 177.807 0.948 1
1 302 . 4 1 1 A 31 31 HIS N N 31 119.137 121.757 -2.620 1
1 303 . 4 1 1 A 31 31 HIS H H 31 7.717 7.996 -0.279 1
1 304 . 4 1 1 A 31 31 HIS CA C 31 59.468 58.925 0.543 1
1 305 . 4 1 1 A 31 31 HIS HA H 31 4.231 4.270 -0.039 1
1 306 . 4 1 1 A 31 31 HIS CB C 31 28.172 30.169 -1.997 1
1 312 . 4 1 1 A 31 31 HIS C C 31 178.382 177.252 1.130 1
1 314 . 4 1 1 A 32 32 THR N N 32 116.707 113.750 2.957 1
1 315 . 4 1 1 A 32 32 THR H H 32 9.007 8.651 0.356 1
1 316 . 4 1 1 A 32 32 THR CA C 32 66.925 65.457 1.468 1
1 317 . 4 1 1 A 32 32 THR HA H 32 3.710 4.103 -0.393 1
1 318 . 4 1 1 A 32 32 THR CB C 32 69.079 69.094 -0.015 1
1 324 . 4 1 1 A 32 32 THR C C 32 176.003 176.958 -0.955 1
1 325 . 4 1 1 A 33 33 ARG N N 33 119.936 120.038 -0.102 1
1 326 . 4 1 1 A 33 33 ARG H H 33 7.256 8.152 -0.896 1
1 327 . 4 1 1 A 33 33 ARG CA C 33 58.571 58.707 -0.136 1
1 328 . 4 1 1 A 33 33 ARG HA H 33 4.219 4.116 0.103 1
1 329 . 4 1 1 A 33 33 ARG CB C 33 29.786 29.879 -0.093 1
1 335 . 4 1 1 A 33 33 ARG C C 33 178.241 177.883 0.358 1
1 339 . 4 1 1 A 34 34 THR N N 34 109.982 111.572 -1.590 1
1 340 . 4 1 1 A 34 34 THR H H 34 7.821 7.992 -0.171 1
1 341 . 4 1 1 A 34 34 THR CA C 34 64.062 65.747 -1.685 1
1 342 . 4 1 1 A 34 34 THR HA H 34 4.111 4.085 0.026 1
1 343 . 4 1 1 A 34 34 THR CB C 34 69.241 68.179 1.062 1
1 349 . 4 1 1 A 34 34 THR C C 34 175.691 176.778 -1.087 1
1 350 . 4 1 1 A 35 35 HIS N N 35 118.562 119.935 -1.373 1
1 351 . 4 1 1 A 35 35 HIS H H 35 7.303 7.592 -0.289 1
1 352 . 4 1 1 A 35 35 HIS CA C 35 55.753 59.298 -3.545 1
1 353 . 4 1 1 A 35 35 HIS HA H 35 4.833 4.172 0.661 1
1 354 . 4 1 1 A 35 35 HIS CB C 35 28.760 29.497 -0.737 1
1 360 . 4 1 1 A 35 35 HIS C C 35 175.857 175.222 0.635 1
1 362 . 4 1 1 A 36 36 THR N N 36 111.405 111.961 -0.556 1
1 363 . 4 1 1 A 36 36 THR H H 36 7.836 8.510 -0.674 1
1 364 . 4 1 1 A 36 36 THR CA C 36 62.358 62.897 -0.539 1
1 365 . 4 1 1 A 36 36 THR HA H 36 4.359 3.990 0.369 1
1 366 . 4 1 1 A 36 36 THR CB C 36 69.861 66.615 3.246 1
1 372 . 4 1 1 A 36 36 THR C C 36 175.557 174.537 1.020 1
1 373 . 4 1 1 A 37 37 GLY N N 37 110.788 110.108 0.680 1
1 374 . 4 1 1 A 37 37 GLY H H 37 8.256 8.705 -0.449 1
1 375 . 4 1 1 A 37 37 GLY CA C 37 45.471 46.783 -1.312 1
1 376 . 4 1 1 A 37 37 GLY HA3 H 37 3.933 3.925 0.008 1
1 377 . 4 1 1 A 37 37 GLY C C 37 174.315 175.410 -1.095 1
1 378 . 4 1 1 A 37 37 GLY HA2 H 37 4.037 3.921 0.116 1
1 379 . 4 1 1 A 38 38 GLU N N 38 120.671 119.684 0.987 1
1 380 . 4 1 1 A 38 38 GLU H H 38 8.139 7.950 0.189 1
1 381 . 4 1 1 A 38 38 GLU CA C 38 56.638 58.275 -1.637 1
1 382 . 4 1 1 A 38 38 GLU HA H 38 4.271 4.492 -0.221 1
1 383 . 4 1 1 A 38 38 GLU CB C 38 30.487 30.942 -0.455 1
1 387 . 4 1 1 A 38 38 GLU C C 38 176.506 178.627 -2.121 1
1 390 . 4 1 1 A 39 39 SER N N 39 116.808 111.717 5.091 1
1 391 . 4 1 1 A 39 39 SER H H 39 8.416 8.102 0.314 1
1 392 . 4 1 1 A 39 39 SER CA C 39 58.427 59.556 -1.129 1
1 393 . 4 1 1 A 39 39 SER HA H 39 4.440 4.421 0.019 1
1 394 . 4 1 1 A 39 39 SER CB C 39 64.030 64.457 -0.427 1
1 396 . 4 1 1 A 39 39 SER C C 39 174.564 174.660 -0.096 1
1 398 . 4 1 1 A 40 40 GLY N N 40 110.559 109.405 1.154 1
1 399 . 4 1 1 A 40 40 GLY H H 40 8.236 7.914 0.322 1
1 400 . 4 1 1 A 40 40 GLY CA C 40 44.652 44.850 -0.198 1
1 401 . 4 1 1 A 40 40 GLY HA3 H 40 4.045 4.062 -0.017 1
1 402 . 4 1 1 A 40 40 GLY C C 40 171.663 172.869 -1.206 1
1 403 . 4 1 1 A 40 40 GLY HA2 H 40 4.139 4.061 0.078 1
1 404 . 4 1 1 A 41 41 PRO CA C 41 63.186 62.468 0.718 1
1 405 . 4 1 1 A 41 41 PRO HA H 41 4.459 4.754 -0.295 1
1 406 . 4 1 1 A 41 41 PRO CB C 41 32.141 30.074 2.067 1
1 412 . 4 1 1 A 41 41 PRO C C 41 177.354 176.932 0.422 1
1 416 . 4 1 1 A 42 42 SER N N 42 116.533 119.859 -3.326 1
1 417 . 4 1 1 A 42 42 SER H H 42 8.540 8.385 0.155 1
1 418 . 4 1 1 A 42 42 SER CA C 42 58.357 57.613 0.744 1
1 419 . 4 1 1 A 42 42 SER HA H 42 4.458 4.518 -0.060 1
1 420 . 4 1 1 A 42 42 SER CB C 42 63.799 62.736 1.063 1
1 422 . 4 1 1 A 42 42 SER C C 42 174.657 174.423 0.234 1
1 424 . 4 1 1 A 43 43 SER N N 43 117.855 115.126 2.729 1
1 425 . 4 1 1 A 43 43 SER H H 43 8.309 8.085 0.224 1
1 426 . 4 1 1 A 43 43 SER CA C 43 58.342 59.139 -0.797 1
1 427 . 4 1 1 A 43 43 SER HA H 43 4.451 4.142 0.309 1
1 428 . 4 1 1 A 43 43 SER CB C 43 64.100 61.891 2.209 1
1 430 . 4 1 1 A 43 43 SER C C 43 173.896 173.881 0.015 1
1 1 . 5 1 1 A 7 7 GLY CA C 7 45.465 47.117 -1.652 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 4.004 3.906 0.098 1
1 3 . 5 1 1 A 7 7 GLY C C 7 174.505 175.097 -0.592 1
1 4 . 5 1 1 A 7 7 GLY HA2 H 7 4.004 3.905 0.099 1
1 5 . 5 1 1 A 8 8 THR N N 8 112.992 115.207 -2.215 1
1 6 . 5 1 1 A 8 8 THR H H 8 8.116 7.941 0.175 1
1 7 . 5 1 1 A 8 8 THR CA C 8 62.003 64.757 -2.754 1
1 8 . 5 1 1 A 8 8 THR HA H 8 4.339 4.021 0.318 1
1 9 . 5 1 1 A 8 8 THR CB C 8 69.816 69.775 0.041 1
1 15 . 5 1 1 A 8 8 THR C C 8 175.226 174.675 0.551 1
1 16 . 5 1 1 A 9 9 GLY N N 9 110.864 108.831 2.033 1
1 17 . 5 1 1 A 9 9 GLY H H 9 8.444 8.018 0.426 1
1 18 . 5 1 1 A 9 9 GLY CA C 9 45.365 46.095 -0.730 1
1 19 . 5 1 1 A 9 9 GLY HA3 H 9 3.928 3.950 -0.022 1
1 20 . 5 1 1 A 9 9 GLY C C 9 174.085 174.540 -0.455 1
1 21 . 5 1 1 A 9 9 GLY HA2 H 9 3.928 3.947 -0.019 1
1 22 . 5 1 1 A 10 10 MET N N 10 119.413 122.786 -3.373 1
1 23 . 5 1 1 A 10 10 MET H H 10 8.136 8.849 -0.713 1
1 24 . 5 1 1 A 10 10 MET CA C 10 55.711 56.222 -0.511 1
1 25 . 5 1 1 A 10 10 MET HA H 10 4.375 4.079 0.296 1
1 26 . 5 1 1 A 10 10 MET CB C 10 32.785 31.413 1.372 1
1 34 . 5 1 1 A 10 10 MET C C 10 176.047 174.875 1.172 1
1 37 . 5 1 1 A 11 11 LYS N N 11 122.314 118.363 3.951 1
1 38 . 5 1 1 A 11 11 LYS H H 11 8.236 7.828 0.408 1
1 39 . 5 1 1 A 11 11 LYS CA C 11 53.843 53.300 0.543 1
1 40 . 5 1 1 A 11 11 LYS HA H 11 4.511 4.801 -0.290 1
1 41 . 5 1 1 A 11 11 LYS CB C 11 32.984 33.183 -0.199 1
1 49 . 5 1 1 A 11 11 LYS C C 11 173.828 176.271 -2.443 1
1 54 . 5 1 1 A 12 12 PRO CA C 12 63.240 65.658 -2.418 1
1 55 . 5 1 1 A 12 12 PRO HA H 12 4.296 4.159 0.137 1
1 56 . 5 1 1 A 12 12 PRO CB C 12 32.231 31.147 1.084 1
1 62 . 5 1 1 A 12 12 PRO C C 12 176.278 177.236 -0.958 1
1 66 . 5 1 1 A 13 13 TYR N N 13 119.354 117.238 2.116 1
1 67 . 5 1 1 A 13 13 TYR H H 13 7.989 8.212 -0.223 1
1 68 . 5 1 1 A 13 13 TYR CA C 13 57.665 57.402 0.263 1
1 69 . 5 1 1 A 13 13 TYR HA H 13 4.568 4.764 -0.196 1
1 70 . 5 1 1 A 13 13 TYR CB C 13 38.332 38.480 -0.148 1
1 80 . 5 1 1 A 13 13 TYR C C 13 174.439 176.008 -1.569 1
1 82 . 5 1 1 A 14 14 VAL N N 14 124.765 121.313 3.452 1
1 83 . 5 1 1 A 14 14 VAL H H 14 8.407 7.381 1.026 1
1 84 . 5 1 1 A 14 14 VAL CA C 14 61.341 62.876 -1.535 1
1 85 . 5 1 1 A 14 14 VAL HA H 14 4.583 4.473 0.110 1
1 86 . 5 1 1 A 14 14 VAL CB C 14 34.420 32.376 2.044 1
1 96 . 5 1 1 A 14 14 VAL C C 14 175.329 175.986 -0.657 1
1 97 . 5 1 1 A 15 15 CYS N N 15 128.696 127.024 1.672 1
1 98 . 5 1 1 A 15 15 CYS H H 15 9.225 9.186 0.039 1
1 99 . 5 1 1 A 15 15 CYS CA C 15 59.512 59.984 -0.472 1
1 100 . 5 1 1 A 15 15 CYS HA H 15 4.512 4.476 0.036 1
1 101 . 5 1 1 A 15 15 CYS CB C 15 29.777 28.879 0.898 1
1 103 . 5 1 1 A 15 15 CYS C C 15 176.992 176.432 0.560 1
1 105 . 5 1 1 A 16 16 ASN N N 16 130.445 127.099 3.346 1
1 106 . 5 1 1 A 16 16 ASN H H 16 9.373 9.257 0.116 1
1 107 . 5 1 1 A 16 16 ASN CA C 16 55.598 53.118 2.480 1
1 108 . 5 1 1 A 16 16 ASN HA H 16 4.521 4.970 -0.449 1
1 109 . 5 1 1 A 16 16 ASN CB C 16 38.593 38.505 0.088 1
1 114 . 5 1 1 A 16 16 ASN C C 16 175.261 176.302 -1.041 1
1 116 . 5 1 1 A 17 17 GLU N N 17 120.657 119.533 1.124 1
1 117 . 5 1 1 A 17 17 GLU H H 17 8.766 7.957 0.809 1
1 118 . 5 1 1 A 17 17 GLU CA C 17 58.253 57.151 1.102 1
1 119 . 5 1 1 A 17 17 GLU HA H 17 4.225 4.505 -0.280 1
1 120 . 5 1 1 A 17 17 GLU CB C 17 29.552 31.869 -2.317 1
1 124 . 5 1 1 A 17 17 GLU C C 17 177.171 177.849 -0.678 1
1 127 . 5 1 1 A 18 18 CYS N N 18 114.840 114.788 0.052 1
1 128 . 5 1 1 A 18 18 CYS H H 18 8.023 8.154 -0.131 1
1 129 . 5 1 1 A 18 18 CYS CA C 18 58.322 59.453 -1.131 1
1 130 . 5 1 1 A 18 18 CYS HA H 18 5.169 4.725 0.444 1
1 131 . 5 1 1 A 18 18 CYS CB C 18 32.619 30.228 2.391 1
1 133 . 5 1 1 A 18 18 CYS C C 18 176.373 175.607 0.766 1
1 135 . 5 1 1 A 19 19 GLY N N 19 113.504 110.480 3.024 1
1 136 . 5 1 1 A 19 19 GLY H H 19 8.164 8.039 0.125 1
1 137 . 5 1 1 A 19 19 GLY CA C 19 46.263 45.273 0.990 1
1 138 . 5 1 1 A 19 19 GLY HA3 H 19 4.177 4.018 0.159 1
1 139 . 5 1 1 A 19 19 GLY C C 19 173.670 174.324 -0.654 1
1 140 . 5 1 1 A 19 19 GLY HA2 H 19 3.743 4.014 -0.271 1
1 141 . 5 1 1 A 20 20 LYS N N 20 122.939 122.643 0.296 1
1 142 . 5 1 1 A 20 20 LYS H H 20 7.950 7.539 0.411 1
1 143 . 5 1 1 A 20 20 LYS CA C 20 58.169 55.900 2.269 1
1 144 . 5 1 1 A 20 20 LYS HA H 20 3.947 4.121 -0.174 1
1 145 . 5 1 1 A 20 20 LYS CB C 20 33.712 32.613 1.099 1
1 153 . 5 1 1 A 20 20 LYS C C 20 173.404 175.723 -2.319 1
1 158 . 5 1 1 A 21 21 ALA N N 21 123.614 129.670 -6.056 1
1 159 . 5 1 1 A 21 21 ALA H H 21 7.752 8.370 -0.618 1
1 160 . 5 1 1 A 21 21 ALA CA C 21 50.174 51.009 -0.835 1
1 161 . 5 1 1 A 21 21 ALA HA H 21 5.114 5.134 -0.020 1
1 162 . 5 1 1 A 21 21 ALA CB C 21 22.563 20.701 1.862 1
1 166 . 5 1 1 A 21 21 ALA C C 21 176.523 176.624 -0.101 1
1 167 . 5 1 1 A 22 22 PHE N N 22 116.849 118.188 -1.339 1
1 168 . 5 1 1 A 22 22 PHE H H 22 8.926 8.950 -0.024 1
1 169 . 5 1 1 A 22 22 PHE CA C 22 57.347 57.277 0.070 1
1 170 . 5 1 1 A 22 22 PHE HA H 22 4.736 5.033 -0.297 1
1 171 . 5 1 1 A 22 22 PHE CB C 22 44.094 43.319 0.775 1
1 183 . 5 1 1 A 22 22 PHE C C 22 176.070 175.794 0.276 1
1 185 . 5 1 1 A 23 23 ARG N N 23 118.853 120.431 -1.578 1
1 186 . 5 1 1 A 23 23 ARG H H 23 9.278 9.195 0.083 1
1 187 . 5 1 1 A 23 23 ARG CA C 23 57.758 56.890 0.868 1
1 188 . 5 1 1 A 23 23 ARG HA H 23 4.507 4.276 0.231 1
1 189 . 5 1 1 A 23 23 ARG CB C 23 31.163 31.468 -0.305 1
1 195 . 5 1 1 A 23 23 ARG C C 23 175.555 175.812 -0.257 1
1 199 . 5 1 1 A 24 24 SER N N 24 109.867 111.162 -1.295 1
1 200 . 5 1 1 A 24 24 SER H H 24 7.445 7.603 -0.158 1
1 201 . 5 1 1 A 24 24 SER CA C 24 55.916 55.680 0.236 1
1 202 . 5 1 1 A 24 24 SER HA H 24 4.716 4.027 0.689 1
1 203 . 5 1 1 A 24 24 SER CB C 24 66.155 67.027 -0.872 1
1 205 . 5 1 1 A 24 24 SER C C 24 173.335 174.789 -1.454 1
1 207 . 5 1 1 A 25 25 LYS N N 25 125.390 122.850 2.540 1
1 208 . 5 1 1 A 25 25 LYS H H 25 8.308 8.863 -0.555 1
1 209 . 5 1 1 A 25 25 LYS CA C 25 59.004 60.550 -1.546 1
1 210 . 5 1 1 A 25 25 LYS HA H 25 3.212 4.110 -0.898 1
1 211 . 5 1 1 A 25 25 LYS CB C 25 31.811 32.138 -0.327 1
1 219 . 5 1 1 A 25 25 LYS C C 25 178.128 178.202 -0.074 1
1 224 . 5 1 1 A 26 26 SER N N 26 113.087 115.368 -2.281 1
1 225 . 5 1 1 A 26 26 SER H H 26 8.198 8.354 -0.156 1
1 226 . 5 1 1 A 26 26 SER CA C 26 61.434 61.120 0.314 1
1 227 . 5 1 1 A 26 26 SER HA H 26 3.944 4.358 -0.414 1
1 228 . 5 1 1 A 26 26 SER CB C 26 61.936 62.837 -0.901 1
1 230 . 5 1 1 A 26 26 SER C C 26 176.875 176.536 0.339 1
1 232 . 5 1 1 A 27 27 TYR N N 27 119.500 123.557 -4.057 1
1 233 . 5 1 1 A 27 27 TYR H H 27 7.262 7.676 -0.414 1
1 234 . 5 1 1 A 27 27 TYR CA C 27 59.906 60.437 -0.531 1
1 235 . 5 1 1 A 27 27 TYR HA H 27 4.245 4.171 0.074 1
1 236 . 5 1 1 A 27 27 TYR CB C 27 37.518 38.912 -1.394 1
1 246 . 5 1 1 A 27 27 TYR C C 27 178.410 177.310 1.100 1
1 248 . 5 1 1 A 28 28 LEU N N 28 122.215 119.985 2.230 1
1 249 . 5 1 1 A 28 28 LEU H H 28 7.340 7.819 -0.479 1
1 250 . 5 1 1 A 28 28 LEU CA C 28 58.160 56.871 1.289 1
1 251 . 5 1 1 A 28 28 LEU HA H 28 3.372 2.360 1.012 1
1 252 . 5 1 1 A 28 28 LEU CB C 28 40.641 41.891 -1.250 1
1 264 . 5 1 1 A 28 28 LEU C C 28 178.010 178.127 -0.117 1
1 266 . 5 1 1 A 29 29 ILE N N 29 121.146 119.281 1.865 1
1 267 . 5 1 1 A 29 29 ILE H H 29 8.364 8.281 0.083 1
1 268 . 5 1 1 A 29 29 ILE CA C 29 65.133 65.338 -0.205 1
1 269 . 5 1 1 A 29 29 ILE HA H 29 3.650 3.475 0.175 1
1 270 . 5 1 1 A 29 29 ILE CB C 29 37.476 37.794 -0.318 1
1 282 . 5 1 1 A 29 29 ILE C C 29 179.053 178.455 0.598 1
1 284 . 5 1 1 A 30 30 ILE N N 30 119.869 117.379 2.490 1
1 285 . 5 1 1 A 30 30 ILE H H 30 7.447 7.225 0.222 1
1 286 . 5 1 1 A 30 30 ILE CA C 30 65.067 63.271 1.796 1
1 287 . 5 1 1 A 30 30 ILE HA H 30 3.513 3.923 -0.410 1
1 288 . 5 1 1 A 30 30 ILE CB C 30 38.321 37.471 0.850 1
1 300 . 5 1 1 A 30 30 ILE C C 30 178.755 177.565 1.190 1
1 302 . 5 1 1 A 31 31 HIS N N 31 119.137 121.982 -2.845 1
1 303 . 5 1 1 A 31 31 HIS H H 31 7.717 7.922 -0.205 1
1 304 . 5 1 1 A 31 31 HIS CA C 31 59.468 59.043 0.425 1
1 305 . 5 1 1 A 31 31 HIS HA H 31 4.231 4.251 -0.020 1
1 306 . 5 1 1 A 31 31 HIS CB C 31 28.172 30.130 -1.958 1
1 312 . 5 1 1 A 31 31 HIS C C 31 178.382 177.162 1.220 1
1 314 . 5 1 1 A 32 32 THR N N 32 116.707 115.210 1.497 1
1 315 . 5 1 1 A 32 32 THR H H 32 9.007 8.693 0.314 1
1 316 . 5 1 1 A 32 32 THR CA C 32 66.925 67.103 -0.178 1
1 317 . 5 1 1 A 32 32 THR HA H 32 3.710 4.083 -0.373 1
1 318 . 5 1 1 A 32 32 THR CB C 32 69.079 68.605 0.474 1
1 324 . 5 1 1 A 32 32 THR C C 32 176.003 176.971 -0.968 1
1 325 . 5 1 1 A 33 33 ARG N N 33 119.936 120.076 -0.140 1
1 326 . 5 1 1 A 33 33 ARG H H 33 7.256 7.822 -0.566 1
1 327 . 5 1 1 A 33 33 ARG CA C 33 58.571 58.520 0.051 1
1 328 . 5 1 1 A 33 33 ARG HA H 33 4.219 4.135 0.084 1
1 329 . 5 1 1 A 33 33 ARG CB C 33 29.786 30.250 -0.464 1
1 335 . 5 1 1 A 33 33 ARG C C 33 178.241 177.724 0.517 1
1 339 . 5 1 1 A 34 34 THR N N 34 109.982 111.045 -1.063 1
1 340 . 5 1 1 A 34 34 THR H H 34 7.821 8.404 -0.583 1
1 341 . 5 1 1 A 34 34 THR CA C 34 64.062 64.677 -0.615 1
1 342 . 5 1 1 A 34 34 THR HA H 34 4.111 4.083 0.028 1
1 343 . 5 1 1 A 34 34 THR CB C 34 69.241 68.085 1.156 1
1 349 . 5 1 1 A 34 34 THR C C 34 175.691 175.557 0.134 1
1 350 . 5 1 1 A 35 35 HIS N N 35 118.562 119.156 -0.594 1
1 351 . 5 1 1 A 35 35 HIS H H 35 7.303 8.204 -0.901 1
1 352 . 5 1 1 A 35 35 HIS CA C 35 55.753 56.979 -1.226 1
1 353 . 5 1 1 A 35 35 HIS HA H 35 4.833 4.581 0.252 1
1 354 . 5 1 1 A 35 35 HIS CB C 35 28.760 28.964 -0.204 1
1 360 . 5 1 1 A 35 35 HIS C C 35 175.857 176.444 -0.587 1
1 362 . 5 1 1 A 36 36 THR N N 36 111.405 114.031 -2.626 1
1 363 . 5 1 1 A 36 36 THR H H 36 7.836 7.932 -0.096 1
1 364 . 5 1 1 A 36 36 THR CA C 36 62.358 64.072 -1.714 1
1 365 . 5 1 1 A 36 36 THR HA H 36 4.359 4.186 0.173 1
1 366 . 5 1 1 A 36 36 THR CB C 36 69.861 69.459 0.402 1
1 372 . 5 1 1 A 36 36 THR C C 36 175.557 175.177 0.380 1
1 373 . 5 1 1 A 37 37 GLY N N 37 110.788 107.611 3.177 1
1 374 . 5 1 1 A 37 37 GLY H H 37 8.256 7.458 0.798 1
1 375 . 5 1 1 A 37 37 GLY CA C 37 45.471 45.226 0.245 1
1 376 . 5 1 1 A 37 37 GLY HA3 H 37 3.933 4.054 -0.121 1
1 377 . 5 1 1 A 37 37 GLY C C 37 174.315 173.920 0.395 1
1 378 . 5 1 1 A 37 37 GLY HA2 H 37 4.037 4.048 -0.011 1
1 379 . 5 1 1 A 38 38 GLU N N 38 120.671 121.016 -0.345 1
1 380 . 5 1 1 A 38 38 GLU H H 38 8.139 7.509 0.630 1
1 381 . 5 1 1 A 38 38 GLU CA C 38 56.638 55.231 1.407 1
1 382 . 5 1 1 A 38 38 GLU HA H 38 4.271 4.542 -0.271 1
1 383 . 5 1 1 A 38 38 GLU CB C 38 30.487 30.266 0.221 1
1 387 . 5 1 1 A 38 38 GLU C C 38 176.506 175.099 1.407 1
1 390 . 5 1 1 A 39 39 SER N N 39 116.808 116.756 0.052 1
1 391 . 5 1 1 A 39 39 SER H H 39 8.416 7.592 0.824 1
1 392 . 5 1 1 A 39 39 SER CA C 39 58.427 57.604 0.823 1
1 393 . 5 1 1 A 39 39 SER HA H 39 4.440 4.971 -0.531 1
1 394 . 5 1 1 A 39 39 SER CB C 39 64.030 64.332 -0.302 1
1 396 . 5 1 1 A 39 39 SER C C 39 174.564 173.016 1.548 1
1 398 . 5 1 1 A 40 40 GLY N N 40 110.559 113.255 -2.696 1
1 399 . 5 1 1 A 40 40 GLY H H 40 8.236 9.086 -0.850 1
1 400 . 5 1 1 A 40 40 GLY CA C 40 44.652 46.007 -1.355 1
1 401 . 5 1 1 A 40 40 GLY HA3 H 40 4.045 4.153 -0.108 1
1 402 . 5 1 1 A 40 40 GLY C C 40 171.663 172.725 -1.062 1
1 403 . 5 1 1 A 40 40 GLY HA2 H 40 4.139 4.152 -0.013 1
1 404 . 5 1 1 A 41 41 PRO CA C 41 63.186 62.311 0.875 1
1 405 . 5 1 1 A 41 41 PRO HA H 41 4.459 4.607 -0.148 1
1 406 . 5 1 1 A 41 41 PRO CB C 41 32.141 32.853 -0.712 1
1 412 . 5 1 1 A 41 41 PRO C C 41 177.354 176.617 0.737 1
1 416 . 5 1 1 A 42 42 SER N N 42 116.533 118.267 -1.734 1
1 417 . 5 1 1 A 42 42 SER H H 42 8.540 8.463 0.077 1
1 418 . 5 1 1 A 42 42 SER CA C 42 58.357 58.873 -0.516 1
1 419 . 5 1 1 A 42 42 SER HA H 42 4.458 4.298 0.160 1
1 420 . 5 1 1 A 42 42 SER CB C 42 63.799 63.561 0.238 1
1 422 . 5 1 1 A 42 42 SER C C 42 174.657 175.331 -0.674 1
1 424 . 5 1 1 A 43 43 SER N N 43 117.855 122.188 -4.333 1
1 425 . 5 1 1 A 43 43 SER H H 43 8.309 8.713 -0.404 1
1 426 . 5 1 1 A 43 43 SER CA C 43 58.342 57.834 0.508 1
1 427 . 5 1 1 A 43 43 SER HA H 43 4.451 4.722 -0.271 1
1 428 . 5 1 1 A 43 43 SER CB C 43 64.100 63.450 0.650 1
1 430 . 5 1 1 A 43 43 SER C C 43 173.896 174.125 -0.229 1
1 1 . 6 1 1 A 7 7 GLY CA C 7 45.465 44.935 0.530 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 4.004 4.005 -0.001 1
1 3 . 6 1 1 A 7 7 GLY C C 7 174.505 172.820 1.685 1
1 4 . 6 1 1 A 7 7 GLY HA2 H 7 4.004 4.004 0.000 1
1 5 . 6 1 1 A 8 8 THR N N 8 112.992 113.096 -0.104 1
1 6 . 6 1 1 A 8 8 THR H H 8 8.116 8.278 -0.162 1
1 7 . 6 1 1 A 8 8 THR CA C 8 62.003 60.405 1.598 1
1 8 . 6 1 1 A 8 8 THR HA H 8 4.339 4.647 -0.308 1
1 9 . 6 1 1 A 8 8 THR CB C 8 69.816 70.426 -0.610 1
1 15 . 6 1 1 A 8 8 THR C C 8 175.226 175.014 0.212 1
1 16 . 6 1 1 A 9 9 GLY N N 9 110.864 116.597 -5.733 1
1 17 . 6 1 1 A 9 9 GLY H H 9 8.444 8.615 -0.171 1
1 18 . 6 1 1 A 9 9 GLY CA C 9 45.365 46.985 -1.620 1
1 19 . 6 1 1 A 9 9 GLY HA3 H 9 3.928 3.859 0.069 1
1 20 . 6 1 1 A 9 9 GLY C C 9 174.085 174.970 -0.885 1
1 21 . 6 1 1 A 9 9 GLY HA2 H 9 3.928 3.856 0.072 1
1 22 . 6 1 1 A 10 10 MET N N 10 119.413 119.431 -0.018 1
1 23 . 6 1 1 A 10 10 MET H H 10 8.136 8.108 0.028 1
1 24 . 6 1 1 A 10 10 MET CA C 10 55.711 56.431 -0.720 1
1 25 . 6 1 1 A 10 10 MET HA H 10 4.375 4.582 -0.207 1
1 26 . 6 1 1 A 10 10 MET CB C 10 32.785 34.652 -1.867 1
1 34 . 6 1 1 A 10 10 MET C C 10 176.047 176.192 -0.145 1
1 37 . 6 1 1 A 11 11 LYS N N 11 122.314 117.801 4.513 1
1 38 . 6 1 1 A 11 11 LYS H H 11 8.236 7.489 0.747 1
1 39 . 6 1 1 A 11 11 LYS CA C 11 53.843 53.942 -0.099 1
1 40 . 6 1 1 A 11 11 LYS HA H 11 4.511 4.483 0.028 1
1 41 . 6 1 1 A 11 11 LYS CB C 11 32.984 32.374 0.610 1
1 49 . 6 1 1 A 11 11 LYS C C 11 173.828 176.229 -2.401 1
1 54 . 6 1 1 A 12 12 PRO CA C 12 63.240 65.647 -2.407 1
1 55 . 6 1 1 A 12 12 PRO HA H 12 4.296 4.116 0.180 1
1 56 . 6 1 1 A 12 12 PRO CB C 12 32.231 31.131 1.100 1
1 62 . 6 1 1 A 12 12 PRO C C 12 176.278 177.050 -0.772 1
1 66 . 6 1 1 A 13 13 TYR N N 13 119.354 117.076 2.278 1
1 67 . 6 1 1 A 13 13 TYR H H 13 7.989 8.244 -0.255 1
1 68 . 6 1 1 A 13 13 TYR CA C 13 57.665 57.190 0.475 1
1 69 . 6 1 1 A 13 13 TYR HA H 13 4.568 4.824 -0.256 1
1 70 . 6 1 1 A 13 13 TYR CB C 13 38.332 38.802 -0.470 1
1 80 . 6 1 1 A 13 13 TYR C C 13 174.439 176.048 -1.609 1
1 82 . 6 1 1 A 14 14 VAL N N 14 124.765 121.322 3.443 1
1 83 . 6 1 1 A 14 14 VAL H H 14 8.407 7.356 1.051 1
1 84 . 6 1 1 A 14 14 VAL CA C 14 61.341 62.868 -1.527 1
1 85 . 6 1 1 A 14 14 VAL HA H 14 4.583 4.489 0.094 1
1 86 . 6 1 1 A 14 14 VAL CB C 14 34.420 32.230 2.190 1
1 96 . 6 1 1 A 14 14 VAL C C 14 175.329 175.698 -0.369 1
1 97 . 6 1 1 A 15 15 CYS N N 15 128.696 126.241 2.455 1
1 98 . 6 1 1 A 15 15 CYS H H 15 9.225 9.033 0.192 1
1 99 . 6 1 1 A 15 15 CYS CA C 15 59.512 59.080 0.432 1
1 100 . 6 1 1 A 15 15 CYS HA H 15 4.512 4.658 -0.146 1
1 101 . 6 1 1 A 15 15 CYS CB C 15 29.777 28.136 1.641 1
1 103 . 6 1 1 A 15 15 CYS C C 15 176.992 176.192 0.800 1
1 105 . 6 1 1 A 16 16 ASN N N 16 130.445 126.194 4.251 1
1 106 . 6 1 1 A 16 16 ASN H H 16 9.373 8.975 0.398 1
1 107 . 6 1 1 A 16 16 ASN CA C 16 55.598 55.191 0.407 1
1 108 . 6 1 1 A 16 16 ASN HA H 16 4.521 4.638 -0.117 1
1 109 . 6 1 1 A 16 16 ASN CB C 16 38.593 38.158 0.435 1
1 114 . 6 1 1 A 16 16 ASN C C 16 175.261 176.531 -1.270 1
1 116 . 6 1 1 A 17 17 GLU N N 17 120.657 118.233 2.424 1
1 117 . 6 1 1 A 17 17 GLU H H 17 8.766 7.936 0.830 1
1 118 . 6 1 1 A 17 17 GLU CA C 17 58.253 58.689 -0.436 1
1 119 . 6 1 1 A 17 17 GLU HA H 17 4.225 4.334 -0.109 1
1 120 . 6 1 1 A 17 17 GLU CB C 17 29.552 30.653 -1.101 1
1 124 . 6 1 1 A 17 17 GLU C C 17 177.171 178.421 -1.250 1
1 127 . 6 1 1 A 18 18 CYS N N 18 114.840 114.991 -0.151 1
1 128 . 6 1 1 A 18 18 CYS H H 18 8.023 8.316 -0.293 1
1 129 . 6 1 1 A 18 18 CYS CA C 18 58.322 59.497 -1.175 1
1 130 . 6 1 1 A 18 18 CYS HA H 18 5.169 4.748 0.421 1
1 131 . 6 1 1 A 18 18 CYS CB C 18 32.619 30.228 2.391 1
1 133 . 6 1 1 A 18 18 CYS C C 18 176.373 175.582 0.791 1
1 135 . 6 1 1 A 19 19 GLY N N 19 113.504 110.101 3.403 1
1 136 . 6 1 1 A 19 19 GLY H H 19 8.164 8.646 -0.482 1
1 137 . 6 1 1 A 19 19 GLY CA C 19 46.263 45.227 1.036 1
1 138 . 6 1 1 A 19 19 GLY HA3 H 19 4.177 4.021 0.156 1
1 139 . 6 1 1 A 19 19 GLY C C 19 173.670 174.432 -0.762 1
1 140 . 6 1 1 A 19 19 GLY HA2 H 19 3.743 4.010 -0.267 1
1 141 . 6 1 1 A 20 20 LYS N N 20 122.939 122.538 0.401 1
1 142 . 6 1 1 A 20 20 LYS H H 20 7.950 7.580 0.370 1
1 143 . 6 1 1 A 20 20 LYS CA C 20 58.169 56.359 1.810 1
1 144 . 6 1 1 A 20 20 LYS HA H 20 3.947 4.072 -0.125 1
1 145 . 6 1 1 A 20 20 LYS CB C 20 33.712 32.445 1.267 1
1 153 . 6 1 1 A 20 20 LYS C C 20 173.404 175.552 -2.148 1
1 158 . 6 1 1 A 21 21 ALA N N 21 123.614 129.771 -6.157 1
1 159 . 6 1 1 A 21 21 ALA H H 21 7.752 8.352 -0.600 1
1 160 . 6 1 1 A 21 21 ALA CA C 21 50.174 50.573 -0.399 1
1 161 . 6 1 1 A 21 21 ALA HA H 21 5.114 5.072 0.042 1
1 162 . 6 1 1 A 21 21 ALA CB C 21 22.563 20.650 1.913 1
1 166 . 6 1 1 A 21 21 ALA C C 21 176.523 176.548 -0.025 1
1 167 . 6 1 1 A 22 22 PHE N N 22 116.849 119.259 -2.410 1
1 168 . 6 1 1 A 22 22 PHE H H 22 8.926 8.980 -0.054 1
1 169 . 6 1 1 A 22 22 PHE CA C 22 57.347 57.015 0.332 1
1 170 . 6 1 1 A 22 22 PHE HA H 22 4.736 4.838 -0.102 1
1 171 . 6 1 1 A 22 22 PHE CB C 22 44.094 43.120 0.974 1
1 183 . 6 1 1 A 22 22 PHE C C 22 176.070 176.096 -0.026 1
1 185 . 6 1 1 A 23 23 ARG N N 23 118.853 122.131 -3.278 1
1 186 . 6 1 1 A 23 23 ARG H H 23 9.278 8.941 0.337 1
1 187 . 6 1 1 A 23 23 ARG CA C 23 57.758 57.288 0.470 1
1 188 . 6 1 1 A 23 23 ARG HA H 23 4.507 4.234 0.273 1
1 189 . 6 1 1 A 23 23 ARG CB C 23 31.163 31.508 -0.345 1
1 195 . 6 1 1 A 23 23 ARG C C 23 175.555 175.234 0.321 1
1 199 . 6 1 1 A 24 24 SER N N 24 109.867 111.843 -1.976 1
1 200 . 6 1 1 A 24 24 SER H H 24 7.445 8.134 -0.689 1
1 201 . 6 1 1 A 24 24 SER CA C 24 55.916 57.025 -1.109 1
1 202 . 6 1 1 A 24 24 SER HA H 24 4.716 4.180 0.536 1
1 203 . 6 1 1 A 24 24 SER CB C 24 66.155 66.359 -0.204 1
1 205 . 6 1 1 A 24 24 SER C C 24 173.335 174.247 -0.912 1
1 207 . 6 1 1 A 25 25 LYS N N 25 125.390 125.533 -0.143 1
1 208 . 6 1 1 A 25 25 LYS H H 25 8.308 8.796 -0.488 1
1 209 . 6 1 1 A 25 25 LYS CA C 25 59.004 60.136 -1.132 1
1 210 . 6 1 1 A 25 25 LYS HA H 25 3.212 4.147 -0.935 1
1 211 . 6 1 1 A 25 25 LYS CB C 25 31.811 32.261 -0.450 1
1 219 . 6 1 1 A 25 25 LYS C C 25 178.128 177.831 0.297 1
1 224 . 6 1 1 A 26 26 SER N N 26 113.087 114.348 -1.261 1
1 225 . 6 1 1 A 26 26 SER H H 26 8.198 7.883 0.315 1
1 226 . 6 1 1 A 26 26 SER CA C 26 61.434 60.717 0.717 1
1 227 . 6 1 1 A 26 26 SER HA H 26 3.944 4.121 -0.177 1
1 228 . 6 1 1 A 26 26 SER CB C 26 61.936 62.977 -1.041 1
1 230 . 6 1 1 A 26 26 SER C C 26 176.875 176.608 0.267 1
1 232 . 6 1 1 A 27 27 TYR N N 27 119.500 119.043 0.457 1
1 233 . 6 1 1 A 27 27 TYR H H 27 7.262 7.567 -0.305 1
1 234 . 6 1 1 A 27 27 TYR CA C 27 59.906 60.948 -1.042 1
1 235 . 6 1 1 A 27 27 TYR HA H 27 4.245 4.164 0.081 1
1 236 . 6 1 1 A 27 27 TYR CB C 27 37.518 37.548 -0.030 1
1 246 . 6 1 1 A 27 27 TYR C C 27 178.410 178.074 0.336 1
1 248 . 6 1 1 A 28 28 LEU N N 28 122.215 120.559 1.656 1
1 249 . 6 1 1 A 28 28 LEU H H 28 7.340 7.874 -0.534 1
1 250 . 6 1 1 A 28 28 LEU CA C 28 58.160 57.075 1.085 1
1 251 . 6 1 1 A 28 28 LEU HA H 28 3.372 3.122 0.250 1
1 252 . 6 1 1 A 28 28 LEU CB C 28 40.641 41.981 -1.340 1
1 264 . 6 1 1 A 28 28 LEU C C 28 178.010 178.562 -0.552 1
1 266 . 6 1 1 A 29 29 ILE N N 29 121.146 118.731 2.415 1
1 267 . 6 1 1 A 29 29 ILE H H 29 8.364 7.794 0.570 1
1 268 . 6 1 1 A 29 29 ILE CA C 29 65.133 65.060 0.073 1
1 269 . 6 1 1 A 29 29 ILE HA H 29 3.650 3.658 -0.008 1
1 270 . 6 1 1 A 29 29 ILE CB C 29 37.476 37.867 -0.391 1
1 282 . 6 1 1 A 29 29 ILE C C 29 179.053 178.476 0.577 1
1 284 . 6 1 1 A 30 30 ILE N N 30 119.869 117.395 2.474 1
1 285 . 6 1 1 A 30 30 ILE H H 30 7.447 7.737 -0.290 1
1 286 . 6 1 1 A 30 30 ILE CA C 30 65.067 63.546 1.521 1
1 287 . 6 1 1 A 30 30 ILE HA H 30 3.513 3.925 -0.412 1
1 288 . 6 1 1 A 30 30 ILE CB C 30 38.321 37.463 0.858 1
1 300 . 6 1 1 A 30 30 ILE C C 30 178.755 177.618 1.137 1
1 302 . 6 1 1 A 31 31 HIS N N 31 119.137 122.108 -2.971 1
1 303 . 6 1 1 A 31 31 HIS H H 31 7.717 8.022 -0.305 1
1 304 . 6 1 1 A 31 31 HIS CA C 31 59.468 59.010 0.458 1
1 305 . 6 1 1 A 31 31 HIS HA H 31 4.231 4.292 -0.061 1
1 306 . 6 1 1 A 31 31 HIS CB C 31 28.172 30.295 -2.123 1
1 312 . 6 1 1 A 31 31 HIS C C 31 178.382 177.310 1.072 1
1 314 . 6 1 1 A 32 32 THR N N 32 116.707 114.481 2.226 1
1 315 . 6 1 1 A 32 32 THR H H 32 9.007 8.768 0.239 1
1 316 . 6 1 1 A 32 32 THR CA C 32 66.925 66.788 0.137 1
1 317 . 6 1 1 A 32 32 THR HA H 32 3.710 3.912 -0.202 1
1 318 . 6 1 1 A 32 32 THR CB C 32 69.079 68.793 0.286 1
1 324 . 6 1 1 A 32 32 THR C C 32 176.003 176.937 -0.934 1
1 325 . 6 1 1 A 33 33 ARG N N 33 119.936 120.550 -0.614 1
1 326 . 6 1 1 A 33 33 ARG H H 33 7.256 7.879 -0.623 1
1 327 . 6 1 1 A 33 33 ARG CA C 33 58.571 58.787 -0.216 1
1 328 . 6 1 1 A 33 33 ARG HA H 33 4.219 4.095 0.124 1
1 329 . 6 1 1 A 33 33 ARG CB C 33 29.786 29.966 -0.180 1
1 335 . 6 1 1 A 33 33 ARG C C 33 178.241 178.396 -0.155 1
1 339 . 6 1 1 A 34 34 THR N N 34 109.982 114.756 -4.774 1
1 340 . 6 1 1 A 34 34 THR H H 34 7.821 8.369 -0.548 1
1 341 . 6 1 1 A 34 34 THR CA C 34 64.062 65.240 -1.178 1
1 342 . 6 1 1 A 34 34 THR HA H 34 4.111 3.943 0.168 1
1 343 . 6 1 1 A 34 34 THR CB C 34 69.241 68.825 0.416 1
1 349 . 6 1 1 A 34 34 THR C C 34 175.691 176.445 -0.754 1
1 350 . 6 1 1 A 35 35 HIS N N 35 118.562 120.060 -1.498 1
1 351 . 6 1 1 A 35 35 HIS H H 35 7.303 8.102 -0.799 1
1 352 . 6 1 1 A 35 35 HIS CA C 35 55.753 58.415 -2.662 1
1 353 . 6 1 1 A 35 35 HIS HA H 35 4.833 4.343 0.490 1
1 354 . 6 1 1 A 35 35 HIS CB C 35 28.760 29.370 -0.610 1
1 360 . 6 1 1 A 35 35 HIS C C 35 175.857 177.611 -1.754 1
1 362 . 6 1 1 A 36 36 THR N N 36 111.405 115.340 -3.935 1
1 363 . 6 1 1 A 36 36 THR H H 36 7.836 8.372 -0.536 1
1 364 . 6 1 1 A 36 36 THR CA C 36 62.358 66.451 -4.093 1
1 365 . 6 1 1 A 36 36 THR HA H 36 4.359 3.915 0.444 1
1 366 . 6 1 1 A 36 36 THR CB C 36 69.861 68.017 1.844 1
1 372 . 6 1 1 A 36 36 THR C C 36 175.557 176.075 -0.518 1
1 373 . 6 1 1 A 37 37 GLY N N 37 110.788 108.464 2.324 1
1 374 . 6 1 1 A 37 37 GLY H H 37 8.256 7.983 0.273 1
1 375 . 6 1 1 A 37 37 GLY CA C 37 45.471 45.806 -0.335 1
1 376 . 6 1 1 A 37 37 GLY HA3 H 37 3.933 3.985 -0.052 1
1 377 . 6 1 1 A 37 37 GLY C C 37 174.315 174.580 -0.265 1
1 378 . 6 1 1 A 37 37 GLY HA2 H 37 4.037 3.980 0.057 1
1 379 . 6 1 1 A 38 38 GLU N N 38 120.671 120.193 0.478 1
1 380 . 6 1 1 A 38 38 GLU H H 38 8.139 7.638 0.501 1
1 381 . 6 1 1 A 38 38 GLU CA C 38 56.638 57.861 -1.223 1
1 382 . 6 1 1 A 38 38 GLU HA H 38 4.271 4.381 -0.110 1
1 383 . 6 1 1 A 38 38 GLU CB C 38 30.487 31.062 -0.575 1
1 387 . 6 1 1 A 38 38 GLU C C 38 176.506 177.941 -1.435 1
1 390 . 6 1 1 A 39 39 SER N N 39 116.808 113.139 3.669 1
1 391 . 6 1 1 A 39 39 SER H H 39 8.416 8.216 0.200 1
1 392 . 6 1 1 A 39 39 SER CA C 39 58.427 60.625 -2.198 1
1 393 . 6 1 1 A 39 39 SER HA H 39 4.440 4.469 -0.029 1
1 394 . 6 1 1 A 39 39 SER CB C 39 64.030 64.228 -0.198 1
1 396 . 6 1 1 A 39 39 SER C C 39 174.564 174.853 -0.289 1
1 398 . 6 1 1 A 40 40 GLY N N 40 110.559 104.864 5.695 1
1 399 . 6 1 1 A 40 40 GLY H H 40 8.236 7.443 0.793 1
1 400 . 6 1 1 A 40 40 GLY CA C 40 44.652 45.278 -0.626 1
1 401 . 6 1 1 A 40 40 GLY HA3 H 40 4.045 4.043 0.002 1
1 402 . 6 1 1 A 40 40 GLY C C 40 171.663 171.067 0.596 1
1 403 . 6 1 1 A 40 40 GLY HA2 H 40 4.139 4.040 0.099 1
1 404 . 6 1 1 A 41 41 PRO CA C 41 63.186 62.764 0.422 1
1 405 . 6 1 1 A 41 41 PRO HA H 41 4.459 4.762 -0.303 1
1 406 . 6 1 1 A 41 41 PRO CB C 41 32.141 31.728 0.413 1
1 412 . 6 1 1 A 41 41 PRO C C 41 177.354 175.894 1.460 1
1 416 . 6 1 1 A 42 42 SER N N 42 116.533 120.452 -3.919 1
1 417 . 6 1 1 A 42 42 SER H H 42 8.540 8.693 -0.153 1
1 418 . 6 1 1 A 42 42 SER CA C 42 58.357 57.858 0.499 1
1 419 . 6 1 1 A 42 42 SER HA H 42 4.458 4.886 -0.428 1
1 420 . 6 1 1 A 42 42 SER CB C 42 63.799 65.493 -1.694 1
1 422 . 6 1 1 A 42 42 SER C C 42 174.657 173.520 1.137 1
1 424 . 6 1 1 A 43 43 SER N N 43 117.855 121.988 -4.133 1
1 425 . 6 1 1 A 43 43 SER H H 43 8.309 8.932 -0.623 1
1 426 . 6 1 1 A 43 43 SER CA C 43 58.342 59.267 -0.925 1
1 427 . 6 1 1 A 43 43 SER HA H 43 4.451 4.506 -0.055 1
1 428 . 6 1 1 A 43 43 SER CB C 43 64.100 64.023 0.077 1
1 430 . 6 1 1 A 43 43 SER C C 43 173.896 174.680 -0.784 1
1 1 . 7 1 1 A 7 7 GLY CA C 7 45.465 44.821 0.644 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 4.004 4.234 -0.230 1
1 3 . 7 1 1 A 7 7 GLY C C 7 174.505 174.551 -0.046 1
1 4 . 7 1 1 A 7 7 GLY HA2 H 7 4.004 4.234 -0.230 1
1 5 . 7 1 1 A 8 8 THR N N 8 112.992 116.322 -3.330 1
1 6 . 7 1 1 A 8 8 THR H H 8 8.116 8.649 -0.533 1
1 7 . 7 1 1 A 8 8 THR CA C 8 62.003 63.326 -1.323 1
1 8 . 7 1 1 A 8 8 THR HA H 8 4.339 4.210 0.129 1
1 9 . 7 1 1 A 8 8 THR CB C 8 69.816 69.893 -0.077 1
1 15 . 7 1 1 A 8 8 THR C C 8 175.226 174.623 0.603 1
1 16 . 7 1 1 A 9 9 GLY N N 9 110.864 110.260 0.604 1
1 17 . 7 1 1 A 9 9 GLY H H 9 8.444 7.813 0.631 1
1 18 . 7 1 1 A 9 9 GLY CA C 9 45.365 45.489 -0.124 1
1 19 . 7 1 1 A 9 9 GLY HA3 H 9 3.928 4.077 -0.149 1
1 20 . 7 1 1 A 9 9 GLY C C 9 174.085 173.939 0.146 1
1 21 . 7 1 1 A 9 9 GLY HA2 H 9 3.928 4.074 -0.146 1
1 22 . 7 1 1 A 10 10 MET N N 10 119.413 122.909 -3.496 1
1 23 . 7 1 1 A 10 10 MET H H 10 8.136 8.013 0.123 1
1 24 . 7 1 1 A 10 10 MET CA C 10 55.711 55.569 0.142 1
1 25 . 7 1 1 A 10 10 MET HA H 10 4.375 4.590 -0.215 1
1 26 . 7 1 1 A 10 10 MET CB C 10 32.785 34.076 -1.291 1
1 34 . 7 1 1 A 10 10 MET C C 10 176.047 176.380 -0.333 1
1 37 . 7 1 1 A 11 11 LYS N N 11 122.314 121.681 0.633 1
1 38 . 7 1 1 A 11 11 LYS H H 11 8.236 8.433 -0.197 1
1 39 . 7 1 1 A 11 11 LYS CA C 11 53.843 55.452 -1.609 1
1 40 . 7 1 1 A 11 11 LYS HA H 11 4.511 4.326 0.185 1
1 41 . 7 1 1 A 11 11 LYS CB C 11 32.984 32.005 0.979 1
1 49 . 7 1 1 A 11 11 LYS C C 11 173.828 177.167 -3.339 1
1 54 . 7 1 1 A 12 12 PRO CA C 12 63.240 65.655 -2.415 1
1 55 . 7 1 1 A 12 12 PRO HA H 12 4.296 4.142 0.154 1
1 56 . 7 1 1 A 12 12 PRO CB C 12 32.231 31.203 1.028 1
1 62 . 7 1 1 A 12 12 PRO C C 12 176.278 177.076 -0.798 1
1 66 . 7 1 1 A 13 13 TYR N N 13 119.354 117.218 2.136 1
1 67 . 7 1 1 A 13 13 TYR H H 13 7.989 8.246 -0.257 1
1 68 . 7 1 1 A 13 13 TYR CA C 13 57.665 57.456 0.209 1
1 69 . 7 1 1 A 13 13 TYR HA H 13 4.568 4.782 -0.214 1
1 70 . 7 1 1 A 13 13 TYR CB C 13 38.332 38.836 -0.504 1
1 80 . 7 1 1 A 13 13 TYR C C 13 174.439 176.002 -1.563 1
1 82 . 7 1 1 A 14 14 VAL N N 14 124.765 120.896 3.869 1
1 83 . 7 1 1 A 14 14 VAL H H 14 8.407 7.374 1.033 1
1 84 . 7 1 1 A 14 14 VAL CA C 14 61.341 62.769 -1.428 1
1 85 . 7 1 1 A 14 14 VAL HA H 14 4.583 4.476 0.107 1
1 86 . 7 1 1 A 14 14 VAL CB C 14 34.420 32.266 2.154 1
1 96 . 7 1 1 A 14 14 VAL C C 14 175.329 175.853 -0.524 1
1 97 . 7 1 1 A 15 15 CYS N N 15 128.696 127.174 1.522 1
1 98 . 7 1 1 A 15 15 CYS H H 15 9.225 9.104 0.121 1
1 99 . 7 1 1 A 15 15 CYS CA C 15 59.512 59.804 -0.292 1
1 100 . 7 1 1 A 15 15 CYS HA H 15 4.512 4.578 -0.066 1
1 101 . 7 1 1 A 15 15 CYS CB C 15 29.777 28.623 1.154 1
1 103 . 7 1 1 A 15 15 CYS C C 15 176.992 175.818 1.174 1
1 105 . 7 1 1 A 16 16 ASN N N 16 130.445 126.543 3.902 1
1 106 . 7 1 1 A 16 16 ASN H H 16 9.373 9.036 0.337 1
1 107 . 7 1 1 A 16 16 ASN CA C 16 55.598 53.376 2.222 1
1 108 . 7 1 1 A 16 16 ASN HA H 16 4.521 4.906 -0.385 1
1 109 . 7 1 1 A 16 16 ASN CB C 16 38.593 38.738 -0.145 1
1 114 . 7 1 1 A 16 16 ASN C C 16 175.261 175.732 -0.471 1
1 116 . 7 1 1 A 17 17 GLU N N 17 120.657 117.651 3.006 1
1 117 . 7 1 1 A 17 17 GLU H H 17 8.766 8.014 0.752 1
1 118 . 7 1 1 A 17 17 GLU CA C 17 58.253 57.157 1.096 1
1 119 . 7 1 1 A 17 17 GLU HA H 17 4.225 4.514 -0.289 1
1 120 . 7 1 1 A 17 17 GLU CB C 17 29.552 32.417 -2.865 1
1 124 . 7 1 1 A 17 17 GLU C C 17 177.171 177.689 -0.518 1
1 127 . 7 1 1 A 18 18 CYS N N 18 114.840 115.237 -0.397 1
1 128 . 7 1 1 A 18 18 CYS H H 18 8.023 8.122 -0.099 1
1 129 . 7 1 1 A 18 18 CYS CA C 18 58.322 59.275 -0.953 1
1 130 . 7 1 1 A 18 18 CYS HA H 18 5.169 4.721 0.448 1
1 131 . 7 1 1 A 18 18 CYS CB C 18 32.619 30.392 2.227 1
1 133 . 7 1 1 A 18 18 CYS C C 18 176.373 175.687 0.686 1
1 135 . 7 1 1 A 19 19 GLY N N 19 113.504 110.312 3.192 1
1 136 . 7 1 1 A 19 19 GLY H H 19 8.164 7.904 0.260 1
1 137 . 7 1 1 A 19 19 GLY CA C 19 46.263 45.260 1.003 1
1 138 . 7 1 1 A 19 19 GLY HA3 H 19 4.177 4.059 0.118 1
1 139 . 7 1 1 A 19 19 GLY C C 19 173.670 174.440 -0.770 1
1 140 . 7 1 1 A 19 19 GLY HA2 H 19 3.743 4.050 -0.307 1
1 141 . 7 1 1 A 20 20 LYS N N 20 122.939 122.493 0.446 1
1 142 . 7 1 1 A 20 20 LYS H H 20 7.950 7.600 0.350 1
1 143 . 7 1 1 A 20 20 LYS CA C 20 58.169 55.699 2.470 1
1 144 . 7 1 1 A 20 20 LYS HA H 20 3.947 4.257 -0.310 1
1 145 . 7 1 1 A 20 20 LYS CB C 20 33.712 32.696 1.016 1
1 153 . 7 1 1 A 20 20 LYS C C 20 173.404 175.770 -2.366 1
1 158 . 7 1 1 A 21 21 ALA N N 21 123.614 129.862 -6.248 1
1 159 . 7 1 1 A 21 21 ALA H H 21 7.752 8.350 -0.598 1
1 160 . 7 1 1 A 21 21 ALA CA C 21 50.174 51.168 -0.994 1
1 161 . 7 1 1 A 21 21 ALA HA H 21 5.114 5.157 -0.043 1
1 162 . 7 1 1 A 21 21 ALA CB C 21 22.563 20.663 1.900 1
1 166 . 7 1 1 A 21 21 ALA C C 21 176.523 176.591 -0.068 1
1 167 . 7 1 1 A 22 22 PHE N N 22 116.849 117.700 -0.851 1
1 168 . 7 1 1 A 22 22 PHE H H 22 8.926 8.900 0.026 1
1 169 . 7 1 1 A 22 22 PHE CA C 22 57.347 57.030 0.317 1
1 170 . 7 1 1 A 22 22 PHE HA H 22 4.736 4.858 -0.122 1
1 171 . 7 1 1 A 22 22 PHE CB C 22 44.094 43.509 0.585 1
1 183 . 7 1 1 A 22 22 PHE C C 22 176.070 175.719 0.351 1
1 185 . 7 1 1 A 23 23 ARG N N 23 118.853 120.541 -1.688 1
1 186 . 7 1 1 A 23 23 ARG H H 23 9.278 9.092 0.186 1
1 187 . 7 1 1 A 23 23 ARG CA C 23 57.758 57.105 0.653 1
1 188 . 7 1 1 A 23 23 ARG HA H 23 4.507 4.284 0.223 1
1 189 . 7 1 1 A 23 23 ARG CB C 23 31.163 31.540 -0.377 1
1 195 . 7 1 1 A 23 23 ARG C C 23 175.555 176.022 -0.467 1
1 199 . 7 1 1 A 24 24 SER N N 24 109.867 112.152 -2.285 1
1 200 . 7 1 1 A 24 24 SER H H 24 7.445 7.901 -0.456 1
1 201 . 7 1 1 A 24 24 SER CA C 24 55.916 55.456 0.460 1
1 202 . 7 1 1 A 24 24 SER HA H 24 4.716 4.265 0.451 1
1 203 . 7 1 1 A 24 24 SER CB C 24 66.155 66.333 -0.178 1
1 205 . 7 1 1 A 24 24 SER C C 24 173.335 175.235 -1.900 1
1 207 . 7 1 1 A 25 25 LYS N N 25 125.390 122.979 2.411 1
1 208 . 7 1 1 A 25 25 LYS H H 25 8.308 8.990 -0.682 1
1 209 . 7 1 1 A 25 25 LYS CA C 25 59.004 59.386 -0.382 1
1 210 . 7 1 1 A 25 25 LYS HA H 25 3.212 4.222 -1.010 1
1 211 . 7 1 1 A 25 25 LYS CB C 25 31.811 32.147 -0.336 1
1 219 . 7 1 1 A 25 25 LYS C C 25 178.128 177.635 0.493 1
1 224 . 7 1 1 A 26 26 SER N N 26 113.087 114.462 -1.375 1
1 225 . 7 1 1 A 26 26 SER H H 26 8.198 7.903 0.295 1
1 226 . 7 1 1 A 26 26 SER CA C 26 61.434 60.665 0.769 1
1 227 . 7 1 1 A 26 26 SER HA H 26 3.944 4.197 -0.253 1
1 228 . 7 1 1 A 26 26 SER CB C 26 61.936 62.953 -1.017 1
1 230 . 7 1 1 A 26 26 SER C C 26 176.875 176.959 -0.084 1
1 232 . 7 1 1 A 27 27 TYR N N 27 119.500 119.451 0.049 1
1 233 . 7 1 1 A 27 27 TYR H H 27 7.262 7.582 -0.320 1
1 234 . 7 1 1 A 27 27 TYR CA C 27 59.906 61.151 -1.245 1
1 235 . 7 1 1 A 27 27 TYR HA H 27 4.245 4.218 0.027 1
1 236 . 7 1 1 A 27 27 TYR CB C 27 37.518 37.930 -0.412 1
1 246 . 7 1 1 A 27 27 TYR C C 27 178.410 178.327 0.083 1
1 248 . 7 1 1 A 28 28 LEU N N 28 122.215 120.408 1.807 1
1 249 . 7 1 1 A 28 28 LEU H H 28 7.340 7.860 -0.520 1
1 250 . 7 1 1 A 28 28 LEU CA C 28 58.160 56.880 1.280 1
1 251 . 7 1 1 A 28 28 LEU HA H 28 3.372 3.028 0.344 1
1 252 . 7 1 1 A 28 28 LEU CB C 28 40.641 41.586 -0.945 1
1 264 . 7 1 1 A 28 28 LEU C C 28 178.010 178.604 -0.594 1
1 266 . 7 1 1 A 29 29 ILE N N 29 121.146 118.770 2.376 1
1 267 . 7 1 1 A 29 29 ILE H H 29 8.364 7.711 0.653 1
1 268 . 7 1 1 A 29 29 ILE CA C 29 65.133 64.416 0.717 1
1 269 . 7 1 1 A 29 29 ILE HA H 29 3.650 3.691 -0.041 1
1 270 . 7 1 1 A 29 29 ILE CB C 29 37.476 37.569 -0.093 1
1 282 . 7 1 1 A 29 29 ILE C C 29 179.053 178.283 0.770 1
1 284 . 7 1 1 A 30 30 ILE N N 30 119.869 116.519 3.350 1
1 285 . 7 1 1 A 30 30 ILE H H 30 7.447 7.601 -0.154 1
1 286 . 7 1 1 A 30 30 ILE CA C 30 65.067 63.629 1.438 1
1 287 . 7 1 1 A 30 30 ILE HA H 30 3.513 3.970 -0.457 1
1 288 . 7 1 1 A 30 30 ILE CB C 30 38.321 37.429 0.892 1
1 300 . 7 1 1 A 30 30 ILE C C 30 178.755 177.906 0.849 1
1 302 . 7 1 1 A 31 31 HIS N N 31 119.137 121.938 -2.801 1
1 303 . 7 1 1 A 31 31 HIS H H 31 7.717 8.037 -0.320 1
1 304 . 7 1 1 A 31 31 HIS CA C 31 59.468 59.038 0.430 1
1 305 . 7 1 1 A 31 31 HIS HA H 31 4.231 4.312 -0.081 1
1 306 . 7 1 1 A 31 31 HIS CB C 31 28.172 30.360 -2.188 1
1 312 . 7 1 1 A 31 31 HIS C C 31 178.382 177.245 1.137 1
1 314 . 7 1 1 A 32 32 THR N N 32 116.707 113.935 2.772 1
1 315 . 7 1 1 A 32 32 THR H H 32 9.007 8.615 0.392 1
1 316 . 7 1 1 A 32 32 THR CA C 32 66.925 65.381 1.544 1
1 317 . 7 1 1 A 32 32 THR HA H 32 3.710 4.168 -0.458 1
1 318 . 7 1 1 A 32 32 THR CB C 32 69.079 68.832 0.247 1
1 324 . 7 1 1 A 32 32 THR C C 32 176.003 176.911 -0.908 1
1 325 . 7 1 1 A 33 33 ARG N N 33 119.936 120.185 -0.249 1
1 326 . 7 1 1 A 33 33 ARG H H 33 7.256 7.875 -0.619 1
1 327 . 7 1 1 A 33 33 ARG CA C 33 58.571 58.842 -0.271 1
1 328 . 7 1 1 A 33 33 ARG HA H 33 4.219 4.123 0.096 1
1 329 . 7 1 1 A 33 33 ARG CB C 33 29.786 29.766 0.020 1
1 335 . 7 1 1 A 33 33 ARG C C 33 178.241 177.899 0.342 1
1 339 . 7 1 1 A 34 34 THR N N 34 109.982 110.878 -0.896 1
1 340 . 7 1 1 A 34 34 THR H H 34 7.821 7.710 0.111 1
1 341 . 7 1 1 A 34 34 THR CA C 34 64.062 65.434 -1.372 1
1 342 . 7 1 1 A 34 34 THR HA H 34 4.111 4.021 0.090 1
1 343 . 7 1 1 A 34 34 THR CB C 34 69.241 68.228 1.013 1
1 349 . 7 1 1 A 34 34 THR C C 34 175.691 176.767 -1.076 1
1 350 . 7 1 1 A 35 35 HIS N N 35 118.562 119.828 -1.266 1
1 351 . 7 1 1 A 35 35 HIS H H 35 7.303 7.882 -0.579 1
1 352 . 7 1 1 A 35 35 HIS CA C 35 55.753 58.816 -3.063 1
1 353 . 7 1 1 A 35 35 HIS HA H 35 4.833 4.300 0.533 1
1 354 . 7 1 1 A 35 35 HIS CB C 35 28.760 29.622 -0.862 1
1 360 . 7 1 1 A 35 35 HIS C C 35 175.857 177.888 -2.031 1
1 362 . 7 1 1 A 36 36 THR N N 36 111.405 110.855 0.550 1
1 363 . 7 1 1 A 36 36 THR H H 36 7.836 7.753 0.083 1
1 364 . 7 1 1 A 36 36 THR CA C 36 62.358 64.915 -2.557 1
1 365 . 7 1 1 A 36 36 THR HA H 36 4.359 4.052 0.307 1
1 366 . 7 1 1 A 36 36 THR CB C 36 69.861 69.434 0.427 1
1 372 . 7 1 1 A 36 36 THR C C 36 175.557 174.885 0.672 1
1 373 . 7 1 1 A 37 37 GLY N N 37 110.788 108.435 2.353 1
1 374 . 7 1 1 A 37 37 GLY H H 37 8.256 8.002 0.254 1
1 375 . 7 1 1 A 37 37 GLY CA C 37 45.471 45.506 -0.035 1
1 376 . 7 1 1 A 37 37 GLY HA3 H 37 3.933 4.034 -0.101 1
1 377 . 7 1 1 A 37 37 GLY C C 37 174.315 174.344 -0.029 1
1 378 . 7 1 1 A 37 37 GLY HA2 H 37 4.037 4.022 0.015 1
1 379 . 7 1 1 A 38 38 GLU N N 38 120.671 121.339 -0.668 1
1 380 . 7 1 1 A 38 38 GLU H H 38 8.139 7.904 0.235 1
1 381 . 7 1 1 A 38 38 GLU CA C 38 56.638 55.193 1.445 1
1 382 . 7 1 1 A 38 38 GLU HA H 38 4.271 4.442 -0.171 1
1 383 . 7 1 1 A 38 38 GLU CB C 38 30.487 29.838 0.649 1
1 387 . 7 1 1 A 38 38 GLU C C 38 176.506 175.499 1.007 1
1 390 . 7 1 1 A 39 39 SER N N 39 116.808 115.037 1.771 1
1 391 . 7 1 1 A 39 39 SER H H 39 8.416 7.580 0.836 1
1 392 . 7 1 1 A 39 39 SER CA C 39 58.427 58.870 -0.443 1
1 393 . 7 1 1 A 39 39 SER HA H 39 4.440 4.519 -0.079 1
1 394 . 7 1 1 A 39 39 SER CB C 39 64.030 63.417 0.613 1
1 396 . 7 1 1 A 39 39 SER C C 39 174.564 174.335 0.229 1
1 398 . 7 1 1 A 40 40 GLY N N 40 110.559 109.034 1.525 1
1 399 . 7 1 1 A 40 40 GLY H H 40 8.236 8.482 -0.246 1
1 400 . 7 1 1 A 40 40 GLY CA C 40 44.652 44.398 0.254 1
1 401 . 7 1 1 A 40 40 GLY HA3 H 40 4.045 4.198 -0.153 1
1 402 . 7 1 1 A 40 40 GLY C C 40 171.663 173.990 -2.327 1
1 403 . 7 1 1 A 40 40 GLY HA2 H 40 4.139 4.198 -0.059 1
1 404 . 7 1 1 A 41 41 PRO CA C 41 63.186 63.463 -0.277 1
1 405 . 7 1 1 A 41 41 PRO HA H 41 4.459 4.558 -0.099 1
1 406 . 7 1 1 A 41 41 PRO CB C 41 32.141 32.039 0.102 1
1 412 . 7 1 1 A 41 41 PRO C C 41 177.354 176.632 0.722 1
1 416 . 7 1 1 A 42 42 SER N N 42 116.533 115.073 1.460 1
1 417 . 7 1 1 A 42 42 SER H H 42 8.540 7.645 0.895 1
1 418 . 7 1 1 A 42 42 SER CA C 42 58.357 58.606 -0.249 1
1 419 . 7 1 1 A 42 42 SER HA H 42 4.458 4.324 0.134 1
1 420 . 7 1 1 A 42 42 SER CB C 42 63.799 63.786 0.013 1
1 422 . 7 1 1 A 42 42 SER C C 42 174.657 173.886 0.771 1
1 424 . 7 1 1 A 43 43 SER N N 43 117.855 116.760 1.095 1
1 425 . 7 1 1 A 43 43 SER H H 43 8.309 8.652 -0.343 1
1 426 . 7 1 1 A 43 43 SER CA C 43 58.342 57.367 0.975 1
1 427 . 7 1 1 A 43 43 SER HA H 43 4.451 4.951 -0.500 1
1 428 . 7 1 1 A 43 43 SER CB C 43 64.100 65.336 -1.236 1
1 430 . 7 1 1 A 43 43 SER C C 43 173.896 172.956 0.940 1
1 1 . 8 1 1 A 7 7 GLY CA C 7 45.465 45.246 0.219 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 4.004 4.152 -0.148 1
1 3 . 8 1 1 A 7 7 GLY C C 7 174.505 172.460 2.045 1
1 4 . 8 1 1 A 7 7 GLY HA2 H 7 4.004 4.151 -0.147 1
1 5 . 8 1 1 A 8 8 THR N N 8 112.992 118.603 -5.611 1
1 6 . 8 1 1 A 8 8 THR H H 8 8.116 8.518 -0.402 1
1 7 . 8 1 1 A 8 8 THR CA C 8 62.003 60.133 1.870 1
1 8 . 8 1 1 A 8 8 THR HA H 8 4.339 5.114 -0.775 1
1 9 . 8 1 1 A 8 8 THR CB C 8 69.816 70.977 -1.161 1
1 15 . 8 1 1 A 8 8 THR C C 8 175.226 174.387 0.839 1
1 16 . 8 1 1 A 9 9 GLY N N 9 110.864 112.147 -1.283 1
1 17 . 8 1 1 A 9 9 GLY H H 9 8.444 8.348 0.096 1
1 18 . 8 1 1 A 9 9 GLY CA C 9 45.365 45.668 -0.303 1
1 19 . 8 1 1 A 9 9 GLY HA3 H 9 3.928 4.191 -0.263 1
1 20 . 8 1 1 A 9 9 GLY C C 9 174.085 172.266 1.819 1
1 21 . 8 1 1 A 9 9 GLY HA2 H 9 3.928 4.178 -0.250 1
1 22 . 8 1 1 A 10 10 MET N N 10 119.413 118.452 0.961 1
1 23 . 8 1 1 A 10 10 MET H H 10 8.136 8.319 -0.183 1
1 24 . 8 1 1 A 10 10 MET CA C 10 55.711 54.296 1.415 1
1 25 . 8 1 1 A 10 10 MET HA H 10 4.375 4.807 -0.432 1
1 26 . 8 1 1 A 10 10 MET CB C 10 32.785 35.846 -3.061 1
1 34 . 8 1 1 A 10 10 MET C C 10 176.047 174.820 1.227 1
1 37 . 8 1 1 A 11 11 LYS N N 11 122.314 117.214 5.100 1
1 38 . 8 1 1 A 11 11 LYS H H 11 8.236 8.749 -0.513 1
1 39 . 8 1 1 A 11 11 LYS CA C 11 53.843 56.819 -2.976 1
1 40 . 8 1 1 A 11 11 LYS HA H 11 4.511 3.815 0.696 1
1 41 . 8 1 1 A 11 11 LYS CB C 11 32.984 29.882 3.102 1
1 49 . 8 1 1 A 11 11 LYS C C 11 173.828 176.612 -2.784 1
1 54 . 8 1 1 A 12 12 PRO CA C 12 63.240 65.504 -2.264 1
1 55 . 8 1 1 A 12 12 PRO HA H 12 4.296 4.117 0.179 1
1 56 . 8 1 1 A 12 12 PRO CB C 12 32.231 30.540 1.691 1
1 62 . 8 1 1 A 12 12 PRO C C 12 176.278 176.240 0.038 1
1 66 . 8 1 1 A 13 13 TYR N N 13 119.354 115.856 3.498 1
1 67 . 8 1 1 A 13 13 TYR H H 13 7.989 7.980 0.009 1
1 68 . 8 1 1 A 13 13 TYR CA C 13 57.665 57.412 0.253 1
1 69 . 8 1 1 A 13 13 TYR HA H 13 4.568 4.934 -0.366 1
1 70 . 8 1 1 A 13 13 TYR CB C 13 38.332 39.240 -0.908 1
1 80 . 8 1 1 A 13 13 TYR C C 13 174.439 175.828 -1.389 1
1 82 . 8 1 1 A 14 14 VAL N N 14 124.765 121.405 3.360 1
1 83 . 8 1 1 A 14 14 VAL H H 14 8.407 7.316 1.091 1
1 84 . 8 1 1 A 14 14 VAL CA C 14 61.341 62.906 -1.565 1
1 85 . 8 1 1 A 14 14 VAL HA H 14 4.583 4.363 0.220 1
1 86 . 8 1 1 A 14 14 VAL CB C 14 34.420 32.289 2.131 1
1 96 . 8 1 1 A 14 14 VAL C C 14 175.329 176.080 -0.751 1
1 97 . 8 1 1 A 15 15 CYS N N 15 128.696 127.712 0.984 1
1 98 . 8 1 1 A 15 15 CYS H H 15 9.225 9.109 0.116 1
1 99 . 8 1 1 A 15 15 CYS CA C 15 59.512 60.074 -0.562 1
1 100 . 8 1 1 A 15 15 CYS HA H 15 4.512 4.575 -0.063 1
1 101 . 8 1 1 A 15 15 CYS CB C 15 29.777 28.972 0.805 1
1 103 . 8 1 1 A 15 15 CYS C C 15 176.992 176.100 0.892 1
1 105 . 8 1 1 A 16 16 ASN N N 16 130.445 126.184 4.261 1
1 106 . 8 1 1 A 16 16 ASN H H 16 9.373 9.034 0.339 1
1 107 . 8 1 1 A 16 16 ASN CA C 16 55.598 53.884 1.714 1
1 108 . 8 1 1 A 16 16 ASN HA H 16 4.521 4.883 -0.362 1
1 109 . 8 1 1 A 16 16 ASN CB C 16 38.593 38.566 0.027 1
1 114 . 8 1 1 A 16 16 ASN C C 16 175.261 175.663 -0.402 1
1 116 . 8 1 1 A 17 17 GLU N N 17 120.657 117.484 3.173 1
1 117 . 8 1 1 A 17 17 GLU H H 17 8.766 8.037 0.729 1
1 118 . 8 1 1 A 17 17 GLU CA C 17 58.253 57.098 1.155 1
1 119 . 8 1 1 A 17 17 GLU HA H 17 4.225 4.545 -0.320 1
1 120 . 8 1 1 A 17 17 GLU CB C 17 29.552 31.768 -2.216 1
1 124 . 8 1 1 A 17 17 GLU C C 17 177.171 177.999 -0.828 1
1 127 . 8 1 1 A 18 18 CYS N N 18 114.840 115.173 -0.333 1
1 128 . 8 1 1 A 18 18 CYS H H 18 8.023 8.202 -0.179 1
1 129 . 8 1 1 A 18 18 CYS CA C 18 58.322 59.229 -0.907 1
1 130 . 8 1 1 A 18 18 CYS HA H 18 5.169 4.722 0.447 1
1 131 . 8 1 1 A 18 18 CYS CB C 18 32.619 30.576 2.043 1
1 133 . 8 1 1 A 18 18 CYS C C 18 176.373 175.818 0.555 1
1 135 . 8 1 1 A 19 19 GLY N N 19 113.504 110.547 2.957 1
1 136 . 8 1 1 A 19 19 GLY H H 19 8.164 8.150 0.014 1
1 137 . 8 1 1 A 19 19 GLY CA C 19 46.263 45.235 1.028 1
1 138 . 8 1 1 A 19 19 GLY HA3 H 19 4.177 4.024 0.153 1
1 139 . 8 1 1 A 19 19 GLY C C 19 173.670 174.252 -0.582 1
1 140 . 8 1 1 A 19 19 GLY HA2 H 19 3.743 4.014 -0.271 1
1 141 . 8 1 1 A 20 20 LYS N N 20 122.939 122.439 0.500 1
1 142 . 8 1 1 A 20 20 LYS H H 20 7.950 7.578 0.372 1
1 143 . 8 1 1 A 20 20 LYS CA C 20 58.169 55.867 2.302 1
1 144 . 8 1 1 A 20 20 LYS HA H 20 3.947 4.100 -0.153 1
1 145 . 8 1 1 A 20 20 LYS CB C 20 33.712 32.355 1.357 1
1 153 . 8 1 1 A 20 20 LYS C C 20 173.404 175.439 -2.035 1
1 158 . 8 1 1 A 21 21 ALA N N 21 123.614 129.739 -6.125 1
1 159 . 8 1 1 A 21 21 ALA H H 21 7.752 8.269 -0.517 1
1 160 . 8 1 1 A 21 21 ALA CA C 21 50.174 50.831 -0.657 1
1 161 . 8 1 1 A 21 21 ALA HA H 21 5.114 5.013 0.101 1
1 162 . 8 1 1 A 21 21 ALA CB C 21 22.563 20.737 1.826 1
1 166 . 8 1 1 A 21 21 ALA C C 21 176.523 176.466 0.057 1
1 167 . 8 1 1 A 22 22 PHE N N 22 116.849 117.795 -0.946 1
1 168 . 8 1 1 A 22 22 PHE H H 22 8.926 8.797 0.129 1
1 169 . 8 1 1 A 22 22 PHE CA C 22 57.347 56.900 0.447 1
1 170 . 8 1 1 A 22 22 PHE HA H 22 4.736 4.667 0.069 1
1 171 . 8 1 1 A 22 22 PHE CB C 22 44.094 43.324 0.770 1
1 183 . 8 1 1 A 22 22 PHE C C 22 176.070 175.583 0.487 1
1 185 . 8 1 1 A 23 23 ARG N N 23 118.853 120.359 -1.506 1
1 186 . 8 1 1 A 23 23 ARG H H 23 9.278 8.864 0.414 1
1 187 . 8 1 1 A 23 23 ARG CA C 23 57.758 56.867 0.891 1
1 188 . 8 1 1 A 23 23 ARG HA H 23 4.507 4.313 0.194 1
1 189 . 8 1 1 A 23 23 ARG CB C 23 31.163 31.682 -0.519 1
1 195 . 8 1 1 A 23 23 ARG C C 23 175.555 175.852 -0.297 1
1 199 . 8 1 1 A 24 24 SER N N 24 109.867 111.302 -1.435 1
1 200 . 8 1 1 A 24 24 SER H H 24 7.445 7.617 -0.172 1
1 201 . 8 1 1 A 24 24 SER CA C 24 55.916 55.516 0.400 1
1 202 . 8 1 1 A 24 24 SER HA H 24 4.716 3.850 0.866 1
1 203 . 8 1 1 A 24 24 SER CB C 24 66.155 66.928 -0.773 1
1 205 . 8 1 1 A 24 24 SER C C 24 173.335 174.884 -1.549 1
1 207 . 8 1 1 A 25 25 LYS N N 25 125.390 122.880 2.510 1
1 208 . 8 1 1 A 25 25 LYS H H 25 8.308 8.760 -0.452 1
1 209 . 8 1 1 A 25 25 LYS CA C 25 59.004 60.288 -1.284 1
1 210 . 8 1 1 A 25 25 LYS HA H 25 3.212 4.143 -0.931 1
1 211 . 8 1 1 A 25 25 LYS CB C 25 31.811 32.301 -0.490 1
1 219 . 8 1 1 A 25 25 LYS C C 25 178.128 177.807 0.321 1
1 224 . 8 1 1 A 26 26 SER N N 26 113.087 114.388 -1.301 1
1 225 . 8 1 1 A 26 26 SER H H 26 8.198 7.955 0.243 1
1 226 . 8 1 1 A 26 26 SER CA C 26 61.434 60.941 0.493 1
1 227 . 8 1 1 A 26 26 SER HA H 26 3.944 4.157 -0.213 1
1 228 . 8 1 1 A 26 26 SER CB C 26 61.936 63.102 -1.166 1
1 230 . 8 1 1 A 26 26 SER C C 26 176.875 176.427 0.448 1
1 232 . 8 1 1 A 27 27 TYR N N 27 119.500 122.913 -3.413 1
1 233 . 8 1 1 A 27 27 TYR H H 27 7.262 7.061 0.201 1
1 234 . 8 1 1 A 27 27 TYR CA C 27 59.906 60.756 -0.850 1
1 235 . 8 1 1 A 27 27 TYR HA H 27 4.245 4.109 0.136 1
1 236 . 8 1 1 A 27 27 TYR CB C 27 37.518 38.575 -1.057 1
1 246 . 8 1 1 A 27 27 TYR C C 27 178.410 177.039 1.371 1
1 248 . 8 1 1 A 28 28 LEU N N 28 122.215 120.128 2.087 1
1 249 . 8 1 1 A 28 28 LEU H H 28 7.340 7.760 -0.420 1
1 250 . 8 1 1 A 28 28 LEU CA C 28 58.160 57.082 1.078 1
1 251 . 8 1 1 A 28 28 LEU HA H 28 3.372 3.326 0.046 1
1 252 . 8 1 1 A 28 28 LEU CB C 28 40.641 41.456 -0.815 1
1 264 . 8 1 1 A 28 28 LEU C C 28 178.010 178.827 -0.817 1
1 266 . 8 1 1 A 29 29 ILE N N 29 121.146 118.173 2.973 1
1 267 . 8 1 1 A 29 29 ILE H H 29 8.364 7.934 0.430 1
1 268 . 8 1 1 A 29 29 ILE CA C 29 65.133 64.663 0.470 1
1 269 . 8 1 1 A 29 29 ILE HA H 29 3.650 3.731 -0.081 1
1 270 . 8 1 1 A 29 29 ILE CB C 29 37.476 37.964 -0.488 1
1 282 . 8 1 1 A 29 29 ILE C C 29 179.053 178.481 0.572 1
1 284 . 8 1 1 A 30 30 ILE N N 30 119.869 117.218 2.651 1
1 285 . 8 1 1 A 30 30 ILE H H 30 7.447 7.594 -0.147 1
1 286 . 8 1 1 A 30 30 ILE CA C 30 65.067 63.361 1.706 1
1 287 . 8 1 1 A 30 30 ILE HA H 30 3.513 3.899 -0.386 1
1 288 . 8 1 1 A 30 30 ILE CB C 30 38.321 37.425 0.896 1
1 300 . 8 1 1 A 30 30 ILE C C 30 178.755 177.493 1.262 1
1 302 . 8 1 1 A 31 31 HIS N N 31 119.137 121.894 -2.757 1
1 303 . 8 1 1 A 31 31 HIS H H 31 7.717 7.991 -0.274 1
1 304 . 8 1 1 A 31 31 HIS CA C 31 59.468 58.968 0.500 1
1 305 . 8 1 1 A 31 31 HIS HA H 31 4.231 4.232 -0.001 1
1 306 . 8 1 1 A 31 31 HIS CB C 31 28.172 30.120 -1.948 1
1 312 . 8 1 1 A 31 31 HIS C C 31 178.382 177.209 1.173 1
1 314 . 8 1 1 A 32 32 THR N N 32 116.707 114.010 2.697 1
1 315 . 8 1 1 A 32 32 THR H H 32 9.007 8.666 0.341 1
1 316 . 8 1 1 A 32 32 THR CA C 32 66.925 65.155 1.770 1
1 317 . 8 1 1 A 32 32 THR HA H 32 3.710 3.980 -0.270 1
1 318 . 8 1 1 A 32 32 THR CB C 32 69.079 68.921 0.158 1
1 324 . 8 1 1 A 32 32 THR C C 32 176.003 176.748 -0.745 1
1 325 . 8 1 1 A 33 33 ARG N N 33 119.936 120.122 -0.186 1
1 326 . 8 1 1 A 33 33 ARG H H 33 7.256 8.196 -0.940 1
1 327 . 8 1 1 A 33 33 ARG CA C 33 58.571 58.900 -0.329 1
1 328 . 8 1 1 A 33 33 ARG HA H 33 4.219 4.113 0.106 1
1 329 . 8 1 1 A 33 33 ARG CB C 33 29.786 30.081 -0.295 1
1 335 . 8 1 1 A 33 33 ARG C C 33 178.241 178.718 -0.477 1
1 339 . 8 1 1 A 34 34 THR N N 34 109.982 114.714 -4.732 1
1 340 . 8 1 1 A 34 34 THR H H 34 7.821 8.347 -0.526 1
1 341 . 8 1 1 A 34 34 THR CA C 34 64.062 65.093 -1.031 1
1 342 . 8 1 1 A 34 34 THR HA H 34 4.111 4.000 0.111 1
1 343 . 8 1 1 A 34 34 THR CB C 34 69.241 68.679 0.562 1
1 349 . 8 1 1 A 34 34 THR C C 34 175.691 176.360 -0.669 1
1 350 . 8 1 1 A 35 35 HIS N N 35 118.562 118.822 -0.260 1
1 351 . 8 1 1 A 35 35 HIS H H 35 7.303 7.282 0.021 1
1 352 . 8 1 1 A 35 35 HIS CA C 35 55.753 58.553 -2.800 1
1 353 . 8 1 1 A 35 35 HIS HA H 35 4.833 4.440 0.393 1
1 354 . 8 1 1 A 35 35 HIS CB C 35 28.760 29.506 -0.746 1
1 360 . 8 1 1 A 35 35 HIS C C 35 175.857 176.280 -0.423 1
1 362 . 8 1 1 A 36 36 THR N N 36 111.405 107.664 3.741 1
1 363 . 8 1 1 A 36 36 THR H H 36 7.836 7.789 0.047 1
1 364 . 8 1 1 A 36 36 THR CA C 36 62.358 61.153 1.205 1
1 365 . 8 1 1 A 36 36 THR HA H 36 4.359 4.427 -0.068 1
1 366 . 8 1 1 A 36 36 THR CB C 36 69.861 68.627 1.234 1
1 372 . 8 1 1 A 36 36 THR C C 36 175.557 174.557 1.000 1
1 373 . 8 1 1 A 37 37 GLY N N 37 110.788 111.011 -0.223 1
1 374 . 8 1 1 A 37 37 GLY H H 37 8.256 7.516 0.740 1
1 375 . 8 1 1 A 37 37 GLY CA C 37 45.471 45.794 -0.323 1
1 376 . 8 1 1 A 37 37 GLY HA3 H 37 3.933 4.056 -0.123 1
1 377 . 8 1 1 A 37 37 GLY C C 37 174.315 174.031 0.284 1
1 378 . 8 1 1 A 37 37 GLY HA2 H 37 4.037 4.049 -0.012 1
1 379 . 8 1 1 A 38 38 GLU N N 38 120.671 122.017 -1.346 1
1 380 . 8 1 1 A 38 38 GLU H H 38 8.139 8.271 -0.132 1
1 381 . 8 1 1 A 38 38 GLU CA C 38 56.638 56.619 0.019 1
1 382 . 8 1 1 A 38 38 GLU HA H 38 4.271 4.340 -0.069 1
1 383 . 8 1 1 A 38 38 GLU CB C 38 30.487 30.183 0.304 1
1 387 . 8 1 1 A 38 38 GLU C C 38 176.506 175.572 0.934 1
1 390 . 8 1 1 A 39 39 SER N N 39 116.808 121.773 -4.965 1
1 391 . 8 1 1 A 39 39 SER H H 39 8.416 8.660 -0.244 1
1 392 . 8 1 1 A 39 39 SER CA C 39 58.427 56.803 1.624 1
1 393 . 8 1 1 A 39 39 SER HA H 39 4.440 4.775 -0.335 1
1 394 . 8 1 1 A 39 39 SER CB C 39 64.030 63.345 0.685 1
1 396 . 8 1 1 A 39 39 SER C C 39 174.564 174.894 -0.330 1
1 398 . 8 1 1 A 40 40 GLY N N 40 110.559 114.300 -3.741 1
1 399 . 8 1 1 A 40 40 GLY H H 40 8.236 8.736 -0.500 1
1 400 . 8 1 1 A 40 40 GLY CA C 40 44.652 47.647 -2.995 1
1 401 . 8 1 1 A 40 40 GLY HA3 H 40 4.045 3.719 0.326 1
1 402 . 8 1 1 A 40 40 GLY C C 40 171.663 175.303 -3.640 1
1 403 . 8 1 1 A 40 40 GLY HA2 H 40 4.139 3.714 0.425 1
1 404 . 8 1 1 A 41 41 PRO CA C 41 63.186 64.442 -1.256 1
1 405 . 8 1 1 A 41 41 PRO HA H 41 4.459 4.396 0.063 1
1 406 . 8 1 1 A 41 41 PRO CB C 41 32.141 31.725 0.416 1
1 412 . 8 1 1 A 41 41 PRO C C 41 177.354 176.106 1.248 1
1 416 . 8 1 1 A 42 42 SER N N 42 116.533 114.643 1.890 1
1 417 . 8 1 1 A 42 42 SER H H 42 8.540 7.780 0.760 1
1 418 . 8 1 1 A 42 42 SER CA C 42 58.357 55.869 2.488 1
1 419 . 8 1 1 A 42 42 SER HA H 42 4.458 4.874 -0.416 1
1 420 . 8 1 1 A 42 42 SER CB C 42 63.799 65.495 -1.696 1
1 422 . 8 1 1 A 42 42 SER C C 42 174.657 173.853 0.804 1
1 424 . 8 1 1 A 43 43 SER N N 43 117.855 117.624 0.231 1
1 425 . 8 1 1 A 43 43 SER H H 43 8.309 8.714 -0.405 1
1 426 . 8 1 1 A 43 43 SER CA C 43 58.342 58.354 -0.012 1
1 427 . 8 1 1 A 43 43 SER HA H 43 4.451 4.708 -0.257 1
1 428 . 8 1 1 A 43 43 SER CB C 43 64.100 64.575 -0.475 1
1 430 . 8 1 1 A 43 43 SER C C 43 173.896 174.506 -0.610 1
1 1 . 9 1 1 A 7 7 GLY CA C 7 45.465 44.923 0.542 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 4.004 4.204 -0.200 1
1 3 . 9 1 1 A 7 7 GLY C C 7 174.505 172.229 2.276 1
1 4 . 9 1 1 A 7 7 GLY HA2 H 7 4.004 4.203 -0.199 1
1 5 . 9 1 1 A 8 8 THR N N 8 112.992 121.201 -8.209 1
1 6 . 9 1 1 A 8 8 THR H H 8 8.116 8.899 -0.783 1
1 7 . 9 1 1 A 8 8 THR CA C 8 62.003 60.735 1.268 1
1 8 . 9 1 1 A 8 8 THR HA H 8 4.339 4.700 -0.361 1
1 9 . 9 1 1 A 8 8 THR CB C 8 69.816 69.343 0.473 1
1 15 . 9 1 1 A 8 8 THR C C 8 175.226 174.710 0.516 1
1 16 . 9 1 1 A 9 9 GLY N N 9 110.864 116.223 -5.359 1
1 17 . 9 1 1 A 9 9 GLY H H 9 8.444 8.747 -0.303 1
1 18 . 9 1 1 A 9 9 GLY CA C 9 45.365 44.750 0.615 1
1 19 . 9 1 1 A 9 9 GLY HA3 H 9 3.928 4.070 -0.142 1
1 20 . 9 1 1 A 9 9 GLY C C 9 174.085 174.850 -0.765 1
1 21 . 9 1 1 A 9 9 GLY HA2 H 9 3.928 4.061 -0.133 1
1 22 . 9 1 1 A 10 10 MET N N 10 119.413 119.544 -0.131 1
1 23 . 9 1 1 A 10 10 MET H H 10 8.136 8.486 -0.350 1
1 24 . 9 1 1 A 10 10 MET CA C 10 55.711 56.612 -0.901 1
1 25 . 9 1 1 A 10 10 MET HA H 10 4.375 4.647 -0.272 1
1 26 . 9 1 1 A 10 10 MET CB C 10 32.785 35.200 -2.415 1
1 34 . 9 1 1 A 10 10 MET C C 10 176.047 175.972 0.075 1
1 37 . 9 1 1 A 11 11 LYS N N 11 122.314 117.559 4.755 1
1 38 . 9 1 1 A 11 11 LYS H H 11 8.236 7.591 0.645 1
1 39 . 9 1 1 A 11 11 LYS CA C 11 53.843 53.550 0.293 1
1 40 . 9 1 1 A 11 11 LYS HA H 11 4.511 4.486 0.025 1
1 41 . 9 1 1 A 11 11 LYS CB C 11 32.984 32.425 0.559 1
1 49 . 9 1 1 A 11 11 LYS C C 11 173.828 176.333 -2.505 1
1 54 . 9 1 1 A 12 12 PRO CA C 12 63.240 65.645 -2.405 1
1 55 . 9 1 1 A 12 12 PRO HA H 12 4.296 4.118 0.178 1
1 56 . 9 1 1 A 12 12 PRO CB C 12 32.231 31.137 1.094 1
1 62 . 9 1 1 A 12 12 PRO C C 12 176.278 177.077 -0.799 1
1 66 . 9 1 1 A 13 13 TYR N N 13 119.354 117.224 2.130 1
1 67 . 9 1 1 A 13 13 TYR H H 13 7.989 8.192 -0.203 1
1 68 . 9 1 1 A 13 13 TYR CA C 13 57.665 57.341 0.324 1
1 69 . 9 1 1 A 13 13 TYR HA H 13 4.568 4.776 -0.208 1
1 70 . 9 1 1 A 13 13 TYR CB C 13 38.332 38.450 -0.118 1
1 80 . 9 1 1 A 13 13 TYR C C 13 174.439 176.023 -1.584 1
1 82 . 9 1 1 A 14 14 VAL N N 14 124.765 121.289 3.476 1
1 83 . 9 1 1 A 14 14 VAL H H 14 8.407 7.394 1.013 1
1 84 . 9 1 1 A 14 14 VAL CA C 14 61.341 62.802 -1.461 1
1 85 . 9 1 1 A 14 14 VAL HA H 14 4.583 4.394 0.189 1
1 86 . 9 1 1 A 14 14 VAL CB C 14 34.420 32.254 2.166 1
1 96 . 9 1 1 A 14 14 VAL C C 14 175.329 175.593 -0.264 1
1 97 . 9 1 1 A 15 15 CYS N N 15 128.696 126.322 2.374 1
1 98 . 9 1 1 A 15 15 CYS H H 15 9.225 9.165 0.060 1
1 99 . 9 1 1 A 15 15 CYS CA C 15 59.512 59.406 0.106 1
1 100 . 9 1 1 A 15 15 CYS HA H 15 4.512 4.578 -0.066 1
1 101 . 9 1 1 A 15 15 CYS CB C 15 29.777 28.337 1.440 1
1 103 . 9 1 1 A 15 15 CYS C C 15 176.992 176.134 0.858 1
1 105 . 9 1 1 A 16 16 ASN N N 16 130.445 126.361 4.084 1
1 106 . 9 1 1 A 16 16 ASN H H 16 9.373 8.968 0.405 1
1 107 . 9 1 1 A 16 16 ASN CA C 16 55.598 55.051 0.547 1
1 108 . 9 1 1 A 16 16 ASN HA H 16 4.521 4.677 -0.156 1
1 109 . 9 1 1 A 16 16 ASN CB C 16 38.593 38.070 0.523 1
1 114 . 9 1 1 A 16 16 ASN C C 16 175.261 175.885 -0.624 1
1 116 . 9 1 1 A 17 17 GLU N N 17 120.657 117.403 3.254 1
1 117 . 9 1 1 A 17 17 GLU H H 17 8.766 7.921 0.845 1
1 118 . 9 1 1 A 17 17 GLU CA C 17 58.253 58.204 0.049 1
1 119 . 9 1 1 A 17 17 GLU HA H 17 4.225 4.365 -0.140 1
1 120 . 9 1 1 A 17 17 GLU CB C 17 29.552 30.613 -1.061 1
1 124 . 9 1 1 A 17 17 GLU C C 17 177.171 178.218 -1.047 1
1 127 . 9 1 1 A 18 18 CYS N N 18 114.840 114.952 -0.112 1
1 128 . 9 1 1 A 18 18 CYS H H 18 8.023 8.170 -0.147 1
1 129 . 9 1 1 A 18 18 CYS CA C 18 58.322 59.413 -1.091 1
1 130 . 9 1 1 A 18 18 CYS HA H 18 5.169 4.725 0.444 1
1 131 . 9 1 1 A 18 18 CYS CB C 18 32.619 30.168 2.451 1
1 133 . 9 1 1 A 18 18 CYS C C 18 176.373 175.621 0.752 1
1 135 . 9 1 1 A 19 19 GLY N N 19 113.504 110.221 3.283 1
1 136 . 9 1 1 A 19 19 GLY H H 19 8.164 8.258 -0.094 1
1 137 . 9 1 1 A 19 19 GLY CA C 19 46.263 45.118 1.145 1
1 138 . 9 1 1 A 19 19 GLY HA3 H 19 4.177 4.023 0.154 1
1 139 . 9 1 1 A 19 19 GLY C C 19 173.670 174.404 -0.734 1
1 140 . 9 1 1 A 19 19 GLY HA2 H 19 3.743 4.018 -0.275 1
1 141 . 9 1 1 A 20 20 LYS N N 20 122.939 122.659 0.280 1
1 142 . 9 1 1 A 20 20 LYS H H 20 7.950 7.524 0.426 1
1 143 . 9 1 1 A 20 20 LYS CA C 20 58.169 56.256 1.913 1
1 144 . 9 1 1 A 20 20 LYS HA H 20 3.947 4.058 -0.111 1
1 145 . 9 1 1 A 20 20 LYS CB C 20 33.712 32.696 1.016 1
1 153 . 9 1 1 A 20 20 LYS C C 20 173.404 175.902 -2.498 1
1 158 . 9 1 1 A 21 21 ALA N N 21 123.614 129.593 -5.979 1
1 159 . 9 1 1 A 21 21 ALA H H 21 7.752 8.275 -0.523 1
1 160 . 9 1 1 A 21 21 ALA CA C 21 50.174 51.136 -0.962 1
1 161 . 9 1 1 A 21 21 ALA HA H 21 5.114 5.037 0.077 1
1 162 . 9 1 1 A 21 21 ALA CB C 21 22.563 20.576 1.987 1
1 166 . 9 1 1 A 21 21 ALA C C 21 176.523 176.514 0.009 1
1 167 . 9 1 1 A 22 22 PHE N N 22 116.849 117.628 -0.779 1
1 168 . 9 1 1 A 22 22 PHE H H 22 8.926 8.847 0.079 1
1 169 . 9 1 1 A 22 22 PHE CA C 22 57.347 56.924 0.423 1
1 170 . 9 1 1 A 22 22 PHE HA H 22 4.736 4.749 -0.013 1
1 171 . 9 1 1 A 22 22 PHE CB C 22 44.094 43.441 0.653 1
1 183 . 9 1 1 A 22 22 PHE C C 22 176.070 175.769 0.301 1
1 185 . 9 1 1 A 23 23 ARG N N 23 118.853 121.926 -3.073 1
1 186 . 9 1 1 A 23 23 ARG H H 23 9.278 8.876 0.402 1
1 187 . 9 1 1 A 23 23 ARG CA C 23 57.758 56.981 0.777 1
1 188 . 9 1 1 A 23 23 ARG HA H 23 4.507 4.197 0.310 1
1 189 . 9 1 1 A 23 23 ARG CB C 23 31.163 31.470 -0.307 1
1 195 . 9 1 1 A 23 23 ARG C C 23 175.555 175.820 -0.265 1
1 199 . 9 1 1 A 24 24 SER N N 24 109.867 108.691 1.176 1
1 200 . 9 1 1 A 24 24 SER H H 24 7.445 7.656 -0.211 1
1 201 . 9 1 1 A 24 24 SER CA C 24 55.916 55.517 0.399 1
1 202 . 9 1 1 A 24 24 SER HA H 24 4.716 4.002 0.714 1
1 203 . 9 1 1 A 24 24 SER CB C 24 66.155 66.891 -0.736 1
1 205 . 9 1 1 A 24 24 SER C C 24 173.335 174.371 -1.036 1
1 207 . 9 1 1 A 25 25 LYS N N 25 125.390 121.384 4.006 1
1 208 . 9 1 1 A 25 25 LYS H H 25 8.308 9.147 -0.839 1
1 209 . 9 1 1 A 25 25 LYS CA C 25 59.004 59.721 -0.717 1
1 210 . 9 1 1 A 25 25 LYS HA H 25 3.212 4.217 -1.005 1
1 211 . 9 1 1 A 25 25 LYS CB C 25 31.811 32.302 -0.491 1
1 219 . 9 1 1 A 25 25 LYS C C 25 178.128 179.037 -0.909 1
1 224 . 9 1 1 A 26 26 SER N N 26 113.087 115.013 -1.926 1
1 225 . 9 1 1 A 26 26 SER H H 26 8.198 7.982 0.216 1
1 226 . 9 1 1 A 26 26 SER CA C 26 61.434 60.742 0.692 1
1 227 . 9 1 1 A 26 26 SER HA H 26 3.944 4.225 -0.281 1
1 228 . 9 1 1 A 26 26 SER CB C 26 61.936 63.110 -1.174 1
1 230 . 9 1 1 A 26 26 SER C C 26 176.875 176.407 0.468 1
1 232 . 9 1 1 A 27 27 TYR N N 27 119.500 123.199 -3.699 1
1 233 . 9 1 1 A 27 27 TYR H H 27 7.262 7.080 0.182 1
1 234 . 9 1 1 A 27 27 TYR CA C 27 59.906 61.008 -1.102 1
1 235 . 9 1 1 A 27 27 TYR HA H 27 4.245 4.221 0.024 1
1 236 . 9 1 1 A 27 27 TYR CB C 27 37.518 38.764 -1.246 1
1 246 . 9 1 1 A 27 27 TYR C C 27 178.410 177.296 1.114 1
1 248 . 9 1 1 A 28 28 LEU N N 28 122.215 120.215 2.000 1
1 249 . 9 1 1 A 28 28 LEU H H 28 7.340 7.485 -0.145 1
1 250 . 9 1 1 A 28 28 LEU CA C 28 58.160 57.125 1.035 1
1 251 . 9 1 1 A 28 28 LEU HA H 28 3.372 2.810 0.562 1
1 252 . 9 1 1 A 28 28 LEU CB C 28 40.641 41.542 -0.901 1
1 264 . 9 1 1 A 28 28 LEU C C 28 178.010 178.399 -0.389 1
1 266 . 9 1 1 A 29 29 ILE N N 29 121.146 118.952 2.194 1
1 267 . 9 1 1 A 29 29 ILE H H 29 8.364 8.379 -0.015 1
1 268 . 9 1 1 A 29 29 ILE CA C 29 65.133 65.234 -0.101 1
1 269 . 9 1 1 A 29 29 ILE HA H 29 3.650 3.532 0.118 1
1 270 . 9 1 1 A 29 29 ILE CB C 29 37.476 37.970 -0.494 1
1 282 . 9 1 1 A 29 29 ILE C C 29 179.053 178.231 0.822 1
1 284 . 9 1 1 A 30 30 ILE N N 30 119.869 117.248 2.621 1
1 285 . 9 1 1 A 30 30 ILE H H 30 7.447 7.402 0.045 1
1 286 . 9 1 1 A 30 30 ILE CA C 30 65.067 63.375 1.692 1
1 287 . 9 1 1 A 30 30 ILE HA H 30 3.513 3.962 -0.449 1
1 288 . 9 1 1 A 30 30 ILE CB C 30 38.321 37.427 0.894 1
1 300 . 9 1 1 A 30 30 ILE C C 30 178.755 177.619 1.136 1
1 302 . 9 1 1 A 31 31 HIS N N 31 119.137 121.893 -2.756 1
1 303 . 9 1 1 A 31 31 HIS H H 31 7.717 7.854 -0.137 1
1 304 . 9 1 1 A 31 31 HIS CA C 31 59.468 59.033 0.435 1
1 305 . 9 1 1 A 31 31 HIS HA H 31 4.231 4.344 -0.113 1
1 306 . 9 1 1 A 31 31 HIS CB C 31 28.172 30.211 -2.039 1
1 312 . 9 1 1 A 31 31 HIS C C 31 178.382 177.320 1.062 1
1 314 . 9 1 1 A 32 32 THR N N 32 116.707 114.845 1.862 1
1 315 . 9 1 1 A 32 32 THR H H 32 9.007 8.784 0.223 1
1 316 . 9 1 1 A 32 32 THR CA C 32 66.925 67.089 -0.164 1
1 317 . 9 1 1 A 32 32 THR HA H 32 3.710 4.217 -0.507 1
1 318 . 9 1 1 A 32 32 THR CB C 32 69.079 69.003 0.076 1
1 324 . 9 1 1 A 32 32 THR C C 32 176.003 177.047 -1.044 1
1 325 . 9 1 1 A 33 33 ARG N N 33 119.936 120.691 -0.755 1
1 326 . 9 1 1 A 33 33 ARG H H 33 7.256 8.226 -0.970 1
1 327 . 9 1 1 A 33 33 ARG CA C 33 58.571 58.800 -0.229 1
1 328 . 9 1 1 A 33 33 ARG HA H 33 4.219 4.116 0.103 1
1 329 . 9 1 1 A 33 33 ARG CB C 33 29.786 30.055 -0.269 1
1 335 . 9 1 1 A 33 33 ARG C C 33 178.241 178.266 -0.025 1
1 339 . 9 1 1 A 34 34 THR N N 34 109.982 114.582 -4.600 1
1 340 . 9 1 1 A 34 34 THR H H 34 7.821 8.475 -0.654 1
1 341 . 9 1 1 A 34 34 THR CA C 34 64.062 64.344 -0.282 1
1 342 . 9 1 1 A 34 34 THR HA H 34 4.111 3.881 0.230 1
1 343 . 9 1 1 A 34 34 THR CB C 34 69.241 68.654 0.587 1
1 349 . 9 1 1 A 34 34 THR C C 34 175.691 175.969 -0.278 1
1 350 . 9 1 1 A 35 35 HIS N N 35 118.562 117.137 1.425 1
1 351 . 9 1 1 A 35 35 HIS H H 35 7.303 7.758 -0.455 1
1 352 . 9 1 1 A 35 35 HIS CA C 35 55.753 57.013 -1.260 1
1 353 . 9 1 1 A 35 35 HIS HA H 35 4.833 4.609 0.224 1
1 354 . 9 1 1 A 35 35 HIS CB C 35 28.760 28.972 -0.212 1
1 360 . 9 1 1 A 35 35 HIS C C 35 175.857 176.488 -0.631 1
1 362 . 9 1 1 A 36 36 THR N N 36 111.405 113.389 -1.984 1
1 363 . 9 1 1 A 36 36 THR H H 36 7.836 8.363 -0.527 1
1 364 . 9 1 1 A 36 36 THR CA C 36 62.358 64.967 -2.609 1
1 365 . 9 1 1 A 36 36 THR HA H 36 4.359 4.152 0.207 1
1 366 . 9 1 1 A 36 36 THR CB C 36 69.861 69.847 0.014 1
1 372 . 9 1 1 A 36 36 THR C C 36 175.557 175.055 0.502 1
1 373 . 9 1 1 A 37 37 GLY N N 37 110.788 108.053 2.735 1
1 374 . 9 1 1 A 37 37 GLY H H 37 8.256 7.869 0.387 1
1 375 . 9 1 1 A 37 37 GLY CA C 37 45.471 46.227 -0.756 1
1 376 . 9 1 1 A 37 37 GLY HA3 H 37 3.933 4.041 -0.108 1
1 377 . 9 1 1 A 37 37 GLY C C 37 174.315 172.377 1.938 1
1 378 . 9 1 1 A 37 37 GLY HA2 H 37 4.037 4.034 0.003 1
1 379 . 9 1 1 A 38 38 GLU N N 38 120.671 125.565 -4.894 1
1 380 . 9 1 1 A 38 38 GLU H H 38 8.139 8.360 -0.221 1
1 381 . 9 1 1 A 38 38 GLU CA C 38 56.638 55.145 1.493 1
1 382 . 9 1 1 A 38 38 GLU HA H 38 4.271 4.606 -0.335 1
1 383 . 9 1 1 A 38 38 GLU CB C 38 30.487 31.382 -0.895 1
1 387 . 9 1 1 A 38 38 GLU C C 38 176.506 176.504 0.002 1
1 390 . 9 1 1 A 39 39 SER N N 39 116.808 122.012 -5.204 1
1 391 . 9 1 1 A 39 39 SER H H 39 8.416 8.913 -0.497 1
1 392 . 9 1 1 A 39 39 SER CA C 39 58.427 61.949 -3.522 1
1 393 . 9 1 1 A 39 39 SER HA H 39 4.440 4.059 0.381 1
1 394 . 9 1 1 A 39 39 SER CB C 39 64.030 63.171 0.859 1
1 396 . 9 1 1 A 39 39 SER C C 39 174.564 174.757 -0.193 1
1 398 . 9 1 1 A 40 40 GLY N N 40 110.559 109.636 0.923 1
1 399 . 9 1 1 A 40 40 GLY H H 40 8.236 7.928 0.308 1
1 400 . 9 1 1 A 40 40 GLY CA C 40 44.652 44.092 0.560 1
1 401 . 9 1 1 A 40 40 GLY HA3 H 40 4.045 4.051 -0.006 1
1 402 . 9 1 1 A 40 40 GLY C C 40 171.663 173.030 -1.367 1
1 403 . 9 1 1 A 40 40 GLY HA2 H 40 4.139 4.051 0.088 1
1 404 . 9 1 1 A 41 41 PRO CA C 41 63.186 62.651 0.535 1
1 405 . 9 1 1 A 41 41 PRO HA H 41 4.459 4.541 -0.082 1
1 406 . 9 1 1 A 41 41 PRO CB C 41 32.141 32.283 -0.142 1
1 412 . 9 1 1 A 41 41 PRO C C 41 177.354 176.757 0.597 1
1 416 . 9 1 1 A 42 42 SER N N 42 116.533 115.662 0.871 1
1 417 . 9 1 1 A 42 42 SER H H 42 8.540 8.541 -0.001 1
1 418 . 9 1 1 A 42 42 SER CA C 42 58.357 58.585 -0.228 1
1 419 . 9 1 1 A 42 42 SER HA H 42 4.458 4.430 0.028 1
1 420 . 9 1 1 A 42 42 SER CB C 42 63.799 63.163 0.636 1
1 422 . 9 1 1 A 42 42 SER C C 42 174.657 174.535 0.122 1
1 424 . 9 1 1 A 43 43 SER N N 43 117.855 119.556 -1.701 1
1 425 . 9 1 1 A 43 43 SER H H 43 8.309 8.689 -0.380 1
1 426 . 9 1 1 A 43 43 SER CA C 43 58.342 56.867 1.475 1
1 427 . 9 1 1 A 43 43 SER HA H 43 4.451 4.944 -0.493 1
1 428 . 9 1 1 A 43 43 SER CB C 43 64.100 65.192 -1.092 1
1 430 . 9 1 1 A 43 43 SER C C 43 173.896 174.650 -0.754 1
1 1 . 10 1 1 A 7 7 GLY CA C 7 45.465 45.226 0.239 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 4.004 4.119 -0.115 1
1 3 . 10 1 1 A 7 7 GLY C C 7 174.505 173.158 1.347 1
1 4 . 10 1 1 A 7 7 GLY HA2 H 7 4.004 4.119 -0.115 1
1 5 . 10 1 1 A 8 8 THR N N 8 112.992 113.749 -0.757 1
1 6 . 10 1 1 A 8 8 THR H H 8 8.116 7.828 0.288 1
1 7 . 10 1 1 A 8 8 THR CA C 8 62.003 60.208 1.795 1
1 8 . 10 1 1 A 8 8 THR HA H 8 4.339 4.869 -0.530 1
1 9 . 10 1 1 A 8 8 THR CB C 8 69.816 71.203 -1.387 1
1 15 . 10 1 1 A 8 8 THR C C 8 175.226 172.948 2.278 1
1 16 . 10 1 1 A 9 9 GLY N N 9 110.864 113.199 -2.335 1
1 17 . 10 1 1 A 9 9 GLY H H 9 8.444 8.632 -0.188 1
1 18 . 10 1 1 A 9 9 GLY CA C 9 45.365 45.535 -0.170 1
1 19 . 10 1 1 A 9 9 GLY HA3 H 9 3.928 4.229 -0.301 1
1 20 . 10 1 1 A 9 9 GLY C C 9 174.085 173.806 0.279 1
1 21 . 10 1 1 A 9 9 GLY HA2 H 9 3.928 4.228 -0.300 1
1 22 . 10 1 1 A 10 10 MET N N 10 119.413 119.878 -0.465 1
1 23 . 10 1 1 A 10 10 MET H H 10 8.136 8.318 -0.182 1
1 24 . 10 1 1 A 10 10 MET CA C 10 55.711 54.523 1.188 1
1 25 . 10 1 1 A 10 10 MET HA H 10 4.375 5.058 -0.683 1
1 26 . 10 1 1 A 10 10 MET CB C 10 32.785 35.873 -3.088 1
1 34 . 10 1 1 A 10 10 MET C C 10 176.047 174.756 1.291 1
1 37 . 10 1 1 A 11 11 LYS N N 11 122.314 125.544 -3.230 1
1 38 . 10 1 1 A 11 11 LYS H H 11 8.236 8.872 -0.636 1
1 39 . 10 1 1 A 11 11 LYS CA C 11 53.843 53.199 0.644 1
1 40 . 10 1 1 A 11 11 LYS HA H 11 4.511 4.742 -0.231 1
1 41 . 10 1 1 A 11 11 LYS CB C 11 32.984 32.627 0.357 1
1 49 . 10 1 1 A 11 11 LYS C C 11 173.828 176.343 -2.515 1
1 54 . 10 1 1 A 12 12 PRO CA C 12 63.240 65.646 -2.406 1
1 55 . 10 1 1 A 12 12 PRO HA H 12 4.296 4.137 0.159 1
1 56 . 10 1 1 A 12 12 PRO CB C 12 32.231 31.138 1.093 1
1 62 . 10 1 1 A 12 12 PRO C C 12 176.278 177.051 -0.773 1
1 66 . 10 1 1 A 13 13 TYR N N 13 119.354 116.777 2.577 1
1 67 . 10 1 1 A 13 13 TYR H H 13 7.989 8.249 -0.260 1
1 68 . 10 1 1 A 13 13 TYR CA C 13 57.665 57.195 0.470 1
1 69 . 10 1 1 A 13 13 TYR HA H 13 4.568 4.805 -0.237 1
1 70 . 10 1 1 A 13 13 TYR CB C 13 38.332 38.934 -0.602 1
1 80 . 10 1 1 A 13 13 TYR C C 13 174.439 175.987 -1.548 1
1 82 . 10 1 1 A 14 14 VAL N N 14 124.765 121.448 3.317 1
1 83 . 10 1 1 A 14 14 VAL H H 14 8.407 7.385 1.022 1
1 84 . 10 1 1 A 14 14 VAL CA C 14 61.341 62.865 -1.524 1
1 85 . 10 1 1 A 14 14 VAL HA H 14 4.583 4.398 0.185 1
1 86 . 10 1 1 A 14 14 VAL CB C 14 34.420 32.442 1.978 1
1 96 . 10 1 1 A 14 14 VAL C C 14 175.329 176.135 -0.806 1
1 97 . 10 1 1 A 15 15 CYS N N 15 128.696 127.415 1.281 1
1 98 . 10 1 1 A 15 15 CYS H H 15 9.225 9.135 0.090 1
1 99 . 10 1 1 A 15 15 CYS CA C 15 59.512 60.043 -0.531 1
1 100 . 10 1 1 A 15 15 CYS HA H 15 4.512 4.491 0.021 1
1 101 . 10 1 1 A 15 15 CYS CB C 15 29.777 28.890 0.887 1
1 103 . 10 1 1 A 15 15 CYS C C 15 176.992 175.994 0.998 1
1 105 . 10 1 1 A 16 16 ASN N N 16 130.445 126.514 3.931 1
1 106 . 10 1 1 A 16 16 ASN H H 16 9.373 9.013 0.360 1
1 107 . 10 1 1 A 16 16 ASN CA C 16 55.598 53.375 2.223 1
1 108 . 10 1 1 A 16 16 ASN HA H 16 4.521 4.907 -0.386 1
1 109 . 10 1 1 A 16 16 ASN CB C 16 38.593 38.702 -0.109 1
1 114 . 10 1 1 A 16 16 ASN C C 16 175.261 175.722 -0.461 1
1 116 . 10 1 1 A 17 17 GLU N N 17 120.657 117.466 3.191 1
1 117 . 10 1 1 A 17 17 GLU H H 17 8.766 7.935 0.831 1
1 118 . 10 1 1 A 17 17 GLU CA C 17 58.253 57.221 1.032 1
1 119 . 10 1 1 A 17 17 GLU HA H 17 4.225 4.519 -0.294 1
1 120 . 10 1 1 A 17 17 GLU CB C 17 29.552 32.422 -2.870 1
1 124 . 10 1 1 A 17 17 GLU C C 17 177.171 177.862 -0.691 1
1 127 . 10 1 1 A 18 18 CYS N N 18 114.840 114.913 -0.073 1
1 128 . 10 1 1 A 18 18 CYS H H 18 8.023 8.180 -0.157 1
1 129 . 10 1 1 A 18 18 CYS CA C 18 58.322 59.510 -1.188 1
1 130 . 10 1 1 A 18 18 CYS HA H 18 5.169 4.750 0.419 1
1 131 . 10 1 1 A 18 18 CYS CB C 18 32.619 30.287 2.332 1
1 133 . 10 1 1 A 18 18 CYS C C 18 176.373 175.657 0.716 1
1 135 . 10 1 1 A 19 19 GLY N N 19 113.504 110.280 3.224 1
1 136 . 10 1 1 A 19 19 GLY H H 19 8.164 8.191 -0.027 1
1 137 . 10 1 1 A 19 19 GLY CA C 19 46.263 45.016 1.247 1
1 138 . 10 1 1 A 19 19 GLY HA3 H 19 4.177 4.054 0.123 1
1 139 . 10 1 1 A 19 19 GLY C C 19 173.670 174.361 -0.691 1
1 140 . 10 1 1 A 19 19 GLY HA2 H 19 3.743 4.045 -0.302 1
1 141 . 10 1 1 A 20 20 LYS N N 20 122.939 122.525 0.414 1
1 142 . 10 1 1 A 20 20 LYS H H 20 7.950 7.604 0.346 1
1 143 . 10 1 1 A 20 20 LYS CA C 20 58.169 56.060 2.109 1
1 144 . 10 1 1 A 20 20 LYS HA H 20 3.947 4.115 -0.168 1
1 145 . 10 1 1 A 20 20 LYS CB C 20 33.712 32.371 1.341 1
1 153 . 10 1 1 A 20 20 LYS C C 20 173.404 175.499 -2.095 1
1 158 . 10 1 1 A 21 21 ALA N N 21 123.614 129.851 -6.237 1
1 159 . 10 1 1 A 21 21 ALA H H 21 7.752 8.417 -0.665 1
1 160 . 10 1 1 A 21 21 ALA CA C 21 50.174 50.684 -0.510 1
1 161 . 10 1 1 A 21 21 ALA HA H 21 5.114 5.102 0.012 1
1 162 . 10 1 1 A 21 21 ALA CB C 21 22.563 20.534 2.029 1
1 166 . 10 1 1 A 21 21 ALA C C 21 176.523 176.620 -0.097 1
1 167 . 10 1 1 A 22 22 PHE N N 22 116.849 119.567 -2.718 1
1 168 . 10 1 1 A 22 22 PHE H H 22 8.926 9.106 -0.180 1
1 169 . 10 1 1 A 22 22 PHE CA C 22 57.347 57.128 0.219 1
1 170 . 10 1 1 A 22 22 PHE HA H 22 4.736 5.018 -0.282 1
1 171 . 10 1 1 A 22 22 PHE CB C 22 44.094 43.096 0.998 1
1 183 . 10 1 1 A 22 22 PHE C C 22 176.070 176.326 -0.256 1
1 185 . 10 1 1 A 23 23 ARG N N 23 118.853 122.137 -3.284 1
1 186 . 10 1 1 A 23 23 ARG H H 23 9.278 9.090 0.188 1
1 187 . 10 1 1 A 23 23 ARG CA C 23 57.758 57.266 0.492 1
1 188 . 10 1 1 A 23 23 ARG HA H 23 4.507 4.212 0.295 1
1 189 . 10 1 1 A 23 23 ARG CB C 23 31.163 31.488 -0.325 1
1 195 . 10 1 1 A 23 23 ARG C C 23 175.555 175.975 -0.420 1
1 199 . 10 1 1 A 24 24 SER N N 24 109.867 108.680 1.187 1
1 200 . 10 1 1 A 24 24 SER H H 24 7.445 7.609 -0.164 1
1 201 . 10 1 1 A 24 24 SER CA C 24 55.916 55.624 0.292 1
1 202 . 10 1 1 A 24 24 SER HA H 24 4.716 3.944 0.772 1
1 203 . 10 1 1 A 24 24 SER CB C 24 66.155 66.775 -0.620 1
1 205 . 10 1 1 A 24 24 SER C C 24 173.335 174.405 -1.070 1
1 207 . 10 1 1 A 25 25 LYS N N 25 125.390 122.012 3.378 1
1 208 . 10 1 1 A 25 25 LYS H H 25 8.308 9.204 -0.896 1
1 209 . 10 1 1 A 25 25 LYS CA C 25 59.004 60.324 -1.320 1
1 210 . 10 1 1 A 25 25 LYS HA H 25 3.212 4.128 -0.916 1
1 211 . 10 1 1 A 25 25 LYS CB C 25 31.811 32.585 -0.774 1
1 219 . 10 1 1 A 25 25 LYS C C 25 178.128 178.694 -0.566 1
1 224 . 10 1 1 A 26 26 SER N N 26 113.087 116.705 -3.618 1
1 225 . 10 1 1 A 26 26 SER H H 26 8.198 8.211 -0.013 1
1 226 . 10 1 1 A 26 26 SER CA C 26 61.434 62.453 -1.019 1
1 227 . 10 1 1 A 26 26 SER HA H 26 3.944 4.133 -0.189 1
1 228 . 10 1 1 A 26 26 SER CB C 26 61.936 63.218 -1.282 1
1 230 . 10 1 1 A 26 26 SER C C 26 176.875 176.086 0.789 1
1 232 . 10 1 1 A 27 27 TYR N N 27 119.500 123.476 -3.976 1
1 233 . 10 1 1 A 27 27 TYR H H 27 7.262 7.196 0.066 1
1 234 . 10 1 1 A 27 27 TYR CA C 27 59.906 60.334 -0.428 1
1 235 . 10 1 1 A 27 27 TYR HA H 27 4.245 4.191 0.054 1
1 236 . 10 1 1 A 27 27 TYR CB C 27 37.518 38.731 -1.213 1
1 246 . 10 1 1 A 27 27 TYR C C 27 178.410 177.484 0.926 1
1 248 . 10 1 1 A 28 28 LEU N N 28 122.215 119.710 2.505 1
1 249 . 10 1 1 A 28 28 LEU H H 28 7.340 7.961 -0.621 1
1 250 . 10 1 1 A 28 28 LEU CA C 28 58.160 56.453 1.707 1
1 251 . 10 1 1 A 28 28 LEU HA H 28 3.372 2.329 1.043 1
1 252 . 10 1 1 A 28 28 LEU CB C 28 40.641 42.069 -1.428 1
1 264 . 10 1 1 A 28 28 LEU C C 28 178.010 178.307 -0.297 1
1 266 . 10 1 1 A 29 29 ILE N N 29 121.146 119.082 2.064 1
1 267 . 10 1 1 A 29 29 ILE H H 29 8.364 8.178 0.186 1
1 268 . 10 1 1 A 29 29 ILE CA C 29 65.133 65.132 0.001 1
1 269 . 10 1 1 A 29 29 ILE HA H 29 3.650 3.509 0.141 1
1 270 . 10 1 1 A 29 29 ILE CB C 29 37.476 37.505 -0.029 1
1 282 . 10 1 1 A 29 29 ILE C C 29 179.053 178.479 0.574 1
1 284 . 10 1 1 A 30 30 ILE N N 30 119.869 117.367 2.502 1
1 285 . 10 1 1 A 30 30 ILE H H 30 7.447 7.371 0.076 1
1 286 . 10 1 1 A 30 30 ILE CA C 30 65.067 63.511 1.556 1
1 287 . 10 1 1 A 30 30 ILE HA H 30 3.513 3.896 -0.383 1
1 288 . 10 1 1 A 30 30 ILE CB C 30 38.321 37.383 0.938 1
1 300 . 10 1 1 A 30 30 ILE C C 30 178.755 177.519 1.236 1
1 302 . 10 1 1 A 31 31 HIS N N 31 119.137 122.032 -2.895 1
1 303 . 10 1 1 A 31 31 HIS H H 31 7.717 7.693 0.024 1
1 304 . 10 1 1 A 31 31 HIS CA C 31 59.468 58.925 0.543 1
1 305 . 10 1 1 A 31 31 HIS HA H 31 4.231 4.194 0.037 1
1 306 . 10 1 1 A 31 31 HIS CB C 31 28.172 30.096 -1.924 1
1 312 . 10 1 1 A 31 31 HIS C C 31 178.382 177.242 1.140 1
1 314 . 10 1 1 A 32 32 THR N N 32 116.707 114.784 1.923 1
1 315 . 10 1 1 A 32 32 THR H H 32 9.007 8.703 0.304 1
1 316 . 10 1 1 A 32 32 THR CA C 32 66.925 66.787 0.138 1
1 317 . 10 1 1 A 32 32 THR HA H 32 3.710 4.277 -0.567 1
1 318 . 10 1 1 A 32 32 THR CB C 32 69.079 69.009 0.070 1
1 324 . 10 1 1 A 32 32 THR C C 32 176.003 176.954 -0.951 1
1 325 . 10 1 1 A 33 33 ARG N N 33 119.936 120.557 -0.621 1
1 326 . 10 1 1 A 33 33 ARG H H 33 7.256 8.210 -0.954 1
1 327 . 10 1 1 A 33 33 ARG CA C 33 58.571 58.741 -0.170 1
1 328 . 10 1 1 A 33 33 ARG HA H 33 4.219 4.106 0.113 1
1 329 . 10 1 1 A 33 33 ARG CB C 33 29.786 29.861 -0.075 1
1 335 . 10 1 1 A 33 33 ARG C C 33 178.241 178.465 -0.224 1
1 339 . 10 1 1 A 34 34 THR N N 34 109.982 114.987 -5.005 1
1 340 . 10 1 1 A 34 34 THR H H 34 7.821 8.263 -0.442 1
1 341 . 10 1 1 A 34 34 THR CA C 34 64.062 65.129 -1.067 1
1 342 . 10 1 1 A 34 34 THR HA H 34 4.111 3.891 0.220 1
1 343 . 10 1 1 A 34 34 THR CB C 34 69.241 68.833 0.408 1
1 349 . 10 1 1 A 34 34 THR C C 34 175.691 176.246 -0.555 1
1 350 . 10 1 1 A 35 35 HIS N N 35 118.562 118.778 -0.216 1
1 351 . 10 1 1 A 35 35 HIS H H 35 7.303 7.424 -0.121 1
1 352 . 10 1 1 A 35 35 HIS CA C 35 55.753 58.613 -2.860 1
1 353 . 10 1 1 A 35 35 HIS HA H 35 4.833 4.437 0.396 1
1 354 . 10 1 1 A 35 35 HIS CB C 35 28.760 29.658 -0.898 1
1 360 . 10 1 1 A 35 35 HIS C C 35 175.857 176.406 -0.549 1
1 362 . 10 1 1 A 36 36 THR N N 36 111.405 106.184 5.221 1
1 363 . 10 1 1 A 36 36 THR H H 36 7.836 8.004 -0.168 1
1 364 . 10 1 1 A 36 36 THR CA C 36 62.358 60.386 1.972 1
1 365 . 10 1 1 A 36 36 THR HA H 36 4.359 4.587 -0.228 1
1 366 . 10 1 1 A 36 36 THR CB C 36 69.861 68.430 1.431 1
1 372 . 10 1 1 A 36 36 THR C C 36 175.557 175.488 0.069 1
1 373 . 10 1 1 A 37 37 GLY N N 37 110.788 111.212 -0.424 1
1 374 . 10 1 1 A 37 37 GLY H H 37 8.256 8.185 0.071 1
1 375 . 10 1 1 A 37 37 GLY CA C 37 45.471 46.252 -0.781 1
1 376 . 10 1 1 A 37 37 GLY HA3 H 37 3.933 3.968 -0.035 1
1 377 . 10 1 1 A 37 37 GLY C C 37 174.315 174.216 0.099 1
1 378 . 10 1 1 A 37 37 GLY HA2 H 37 4.037 3.955 0.082 1
1 379 . 10 1 1 A 38 38 GLU N N 38 120.671 121.278 -0.607 1
1 380 . 10 1 1 A 38 38 GLU H H 38 8.139 7.765 0.374 1
1 381 . 10 1 1 A 38 38 GLU CA C 38 56.638 57.231 -0.593 1
1 382 . 10 1 1 A 38 38 GLU HA H 38 4.271 4.264 0.007 1
1 383 . 10 1 1 A 38 38 GLU CB C 38 30.487 30.657 -0.170 1
1 387 . 10 1 1 A 38 38 GLU C C 38 176.506 175.652 0.854 1
1 390 . 10 1 1 A 39 39 SER N N 39 116.808 121.920 -5.112 1
1 391 . 10 1 1 A 39 39 SER H H 39 8.416 8.658 -0.242 1
1 392 . 10 1 1 A 39 39 SER CA C 39 58.427 56.916 1.511 1
1 393 . 10 1 1 A 39 39 SER HA H 39 4.440 4.968 -0.528 1
1 394 . 10 1 1 A 39 39 SER CB C 39 64.030 65.230 -1.200 1
1 396 . 10 1 1 A 39 39 SER C C 39 174.564 173.143 1.421 1
1 398 . 10 1 1 A 40 40 GLY N N 40 110.559 113.963 -3.404 1
1 399 . 10 1 1 A 40 40 GLY H H 40 8.236 8.285 -0.049 1
1 400 . 10 1 1 A 40 40 GLY CA C 40 44.652 44.299 0.353 1
1 401 . 10 1 1 A 40 40 GLY HA3 H 40 4.045 4.147 -0.102 1
1 402 . 10 1 1 A 40 40 GLY C C 40 171.663 173.017 -1.354 1
1 403 . 10 1 1 A 40 40 GLY HA2 H 40 4.139 4.147 -0.008 1
1 404 . 10 1 1 A 41 41 PRO CA C 41 63.186 62.776 0.410 1
1 405 . 10 1 1 A 41 41 PRO HA H 41 4.459 4.662 -0.203 1
1 406 . 10 1 1 A 41 41 PRO CB C 41 32.141 32.364 -0.223 1
1 412 . 10 1 1 A 41 41 PRO C C 41 177.354 177.609 -0.255 1
1 416 . 10 1 1 A 42 42 SER N N 42 116.533 116.874 -0.341 1
1 417 . 10 1 1 A 42 42 SER H H 42 8.540 8.660 -0.120 1
1 418 . 10 1 1 A 42 42 SER CA C 42 58.357 61.100 -2.743 1
1 419 . 10 1 1 A 42 42 SER HA H 42 4.458 4.194 0.264 1
1 420 . 10 1 1 A 42 42 SER CB C 42 63.799 63.140 0.659 1
1 422 . 10 1 1 A 42 42 SER C C 42 174.657 175.434 -0.777 1
1 424 . 10 1 1 A 43 43 SER N N 43 117.855 116.599 1.256 1
1 425 . 10 1 1 A 43 43 SER H H 43 8.309 7.850 0.459 1
1 426 . 10 1 1 A 43 43 SER CA C 43 58.342 59.355 -1.013 1
1 427 . 10 1 1 A 43 43 SER HA H 43 4.451 4.461 -0.010 1
1 428 . 10 1 1 A 43 43 SER CB C 43 64.100 63.992 0.108 1
1 430 . 10 1 1 A 43 43 SER C C 43 173.896 175.063 -1.167 1
1 1 . 11 1 1 A 7 7 GLY CA C 7 45.465 43.911 1.554 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 4.004 4.269 -0.265 1
1 3 . 11 1 1 A 7 7 GLY C C 7 174.505 172.350 2.155 1
1 4 . 11 1 1 A 7 7 GLY HA2 H 7 4.004 4.268 -0.264 1
1 5 . 11 1 1 A 8 8 THR N N 8 112.992 113.408 -0.416 1
1 6 . 11 1 1 A 8 8 THR H H 8 8.116 8.608 -0.492 1
1 7 . 11 1 1 A 8 8 THR CA C 8 62.003 60.485 1.518 1
1 8 . 11 1 1 A 8 8 THR HA H 8 4.339 5.037 -0.698 1
1 9 . 11 1 1 A 8 8 THR CB C 8 69.816 70.275 -0.459 1
1 15 . 11 1 1 A 8 8 THR C C 8 175.226 173.610 1.616 1
1 16 . 11 1 1 A 9 9 GLY N N 9 110.864 114.719 -3.855 1
1 17 . 11 1 1 A 9 9 GLY H H 9 8.444 8.543 -0.099 1
1 18 . 11 1 1 A 9 9 GLY CA C 9 45.365 46.404 -1.039 1
1 19 . 11 1 1 A 9 9 GLY HA3 H 9 3.928 4.036 -0.108 1
1 20 . 11 1 1 A 9 9 GLY C C 9 174.085 174.421 -0.336 1
1 21 . 11 1 1 A 9 9 GLY HA2 H 9 3.928 4.034 -0.106 1
1 22 . 11 1 1 A 10 10 MET N N 10 119.413 118.559 0.854 1
1 23 . 11 1 1 A 10 10 MET H H 10 8.136 8.156 -0.020 1
1 24 . 11 1 1 A 10 10 MET CA C 10 55.711 55.315 0.396 1
1 25 . 11 1 1 A 10 10 MET HA H 10 4.375 4.715 -0.340 1
1 26 . 11 1 1 A 10 10 MET CB C 10 32.785 33.209 -0.424 1
1 34 . 11 1 1 A 10 10 MET C C 10 176.047 176.389 -0.342 1
1 37 . 11 1 1 A 11 11 LYS N N 11 122.314 122.646 -0.332 1
1 38 . 11 1 1 A 11 11 LYS H H 11 8.236 8.761 -0.525 1
1 39 . 11 1 1 A 11 11 LYS CA C 11 53.843 54.237 -0.394 1
1 40 . 11 1 1 A 11 11 LYS HA H 11 4.511 4.655 -0.144 1
1 41 . 11 1 1 A 11 11 LYS CB C 11 32.984 31.774 1.210 1
1 49 . 11 1 1 A 11 11 LYS C C 11 173.828 176.762 -2.934 1
1 54 . 11 1 1 A 12 12 PRO CA C 12 63.240 65.658 -2.418 1
1 55 . 11 1 1 A 12 12 PRO HA H 12 4.296 4.161 0.135 1
1 56 . 11 1 1 A 12 12 PRO CB C 12 32.231 31.140 1.091 1
1 62 . 11 1 1 A 12 12 PRO C C 12 176.278 177.067 -0.789 1
1 66 . 11 1 1 A 13 13 TYR N N 13 119.354 117.076 2.278 1
1 67 . 11 1 1 A 13 13 TYR H H 13 7.989 8.254 -0.265 1
1 68 . 11 1 1 A 13 13 TYR CA C 13 57.665 57.114 0.551 1
1 69 . 11 1 1 A 13 13 TYR HA H 13 4.568 4.794 -0.226 1
1 70 . 11 1 1 A 13 13 TYR CB C 13 38.332 38.819 -0.487 1
1 80 . 11 1 1 A 13 13 TYR C C 13 174.439 176.031 -1.592 1
1 82 . 11 1 1 A 14 14 VAL N N 14 124.765 121.273 3.492 1
1 83 . 11 1 1 A 14 14 VAL H H 14 8.407 7.403 1.004 1
1 84 . 11 1 1 A 14 14 VAL CA C 14 61.341 62.865 -1.524 1
1 85 . 11 1 1 A 14 14 VAL HA H 14 4.583 4.407 0.176 1
1 86 . 11 1 1 A 14 14 VAL CB C 14 34.420 32.377 2.043 1
1 96 . 11 1 1 A 14 14 VAL C C 14 175.329 175.629 -0.300 1
1 97 . 11 1 1 A 15 15 CYS N N 15 128.696 126.878 1.818 1
1 98 . 11 1 1 A 15 15 CYS H H 15 9.225 9.173 0.052 1
1 99 . 11 1 1 A 15 15 CYS CA C 15 59.512 59.614 -0.102 1
1 100 . 11 1 1 A 15 15 CYS HA H 15 4.512 4.633 -0.121 1
1 101 . 11 1 1 A 15 15 CYS CB C 15 29.777 28.425 1.352 1
1 103 . 11 1 1 A 15 15 CYS C C 15 176.992 176.125 0.867 1
1 105 . 11 1 1 A 16 16 ASN N N 16 130.445 126.317 4.128 1
1 106 . 11 1 1 A 16 16 ASN H H 16 9.373 8.998 0.375 1
1 107 . 11 1 1 A 16 16 ASN CA C 16 55.598 55.062 0.536 1
1 108 . 11 1 1 A 16 16 ASN HA H 16 4.521 4.688 -0.167 1
1 109 . 11 1 1 A 16 16 ASN CB C 16 38.593 38.159 0.434 1
1 114 . 11 1 1 A 16 16 ASN C C 16 175.261 176.136 -0.875 1
1 116 . 11 1 1 A 17 17 GLU N N 17 120.657 117.667 2.990 1
1 117 . 11 1 1 A 17 17 GLU H H 17 8.766 7.970 0.796 1
1 118 . 11 1 1 A 17 17 GLU CA C 17 58.253 58.231 0.022 1
1 119 . 11 1 1 A 17 17 GLU HA H 17 4.225 4.363 -0.138 1
1 120 . 11 1 1 A 17 17 GLU CB C 17 29.552 30.606 -1.054 1
1 124 . 11 1 1 A 17 17 GLU C C 17 177.171 178.114 -0.943 1
1 127 . 11 1 1 A 18 18 CYS N N 18 114.840 115.200 -0.360 1
1 128 . 11 1 1 A 18 18 CYS H H 18 8.023 8.133 -0.110 1
1 129 . 11 1 1 A 18 18 CYS CA C 18 58.322 59.305 -0.983 1
1 130 . 11 1 1 A 18 18 CYS HA H 18 5.169 4.735 0.434 1
1 131 . 11 1 1 A 18 18 CYS CB C 18 32.619 30.467 2.152 1
1 133 . 11 1 1 A 18 18 CYS C C 18 176.373 175.749 0.624 1
1 135 . 11 1 1 A 19 19 GLY N N 19 113.504 110.277 3.227 1
1 136 . 11 1 1 A 19 19 GLY H H 19 8.164 8.535 -0.371 1
1 137 . 11 1 1 A 19 19 GLY CA C 19 46.263 45.043 1.220 1
1 138 . 11 1 1 A 19 19 GLY HA3 H 19 4.177 4.022 0.155 1
1 139 . 11 1 1 A 19 19 GLY C C 19 173.670 174.426 -0.756 1
1 140 . 11 1 1 A 19 19 GLY HA2 H 19 3.743 4.009 -0.266 1
1 141 . 11 1 1 A 20 20 LYS N N 20 122.939 122.448 0.491 1
1 142 . 11 1 1 A 20 20 LYS H H 20 7.950 7.599 0.351 1
1 143 . 11 1 1 A 20 20 LYS CA C 20 58.169 56.449 1.720 1
1 144 . 11 1 1 A 20 20 LYS HA H 20 3.947 4.050 -0.103 1
1 145 . 11 1 1 A 20 20 LYS CB C 20 33.712 32.504 1.208 1
1 153 . 11 1 1 A 20 20 LYS C C 20 173.404 175.506 -2.102 1
1 158 . 11 1 1 A 21 21 ALA N N 21 123.614 129.853 -6.239 1
1 159 . 11 1 1 A 21 21 ALA H H 21 7.752 8.379 -0.627 1
1 160 . 11 1 1 A 21 21 ALA CA C 21 50.174 50.809 -0.635 1
1 161 . 11 1 1 A 21 21 ALA HA H 21 5.114 5.114 0.000 1
1 162 . 11 1 1 A 21 21 ALA CB C 21 22.563 20.499 2.064 1
1 166 . 11 1 1 A 21 21 ALA C C 21 176.523 176.608 -0.085 1
1 167 . 11 1 1 A 22 22 PHE N N 22 116.849 119.689 -2.840 1
1 168 . 11 1 1 A 22 22 PHE H H 22 8.926 9.093 -0.167 1
1 169 . 11 1 1 A 22 22 PHE CA C 22 57.347 57.128 0.219 1
1 170 . 11 1 1 A 22 22 PHE HA H 22 4.736 4.996 -0.260 1
1 171 . 11 1 1 A 22 22 PHE CB C 22 44.094 42.933 1.161 1
1 183 . 11 1 1 A 22 22 PHE C C 22 176.070 176.287 -0.217 1
1 185 . 11 1 1 A 23 23 ARG N N 23 118.853 122.400 -3.547 1
1 186 . 11 1 1 A 23 23 ARG H H 23 9.278 9.005 0.273 1
1 187 . 11 1 1 A 23 23 ARG CA C 23 57.758 57.654 0.104 1
1 188 . 11 1 1 A 23 23 ARG HA H 23 4.507 4.229 0.278 1
1 189 . 11 1 1 A 23 23 ARG CB C 23 31.163 31.340 -0.177 1
1 195 . 11 1 1 A 23 23 ARG C C 23 175.555 175.364 0.191 1
1 199 . 11 1 1 A 24 24 SER N N 24 109.867 111.271 -1.404 1
1 200 . 11 1 1 A 24 24 SER H H 24 7.445 7.902 -0.457 1
1 201 . 11 1 1 A 24 24 SER CA C 24 55.916 57.157 -1.241 1
1 202 . 11 1 1 A 24 24 SER HA H 24 4.716 3.925 0.791 1
1 203 . 11 1 1 A 24 24 SER CB C 24 66.155 66.684 -0.529 1
1 205 . 11 1 1 A 24 24 SER C C 24 173.335 174.024 -0.689 1
1 207 . 11 1 1 A 25 25 LYS N N 25 125.390 125.326 0.064 1
1 208 . 11 1 1 A 25 25 LYS H H 25 8.308 8.615 -0.307 1
1 209 . 11 1 1 A 25 25 LYS CA C 25 59.004 59.980 -0.976 1
1 210 . 11 1 1 A 25 25 LYS HA H 25 3.212 4.145 -0.933 1
1 211 . 11 1 1 A 25 25 LYS CB C 25 31.811 32.636 -0.825 1
1 219 . 11 1 1 A 25 25 LYS C C 25 178.128 178.325 -0.197 1
1 224 . 11 1 1 A 26 26 SER N N 26 113.087 115.451 -2.364 1
1 225 . 11 1 1 A 26 26 SER H H 26 8.198 8.318 -0.120 1
1 226 . 11 1 1 A 26 26 SER CA C 26 61.434 61.301 0.133 1
1 227 . 11 1 1 A 26 26 SER HA H 26 3.944 4.263 -0.319 1
1 228 . 11 1 1 A 26 26 SER CB C 26 61.936 62.642 -0.706 1
1 230 . 11 1 1 A 26 26 SER C C 26 176.875 176.491 0.384 1
1 232 . 11 1 1 A 27 27 TYR N N 27 119.500 123.733 -4.233 1
1 233 . 11 1 1 A 27 27 TYR H H 27 7.262 7.627 -0.365 1
1 234 . 11 1 1 A 27 27 TYR CA C 27 59.906 60.165 -0.259 1
1 235 . 11 1 1 A 27 27 TYR HA H 27 4.245 4.197 0.048 1
1 236 . 11 1 1 A 27 27 TYR CB C 27 37.518 38.880 -1.362 1
1 246 . 11 1 1 A 27 27 TYR C C 27 178.410 177.459 0.951 1
1 248 . 11 1 1 A 28 28 LEU N N 28 122.215 119.819 2.396 1
1 249 . 11 1 1 A 28 28 LEU H H 28 7.340 7.876 -0.536 1
1 250 . 11 1 1 A 28 28 LEU CA C 28 58.160 56.496 1.664 1
1 251 . 11 1 1 A 28 28 LEU HA H 28 3.372 2.235 1.137 1
1 252 . 11 1 1 A 28 28 LEU CB C 28 40.641 42.027 -1.386 1
1 264 . 11 1 1 A 28 28 LEU C C 28 178.010 178.240 -0.230 1
1 266 . 11 1 1 A 29 29 ILE N N 29 121.146 118.944 2.202 1
1 267 . 11 1 1 A 29 29 ILE H H 29 8.364 8.049 0.315 1
1 268 . 11 1 1 A 29 29 ILE CA C 29 65.133 65.142 -0.009 1
1 269 . 11 1 1 A 29 29 ILE HA H 29 3.650 3.510 0.140 1
1 270 . 11 1 1 A 29 29 ILE CB C 29 37.476 37.452 0.024 1
1 282 . 11 1 1 A 29 29 ILE C C 29 179.053 178.486 0.567 1
1 284 . 11 1 1 A 30 30 ILE N N 30 119.869 117.382 2.487 1
1 285 . 11 1 1 A 30 30 ILE H H 30 7.447 7.355 0.092 1
1 286 . 11 1 1 A 30 30 ILE CA C 30 65.067 63.567 1.500 1
1 287 . 11 1 1 A 30 30 ILE HA H 30 3.513 3.889 -0.376 1
1 288 . 11 1 1 A 30 30 ILE CB C 30 38.321 37.357 0.964 1
1 300 . 11 1 1 A 30 30 ILE C C 30 178.755 177.552 1.203 1
1 302 . 11 1 1 A 31 31 HIS N N 31 119.137 122.268 -3.131 1
1 303 . 11 1 1 A 31 31 HIS H H 31 7.717 7.579 0.138 1
1 304 . 11 1 1 A 31 31 HIS CA C 31 59.468 59.203 0.265 1
1 305 . 11 1 1 A 31 31 HIS HA H 31 4.231 4.160 0.071 1
1 306 . 11 1 1 A 31 31 HIS CB C 31 28.172 30.090 -1.918 1
1 312 . 11 1 1 A 31 31 HIS C C 31 178.382 177.179 1.203 1
1 314 . 11 1 1 A 32 32 THR N N 32 116.707 113.832 2.875 1
1 315 . 11 1 1 A 32 32 THR H H 32 9.007 8.829 0.178 1
1 316 . 11 1 1 A 32 32 THR CA C 32 66.925 65.516 1.409 1
1 317 . 11 1 1 A 32 32 THR HA H 32 3.710 4.188 -0.478 1
1 318 . 11 1 1 A 32 32 THR CB C 32 69.079 69.036 0.043 1
1 324 . 11 1 1 A 32 32 THR C C 32 176.003 176.803 -0.800 1
1 325 . 11 1 1 A 33 33 ARG N N 33 119.936 120.142 -0.206 1
1 326 . 11 1 1 A 33 33 ARG H H 33 7.256 8.056 -0.800 1
1 327 . 11 1 1 A 33 33 ARG CA C 33 58.571 58.888 -0.317 1
1 328 . 11 1 1 A 33 33 ARG HA H 33 4.219 4.110 0.109 1
1 329 . 11 1 1 A 33 33 ARG CB C 33 29.786 30.073 -0.287 1
1 335 . 11 1 1 A 33 33 ARG C C 33 178.241 178.574 -0.333 1
1 339 . 11 1 1 A 34 34 THR N N 34 109.982 114.542 -4.560 1
1 340 . 11 1 1 A 34 34 THR H H 34 7.821 8.271 -0.450 1
1 341 . 11 1 1 A 34 34 THR CA C 34 64.062 64.307 -0.245 1
1 342 . 11 1 1 A 34 34 THR HA H 34 4.111 3.993 0.118 1
1 343 . 11 1 1 A 34 34 THR CB C 34 69.241 68.584 0.657 1
1 349 . 11 1 1 A 34 34 THR C C 34 175.691 176.196 -0.505 1
1 350 . 11 1 1 A 35 35 HIS N N 35 118.562 118.646 -0.084 1
1 351 . 11 1 1 A 35 35 HIS H H 35 7.303 7.815 -0.512 1
1 352 . 11 1 1 A 35 35 HIS CA C 35 55.753 58.429 -2.676 1
1 353 . 11 1 1 A 35 35 HIS HA H 35 4.833 4.440 0.393 1
1 354 . 11 1 1 A 35 35 HIS CB C 35 28.760 29.508 -0.748 1
1 360 . 11 1 1 A 35 35 HIS C C 35 175.857 175.814 0.043 1
1 362 . 11 1 1 A 36 36 THR N N 36 111.405 113.597 -2.192 1
1 363 . 11 1 1 A 36 36 THR H H 36 7.836 8.454 -0.618 1
1 364 . 11 1 1 A 36 36 THR CA C 36 62.358 61.171 1.187 1
1 365 . 11 1 1 A 36 36 THR HA H 36 4.359 4.431 -0.072 1
1 366 . 11 1 1 A 36 36 THR CB C 36 69.861 69.233 0.628 1
1 372 . 11 1 1 A 36 36 THR C C 36 175.557 175.371 0.186 1
1 373 . 11 1 1 A 37 37 GLY N N 37 110.788 109.746 1.042 1
1 374 . 11 1 1 A 37 37 GLY H H 37 8.256 7.170 1.086 1
1 375 . 11 1 1 A 37 37 GLY CA C 37 45.471 45.995 -0.524 1
1 376 . 11 1 1 A 37 37 GLY HA3 H 37 3.933 4.012 -0.079 1
1 377 . 11 1 1 A 37 37 GLY C C 37 174.315 173.628 0.687 1
1 378 . 11 1 1 A 37 37 GLY HA2 H 37 4.037 3.999 0.038 1
1 379 . 11 1 1 A 38 38 GLU N N 38 120.671 120.011 0.660 1
1 380 . 11 1 1 A 38 38 GLU H H 38 8.139 7.636 0.503 1
1 381 . 11 1 1 A 38 38 GLU CA C 38 56.638 55.002 1.636 1
1 382 . 11 1 1 A 38 38 GLU HA H 38 4.271 4.561 -0.290 1
1 383 . 11 1 1 A 38 38 GLU CB C 38 30.487 30.684 -0.197 1
1 387 . 11 1 1 A 38 38 GLU C C 38 176.506 176.537 -0.031 1
1 390 . 11 1 1 A 39 39 SER N N 39 116.808 121.722 -4.914 1
1 391 . 11 1 1 A 39 39 SER H H 39 8.416 8.925 -0.509 1
1 392 . 11 1 1 A 39 39 SER CA C 39 58.427 61.776 -3.349 1
1 393 . 11 1 1 A 39 39 SER HA H 39 4.440 4.359 0.081 1
1 394 . 11 1 1 A 39 39 SER CB C 39 64.030 63.584 0.446 1
1 396 . 11 1 1 A 39 39 SER C C 39 174.564 174.855 -0.291 1
1 398 . 11 1 1 A 40 40 GLY N N 40 110.559 105.079 5.480 1
1 399 . 11 1 1 A 40 40 GLY H H 40 8.236 7.449 0.787 1
1 400 . 11 1 1 A 40 40 GLY CA C 40 44.652 45.290 -0.638 1
1 401 . 11 1 1 A 40 40 GLY HA3 H 40 4.045 4.043 0.002 1
1 402 . 11 1 1 A 40 40 GLY C C 40 171.663 171.326 0.337 1
1 403 . 11 1 1 A 40 40 GLY HA2 H 40 4.139 4.036 0.103 1
1 404 . 11 1 1 A 41 41 PRO CA C 41 63.186 62.729 0.457 1
1 405 . 11 1 1 A 41 41 PRO HA H 41 4.459 4.577 -0.118 1
1 406 . 11 1 1 A 41 41 PRO CB C 41 32.141 32.205 -0.064 1
1 412 . 11 1 1 A 41 41 PRO C C 41 177.354 175.977 1.377 1
1 416 . 11 1 1 A 42 42 SER N N 42 116.533 117.723 -1.190 1
1 417 . 11 1 1 A 42 42 SER H H 42 8.540 8.505 0.035 1
1 418 . 11 1 1 A 42 42 SER CA C 42 58.357 57.437 0.920 1
1 419 . 11 1 1 A 42 42 SER HA H 42 4.458 4.929 -0.471 1
1 420 . 11 1 1 A 42 42 SER CB C 42 63.799 64.757 -0.958 1
1 422 . 11 1 1 A 42 42 SER C C 42 174.657 173.922 0.735 1
1 424 . 11 1 1 A 43 43 SER N N 43 117.855 117.989 -0.134 1
1 425 . 11 1 1 A 43 43 SER H H 43 8.309 8.590 -0.281 1
1 426 . 11 1 1 A 43 43 SER CA C 43 58.342 57.120 1.222 1
1 427 . 11 1 1 A 43 43 SER HA H 43 4.451 5.088 -0.637 1
1 428 . 11 1 1 A 43 43 SER CB C 43 64.100 67.023 -2.923 1
1 430 . 11 1 1 A 43 43 SER C C 43 173.896 174.609 -0.713 1
1 1 . 12 1 1 A 7 7 GLY CA C 7 45.465 45.386 0.079 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 4.004 3.938 0.066 1
1 3 . 12 1 1 A 7 7 GLY C C 7 174.505 175.838 -1.333 1
1 4 . 12 1 1 A 7 7 GLY HA2 H 7 4.004 3.937 0.067 1
1 5 . 12 1 1 A 8 8 THR N N 8 112.992 118.870 -5.878 1
1 6 . 12 1 1 A 8 8 THR H H 8 8.116 7.885 0.231 1
1 7 . 12 1 1 A 8 8 THR CA C 8 62.003 62.703 -0.700 1
1 8 . 12 1 1 A 8 8 THR HA H 8 4.339 4.455 -0.116 1
1 9 . 12 1 1 A 8 8 THR CB C 8 69.816 69.642 0.174 1
1 15 . 12 1 1 A 8 8 THR C C 8 175.226 174.573 0.653 1
1 16 . 12 1 1 A 9 9 GLY N N 9 110.864 108.554 2.310 1
1 17 . 12 1 1 A 9 9 GLY H H 9 8.444 7.367 1.077 1
1 18 . 12 1 1 A 9 9 GLY CA C 9 45.365 45.529 -0.164 1
1 19 . 12 1 1 A 9 9 GLY HA3 H 9 3.928 4.011 -0.083 1
1 20 . 12 1 1 A 9 9 GLY C C 9 174.085 171.931 2.154 1
1 21 . 12 1 1 A 9 9 GLY HA2 H 9 3.928 4.010 -0.082 1
1 22 . 12 1 1 A 10 10 MET N N 10 119.413 120.027 -0.614 1
1 23 . 12 1 1 A 10 10 MET H H 10 8.136 8.160 -0.024 1
1 24 . 12 1 1 A 10 10 MET CA C 10 55.711 53.852 1.859 1
1 25 . 12 1 1 A 10 10 MET HA H 10 4.375 5.145 -0.770 1
1 26 . 12 1 1 A 10 10 MET CB C 10 32.785 33.436 -0.651 1
1 34 . 12 1 1 A 10 10 MET C C 10 176.047 175.027 1.020 1
1 37 . 12 1 1 A 11 11 LYS N N 11 122.314 125.883 -3.569 1
1 38 . 12 1 1 A 11 11 LYS H H 11 8.236 8.628 -0.392 1
1 39 . 12 1 1 A 11 11 LYS CA C 11 53.843 53.743 0.100 1
1 40 . 12 1 1 A 11 11 LYS HA H 11 4.511 4.965 -0.454 1
1 41 . 12 1 1 A 11 11 LYS CB C 11 32.984 33.092 -0.108 1
1 49 . 12 1 1 A 11 11 LYS C C 11 173.828 175.143 -1.315 1
1 54 . 12 1 1 A 12 12 PRO CA C 12 63.240 65.084 -1.844 1
1 55 . 12 1 1 A 12 12 PRO HA H 12 4.296 4.091 0.205 1
1 56 . 12 1 1 A 12 12 PRO CB C 12 32.231 31.201 1.030 1
1 62 . 12 1 1 A 12 12 PRO C C 12 176.278 176.154 0.124 1
1 66 . 12 1 1 A 13 13 TYR N N 13 119.354 115.506 3.848 1
1 67 . 12 1 1 A 13 13 TYR H H 13 7.989 8.066 -0.077 1
1 68 . 12 1 1 A 13 13 TYR CA C 13 57.665 57.435 0.230 1
1 69 . 12 1 1 A 13 13 TYR HA H 13 4.568 4.891 -0.323 1
1 70 . 12 1 1 A 13 13 TYR CB C 13 38.332 39.399 -1.067 1
1 80 . 12 1 1 A 13 13 TYR C C 13 174.439 175.512 -1.073 1
1 82 . 12 1 1 A 14 14 VAL N N 14 124.765 121.206 3.559 1
1 83 . 12 1 1 A 14 14 VAL H H 14 8.407 7.324 1.083 1
1 84 . 12 1 1 A 14 14 VAL CA C 14 61.341 62.825 -1.484 1
1 85 . 12 1 1 A 14 14 VAL HA H 14 4.583 4.297 0.286 1
1 86 . 12 1 1 A 14 14 VAL CB C 14 34.420 32.374 2.046 1
1 96 . 12 1 1 A 14 14 VAL C C 14 175.329 175.647 -0.318 1
1 97 . 12 1 1 A 15 15 CYS N N 15 128.696 127.181 1.515 1
1 98 . 12 1 1 A 15 15 CYS H H 15 9.225 9.164 0.061 1
1 99 . 12 1 1 A 15 15 CYS CA C 15 59.512 59.694 -0.182 1
1 100 . 12 1 1 A 15 15 CYS HA H 15 4.512 4.566 -0.054 1
1 101 . 12 1 1 A 15 15 CYS CB C 15 29.777 28.493 1.284 1
1 103 . 12 1 1 A 15 15 CYS C C 15 176.992 176.282 0.710 1
1 105 . 12 1 1 A 16 16 ASN N N 16 130.445 126.824 3.621 1
1 106 . 12 1 1 A 16 16 ASN H H 16 9.373 8.951 0.422 1
1 107 . 12 1 1 A 16 16 ASN CA C 16 55.598 55.198 0.400 1
1 108 . 12 1 1 A 16 16 ASN HA H 16 4.521 4.638 -0.117 1
1 109 . 12 1 1 A 16 16 ASN CB C 16 38.593 38.113 0.480 1
1 114 . 12 1 1 A 16 16 ASN C C 16 175.261 176.643 -1.382 1
1 116 . 12 1 1 A 17 17 GLU N N 17 120.657 118.352 2.305 1
1 117 . 12 1 1 A 17 17 GLU H H 17 8.766 7.987 0.779 1
1 118 . 12 1 1 A 17 17 GLU CA C 17 58.253 58.745 -0.492 1
1 119 . 12 1 1 A 17 17 GLU HA H 17 4.225 4.260 -0.035 1
1 120 . 12 1 1 A 17 17 GLU CB C 17 29.552 30.641 -1.089 1
1 124 . 12 1 1 A 17 17 GLU C C 17 177.171 178.315 -1.144 1
1 127 . 12 1 1 A 18 18 CYS N N 18 114.840 114.776 0.064 1
1 128 . 12 1 1 A 18 18 CYS H H 18 8.023 8.264 -0.241 1
1 129 . 12 1 1 A 18 18 CYS CA C 18 58.322 59.490 -1.168 1
1 130 . 12 1 1 A 18 18 CYS HA H 18 5.169 4.699 0.470 1
1 131 . 12 1 1 A 18 18 CYS CB C 18 32.619 30.252 2.367 1
1 133 . 12 1 1 A 18 18 CYS C C 18 176.373 175.589 0.784 1
1 135 . 12 1 1 A 19 19 GLY N N 19 113.504 109.999 3.505 1
1 136 . 12 1 1 A 19 19 GLY H H 19 8.164 8.341 -0.177 1
1 137 . 12 1 1 A 19 19 GLY CA C 19 46.263 45.017 1.246 1
1 138 . 12 1 1 A 19 19 GLY HA3 H 19 4.177 3.963 0.214 1
1 139 . 12 1 1 A 19 19 GLY C C 19 173.670 174.393 -0.723 1
1 140 . 12 1 1 A 19 19 GLY HA2 H 19 3.743 3.954 -0.211 1
1 141 . 12 1 1 A 20 20 LYS N N 20 122.939 122.398 0.541 1
1 142 . 12 1 1 A 20 20 LYS H H 20 7.950 7.455 0.495 1
1 143 . 12 1 1 A 20 20 LYS CA C 20 58.169 56.463 1.706 1
1 144 . 12 1 1 A 20 20 LYS HA H 20 3.947 3.966 -0.019 1
1 145 . 12 1 1 A 20 20 LYS CB C 20 33.712 32.980 0.732 1
1 153 . 12 1 1 A 20 20 LYS C C 20 173.404 175.634 -2.230 1
1 158 . 12 1 1 A 21 21 ALA N N 21 123.614 129.622 -6.008 1
1 159 . 12 1 1 A 21 21 ALA H H 21 7.752 8.269 -0.517 1
1 160 . 12 1 1 A 21 21 ALA CA C 21 50.174 50.672 -0.498 1
1 161 . 12 1 1 A 21 21 ALA HA H 21 5.114 4.845 0.269 1
1 162 . 12 1 1 A 21 21 ALA CB C 21 22.563 20.174 2.389 1
1 166 . 12 1 1 A 21 21 ALA C C 21 176.523 176.566 -0.043 1
1 167 . 12 1 1 A 22 22 PHE N N 22 116.849 120.208 -3.359 1
1 168 . 12 1 1 A 22 22 PHE H H 22 8.926 9.027 -0.101 1
1 169 . 12 1 1 A 22 22 PHE CA C 22 57.347 57.048 0.299 1
1 170 . 12 1 1 A 22 22 PHE HA H 22 4.736 4.757 -0.021 1
1 171 . 12 1 1 A 22 22 PHE CB C 22 44.094 42.271 1.823 1
1 183 . 12 1 1 A 22 22 PHE C C 22 176.070 175.900 0.170 1
1 185 . 12 1 1 A 23 23 ARG N N 23 118.853 120.881 -2.028 1
1 186 . 12 1 1 A 23 23 ARG H H 23 9.278 8.909 0.369 1
1 187 . 12 1 1 A 23 23 ARG CA C 23 57.758 57.283 0.475 1
1 188 . 12 1 1 A 23 23 ARG HA H 23 4.507 4.222 0.285 1
1 189 . 12 1 1 A 23 23 ARG CB C 23 31.163 30.943 0.220 1
1 195 . 12 1 1 A 23 23 ARG C C 23 175.555 175.513 0.042 1
1 199 . 12 1 1 A 24 24 SER N N 24 109.867 111.541 -1.674 1
1 200 . 12 1 1 A 24 24 SER H H 24 7.445 7.655 -0.210 1
1 201 . 12 1 1 A 24 24 SER CA C 24 55.916 55.801 0.115 1
1 202 . 12 1 1 A 24 24 SER HA H 24 4.716 3.718 0.998 1
1 203 . 12 1 1 A 24 24 SER CB C 24 66.155 65.231 0.924 1
1 205 . 12 1 1 A 24 24 SER C C 24 173.335 174.005 -0.670 1
1 207 . 12 1 1 A 25 25 LYS N N 25 125.390 126.713 -1.323 1
1 208 . 12 1 1 A 25 25 LYS H H 25 8.308 8.880 -0.572 1
1 209 . 12 1 1 A 25 25 LYS CA C 25 59.004 59.874 -0.870 1
1 210 . 12 1 1 A 25 25 LYS HA H 25 3.212 4.169 -0.957 1
1 211 . 12 1 1 A 25 25 LYS CB C 25 31.811 32.184 -0.373 1
1 219 . 12 1 1 A 25 25 LYS C C 25 178.128 177.661 0.467 1
1 224 . 12 1 1 A 26 26 SER N N 26 113.087 114.494 -1.407 1
1 225 . 12 1 1 A 26 26 SER H H 26 8.198 7.990 0.208 1
1 226 . 12 1 1 A 26 26 SER CA C 26 61.434 60.726 0.708 1
1 227 . 12 1 1 A 26 26 SER HA H 26 3.944 4.236 -0.292 1
1 228 . 12 1 1 A 26 26 SER CB C 26 61.936 63.272 -1.336 1
1 230 . 12 1 1 A 26 26 SER C C 26 176.875 176.511 0.364 1
1 232 . 12 1 1 A 27 27 TYR N N 27 119.500 122.759 -3.259 1
1 233 . 12 1 1 A 27 27 TYR H H 27 7.262 7.632 -0.370 1
1 234 . 12 1 1 A 27 27 TYR CA C 27 59.906 60.801 -0.895 1
1 235 . 12 1 1 A 27 27 TYR HA H 27 4.245 4.134 0.111 1
1 236 . 12 1 1 A 27 27 TYR CB C 27 37.518 38.562 -1.044 1
1 246 . 12 1 1 A 27 27 TYR C C 27 178.410 177.195 1.215 1
1 248 . 12 1 1 A 28 28 LEU N N 28 122.215 120.482 1.733 1
1 249 . 12 1 1 A 28 28 LEU H H 28 7.340 7.479 -0.139 1
1 250 . 12 1 1 A 28 28 LEU CA C 28 58.160 57.342 0.818 1
1 251 . 12 1 1 A 28 28 LEU HA H 28 3.372 3.147 0.225 1
1 252 . 12 1 1 A 28 28 LEU CB C 28 40.641 41.241 -0.600 1
1 264 . 12 1 1 A 28 28 LEU C C 28 178.010 178.672 -0.662 1
1 266 . 12 1 1 A 29 29 ILE N N 29 121.146 118.707 2.439 1
1 267 . 12 1 1 A 29 29 ILE H H 29 8.364 7.811 0.553 1
1 268 . 12 1 1 A 29 29 ILE CA C 29 65.133 64.657 0.476 1
1 269 . 12 1 1 A 29 29 ILE HA H 29 3.650 3.713 -0.063 1
1 270 . 12 1 1 A 29 29 ILE CB C 29 37.476 37.630 -0.154 1
1 282 . 12 1 1 A 29 29 ILE C C 29 179.053 178.045 1.008 1
1 284 . 12 1 1 A 30 30 ILE N N 30 119.869 117.055 2.814 1
1 285 . 12 1 1 A 30 30 ILE H H 30 7.447 7.272 0.175 1
1 286 . 12 1 1 A 30 30 ILE CA C 30 65.067 63.326 1.741 1
1 287 . 12 1 1 A 30 30 ILE HA H 30 3.513 3.948 -0.435 1
1 288 . 12 1 1 A 30 30 ILE CB C 30 38.321 37.356 0.965 1
1 300 . 12 1 1 A 30 30 ILE C C 30 178.755 177.809 0.946 1
1 302 . 12 1 1 A 31 31 HIS N N 31 119.137 121.542 -2.405 1
1 303 . 12 1 1 A 31 31 HIS H H 31 7.717 8.008 -0.291 1
1 304 . 12 1 1 A 31 31 HIS CA C 31 59.468 59.132 0.336 1
1 305 . 12 1 1 A 31 31 HIS HA H 31 4.231 4.279 -0.048 1
1 306 . 12 1 1 A 31 31 HIS CB C 31 28.172 30.322 -2.150 1
1 312 . 12 1 1 A 31 31 HIS C C 31 178.382 177.137 1.245 1
1 314 . 12 1 1 A 32 32 THR N N 32 116.707 113.902 2.805 1
1 315 . 12 1 1 A 32 32 THR H H 32 9.007 8.577 0.430 1
1 316 . 12 1 1 A 32 32 THR CA C 32 66.925 65.040 1.885 1
1 317 . 12 1 1 A 32 32 THR HA H 32 3.710 4.186 -0.476 1
1 318 . 12 1 1 A 32 32 THR CB C 32 69.079 68.839 0.240 1
1 324 . 12 1 1 A 32 32 THR C C 32 176.003 176.546 -0.543 1
1 325 . 12 1 1 A 33 33 ARG N N 33 119.936 119.948 -0.012 1
1 326 . 12 1 1 A 33 33 ARG H H 33 7.256 8.448 -1.192 1
1 327 . 12 1 1 A 33 33 ARG CA C 33 58.571 58.708 -0.137 1
1 328 . 12 1 1 A 33 33 ARG HA H 33 4.219 4.132 0.087 1
1 329 . 12 1 1 A 33 33 ARG CB C 33 29.786 30.071 -0.285 1
1 335 . 12 1 1 A 33 33 ARG C C 33 178.241 178.200 0.041 1
1 339 . 12 1 1 A 34 34 THR N N 34 109.982 111.800 -1.818 1
1 340 . 12 1 1 A 34 34 THR H H 34 7.821 8.383 -0.562 1
1 341 . 12 1 1 A 34 34 THR CA C 34 64.062 65.061 -0.999 1
1 342 . 12 1 1 A 34 34 THR HA H 34 4.111 4.021 0.090 1
1 343 . 12 1 1 A 34 34 THR CB C 34 69.241 68.179 1.062 1
1 349 . 12 1 1 A 34 34 THR C C 34 175.691 176.757 -1.066 1
1 350 . 12 1 1 A 35 35 HIS N N 35 118.562 119.713 -1.151 1
1 351 . 12 1 1 A 35 35 HIS H H 35 7.303 7.189 0.114 1
1 352 . 12 1 1 A 35 35 HIS CA C 35 55.753 58.985 -3.232 1
1 353 . 12 1 1 A 35 35 HIS HA H 35 4.833 4.303 0.530 1
1 354 . 12 1 1 A 35 35 HIS CB C 35 28.760 29.403 -0.643 1
1 360 . 12 1 1 A 35 35 HIS C C 35 175.857 177.851 -1.994 1
1 362 . 12 1 1 A 36 36 THR N N 36 111.405 112.187 -0.782 1
1 363 . 12 1 1 A 36 36 THR H H 36 7.836 7.434 0.402 1
1 364 . 12 1 1 A 36 36 THR CA C 36 62.358 65.303 -2.945 1
1 365 . 12 1 1 A 36 36 THR HA H 36 4.359 3.982 0.377 1
1 366 . 12 1 1 A 36 36 THR CB C 36 69.861 69.363 0.498 1
1 372 . 12 1 1 A 36 36 THR C C 36 175.557 174.906 0.651 1
1 373 . 12 1 1 A 37 37 GLY N N 37 110.788 107.836 2.952 1
1 374 . 12 1 1 A 37 37 GLY H H 37 8.256 7.855 0.401 1
1 375 . 12 1 1 A 37 37 GLY CA C 37 45.471 45.864 -0.393 1
1 376 . 12 1 1 A 37 37 GLY HA3 H 37 3.933 4.043 -0.110 1
1 377 . 12 1 1 A 37 37 GLY C C 37 174.315 175.356 -1.041 1
1 378 . 12 1 1 A 37 37 GLY HA2 H 37 4.037 4.032 0.005 1
1 379 . 12 1 1 A 38 38 GLU N N 38 120.671 120.180 0.491 1
1 380 . 12 1 1 A 38 38 GLU H H 38 8.139 8.179 -0.040 1
1 381 . 12 1 1 A 38 38 GLU CA C 38 56.638 59.493 -2.855 1
1 382 . 12 1 1 A 38 38 GLU HA H 38 4.271 4.047 0.224 1
1 383 . 12 1 1 A 38 38 GLU CB C 38 30.487 28.954 1.533 1
1 387 . 12 1 1 A 38 38 GLU C C 38 176.506 177.406 -0.900 1
1 390 . 12 1 1 A 39 39 SER N N 39 116.808 114.397 2.411 1
1 391 . 12 1 1 A 39 39 SER H H 39 8.416 7.629 0.787 1
1 392 . 12 1 1 A 39 39 SER CA C 39 58.427 57.882 0.545 1
1 393 . 12 1 1 A 39 39 SER HA H 39 4.440 4.586 -0.146 1
1 394 . 12 1 1 A 39 39 SER CB C 39 64.030 63.385 0.645 1
1 396 . 12 1 1 A 39 39 SER C C 39 174.564 174.503 0.061 1
1 398 . 12 1 1 A 40 40 GLY N N 40 110.559 111.971 -1.412 1
1 399 . 12 1 1 A 40 40 GLY H H 40 8.236 8.045 0.191 1
1 400 . 12 1 1 A 40 40 GLY CA C 40 44.652 44.868 -0.216 1
1 401 . 12 1 1 A 40 40 GLY HA3 H 40 4.045 3.948 0.097 1
1 402 . 12 1 1 A 40 40 GLY C C 40 171.663 174.371 -2.708 1
1 403 . 12 1 1 A 40 40 GLY HA2 H 40 4.139 3.947 0.192 1
1 404 . 12 1 1 A 41 41 PRO CA C 41 63.186 63.579 -0.393 1
1 405 . 12 1 1 A 41 41 PRO HA H 41 4.459 4.525 -0.066 1
1 406 . 12 1 1 A 41 41 PRO CB C 41 32.141 32.091 0.050 1
1 412 . 12 1 1 A 41 41 PRO C C 41 177.354 177.679 -0.325 1
1 416 . 12 1 1 A 42 42 SER N N 42 116.533 115.752 0.781 1
1 417 . 12 1 1 A 42 42 SER H H 42 8.540 7.720 0.820 1
1 418 . 12 1 1 A 42 42 SER CA C 42 58.357 59.199 -0.842 1
1 419 . 12 1 1 A 42 42 SER HA H 42 4.458 4.199 0.259 1
1 420 . 12 1 1 A 42 42 SER CB C 42 63.799 60.837 2.962 1
1 422 . 12 1 1 A 42 42 SER C C 42 174.657 173.586 1.071 1
1 424 . 12 1 1 A 43 43 SER N N 43 117.855 113.566 4.289 1
1 425 . 12 1 1 A 43 43 SER H H 43 8.309 7.772 0.537 1
1 426 . 12 1 1 A 43 43 SER CA C 43 58.342 56.111 2.231 1
1 427 . 12 1 1 A 43 43 SER HA H 43 4.451 5.032 -0.581 1
1 428 . 12 1 1 A 43 43 SER CB C 43 64.100 66.188 -2.088 1
1 430 . 12 1 1 A 43 43 SER C C 43 173.896 173.889 0.007 1
1 1 . 13 1 1 A 7 7 GLY CA C 7 45.465 45.652 -0.187 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 4.004 4.077 -0.073 1
1 3 . 13 1 1 A 7 7 GLY C C 7 174.505 173.741 0.764 1
1 4 . 13 1 1 A 7 7 GLY HA2 H 7 4.004 4.076 -0.072 1
1 5 . 13 1 1 A 8 8 THR N N 8 112.992 121.064 -8.072 1
1 6 . 13 1 1 A 8 8 THR H H 8 8.116 8.939 -0.823 1
1 7 . 13 1 1 A 8 8 THR CA C 8 62.003 63.435 -1.432 1
1 8 . 13 1 1 A 8 8 THR HA H 8 4.339 4.459 -0.120 1
1 9 . 13 1 1 A 8 8 THR CB C 8 69.816 70.413 -0.597 1
1 15 . 13 1 1 A 8 8 THR C C 8 175.226 174.576 0.650 1
1 16 . 13 1 1 A 9 9 GLY N N 9 110.864 106.577 4.287 1
1 17 . 13 1 1 A 9 9 GLY H H 9 8.444 7.563 0.881 1
1 18 . 13 1 1 A 9 9 GLY CA C 9 45.365 43.738 1.627 1
1 19 . 13 1 1 A 9 9 GLY HA3 H 9 3.928 4.086 -0.158 1
1 20 . 13 1 1 A 9 9 GLY C C 9 174.085 173.047 1.038 1
1 21 . 13 1 1 A 9 9 GLY HA2 H 9 3.928 4.086 -0.158 1
1 22 . 13 1 1 A 10 10 MET N N 10 119.413 120.145 -0.732 1
1 23 . 13 1 1 A 10 10 MET H H 10 8.136 8.432 -0.296 1
1 24 . 13 1 1 A 10 10 MET CA C 10 55.711 54.158 1.553 1
1 25 . 13 1 1 A 10 10 MET HA H 10 4.375 4.783 -0.408 1
1 26 . 13 1 1 A 10 10 MET CB C 10 32.785 31.370 1.415 1
1 34 . 13 1 1 A 10 10 MET C C 10 176.047 175.352 0.695 1
1 37 . 13 1 1 A 11 11 LYS N N 11 122.314 125.374 -3.060 1
1 38 . 13 1 1 A 11 11 LYS H H 11 8.236 7.940 0.296 1
1 39 . 13 1 1 A 11 11 LYS CA C 11 53.843 53.461 0.382 1
1 40 . 13 1 1 A 11 11 LYS HA H 11 4.511 5.033 -0.522 1
1 41 . 13 1 1 A 11 11 LYS CB C 11 32.984 33.144 -0.160 1
1 49 . 13 1 1 A 11 11 LYS C C 11 173.828 175.182 -1.354 1
1 54 . 13 1 1 A 12 12 PRO CA C 12 63.240 65.683 -2.443 1
1 55 . 13 1 1 A 12 12 PRO HA H 12 4.296 4.088 0.208 1
1 56 . 13 1 1 A 12 12 PRO CB C 12 32.231 31.079 1.152 1
1 62 . 13 1 1 A 12 12 PRO C C 12 176.278 177.136 -0.858 1
1 66 . 13 1 1 A 13 13 TYR N N 13 119.354 117.177 2.177 1
1 67 . 13 1 1 A 13 13 TYR H H 13 7.989 8.239 -0.250 1
1 68 . 13 1 1 A 13 13 TYR CA C 13 57.665 57.449 0.216 1
1 69 . 13 1 1 A 13 13 TYR HA H 13 4.568 4.823 -0.255 1
1 70 . 13 1 1 A 13 13 TYR CB C 13 38.332 38.267 0.065 1
1 80 . 13 1 1 A 13 13 TYR C C 13 174.439 176.062 -1.623 1
1 82 . 13 1 1 A 14 14 VAL N N 14 124.765 121.353 3.412 1
1 83 . 13 1 1 A 14 14 VAL H H 14 8.407 7.331 1.076 1
1 84 . 13 1 1 A 14 14 VAL CA C 14 61.341 62.802 -1.461 1
1 85 . 13 1 1 A 14 14 VAL HA H 14 4.583 4.318 0.265 1
1 86 . 13 1 1 A 14 14 VAL CB C 14 34.420 32.324 2.096 1
1 96 . 13 1 1 A 14 14 VAL C C 14 175.329 176.130 -0.801 1
1 97 . 13 1 1 A 15 15 CYS N N 15 128.696 127.379 1.317 1
1 98 . 13 1 1 A 15 15 CYS H H 15 9.225 9.072 0.153 1
1 99 . 13 1 1 A 15 15 CYS CA C 15 59.512 60.045 -0.533 1
1 100 . 13 1 1 A 15 15 CYS HA H 15 4.512 4.504 0.008 1
1 101 . 13 1 1 A 15 15 CYS CB C 15 29.777 28.946 0.831 1
1 103 . 13 1 1 A 15 15 CYS C C 15 176.992 175.988 1.004 1
1 105 . 13 1 1 A 16 16 ASN N N 16 130.445 126.325 4.120 1
1 106 . 13 1 1 A 16 16 ASN H H 16 9.373 9.061 0.312 1
1 107 . 13 1 1 A 16 16 ASN CA C 16 55.598 53.368 2.230 1
1 108 . 13 1 1 A 16 16 ASN HA H 16 4.521 4.903 -0.382 1
1 109 . 13 1 1 A 16 16 ASN CB C 16 38.593 38.783 -0.190 1
1 114 . 13 1 1 A 16 16 ASN C C 16 175.261 175.712 -0.451 1
1 116 . 13 1 1 A 17 17 GLU N N 17 120.657 117.530 3.127 1
1 117 . 13 1 1 A 17 17 GLU H H 17 8.766 7.921 0.845 1
1 118 . 13 1 1 A 17 17 GLU CA C 17 58.253 57.204 1.049 1
1 119 . 13 1 1 A 17 17 GLU HA H 17 4.225 4.509 -0.284 1
1 120 . 13 1 1 A 17 17 GLU CB C 17 29.552 32.197 -2.645 1
1 124 . 13 1 1 A 17 17 GLU C C 17 177.171 177.849 -0.678 1
1 127 . 13 1 1 A 18 18 CYS N N 18 114.840 115.020 -0.180 1
1 128 . 13 1 1 A 18 18 CYS H H 18 8.023 8.165 -0.142 1
1 129 . 13 1 1 A 18 18 CYS CA C 18 58.322 59.506 -1.184 1
1 130 . 13 1 1 A 18 18 CYS HA H 18 5.169 4.745 0.424 1
1 131 . 13 1 1 A 18 18 CYS CB C 18 32.619 30.213 2.406 1
1 133 . 13 1 1 A 18 18 CYS C C 18 176.373 175.654 0.719 1
1 135 . 13 1 1 A 19 19 GLY N N 19 113.504 110.276 3.228 1
1 136 . 13 1 1 A 19 19 GLY H H 19 8.164 8.189 -0.025 1
1 137 . 13 1 1 A 19 19 GLY CA C 19 46.263 45.039 1.224 1
1 138 . 13 1 1 A 19 19 GLY HA3 H 19 4.177 4.052 0.125 1
1 139 . 13 1 1 A 19 19 GLY C C 19 173.670 174.349 -0.679 1
1 140 . 13 1 1 A 19 19 GLY HA2 H 19 3.743 4.047 -0.304 1
1 141 . 13 1 1 A 20 20 LYS N N 20 122.939 122.518 0.421 1
1 142 . 13 1 1 A 20 20 LYS H H 20 7.950 7.585 0.365 1
1 143 . 13 1 1 A 20 20 LYS CA C 20 58.169 55.920 2.249 1
1 144 . 13 1 1 A 20 20 LYS HA H 20 3.947 4.084 -0.137 1
1 145 . 13 1 1 A 20 20 LYS CB C 20 33.712 32.364 1.348 1
1 153 . 13 1 1 A 20 20 LYS C C 20 173.404 175.471 -2.067 1
1 158 . 13 1 1 A 21 21 ALA N N 21 123.614 129.752 -6.138 1
1 159 . 13 1 1 A 21 21 ALA H H 21 7.752 8.276 -0.524 1
1 160 . 13 1 1 A 21 21 ALA CA C 21 50.174 51.054 -0.880 1
1 161 . 13 1 1 A 21 21 ALA HA H 21 5.114 5.085 0.029 1
1 162 . 13 1 1 A 21 21 ALA CB C 21 22.563 20.754 1.809 1
1 166 . 13 1 1 A 21 21 ALA C C 21 176.523 176.463 0.060 1
1 167 . 13 1 1 A 22 22 PHE N N 22 116.849 117.538 -0.689 1
1 168 . 13 1 1 A 22 22 PHE H H 22 8.926 8.785 0.141 1
1 169 . 13 1 1 A 22 22 PHE CA C 22 57.347 57.023 0.324 1
1 170 . 13 1 1 A 22 22 PHE HA H 22 4.736 4.907 -0.171 1
1 171 . 13 1 1 A 22 22 PHE CB C 22 44.094 43.601 0.493 1
1 183 . 13 1 1 A 22 22 PHE C C 22 176.070 175.660 0.410 1
1 185 . 13 1 1 A 23 23 ARG N N 23 118.853 122.239 -3.386 1
1 186 . 13 1 1 A 23 23 ARG H H 23 9.278 8.928 0.350 1
1 187 . 13 1 1 A 23 23 ARG CA C 23 57.758 57.100 0.658 1
1 188 . 13 1 1 A 23 23 ARG HA H 23 4.507 4.262 0.245 1
1 189 . 13 1 1 A 23 23 ARG CB C 23 31.163 31.525 -0.362 1
1 195 . 13 1 1 A 23 23 ARG C C 23 175.555 174.748 0.807 1
1 199 . 13 1 1 A 24 24 SER N N 24 109.867 112.464 -2.597 1
1 200 . 13 1 1 A 24 24 SER H H 24 7.445 7.751 -0.306 1
1 201 . 13 1 1 A 24 24 SER CA C 24 55.916 55.620 0.296 1
1 202 . 13 1 1 A 24 24 SER HA H 24 4.716 3.655 1.061 1
1 203 . 13 1 1 A 24 24 SER CB C 24 66.155 65.466 0.689 1
1 205 . 13 1 1 A 24 24 SER C C 24 173.335 173.357 -0.022 1
1 207 . 13 1 1 A 25 25 LYS N N 25 125.390 126.480 -1.090 1
1 208 . 13 1 1 A 25 25 LYS H H 25 8.308 9.218 -0.910 1
1 209 . 13 1 1 A 25 25 LYS CA C 25 59.004 59.912 -0.908 1
1 210 . 13 1 1 A 25 25 LYS HA H 25 3.212 4.130 -0.918 1
1 211 . 13 1 1 A 25 25 LYS CB C 25 31.811 32.917 -1.106 1
1 219 . 13 1 1 A 25 25 LYS C C 25 178.128 178.664 -0.536 1
1 224 . 13 1 1 A 26 26 SER N N 26 113.087 114.163 -1.076 1
1 225 . 13 1 1 A 26 26 SER H H 26 8.198 8.329 -0.131 1
1 226 . 13 1 1 A 26 26 SER CA C 26 61.434 61.289 0.145 1
1 227 . 13 1 1 A 26 26 SER HA H 26 3.944 4.255 -0.311 1
1 228 . 13 1 1 A 26 26 SER CB C 26 61.936 62.724 -0.788 1
1 230 . 13 1 1 A 26 26 SER C C 26 176.875 176.073 0.802 1
1 232 . 13 1 1 A 27 27 TYR N N 27 119.500 119.562 -0.062 1
1 233 . 13 1 1 A 27 27 TYR H H 27 7.262 7.526 -0.264 1
1 234 . 13 1 1 A 27 27 TYR CA C 27 59.906 60.767 -0.861 1
1 235 . 13 1 1 A 27 27 TYR HA H 27 4.245 4.186 0.059 1
1 236 . 13 1 1 A 27 27 TYR CB C 27 37.518 38.405 -0.887 1
1 246 . 13 1 1 A 27 27 TYR C C 27 178.410 177.949 0.461 1
1 248 . 13 1 1 A 28 28 LEU N N 28 122.215 120.648 1.567 1
1 249 . 13 1 1 A 28 28 LEU H H 28 7.340 8.119 -0.779 1
1 250 . 13 1 1 A 28 28 LEU CA C 28 58.160 57.241 0.919 1
1 251 . 13 1 1 A 28 28 LEU HA H 28 3.372 3.350 0.022 1
1 252 . 13 1 1 A 28 28 LEU CB C 28 40.641 41.857 -1.216 1
1 264 . 13 1 1 A 28 28 LEU C C 28 178.010 178.487 -0.477 1
1 266 . 13 1 1 A 29 29 ILE N N 29 121.146 118.835 2.311 1
1 267 . 13 1 1 A 29 29 ILE H H 29 8.364 8.265 0.099 1
1 268 . 13 1 1 A 29 29 ILE CA C 29 65.133 65.173 -0.040 1
1 269 . 13 1 1 A 29 29 ILE HA H 29 3.650 3.580 0.070 1
1 270 . 13 1 1 A 29 29 ILE CB C 29 37.476 37.857 -0.381 1
1 282 . 13 1 1 A 29 29 ILE C C 29 179.053 178.352 0.701 1
1 284 . 13 1 1 A 30 30 ILE N N 30 119.869 117.285 2.584 1
1 285 . 13 1 1 A 30 30 ILE H H 30 7.447 7.437 0.010 1
1 286 . 13 1 1 A 30 30 ILE CA C 30 65.067 63.546 1.521 1
1 287 . 13 1 1 A 30 30 ILE HA H 30 3.513 3.917 -0.404 1
1 288 . 13 1 1 A 30 30 ILE CB C 30 38.321 37.408 0.913 1
1 300 . 13 1 1 A 30 30 ILE C C 30 178.755 177.456 1.299 1
1 302 . 13 1 1 A 31 31 HIS N N 31 119.137 121.786 -2.649 1
1 303 . 13 1 1 A 31 31 HIS H H 31 7.717 7.961 -0.244 1
1 304 . 13 1 1 A 31 31 HIS CA C 31 59.468 58.885 0.583 1
1 305 . 13 1 1 A 31 31 HIS HA H 31 4.231 4.369 -0.138 1
1 306 . 13 1 1 A 31 31 HIS CB C 31 28.172 30.186 -2.014 1
1 312 . 13 1 1 A 31 31 HIS C C 31 178.382 177.301 1.081 1
1 314 . 13 1 1 A 32 32 THR N N 32 116.707 114.936 1.771 1
1 315 . 13 1 1 A 32 32 THR H H 32 9.007 8.414 0.593 1
1 316 . 13 1 1 A 32 32 THR CA C 32 66.925 65.468 1.457 1
1 317 . 13 1 1 A 32 32 THR HA H 32 3.710 4.351 -0.641 1
1 318 . 13 1 1 A 32 32 THR CB C 32 69.079 68.337 0.742 1
1 324 . 13 1 1 A 32 32 THR C C 32 176.003 175.950 0.053 1
1 325 . 13 1 1 A 33 33 ARG N N 33 119.936 120.930 -0.994 1
1 326 . 13 1 1 A 33 33 ARG H H 33 7.256 8.671 -1.415 1
1 327 . 13 1 1 A 33 33 ARG CA C 33 58.571 58.228 0.343 1
1 328 . 13 1 1 A 33 33 ARG HA H 33 4.219 4.205 0.014 1
1 329 . 13 1 1 A 33 33 ARG CB C 33 29.786 29.645 0.141 1
1 335 . 13 1 1 A 33 33 ARG C C 33 178.241 178.604 -0.363 1
1 339 . 13 1 1 A 34 34 THR N N 34 109.982 114.682 -4.700 1
1 340 . 13 1 1 A 34 34 THR H H 34 7.821 7.811 0.010 1
1 341 . 13 1 1 A 34 34 THR CA C 34 64.062 64.864 -0.802 1
1 342 . 13 1 1 A 34 34 THR HA H 34 4.111 3.962 0.149 1
1 343 . 13 1 1 A 34 34 THR CB C 34 69.241 68.610 0.631 1
1 349 . 13 1 1 A 34 34 THR C C 34 175.691 176.211 -0.520 1
1 350 . 13 1 1 A 35 35 HIS N N 35 118.562 117.713 0.849 1
1 351 . 13 1 1 A 35 35 HIS H H 35 7.303 7.639 -0.336 1
1 352 . 13 1 1 A 35 35 HIS CA C 35 55.753 56.020 -0.267 1
1 353 . 13 1 1 A 35 35 HIS HA H 35 4.833 4.596 0.237 1
1 354 . 13 1 1 A 35 35 HIS CB C 35 28.760 29.815 -1.055 1
1 360 . 13 1 1 A 35 35 HIS C C 35 175.857 174.233 1.624 1
1 362 . 13 1 1 A 36 36 THR N N 36 111.405 110.353 1.052 1
1 363 . 13 1 1 A 36 36 THR H H 36 7.836 7.705 0.131 1
1 364 . 13 1 1 A 36 36 THR CA C 36 62.358 62.985 -0.627 1
1 365 . 13 1 1 A 36 36 THR HA H 36 4.359 3.826 0.533 1
1 366 . 13 1 1 A 36 36 THR CB C 36 69.861 66.671 3.190 1
1 372 . 13 1 1 A 36 36 THR C C 36 175.557 174.534 1.023 1
1 373 . 13 1 1 A 37 37 GLY N N 37 110.788 107.564 3.224 1
1 374 . 13 1 1 A 37 37 GLY H H 37 8.256 8.072 0.184 1
1 375 . 13 1 1 A 37 37 GLY CA C 37 45.471 45.911 -0.440 1
1 376 . 13 1 1 A 37 37 GLY HA3 H 37 3.933 4.130 -0.197 1
1 377 . 13 1 1 A 37 37 GLY C C 37 174.315 173.704 0.611 1
1 378 . 13 1 1 A 37 37 GLY HA2 H 37 4.037 4.121 -0.084 1
1 379 . 13 1 1 A 38 38 GLU N N 38 120.671 119.384 1.287 1
1 380 . 13 1 1 A 38 38 GLU H H 38 8.139 7.861 0.278 1
1 381 . 13 1 1 A 38 38 GLU CA C 38 56.638 56.881 -0.243 1
1 382 . 13 1 1 A 38 38 GLU HA H 38 4.271 4.266 0.005 1
1 383 . 13 1 1 A 38 38 GLU CB C 38 30.487 30.143 0.344 1
1 387 . 13 1 1 A 38 38 GLU C C 38 176.506 177.318 -0.812 1
1 390 . 13 1 1 A 39 39 SER N N 39 116.808 117.034 -0.226 1
1 391 . 13 1 1 A 39 39 SER H H 39 8.416 8.880 -0.464 1
1 392 . 13 1 1 A 39 39 SER CA C 39 58.427 59.877 -1.450 1
1 393 . 13 1 1 A 39 39 SER HA H 39 4.440 4.190 0.250 1
1 394 . 13 1 1 A 39 39 SER CB C 39 64.030 63.982 0.048 1
1 396 . 13 1 1 A 39 39 SER C C 39 174.564 174.732 -0.168 1
1 398 . 13 1 1 A 40 40 GLY N N 40 110.559 107.469 3.090 1
1 399 . 13 1 1 A 40 40 GLY H H 40 8.236 7.675 0.561 1
1 400 . 13 1 1 A 40 40 GLY CA C 40 44.652 44.796 -0.144 1
1 401 . 13 1 1 A 40 40 GLY HA3 H 40 4.045 4.083 -0.038 1
1 402 . 13 1 1 A 40 40 GLY C C 40 171.663 173.676 -2.013 1
1 403 . 13 1 1 A 40 40 GLY HA2 H 40 4.139 4.083 0.056 1
1 404 . 13 1 1 A 41 41 PRO CA C 41 63.186 64.883 -1.697 1
1 405 . 13 1 1 A 41 41 PRO HA H 41 4.459 4.337 0.122 1
1 406 . 13 1 1 A 41 41 PRO CB C 41 32.141 31.847 0.294 1
1 412 . 13 1 1 A 41 41 PRO C C 41 177.354 177.256 0.098 1
1 416 . 13 1 1 A 42 42 SER N N 42 116.533 111.838 4.695 1
1 417 . 13 1 1 A 42 42 SER H H 42 8.540 8.062 0.478 1
1 418 . 13 1 1 A 42 42 SER CA C 42 58.357 59.049 -0.692 1
1 419 . 13 1 1 A 42 42 SER HA H 42 4.458 4.229 0.229 1
1 420 . 13 1 1 A 42 42 SER CB C 42 63.799 61.311 2.488 1
1 422 . 13 1 1 A 42 42 SER C C 42 174.657 174.224 0.433 1
1 424 . 13 1 1 A 43 43 SER N N 43 117.855 112.861 4.994 1
1 425 . 13 1 1 A 43 43 SER H H 43 8.309 8.186 0.123 1
1 426 . 13 1 1 A 43 43 SER CA C 43 58.342 57.483 0.859 1
1 427 . 13 1 1 A 43 43 SER HA H 43 4.451 4.520 -0.069 1
1 428 . 13 1 1 A 43 43 SER CB C 43 64.100 62.764 1.336 1
1 430 . 13 1 1 A 43 43 SER C C 43 173.896 175.087 -1.191 1
1 1 . 14 1 1 A 7 7 GLY CA C 7 45.465 44.345 1.120 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 4.004 4.189 -0.185 1
1 3 . 14 1 1 A 7 7 GLY C C 7 174.505 172.794 1.711 1
1 4 . 14 1 1 A 7 7 GLY HA2 H 7 4.004 4.188 -0.184 1
1 5 . 14 1 1 A 8 8 THR N N 8 112.992 115.770 -2.778 1
1 6 . 14 1 1 A 8 8 THR H H 8 8.116 8.393 -0.277 1
1 7 . 14 1 1 A 8 8 THR CA C 8 62.003 63.285 -1.282 1
1 8 . 14 1 1 A 8 8 THR HA H 8 4.339 4.184 0.155 1
1 9 . 14 1 1 A 8 8 THR CB C 8 69.816 68.879 0.937 1
1 15 . 14 1 1 A 8 8 THR C C 8 175.226 175.499 -0.273 1
1 16 . 14 1 1 A 9 9 GLY N N 9 110.864 116.262 -5.398 1
1 17 . 14 1 1 A 9 9 GLY H H 9 8.444 8.861 -0.417 1
1 18 . 14 1 1 A 9 9 GLY CA C 9 45.365 45.689 -0.324 1
1 19 . 14 1 1 A 9 9 GLY HA3 H 9 3.928 4.003 -0.075 1
1 20 . 14 1 1 A 9 9 GLY C C 9 174.085 174.707 -0.622 1
1 21 . 14 1 1 A 9 9 GLY HA2 H 9 3.928 4.000 -0.072 1
1 22 . 14 1 1 A 10 10 MET N N 10 119.413 120.587 -1.174 1
1 23 . 14 1 1 A 10 10 MET H H 10 8.136 7.983 0.153 1
1 24 . 14 1 1 A 10 10 MET CA C 10 55.711 56.963 -1.252 1
1 25 . 14 1 1 A 10 10 MET HA H 10 4.375 4.431 -0.056 1
1 26 . 14 1 1 A 10 10 MET CB C 10 32.785 33.852 -1.067 1
1 34 . 14 1 1 A 10 10 MET C C 10 176.047 176.002 0.045 1
1 37 . 14 1 1 A 11 11 LYS N N 11 122.314 119.452 2.862 1
1 38 . 14 1 1 A 11 11 LYS H H 11 8.236 7.511 0.725 1
1 39 . 14 1 1 A 11 11 LYS CA C 11 53.843 54.509 -0.666 1
1 40 . 14 1 1 A 11 11 LYS HA H 11 4.511 4.470 0.041 1
1 41 . 14 1 1 A 11 11 LYS CB C 11 32.984 32.161 0.823 1
1 49 . 14 1 1 A 11 11 LYS C C 11 173.828 176.513 -2.685 1
1 54 . 14 1 1 A 12 12 PRO CA C 12 63.240 65.650 -2.410 1
1 55 . 14 1 1 A 12 12 PRO HA H 12 4.296 4.119 0.177 1
1 56 . 14 1 1 A 12 12 PRO CB C 12 32.231 31.145 1.086 1
1 62 . 14 1 1 A 12 12 PRO C C 12 176.278 177.060 -0.782 1
1 66 . 14 1 1 A 13 13 TYR N N 13 119.354 117.079 2.275 1
1 67 . 14 1 1 A 13 13 TYR H H 13 7.989 8.212 -0.223 1
1 68 . 14 1 1 A 13 13 TYR CA C 13 57.665 57.101 0.564 1
1 69 . 14 1 1 A 13 13 TYR HA H 13 4.568 4.782 -0.214 1
1 70 . 14 1 1 A 13 13 TYR CB C 13 38.332 38.547 -0.215 1
1 80 . 14 1 1 A 13 13 TYR C C 13 174.439 176.009 -1.570 1
1 82 . 14 1 1 A 14 14 VAL N N 14 124.765 121.340 3.425 1
1 83 . 14 1 1 A 14 14 VAL H H 14 8.407 7.333 1.074 1
1 84 . 14 1 1 A 14 14 VAL CA C 14 61.341 62.773 -1.432 1
1 85 . 14 1 1 A 14 14 VAL HA H 14 4.583 4.479 0.104 1
1 86 . 14 1 1 A 14 14 VAL CB C 14 34.420 32.278 2.142 1
1 96 . 14 1 1 A 14 14 VAL C C 14 175.329 175.888 -0.559 1
1 97 . 14 1 1 A 15 15 CYS N N 15 128.696 127.188 1.508 1
1 98 . 14 1 1 A 15 15 CYS H H 15 9.225 9.109 0.116 1
1 99 . 14 1 1 A 15 15 CYS CA C 15 59.512 59.846 -0.334 1
1 100 . 14 1 1 A 15 15 CYS HA H 15 4.512 4.517 -0.005 1
1 101 . 14 1 1 A 15 15 CYS CB C 15 29.777 28.746 1.031 1
1 103 . 14 1 1 A 15 15 CYS C C 15 176.992 175.867 1.125 1
1 105 . 14 1 1 A 16 16 ASN N N 16 130.445 126.352 4.093 1
1 106 . 14 1 1 A 16 16 ASN H H 16 9.373 9.067 0.306 1
1 107 . 14 1 1 A 16 16 ASN CA C 16 55.598 53.387 2.211 1
1 108 . 14 1 1 A 16 16 ASN HA H 16 4.521 4.937 -0.416 1
1 109 . 14 1 1 A 16 16 ASN CB C 16 38.593 38.850 -0.257 1
1 114 . 14 1 1 A 16 16 ASN C C 16 175.261 175.723 -0.462 1
1 116 . 14 1 1 A 17 17 GLU N N 17 120.657 117.728 2.929 1
1 117 . 14 1 1 A 17 17 GLU H H 17 8.766 7.987 0.779 1
1 118 . 14 1 1 A 17 17 GLU CA C 17 58.253 57.278 0.975 1
1 119 . 14 1 1 A 17 17 GLU HA H 17 4.225 4.529 -0.304 1
1 120 . 14 1 1 A 17 17 GLU CB C 17 29.552 32.349 -2.797 1
1 124 . 14 1 1 A 17 17 GLU C C 17 177.171 177.810 -0.639 1
1 127 . 14 1 1 A 18 18 CYS N N 18 114.840 115.042 -0.202 1
1 128 . 14 1 1 A 18 18 CYS H H 18 8.023 8.171 -0.148 1
1 129 . 14 1 1 A 18 18 CYS CA C 18 58.322 59.547 -1.225 1
1 130 . 14 1 1 A 18 18 CYS HA H 18 5.169 4.729 0.440 1
1 131 . 14 1 1 A 18 18 CYS CB C 18 32.619 30.146 2.473 1
1 133 . 14 1 1 A 18 18 CYS C C 18 176.373 175.594 0.779 1
1 135 . 14 1 1 A 19 19 GLY N N 19 113.504 110.297 3.207 1
1 136 . 14 1 1 A 19 19 GLY H H 19 8.164 8.188 -0.024 1
1 137 . 14 1 1 A 19 19 GLY CA C 19 46.263 45.141 1.122 1
1 138 . 14 1 1 A 19 19 GLY HA3 H 19 4.177 4.061 0.116 1
1 139 . 14 1 1 A 19 19 GLY C C 19 173.670 174.314 -0.644 1
1 140 . 14 1 1 A 19 19 GLY HA2 H 19 3.743 4.052 -0.309 1
1 141 . 14 1 1 A 20 20 LYS N N 20 122.939 122.536 0.403 1
1 142 . 14 1 1 A 20 20 LYS H H 20 7.950 7.568 0.382 1
1 143 . 14 1 1 A 20 20 LYS CA C 20 58.169 55.812 2.357 1
1 144 . 14 1 1 A 20 20 LYS HA H 20 3.947 4.170 -0.223 1
1 145 . 14 1 1 A 20 20 LYS CB C 20 33.712 32.400 1.312 1
1 153 . 14 1 1 A 20 20 LYS C C 20 173.404 175.557 -2.153 1
1 158 . 14 1 1 A 21 21 ALA N N 21 123.614 129.852 -6.238 1
1 159 . 14 1 1 A 21 21 ALA H H 21 7.752 8.447 -0.695 1
1 160 . 14 1 1 A 21 21 ALA CA C 21 50.174 50.871 -0.697 1
1 161 . 14 1 1 A 21 21 ALA HA H 21 5.114 5.043 0.071 1
1 162 . 14 1 1 A 21 21 ALA CB C 21 22.563 20.440 2.123 1
1 166 . 14 1 1 A 21 21 ALA C C 21 176.523 176.679 -0.156 1
1 167 . 14 1 1 A 22 22 PHE N N 22 116.849 119.734 -2.885 1
1 168 . 14 1 1 A 22 22 PHE H H 22 8.926 9.208 -0.282 1
1 169 . 14 1 1 A 22 22 PHE CA C 22 57.347 57.190 0.157 1
1 170 . 14 1 1 A 22 22 PHE HA H 22 4.736 5.022 -0.286 1
1 171 . 14 1 1 A 22 22 PHE CB C 22 44.094 42.443 1.651 1
1 183 . 14 1 1 A 22 22 PHE C C 22 176.070 176.163 -0.093 1
1 185 . 14 1 1 A 23 23 ARG N N 23 118.853 121.468 -2.615 1
1 186 . 14 1 1 A 23 23 ARG H H 23 9.278 9.068 0.210 1
1 187 . 14 1 1 A 23 23 ARG CA C 23 57.758 57.690 0.068 1
1 188 . 14 1 1 A 23 23 ARG HA H 23 4.507 4.190 0.317 1
1 189 . 14 1 1 A 23 23 ARG CB C 23 31.163 30.488 0.675 1
1 195 . 14 1 1 A 23 23 ARG C C 23 175.555 175.939 -0.384 1
1 199 . 14 1 1 A 24 24 SER N N 24 109.867 114.108 -4.241 1
1 200 . 14 1 1 A 24 24 SER H H 24 7.445 7.809 -0.364 1
1 201 . 14 1 1 A 24 24 SER CA C 24 55.916 57.119 -1.203 1
1 202 . 14 1 1 A 24 24 SER HA H 24 4.716 4.016 0.700 1
1 203 . 14 1 1 A 24 24 SER CB C 24 66.155 66.637 -0.482 1
1 205 . 14 1 1 A 24 24 SER C C 24 173.335 174.166 -0.831 1
1 207 . 14 1 1 A 25 25 LYS N N 25 125.390 125.514 -0.124 1
1 208 . 14 1 1 A 25 25 LYS H H 25 8.308 8.790 -0.482 1
1 209 . 14 1 1 A 25 25 LYS CA C 25 59.004 60.036 -1.032 1
1 210 . 14 1 1 A 25 25 LYS HA H 25 3.212 4.098 -0.886 1
1 211 . 14 1 1 A 25 25 LYS CB C 25 31.811 32.305 -0.494 1
1 219 . 14 1 1 A 25 25 LYS C C 25 178.128 178.448 -0.320 1
1 224 . 14 1 1 A 26 26 SER N N 26 113.087 117.034 -3.947 1
1 225 . 14 1 1 A 26 26 SER H H 26 8.198 8.166 0.032 1
1 226 . 14 1 1 A 26 26 SER CA C 26 61.434 62.460 -1.026 1
1 227 . 14 1 1 A 26 26 SER HA H 26 3.944 4.159 -0.215 1
1 228 . 14 1 1 A 26 26 SER CB C 26 61.936 63.332 -1.396 1
1 230 . 14 1 1 A 26 26 SER C C 26 176.875 175.977 0.898 1
1 232 . 14 1 1 A 27 27 TYR N N 27 119.500 123.571 -4.071 1
1 233 . 14 1 1 A 27 27 TYR H H 27 7.262 7.589 -0.327 1
1 234 . 14 1 1 A 27 27 TYR CA C 27 59.906 60.527 -0.621 1
1 235 . 14 1 1 A 27 27 TYR HA H 27 4.245 4.229 0.016 1
1 236 . 14 1 1 A 27 27 TYR CB C 27 37.518 38.690 -1.172 1
1 246 . 14 1 1 A 27 27 TYR C C 27 178.410 177.510 0.900 1
1 248 . 14 1 1 A 28 28 LEU N N 28 122.215 119.727 2.488 1
1 249 . 14 1 1 A 28 28 LEU H H 28 7.340 7.821 -0.481 1
1 250 . 14 1 1 A 28 28 LEU CA C 28 58.160 56.414 1.746 1
1 251 . 14 1 1 A 28 28 LEU HA H 28 3.372 2.563 0.809 1
1 252 . 14 1 1 A 28 28 LEU CB C 28 40.641 41.954 -1.313 1
1 264 . 14 1 1 A 28 28 LEU C C 28 178.010 178.388 -0.378 1
1 266 . 14 1 1 A 29 29 ILE N N 29 121.146 119.246 1.900 1
1 267 . 14 1 1 A 29 29 ILE H H 29 8.364 8.178 0.186 1
1 268 . 14 1 1 A 29 29 ILE CA C 29 65.133 65.029 0.104 1
1 269 . 14 1 1 A 29 29 ILE HA H 29 3.650 3.608 0.042 1
1 270 . 14 1 1 A 29 29 ILE CB C 29 37.476 37.270 0.206 1
1 282 . 14 1 1 A 29 29 ILE C C 29 179.053 177.724 1.329 1
1 284 . 14 1 1 A 30 30 ILE N N 30 119.869 116.578 3.291 1
1 285 . 14 1 1 A 30 30 ILE H H 30 7.447 7.318 0.129 1
1 286 . 14 1 1 A 30 30 ILE CA C 30 65.067 63.430 1.637 1
1 287 . 14 1 1 A 30 30 ILE HA H 30 3.513 4.026 -0.513 1
1 288 . 14 1 1 A 30 30 ILE CB C 30 38.321 37.327 0.994 1
1 300 . 14 1 1 A 30 30 ILE C C 30 178.755 177.769 0.986 1
1 302 . 14 1 1 A 31 31 HIS N N 31 119.137 121.707 -2.570 1
1 303 . 14 1 1 A 31 31 HIS H H 31 7.717 7.732 -0.015 1
1 304 . 14 1 1 A 31 31 HIS CA C 31 59.468 58.885 0.583 1
1 305 . 14 1 1 A 31 31 HIS HA H 31 4.231 4.303 -0.072 1
1 306 . 14 1 1 A 31 31 HIS CB C 31 28.172 30.055 -1.883 1
1 312 . 14 1 1 A 31 31 HIS C C 31 178.382 177.291 1.091 1
1 314 . 14 1 1 A 32 32 THR N N 32 116.707 113.788 2.919 1
1 315 . 14 1 1 A 32 32 THR H H 32 9.007 8.300 0.707 1
1 316 . 14 1 1 A 32 32 THR CA C 32 66.925 64.794 2.131 1
1 317 . 14 1 1 A 32 32 THR HA H 32 3.710 4.132 -0.422 1
1 318 . 14 1 1 A 32 32 THR CB C 32 69.079 68.800 0.279 1
1 324 . 14 1 1 A 32 32 THR C C 32 176.003 176.836 -0.833 1
1 325 . 14 1 1 A 33 33 ARG N N 33 119.936 120.115 -0.179 1
1 326 . 14 1 1 A 33 33 ARG H H 33 7.256 8.173 -0.917 1
1 327 . 14 1 1 A 33 33 ARG CA C 33 58.571 58.722 -0.151 1
1 328 . 14 1 1 A 33 33 ARG HA H 33 4.219 4.118 0.101 1
1 329 . 14 1 1 A 33 33 ARG CB C 33 29.786 29.875 -0.089 1
1 335 . 14 1 1 A 33 33 ARG C C 33 178.241 177.952 0.289 1
1 339 . 14 1 1 A 34 34 THR N N 34 109.982 110.956 -0.974 1
1 340 . 14 1 1 A 34 34 THR H H 34 7.821 8.122 -0.301 1
1 341 . 14 1 1 A 34 34 THR CA C 34 64.062 65.662 -1.600 1
1 342 . 14 1 1 A 34 34 THR HA H 34 4.111 4.022 0.089 1
1 343 . 14 1 1 A 34 34 THR CB C 34 69.241 68.113 1.128 1
1 349 . 14 1 1 A 34 34 THR C C 34 175.691 176.672 -0.981 1
1 350 . 14 1 1 A 35 35 HIS N N 35 118.562 119.939 -1.377 1
1 351 . 14 1 1 A 35 35 HIS H H 35 7.303 7.587 -0.284 1
1 352 . 14 1 1 A 35 35 HIS CA C 35 55.753 58.977 -3.224 1
1 353 . 14 1 1 A 35 35 HIS HA H 35 4.833 4.179 0.654 1
1 354 . 14 1 1 A 35 35 HIS CB C 35 28.760 29.442 -0.682 1
1 360 . 14 1 1 A 35 35 HIS C C 35 175.857 177.692 -1.835 1
1 362 . 14 1 1 A 36 36 THR N N 36 111.405 115.210 -3.805 1
1 363 . 14 1 1 A 36 36 THR H H 36 7.836 8.149 -0.313 1
1 364 . 14 1 1 A 36 36 THR CA C 36 62.358 66.325 -3.967 1
1 365 . 14 1 1 A 36 36 THR HA H 36 4.359 3.812 0.547 1
1 366 . 14 1 1 A 36 36 THR CB C 36 69.861 68.691 1.170 1
1 372 . 14 1 1 A 36 36 THR C C 36 175.557 176.327 -0.770 1
1 373 . 14 1 1 A 37 37 GLY N N 37 110.788 108.690 2.098 1
1 374 . 14 1 1 A 37 37 GLY H H 37 8.256 8.437 -0.181 1
1 375 . 14 1 1 A 37 37 GLY CA C 37 45.471 47.314 -1.843 1
1 376 . 14 1 1 A 37 37 GLY HA3 H 37 3.933 3.732 0.201 1
1 377 . 14 1 1 A 37 37 GLY C C 37 174.315 175.532 -1.217 1
1 378 . 14 1 1 A 37 37 GLY HA2 H 37 4.037 3.717 0.320 1
1 379 . 14 1 1 A 38 38 GLU N N 38 120.671 120.714 -0.043 1
1 380 . 14 1 1 A 38 38 GLU H H 38 8.139 7.838 0.301 1
1 381 . 14 1 1 A 38 38 GLU CA C 38 56.638 55.635 1.003 1
1 382 . 14 1 1 A 38 38 GLU HA H 38 4.271 4.451 -0.180 1
1 383 . 14 1 1 A 38 38 GLU CB C 38 30.487 28.451 2.036 1
1 387 . 14 1 1 A 38 38 GLU C C 38 176.506 175.096 1.410 1
1 390 . 14 1 1 A 39 39 SER N N 39 116.808 123.852 -7.044 1
1 391 . 14 1 1 A 39 39 SER H H 39 8.416 8.758 -0.342 1
1 392 . 14 1 1 A 39 39 SER CA C 39 58.427 57.805 0.622 1
1 393 . 14 1 1 A 39 39 SER HA H 39 4.440 4.896 -0.456 1
1 394 . 14 1 1 A 39 39 SER CB C 39 64.030 63.660 0.370 1
1 396 . 14 1 1 A 39 39 SER C C 39 174.564 173.885 0.679 1
1 398 . 14 1 1 A 40 40 GLY N N 40 110.559 114.010 -3.451 1
1 399 . 14 1 1 A 40 40 GLY H H 40 8.236 8.603 -0.367 1
1 400 . 14 1 1 A 40 40 GLY CA C 40 44.652 46.893 -2.241 1
1 401 . 14 1 1 A 40 40 GLY HA3 H 40 4.045 3.900 0.145 1
1 402 . 14 1 1 A 40 40 GLY C C 40 171.663 174.777 -3.114 1
1 403 . 14 1 1 A 40 40 GLY HA2 H 40 4.139 3.895 0.244 1
1 404 . 14 1 1 A 41 41 PRO CA C 41 63.186 63.557 -0.371 1
1 405 . 14 1 1 A 41 41 PRO HA H 41 4.459 4.384 0.075 1
1 406 . 14 1 1 A 41 41 PRO CB C 41 32.141 31.957 0.184 1
1 412 . 14 1 1 A 41 41 PRO C C 41 177.354 176.678 0.676 1
1 416 . 14 1 1 A 42 42 SER N N 42 116.533 112.887 3.646 1
1 417 . 14 1 1 A 42 42 SER H H 42 8.540 8.066 0.474 1
1 418 . 14 1 1 A 42 42 SER CA C 42 58.357 58.786 -0.429 1
1 419 . 14 1 1 A 42 42 SER HA H 42 4.458 4.148 0.310 1
1 420 . 14 1 1 A 42 42 SER CB C 42 63.799 61.361 2.438 1
1 422 . 14 1 1 A 42 42 SER C C 42 174.657 172.996 1.661 1
1 424 . 14 1 1 A 43 43 SER N N 43 117.855 114.383 3.472 1
1 425 . 14 1 1 A 43 43 SER H H 43 8.309 7.879 0.430 1
1 426 . 14 1 1 A 43 43 SER CA C 43 58.342 57.992 0.350 1
1 427 . 14 1 1 A 43 43 SER HA H 43 4.451 4.769 -0.318 1
1 428 . 14 1 1 A 43 43 SER CB C 43 64.100 64.051 0.049 1
1 430 . 14 1 1 A 43 43 SER C C 43 173.896 174.379 -0.483 1
1 1 . 15 1 1 A 7 7 GLY CA C 7 45.465 45.297 0.168 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 4.004 4.200 -0.196 1
1 3 . 15 1 1 A 7 7 GLY C C 7 174.505 175.074 -0.569 1
1 4 . 15 1 1 A 7 7 GLY HA2 H 7 4.004 4.199 -0.195 1
1 5 . 15 1 1 A 8 8 THR N N 8 112.992 115.290 -2.298 1
1 6 . 15 1 1 A 8 8 THR H H 8 8.116 8.441 -0.325 1
1 7 . 15 1 1 A 8 8 THR CA C 8 62.003 65.440 -3.437 1
1 8 . 15 1 1 A 8 8 THR HA H 8 4.339 4.035 0.304 1
1 9 . 15 1 1 A 8 8 THR CB C 8 69.816 69.308 0.508 1
1 15 . 15 1 1 A 8 8 THR C C 8 175.226 175.401 -0.175 1
1 16 . 15 1 1 A 9 9 GLY N N 9 110.864 107.244 3.620 1
1 17 . 15 1 1 A 9 9 GLY H H 9 8.444 8.124 0.320 1
1 18 . 15 1 1 A 9 9 GLY CA C 9 45.365 46.376 -1.011 1
1 19 . 15 1 1 A 9 9 GLY HA3 H 9 3.928 3.934 -0.006 1
1 20 . 15 1 1 A 9 9 GLY C C 9 174.085 173.898 0.187 1
1 21 . 15 1 1 A 9 9 GLY HA2 H 9 3.928 3.934 -0.006 1
1 22 . 15 1 1 A 10 10 MET N N 10 119.413 119.862 -0.449 1
1 23 . 15 1 1 A 10 10 MET H H 10 8.136 7.890 0.246 1
1 24 . 15 1 1 A 10 10 MET CA C 10 55.711 54.388 1.323 1
1 25 . 15 1 1 A 10 10 MET HA H 10 4.375 4.970 -0.595 1
1 26 . 15 1 1 A 10 10 MET CB C 10 32.785 35.436 -2.651 1
1 34 . 15 1 1 A 10 10 MET C C 10 176.047 175.055 0.992 1
1 37 . 15 1 1 A 11 11 LYS N N 11 122.314 125.467 -3.153 1
1 38 . 15 1 1 A 11 11 LYS H H 11 8.236 8.436 -0.200 1
1 39 . 15 1 1 A 11 11 LYS CA C 11 53.843 53.708 0.135 1
1 40 . 15 1 1 A 11 11 LYS HA H 11 4.511 5.038 -0.527 1
1 41 . 15 1 1 A 11 11 LYS CB C 11 32.984 33.206 -0.222 1
1 49 . 15 1 1 A 11 11 LYS C C 11 173.828 175.087 -1.259 1
1 54 . 15 1 1 A 12 12 PRO CA C 12 63.240 65.131 -1.891 1
1 55 . 15 1 1 A 12 12 PRO HA H 12 4.296 4.092 0.204 1
1 56 . 15 1 1 A 12 12 PRO CB C 12 32.231 31.175 1.056 1
1 62 . 15 1 1 A 12 12 PRO C C 12 176.278 176.211 0.067 1
1 66 . 15 1 1 A 13 13 TYR N N 13 119.354 115.507 3.847 1
1 67 . 15 1 1 A 13 13 TYR H H 13 7.989 8.050 -0.061 1
1 68 . 15 1 1 A 13 13 TYR CA C 13 57.665 57.493 0.172 1
1 69 . 15 1 1 A 13 13 TYR HA H 13 4.568 4.920 -0.352 1
1 70 . 15 1 1 A 13 13 TYR CB C 13 38.332 39.554 -1.222 1
1 80 . 15 1 1 A 13 13 TYR C C 13 174.439 175.712 -1.273 1
1 82 . 15 1 1 A 14 14 VAL N N 14 124.765 121.392 3.373 1
1 83 . 15 1 1 A 14 14 VAL H H 14 8.407 7.346 1.061 1
1 84 . 15 1 1 A 14 14 VAL CA C 14 61.341 62.806 -1.465 1
1 85 . 15 1 1 A 14 14 VAL HA H 14 4.583 4.333 0.250 1
1 86 . 15 1 1 A 14 14 VAL CB C 14 34.420 32.364 2.056 1
1 96 . 15 1 1 A 14 14 VAL C C 14 175.329 175.813 -0.484 1
1 97 . 15 1 1 A 15 15 CYS N N 15 128.696 127.607 1.089 1
1 98 . 15 1 1 A 15 15 CYS H H 15 9.225 9.073 0.152 1
1 99 . 15 1 1 A 15 15 CYS CA C 15 59.512 59.815 -0.303 1
1 100 . 15 1 1 A 15 15 CYS HA H 15 4.512 4.568 -0.056 1
1 101 . 15 1 1 A 15 15 CYS CB C 15 29.777 28.737 1.040 1
1 103 . 15 1 1 A 15 15 CYS C C 15 176.992 175.807 1.185 1
1 105 . 15 1 1 A 16 16 ASN N N 16 130.445 126.529 3.916 1
1 106 . 15 1 1 A 16 16 ASN H H 16 9.373 9.029 0.344 1
1 107 . 15 1 1 A 16 16 ASN CA C 16 55.598 53.377 2.221 1
1 108 . 15 1 1 A 16 16 ASN HA H 16 4.521 4.904 -0.383 1
1 109 . 15 1 1 A 16 16 ASN CB C 16 38.593 38.727 -0.134 1
1 114 . 15 1 1 A 16 16 ASN C C 16 175.261 175.788 -0.527 1
1 116 . 15 1 1 A 17 17 GLU N N 17 120.657 117.650 3.007 1
1 117 . 15 1 1 A 17 17 GLU H H 17 8.766 8.019 0.747 1
1 118 . 15 1 1 A 17 17 GLU CA C 17 58.253 57.164 1.089 1
1 119 . 15 1 1 A 17 17 GLU HA H 17 4.225 4.520 -0.295 1
1 120 . 15 1 1 A 17 17 GLU CB C 17 29.552 32.369 -2.817 1
1 124 . 15 1 1 A 17 17 GLU C C 17 177.171 177.656 -0.485 1
1 127 . 15 1 1 A 18 18 CYS N N 18 114.840 115.025 -0.185 1
1 128 . 15 1 1 A 18 18 CYS H H 18 8.023 8.156 -0.133 1
1 129 . 15 1 1 A 18 18 CYS CA C 18 58.322 59.312 -0.990 1
1 130 . 15 1 1 A 18 18 CYS HA H 18 5.169 4.746 0.423 1
1 131 . 15 1 1 A 18 18 CYS CB C 18 32.619 30.444 2.175 1
1 133 . 15 1 1 A 18 18 CYS C C 18 176.373 175.710 0.663 1
1 135 . 15 1 1 A 19 19 GLY N N 19 113.504 110.287 3.217 1
1 136 . 15 1 1 A 19 19 GLY H H 19 8.164 7.979 0.185 1
1 137 . 15 1 1 A 19 19 GLY CA C 19 46.263 45.173 1.090 1
1 138 . 15 1 1 A 19 19 GLY HA3 H 19 4.177 4.039 0.138 1
1 139 . 15 1 1 A 19 19 GLY C C 19 173.670 174.268 -0.598 1
1 140 . 15 1 1 A 19 19 GLY HA2 H 19 3.743 4.034 -0.291 1
1 141 . 15 1 1 A 20 20 LYS N N 20 122.939 122.439 0.500 1
1 142 . 15 1 1 A 20 20 LYS H H 20 7.950 7.601 0.349 1
1 143 . 15 1 1 A 20 20 LYS CA C 20 58.169 55.721 2.448 1
1 144 . 15 1 1 A 20 20 LYS HA H 20 3.947 4.159 -0.212 1
1 145 . 15 1 1 A 20 20 LYS CB C 20 33.712 32.406 1.306 1
1 153 . 15 1 1 A 20 20 LYS C C 20 173.404 175.577 -2.173 1
1 158 . 15 1 1 A 21 21 ALA N N 21 123.614 129.773 -6.159 1
1 159 . 15 1 1 A 21 21 ALA H H 21 7.752 8.309 -0.557 1
1 160 . 15 1 1 A 21 21 ALA CA C 21 50.174 51.075 -0.901 1
1 161 . 15 1 1 A 21 21 ALA HA H 21 5.114 4.982 0.132 1
1 162 . 15 1 1 A 21 21 ALA CB C 21 22.563 20.809 1.754 1
1 166 . 15 1 1 A 21 21 ALA C C 21 176.523 176.443 0.080 1
1 167 . 15 1 1 A 22 22 PHE N N 22 116.849 117.551 -0.702 1
1 168 . 15 1 1 A 22 22 PHE H H 22 8.926 8.774 0.152 1
1 169 . 15 1 1 A 22 22 PHE CA C 22 57.347 57.042 0.305 1
1 170 . 15 1 1 A 22 22 PHE HA H 22 4.736 4.887 -0.151 1
1 171 . 15 1 1 A 22 22 PHE CB C 22 44.094 43.626 0.468 1
1 183 . 15 1 1 A 22 22 PHE C C 22 176.070 175.768 0.302 1
1 185 . 15 1 1 A 23 23 ARG N N 23 118.853 120.735 -1.882 1
1 186 . 15 1 1 A 23 23 ARG H H 23 9.278 9.210 0.068 1
1 187 . 15 1 1 A 23 23 ARG CA C 23 57.758 57.339 0.419 1
1 188 . 15 1 1 A 23 23 ARG HA H 23 4.507 4.277 0.230 1
1 189 . 15 1 1 A 23 23 ARG CB C 23 31.163 31.203 -0.040 1
1 195 . 15 1 1 A 23 23 ARG C C 23 175.555 175.901 -0.346 1
1 199 . 15 1 1 A 24 24 SER N N 24 109.867 111.610 -1.743 1
1 200 . 15 1 1 A 24 24 SER H H 24 7.445 7.773 -0.328 1
1 201 . 15 1 1 A 24 24 SER CA C 24 55.916 55.403 0.513 1
1 202 . 15 1 1 A 24 24 SER HA H 24 4.716 3.890 0.826 1
1 203 . 15 1 1 A 24 24 SER CB C 24 66.155 67.334 -1.179 1
1 205 . 15 1 1 A 24 24 SER C C 24 173.335 174.312 -0.977 1
1 207 . 15 1 1 A 25 25 LYS N N 25 125.390 119.899 5.491 1
1 208 . 15 1 1 A 25 25 LYS H H 25 8.308 9.019 -0.711 1
1 209 . 15 1 1 A 25 25 LYS CA C 25 59.004 59.254 -0.250 1
1 210 . 15 1 1 A 25 25 LYS HA H 25 3.212 4.205 -0.993 1
1 211 . 15 1 1 A 25 25 LYS CB C 25 31.811 32.245 -0.434 1
1 219 . 15 1 1 A 25 25 LYS C C 25 178.128 178.472 -0.344 1
1 224 . 15 1 1 A 26 26 SER N N 26 113.087 114.827 -1.740 1
1 225 . 15 1 1 A 26 26 SER H H 26 8.198 7.918 0.280 1
1 226 . 15 1 1 A 26 26 SER CA C 26 61.434 61.096 0.338 1
1 227 . 15 1 1 A 26 26 SER HA H 26 3.944 4.098 -0.154 1
1 228 . 15 1 1 A 26 26 SER CB C 26 61.936 62.891 -0.955 1
1 230 . 15 1 1 A 26 26 SER C C 26 176.875 176.597 0.278 1
1 232 . 15 1 1 A 27 27 TYR N N 27 119.500 119.206 0.294 1
1 233 . 15 1 1 A 27 27 TYR H H 27 7.262 7.500 -0.238 1
1 234 . 15 1 1 A 27 27 TYR CA C 27 59.906 61.066 -1.160 1
1 235 . 15 1 1 A 27 27 TYR HA H 27 4.245 4.181 0.064 1
1 236 . 15 1 1 A 27 27 TYR CB C 27 37.518 38.065 -0.547 1
1 246 . 15 1 1 A 27 27 TYR C C 27 178.410 178.019 0.391 1
1 248 . 15 1 1 A 28 28 LEU N N 28 122.215 120.368 1.847 1
1 249 . 15 1 1 A 28 28 LEU H H 28 7.340 7.725 -0.385 1
1 250 . 15 1 1 A 28 28 LEU CA C 28 58.160 57.026 1.134 1
1 251 . 15 1 1 A 28 28 LEU HA H 28 3.372 3.166 0.206 1
1 252 . 15 1 1 A 28 28 LEU CB C 28 40.641 41.217 -0.576 1
1 264 . 15 1 1 A 28 28 LEU C C 28 178.010 178.801 -0.791 1
1 266 . 15 1 1 A 29 29 ILE N N 29 121.146 117.836 3.310 1
1 267 . 15 1 1 A 29 29 ILE H H 29 8.364 8.070 0.294 1
1 268 . 15 1 1 A 29 29 ILE CA C 29 65.133 64.410 0.723 1
1 269 . 15 1 1 A 29 29 ILE HA H 29 3.650 3.772 -0.122 1
1 270 . 15 1 1 A 29 29 ILE CB C 29 37.476 37.747 -0.271 1
1 282 . 15 1 1 A 29 29 ILE C C 29 179.053 178.212 0.841 1
1 284 . 15 1 1 A 30 30 ILE N N 30 119.869 116.657 3.212 1
1 285 . 15 1 1 A 30 30 ILE H H 30 7.447 7.508 -0.061 1
1 286 . 15 1 1 A 30 30 ILE CA C 30 65.067 63.469 1.598 1
1 287 . 15 1 1 A 30 30 ILE HA H 30 3.513 4.026 -0.513 1
1 288 . 15 1 1 A 30 30 ILE CB C 30 38.321 37.429 0.892 1
1 300 . 15 1 1 A 30 30 ILE C C 30 178.755 177.796 0.959 1
1 302 . 15 1 1 A 31 31 HIS N N 31 119.137 121.807 -2.670 1
1 303 . 15 1 1 A 31 31 HIS H H 31 7.717 7.973 -0.256 1
1 304 . 15 1 1 A 31 31 HIS CA C 31 59.468 58.858 0.610 1
1 305 . 15 1 1 A 31 31 HIS HA H 31 4.231 4.337 -0.106 1
1 306 . 15 1 1 A 31 31 HIS CB C 31 28.172 30.049 -1.877 1
1 312 . 15 1 1 A 31 31 HIS C C 31 178.382 177.373 1.009 1
1 314 . 15 1 1 A 32 32 THR N N 32 116.707 113.787 2.920 1
1 315 . 15 1 1 A 32 32 THR H H 32 9.007 8.297 0.710 1
1 316 . 15 1 1 A 32 32 THR CA C 32 66.925 64.490 2.435 1
1 317 . 15 1 1 A 32 32 THR HA H 32 3.710 4.250 -0.540 1
1 318 . 15 1 1 A 32 32 THR CB C 32 69.079 68.722 0.357 1
1 324 . 15 1 1 A 32 32 THR C C 32 176.003 176.629 -0.626 1
1 325 . 15 1 1 A 33 33 ARG N N 33 119.936 119.895 0.041 1
1 326 . 15 1 1 A 33 33 ARG H H 33 7.256 8.640 -1.384 1
1 327 . 15 1 1 A 33 33 ARG CA C 33 58.571 58.456 0.115 1
1 328 . 15 1 1 A 33 33 ARG HA H 33 4.219 4.165 0.054 1
1 329 . 15 1 1 A 33 33 ARG CB C 33 29.786 29.774 0.012 1
1 335 . 15 1 1 A 33 33 ARG C C 33 178.241 177.997 0.244 1
1 339 . 15 1 1 A 34 34 THR N N 34 109.982 112.205 -2.223 1
1 340 . 15 1 1 A 34 34 THR H H 34 7.821 8.029 -0.208 1
1 341 . 15 1 1 A 34 34 THR CA C 34 64.062 65.079 -1.017 1
1 342 . 15 1 1 A 34 34 THR HA H 34 4.111 4.065 0.046 1
1 343 . 15 1 1 A 34 34 THR CB C 34 69.241 68.195 1.046 1
1 349 . 15 1 1 A 34 34 THR C C 34 175.691 176.603 -0.912 1
1 350 . 15 1 1 A 35 35 HIS N N 35 118.562 119.527 -0.965 1
1 351 . 15 1 1 A 35 35 HIS H H 35 7.303 7.874 -0.571 1
1 352 . 15 1 1 A 35 35 HIS CA C 35 55.753 58.656 -2.903 1
1 353 . 15 1 1 A 35 35 HIS HA H 35 4.833 4.417 0.416 1
1 354 . 15 1 1 A 35 35 HIS CB C 35 28.760 29.935 -1.175 1
1 360 . 15 1 1 A 35 35 HIS C C 35 175.857 176.425 -0.568 1
1 362 . 15 1 1 A 36 36 THR N N 36 111.405 106.404 5.001 1
1 363 . 15 1 1 A 36 36 THR H H 36 7.836 7.419 0.417 1
1 364 . 15 1 1 A 36 36 THR CA C 36 62.358 60.684 1.674 1
1 365 . 15 1 1 A 36 36 THR HA H 36 4.359 4.590 -0.231 1
1 366 . 15 1 1 A 36 36 THR CB C 36 69.861 68.466 1.395 1
1 372 . 15 1 1 A 36 36 THR C C 36 175.557 175.478 0.079 1
1 373 . 15 1 1 A 37 37 GLY N N 37 110.788 111.279 -0.491 1
1 374 . 15 1 1 A 37 37 GLY H H 37 8.256 8.210 0.046 1
1 375 . 15 1 1 A 37 37 GLY CA C 37 45.471 46.675 -1.204 1
1 376 . 15 1 1 A 37 37 GLY HA3 H 37 3.933 3.767 0.166 1
1 377 . 15 1 1 A 37 37 GLY C C 37 174.315 175.339 -1.024 1
1 378 . 15 1 1 A 37 37 GLY HA2 H 37 4.037 3.756 0.281 1
1 379 . 15 1 1 A 38 38 GLU N N 38 120.671 121.587 -0.916 1
1 380 . 15 1 1 A 38 38 GLU H H 38 8.139 8.110 0.029 1
1 381 . 15 1 1 A 38 38 GLU CA C 38 56.638 58.364 -1.726 1
1 382 . 15 1 1 A 38 38 GLU HA H 38 4.271 4.248 0.023 1
1 383 . 15 1 1 A 38 38 GLU CB C 38 30.487 30.570 -0.083 1
1 387 . 15 1 1 A 38 38 GLU C C 38 176.506 177.090 -0.584 1
1 390 . 15 1 1 A 39 39 SER N N 39 116.808 115.282 1.526 1
1 391 . 15 1 1 A 39 39 SER H H 39 8.416 7.841 0.575 1
1 392 . 15 1 1 A 39 39 SER CA C 39 58.427 59.730 -1.303 1
1 393 . 15 1 1 A 39 39 SER HA H 39 4.440 4.356 0.084 1
1 394 . 15 1 1 A 39 39 SER CB C 39 64.030 64.230 -0.200 1
1 396 . 15 1 1 A 39 39 SER C C 39 174.564 174.733 -0.169 1
1 398 . 15 1 1 A 40 40 GLY N N 40 110.559 112.692 -2.133 1
1 399 . 15 1 1 A 40 40 GLY H H 40 8.236 8.663 -0.427 1
1 400 . 15 1 1 A 40 40 GLY CA C 40 44.652 47.166 -2.514 1
1 401 . 15 1 1 A 40 40 GLY HA3 H 40 4.045 3.919 0.126 1
1 402 . 15 1 1 A 40 40 GLY C C 40 171.663 174.515 -2.852 1
1 403 . 15 1 1 A 40 40 GLY HA2 H 40 4.139 3.918 0.221 1
1 404 . 15 1 1 A 41 41 PRO CA C 41 63.186 62.883 0.303 1
1 405 . 15 1 1 A 41 41 PRO HA H 41 4.459 4.577 -0.118 1
1 406 . 15 1 1 A 41 41 PRO CB C 41 32.141 31.802 0.339 1
1 412 . 15 1 1 A 41 41 PRO C C 41 177.354 177.547 -0.193 1
1 416 . 15 1 1 A 42 42 SER N N 42 116.533 119.944 -3.411 1
1 417 . 15 1 1 A 42 42 SER H H 42 8.540 8.770 -0.230 1
1 418 . 15 1 1 A 42 42 SER CA C 42 58.357 61.353 -2.996 1
1 419 . 15 1 1 A 42 42 SER HA H 42 4.458 4.167 0.291 1
1 420 . 15 1 1 A 42 42 SER CB C 42 63.799 62.811 0.988 1
1 422 . 15 1 1 A 42 42 SER C C 42 174.657 175.516 -0.859 1
1 424 . 15 1 1 A 43 43 SER N N 43 117.855 118.093 -0.238 1
1 425 . 15 1 1 A 43 43 SER H H 43 8.309 7.925 0.384 1
1 426 . 15 1 1 A 43 43 SER CA C 43 58.342 60.136 -1.794 1
1 427 . 15 1 1 A 43 43 SER HA H 43 4.451 4.221 0.230 1
1 428 . 15 1 1 A 43 43 SER CB C 43 64.100 63.525 0.575 1
1 430 . 15 1 1 A 43 43 SER C C 43 173.896 174.676 -0.780 1
1 1 . 16 1 1 A 7 7 GLY CA C 7 45.465 45.805 -0.340 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 4.004 4.015 -0.011 1
1 3 . 16 1 1 A 7 7 GLY C C 7 174.505 175.439 -0.934 1
1 4 . 16 1 1 A 7 7 GLY HA2 H 7 4.004 4.014 -0.010 1
1 5 . 16 1 1 A 8 8 THR N N 8 112.992 115.792 -2.800 1
1 6 . 16 1 1 A 8 8 THR H H 8 8.116 8.685 -0.569 1
1 7 . 16 1 1 A 8 8 THR CA C 8 62.003 61.336 0.667 1
1 8 . 16 1 1 A 8 8 THR HA H 8 4.339 4.518 -0.179 1
1 9 . 16 1 1 A 8 8 THR CB C 8 69.816 68.921 0.895 1
1 15 . 16 1 1 A 8 8 THR C C 8 175.226 174.196 1.030 1
1 16 . 16 1 1 A 9 9 GLY N N 9 110.864 109.301 1.563 1
1 17 . 16 1 1 A 9 9 GLY H H 9 8.444 7.763 0.681 1
1 18 . 16 1 1 A 9 9 GLY CA C 9 45.365 44.630 0.735 1
1 19 . 16 1 1 A 9 9 GLY HA3 H 9 3.928 4.058 -0.130 1
1 20 . 16 1 1 A 9 9 GLY C C 9 174.085 172.877 1.208 1
1 21 . 16 1 1 A 9 9 GLY HA2 H 9 3.928 4.057 -0.129 1
1 22 . 16 1 1 A 10 10 MET N N 10 119.413 123.727 -4.314 1
1 23 . 16 1 1 A 10 10 MET H H 10 8.136 8.608 -0.472 1
1 24 . 16 1 1 A 10 10 MET CA C 10 55.711 54.372 1.339 1
1 25 . 16 1 1 A 10 10 MET HA H 10 4.375 4.991 -0.616 1
1 26 . 16 1 1 A 10 10 MET CB C 10 32.785 34.850 -2.065 1
1 34 . 16 1 1 A 10 10 MET C C 10 176.047 175.159 0.888 1
1 37 . 16 1 1 A 11 11 LYS N N 11 122.314 125.741 -3.427 1
1 38 . 16 1 1 A 11 11 LYS H H 11 8.236 8.375 -0.139 1
1 39 . 16 1 1 A 11 11 LYS CA C 11 53.843 53.503 0.340 1
1 40 . 16 1 1 A 11 11 LYS HA H 11 4.511 5.045 -0.534 1
1 41 . 16 1 1 A 11 11 LYS CB C 11 32.984 33.192 -0.208 1
1 49 . 16 1 1 A 11 11 LYS C C 11 173.828 175.181 -1.353 1
1 54 . 16 1 1 A 12 12 PRO CA C 12 63.240 65.100 -1.860 1
1 55 . 16 1 1 A 12 12 PRO HA H 12 4.296 4.084 0.212 1
1 56 . 16 1 1 A 12 12 PRO CB C 12 32.231 31.209 1.022 1
1 62 . 16 1 1 A 12 12 PRO C C 12 176.278 176.172 0.106 1
1 66 . 16 1 1 A 13 13 TYR N N 13 119.354 115.520 3.834 1
1 67 . 16 1 1 A 13 13 TYR H H 13 7.989 8.062 -0.073 1
1 68 . 16 1 1 A 13 13 TYR CA C 13 57.665 57.402 0.263 1
1 69 . 16 1 1 A 13 13 TYR HA H 13 4.568 4.869 -0.301 1
1 70 . 16 1 1 A 13 13 TYR CB C 13 38.332 39.274 -0.942 1
1 80 . 16 1 1 A 13 13 TYR C C 13 174.439 175.482 -1.043 1
1 82 . 16 1 1 A 14 14 VAL N N 14 124.765 121.151 3.614 1
1 83 . 16 1 1 A 14 14 VAL H H 14 8.407 7.342 1.065 1
1 84 . 16 1 1 A 14 14 VAL CA C 14 61.341 62.772 -1.431 1
1 85 . 16 1 1 A 14 14 VAL HA H 14 4.583 4.371 0.212 1
1 86 . 16 1 1 A 14 14 VAL CB C 14 34.420 32.478 1.942 1
1 96 . 16 1 1 A 14 14 VAL C C 14 175.329 175.638 -0.309 1
1 97 . 16 1 1 A 15 15 CYS N N 15 128.696 126.550 2.146 1
1 98 . 16 1 1 A 15 15 CYS H H 15 9.225 9.084 0.141 1
1 99 . 16 1 1 A 15 15 CYS CA C 15 59.512 59.006 0.506 1
1 100 . 16 1 1 A 15 15 CYS HA H 15 4.512 4.570 -0.058 1
1 101 . 16 1 1 A 15 15 CYS CB C 15 29.777 28.051 1.726 1
1 103 . 16 1 1 A 15 15 CYS C C 15 176.992 175.967 1.025 1
1 105 . 16 1 1 A 16 16 ASN N N 16 130.445 126.253 4.192 1
1 106 . 16 1 1 A 16 16 ASN H H 16 9.373 8.938 0.435 1
1 107 . 16 1 1 A 16 16 ASN CA C 16 55.598 55.153 0.445 1
1 108 . 16 1 1 A 16 16 ASN HA H 16 4.521 4.610 -0.089 1
1 109 . 16 1 1 A 16 16 ASN CB C 16 38.593 38.142 0.451 1
1 114 . 16 1 1 A 16 16 ASN C C 16 175.261 176.514 -1.253 1
1 116 . 16 1 1 A 17 17 GLU N N 17 120.657 118.075 2.582 1
1 117 . 16 1 1 A 17 17 GLU H H 17 8.766 7.922 0.844 1
1 118 . 16 1 1 A 17 17 GLU CA C 17 58.253 58.524 -0.271 1
1 119 . 16 1 1 A 17 17 GLU HA H 17 4.225 4.209 0.016 1
1 120 . 16 1 1 A 17 17 GLU CB C 17 29.552 30.341 -0.789 1
1 124 . 16 1 1 A 17 17 GLU C C 17 177.171 178.124 -0.953 1
1 127 . 16 1 1 A 18 18 CYS N N 18 114.840 115.199 -0.359 1
1 128 . 16 1 1 A 18 18 CYS H H 18 8.023 8.036 -0.013 1
1 129 . 16 1 1 A 18 18 CYS CA C 18 58.322 59.267 -0.945 1
1 130 . 16 1 1 A 18 18 CYS HA H 18 5.169 4.699 0.470 1
1 131 . 16 1 1 A 18 18 CYS CB C 18 32.619 30.274 2.345 1
1 133 . 16 1 1 A 18 18 CYS C C 18 176.373 175.648 0.725 1
1 135 . 16 1 1 A 19 19 GLY N N 19 113.504 110.211 3.293 1
1 136 . 16 1 1 A 19 19 GLY H H 19 8.164 8.431 -0.267 1
1 137 . 16 1 1 A 19 19 GLY CA C 19 46.263 45.029 1.234 1
1 138 . 16 1 1 A 19 19 GLY HA3 H 19 4.177 4.044 0.133 1
1 139 . 16 1 1 A 19 19 GLY C C 19 173.670 174.427 -0.757 1
1 140 . 16 1 1 A 19 19 GLY HA2 H 19 3.743 4.039 -0.296 1
1 141 . 16 1 1 A 20 20 LYS N N 20 122.939 122.543 0.396 1
1 142 . 16 1 1 A 20 20 LYS H H 20 7.950 7.526 0.424 1
1 143 . 16 1 1 A 20 20 LYS CA C 20 58.169 56.419 1.750 1
1 144 . 16 1 1 A 20 20 LYS HA H 20 3.947 4.107 -0.160 1
1 145 . 16 1 1 A 20 20 LYS CB C 20 33.712 32.887 0.825 1
1 153 . 16 1 1 A 20 20 LYS C C 20 173.404 175.944 -2.540 1
1 158 . 16 1 1 A 21 21 ALA N N 21 123.614 129.687 -6.073 1
1 159 . 16 1 1 A 21 21 ALA H H 21 7.752 8.405 -0.653 1
1 160 . 16 1 1 A 21 21 ALA CA C 21 50.174 50.877 -0.703 1
1 161 . 16 1 1 A 21 21 ALA HA H 21 5.114 5.223 -0.109 1
1 162 . 16 1 1 A 21 21 ALA CB C 21 22.563 20.757 1.806 1
1 166 . 16 1 1 A 21 21 ALA C C 21 176.523 176.833 -0.310 1
1 167 . 16 1 1 A 22 22 PHE N N 22 116.849 119.195 -2.346 1
1 168 . 16 1 1 A 22 22 PHE H H 22 8.926 9.053 -0.127 1
1 169 . 16 1 1 A 22 22 PHE CA C 22 57.347 57.092 0.255 1
1 170 . 16 1 1 A 22 22 PHE HA H 22 4.736 5.012 -0.276 1
1 171 . 16 1 1 A 22 22 PHE CB C 22 44.094 43.280 0.814 1
1 183 . 16 1 1 A 22 22 PHE C C 22 176.070 175.898 0.172 1
1 185 . 16 1 1 A 23 23 ARG N N 23 118.853 119.517 -0.664 1
1 186 . 16 1 1 A 23 23 ARG H H 23 9.278 8.850 0.428 1
1 187 . 16 1 1 A 23 23 ARG CA C 23 57.758 57.069 0.689 1
1 188 . 16 1 1 A 23 23 ARG HA H 23 4.507 4.286 0.221 1
1 189 . 16 1 1 A 23 23 ARG CB C 23 31.163 31.284 -0.121 1
1 195 . 16 1 1 A 23 23 ARG C C 23 175.555 175.796 -0.241 1
1 199 . 16 1 1 A 24 24 SER N N 24 109.867 113.932 -4.065 1
1 200 . 16 1 1 A 24 24 SER H H 24 7.445 7.614 -0.169 1
1 201 . 16 1 1 A 24 24 SER CA C 24 55.916 56.165 -0.249 1
1 202 . 16 1 1 A 24 24 SER HA H 24 4.716 3.709 1.007 1
1 203 . 16 1 1 A 24 24 SER CB C 24 66.155 65.188 0.967 1
1 205 . 16 1 1 A 24 24 SER C C 24 173.335 174.125 -0.790 1
1 207 . 16 1 1 A 25 25 LYS N N 25 125.390 124.633 0.757 1
1 208 . 16 1 1 A 25 25 LYS H H 25 8.308 8.824 -0.516 1
1 209 . 16 1 1 A 25 25 LYS CA C 25 59.004 59.199 -0.195 1
1 210 . 16 1 1 A 25 25 LYS HA H 25 3.212 4.141 -0.929 1
1 211 . 16 1 1 A 25 25 LYS CB C 25 31.811 32.246 -0.435 1
1 219 . 16 1 1 A 25 25 LYS C C 25 178.128 178.568 -0.440 1
1 224 . 16 1 1 A 26 26 SER N N 26 113.087 114.461 -1.374 1
1 225 . 16 1 1 A 26 26 SER H H 26 8.198 7.525 0.673 1
1 226 . 16 1 1 A 26 26 SER CA C 26 61.434 60.613 0.821 1
1 227 . 16 1 1 A 26 26 SER HA H 26 3.944 4.289 -0.345 1
1 228 . 16 1 1 A 26 26 SER CB C 26 61.936 62.853 -0.917 1
1 230 . 16 1 1 A 26 26 SER C C 26 176.875 176.210 0.665 1
1 232 . 16 1 1 A 27 27 TYR N N 27 119.500 122.870 -3.370 1
1 233 . 16 1 1 A 27 27 TYR H H 27 7.262 7.851 -0.589 1
1 234 . 16 1 1 A 27 27 TYR CA C 27 59.906 60.385 -0.479 1
1 235 . 16 1 1 A 27 27 TYR HA H 27 4.245 4.152 0.093 1
1 236 . 16 1 1 A 27 27 TYR CB C 27 37.518 39.018 -1.500 1
1 246 . 16 1 1 A 27 27 TYR C C 27 178.410 177.538 0.872 1
1 248 . 16 1 1 A 28 28 LEU N N 28 122.215 119.826 2.389 1
1 249 . 16 1 1 A 28 28 LEU H H 28 7.340 7.921 -0.581 1
1 250 . 16 1 1 A 28 28 LEU CA C 28 58.160 56.401 1.759 1
1 251 . 16 1 1 A 28 28 LEU HA H 28 3.372 2.547 0.825 1
1 252 . 16 1 1 A 28 28 LEU CB C 28 40.641 41.750 -1.109 1
1 264 . 16 1 1 A 28 28 LEU C C 28 178.010 178.337 -0.327 1
1 266 . 16 1 1 A 29 29 ILE N N 29 121.146 118.651 2.495 1
1 267 . 16 1 1 A 29 29 ILE H H 29 8.364 8.193 0.171 1
1 268 . 16 1 1 A 29 29 ILE CA C 29 65.133 65.100 0.033 1
1 269 . 16 1 1 A 29 29 ILE HA H 29 3.650 3.530 0.120 1
1 270 . 16 1 1 A 29 29 ILE CB C 29 37.476 37.536 -0.060 1
1 282 . 16 1 1 A 29 29 ILE C C 29 179.053 178.225 0.828 1
1 284 . 16 1 1 A 30 30 ILE N N 30 119.869 117.074 2.795 1
1 285 . 16 1 1 A 30 30 ILE H H 30 7.447 7.689 -0.242 1
1 286 . 16 1 1 A 30 30 ILE CA C 30 65.067 63.474 1.593 1
1 287 . 16 1 1 A 30 30 ILE HA H 30 3.513 3.937 -0.424 1
1 288 . 16 1 1 A 30 30 ILE CB C 30 38.321 37.362 0.959 1
1 300 . 16 1 1 A 30 30 ILE C C 30 178.755 177.774 0.981 1
1 302 . 16 1 1 A 31 31 HIS N N 31 119.137 121.876 -2.739 1
1 303 . 16 1 1 A 31 31 HIS H H 31 7.717 7.838 -0.121 1
1 304 . 16 1 1 A 31 31 HIS CA C 31 59.468 59.102 0.366 1
1 305 . 16 1 1 A 31 31 HIS HA H 31 4.231 4.240 -0.009 1
1 306 . 16 1 1 A 31 31 HIS CB C 31 28.172 30.304 -2.132 1
1 312 . 16 1 1 A 31 31 HIS C C 31 178.382 177.203 1.179 1
1 314 . 16 1 1 A 32 32 THR N N 32 116.707 115.432 1.275 1
1 315 . 16 1 1 A 32 32 THR H H 32 9.007 8.697 0.310 1
1 316 . 16 1 1 A 32 32 THR CA C 32 66.925 67.057 -0.132 1
1 317 . 16 1 1 A 32 32 THR HA H 32 3.710 4.212 -0.502 1
1 318 . 16 1 1 A 32 32 THR CB C 32 69.079 68.716 0.363 1
1 324 . 16 1 1 A 32 32 THR C C 32 176.003 177.021 -1.018 1
1 325 . 16 1 1 A 33 33 ARG N N 33 119.936 120.234 -0.298 1
1 326 . 16 1 1 A 33 33 ARG H H 33 7.256 7.819 -0.563 1
1 327 . 16 1 1 A 33 33 ARG CA C 33 58.571 58.511 0.060 1
1 328 . 16 1 1 A 33 33 ARG HA H 33 4.219 4.132 0.087 1
1 329 . 16 1 1 A 33 33 ARG CB C 33 29.786 30.308 -0.522 1
1 335 . 16 1 1 A 33 33 ARG C C 33 178.241 177.739 0.502 1
1 339 . 16 1 1 A 34 34 THR N N 34 109.982 111.000 -1.018 1
1 340 . 16 1 1 A 34 34 THR H H 34 7.821 8.177 -0.356 1
1 341 . 16 1 1 A 34 34 THR CA C 34 64.062 64.823 -0.761 1
1 342 . 16 1 1 A 34 34 THR HA H 34 4.111 4.086 0.025 1
1 343 . 16 1 1 A 34 34 THR CB C 34 69.241 68.097 1.144 1
1 349 . 16 1 1 A 34 34 THR C C 34 175.691 175.623 0.068 1
1 350 . 16 1 1 A 35 35 HIS N N 35 118.562 119.014 -0.452 1
1 351 . 16 1 1 A 35 35 HIS H H 35 7.303 8.186 -0.883 1
1 352 . 16 1 1 A 35 35 HIS CA C 35 55.753 56.736 -0.983 1
1 353 . 16 1 1 A 35 35 HIS HA H 35 4.833 4.606 0.227 1
1 354 . 16 1 1 A 35 35 HIS CB C 35 28.760 29.021 -0.261 1
1 360 . 16 1 1 A 35 35 HIS C C 35 175.857 175.723 0.134 1
1 362 . 16 1 1 A 36 36 THR N N 36 111.405 113.636 -2.231 1
1 363 . 16 1 1 A 36 36 THR H H 36 7.836 7.819 0.017 1
1 364 . 16 1 1 A 36 36 THR CA C 36 62.358 63.768 -1.410 1
1 365 . 16 1 1 A 36 36 THR HA H 36 4.359 4.181 0.178 1
1 366 . 16 1 1 A 36 36 THR CB C 36 69.861 70.088 -0.227 1
1 372 . 16 1 1 A 36 36 THR C C 36 175.557 174.160 1.397 1
1 373 . 16 1 1 A 37 37 GLY N N 37 110.788 108.271 2.517 1
1 374 . 16 1 1 A 37 37 GLY H H 37 8.256 7.661 0.595 1
1 375 . 16 1 1 A 37 37 GLY CA C 37 45.471 44.869 0.602 1
1 376 . 16 1 1 A 37 37 GLY HA3 H 37 3.933 4.201 -0.268 1
1 377 . 16 1 1 A 37 37 GLY C C 37 174.315 172.107 2.208 1
1 378 . 16 1 1 A 37 37 GLY HA2 H 37 4.037 4.192 -0.155 1
1 379 . 16 1 1 A 38 38 GLU N N 38 120.671 124.622 -3.951 1
1 380 . 16 1 1 A 38 38 GLU H H 38 8.139 8.282 -0.143 1
1 381 . 16 1 1 A 38 38 GLU CA C 38 56.638 54.220 2.418 1
1 382 . 16 1 1 A 38 38 GLU HA H 38 4.271 4.925 -0.654 1
1 383 . 16 1 1 A 38 38 GLU CB C 38 30.487 33.332 -2.845 1
1 387 . 16 1 1 A 38 38 GLU C C 38 176.506 176.935 -0.429 1
1 390 . 16 1 1 A 39 39 SER N N 39 116.808 117.543 -0.735 1
1 391 . 16 1 1 A 39 39 SER H H 39 8.416 8.581 -0.165 1
1 392 . 16 1 1 A 39 39 SER CA C 39 58.427 62.011 -3.584 1
1 393 . 16 1 1 A 39 39 SER HA H 39 4.440 4.175 0.265 1
1 394 . 16 1 1 A 39 39 SER CB C 39 64.030 63.159 0.871 1
1 396 . 16 1 1 A 39 39 SER C C 39 174.564 174.618 -0.054 1
1 398 . 16 1 1 A 40 40 GLY N N 40 110.559 108.100 2.459 1
1 399 . 16 1 1 A 40 40 GLY H H 40 8.236 7.434 0.802 1
1 400 . 16 1 1 A 40 40 GLY CA C 40 44.652 46.027 -1.375 1
1 401 . 16 1 1 A 40 40 GLY HA3 H 40 4.045 4.091 -0.046 1
1 402 . 16 1 1 A 40 40 GLY C C 40 171.663 172.026 -0.363 1
1 403 . 16 1 1 A 40 40 GLY HA2 H 40 4.139 4.090 0.049 1
1 404 . 16 1 1 A 41 41 PRO CA C 41 63.186 62.604 0.582 1
1 405 . 16 1 1 A 41 41 PRO HA H 41 4.459 4.572 -0.113 1
1 406 . 16 1 1 A 41 41 PRO CB C 41 32.141 33.320 -1.179 1
1 412 . 16 1 1 A 41 41 PRO C C 41 177.354 176.537 0.817 1
1 416 . 16 1 1 A 42 42 SER N N 42 116.533 116.253 0.280 1
1 417 . 16 1 1 A 42 42 SER H H 42 8.540 8.831 -0.291 1
1 418 . 16 1 1 A 42 42 SER CA C 42 58.357 59.259 -0.902 1
1 419 . 16 1 1 A 42 42 SER HA H 42 4.458 4.711 -0.253 1
1 420 . 16 1 1 A 42 42 SER CB C 42 63.799 65.519 -1.720 1
1 422 . 16 1 1 A 42 42 SER C C 42 174.657 175.380 -0.723 1
1 424 . 16 1 1 A 43 43 SER N N 43 117.855 115.726 2.129 1
1 425 . 16 1 1 A 43 43 SER H H 43 8.309 8.455 -0.146 1
1 426 . 16 1 1 A 43 43 SER CA C 43 58.342 61.476 -3.134 1
1 427 . 16 1 1 A 43 43 SER HA H 43 4.451 4.398 0.053 1
1 428 . 16 1 1 A 43 43 SER CB C 43 64.100 63.539 0.561 1
1 430 . 16 1 1 A 43 43 SER C C 43 173.896 174.852 -0.956 1
1 1 . 17 1 1 A 7 7 GLY CA C 7 45.465 44.517 0.948 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 4.004 4.093 -0.089 1
1 3 . 17 1 1 A 7 7 GLY C C 7 174.505 171.921 2.584 1
1 4 . 17 1 1 A 7 7 GLY HA2 H 7 4.004 4.093 -0.089 1
1 5 . 17 1 1 A 8 8 THR N N 8 112.992 114.247 -1.255 1
1 6 . 17 1 1 A 8 8 THR H H 8 8.116 8.296 -0.180 1
1 7 . 17 1 1 A 8 8 THR CA C 8 62.003 60.856 1.147 1
1 8 . 17 1 1 A 8 8 THR HA H 8 4.339 5.043 -0.704 1
1 9 . 17 1 1 A 8 8 THR CB C 8 69.816 72.583 -2.767 1
1 15 . 17 1 1 A 8 8 THR C C 8 175.226 173.951 1.275 1
1 16 . 17 1 1 A 9 9 GLY N N 9 110.864 111.679 -0.815 1
1 17 . 17 1 1 A 9 9 GLY H H 9 8.444 8.392 0.052 1
1 18 . 17 1 1 A 9 9 GLY CA C 9 45.365 45.867 -0.502 1
1 19 . 17 1 1 A 9 9 GLY HA3 H 9 3.928 3.972 -0.044 1
1 20 . 17 1 1 A 9 9 GLY C C 9 174.085 174.638 -0.553 1
1 21 . 17 1 1 A 9 9 GLY HA2 H 9 3.928 3.970 -0.042 1
1 22 . 17 1 1 A 10 10 MET N N 10 119.413 120.837 -1.424 1
1 23 . 17 1 1 A 10 10 MET H H 10 8.136 8.176 -0.040 1
1 24 . 17 1 1 A 10 10 MET CA C 10 55.711 56.506 -0.795 1
1 25 . 17 1 1 A 10 10 MET HA H 10 4.375 4.352 0.023 1
1 26 . 17 1 1 A 10 10 MET CB C 10 32.785 33.161 -0.376 1
1 34 . 17 1 1 A 10 10 MET C C 10 176.047 175.527 0.520 1
1 37 . 17 1 1 A 11 11 LYS N N 11 122.314 124.937 -2.623 1
1 38 . 17 1 1 A 11 11 LYS H H 11 8.236 8.718 -0.482 1
1 39 . 17 1 1 A 11 11 LYS CA C 11 53.843 53.606 0.237 1
1 40 . 17 1 1 A 11 11 LYS HA H 11 4.511 4.649 -0.138 1
1 41 . 17 1 1 A 11 11 LYS CB C 11 32.984 32.001 0.983 1
1 49 . 17 1 1 A 11 11 LYS C C 11 173.828 176.365 -2.537 1
1 54 . 17 1 1 A 12 12 PRO CA C 12 63.240 65.644 -2.404 1
1 55 . 17 1 1 A 12 12 PRO HA H 12 4.296 4.143 0.153 1
1 56 . 17 1 1 A 12 12 PRO CB C 12 32.231 31.135 1.096 1
1 62 . 17 1 1 A 12 12 PRO C C 12 176.278 177.232 -0.954 1
1 66 . 17 1 1 A 13 13 TYR N N 13 119.354 117.044 2.310 1
1 67 . 17 1 1 A 13 13 TYR H H 13 7.989 8.235 -0.246 1
1 68 . 17 1 1 A 13 13 TYR CA C 13 57.665 57.579 0.086 1
1 69 . 17 1 1 A 13 13 TYR HA H 13 4.568 4.769 -0.201 1
1 70 . 17 1 1 A 13 13 TYR CB C 13 38.332 38.859 -0.527 1
1 80 . 17 1 1 A 13 13 TYR C C 13 174.439 175.997 -1.558 1
1 82 . 17 1 1 A 14 14 VAL N N 14 124.765 120.878 3.887 1
1 83 . 17 1 1 A 14 14 VAL H H 14 8.407 7.364 1.043 1
1 84 . 17 1 1 A 14 14 VAL CA C 14 61.341 62.834 -1.493 1
1 85 . 17 1 1 A 14 14 VAL HA H 14 4.583 4.368 0.215 1
1 86 . 17 1 1 A 14 14 VAL CB C 14 34.420 32.317 2.103 1
1 96 . 17 1 1 A 14 14 VAL C C 14 175.329 175.999 -0.670 1
1 97 . 17 1 1 A 15 15 CYS N N 15 128.696 127.353 1.343 1
1 98 . 17 1 1 A 15 15 CYS H H 15 9.225 9.213 0.012 1
1 99 . 17 1 1 A 15 15 CYS CA C 15 59.512 60.022 -0.510 1
1 100 . 17 1 1 A 15 15 CYS HA H 15 4.512 4.529 -0.017 1
1 101 . 17 1 1 A 15 15 CYS CB C 15 29.777 28.952 0.825 1
1 103 . 17 1 1 A 15 15 CYS C C 15 176.992 176.046 0.946 1
1 105 . 17 1 1 A 16 16 ASN N N 16 130.445 126.429 4.016 1
1 106 . 17 1 1 A 16 16 ASN H H 16 9.373 9.098 0.275 1
1 107 . 17 1 1 A 16 16 ASN CA C 16 55.598 53.469 2.129 1
1 108 . 17 1 1 A 16 16 ASN HA H 16 4.521 4.926 -0.405 1
1 109 . 17 1 1 A 16 16 ASN CB C 16 38.593 38.795 -0.202 1
1 114 . 17 1 1 A 16 16 ASN C C 16 175.261 175.723 -0.462 1
1 116 . 17 1 1 A 17 17 GLU N N 17 120.657 117.460 3.197 1
1 117 . 17 1 1 A 17 17 GLU H H 17 8.766 8.030 0.736 1
1 118 . 17 1 1 A 17 17 GLU CA C 17 58.253 57.218 1.035 1
1 119 . 17 1 1 A 17 17 GLU HA H 17 4.225 4.506 -0.281 1
1 120 . 17 1 1 A 17 17 GLU CB C 17 29.552 32.378 -2.826 1
1 124 . 17 1 1 A 17 17 GLU C C 17 177.171 177.847 -0.676 1
1 127 . 17 1 1 A 18 18 CYS N N 18 114.840 115.028 -0.188 1
1 128 . 17 1 1 A 18 18 CYS H H 18 8.023 8.171 -0.148 1
1 129 . 17 1 1 A 18 18 CYS CA C 18 58.322 59.502 -1.180 1
1 130 . 17 1 1 A 18 18 CYS HA H 18 5.169 4.735 0.434 1
1 131 . 17 1 1 A 18 18 CYS CB C 18 32.619 30.360 2.259 1
1 133 . 17 1 1 A 18 18 CYS C C 18 176.373 175.677 0.696 1
1 135 . 17 1 1 A 19 19 GLY N N 19 113.504 110.103 3.401 1
1 136 . 17 1 1 A 19 19 GLY H H 19 8.164 8.197 -0.033 1
1 137 . 17 1 1 A 19 19 GLY CA C 19 46.263 45.069 1.194 1
1 138 . 17 1 1 A 19 19 GLY HA3 H 19 4.177 4.060 0.117 1
1 139 . 17 1 1 A 19 19 GLY C C 19 173.670 174.475 -0.805 1
1 140 . 17 1 1 A 19 19 GLY HA2 H 19 3.743 4.051 -0.308 1
1 141 . 17 1 1 A 20 20 LYS N N 20 122.939 122.671 0.268 1
1 142 . 17 1 1 A 20 20 LYS H H 20 7.950 7.604 0.346 1
1 143 . 17 1 1 A 20 20 LYS CA C 20 58.169 56.284 1.885 1
1 144 . 17 1 1 A 20 20 LYS HA H 20 3.947 4.122 -0.175 1
1 145 . 17 1 1 A 20 20 LYS CB C 20 33.712 32.749 0.963 1
1 153 . 17 1 1 A 20 20 LYS C C 20 173.404 175.943 -2.539 1
1 158 . 17 1 1 A 21 21 ALA N N 21 123.614 129.655 -6.041 1
1 159 . 17 1 1 A 21 21 ALA H H 21 7.752 8.279 -0.527 1
1 160 . 17 1 1 A 21 21 ALA CA C 21 50.174 51.198 -1.024 1
1 161 . 17 1 1 A 21 21 ALA HA H 21 5.114 5.007 0.107 1
1 162 . 17 1 1 A 21 21 ALA CB C 21 22.563 20.657 1.906 1
1 166 . 17 1 1 A 21 21 ALA C C 21 176.523 176.514 0.009 1
1 167 . 17 1 1 A 22 22 PHE N N 22 116.849 117.584 -0.735 1
1 168 . 17 1 1 A 22 22 PHE H H 22 8.926 8.860 0.066 1
1 169 . 17 1 1 A 22 22 PHE CA C 22 57.347 56.878 0.469 1
1 170 . 17 1 1 A 22 22 PHE HA H 22 4.736 4.804 -0.068 1
1 171 . 17 1 1 A 22 22 PHE CB C 22 44.094 43.669 0.425 1
1 183 . 17 1 1 A 22 22 PHE C C 22 176.070 175.378 0.692 1
1 185 . 17 1 1 A 23 23 ARG N N 23 118.853 118.768 0.085 1
1 186 . 17 1 1 A 23 23 ARG H H 23 9.278 8.427 0.851 1
1 187 . 17 1 1 A 23 23 ARG CA C 23 57.758 56.456 1.302 1
1 188 . 17 1 1 A 23 23 ARG HA H 23 4.507 4.308 0.199 1
1 189 . 17 1 1 A 23 23 ARG CB C 23 31.163 31.720 -0.557 1
1 195 . 17 1 1 A 23 23 ARG C C 23 175.555 175.922 -0.367 1
1 199 . 17 1 1 A 24 24 SER N N 24 109.867 114.593 -4.726 1
1 200 . 17 1 1 A 24 24 SER H H 24 7.445 7.906 -0.461 1
1 201 . 17 1 1 A 24 24 SER CA C 24 55.916 57.297 -1.381 1
1 202 . 17 1 1 A 24 24 SER HA H 24 4.716 4.641 0.075 1
1 203 . 17 1 1 A 24 24 SER CB C 24 66.155 65.942 0.213 1
1 205 . 17 1 1 A 24 24 SER C C 24 173.335 174.469 -1.134 1
1 207 . 17 1 1 A 25 25 LYS N N 25 125.390 125.822 -0.432 1
1 208 . 17 1 1 A 25 25 LYS H H 25 8.308 9.005 -0.697 1
1 209 . 17 1 1 A 25 25 LYS CA C 25 59.004 59.401 -0.397 1
1 210 . 17 1 1 A 25 25 LYS HA H 25 3.212 4.185 -0.973 1
1 211 . 17 1 1 A 25 25 LYS CB C 25 31.811 32.285 -0.474 1
1 219 . 17 1 1 A 25 25 LYS C C 25 178.128 177.616 0.512 1
1 224 . 17 1 1 A 26 26 SER N N 26 113.087 114.520 -1.433 1
1 225 . 17 1 1 A 26 26 SER H H 26 8.198 8.021 0.177 1
1 226 . 17 1 1 A 26 26 SER CA C 26 61.434 60.691 0.743 1
1 227 . 17 1 1 A 26 26 SER HA H 26 3.944 4.234 -0.290 1
1 228 . 17 1 1 A 26 26 SER CB C 26 61.936 63.051 -1.115 1
1 230 . 17 1 1 A 26 26 SER C C 26 176.875 176.452 0.423 1
1 232 . 17 1 1 A 27 27 TYR N N 27 119.500 122.858 -3.358 1
1 233 . 17 1 1 A 27 27 TYR H H 27 7.262 7.811 -0.549 1
1 234 . 17 1 1 A 27 27 TYR CA C 27 59.906 60.562 -0.656 1
1 235 . 17 1 1 A 27 27 TYR HA H 27 4.245 4.158 0.087 1
1 236 . 17 1 1 A 27 27 TYR CB C 27 37.518 38.839 -1.321 1
1 246 . 17 1 1 A 27 27 TYR C C 27 178.410 177.222 1.188 1
1 248 . 17 1 1 A 28 28 LEU N N 28 122.215 120.244 1.971 1
1 249 . 17 1 1 A 28 28 LEU H H 28 7.340 7.500 -0.160 1
1 250 . 17 1 1 A 28 28 LEU CA C 28 58.160 57.112 1.048 1
1 251 . 17 1 1 A 28 28 LEU HA H 28 3.372 2.899 0.473 1
1 252 . 17 1 1 A 28 28 LEU CB C 28 40.641 41.738 -1.097 1
1 264 . 17 1 1 A 28 28 LEU C C 28 178.010 178.186 -0.176 1
1 266 . 17 1 1 A 29 29 ILE N N 29 121.146 119.371 1.775 1
1 267 . 17 1 1 A 29 29 ILE H H 29 8.364 7.953 0.411 1
1 268 . 17 1 1 A 29 29 ILE CA C 29 65.133 65.402 -0.269 1
1 269 . 17 1 1 A 29 29 ILE HA H 29 3.650 3.520 0.130 1
1 270 . 17 1 1 A 29 29 ILE CB C 29 37.476 37.760 -0.284 1
1 282 . 17 1 1 A 29 29 ILE C C 29 179.053 178.329 0.724 1
1 284 . 17 1 1 A 30 30 ILE N N 30 119.869 117.110 2.759 1
1 285 . 17 1 1 A 30 30 ILE H H 30 7.447 7.358 0.089 1
1 286 . 17 1 1 A 30 30 ILE CA C 30 65.067 63.292 1.775 1
1 287 . 17 1 1 A 30 30 ILE HA H 30 3.513 3.998 -0.485 1
1 288 . 17 1 1 A 30 30 ILE CB C 30 38.321 37.408 0.913 1
1 300 . 17 1 1 A 30 30 ILE C C 30 178.755 177.667 1.088 1
1 302 . 17 1 1 A 31 31 HIS N N 31 119.137 121.859 -2.722 1
1 303 . 17 1 1 A 31 31 HIS H H 31 7.717 7.948 -0.231 1
1 304 . 17 1 1 A 31 31 HIS CA C 31 59.468 58.973 0.495 1
1 305 . 17 1 1 A 31 31 HIS HA H 31 4.231 4.317 -0.086 1
1 306 . 17 1 1 A 31 31 HIS CB C 31 28.172 30.246 -2.074 1
1 312 . 17 1 1 A 31 31 HIS C C 31 178.382 177.219 1.163 1
1 314 . 17 1 1 A 32 32 THR N N 32 116.707 114.983 1.724 1
1 315 . 17 1 1 A 32 32 THR H H 32 9.007 8.766 0.241 1
1 316 . 17 1 1 A 32 32 THR CA C 32 66.925 66.323 0.602 1
1 317 . 17 1 1 A 32 32 THR HA H 32 3.710 4.343 -0.633 1
1 318 . 17 1 1 A 32 32 THR CB C 32 69.079 68.730 0.349 1
1 324 . 17 1 1 A 32 32 THR C C 32 176.003 176.365 -0.362 1
1 325 . 17 1 1 A 33 33 ARG N N 33 119.936 120.685 -0.749 1
1 326 . 17 1 1 A 33 33 ARG H H 33 7.256 8.273 -1.017 1
1 327 . 17 1 1 A 33 33 ARG CA C 33 58.571 58.730 -0.159 1
1 328 . 17 1 1 A 33 33 ARG HA H 33 4.219 4.150 0.069 1
1 329 . 17 1 1 A 33 33 ARG CB C 33 29.786 30.127 -0.341 1
1 335 . 17 1 1 A 33 33 ARG C C 33 178.241 178.683 -0.442 1
1 339 . 17 1 1 A 34 34 THR N N 34 109.982 115.111 -5.129 1
1 340 . 17 1 1 A 34 34 THR H H 34 7.821 8.308 -0.487 1
1 341 . 17 1 1 A 34 34 THR CA C 34 64.062 64.928 -0.866 1
1 342 . 17 1 1 A 34 34 THR HA H 34 4.111 4.008 0.103 1
1 343 . 17 1 1 A 34 34 THR CB C 34 69.241 68.440 0.801 1
1 349 . 17 1 1 A 34 34 THR C C 34 175.691 176.533 -0.842 1
1 350 . 17 1 1 A 35 35 HIS N N 35 118.562 118.957 -0.395 1
1 351 . 17 1 1 A 35 35 HIS H H 35 7.303 7.428 -0.125 1
1 352 . 17 1 1 A 35 35 HIS CA C 35 55.753 58.304 -2.551 1
1 353 . 17 1 1 A 35 35 HIS HA H 35 4.833 4.446 0.387 1
1 354 . 17 1 1 A 35 35 HIS CB C 35 28.760 29.468 -0.708 1
1 360 . 17 1 1 A 35 35 HIS C C 35 175.857 176.164 -0.307 1
1 362 . 17 1 1 A 36 36 THR N N 36 111.405 109.522 1.883 1
1 363 . 17 1 1 A 36 36 THR H H 36 7.836 7.742 0.094 1
1 364 . 17 1 1 A 36 36 THR CA C 36 62.358 61.293 1.065 1
1 365 . 17 1 1 A 36 36 THR HA H 36 4.359 4.304 0.055 1
1 366 . 17 1 1 A 36 36 THR CB C 36 69.861 68.971 0.890 1
1 372 . 17 1 1 A 36 36 THR C C 36 175.557 174.398 1.159 1
1 373 . 17 1 1 A 37 37 GLY N N 37 110.788 109.969 0.819 1
1 374 . 17 1 1 A 37 37 GLY H H 37 8.256 7.540 0.716 1
1 375 . 17 1 1 A 37 37 GLY CA C 37 45.471 45.530 -0.059 1
1 376 . 17 1 1 A 37 37 GLY HA3 H 37 3.933 3.958 -0.025 1
1 377 . 17 1 1 A 37 37 GLY C C 37 174.315 174.484 -0.169 1
1 378 . 17 1 1 A 37 37 GLY HA2 H 37 4.037 3.949 0.088 1
1 379 . 17 1 1 A 38 38 GLU N N 38 120.671 122.352 -1.681 1
1 380 . 17 1 1 A 38 38 GLU H H 38 8.139 7.983 0.156 1
1 381 . 17 1 1 A 38 38 GLU CA C 38 56.638 59.310 -2.672 1
1 382 . 17 1 1 A 38 38 GLU HA H 38 4.271 4.055 0.216 1
1 383 . 17 1 1 A 38 38 GLU CB C 38 30.487 29.158 1.329 1
1 387 . 17 1 1 A 38 38 GLU C C 38 176.506 178.939 -2.433 1
1 390 . 17 1 1 A 39 39 SER N N 39 116.808 115.072 1.736 1
1 391 . 17 1 1 A 39 39 SER H H 39 8.416 7.859 0.557 1
1 392 . 17 1 1 A 39 39 SER CA C 39 58.427 62.086 -3.659 1
1 393 . 17 1 1 A 39 39 SER HA H 39 4.440 4.425 0.015 1
1 394 . 17 1 1 A 39 39 SER CB C 39 64.030 63.539 0.491 1
1 396 . 17 1 1 A 39 39 SER C C 39 174.564 175.752 -1.188 1
1 398 . 17 1 1 A 40 40 GLY N N 40 110.559 108.294 2.265 1
1 399 . 17 1 1 A 40 40 GLY H H 40 8.236 7.525 0.711 1
1 400 . 17 1 1 A 40 40 GLY CA C 40 44.652 45.230 -0.578 1
1 401 . 17 1 1 A 40 40 GLY HA3 H 40 4.045 4.005 0.040 1
1 402 . 17 1 1 A 40 40 GLY C C 40 171.663 173.507 -1.844 1
1 403 . 17 1 1 A 40 40 GLY HA2 H 40 4.139 4.002 0.137 1
1 404 . 17 1 1 A 41 41 PRO CA C 41 63.186 62.599 0.587 1
1 405 . 17 1 1 A 41 41 PRO HA H 41 4.459 4.712 -0.253 1
1 406 . 17 1 1 A 41 41 PRO CB C 41 32.141 31.200 0.941 1
1 412 . 17 1 1 A 41 41 PRO C C 41 177.354 175.220 2.134 1
1 416 . 17 1 1 A 42 42 SER N N 42 116.533 119.381 -2.848 1
1 417 . 17 1 1 A 42 42 SER H H 42 8.540 8.732 -0.192 1
1 418 . 17 1 1 A 42 42 SER CA C 42 58.357 56.922 1.435 1
1 419 . 17 1 1 A 42 42 SER HA H 42 4.458 5.054 -0.596 1
1 420 . 17 1 1 A 42 42 SER CB C 42 63.799 64.740 -0.941 1
1 422 . 17 1 1 A 42 42 SER C C 42 174.657 173.823 0.834 1
1 424 . 17 1 1 A 43 43 SER N N 43 117.855 120.076 -2.221 1
1 425 . 17 1 1 A 43 43 SER H H 43 8.309 8.886 -0.577 1
1 426 . 17 1 1 A 43 43 SER CA C 43 58.342 59.636 -1.294 1
1 427 . 17 1 1 A 43 43 SER HA H 43 4.451 4.521 -0.070 1
1 428 . 17 1 1 A 43 43 SER CB C 43 64.100 64.433 -0.333 1
1 430 . 17 1 1 A 43 43 SER C C 43 173.896 173.349 0.547 1
1 1 . 18 1 1 A 7 7 GLY CA C 7 45.465 46.607 -1.142 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 4.004 3.944 0.060 1
1 3 . 18 1 1 A 7 7 GLY C C 7 174.505 174.826 -0.321 1
1 4 . 18 1 1 A 7 7 GLY HA2 H 7 4.004 3.943 0.061 1
1 5 . 18 1 1 A 8 8 THR N N 8 112.992 113.455 -0.463 1
1 6 . 18 1 1 A 8 8 THR H H 8 8.116 7.731 0.385 1
1 7 . 18 1 1 A 8 8 THR CA C 8 62.003 62.540 -0.537 1
1 8 . 18 1 1 A 8 8 THR HA H 8 4.339 4.238 0.101 1
1 9 . 18 1 1 A 8 8 THR CB C 8 69.816 68.876 0.940 1
1 15 . 18 1 1 A 8 8 THR C C 8 175.226 174.767 0.459 1
1 16 . 18 1 1 A 9 9 GLY N N 9 110.864 111.910 -1.046 1
1 17 . 18 1 1 A 9 9 GLY H H 9 8.444 8.919 -0.475 1
1 18 . 18 1 1 A 9 9 GLY CA C 9 45.365 46.764 -1.399 1
1 19 . 18 1 1 A 9 9 GLY HA3 H 9 3.928 4.020 -0.092 1
1 20 . 18 1 1 A 9 9 GLY C C 9 174.085 173.809 0.276 1
1 21 . 18 1 1 A 9 9 GLY HA2 H 9 3.928 4.018 -0.090 1
1 22 . 18 1 1 A 10 10 MET N N 10 119.413 124.375 -4.962 1
1 23 . 18 1 1 A 10 10 MET H H 10 8.136 8.695 -0.559 1
1 24 . 18 1 1 A 10 10 MET CA C 10 55.711 56.139 -0.428 1
1 25 . 18 1 1 A 10 10 MET HA H 10 4.375 4.289 0.086 1
1 26 . 18 1 1 A 10 10 MET CB C 10 32.785 32.714 0.071 1
1 34 . 18 1 1 A 10 10 MET C C 10 176.047 175.718 0.329 1
1 37 . 18 1 1 A 11 11 LYS N N 11 122.314 124.333 -2.019 1
1 38 . 18 1 1 A 11 11 LYS H H 11 8.236 8.107 0.129 1
1 39 . 18 1 1 A 11 11 LYS CA C 11 53.843 53.808 0.035 1
1 40 . 18 1 1 A 11 11 LYS HA H 11 4.511 4.786 -0.275 1
1 41 . 18 1 1 A 11 11 LYS CB C 11 32.984 33.283 -0.299 1
1 49 . 18 1 1 A 11 11 LYS C C 11 173.828 176.310 -2.482 1
1 54 . 18 1 1 A 12 12 PRO CA C 12 63.240 65.643 -2.403 1
1 55 . 18 1 1 A 12 12 PRO HA H 12 4.296 4.143 0.153 1
1 56 . 18 1 1 A 12 12 PRO CB C 12 32.231 31.125 1.106 1
1 62 . 18 1 1 A 12 12 PRO C C 12 176.278 176.898 -0.620 1
1 66 . 18 1 1 A 13 13 TYR N N 13 119.354 116.417 2.937 1
1 67 . 18 1 1 A 13 13 TYR H H 13 7.989 8.239 -0.250 1
1 68 . 18 1 1 A 13 13 TYR CA C 13 57.665 57.175 0.490 1
1 69 . 18 1 1 A 13 13 TYR HA H 13 4.568 4.836 -0.268 1
1 70 . 18 1 1 A 13 13 TYR CB C 13 38.332 38.611 -0.279 1
1 80 . 18 1 1 A 13 13 TYR C C 13 174.439 175.927 -1.488 1
1 82 . 18 1 1 A 14 14 VAL N N 14 124.765 121.149 3.616 1
1 83 . 18 1 1 A 14 14 VAL H H 14 8.407 7.331 1.076 1
1 84 . 18 1 1 A 14 14 VAL CA C 14 61.341 62.811 -1.470 1
1 85 . 18 1 1 A 14 14 VAL HA H 14 4.583 4.422 0.161 1
1 86 . 18 1 1 A 14 14 VAL CB C 14 34.420 32.378 2.042 1
1 96 . 18 1 1 A 14 14 VAL C C 14 175.329 176.072 -0.743 1
1 97 . 18 1 1 A 15 15 CYS N N 15 128.696 127.841 0.855 1
1 98 . 18 1 1 A 15 15 CYS H H 15 9.225 9.222 0.003 1
1 99 . 18 1 1 A 15 15 CYS CA C 15 59.512 60.364 -0.852 1
1 100 . 18 1 1 A 15 15 CYS HA H 15 4.512 4.402 0.110 1
1 101 . 18 1 1 A 15 15 CYS CB C 15 29.777 29.166 0.611 1
1 103 . 18 1 1 A 15 15 CYS C C 15 176.992 176.008 0.984 1
1 105 . 18 1 1 A 16 16 ASN N N 16 130.445 126.298 4.147 1
1 106 . 18 1 1 A 16 16 ASN H H 16 9.373 8.920 0.453 1
1 107 . 18 1 1 A 16 16 ASN CA C 16 55.598 53.328 2.270 1
1 108 . 18 1 1 A 16 16 ASN HA H 16 4.521 4.997 -0.476 1
1 109 . 18 1 1 A 16 16 ASN CB C 16 38.593 38.892 -0.299 1
1 114 . 18 1 1 A 16 16 ASN C C 16 175.261 175.794 -0.533 1
1 116 . 18 1 1 A 17 17 GLU N N 17 120.657 117.442 3.215 1
1 117 . 18 1 1 A 17 17 GLU H H 17 8.766 7.976 0.790 1
1 118 . 18 1 1 A 17 17 GLU CA C 17 58.253 57.295 0.958 1
1 119 . 18 1 1 A 17 17 GLU HA H 17 4.225 4.567 -0.342 1
1 120 . 18 1 1 A 17 17 GLU CB C 17 29.552 32.427 -2.875 1
1 124 . 18 1 1 A 17 17 GLU C C 17 177.171 177.923 -0.752 1
1 127 . 18 1 1 A 18 18 CYS N N 18 114.840 115.106 -0.266 1
1 128 . 18 1 1 A 18 18 CYS H H 18 8.023 8.259 -0.236 1
1 129 . 18 1 1 A 18 18 CYS CA C 18 58.322 59.445 -1.123 1
1 130 . 18 1 1 A 18 18 CYS HA H 18 5.169 4.754 0.415 1
1 131 . 18 1 1 A 18 18 CYS CB C 18 32.619 30.282 2.337 1
1 133 . 18 1 1 A 18 18 CYS C C 18 176.373 175.601 0.772 1
1 135 . 18 1 1 A 19 19 GLY N N 19 113.504 110.507 2.997 1
1 136 . 18 1 1 A 19 19 GLY H H 19 8.164 8.362 -0.198 1
1 137 . 18 1 1 A 19 19 GLY CA C 19 46.263 45.312 0.951 1
1 138 . 18 1 1 A 19 19 GLY HA3 H 19 4.177 4.044 0.133 1
1 139 . 18 1 1 A 19 19 GLY C C 19 173.670 174.266 -0.596 1
1 140 . 18 1 1 A 19 19 GLY HA2 H 19 3.743 4.033 -0.290 1
1 141 . 18 1 1 A 20 20 LYS N N 20 122.939 122.484 0.455 1
1 142 . 18 1 1 A 20 20 LYS H H 20 7.950 7.557 0.393 1
1 143 . 18 1 1 A 20 20 LYS CA C 20 58.169 55.683 2.486 1
1 144 . 18 1 1 A 20 20 LYS HA H 20 3.947 4.177 -0.230 1
1 145 . 18 1 1 A 20 20 LYS CB C 20 33.712 32.623 1.089 1
1 153 . 18 1 1 A 20 20 LYS C C 20 173.404 175.756 -2.352 1
1 158 . 18 1 1 A 21 21 ALA N N 21 123.614 129.786 -6.172 1
1 159 . 18 1 1 A 21 21 ALA H H 21 7.752 8.358 -0.606 1
1 160 . 18 1 1 A 21 21 ALA CA C 21 50.174 50.682 -0.508 1
1 161 . 18 1 1 A 21 21 ALA HA H 21 5.114 5.058 0.056 1
1 162 . 18 1 1 A 21 21 ALA CB C 21 22.563 20.619 1.944 1
1 166 . 18 1 1 A 21 21 ALA C C 21 176.523 176.564 -0.041 1
1 167 . 18 1 1 A 22 22 PHE N N 22 116.849 119.085 -2.236 1
1 168 . 18 1 1 A 22 22 PHE H H 22 8.926 8.896 0.030 1
1 169 . 18 1 1 A 22 22 PHE CA C 22 57.347 57.180 0.167 1
1 170 . 18 1 1 A 22 22 PHE HA H 22 4.736 4.873 -0.137 1
1 171 . 18 1 1 A 22 22 PHE CB C 22 44.094 43.134 0.960 1
1 183 . 18 1 1 A 22 22 PHE C C 22 176.070 175.982 0.088 1
1 185 . 18 1 1 A 23 23 ARG N N 23 118.853 122.723 -3.870 1
1 186 . 18 1 1 A 23 23 ARG H H 23 9.278 8.805 0.473 1
1 187 . 18 1 1 A 23 23 ARG CA C 23 57.758 57.407 0.351 1
1 188 . 18 1 1 A 23 23 ARG HA H 23 4.507 4.290 0.217 1
1 189 . 18 1 1 A 23 23 ARG CB C 23 31.163 31.395 -0.232 1
1 195 . 18 1 1 A 23 23 ARG C C 23 175.555 175.825 -0.270 1
1 199 . 18 1 1 A 24 24 SER N N 24 109.867 108.871 0.996 1
1 200 . 18 1 1 A 24 24 SER H H 24 7.445 7.848 -0.403 1
1 201 . 18 1 1 A 24 24 SER CA C 24 55.916 55.962 -0.046 1
1 202 . 18 1 1 A 24 24 SER HA H 24 4.716 3.521 1.195 1
1 203 . 18 1 1 A 24 24 SER CB C 24 66.155 66.018 0.137 1
1 205 . 18 1 1 A 24 24 SER C C 24 173.335 174.084 -0.749 1
1 207 . 18 1 1 A 25 25 LYS N N 25 125.390 118.872 6.518 1
1 208 . 18 1 1 A 25 25 LYS H H 25 8.308 8.884 -0.576 1
1 209 . 18 1 1 A 25 25 LYS CA C 25 59.004 59.212 -0.208 1
1 210 . 18 1 1 A 25 25 LYS HA H 25 3.212 4.251 -1.039 1
1 211 . 18 1 1 A 25 25 LYS CB C 25 31.811 32.256 -0.445 1
1 219 . 18 1 1 A 25 25 LYS C C 25 178.128 178.725 -0.597 1
1 224 . 18 1 1 A 26 26 SER N N 26 113.087 114.663 -1.576 1
1 225 . 18 1 1 A 26 26 SER H H 26 8.198 8.230 -0.032 1
1 226 . 18 1 1 A 26 26 SER CA C 26 61.434 61.194 0.240 1
1 227 . 18 1 1 A 26 26 SER HA H 26 3.944 4.242 -0.298 1
1 228 . 18 1 1 A 26 26 SER CB C 26 61.936 62.507 -0.571 1
1 230 . 18 1 1 A 26 26 SER C C 26 176.875 176.194 0.681 1
1 232 . 18 1 1 A 27 27 TYR N N 27 119.500 119.642 -0.142 1
1 233 . 18 1 1 A 27 27 TYR H H 27 7.262 7.529 -0.267 1
1 234 . 18 1 1 A 27 27 TYR CA C 27 59.906 60.750 -0.844 1
1 235 . 18 1 1 A 27 27 TYR HA H 27 4.245 4.241 0.004 1
1 236 . 18 1 1 A 27 27 TYR CB C 27 37.518 38.394 -0.876 1
1 246 . 18 1 1 A 27 27 TYR C C 27 178.410 178.027 0.383 1
1 248 . 18 1 1 A 28 28 LEU N N 28 122.215 120.717 1.498 1
1 249 . 18 1 1 A 28 28 LEU H H 28 7.340 7.673 -0.333 1
1 250 . 18 1 1 A 28 28 LEU CA C 28 58.160 57.061 1.099 1
1 251 . 18 1 1 A 28 28 LEU HA H 28 3.372 2.947 0.425 1
1 252 . 18 1 1 A 28 28 LEU CB C 28 40.641 41.652 -1.011 1
1 264 . 18 1 1 A 28 28 LEU C C 28 178.010 178.417 -0.407 1
1 266 . 18 1 1 A 29 29 ILE N N 29 121.146 119.179 1.967 1
1 267 . 18 1 1 A 29 29 ILE H H 29 8.364 8.180 0.184 1
1 268 . 18 1 1 A 29 29 ILE CA C 29 65.133 65.338 -0.205 1
1 269 . 18 1 1 A 29 29 ILE HA H 29 3.650 3.486 0.164 1
1 270 . 18 1 1 A 29 29 ILE CB C 29 37.476 37.903 -0.427 1
1 282 . 18 1 1 A 29 29 ILE C C 29 179.053 178.495 0.558 1
1 284 . 18 1 1 A 30 30 ILE N N 30 119.869 117.171 2.698 1
1 285 . 18 1 1 A 30 30 ILE H H 30 7.447 7.552 -0.105 1
1 286 . 18 1 1 A 30 30 ILE CA C 30 65.067 63.254 1.813 1
1 287 . 18 1 1 A 30 30 ILE HA H 30 3.513 3.975 -0.462 1
1 288 . 18 1 1 A 30 30 ILE CB C 30 38.321 37.543 0.778 1
1 300 . 18 1 1 A 30 30 ILE C C 30 178.755 177.594 1.161 1
1 302 . 18 1 1 A 31 31 HIS N N 31 119.137 121.878 -2.741 1
1 303 . 18 1 1 A 31 31 HIS H H 31 7.717 8.047 -0.330 1
1 304 . 18 1 1 A 31 31 HIS CA C 31 59.468 59.014 0.454 1
1 305 . 18 1 1 A 31 31 HIS HA H 31 4.231 4.334 -0.103 1
1 306 . 18 1 1 A 31 31 HIS CB C 31 28.172 30.138 -1.966 1
1 312 . 18 1 1 A 31 31 HIS C C 31 178.382 177.301 1.081 1
1 314 . 18 1 1 A 32 32 THR N N 32 116.707 114.830 1.877 1
1 315 . 18 1 1 A 32 32 THR H H 32 9.007 8.796 0.211 1
1 316 . 18 1 1 A 32 32 THR CA C 32 66.925 66.976 -0.051 1
1 317 . 18 1 1 A 32 32 THR HA H 32 3.710 4.058 -0.348 1
1 318 . 18 1 1 A 32 32 THR CB C 32 69.079 68.892 0.187 1
1 324 . 18 1 1 A 32 32 THR C C 32 176.003 176.952 -0.949 1
1 325 . 18 1 1 A 33 33 ARG N N 33 119.936 120.605 -0.669 1
1 326 . 18 1 1 A 33 33 ARG H H 33 7.256 8.172 -0.916 1
1 327 . 18 1 1 A 33 33 ARG CA C 33 58.571 58.786 -0.215 1
1 328 . 18 1 1 A 33 33 ARG HA H 33 4.219 4.097 0.122 1
1 329 . 18 1 1 A 33 33 ARG CB C 33 29.786 29.949 -0.163 1
1 335 . 18 1 1 A 33 33 ARG C C 33 178.241 177.880 0.361 1
1 339 . 18 1 1 A 34 34 THR N N 34 109.982 111.049 -1.067 1
1 340 . 18 1 1 A 34 34 THR H H 34 7.821 8.509 -0.688 1
1 341 . 18 1 1 A 34 34 THR CA C 34 64.062 65.755 -1.693 1
1 342 . 18 1 1 A 34 34 THR HA H 34 4.111 4.118 -0.007 1
1 343 . 18 1 1 A 34 34 THR CB C 34 69.241 68.215 1.026 1
1 349 . 18 1 1 A 34 34 THR C C 34 175.691 176.776 -1.085 1
1 350 . 18 1 1 A 35 35 HIS N N 35 118.562 120.064 -1.502 1
1 351 . 18 1 1 A 35 35 HIS H H 35 7.303 7.634 -0.331 1
1 352 . 18 1 1 A 35 35 HIS CA C 35 55.753 58.949 -3.196 1
1 353 . 18 1 1 A 35 35 HIS HA H 35 4.833 4.198 0.635 1
1 354 . 18 1 1 A 35 35 HIS CB C 35 28.760 29.358 -0.598 1
1 360 . 18 1 1 A 35 35 HIS C C 35 175.857 177.561 -1.704 1
1 362 . 18 1 1 A 36 36 THR N N 36 111.405 111.175 0.230 1
1 363 . 18 1 1 A 36 36 THR H H 36 7.836 8.130 -0.294 1
1 364 . 18 1 1 A 36 36 THR CA C 36 62.358 64.094 -1.736 1
1 365 . 18 1 1 A 36 36 THR HA H 36 4.359 4.064 0.295 1
1 366 . 18 1 1 A 36 36 THR CB C 36 69.861 68.760 1.101 1
1 372 . 18 1 1 A 36 36 THR C C 36 175.557 175.327 0.230 1
1 373 . 18 1 1 A 37 37 GLY N N 37 110.788 109.893 0.895 1
1 374 . 18 1 1 A 37 37 GLY H H 37 8.256 7.265 0.991 1
1 375 . 18 1 1 A 37 37 GLY CA C 37 45.471 45.520 -0.049 1
1 376 . 18 1 1 A 37 37 GLY HA3 H 37 3.933 4.096 -0.163 1
1 377 . 18 1 1 A 37 37 GLY C C 37 174.315 174.089 0.226 1
1 378 . 18 1 1 A 37 37 GLY HA2 H 37 4.037 4.085 -0.048 1
1 379 . 18 1 1 A 38 38 GLU N N 38 120.671 122.481 -1.810 1
1 380 . 18 1 1 A 38 38 GLU H H 38 8.139 8.288 -0.149 1
1 381 . 18 1 1 A 38 38 GLU CA C 38 56.638 55.305 1.333 1
1 382 . 18 1 1 A 38 38 GLU HA H 38 4.271 4.797 -0.526 1
1 383 . 18 1 1 A 38 38 GLU CB C 38 30.487 30.287 0.200 1
1 387 . 18 1 1 A 38 38 GLU C C 38 176.506 175.091 1.415 1
1 390 . 18 1 1 A 39 39 SER N N 39 116.808 122.846 -6.038 1
1 391 . 18 1 1 A 39 39 SER H H 39 8.416 9.020 -0.604 1
1 392 . 18 1 1 A 39 39 SER CA C 39 58.427 57.666 0.761 1
1 393 . 18 1 1 A 39 39 SER HA H 39 4.440 4.932 -0.492 1
1 394 . 18 1 1 A 39 39 SER CB C 39 64.030 63.258 0.772 1
1 396 . 18 1 1 A 39 39 SER C C 39 174.564 173.604 0.960 1
1 398 . 18 1 1 A 40 40 GLY N N 40 110.559 111.817 -1.258 1
1 399 . 18 1 1 A 40 40 GLY H H 40 8.236 8.169 0.067 1
1 400 . 18 1 1 A 40 40 GLY CA C 40 44.652 45.755 -1.103 1
1 401 . 18 1 1 A 40 40 GLY HA3 H 40 4.045 4.231 -0.186 1
1 402 . 18 1 1 A 40 40 GLY C C 40 171.663 173.537 -1.874 1
1 403 . 18 1 1 A 40 40 GLY HA2 H 40 4.139 4.231 -0.092 1
1 404 . 18 1 1 A 41 41 PRO CA C 41 63.186 64.964 -1.778 1
1 405 . 18 1 1 A 41 41 PRO HA H 41 4.459 4.296 0.163 1
1 406 . 18 1 1 A 41 41 PRO CB C 41 32.141 31.884 0.257 1
1 412 . 18 1 1 A 41 41 PRO C C 41 177.354 177.617 -0.263 1
1 416 . 18 1 1 A 42 42 SER N N 42 116.533 114.575 1.958 1
1 417 . 18 1 1 A 42 42 SER H H 42 8.540 8.019 0.521 1
1 418 . 18 1 1 A 42 42 SER CA C 42 58.357 59.264 -0.907 1
1 419 . 18 1 1 A 42 42 SER HA H 42 4.458 4.156 0.302 1
1 420 . 18 1 1 A 42 42 SER CB C 42 63.799 62.056 1.743 1
1 422 . 18 1 1 A 42 42 SER C C 42 174.657 174.435 0.222 1
1 424 . 18 1 1 A 43 43 SER N N 43 117.855 114.324 3.531 1
1 425 . 18 1 1 A 43 43 SER H H 43 8.309 8.387 -0.078 1
1 426 . 18 1 1 A 43 43 SER CA C 43 58.342 59.792 -1.450 1
1 427 . 18 1 1 A 43 43 SER HA H 43 4.451 4.442 0.009 1
1 428 . 18 1 1 A 43 43 SER CB C 43 64.100 64.148 -0.048 1
1 430 . 18 1 1 A 43 43 SER C C 43 173.896 175.634 -1.738 1
1 1 . 19 1 1 A 7 7 GLY CA C 7 45.465 46.348 -0.883 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 4.004 4.055 -0.051 1
1 3 . 19 1 1 A 7 7 GLY C C 7 174.505 175.264 -0.759 1
1 4 . 19 1 1 A 7 7 GLY HA2 H 7 4.004 4.054 -0.050 1
1 5 . 19 1 1 A 8 8 THR N N 8 112.992 112.055 0.937 1
1 6 . 19 1 1 A 8 8 THR H H 8 8.116 8.097 0.019 1
1 7 . 19 1 1 A 8 8 THR CA C 8 62.003 64.623 -2.620 1
1 8 . 19 1 1 A 8 8 THR HA H 8 4.339 4.246 0.093 1
1 9 . 19 1 1 A 8 8 THR CB C 8 69.816 69.205 0.611 1
1 15 . 19 1 1 A 8 8 THR C C 8 175.226 175.401 -0.175 1
1 16 . 19 1 1 A 9 9 GLY N N 9 110.864 109.991 0.873 1
1 17 . 19 1 1 A 9 9 GLY H H 9 8.444 7.621 0.823 1
1 18 . 19 1 1 A 9 9 GLY CA C 9 45.365 44.408 0.957 1
1 19 . 19 1 1 A 9 9 GLY HA3 H 9 3.928 4.025 -0.097 1
1 20 . 19 1 1 A 9 9 GLY C C 9 174.085 172.217 1.868 1
1 21 . 19 1 1 A 9 9 GLY HA2 H 9 3.928 4.023 -0.095 1
1 22 . 19 1 1 A 10 10 MET N N 10 119.413 119.207 0.206 1
1 23 . 19 1 1 A 10 10 MET H H 10 8.136 8.651 -0.515 1
1 24 . 19 1 1 A 10 10 MET CA C 10 55.711 53.788 1.923 1
1 25 . 19 1 1 A 10 10 MET HA H 10 4.375 4.911 -0.536 1
1 26 . 19 1 1 A 10 10 MET CB C 10 32.785 31.784 1.001 1
1 34 . 19 1 1 A 10 10 MET C C 10 176.047 175.327 0.720 1
1 37 . 19 1 1 A 11 11 LYS N N 11 122.314 124.820 -2.506 1
1 38 . 19 1 1 A 11 11 LYS H H 11 8.236 8.429 -0.193 1
1 39 . 19 1 1 A 11 11 LYS CA C 11 53.843 52.064 1.779 1
1 40 . 19 1 1 A 11 11 LYS HA H 11 4.511 4.852 -0.341 1
1 41 . 19 1 1 A 11 11 LYS CB C 11 32.984 33.461 -0.477 1
1 49 . 19 1 1 A 11 11 LYS C C 11 173.828 175.554 -1.726 1
1 54 . 19 1 1 A 12 12 PRO CA C 12 63.240 65.662 -2.422 1
1 55 . 19 1 1 A 12 12 PRO HA H 12 4.296 4.139 0.157 1
1 56 . 19 1 1 A 12 12 PRO CB C 12 32.231 31.149 1.082 1
1 62 . 19 1 1 A 12 12 PRO C C 12 176.278 177.100 -0.822 1
1 66 . 19 1 1 A 13 13 TYR N N 13 119.354 117.104 2.250 1
1 67 . 19 1 1 A 13 13 TYR H H 13 7.989 8.227 -0.238 1
1 68 . 19 1 1 A 13 13 TYR CA C 13 57.665 57.206 0.459 1
1 69 . 19 1 1 A 13 13 TYR HA H 13 4.568 4.805 -0.237 1
1 70 . 19 1 1 A 13 13 TYR CB C 13 38.332 38.335 -0.003 1
1 80 . 19 1 1 A 13 13 TYR C C 13 174.439 176.081 -1.642 1
1 82 . 19 1 1 A 14 14 VAL N N 14 124.765 121.415 3.350 1
1 83 . 19 1 1 A 14 14 VAL H H 14 8.407 7.389 1.018 1
1 84 . 19 1 1 A 14 14 VAL CA C 14 61.341 62.796 -1.455 1
1 85 . 19 1 1 A 14 14 VAL HA H 14 4.583 4.392 0.191 1
1 86 . 19 1 1 A 14 14 VAL CB C 14 34.420 32.347 2.073 1
1 96 . 19 1 1 A 14 14 VAL C C 14 175.329 175.707 -0.378 1
1 97 . 19 1 1 A 15 15 CYS N N 15 128.696 126.562 2.134 1
1 98 . 19 1 1 A 15 15 CYS H H 15 9.225 9.006 0.219 1
1 99 . 19 1 1 A 15 15 CYS CA C 15 59.512 59.106 0.406 1
1 100 . 19 1 1 A 15 15 CYS HA H 15 4.512 4.636 -0.124 1
1 101 . 19 1 1 A 15 15 CYS CB C 15 29.777 27.954 1.823 1
1 103 . 19 1 1 A 15 15 CYS C C 15 176.992 176.193 0.799 1
1 105 . 19 1 1 A 16 16 ASN N N 16 130.445 126.206 4.239 1
1 106 . 19 1 1 A 16 16 ASN H H 16 9.373 8.973 0.400 1
1 107 . 19 1 1 A 16 16 ASN CA C 16 55.598 55.210 0.388 1
1 108 . 19 1 1 A 16 16 ASN HA H 16 4.521 4.628 -0.107 1
1 109 . 19 1 1 A 16 16 ASN CB C 16 38.593 38.157 0.436 1
1 114 . 19 1 1 A 16 16 ASN C C 16 175.261 176.604 -1.343 1
1 116 . 19 1 1 A 17 17 GLU N N 17 120.657 118.318 2.339 1
1 117 . 19 1 1 A 17 17 GLU H H 17 8.766 7.960 0.806 1
1 118 . 19 1 1 A 17 17 GLU CA C 17 58.253 58.672 -0.419 1
1 119 . 19 1 1 A 17 17 GLU HA H 17 4.225 4.242 -0.017 1
1 120 . 19 1 1 A 17 17 GLU CB C 17 29.552 30.596 -1.044 1
1 124 . 19 1 1 A 17 17 GLU C C 17 177.171 178.306 -1.135 1
1 127 . 19 1 1 A 18 18 CYS N N 18 114.840 114.816 0.024 1
1 128 . 19 1 1 A 18 18 CYS H H 18 8.023 8.214 -0.191 1
1 129 . 19 1 1 A 18 18 CYS CA C 18 58.322 59.509 -1.187 1
1 130 . 19 1 1 A 18 18 CYS HA H 18 5.169 4.695 0.474 1
1 131 . 19 1 1 A 18 18 CYS CB C 18 32.619 30.285 2.334 1
1 133 . 19 1 1 A 18 18 CYS C C 18 176.373 175.623 0.750 1
1 135 . 19 1 1 A 19 19 GLY N N 19 113.504 110.039 3.465 1
1 136 . 19 1 1 A 19 19 GLY H H 19 8.164 8.520 -0.356 1
1 137 . 19 1 1 A 19 19 GLY CA C 19 46.263 45.078 1.185 1
1 138 . 19 1 1 A 19 19 GLY HA3 H 19 4.177 3.934 0.243 1
1 139 . 19 1 1 A 19 19 GLY C C 19 173.670 174.443 -0.773 1
1 140 . 19 1 1 A 19 19 GLY HA2 H 19 3.743 3.922 -0.179 1
1 141 . 19 1 1 A 20 20 LYS N N 20 122.939 122.433 0.506 1
1 142 . 19 1 1 A 20 20 LYS H H 20 7.950 7.441 0.509 1
1 143 . 19 1 1 A 20 20 LYS CA C 20 58.169 56.452 1.717 1
1 144 . 19 1 1 A 20 20 LYS HA H 20 3.947 4.011 -0.064 1
1 145 . 19 1 1 A 20 20 LYS CB C 20 33.712 32.967 0.745 1
1 153 . 19 1 1 A 20 20 LYS C C 20 173.404 175.920 -2.516 1
1 158 . 19 1 1 A 21 21 ALA N N 21 123.614 129.382 -5.768 1
1 159 . 19 1 1 A 21 21 ALA H H 21 7.752 8.334 -0.582 1
1 160 . 19 1 1 A 21 21 ALA CA C 21 50.174 50.514 -0.340 1
1 161 . 19 1 1 A 21 21 ALA HA H 21 5.114 5.151 -0.037 1
1 162 . 19 1 1 A 21 21 ALA CB C 21 22.563 20.573 1.990 1
1 166 . 19 1 1 A 21 21 ALA C C 21 176.523 176.600 -0.077 1
1 167 . 19 1 1 A 22 22 PHE N N 22 116.849 120.088 -3.239 1
1 168 . 19 1 1 A 22 22 PHE H H 22 8.926 9.213 -0.287 1
1 169 . 19 1 1 A 22 22 PHE CA C 22 57.347 57.237 0.110 1
1 170 . 19 1 1 A 22 22 PHE HA H 22 4.736 5.070 -0.334 1
1 171 . 19 1 1 A 22 22 PHE CB C 22 44.094 42.606 1.488 1
1 183 . 19 1 1 A 22 22 PHE C C 22 176.070 176.542 -0.472 1
1 185 . 19 1 1 A 23 23 ARG N N 23 118.853 119.305 -0.452 1
1 186 . 19 1 1 A 23 23 ARG H H 23 9.278 8.785 0.493 1
1 187 . 19 1 1 A 23 23 ARG CA C 23 57.758 56.826 0.932 1
1 188 . 19 1 1 A 23 23 ARG HA H 23 4.507 4.312 0.195 1
1 189 . 19 1 1 A 23 23 ARG CB C 23 31.163 31.425 -0.262 1
1 195 . 19 1 1 A 23 23 ARG C C 23 175.555 175.995 -0.440 1
1 199 . 19 1 1 A 24 24 SER N N 24 109.867 114.512 -4.645 1
1 200 . 19 1 1 A 24 24 SER H H 24 7.445 7.782 -0.337 1
1 201 . 19 1 1 A 24 24 SER CA C 24 55.916 56.916 -1.000 1
1 202 . 19 1 1 A 24 24 SER HA H 24 4.716 3.891 0.825 1
1 203 . 19 1 1 A 24 24 SER CB C 24 66.155 66.901 -0.746 1
1 205 . 19 1 1 A 24 24 SER C C 24 173.335 173.536 -0.201 1
1 207 . 19 1 1 A 25 25 LYS N N 25 125.390 125.013 0.377 1
1 208 . 19 1 1 A 25 25 LYS H H 25 8.308 9.118 -0.810 1
1 209 . 19 1 1 A 25 25 LYS CA C 25 59.004 60.020 -1.016 1
1 210 . 19 1 1 A 25 25 LYS HA H 25 3.212 4.111 -0.899 1
1 211 . 19 1 1 A 25 25 LYS CB C 25 31.811 32.633 -0.822 1
1 219 . 19 1 1 A 25 25 LYS C C 25 178.128 178.846 -0.718 1
1 224 . 19 1 1 A 26 26 SER N N 26 113.087 116.681 -3.594 1
1 225 . 19 1 1 A 26 26 SER H H 26 8.198 8.140 0.058 1
1 226 . 19 1 1 A 26 26 SER CA C 26 61.434 62.455 -1.021 1
1 227 . 19 1 1 A 26 26 SER HA H 26 3.944 4.152 -0.208 1
1 228 . 19 1 1 A 26 26 SER CB C 26 61.936 63.335 -1.399 1
1 230 . 19 1 1 A 26 26 SER C C 26 176.875 176.075 0.800 1
1 232 . 19 1 1 A 27 27 TYR N N 27 119.500 123.375 -3.875 1
1 233 . 19 1 1 A 27 27 TYR H H 27 7.262 7.559 -0.297 1
1 234 . 19 1 1 A 27 27 TYR CA C 27 59.906 60.179 -0.273 1
1 235 . 19 1 1 A 27 27 TYR HA H 27 4.245 4.209 0.036 1
1 236 . 19 1 1 A 27 27 TYR CB C 27 37.518 38.871 -1.353 1
1 246 . 19 1 1 A 27 27 TYR C C 27 178.410 177.492 0.918 1
1 248 . 19 1 1 A 28 28 LEU N N 28 122.215 119.698 2.517 1
1 249 . 19 1 1 A 28 28 LEU H H 28 7.340 7.784 -0.444 1
1 250 . 19 1 1 A 28 28 LEU CA C 28 58.160 56.357 1.803 1
1 251 . 19 1 1 A 28 28 LEU HA H 28 3.372 2.334 1.038 1
1 252 . 19 1 1 A 28 28 LEU CB C 28 40.641 41.776 -1.135 1
1 264 . 19 1 1 A 28 28 LEU C C 28 178.010 178.365 -0.355 1
1 266 . 19 1 1 A 29 29 ILE N N 29 121.146 118.800 2.346 1
1 267 . 19 1 1 A 29 29 ILE H H 29 8.364 8.264 0.100 1
1 268 . 19 1 1 A 29 29 ILE CA C 29 65.133 64.687 0.446 1
1 269 . 19 1 1 A 29 29 ILE HA H 29 3.650 3.645 0.005 1
1 270 . 19 1 1 A 29 29 ILE CB C 29 37.476 37.099 0.377 1
1 282 . 19 1 1 A 29 29 ILE C C 29 179.053 178.325 0.728 1
1 284 . 19 1 1 A 30 30 ILE N N 30 119.869 117.217 2.652 1
1 285 . 19 1 1 A 30 30 ILE H H 30 7.447 7.283 0.164 1
1 286 . 19 1 1 A 30 30 ILE CA C 30 65.067 63.532 1.535 1
1 287 . 19 1 1 A 30 30 ILE HA H 30 3.513 3.914 -0.401 1
1 288 . 19 1 1 A 30 30 ILE CB C 30 38.321 37.357 0.964 1
1 300 . 19 1 1 A 30 30 ILE C C 30 178.755 177.425 1.330 1
1 302 . 19 1 1 A 31 31 HIS N N 31 119.137 121.893 -2.756 1
1 303 . 19 1 1 A 31 31 HIS H H 31 7.717 7.882 -0.165 1
1 304 . 19 1 1 A 31 31 HIS CA C 31 59.468 58.983 0.485 1
1 305 . 19 1 1 A 31 31 HIS HA H 31 4.231 4.281 -0.050 1
1 306 . 19 1 1 A 31 31 HIS CB C 31 28.172 29.910 -1.738 1
1 312 . 19 1 1 A 31 31 HIS C C 31 178.382 176.877 1.505 1
1 314 . 19 1 1 A 32 32 THR N N 32 116.707 114.034 2.673 1
1 315 . 19 1 1 A 32 32 THR H H 32 9.007 8.394 0.613 1
1 316 . 19 1 1 A 32 32 THR CA C 32 66.925 65.482 1.443 1
1 317 . 19 1 1 A 32 32 THR HA H 32 3.710 4.116 -0.406 1
1 318 . 19 1 1 A 32 32 THR CB C 32 69.079 68.916 0.163 1
1 324 . 19 1 1 A 32 32 THR C C 32 176.003 176.880 -0.877 1
1 325 . 19 1 1 A 33 33 ARG N N 33 119.936 120.230 -0.294 1
1 326 . 19 1 1 A 33 33 ARG H H 33 7.256 7.875 -0.619 1
1 327 . 19 1 1 A 33 33 ARG CA C 33 58.571 58.783 -0.212 1
1 328 . 19 1 1 A 33 33 ARG HA H 33 4.219 4.102 0.117 1
1 329 . 19 1 1 A 33 33 ARG CB C 33 29.786 29.651 0.135 1
1 335 . 19 1 1 A 33 33 ARG C C 33 178.241 178.124 0.117 1
1 339 . 19 1 1 A 34 34 THR N N 34 109.982 111.746 -1.764 1
1 340 . 19 1 1 A 34 34 THR H H 34 7.821 7.937 -0.116 1
1 341 . 19 1 1 A 34 34 THR CA C 34 64.062 65.028 -0.966 1
1 342 . 19 1 1 A 34 34 THR HA H 34 4.111 4.010 0.101 1
1 343 . 19 1 1 A 34 34 THR CB C 34 69.241 68.323 0.918 1
1 349 . 19 1 1 A 34 34 THR C C 34 175.691 176.556 -0.865 1
1 350 . 19 1 1 A 35 35 HIS N N 35 118.562 119.782 -1.220 1
1 351 . 19 1 1 A 35 35 HIS H H 35 7.303 7.499 -0.196 1
1 352 . 19 1 1 A 35 35 HIS CA C 35 55.753 59.022 -3.269 1
1 353 . 19 1 1 A 35 35 HIS HA H 35 4.833 4.314 0.519 1
1 354 . 19 1 1 A 35 35 HIS CB C 35 28.760 29.202 -0.442 1
1 360 . 19 1 1 A 35 35 HIS C C 35 175.857 175.067 0.790 1
1 362 . 19 1 1 A 36 36 THR N N 36 111.405 112.291 -0.886 1
1 363 . 19 1 1 A 36 36 THR H H 36 7.836 7.947 -0.111 1
1 364 . 19 1 1 A 36 36 THR CA C 36 62.358 62.850 -0.492 1
1 365 . 19 1 1 A 36 36 THR HA H 36 4.359 3.970 0.389 1
1 366 . 19 1 1 A 36 36 THR CB C 36 69.861 66.645 3.216 1
1 372 . 19 1 1 A 36 36 THR C C 36 175.557 174.331 1.226 1
1 373 . 19 1 1 A 37 37 GLY N N 37 110.788 109.927 0.861 1
1 374 . 19 1 1 A 37 37 GLY H H 37 8.256 8.590 -0.334 1
1 375 . 19 1 1 A 37 37 GLY CA C 37 45.471 44.655 0.816 1
1 376 . 19 1 1 A 37 37 GLY HA3 H 37 3.933 4.108 -0.175 1
1 377 . 19 1 1 A 37 37 GLY C C 37 174.315 172.917 1.398 1
1 378 . 19 1 1 A 37 37 GLY HA2 H 37 4.037 4.103 -0.066 1
1 379 . 19 1 1 A 38 38 GLU N N 38 120.671 122.831 -2.160 1
1 380 . 19 1 1 A 38 38 GLU H H 38 8.139 8.744 -0.605 1
1 381 . 19 1 1 A 38 38 GLU CA C 38 56.638 55.186 1.452 1
1 382 . 19 1 1 A 38 38 GLU HA H 38 4.271 4.959 -0.688 1
1 383 . 19 1 1 A 38 38 GLU CB C 38 30.487 31.844 -1.357 1
1 387 . 19 1 1 A 38 38 GLU C C 38 176.506 175.498 1.008 1
1 390 . 19 1 1 A 39 39 SER N N 39 116.808 121.656 -4.848 1
1 391 . 19 1 1 A 39 39 SER H H 39 8.416 8.688 -0.272 1
1 392 . 19 1 1 A 39 39 SER CA C 39 58.427 59.333 -0.906 1
1 393 . 19 1 1 A 39 39 SER HA H 39 4.440 4.683 -0.243 1
1 394 . 19 1 1 A 39 39 SER CB C 39 64.030 63.504 0.526 1
1 396 . 19 1 1 A 39 39 SER C C 39 174.564 174.690 -0.126 1
1 398 . 19 1 1 A 40 40 GLY N N 40 110.559 111.956 -1.397 1
1 399 . 19 1 1 A 40 40 GLY H H 40 8.236 8.281 -0.045 1
1 400 . 19 1 1 A 40 40 GLY CA C 40 44.652 45.373 -0.721 1
1 401 . 19 1 1 A 40 40 GLY HA3 H 40 4.045 4.181 -0.136 1
1 402 . 19 1 1 A 40 40 GLY C C 40 171.663 174.060 -2.397 1
1 403 . 19 1 1 A 40 40 GLY HA2 H 40 4.139 4.175 -0.036 1
1 404 . 19 1 1 A 41 41 PRO CA C 41 63.186 63.808 -0.622 1
1 405 . 19 1 1 A 41 41 PRO HA H 41 4.459 4.542 -0.083 1
1 406 . 19 1 1 A 41 41 PRO CB C 41 32.141 31.901 0.240 1
1 412 . 19 1 1 A 41 41 PRO C C 41 177.354 176.532 0.822 1
1 416 . 19 1 1 A 42 42 SER N N 42 116.533 115.951 0.582 1
1 417 . 19 1 1 A 42 42 SER H H 42 8.540 8.152 0.388 1
1 418 . 19 1 1 A 42 42 SER CA C 42 58.357 58.422 -0.065 1
1 419 . 19 1 1 A 42 42 SER HA H 42 4.458 4.383 0.075 1
1 420 . 19 1 1 A 42 42 SER CB C 42 63.799 63.035 0.764 1
1 422 . 19 1 1 A 42 42 SER C C 42 174.657 174.717 -0.060 1
1 424 . 19 1 1 A 43 43 SER N N 43 117.855 123.806 -5.951 1
1 425 . 19 1 1 A 43 43 SER H H 43 8.309 8.709 -0.400 1
1 426 . 19 1 1 A 43 43 SER CA C 43 58.342 60.867 -2.525 1
1 427 . 19 1 1 A 43 43 SER HA H 43 4.451 4.182 0.269 1
1 428 . 19 1 1 A 43 43 SER CB C 43 64.100 63.479 0.621 1
1 430 . 19 1 1 A 43 43 SER C C 43 173.896 175.049 -1.153 1
1 1 . 20 1 1 A 7 7 GLY CA C 7 45.465 44.360 1.105 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 4.004 4.129 -0.125 1
1 3 . 20 1 1 A 7 7 GLY C C 7 174.505 172.425 2.080 1
1 4 . 20 1 1 A 7 7 GLY HA2 H 7 4.004 4.129 -0.125 1
1 5 . 20 1 1 A 8 8 THR N N 8 112.992 114.599 -1.607 1
1 6 . 20 1 1 A 8 8 THR H H 8 8.116 8.141 -0.025 1
1 7 . 20 1 1 A 8 8 THR CA C 8 62.003 60.421 1.582 1
1 8 . 20 1 1 A 8 8 THR HA H 8 4.339 4.925 -0.586 1
1 9 . 20 1 1 A 8 8 THR CB C 8 69.816 71.803 -1.987 1
1 15 . 20 1 1 A 8 8 THR C C 8 175.226 173.958 1.268 1
1 16 . 20 1 1 A 9 9 GLY N N 9 110.864 111.546 -0.682 1
1 17 . 20 1 1 A 9 9 GLY H H 9 8.444 8.342 0.102 1
1 18 . 20 1 1 A 9 9 GLY CA C 9 45.365 44.309 1.056 1
1 19 . 20 1 1 A 9 9 GLY HA3 H 9 3.928 4.150 -0.222 1
1 20 . 20 1 1 A 9 9 GLY C C 9 174.085 172.751 1.334 1
1 21 . 20 1 1 A 9 9 GLY HA2 H 9 3.928 4.148 -0.220 1
1 22 . 20 1 1 A 10 10 MET N N 10 119.413 117.339 2.074 1
1 23 . 20 1 1 A 10 10 MET H H 10 8.136 8.422 -0.286 1
1 24 . 20 1 1 A 10 10 MET CA C 10 55.711 53.142 2.569 1
1 25 . 20 1 1 A 10 10 MET HA H 10 4.375 5.373 -0.998 1
1 26 . 20 1 1 A 10 10 MET CB C 10 32.785 35.143 -2.358 1
1 34 . 20 1 1 A 10 10 MET C C 10 176.047 175.030 1.017 1
1 37 . 20 1 1 A 11 11 LYS N N 11 122.314 122.449 -0.135 1
1 38 . 20 1 1 A 11 11 LYS H H 11 8.236 8.384 -0.148 1
1 39 . 20 1 1 A 11 11 LYS CA C 11 53.843 55.492 -1.649 1
1 40 . 20 1 1 A 11 11 LYS HA H 11 4.511 4.252 0.259 1
1 41 . 20 1 1 A 11 11 LYS CB C 11 32.984 31.887 1.097 1
1 49 . 20 1 1 A 11 11 LYS C C 11 173.828 177.388 -3.560 1
1 54 . 20 1 1 A 12 12 PRO CA C 12 63.240 65.647 -2.407 1
1 55 . 20 1 1 A 12 12 PRO HA H 12 4.296 4.142 0.154 1
1 56 . 20 1 1 A 12 12 PRO CB C 12 32.231 31.141 1.090 1
1 62 . 20 1 1 A 12 12 PRO C C 12 176.278 176.883 -0.605 1
1 66 . 20 1 1 A 13 13 TYR N N 13 119.354 116.406 2.948 1
1 67 . 20 1 1 A 13 13 TYR H H 13 7.989 8.242 -0.253 1
1 68 . 20 1 1 A 13 13 TYR CA C 13 57.665 57.188 0.477 1
1 69 . 20 1 1 A 13 13 TYR HA H 13 4.568 4.815 -0.247 1
1 70 . 20 1 1 A 13 13 TYR CB C 13 38.332 38.729 -0.397 1
1 80 . 20 1 1 A 13 13 TYR C C 13 174.439 175.965 -1.526 1
1 82 . 20 1 1 A 14 14 VAL N N 14 124.765 121.113 3.652 1
1 83 . 20 1 1 A 14 14 VAL H H 14 8.407 7.355 1.052 1
1 84 . 20 1 1 A 14 14 VAL CA C 14 61.341 62.829 -1.488 1
1 85 . 20 1 1 A 14 14 VAL HA H 14 4.583 4.360 0.223 1
1 86 . 20 1 1 A 14 14 VAL CB C 14 34.420 32.337 2.083 1
1 96 . 20 1 1 A 14 14 VAL C C 14 175.329 176.084 -0.755 1
1 97 . 20 1 1 A 15 15 CYS N N 15 128.696 127.476 1.220 1
1 98 . 20 1 1 A 15 15 CYS H H 15 9.225 9.197 0.028 1
1 99 . 20 1 1 A 15 15 CYS CA C 15 59.512 60.054 -0.542 1
1 100 . 20 1 1 A 15 15 CYS HA H 15 4.512 4.535 -0.023 1
1 101 . 20 1 1 A 15 15 CYS CB C 15 29.777 28.974 0.803 1
1 103 . 20 1 1 A 15 15 CYS C C 15 176.992 176.082 0.910 1
1 105 . 20 1 1 A 16 16 ASN N N 16 130.445 126.320 4.125 1
1 106 . 20 1 1 A 16 16 ASN H H 16 9.373 8.955 0.418 1
1 107 . 20 1 1 A 16 16 ASN CA C 16 55.598 54.744 0.854 1
1 108 . 20 1 1 A 16 16 ASN HA H 16 4.521 4.781 -0.260 1
1 109 . 20 1 1 A 16 16 ASN CB C 16 38.593 38.292 0.301 1
1 114 . 20 1 1 A 16 16 ASN C C 16 175.261 175.735 -0.474 1
1 116 . 20 1 1 A 17 17 GLU N N 17 120.657 117.129 3.528 1
1 117 . 20 1 1 A 17 17 GLU H H 17 8.766 8.012 0.754 1
1 118 . 20 1 1 A 17 17 GLU CA C 17 58.253 57.566 0.687 1
1 119 . 20 1 1 A 17 17 GLU HA H 17 4.225 4.511 -0.286 1
1 120 . 20 1 1 A 17 17 GLU CB C 17 29.552 31.245 -1.693 1
1 124 . 20 1 1 A 17 17 GLU C C 17 177.171 178.208 -1.037 1
1 127 . 20 1 1 A 18 18 CYS N N 18 114.840 115.230 -0.390 1
1 128 . 20 1 1 A 18 18 CYS H H 18 8.023 8.280 -0.257 1
1 129 . 20 1 1 A 18 18 CYS CA C 18 58.322 59.395 -1.073 1
1 130 . 20 1 1 A 18 18 CYS HA H 18 5.169 4.754 0.415 1
1 131 . 20 1 1 A 18 18 CYS CB C 18 32.619 30.295 2.324 1
1 133 . 20 1 1 A 18 18 CYS C C 18 176.373 175.758 0.615 1
1 135 . 20 1 1 A 19 19 GLY N N 19 113.504 110.243 3.261 1
1 136 . 20 1 1 A 19 19 GLY H H 19 8.164 8.119 0.045 1
1 137 . 20 1 1 A 19 19 GLY CA C 19 46.263 45.060 1.203 1
1 138 . 20 1 1 A 19 19 GLY HA3 H 19 4.177 4.007 0.170 1
1 139 . 20 1 1 A 19 19 GLY C C 19 173.670 174.412 -0.742 1
1 140 . 20 1 1 A 19 19 GLY HA2 H 19 3.743 3.993 -0.250 1
1 141 . 20 1 1 A 20 20 LYS N N 20 122.939 122.436 0.503 1
1 142 . 20 1 1 A 20 20 LYS H H 20 7.950 7.506 0.444 1
1 143 . 20 1 1 A 20 20 LYS CA C 20 58.169 56.421 1.748 1
1 144 . 20 1 1 A 20 20 LYS HA H 20 3.947 3.955 -0.008 1
1 145 . 20 1 1 A 20 20 LYS CB C 20 33.712 32.886 0.826 1
1 153 . 20 1 1 A 20 20 LYS C C 20 173.404 175.606 -2.202 1
1 158 . 20 1 1 A 21 21 ALA N N 21 123.614 129.650 -6.036 1
1 159 . 20 1 1 A 21 21 ALA H H 21 7.752 8.319 -0.567 1
1 160 . 20 1 1 A 21 21 ALA CA C 21 50.174 50.720 -0.546 1
1 161 . 20 1 1 A 21 21 ALA HA H 21 5.114 4.971 0.143 1
1 162 . 20 1 1 A 21 21 ALA CB C 21 22.563 20.305 2.258 1
1 166 . 20 1 1 A 21 21 ALA C C 21 176.523 176.504 0.019 1
1 167 . 20 1 1 A 22 22 PHE N N 22 116.849 119.666 -2.817 1
1 168 . 20 1 1 A 22 22 PHE H H 22 8.926 9.057 -0.131 1
1 169 . 20 1 1 A 22 22 PHE CA C 22 57.347 57.109 0.238 1
1 170 . 20 1 1 A 22 22 PHE HA H 22 4.736 4.868 -0.132 1
1 171 . 20 1 1 A 22 22 PHE CB C 22 44.094 42.798 1.296 1
1 183 . 20 1 1 A 22 22 PHE C C 22 176.070 175.957 0.113 1
1 185 . 20 1 1 A 23 23 ARG N N 23 118.853 120.862 -2.009 1
1 186 . 20 1 1 A 23 23 ARG H H 23 9.278 9.159 0.119 1
1 187 . 20 1 1 A 23 23 ARG CA C 23 57.758 57.434 0.324 1
1 188 . 20 1 1 A 23 23 ARG HA H 23 4.507 4.307 0.200 1
1 189 . 20 1 1 A 23 23 ARG CB C 23 31.163 31.204 -0.041 1
1 195 . 20 1 1 A 23 23 ARG C C 23 175.555 176.033 -0.478 1
1 199 . 20 1 1 A 24 24 SER N N 24 109.867 114.442 -4.575 1
1 200 . 20 1 1 A 24 24 SER H H 24 7.445 7.970 -0.525 1
1 201 . 20 1 1 A 24 24 SER CA C 24 55.916 57.035 -1.119 1
1 202 . 20 1 1 A 24 24 SER HA H 24 4.716 3.820 0.896 1
1 203 . 20 1 1 A 24 24 SER CB C 24 66.155 65.873 0.282 1
1 205 . 20 1 1 A 24 24 SER C C 24 173.335 174.185 -0.850 1
1 207 . 20 1 1 A 25 25 LYS N N 25 125.390 125.640 -0.250 1
1 208 . 20 1 1 A 25 25 LYS H H 25 8.308 8.740 -0.432 1
1 209 . 20 1 1 A 25 25 LYS CA C 25 59.004 60.567 -1.563 1
1 210 . 20 1 1 A 25 25 LYS HA H 25 3.212 4.117 -0.905 1
1 211 . 20 1 1 A 25 25 LYS CB C 25 31.811 32.235 -0.424 1
1 219 . 20 1 1 A 25 25 LYS C C 25 178.128 177.898 0.230 1
1 224 . 20 1 1 A 26 26 SER N N 26 113.087 114.087 -1.000 1
1 225 . 20 1 1 A 26 26 SER H H 26 8.198 7.946 0.252 1
1 226 . 20 1 1 A 26 26 SER CA C 26 61.434 61.206 0.228 1
1 227 . 20 1 1 A 26 26 SER HA H 26 3.944 4.073 -0.129 1
1 228 . 20 1 1 A 26 26 SER CB C 26 61.936 62.942 -1.006 1
1 230 . 20 1 1 A 26 26 SER C C 26 176.875 176.345 0.530 1
1 232 . 20 1 1 A 27 27 TYR N N 27 119.500 118.869 0.631 1
1 233 . 20 1 1 A 27 27 TYR H H 27 7.262 7.744 -0.482 1
1 234 . 20 1 1 A 27 27 TYR CA C 27 59.906 60.787 -0.881 1
1 235 . 20 1 1 A 27 27 TYR HA H 27 4.245 4.172 0.073 1
1 236 . 20 1 1 A 27 27 TYR CB C 27 37.518 37.761 -0.243 1
1 246 . 20 1 1 A 27 27 TYR C C 27 178.410 177.935 0.475 1
1 248 . 20 1 1 A 28 28 LEU N N 28 122.215 120.602 1.613 1
1 249 . 20 1 1 A 28 28 LEU H H 28 7.340 8.140 -0.800 1
1 250 . 20 1 1 A 28 28 LEU CA C 28 58.160 56.980 1.180 1
1 251 . 20 1 1 A 28 28 LEU HA H 28 3.372 3.048 0.324 1
1 252 . 20 1 1 A 28 28 LEU CB C 28 40.641 41.756 -1.115 1
1 264 . 20 1 1 A 28 28 LEU C C 28 178.010 178.611 -0.601 1
1 266 . 20 1 1 A 29 29 ILE N N 29 121.146 118.838 2.308 1
1 267 . 20 1 1 A 29 29 ILE H H 29 8.364 8.200 0.164 1
1 268 . 20 1 1 A 29 29 ILE CA C 29 65.133 64.817 0.316 1
1 269 . 20 1 1 A 29 29 ILE HA H 29 3.650 3.693 -0.043 1
1 270 . 20 1 1 A 29 29 ILE CB C 29 37.476 37.890 -0.414 1
1 282 . 20 1 1 A 29 29 ILE C C 29 179.053 178.327 0.726 1
1 284 . 20 1 1 A 30 30 ILE N N 30 119.869 117.324 2.545 1
1 285 . 20 1 1 A 30 30 ILE H H 30 7.447 7.564 -0.117 1
1 286 . 20 1 1 A 30 30 ILE CA C 30 65.067 63.415 1.652 1
1 287 . 20 1 1 A 30 30 ILE HA H 30 3.513 3.955 -0.442 1
1 288 . 20 1 1 A 30 30 ILE CB C 30 38.321 37.454 0.867 1
1 300 . 20 1 1 A 30 30 ILE C C 30 178.755 177.625 1.130 1
1 302 . 20 1 1 A 31 31 HIS N N 31 119.137 121.957 -2.820 1
1 303 . 20 1 1 A 31 31 HIS H H 31 7.717 8.043 -0.326 1
1 304 . 20 1 1 A 31 31 HIS CA C 31 59.468 59.016 0.452 1
1 305 . 20 1 1 A 31 31 HIS HA H 31 4.231 4.331 -0.100 1
1 306 . 20 1 1 A 31 31 HIS CB C 31 28.172 30.166 -1.994 1
1 312 . 20 1 1 A 31 31 HIS C C 31 178.382 177.354 1.028 1
1 314 . 20 1 1 A 32 32 THR N N 32 116.707 113.970 2.737 1
1 315 . 20 1 1 A 32 32 THR H H 32 9.007 8.745 0.262 1
1 316 . 20 1 1 A 32 32 THR CA C 32 66.925 65.541 1.384 1
1 317 . 20 1 1 A 32 32 THR HA H 32 3.710 3.993 -0.283 1
1 318 . 20 1 1 A 32 32 THR CB C 32 69.079 69.024 0.055 1
1 324 . 20 1 1 A 32 32 THR C C 32 176.003 176.770 -0.767 1
1 325 . 20 1 1 A 33 33 ARG N N 33 119.936 120.073 -0.137 1
1 326 . 20 1 1 A 33 33 ARG H H 33 7.256 8.180 -0.924 1
1 327 . 20 1 1 A 33 33 ARG CA C 33 58.571 58.754 -0.183 1
1 328 . 20 1 1 A 33 33 ARG HA H 33 4.219 4.107 0.112 1
1 329 . 20 1 1 A 33 33 ARG CB C 33 29.786 29.869 -0.083 1
1 335 . 20 1 1 A 33 33 ARG C C 33 178.241 177.945 0.296 1
1 339 . 20 1 1 A 34 34 THR N N 34 109.982 111.023 -1.041 1
1 340 . 20 1 1 A 34 34 THR H H 34 7.821 8.460 -0.639 1
1 341 . 20 1 1 A 34 34 THR CA C 34 64.062 65.750 -1.688 1
1 342 . 20 1 1 A 34 34 THR HA H 34 4.111 4.113 -0.002 1
1 343 . 20 1 1 A 34 34 THR CB C 34 69.241 68.216 1.025 1
1 349 . 20 1 1 A 34 34 THR C C 34 175.691 176.723 -1.032 1
1 350 . 20 1 1 A 35 35 HIS N N 35 118.562 119.544 -0.982 1
1 351 . 20 1 1 A 35 35 HIS H H 35 7.303 7.597 -0.294 1
1 352 . 20 1 1 A 35 35 HIS CA C 35 55.753 58.660 -2.907 1
1 353 . 20 1 1 A 35 35 HIS HA H 35 4.833 4.483 0.350 1
1 354 . 20 1 1 A 35 35 HIS CB C 35 28.760 29.534 -0.774 1
1 360 . 20 1 1 A 35 35 HIS C C 35 175.857 176.175 -0.318 1
1 362 . 20 1 1 A 36 36 THR N N 36 111.405 106.165 5.240 1
1 363 . 20 1 1 A 36 36 THR H H 36 7.836 7.929 -0.093 1
1 364 . 20 1 1 A 36 36 THR CA C 36 62.358 61.433 0.925 1
1 365 . 20 1 1 A 36 36 THR HA H 36 4.359 4.365 -0.006 1
1 366 . 20 1 1 A 36 36 THR CB C 36 69.861 68.960 0.901 1
1 372 . 20 1 1 A 36 36 THR C C 36 175.557 174.499 1.058 1
1 373 . 20 1 1 A 37 37 GLY N N 37 110.788 109.476 1.312 1
1 374 . 20 1 1 A 37 37 GLY H H 37 8.256 7.542 0.714 1
1 375 . 20 1 1 A 37 37 GLY CA C 37 45.471 45.306 0.165 1
1 376 . 20 1 1 A 37 37 GLY HA3 H 37 3.933 4.102 -0.169 1
1 377 . 20 1 1 A 37 37 GLY C C 37 174.315 174.642 -0.327 1
1 378 . 20 1 1 A 37 37 GLY HA2 H 37 4.037 4.101 -0.064 1
1 379 . 20 1 1 A 38 38 GLU N N 38 120.671 119.842 0.829 1
1 380 . 20 1 1 A 38 38 GLU H H 38 8.139 7.960 0.179 1
1 381 . 20 1 1 A 38 38 GLU CA C 38 56.638 57.259 -0.621 1
1 382 . 20 1 1 A 38 38 GLU HA H 38 4.271 4.424 -0.153 1
1 383 . 20 1 1 A 38 38 GLU CB C 38 30.487 30.962 -0.475 1
1 387 . 20 1 1 A 38 38 GLU C C 38 176.506 176.408 0.098 1
1 390 . 20 1 1 A 39 39 SER N N 39 116.808 113.735 3.073 1
1 391 . 20 1 1 A 39 39 SER H H 39 8.416 7.672 0.744 1
1 392 . 20 1 1 A 39 39 SER CA C 39 58.427 56.803 1.624 1
1 393 . 20 1 1 A 39 39 SER HA H 39 4.440 4.814 -0.374 1
1 394 . 20 1 1 A 39 39 SER CB C 39 64.030 65.535 -1.505 1
1 396 . 20 1 1 A 39 39 SER C C 39 174.564 174.483 0.081 1
1 398 . 20 1 1 A 40 40 GLY N N 40 110.559 115.086 -4.527 1
1 399 . 20 1 1 A 40 40 GLY H H 40 8.236 8.835 -0.599 1
1 400 . 20 1 1 A 40 40 GLY CA C 40 44.652 47.040 -2.388 1
1 401 . 20 1 1 A 40 40 GLY HA3 H 40 4.045 3.939 0.106 1
1 402 . 20 1 1 A 40 40 GLY C C 40 171.663 174.407 -2.744 1
1 403 . 20 1 1 A 40 40 GLY HA2 H 40 4.139 3.939 0.200 1
1 404 . 20 1 1 A 41 41 PRO CA C 41 63.186 62.390 0.796 1
1 405 . 20 1 1 A 41 41 PRO HA H 41 4.459 4.721 -0.262 1
1 406 . 20 1 1 A 41 41 PRO CB C 41 32.141 29.702 2.439 1
1 412 . 20 1 1 A 41 41 PRO C C 41 177.354 175.156 2.198 1
1 416 . 20 1 1 A 42 42 SER N N 42 116.533 119.204 -2.671 1
1 417 . 20 1 1 A 42 42 SER H H 42 8.540 8.431 0.109 1
1 418 . 20 1 1 A 42 42 SER CA C 42 58.357 56.335 2.022 1
1 419 . 20 1 1 A 42 42 SER HA H 42 4.458 4.971 -0.513 1
1 420 . 20 1 1 A 42 42 SER CB C 42 63.799 66.395 -2.596 1
1 422 . 20 1 1 A 42 42 SER C C 42 174.657 172.411 2.246 1
1 424 . 20 1 1 A 43 43 SER N N 43 117.855 119.181 -1.326 1
1 425 . 20 1 1 A 43 43 SER H H 43 8.309 8.702 -0.393 1
1 426 . 20 1 1 A 43 43 SER CA C 43 58.342 58.969 -0.627 1
1 427 . 20 1 1 A 43 43 SER HA H 43 4.451 4.482 -0.031 1
1 428 . 20 1 1 A 43 43 SER CB C 43 64.100 63.983 0.117 1
1 430 . 20 1 1 A 43 43 SER C C 43 173.896 176.249 -2.353 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 37 1.363 1
2 1 1 1 "RMS(OBS, PRED)" CA 37 1.458 1
3 1 1 1 "RMS(OBS, PRED)" CB 32 1.127 1
4 1 1 1 "RMS(OBS, PRED)" H 34 0.491 1
5 1 1 1 "RMS(OBS, PRED)" HA 42 0.313 1
6 1 1 1 "RMS(OBS, PRED)" N 34 2.714 1
7 1 2 1 "RMS(OBS, PRED)" C 37 1.206 1
8 1 2 1 "RMS(OBS, PRED)" CA 37 1.380 1
9 1 2 1 "RMS(OBS, PRED)" CB 32 1.540 1
10 1 2 1 "RMS(OBS, PRED)" H 34 0.494 1
11 1 2 1 "RMS(OBS, PRED)" HA 42 0.346 1
12 1 2 1 "RMS(OBS, PRED)" N 34 3.264 1
13 1 3 1 "RMS(OBS, PRED)" C 37 0.895 1
14 1 3 1 "RMS(OBS, PRED)" CA 37 1.228 1
15 1 3 1 "RMS(OBS, PRED)" CB 32 1.281 1
16 1 3 1 "RMS(OBS, PRED)" H 34 0.498 1
17 1 3 1 "RMS(OBS, PRED)" HA 42 0.353 1
18 1 3 1 "RMS(OBS, PRED)" N 34 2.823 1
19 1 4 1 "RMS(OBS, PRED)" C 37 0.994 1
20 1 4 1 "RMS(OBS, PRED)" CA 37 1.398 1
21 1 4 1 "RMS(OBS, PRED)" CB 32 1.396 1
22 1 4 1 "RMS(OBS, PRED)" H 34 0.481 1
23 1 4 1 "RMS(OBS, PRED)" HA 42 0.315 1
24 1 4 1 "RMS(OBS, PRED)" N 34 2.809 1
25 1 5 1 "RMS(OBS, PRED)" C 37 0.994 1
26 1 5 1 "RMS(OBS, PRED)" CA 37 1.233 1
27 1 5 1 "RMS(OBS, PRED)" CB 32 1.100 1
28 1 5 1 "RMS(OBS, PRED)" H 34 0.501 1
29 1 5 1 "RMS(OBS, PRED)" HA 42 0.333 1
30 1 5 1 "RMS(OBS, PRED)" N 34 2.584 1
31 1 6 1 "RMS(OBS, PRED)" C 37 1.029 1
32 1 6 1 "RMS(OBS, PRED)" CA 37 1.316 1
33 1 6 1 "RMS(OBS, PRED)" CB 32 1.172 1
34 1 6 1 "RMS(OBS, PRED)" H 34 0.504 1
35 1 6 1 "RMS(OBS, PRED)" HA 42 0.268 1
36 1 6 1 "RMS(OBS, PRED)" N 34 3.141 1
37 1 7 1 "RMS(OBS, PRED)" C 37 1.129 1
38 1 7 1 "RMS(OBS, PRED)" CA 37 1.281 1
39 1 7 1 "RMS(OBS, PRED)" CB 32 1.142 1
40 1 7 1 "RMS(OBS, PRED)" H 34 0.478 1
41 1 7 1 "RMS(OBS, PRED)" HA 42 0.297 1
42 1 7 1 "RMS(OBS, PRED)" N 34 2.396 1
43 1 8 1 "RMS(OBS, PRED)" C 37 1.231 1
44 1 8 1 "RMS(OBS, PRED)" CA 37 1.450 1
45 1 8 1 "RMS(OBS, PRED)" CB 32 1.385 1
46 1 8 1 "RMS(OBS, PRED)" H 34 0.448 1
47 1 8 1 "RMS(OBS, PRED)" HA 42 0.350 1
48 1 8 1 "RMS(OBS, PRED)" N 34 3.015 1
49 1 9 1 "RMS(OBS, PRED)" C 37 1.058 1
50 1 9 1 "RMS(OBS, PRED)" CA 37 1.207 1
51 1 9 1 "RMS(OBS, PRED)" CB 32 1.144 1
52 1 9 1 "RMS(OBS, PRED)" H 34 0.471 1
53 1 9 1 "RMS(OBS, PRED)" HA 42 0.311 1
54 1 9 1 "RMS(OBS, PRED)" N 34 3.381 1
55 1 10 1 "RMS(OBS, PRED)" C 37 1.060 1
56 1 10 1 "RMS(OBS, PRED)" CA 37 1.309 1
57 1 10 1 "RMS(OBS, PRED)" CB 32 1.323 1
58 1 10 1 "RMS(OBS, PRED)" H 34 0.429 1
59 1 10 1 "RMS(OBS, PRED)" HA 42 0.368 1
60 1 10 1 "RMS(OBS, PRED)" N 34 2.977 1
61 1 11 1 "RMS(OBS, PRED)" C 37 1.010 1
62 1 11 1 "RMS(OBS, PRED)" CA 37 1.250 1
63 1 11 1 "RMS(OBS, PRED)" CB 32 1.182 1
64 1 11 1 "RMS(OBS, PRED)" H 34 0.490 1
65 1 11 1 "RMS(OBS, PRED)" HA 42 0.370 1
66 1 11 1 "RMS(OBS, PRED)" N 34 2.892 1
67 1 12 1 "RMS(OBS, PRED)" C 37 1.096 1
68 1 12 1 "RMS(OBS, PRED)" CA 37 1.299 1
69 1 12 1 "RMS(OBS, PRED)" CB 32 1.305 1
70 1 12 1 "RMS(OBS, PRED)" H 34 0.521 1
71 1 12 1 "RMS(OBS, PRED)" HA 42 0.349 1
72 1 12 1 "RMS(OBS, PRED)" N 34 2.774 1
73 1 13 1 "RMS(OBS, PRED)" C 37 0.938 1
74 1 13 1 "RMS(OBS, PRED)" CA 37 1.131 1
75 1 13 1 "RMS(OBS, PRED)" CB 32 1.358 1
76 1 13 1 "RMS(OBS, PRED)" H 34 0.531 1
77 1 13 1 "RMS(OBS, PRED)" HA 42 0.332 1
78 1 13 1 "RMS(OBS, PRED)" N 34 3.142 1
79 1 14 1 "RMS(OBS, PRED)" C 37 1.190 1
80 1 14 1 "RMS(OBS, PRED)" CA 37 1.505 1
81 1 14 1 "RMS(OBS, PRED)" CB 32 1.350 1
82 1 14 1 "RMS(OBS, PRED)" H 34 0.449 1
83 1 14 1 "RMS(OBS, PRED)" HA 42 0.343 1
84 1 14 1 "RMS(OBS, PRED)" N 34 3.257 1
85 1 15 1 "RMS(OBS, PRED)" C 37 0.907 1
86 1 15 1 "RMS(OBS, PRED)" CA 37 1.539 1
87 1 15 1 "RMS(OBS, PRED)" CB 32 1.224 1
88 1 15 1 "RMS(OBS, PRED)" H 34 0.473 1
89 1 15 1 "RMS(OBS, PRED)" HA 42 0.334 1
90 1 15 1 "RMS(OBS, PRED)" N 34 2.807 1
91 1 16 1 "RMS(OBS, PRED)" C 37 0.975 1
92 1 16 1 "RMS(OBS, PRED)" CA 37 1.268 1
93 1 16 1 "RMS(OBS, PRED)" CB 32 1.283 1
94 1 16 1 "RMS(OBS, PRED)" H 34 0.492 1
95 1 16 1 "RMS(OBS, PRED)" HA 42 0.360 1
96 1 16 1 "RMS(OBS, PRED)" N 34 2.752 1
97 1 17 1 "RMS(OBS, PRED)" C 37 1.223 1
98 1 17 1 "RMS(OBS, PRED)" CA 37 1.371 1
99 1 17 1 "RMS(OBS, PRED)" CB 32 1.261 1
100 1 17 1 "RMS(OBS, PRED)" H 34 0.478 1
101 1 17 1 "RMS(OBS, PRED)" HA 42 0.307 1
102 1 17 1 "RMS(OBS, PRED)" N 34 2.609 1
103 1 18 1 "RMS(OBS, PRED)" C 37 1.021 1
104 1 18 1 "RMS(OBS, PRED)" CA 37 1.278 1
105 1 18 1 "RMS(OBS, PRED)" CB 32 1.136 1
106 1 18 1 "RMS(OBS, PRED)" H 34 0.481 1
107 1 18 1 "RMS(OBS, PRED)" HA 42 0.361 1
108 1 18 1 "RMS(OBS, PRED)" N 34 2.913 1
109 1 19 1 "RMS(OBS, PRED)" C 37 1.104 1
110 1 19 1 "RMS(OBS, PRED)" CA 37 1.343 1
111 1 19 1 "RMS(OBS, PRED)" CB 32 1.256 1
112 1 19 1 "RMS(OBS, PRED)" H 34 0.455 1
113 1 19 1 "RMS(OBS, PRED)" HA 42 0.353 1
114 1 19 1 "RMS(OBS, PRED)" N 34 2.827 1
115 1 20 1 "RMS(OBS, PRED)" C 37 1.327 1
116 1 20 1 "RMS(OBS, PRED)" CA 37 1.363 1
117 1 20 1 "RMS(OBS, PRED)" CB 32 1.368 1
118 1 20 1 "RMS(OBS, PRED)" H 34 0.468 1
119 1 20 1 "RMS(OBS, PRED)" HA 42 0.346 1
120 1 20 1 "RMS(OBS, PRED)" N 34 2.712 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY CA C 7 45.465 45.503 -0.038 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 4.004 4.086 -0.082 2
1 3 . 1 1 A 7 7 GLY C C 7 174.505 173.794 0.711 2
1 4 . 1 1 A 7 7 GLY HA2 H 7 4.004 4.085 -0.081 2
1 5 . 1 1 A 8 8 THR N N 8 112.992 116.030 -3.038 2
1 6 . 1 1 A 8 8 THR H H 8 8.116 8.349 -0.233 2
1 7 . 1 1 A 8 8 THR CA C 8 62.003 62.217 -0.214 2
1 8 . 1 1 A 8 8 THR HA H 8 4.339 4.526 -0.187 2
1 9 . 1 1 A 8 8 THR CB C 8 69.816 69.839 -0.023 2
1 15 . 1 1 A 8 8 THR C C 8 175.226 174.527 0.699 2
1 16 . 1 1 A 9 9 GLY N N 9 110.864 111.283 -0.419 2
1 17 . 1 1 A 9 9 GLY H H 9 8.444 8.172 0.272 2
1 18 . 1 1 A 9 9 GLY CA C 9 45.365 45.491 -0.126 2
1 19 . 1 1 A 9 9 GLY HA3 H 9 3.928 4.058 -0.130 2
1 20 . 1 1 A 9 9 GLY C C 9 174.085 173.630 0.455 2
1 21 . 1 1 A 9 9 GLY HA2 H 9 3.928 4.055 -0.127 2
1 22 . 1 1 A 10 10 MET N N 10 119.413 120.896 -1.483 2
1 23 . 1 1 A 10 10 MET H H 10 8.136 8.392 -0.256 2
1 24 . 1 1 A 10 10 MET CA C 10 55.711 55.190 0.521 2
1 25 . 1 1 A 10 10 MET HA H 10 4.375 4.742 -0.367 2
1 26 . 1 1 A 10 10 MET CB C 10 32.785 33.867 -1.082 2
1 34 . 1 1 A 10 10 MET C C 10 176.047 175.413 0.634 2
1 37 . 1 1 A 11 11 LYS N N 11 122.314 122.094 0.220 2
1 38 . 1 1 A 11 11 LYS H H 11 8.236 8.208 0.028 2
1 39 . 1 1 A 11 11 LYS CA C 11 53.843 53.901 -0.058 2
1 40 . 1 1 A 11 11 LYS HA H 11 4.511 4.666 -0.155 2
1 41 . 1 1 A 11 11 LYS CB C 11 32.984 32.593 0.391 2
1 49 . 1 1 A 11 11 LYS C C 11 173.828 176.111 -2.283 2
1 54 . 1 1 A 12 12 PRO CA C 12 63.240 65.537 -2.297 2
1 55 . 1 1 A 12 12 PRO HA H 12 4.296 4.128 0.168 2
1 56 . 1 1 A 12 12 PRO CB C 12 32.231 31.114 1.117 2
1 62 . 1 1 A 12 12 PRO C C 12 176.278 176.885 -0.606 2
1 66 . 1 1 A 13 13 TYR N N 13 119.354 116.675 2.679 2
1 67 . 1 1 A 13 13 TYR H H 13 7.989 8.181 -0.192 2
1 68 . 1 1 A 13 13 TYR CA C 13 57.665 57.319 0.346 2
1 69 . 1 1 A 13 13 TYR HA H 13 4.568 4.823 -0.255 2
1 70 . 1 1 A 13 13 TYR CB C 13 38.332 38.822 -0.490 2
1 80 . 1 1 A 13 13 TYR C C 13 174.439 175.925 -1.486 2
1 82 . 1 1 A 14 14 VAL N N 14 124.765 121.234 3.531 2
1 83 . 1 1 A 14 14 VAL H H 14 8.407 7.358 1.049 2
1 84 . 1 1 A 14 14 VAL CA C 14 61.341 62.825 -1.484 2
1 85 . 1 1 A 14 14 VAL HA H 14 4.583 4.410 0.173 2
1 86 . 1 1 A 14 14 VAL CB C 14 34.420 32.335 2.085 2
1 96 . 1 1 A 14 14 VAL C C 14 175.329 175.853 -0.524 2
1 97 . 1 1 A 15 15 CYS N N 15 128.696 127.051 1.645 2
1 98 . 1 1 A 15 15 CYS H H 15 9.225 9.131 0.094 2
1 99 . 1 1 A 15 15 CYS CA C 15 59.512 59.716 -0.204 2
1 100 . 1 1 A 15 15 CYS HA H 15 4.512 4.559 -0.047 2
1 101 . 1 1 A 15 15 CYS CB C 15 29.777 28.627 1.150 2
1 103 . 1 1 A 15 15 CYS C C 15 176.992 176.085 0.907 2
1 105 . 1 1 A 16 16 ASN N N 16 130.445 126.452 3.993 2
1 106 . 1 1 A 16 16 ASN H H 16 9.373 9.034 0.339 2
1 107 . 1 1 A 16 16 ASN CA C 16 55.598 54.155 1.443 2
1 108 . 1 1 A 16 16 ASN HA H 16 4.521 4.809 -0.288 2
1 109 . 1 1 A 16 16 ASN CB C 16 38.593 38.461 0.132 2
1 114 . 1 1 A 16 16 ASN C C 16 175.261 176.020 -0.759 2
1 116 . 1 1 A 17 17 GLU N N 17 120.657 117.899 2.758 2
1 117 . 1 1 A 17 17 GLU H H 17 8.766 7.978 0.788 2
1 118 . 1 1 A 17 17 GLU CA C 17 58.253 57.724 0.529 2
1 119 . 1 1 A 17 17 GLU HA H 17 4.225 4.435 -0.210 2
1 120 . 1 1 A 17 17 GLU CB C 17 29.552 31.518 -1.967 2
1 124 . 1 1 A 17 17 GLU C C 17 177.171 178.027 -0.856 2
1 127 . 1 1 A 18 18 CYS N N 18 114.840 115.034 -0.194 2
1 128 . 1 1 A 18 18 CYS H H 18 8.023 8.178 -0.155 2
1 129 . 1 1 A 18 18 CYS CA C 18 58.322 59.409 -1.087 2
1 130 . 1 1 A 18 18 CYS HA H 18 5.169 4.725 0.444 2
1 131 . 1 1 A 18 18 CYS CB C 18 32.619 30.287 2.332 2
1 133 . 1 1 A 18 18 CYS C C 18 176.373 175.671 0.702 2
1 135 . 1 1 A 19 19 GLY N N 19 113.504 110.276 3.228 2
1 136 . 1 1 A 19 19 GLY H H 19 8.164 8.261 -0.097 2
1 137 . 1 1 A 19 19 GLY CA C 19 46.263 45.161 1.102 2
1 138 . 1 1 A 19 19 GLY HA3 H 19 4.177 4.024 0.153 2
1 139 . 1 1 A 19 19 GLY C C 19 173.670 174.372 -0.702 2
1 140 . 1 1 A 19 19 GLY HA2 H 19 3.743 4.014 -0.272 2
1 141 . 1 1 A 20 20 LYS N N 20 122.939 122.515 0.424 2
1 142 . 1 1 A 20 20 LYS H H 20 7.950 7.563 0.387 2
1 143 . 1 1 A 20 20 LYS CA C 20 58.169 56.116 2.053 2
1 144 . 1 1 A 20 20 LYS HA H 20 3.947 4.096 -0.149 2
1 145 . 1 1 A 20 20 LYS CB C 20 33.712 32.615 1.097 2
1 153 . 1 1 A 20 20 LYS C C 20 173.404 175.675 -2.271 2
1 158 . 1 1 A 21 21 ALA N N 21 123.614 129.730 -6.116 2
1 159 . 1 1 A 21 21 ALA H H 21 7.752 8.336 -0.584 2
1 160 . 1 1 A 21 21 ALA CA C 21 50.174 50.865 -0.691 2
1 161 . 1 1 A 21 21 ALA HA H 21 5.114 5.071 0.043 2
1 162 . 1 1 A 21 21 ALA CB C 21 22.563 20.604 1.959 2
1 166 . 1 1 A 21 21 ALA C C 21 176.523 176.588 -0.065 2
1 167 . 1 1 A 22 22 PHE N N 22 116.849 118.738 -1.889 2
1 168 . 1 1 A 22 22 PHE H H 22 8.926 8.975 -0.049 2
1 169 . 1 1 A 22 22 PHE CA C 22 57.347 57.077 0.270 2
1 170 . 1 1 A 22 22 PHE HA H 22 4.736 4.899 -0.163 2
1 171 . 1 1 A 22 22 PHE CB C 22 44.094 43.179 0.915 2
1 183 . 1 1 A 22 22 PHE C C 22 176.070 175.910 0.160 2
1 185 . 1 1 A 23 23 ARG N N 23 118.853 120.950 -2.097 2
1 186 . 1 1 A 23 23 ARG H H 23 9.278 8.960 0.318 2
1 187 . 1 1 A 23 23 ARG CA C 23 57.758 57.147 0.611 2
1 188 . 1 1 A 23 23 ARG HA H 23 4.507 4.269 0.238 2
1 189 . 1 1 A 23 23 ARG CB C 23 31.163 31.399 -0.236 2
1 195 . 1 1 A 23 23 ARG C C 23 175.555 175.725 -0.170 2
1 199 . 1 1 A 24 24 SER N N 24 109.867 112.292 -2.425 2
1 200 . 1 1 A 24 24 SER H H 24 7.445 7.818 -0.373 2
1 201 . 1 1 A 24 24 SER CA C 24 55.916 56.338 -0.422 2
1 202 . 1 1 A 24 24 SER HA H 24 4.716 3.976 0.740 2
1 203 . 1 1 A 24 24 SER CB C 24 66.155 66.288 -0.133 2
1 205 . 1 1 A 24 24 SER C C 24 173.335 174.307 -0.972 2
1 207 . 1 1 A 25 25 LYS N N 25 125.390 124.095 1.295 2
1 208 . 1 1 A 25 25 LYS H H 25 8.308 8.925 -0.617 2
1 209 . 1 1 A 25 25 LYS CA C 25 59.004 59.838 -0.834 2
1 210 . 1 1 A 25 25 LYS HA H 25 3.212 4.166 -0.954 2
1 211 . 1 1 A 25 25 LYS CB C 25 31.811 32.335 -0.524 2
1 219 . 1 1 A 25 25 LYS C C 25 178.128 178.306 -0.178 2
1 224 . 1 1 A 26 26 SER N N 26 113.087 115.019 -1.932 2
1 225 . 1 1 A 26 26 SER H H 26 8.198 8.067 0.131 2
1 226 . 1 1 A 26 26 SER CA C 26 61.434 61.199 0.235 2
1 227 . 1 1 A 26 26 SER HA H 26 3.944 4.198 -0.254 2
1 228 . 1 1 A 26 26 SER CB C 26 61.936 62.923 -0.987 2
1 230 . 1 1 A 26 26 SER C C 26 176.875 176.370 0.505 2
1 232 . 1 1 A 27 27 TYR N N 27 119.500 121.459 -1.959 2
1 233 . 1 1 A 27 27 TYR H H 27 7.262 7.533 -0.271 2
1 234 . 1 1 A 27 27 TYR CA C 27 59.906 60.693 -0.787 2
1 235 . 1 1 A 27 27 TYR HA H 27 4.245 4.186 0.059 2
1 236 . 1 1 A 27 27 TYR CB C 27 37.518 38.446 -0.928 2
1 246 . 1 1 A 27 27 TYR C C 27 178.410 177.665 0.745 2
1 248 . 1 1 A 28 28 LEU N N 28 122.215 120.271 1.944 2
1 249 . 1 1 A 28 28 LEU H H 28 7.340 7.784 -0.444 2
1 250 . 1 1 A 28 28 LEU CA C 28 58.160 56.855 1.305 2
1 251 . 1 1 A 28 28 LEU HA H 28 3.372 2.842 0.530 2
1 252 . 1 1 A 28 28 LEU CB C 28 40.641 41.734 -1.093 2
1 264 . 1 1 A 28 28 LEU C C 28 178.010 178.480 -0.470 2
1 266 . 1 1 A 29 29 ILE N N 29 121.146 118.809 2.337 2
1 267 . 1 1 A 29 29 ILE H H 29 8.364 8.060 0.304 2
1 268 . 1 1 A 29 29 ILE CA C 29 65.133 64.947 0.186 2
1 269 . 1 1 A 29 29 ILE HA H 29 3.650 3.615 0.035 2
1 270 . 1 1 A 29 29 ILE CB C 29 37.476 37.654 -0.178 2
1 282 . 1 1 A 29 29 ILE C C 29 179.053 178.320 0.733 2
1 284 . 1 1 A 30 30 ILE N N 30 119.869 117.133 2.736 2
1 285 . 1 1 A 30 30 ILE H H 30 7.447 7.484 -0.037 2
1 286 . 1 1 A 30 30 ILE CA C 30 65.067 63.469 1.598 2
1 287 . 1 1 A 30 30 ILE HA H 30 3.513 3.946 -0.433 2
1 288 . 1 1 A 30 30 ILE CB C 30 38.321 37.417 0.904 2
1 300 . 1 1 A 30 30 ILE C C 30 178.755 177.635 1.120 2
1 302 . 1 1 A 31 31 HIS N N 31 119.137 121.901 -2.764 2
1 303 . 1 1 A 31 31 HIS H H 31 7.717 7.915 -0.198 2
1 304 . 1 1 A 31 31 HIS CA C 31 59.468 59.004 0.464 2
1 305 . 1 1 A 31 31 HIS HA H 31 4.231 4.283 -0.052 2
1 306 . 1 1 A 31 31 HIS CB C 31 28.172 30.183 -2.010 2
1 312 . 1 1 A 31 31 HIS C C 31 178.382 177.226 1.156 2
1 314 . 1 1 A 32 32 THR N N 32 116.707 114.387 2.320 2
1 315 . 1 1 A 32 32 THR H H 32 9.007 8.654 0.353 2
1 316 . 1 1 A 32 32 THR CA C 32 66.925 65.925 1.000 2
1 317 . 1 1 A 32 32 THR HA H 32 3.710 4.154 -0.444 2
1 318 . 1 1 A 32 32 THR CB C 32 69.079 68.851 0.228 2
1 324 . 1 1 A 32 32 THR C C 32 176.003 176.777 -0.774 2
1 325 . 1 1 A 33 33 ARG N N 33 119.936 120.322 -0.386 2
1 326 . 1 1 A 33 33 ARG H H 33 7.256 8.175 -0.918 2
1 327 . 1 1 A 33 33 ARG CA C 33 58.571 58.708 -0.137 2
1 328 . 1 1 A 33 33 ARG HA H 33 4.219 4.123 0.096 2
1 329 . 1 1 A 33 33 ARG CB C 33 29.786 29.930 -0.144 2
1 335 . 1 1 A 33 33 ARG C C 33 178.241 178.196 0.045 2
1 339 . 1 1 A 34 34 THR N N 34 109.982 112.870 -2.888 2
1 340 . 1 1 A 34 34 THR H H 34 7.821 8.223 -0.402 2
1 341 . 1 1 A 34 34 THR CA C 34 64.062 65.076 -1.014 2
1 342 . 1 1 A 34 34 THR HA H 34 4.111 4.010 0.101 2
1 343 . 1 1 A 34 34 THR CB C 34 69.241 68.411 0.830 2
1 349 . 1 1 A 34 34 THR C C 34 175.691 176.344 -0.653 2
1 350 . 1 1 A 35 35 HIS N N 35 118.562 119.280 -0.718 2
1 351 . 1 1 A 35 35 HIS H H 35 7.303 7.698 -0.395 2
1 352 . 1 1 A 35 35 HIS CA C 35 55.753 58.195 -2.442 2
1 353 . 1 1 A 35 35 HIS HA H 35 4.833 4.413 0.420 2
1 354 . 1 1 A 35 35 HIS CB C 35 28.760 29.441 -0.681 2
1 360 . 1 1 A 35 35 HIS C C 35 175.857 176.449 -0.592 2
1 362 . 1 1 A 36 36 THR N N 36 111.405 111.503 -0.098 2
1 363 . 1 1 A 36 36 THR H H 36 7.836 7.977 -0.141 2
1 364 . 1 1 A 36 36 THR CA C 36 62.358 63.411 -1.053 2
1 365 . 1 1 A 36 36 THR HA H 36 4.359 4.147 0.212 2
1 366 . 1 1 A 36 36 THR CB C 36 69.861 68.595 1.266 2
1 372 . 1 1 A 36 36 THR C C 36 175.557 175.128 0.429 2
1 373 . 1 1 A 37 37 GLY N N 37 110.788 109.107 1.681 2
1 374 . 1 1 A 37 37 GLY H H 37 8.256 7.916 0.340 2
1 375 . 1 1 A 37 37 GLY CA C 37 45.471 45.880 -0.409 2
1 376 . 1 1 A 37 37 GLY HA3 H 37 3.933 4.007 -0.074 2
1 377 . 1 1 A 37 37 GLY C C 37 174.315 174.143 0.172 2
1 378 . 1 1 A 37 37 GLY HA2 H 37 4.037 3.998 0.039 2
1 379 . 1 1 A 38 38 GLU N N 38 120.671 121.611 -0.940 2
1 380 . 1 1 A 38 38 GLU H H 38 8.139 8.065 0.074 2
1 381 . 1 1 A 38 38 GLU CA C 38 56.638 56.703 -0.065 2
1 382 . 1 1 A 38 38 GLU HA H 38 4.271 4.459 -0.188 2
1 383 . 1 1 A 38 38 GLU CB C 38 30.487 30.597 -0.110 2
1 387 . 1 1 A 38 38 GLU C C 38 176.506 176.598 -0.092 2
1 390 . 1 1 A 39 39 SER N N 39 116.808 117.815 -1.007 2
1 391 . 1 1 A 39 39 SER H H 39 8.416 8.328 0.088 2
1 392 . 1 1 A 39 39 SER CA C 39 58.427 59.339 -0.912 2
1 393 . 1 1 A 39 39 SER HA H 39 4.440 4.518 -0.078 2
1 394 . 1 1 A 39 39 SER CB C 39 64.030 63.753 0.277 2
1 396 . 1 1 A 39 39 SER C C 39 174.564 174.542 0.022 2
1 398 . 1 1 A 40 40 GLY N N 40 110.559 110.399 0.160 2
1 399 . 1 1 A 40 40 GLY H H 40 8.236 8.157 0.079 2
1 400 . 1 1 A 40 40 GLY CA C 40 44.652 45.641 -0.989 2
1 401 . 1 1 A 40 40 GLY HA3 H 40 4.045 4.040 0.005 2
1 402 . 1 1 A 40 40 GLY C C 40 171.663 173.456 -1.793 2
1 403 . 1 1 A 40 40 GLY HA2 H 40 4.139 4.039 0.100 2
1 404 . 1 1 A 41 41 PRO CA C 41 63.186 63.198 -0.012 2
1 405 . 1 1 A 41 41 PRO HA H 41 4.459 4.561 -0.102 2
1 406 . 1 1 A 41 41 PRO CB C 41 32.141 31.872 0.269 2
1 412 . 1 1 A 41 41 PRO C C 41 177.354 176.603 0.751 2
1 416 . 1 1 A 42 42 SER N N 42 116.533 116.610 -0.077 2
1 417 . 1 1 A 42 42 SER H H 42 8.540 8.346 0.194 2
1 418 . 1 1 A 42 42 SER CA C 42 58.357 58.337 0.020 2
1 419 . 1 1 A 42 42 SER HA H 42 4.458 4.524 -0.066 2
1 420 . 1 1 A 42 42 SER CB C 42 63.799 63.601 0.198 2
1 422 . 1 1 A 42 42 SER C C 42 174.657 174.111 0.546 2
1 424 . 1 1 A 43 43 SER N N 43 117.855 117.526 0.329 2
1 425 . 1 1 A 43 43 SER H H 43 8.309 8.467 -0.158 2
1 426 . 1 1 A 43 43 SER CA C 43 58.342 58.645 -0.303 2
1 427 . 1 1 A 43 43 SER HA H 43 4.451 4.597 -0.146 2
1 428 . 1 1 A 43 43 SER CB C 43 64.100 64.214 -0.114 2
1 430 . 1 1 A 43 43 SER C C 43 173.896 174.508 -0.612 2
stop_
save_