data_15333_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15333
_Entry.PDB_ID 2JRJ
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 12 . 1 1 1 A 2 2 ASN H H 11 8.476 9.027 -0.551 1
1 13 . 1 1 1 A 2 2 ASN HA H 11 4.704 4.821 -0.117 1
1 16 . 1 1 1 A 2 2 ASN C C 11 175.058 176.235 -1.177 1
1 17 . 1 1 1 A 2 2 ASN CA C 11 53.375 52.567 0.808 1
1 18 . 1 1 1 A 2 2 ASN CB C 11 38.913 36.539 2.374 1
1 19 . 1 1 1 A 2 2 ASN N N 11 119.245 125.279 -6.034 1
1 20 . 1 1 1 A 3 3 VAL H H 12 8.023 8.046 -0.023 1
1 21 . 1 1 1 A 3 3 VAL HA H 12 4.171 4.233 -0.062 1
1 29 . 1 1 1 A 3 3 VAL C C 12 176.120 177.604 -1.484 1
1 30 . 1 1 1 A 3 3 VAL CA C 12 61.975 63.601 -1.626 1
1 31 . 1 1 1 A 3 3 VAL CB C 12 32.913 32.360 0.553 1
1 34 . 1 1 1 A 3 3 VAL N N 12 119.852 121.405 -1.553 1
1 35 . 1 1 1 A 4 4 SER H H 13 8.384 8.037 0.347 1
1 36 . 1 1 1 A 4 4 SER HA H 13 4.452 4.428 0.024 1
1 39 . 1 1 1 A 4 4 SER C C 13 174.153 174.519 -0.366 1
1 40 . 1 1 1 A 4 4 SER CA C 13 58.226 60.748 -2.522 1
1 41 . 1 1 1 A 4 4 SER CB C 13 63.663 63.391 0.272 1
1 42 . 1 1 1 A 4 4 SER N N 13 119.429 116.936 2.493 1
1 43 . 1 1 1 A 5 5 GLN H H 14 8.299 7.897 0.402 1
1 44 . 1 1 1 A 5 5 GLN HA H 14 4.332 4.780 -0.448 1
1 49 . 1 1 1 A 5 5 GLN C C 14 175.152 175.059 0.093 1
1 50 . 1 1 1 A 5 5 GLN CA C 14 56.164 54.855 1.309 1
1 51 . 1 1 1 A 5 5 GLN CB C 14 29.724 30.327 -0.603 1
1 53 . 1 1 1 A 5 5 GLN N N 14 123.721 118.538 5.183 1
1 54 . 1 1 1 A 6 6 GLN H H 15 8.692 8.645 0.047 1
1 55 . 1 1 1 A 6 6 GLN HA H 15 4.343 4.456 -0.113 1
1 60 . 1 1 1 A 6 6 GLN C C 15 175.193 175.733 -0.540 1
1 61 . 1 1 1 A 6 6 GLN CA C 15 56.539 56.233 0.306 1
1 62 . 1 1 1 A 6 6 GLN CB C 15 30.474 29.862 0.612 1
1 64 . 1 1 1 A 6 6 GLN N N 15 124.240 124.720 -0.480 1
1 65 . 1 1 1 A 7 7 ASN H H 16 8.291 8.855 -0.564 1
1 66 . 1 1 1 A 7 7 ASN HA H 16 5.049 5.355 -0.306 1
1 69 . 1 1 1 A 7 7 ASN C C 16 175.141 173.342 1.799 1
1 70 . 1 1 1 A 7 7 ASN CA C 16 52.224 51.536 0.688 1
1 71 . 1 1 1 A 7 7 ASN CB C 16 40.600 42.726 -2.126 1
1 72 . 1 1 1 A 7 7 ASN N N 16 116.809 115.919 0.890 1
1 73 . 1 1 1 A 8 8 CYS H H 17 8.737 9.046 -0.309 1
1 74 . 1 1 1 A 8 8 CYS HA H 17 4.584 4.700 -0.116 1
1 77 . 1 1 1 A 8 8 CYS CA C 17 56.164 56.255 -0.091 1
1 78 . 1 1 1 A 8 8 CYS CB C 17 31.976 29.367 2.609 1
1 79 . 1 1 1 A 8 8 CYS N N 17 127.386 120.143 7.243 1
1 80 . 1 1 1 A 9 9 PRO HA H 18 4.457 4.459 -0.002 1
1 87 . 1 1 1 A 9 9 PRO C C 18 175.922 178.033 -2.111 1
1 88 . 1 1 1 A 9 9 PRO CA C 18 63.663 64.116 -0.453 1
1 89 . 1 1 1 A 9 9 PRO CB C 18 32.913 31.887 1.026 1
1 92 . 1 1 1 A 10 10 ILE H H 19 8.471 8.202 0.269 1
1 93 . 1 1 1 A 10 10 ILE HA H 19 4.171 3.974 0.197 1
1 103 . 1 1 1 A 10 10 ILE C C 19 175.891 177.260 -1.369 1
1 104 . 1 1 1 A 10 10 ILE CA C 19 62.350 63.535 -1.185 1
1 105 . 1 1 1 A 10 10 ILE CB C 19 37.226 37.886 -0.660 1
1 109 . 1 1 1 A 10 10 ILE N N 19 121.858 116.266 5.592 1
1 110 . 1 1 1 A 11 11 CYS H H 20 7.443 7.334 0.109 1
1 111 . 1 1 1 A 11 11 CYS HA H 20 4.841 4.638 0.203 1
1 114 . 1 1 1 A 11 11 CYS C C 20 175.683 175.042 0.641 1
1 115 . 1 1 1 A 11 11 CYS CA C 20 57.851 58.389 -0.538 1
1 116 . 1 1 1 A 11 11 CYS CB C 20 31.601 29.103 2.498 1
1 117 . 1 1 1 A 11 11 CYS N N 20 115.827 117.066 -1.239 1
1 118 . 1 1 1 A 12 12 LEU H H 21 7.940 7.913 0.027 1
1 119 . 1 1 1 A 12 12 LEU HA H 21 4.241 3.868 0.373 1
1 129 . 1 1 1 A 12 12 LEU C C 21 176.286 175.395 0.891 1
1 130 . 1 1 1 A 12 12 LEU CA C 21 56.726 56.285 0.441 1
1 131 . 1 1 1 A 12 12 LEU CB C 21 38.163 39.907 -1.744 1
1 135 . 1 1 1 A 12 12 LEU N N 21 118.743 117.070 1.673 1
1 136 . 1 1 1 A 13 13 GLU H H 22 8.545 7.515 1.030 1
1 137 . 1 1 1 A 13 13 GLU HA H 22 4.700 4.727 -0.027 1
1 142 . 1 1 1 A 13 13 GLU C C 22 176.910 175.128 1.782 1
1 143 . 1 1 1 A 13 13 GLU CA C 22 55.224 54.709 0.515 1
1 144 . 1 1 1 A 13 13 GLU CB C 22 31.414 32.100 -0.686 1
1 146 . 1 1 1 A 13 13 GLU N N 22 119.659 117.301 2.358 1
1 147 . 1 1 1 A 14 14 ASP H H 23 8.705 8.620 0.085 1
1 148 . 1 1 1 A 14 14 ASP HA H 23 4.732 4.877 -0.145 1
1 151 . 1 1 1 A 14 14 ASP C C 23 177.077 175.372 1.705 1
1 152 . 1 1 1 A 14 14 ASP CA C 23 55.414 54.121 1.293 1
1 153 . 1 1 1 A 14 14 ASP CB C 23 42.288 42.014 0.274 1
1 154 . 1 1 1 A 14 14 ASP N N 23 121.813 121.353 0.460 1
1 155 . 1 1 1 A 15 15 ILE H H 24 8.603 8.572 0.031 1
1 156 . 1 1 1 A 15 15 ILE HA H 24 4.173 4.954 -0.781 1
1 166 . 1 1 1 A 15 15 ILE C C 24 174.920 174.101 0.819 1
1 167 . 1 1 1 A 15 15 ILE CA C 24 59.726 60.134 -0.408 1
1 168 . 1 1 1 A 15 15 ILE CB C 24 40.413 41.958 -1.545 1
1 172 . 1 1 1 A 15 15 ILE N N 24 123.686 123.149 0.537 1
1 173 . 1 1 1 A 16 16 HIS H H 25 8.581 8.795 -0.214 1
1 174 . 1 1 1 A 16 16 HIS HA H 25 4.685 5.112 -0.427 1
1 178 . 1 1 1 A 16 16 HIS C C 25 176.609 175.597 1.012 1
1 179 . 1 1 1 A 16 16 HIS CA C 25 56.913 53.791 3.122 1
1 180 . 1 1 1 A 16 16 HIS CB C 25 30.474 31.940 -1.466 1
1 182 . 1 1 1 A 16 16 HIS N N 25 123.042 120.967 2.075 1
1 183 . 1 1 1 A 17 17 THR H H 26 8.241 8.617 -0.376 1
1 184 . 1 1 1 A 17 17 THR HA H 26 4.303 3.950 0.353 1
1 189 . 1 1 1 A 17 17 THR C C 26 175.037 174.711 0.326 1
1 190 . 1 1 1 A 17 17 THR CA C 26 62.913 64.493 -1.580 1
1 191 . 1 1 1 A 17 17 THR CB C 26 68.912 68.465 0.447 1
1 193 . 1 1 1 A 17 17 THR N N 26 114.128 112.484 1.644 1
1 194 . 1 1 1 A 18 18 SER H H 27 8.160 7.532 0.628 1
1 195 . 1 1 1 A 18 18 SER HA H 27 4.514 4.206 0.308 1
1 198 . 1 1 1 A 18 18 SER C C 27 175.058 175.037 0.021 1
1 199 . 1 1 1 A 18 18 SER CA C 27 58.413 58.585 -0.172 1
1 200 . 1 1 1 A 18 18 SER CB C 27 63.100 63.629 -0.529 1
1 201 . 1 1 1 A 18 18 SER N N 27 116.330 117.561 -1.231 1
1 202 . 1 1 1 A 19 19 ARG H H 28 8.200 8.461 -0.261 1
1 203 . 1 1 1 A 19 19 ARG HA H 28 4.233 4.614 -0.381 1
1 210 . 1 1 1 A 19 19 ARG C C 28 176.463 177.712 -1.249 1
1 211 . 1 1 1 A 19 19 ARG CA C 28 57.293 56.120 1.173 1
1 212 . 1 1 1 A 19 19 ARG CB C 28 30.474 30.285 0.189 1
1 215 . 1 1 1 A 19 19 ARG N N 28 121.067 124.152 -3.085 1
1 216 . 1 1 1 A 20 20 VAL H H 29 7.789 7.558 0.231 1
1 217 . 1 1 1 A 20 20 VAL HA H 29 4.294 3.868 0.426 1
1 225 . 1 1 1 A 20 20 VAL C C 29 175.599 177.167 -1.568 1
1 226 . 1 1 1 A 20 20 VAL CA C 29 61.601 64.585 -2.984 1
1 227 . 1 1 1 A 20 20 VAL CB C 29 33.476 31.775 1.701 1
1 229 . 1 1 1 A 20 20 VAL N N 29 117.329 120.495 -3.166 1
1 230 . 1 1 1 A 21 21 VAL H H 30 8.068 7.505 0.563 1
1 231 . 1 1 1 A 21 21 VAL HA H 30 4.253 4.011 0.242 1
1 239 . 1 1 1 A 21 21 VAL C C 30 175.589 176.412 -0.823 1
1 240 . 1 1 1 A 21 21 VAL CA C 30 62.163 64.440 -2.277 1
1 241 . 1 1 1 A 21 21 VAL CB C 30 32.164 32.948 -0.784 1
1 244 . 1 1 1 A 21 21 VAL N N 30 121.049 119.396 1.653 1
1 245 . 1 1 1 A 22 22 ALA H H 31 8.303 7.019 1.284 1
1 246 . 1 1 1 A 22 22 ALA HA H 31 4.609 4.311 0.298 1
1 250 . 1 1 1 A 22 22 ALA C C 31 176.307 176.885 -0.578 1
1 251 . 1 1 1 A 22 22 ALA CA C 31 51.662 51.664 -0.002 1
1 252 . 1 1 1 A 22 22 ALA CB C 31 20.725 19.236 1.489 1
1 253 . 1 1 1 A 22 22 ALA N N 31 127.856 123.345 4.511 1
1 254 . 1 1 1 A 23 23 HIS H H 32 9.100 8.972 0.128 1
1 255 . 1 1 1 A 23 23 HIS HA H 32 4.488 4.605 -0.117 1
1 259 . 1 1 1 A 23 23 HIS C C 32 173.154 174.547 -1.393 1
1 260 . 1 1 1 A 23 23 HIS CA C 32 56.164 57.576 -1.412 1
1 261 . 1 1 1 A 23 23 HIS CB C 32 33.476 30.485 2.991 1
1 263 . 1 1 1 A 23 23 HIS N N 32 121.613 124.611 -2.998 1
1 264 . 1 1 1 A 24 24 VAL H H 33 7.498 8.221 -0.723 1
1 265 . 1 1 1 A 24 24 VAL HA H 33 4.130 4.353 -0.223 1
1 273 . 1 1 1 A 24 24 VAL C C 33 175.859 176.056 -0.197 1
1 274 . 1 1 1 A 24 24 VAL CA C 33 61.038 62.346 -1.308 1
1 275 . 1 1 1 A 24 24 VAL CB C 33 31.976 32.257 -0.281 1
1 278 . 1 1 1 A 24 24 VAL N N 33 126.760 125.281 1.479 1
1 279 . 1 1 1 A 25 25 LEU H H 34 8.426 8.944 -0.518 1
1 280 . 1 1 1 A 25 25 LEU HA H 34 4.461 4.528 -0.067 1
1 290 . 1 1 1 A 25 25 LEU CA C 34 54.661 53.643 1.018 1
1 291 . 1 1 1 A 25 25 LEU CB C 34 43.787 41.251 2.536 1
1 295 . 1 1 1 A 25 25 LEU N N 34 127.479 128.794 -1.315 1
1 296 . 1 1 1 A 26 26 PRO HA H 35 4.302 4.515 -0.213 1
1 303 . 1 1 1 A 26 26 PRO C C 35 176.494 177.293 -0.799 1
1 304 . 1 1 1 A 26 26 PRO CA C 35 65.350 64.393 0.957 1
1 305 . 1 1 1 A 26 26 PRO CB C 35 31.789 31.744 0.045 1
1 308 . 1 1 1 A 27 27 CYS H H 36 7.266 7.700 -0.434 1
1 309 . 1 1 1 A 27 27 CYS HA H 36 4.407 4.503 -0.096 1
1 312 . 1 1 1 A 27 27 CYS C C 36 176.016 174.632 1.384 1
1 313 . 1 1 1 A 27 27 CYS CA C 36 56.726 58.629 -1.903 1
1 314 . 1 1 1 A 27 27 CYS CB C 36 31.601 27.718 3.883 1
1 315 . 1 1 1 A 27 27 CYS N N 36 111.241 116.681 -5.440 1
1 316 . 1 1 1 A 28 28 GLY H H 37 8.211 8.244 -0.033 1
1 317 . 1 1 1 A 28 28 GLY HA2 H 37 4.122 3.770 0.352 1
1 318 . 1 1 1 A 28 28 GLY HA3 H 37 3.329 3.841 -0.512 1
1 319 . 1 1 1 A 28 28 GLY C C 37 173.903 174.534 -0.631 1
1 320 . 1 1 1 A 28 28 GLY CA C 37 44.725 45.372 -0.647 1
1 321 . 1 1 1 A 28 28 GLY N N 37 111.309 109.637 1.672 1
1 322 . 1 1 1 A 29 29 HIS H H 38 8.109 7.669 0.440 1
1 323 . 1 1 1 A 29 29 HIS HA H 38 4.622 4.598 0.024 1
1 327 . 1 1 1 A 29 29 HIS C C 38 173.029 174.593 -1.564 1
1 328 . 1 1 1 A 29 29 HIS CA C 38 59.351 56.097 3.254 1
1 329 . 1 1 1 A 29 29 HIS CB C 38 31.224 31.409 -0.185 1
1 331 . 1 1 1 A 29 29 HIS N N 38 121.624 118.804 2.820 1
1 332 . 1 1 1 A 30 30 LEU H H 39 8.923 8.517 0.406 1
1 333 . 1 1 1 A 30 30 LEU HA H 39 5.112 5.183 -0.071 1
1 343 . 1 1 1 A 30 30 LEU C C 39 176.380 175.578 0.802 1
1 344 . 1 1 1 A 30 30 LEU CA C 39 54.474 53.518 0.956 1
1 345 . 1 1 1 A 30 30 LEU CB C 39 45.662 44.762 0.900 1
1 349 . 1 1 1 A 30 30 LEU N N 39 120.785 121.125 -0.340 1
1 350 . 1 1 1 A 31 31 LEU H H 40 8.586 8.534 0.052 1
1 351 . 1 1 1 A 31 31 LEU HA H 40 5.144 4.747 0.397 1
1 361 . 1 1 1 A 31 31 LEU C C 40 177.701 175.548 2.153 1
1 362 . 1 1 1 A 31 31 LEU CA C 40 53.161 53.660 -0.499 1
1 363 . 1 1 1 A 31 31 LEU CB C 40 47.350 45.460 1.890 1
1 366 . 1 1 1 A 31 31 LEU N N 40 117.837 120.107 -2.270 1
1 367 . 1 1 1 A 32 32 HIS H H 41 7.726 7.931 -0.205 1
1 368 . 1 1 1 A 32 32 HIS HA H 41 4.693 4.638 0.055 1
1 372 . 1 1 1 A 32 32 HIS C C 41 176.994 176.371 0.623 1
1 373 . 1 1 1 A 32 32 HIS CA C 41 59.913 55.673 4.240 1
1 374 . 1 1 1 A 32 32 HIS CB C 41 31.036 31.219 -0.183 1
1 376 . 1 1 1 A 32 32 HIS N N 41 118.242 117.096 1.146 1
1 377 . 1 1 1 A 33 33 ARG H H 42 9.564 9.136 0.428 1
1 378 . 1 1 1 A 33 33 ARG HA H 42 4.055 3.929 0.126 1
1 385 . 1 1 1 A 33 33 ARG C C 42 178.388 178.278 0.110 1
1 386 . 1 1 1 A 33 33 ARG CA C 42 60.476 60.452 0.024 1
1 387 . 1 1 1 A 33 33 ARG CB C 42 29.536 30.171 -0.635 1
1 390 . 1 1 1 A 33 33 ARG N N 42 124.900 120.354 4.546 1
1 391 . 1 1 1 A 34 34 THR H H 43 8.386 8.409 -0.023 1
1 392 . 1 1 1 A 34 34 THR HA H 43 4.101 3.941 0.160 1
1 397 . 1 1 1 A 34 34 THR C C 43 177.285 177.130 0.155 1
1 398 . 1 1 1 A 34 34 THR CA C 43 64.788 66.533 -1.745 1
1 399 . 1 1 1 A 34 34 THR CB C 43 67.787 68.367 -0.580 1
1 401 . 1 1 1 A 34 34 THR N N 43 109.798 114.308 -4.510 1
1 402 . 1 1 1 A 35 35 CYS H H 44 6.825 8.421 -1.596 1
1 403 . 1 1 1 A 35 35 CYS HA H 44 4.066 4.674 -0.608 1
1 406 . 1 1 1 A 35 35 CYS C C 44 176.671 177.743 -1.072 1
1 407 . 1 1 1 A 35 35 CYS CA C 44 63.100 62.815 0.285 1
1 408 . 1 1 1 A 35 35 CYS CB C 44 28.787 27.049 1.738 1
1 409 . 1 1 1 A 35 35 CYS N N 44 123.057 119.297 3.760 1
1 410 . 1 1 1 A 36 36 TYR H H 45 8.484 8.081 0.403 1
1 411 . 1 1 1 A 36 36 TYR HA H 45 4.200 4.034 0.166 1
1 418 . 1 1 1 A 36 36 TYR C C 45 176.140 178.013 -1.873 1
1 419 . 1 1 1 A 36 36 TYR CA C 45 60.101 61.823 -1.722 1
1 420 . 1 1 1 A 36 36 TYR CB C 45 37.601 38.700 -1.099 1
1 423 . 1 1 1 A 36 36 TYR N N 45 119.972 123.434 -3.462 1
1 424 . 1 1 1 A 37 37 GLU H H 46 7.925 7.898 0.027 1
1 425 . 1 1 1 A 37 37 GLU HA H 46 3.546 3.636 -0.090 1
1 430 . 1 1 1 A 37 37 GLU C C 46 179.574 179.189 0.385 1
1 431 . 1 1 1 A 37 37 GLU CA C 46 59.351 59.682 -0.331 1
1 432 . 1 1 1 A 37 37 GLU CB C 46 28.787 29.413 -0.626 1
1 434 . 1 1 1 A 37 37 GLU N N 46 117.277 118.360 -1.083 1
1 435 . 1 1 1 A 38 38 GLU H H 47 7.598 8.288 -0.690 1
1 436 . 1 1 1 A 38 38 GLU HA H 47 4.041 4.033 0.008 1
1 441 . 1 1 1 A 38 38 GLU C C 47 177.743 179.152 -1.409 1
1 442 . 1 1 1 A 38 38 GLU CA C 47 58.788 59.285 -0.497 1
1 443 . 1 1 1 A 38 38 GLU CB C 47 29.349 29.253 0.096 1
1 445 . 1 1 1 A 38 38 GLU N N 47 119.258 120.483 -1.225 1
1 446 . 1 1 1 A 39 39 MET H H 48 7.918 8.258 -0.340 1
1 447 . 1 1 1 A 39 39 MET HA H 48 3.612 4.411 -0.799 1
1 452 . 1 1 1 A 39 39 MET C C 48 178.232 178.559 -0.327 1
1 453 . 1 1 1 A 39 39 MET CA C 48 58.226 58.502 -0.276 1
1 454 . 1 1 1 A 39 39 MET CB C 48 32.351 32.540 -0.189 1
1 456 . 1 1 1 A 39 39 MET N N 48 120.952 119.509 1.443 1
1 457 . 1 1 1 A 40 40 LEU H H 49 8.042 8.009 0.033 1
1 458 . 1 1 1 A 40 40 LEU HA H 49 3.867 3.961 -0.094 1
1 468 . 1 1 1 A 40 40 LEU C C 49 179.543 178.748 0.795 1
1 469 . 1 1 1 A 40 40 LEU CA C 49 56.726 57.449 -0.723 1
1 470 . 1 1 1 A 40 40 LEU CB C 49 41.913 41.156 0.757 1
1 474 . 1 1 1 A 40 40 LEU N N 49 119.191 121.031 -1.840 1
1 475 . 1 1 1 A 41 41 LYS H H 50 7.604 8.399 -0.795 1
1 476 . 1 1 1 A 41 41 LYS HA H 50 3.957 3.782 0.175 1
1 485 . 1 1 1 A 41 41 LYS C C 50 178.305 179.387 -1.082 1
1 486 . 1 1 1 A 41 41 LYS CA C 50 58.788 60.316 -1.528 1
1 487 . 1 1 1 A 41 41 LYS CB C 50 32.726 32.215 0.511 1
1 491 . 1 1 1 A 41 41 LYS N N 50 119.815 119.831 -0.016 1
1 492 . 1 1 1 A 42 42 GLU H H 51 7.972 7.726 0.246 1
1 493 . 1 1 1 A 42 42 GLU HA H 51 4.238 4.224 0.014 1
1 498 . 1 1 1 A 42 42 GLU C C 51 177.837 177.703 0.134 1
1 499 . 1 1 1 A 42 42 GLU CA C 51 56.913 57.934 -1.021 1
1 500 . 1 1 1 A 42 42 GLU CB C 51 30.660 30.033 0.627 1
1 502 . 1 1 1 A 42 42 GLU N N 51 116.691 117.184 -0.493 1
1 503 . 1 1 1 A 43 43 GLY H H 52 8.022 8.275 -0.253 1
1 504 . 1 1 1 A 43 43 GLY HA2 H 52 4.051 3.961 0.090 1
1 505 . 1 1 1 A 43 43 GLY HA3 H 52 3.778 3.973 -0.195 1
1 506 . 1 1 1 A 43 43 GLY C C 52 174.278 174.342 -0.064 1
1 507 . 1 1 1 A 43 43 GLY CA C 52 46.037 46.339 -0.302 1
1 508 . 1 1 1 A 43 43 GLY N N 52 108.181 107.772 0.409 1
1 509 . 1 1 1 A 44 44 TYR H H 53 7.184 8.050 -0.866 1
1 510 . 1 1 1 A 44 44 TYR HA H 53 4.787 4.567 0.220 1
1 517 . 1 1 1 A 44 44 TYR C C 53 174.725 175.166 -0.441 1
1 518 . 1 1 1 A 44 44 TYR CA C 53 55.976 57.678 -1.702 1
1 519 . 1 1 1 A 44 44 TYR CB C 53 38.913 39.545 -0.632 1
1 522 . 1 1 1 A 44 44 TYR N N 53 117.550 119.182 -1.632 1
1 523 . 1 1 1 A 45 45 ARG H H 54 7.969 8.413 -0.444 1
1 524 . 1 1 1 A 45 45 ARG HA H 54 4.412 4.214 0.198 1
1 531 . 1 1 1 A 45 45 ARG C C 54 174.902 175.827 -0.925 1
1 532 . 1 1 1 A 45 45 ARG CA C 54 54.849 56.849 -2.000 1
1 533 . 1 1 1 A 45 45 ARG CB C 54 32.164 30.205 1.959 1
1 536 . 1 1 1 A 45 45 ARG N N 54 120.614 120.219 0.395 1
1 537 . 1 1 1 A 46 46 CYS H H 55 8.579 8.599 -0.020 1
1 538 . 1 1 1 A 46 46 CYS HA H 55 4.236 4.181 0.055 1
1 541 . 1 1 1 A 46 46 CYS CA C 55 57.477 57.496 -0.019 1
1 542 . 1 1 1 A 46 46 CYS CB C 55 30.849 27.423 3.426 1
1 543 . 1 1 1 A 46 46 CYS N N 55 123.189 124.248 -1.059 1
1 544 . 1 1 1 A 47 47 PRO HA H 56 4.459 4.330 0.129 1
1 551 . 1 1 1 A 47 47 PRO C C 56 178.242 178.468 -0.226 1
1 552 . 1 1 1 A 47 47 PRO CA C 56 64.225 64.397 -0.172 1
1 553 . 1 1 1 A 47 47 PRO CB C 56 32.913 32.131 0.782 1
1 556 . 1 1 1 A 48 48 LEU H H 57 8.285 7.358 0.927 1
1 557 . 1 1 1 A 48 48 LEU HA H 57 4.191 3.998 0.193 1
1 567 . 1 1 1 A 48 48 LEU C C 57 178.783 178.790 -0.007 1
1 568 . 1 1 1 A 48 48 LEU CA C 57 55.789 57.032 -1.243 1
1 569 . 1 1 1 A 48 48 LEU CB C 57 41.163 40.593 0.570 1
1 573 . 1 1 1 A 48 48 LEU N N 57 119.589 116.856 2.733 1
1 574 . 1 1 1 A 49 49 CYS H H 58 7.949 7.552 0.397 1
1 575 . 1 1 1 A 49 49 CYS HA H 58 4.281 4.455 -0.174 1
1 578 . 1 1 1 A 49 49 CYS C C 58 176.088 176.071 0.017 1
1 579 . 1 1 1 A 49 49 CYS CA C 58 63.475 61.116 2.359 1
1 580 . 1 1 1 A 49 49 CYS CB C 58 30.099 26.509 3.590 1
1 581 . 1 1 1 A 49 49 CYS N N 58 123.132 118.084 5.048 1
1 582 . 1 1 1 A 50 50 MET H H 59 7.717 8.158 -0.441 1
1 583 . 1 1 1 A 50 50 MET HA H 59 4.332 4.400 -0.068 1
1 588 . 1 1 1 A 50 50 MET C C 59 175.870 175.261 0.609 1
1 589 . 1 1 1 A 50 50 MET CA C 59 55.601 56.284 -0.683 1
1 590 . 1 1 1 A 50 50 MET CB C 59 32.164 32.780 -0.616 1
1 592 . 1 1 1 A 50 50 MET N N 59 118.057 116.980 1.077 1
1 593 . 1 1 1 A 51 51 HIS H H 60 7.965 7.818 0.147 1
1 594 . 1 1 1 A 51 51 HIS HA H 60 4.709 4.875 -0.166 1
1 598 . 1 1 1 A 51 51 HIS C C 60 174.267 173.126 1.141 1
1 599 . 1 1 1 A 51 51 HIS CA C 60 55.601 54.212 1.389 1
1 600 . 1 1 1 A 51 51 HIS CB C 60 30.661 32.830 -2.169 1
1 602 . 1 1 1 A 51 51 HIS N N 60 119.437 119.834 -0.397 1
1 12 . 2 1 1 A 2 2 ASN H H 11 8.476 8.858 -0.382 1
1 13 . 2 1 1 A 2 2 ASN HA H 11 4.704 4.302 0.402 1
1 16 . 2 1 1 A 2 2 ASN C C 11 175.058 175.164 -0.106 1
1 17 . 2 1 1 A 2 2 ASN CA C 11 53.375 53.833 -0.458 1
1 18 . 2 1 1 A 2 2 ASN CB C 11 38.913 37.019 1.894 1
1 19 . 2 1 1 A 2 2 ASN N N 11 119.245 120.770 -1.525 1
1 20 . 2 1 1 A 3 3 VAL H H 12 8.023 8.215 -0.192 1
1 21 . 2 1 1 A 3 3 VAL HA H 12 4.171 4.530 -0.359 1
1 29 . 2 1 1 A 3 3 VAL C C 12 176.120 175.811 0.309 1
1 30 . 2 1 1 A 3 3 VAL CA C 12 61.975 60.849 1.126 1
1 31 . 2 1 1 A 3 3 VAL CB C 12 32.913 31.513 1.400 1
1 34 . 2 1 1 A 3 3 VAL N N 12 119.852 118.539 1.313 1
1 35 . 2 1 1 A 4 4 SER H H 13 8.384 7.577 0.807 1
1 36 . 2 1 1 A 4 4 SER HA H 13 4.452 4.531 -0.079 1
1 39 . 2 1 1 A 4 4 SER C C 13 174.153 173.610 0.543 1
1 40 . 2 1 1 A 4 4 SER CA C 13 58.226 58.788 -0.562 1
1 41 . 2 1 1 A 4 4 SER CB C 13 63.663 61.705 1.958 1
1 42 . 2 1 1 A 4 4 SER N N 13 119.429 120.049 -0.620 1
1 43 . 2 1 1 A 5 5 GLN H H 14 8.299 8.049 0.250 1
1 44 . 2 1 1 A 5 5 GLN HA H 14 4.332 4.586 -0.254 1
1 49 . 2 1 1 A 5 5 GLN C C 14 175.152 174.558 0.594 1
1 50 . 2 1 1 A 5 5 GLN CA C 14 56.164 55.968 0.196 1
1 51 . 2 1 1 A 5 5 GLN CB C 14 29.724 30.002 -0.278 1
1 53 . 2 1 1 A 5 5 GLN N N 14 123.721 125.181 -1.460 1
1 54 . 2 1 1 A 6 6 GLN H H 15 8.692 8.719 -0.027 1
1 55 . 2 1 1 A 6 6 GLN HA H 15 4.343 4.503 -0.160 1
1 60 . 2 1 1 A 6 6 GLN C C 15 175.193 174.697 0.496 1
1 61 . 2 1 1 A 6 6 GLN CA C 15 56.539 55.989 0.550 1
1 62 . 2 1 1 A 6 6 GLN CB C 15 30.474 30.307 0.167 1
1 64 . 2 1 1 A 6 6 GLN N N 15 124.240 125.799 -1.559 1
1 65 . 2 1 1 A 7 7 ASN H H 16 8.291 8.680 -0.389 1
1 66 . 2 1 1 A 7 7 ASN HA H 16 5.049 5.481 -0.432 1
1 69 . 2 1 1 A 7 7 ASN C C 16 175.141 173.737 1.404 1
1 70 . 2 1 1 A 7 7 ASN CA C 16 52.224 51.549 0.675 1
1 71 . 2 1 1 A 7 7 ASN CB C 16 40.600 42.144 -1.544 1
1 72 . 2 1 1 A 7 7 ASN N N 16 116.809 119.357 -2.548 1
1 73 . 2 1 1 A 8 8 CYS H H 17 8.737 9.100 -0.363 1
1 74 . 2 1 1 A 8 8 CYS HA H 17 4.584 4.539 0.045 1
1 77 . 2 1 1 A 8 8 CYS CA C 17 56.164 57.121 -0.957 1
1 78 . 2 1 1 A 8 8 CYS CB C 17 31.976 28.819 3.157 1
1 79 . 2 1 1 A 8 8 CYS N N 17 127.386 124.860 2.526 1
1 80 . 2 1 1 A 9 9 PRO HA H 18 4.457 4.524 -0.067 1
1 87 . 2 1 1 A 9 9 PRO C C 18 175.922 178.029 -2.107 1
1 88 . 2 1 1 A 9 9 PRO CA C 18 63.663 64.046 -0.383 1
1 89 . 2 1 1 A 9 9 PRO CB C 18 32.913 31.859 1.054 1
1 92 . 2 1 1 A 10 10 ILE H H 19 8.471 8.193 0.278 1
1 93 . 2 1 1 A 10 10 ILE HA H 19 4.171 3.983 0.188 1
1 103 . 2 1 1 A 10 10 ILE C C 19 175.891 177.260 -1.369 1
1 104 . 2 1 1 A 10 10 ILE CA C 19 62.350 63.612 -1.262 1
1 105 . 2 1 1 A 10 10 ILE CB C 19 37.226 37.947 -0.721 1
1 109 . 2 1 1 A 10 10 ILE N N 19 121.858 116.412 5.446 1
1 110 . 2 1 1 A 11 11 CYS H H 20 7.443 7.253 0.190 1
1 111 . 2 1 1 A 11 11 CYS HA H 20 4.841 4.669 0.172 1
1 114 . 2 1 1 A 11 11 CYS C C 20 175.683 174.882 0.801 1
1 115 . 2 1 1 A 11 11 CYS CA C 20 57.851 58.433 -0.582 1
1 116 . 2 1 1 A 11 11 CYS CB C 20 31.601 29.398 2.203 1
1 117 . 2 1 1 A 11 11 CYS N N 20 115.827 116.450 -0.623 1
1 118 . 2 1 1 A 12 12 LEU H H 21 7.940 7.685 0.255 1
1 119 . 2 1 1 A 12 12 LEU HA H 21 4.241 3.862 0.379 1
1 129 . 2 1 1 A 12 12 LEU C C 21 176.286 175.198 1.088 1
1 130 . 2 1 1 A 12 12 LEU CA C 21 56.726 56.135 0.591 1
1 131 . 2 1 1 A 12 12 LEU CB C 21 38.163 40.188 -2.025 1
1 135 . 2 1 1 A 12 12 LEU N N 21 118.743 117.983 0.760 1
1 136 . 2 1 1 A 13 13 GLU H H 22 8.545 7.631 0.914 1
1 137 . 2 1 1 A 13 13 GLU HA H 22 4.700 4.836 -0.136 1
1 142 . 2 1 1 A 13 13 GLU C C 22 176.910 174.808 2.102 1
1 143 . 2 1 1 A 13 13 GLU CA C 22 55.224 54.627 0.597 1
1 144 . 2 1 1 A 13 13 GLU CB C 22 31.414 33.541 -2.127 1
1 146 . 2 1 1 A 13 13 GLU N N 22 119.659 117.384 2.275 1
1 147 . 2 1 1 A 14 14 ASP H H 23 8.705 8.880 -0.175 1
1 148 . 2 1 1 A 14 14 ASP HA H 23 4.732 4.715 0.017 1
1 151 . 2 1 1 A 14 14 ASP C C 23 177.077 175.386 1.691 1
1 152 . 2 1 1 A 14 14 ASP CA C 23 55.414 54.223 1.191 1
1 153 . 2 1 1 A 14 14 ASP CB C 23 42.288 41.986 0.302 1
1 154 . 2 1 1 A 14 14 ASP N N 23 121.813 124.022 -2.209 1
1 155 . 2 1 1 A 15 15 ILE H H 24 8.603 8.578 0.025 1
1 156 . 2 1 1 A 15 15 ILE HA H 24 4.173 5.017 -0.844 1
1 166 . 2 1 1 A 15 15 ILE C C 24 174.920 173.739 1.181 1
1 167 . 2 1 1 A 15 15 ILE CA C 24 59.726 59.665 0.061 1
1 168 . 2 1 1 A 15 15 ILE CB C 24 40.413 42.148 -1.735 1
1 172 . 2 1 1 A 15 15 ILE N N 24 123.686 121.938 1.748 1
1 173 . 2 1 1 A 16 16 HIS H H 25 8.581 8.902 -0.321 1
1 174 . 2 1 1 A 16 16 HIS HA H 25 4.685 4.888 -0.203 1
1 178 . 2 1 1 A 16 16 HIS C C 25 176.609 176.074 0.535 1
1 179 . 2 1 1 A 16 16 HIS CA C 25 56.913 55.659 1.254 1
1 180 . 2 1 1 A 16 16 HIS CB C 25 30.474 31.483 -1.009 1
1 182 . 2 1 1 A 16 16 HIS N N 25 123.042 126.541 -3.499 1
1 183 . 2 1 1 A 17 17 THR H H 26 8.241 8.413 -0.172 1
1 184 . 2 1 1 A 17 17 THR HA H 26 4.303 4.183 0.120 1
1 189 . 2 1 1 A 17 17 THR C C 26 175.037 174.367 0.670 1
1 190 . 2 1 1 A 17 17 THR CA C 26 62.913 63.556 -0.643 1
1 191 . 2 1 1 A 17 17 THR CB C 26 68.912 69.178 -0.266 1
1 193 . 2 1 1 A 17 17 THR N N 26 114.128 117.466 -3.338 1
1 194 . 2 1 1 A 18 18 SER H H 27 8.160 7.759 0.401 1
1 195 . 2 1 1 A 18 18 SER HA H 27 4.514 4.311 0.203 1
1 198 . 2 1 1 A 18 18 SER C C 27 175.058 174.949 0.109 1
1 199 . 2 1 1 A 18 18 SER CA C 27 58.413 58.467 -0.054 1
1 200 . 2 1 1 A 18 18 SER CB C 27 63.100 64.076 -0.976 1
1 201 . 2 1 1 A 18 18 SER N N 27 116.330 117.712 -1.382 1
1 202 . 2 1 1 A 19 19 ARG H H 28 8.200 8.765 -0.565 1
1 203 . 2 1 1 A 19 19 ARG HA H 28 4.233 3.915 0.318 1
1 210 . 2 1 1 A 19 19 ARG C C 28 176.463 177.274 -0.811 1
1 211 . 2 1 1 A 19 19 ARG CA C 28 57.293 58.833 -1.540 1
1 212 . 2 1 1 A 19 19 ARG CB C 28 30.474 29.722 0.752 1
1 215 . 2 1 1 A 19 19 ARG N N 28 121.067 127.756 -6.689 1
1 216 . 2 1 1 A 20 20 VAL H H 29 7.789 8.136 -0.347 1
1 217 . 2 1 1 A 20 20 VAL HA H 29 4.294 3.856 0.438 1
1 225 . 2 1 1 A 20 20 VAL C C 29 175.599 176.912 -1.313 1
1 226 . 2 1 1 A 20 20 VAL CA C 29 61.601 64.677 -3.076 1
1 227 . 2 1 1 A 20 20 VAL CB C 29 33.476 31.525 1.951 1
1 229 . 2 1 1 A 20 20 VAL N N 29 117.329 118.305 -0.976 1
1 230 . 2 1 1 A 21 21 VAL H H 30 8.068 7.399 0.669 1
1 231 . 2 1 1 A 21 21 VAL HA H 30 4.253 4.198 0.055 1
1 239 . 2 1 1 A 21 21 VAL C C 30 175.589 175.102 0.487 1
1 240 . 2 1 1 A 21 21 VAL CA C 30 62.163 61.889 0.274 1
1 241 . 2 1 1 A 21 21 VAL CB C 30 32.164 32.749 -0.585 1
1 244 . 2 1 1 A 21 21 VAL N N 30 121.049 119.648 1.401 1
1 245 . 2 1 1 A 22 22 ALA H H 31 8.303 7.652 0.651 1
1 246 . 2 1 1 A 22 22 ALA HA H 31 4.609 4.973 -0.364 1
1 250 . 2 1 1 A 22 22 ALA C C 31 176.307 175.047 1.260 1
1 251 . 2 1 1 A 22 22 ALA CA C 31 51.662 50.531 1.131 1
1 252 . 2 1 1 A 22 22 ALA CB C 31 20.725 23.772 -3.047 1
1 253 . 2 1 1 A 22 22 ALA N N 31 127.856 122.398 5.458 1
1 254 . 2 1 1 A 23 23 HIS H H 32 9.100 9.215 -0.115 1
1 255 . 2 1 1 A 23 23 HIS HA H 32 4.488 5.041 -0.553 1
1 259 . 2 1 1 A 23 23 HIS C C 32 173.154 173.545 -0.391 1
1 260 . 2 1 1 A 23 23 HIS CA C 32 56.164 54.499 1.665 1
1 261 . 2 1 1 A 23 23 HIS CB C 32 33.476 32.484 0.992 1
1 263 . 2 1 1 A 23 23 HIS N N 32 121.613 119.561 2.052 1
1 264 . 2 1 1 A 24 24 VAL H H 33 7.498 8.415 -0.917 1
1 265 . 2 1 1 A 24 24 VAL HA H 33 4.130 4.567 -0.437 1
1 273 . 2 1 1 A 24 24 VAL C C 33 175.859 176.044 -0.185 1
1 274 . 2 1 1 A 24 24 VAL CA C 33 61.038 62.191 -1.153 1
1 275 . 2 1 1 A 24 24 VAL CB C 33 31.976 32.406 -0.430 1
1 278 . 2 1 1 A 24 24 VAL N N 33 126.760 125.730 1.030 1
1 279 . 2 1 1 A 25 25 LEU H H 34 8.426 8.979 -0.553 1
1 280 . 2 1 1 A 25 25 LEU HA H 34 4.461 4.572 -0.111 1
1 290 . 2 1 1 A 25 25 LEU CA C 34 54.661 53.577 1.084 1
1 291 . 2 1 1 A 25 25 LEU CB C 34 43.787 41.427 2.360 1
1 295 . 2 1 1 A 25 25 LEU N N 34 127.479 128.728 -1.249 1
1 296 . 2 1 1 A 26 26 PRO HA H 35 4.302 4.456 -0.154 1
1 303 . 2 1 1 A 26 26 PRO C C 35 176.494 177.436 -0.942 1
1 304 . 2 1 1 A 26 26 PRO CA C 35 65.350 64.379 0.971 1
1 305 . 2 1 1 A 26 26 PRO CB C 35 31.789 31.803 -0.014 1
1 308 . 2 1 1 A 27 27 CYS H H 36 7.266 7.666 -0.400 1
1 309 . 2 1 1 A 27 27 CYS HA H 36 4.407 4.454 -0.047 1
1 312 . 2 1 1 A 27 27 CYS C C 36 176.016 174.698 1.318 1
1 313 . 2 1 1 A 27 27 CYS CA C 36 56.726 58.657 -1.931 1
1 314 . 2 1 1 A 27 27 CYS CB C 36 31.601 27.682 3.919 1
1 315 . 2 1 1 A 27 27 CYS N N 36 111.241 116.063 -4.822 1
1 316 . 2 1 1 A 28 28 GLY H H 37 8.211 8.166 0.045 1
1 317 . 2 1 1 A 28 28 GLY HA2 H 37 4.122 3.754 0.368 1
1 318 . 2 1 1 A 28 28 GLY HA3 H 37 3.329 3.811 -0.482 1
1 319 . 2 1 1 A 28 28 GLY C C 37 173.903 174.459 -0.556 1
1 320 . 2 1 1 A 28 28 GLY CA C 37 44.725 45.812 -1.087 1
1 321 . 2 1 1 A 28 28 GLY N N 37 111.309 109.838 1.471 1
1 322 . 2 1 1 A 29 29 HIS H H 38 8.109 7.599 0.510 1
1 323 . 2 1 1 A 29 29 HIS HA H 38 4.622 4.715 -0.093 1
1 327 . 2 1 1 A 29 29 HIS C C 38 173.029 174.468 -1.439 1
1 328 . 2 1 1 A 29 29 HIS CA C 38 59.351 55.804 3.547 1
1 329 . 2 1 1 A 29 29 HIS CB C 38 31.224 32.299 -1.075 1
1 331 . 2 1 1 A 29 29 HIS N N 38 121.624 117.757 3.867 1
1 332 . 2 1 1 A 30 30 LEU H H 39 8.923 8.656 0.267 1
1 333 . 2 1 1 A 30 30 LEU HA H 39 5.112 5.210 -0.098 1
1 343 . 2 1 1 A 30 30 LEU C C 39 176.380 175.605 0.775 1
1 344 . 2 1 1 A 30 30 LEU CA C 39 54.474 53.574 0.900 1
1 345 . 2 1 1 A 30 30 LEU CB C 39 45.662 44.611 1.051 1
1 349 . 2 1 1 A 30 30 LEU N N 39 120.785 121.185 -0.400 1
1 350 . 2 1 1 A 31 31 LEU H H 40 8.586 8.656 -0.070 1
1 351 . 2 1 1 A 31 31 LEU HA H 40 5.144 4.758 0.386 1
1 361 . 2 1 1 A 31 31 LEU C C 40 177.701 175.560 2.141 1
1 362 . 2 1 1 A 31 31 LEU CA C 40 53.161 53.765 -0.604 1
1 363 . 2 1 1 A 31 31 LEU CB C 40 47.350 45.331 2.019 1
1 366 . 2 1 1 A 31 31 LEU N N 40 117.837 120.129 -2.292 1
1 367 . 2 1 1 A 32 32 HIS H H 41 7.726 7.823 -0.097 1
1 368 . 2 1 1 A 32 32 HIS HA H 41 4.693 4.673 0.020 1
1 372 . 2 1 1 A 32 32 HIS C C 41 176.994 176.392 0.602 1
1 373 . 2 1 1 A 32 32 HIS CA C 41 59.913 55.463 4.450 1
1 374 . 2 1 1 A 32 32 HIS CB C 41 31.036 31.431 -0.395 1
1 376 . 2 1 1 A 32 32 HIS N N 41 118.242 116.021 2.221 1
1 377 . 2 1 1 A 33 33 ARG H H 42 9.564 9.219 0.345 1
1 378 . 2 1 1 A 33 33 ARG HA H 42 4.055 3.929 0.126 1
1 385 . 2 1 1 A 33 33 ARG C C 42 178.388 178.138 0.250 1
1 386 . 2 1 1 A 33 33 ARG CA C 42 60.476 60.322 0.154 1
1 387 . 2 1 1 A 33 33 ARG CB C 42 29.536 30.137 -0.601 1
1 390 . 2 1 1 A 33 33 ARG N N 42 124.900 120.484 4.416 1
1 391 . 2 1 1 A 34 34 THR H H 43 8.386 8.343 0.043 1
1 392 . 2 1 1 A 34 34 THR HA H 43 4.101 4.119 -0.018 1
1 397 . 2 1 1 A 34 34 THR C C 43 177.285 177.255 0.030 1
1 398 . 2 1 1 A 34 34 THR CA C 43 64.788 65.352 -0.564 1
1 399 . 2 1 1 A 34 34 THR CB C 43 67.787 68.160 -0.373 1
1 401 . 2 1 1 A 34 34 THR N N 43 109.798 111.576 -1.778 1
1 402 . 2 1 1 A 35 35 CYS H H 44 6.825 8.378 -1.553 1
1 403 . 2 1 1 A 35 35 CYS HA H 44 4.066 4.235 -0.169 1
1 406 . 2 1 1 A 35 35 CYS C C 44 176.671 177.065 -0.394 1
1 407 . 2 1 1 A 35 35 CYS CA C 44 63.100 63.016 0.084 1
1 408 . 2 1 1 A 35 35 CYS CB C 44 28.787 27.254 1.533 1
1 409 . 2 1 1 A 35 35 CYS N N 44 123.057 120.520 2.537 1
1 410 . 2 1 1 A 36 36 TYR H H 45 8.484 8.362 0.122 1
1 411 . 2 1 1 A 36 36 TYR HA H 45 4.200 3.942 0.258 1
1 418 . 2 1 1 A 36 36 TYR C C 45 176.140 177.782 -1.642 1
1 419 . 2 1 1 A 36 36 TYR CA C 45 60.101 61.704 -1.603 1
1 420 . 2 1 1 A 36 36 TYR CB C 45 37.601 38.561 -0.960 1
1 423 . 2 1 1 A 36 36 TYR N N 45 119.972 122.963 -2.991 1
1 424 . 2 1 1 A 37 37 GLU H H 46 7.925 7.865 0.060 1
1 425 . 2 1 1 A 37 37 GLU HA H 46 3.546 3.630 -0.084 1
1 430 . 2 1 1 A 37 37 GLU C C 46 179.574 179.133 0.441 1
1 431 . 2 1 1 A 37 37 GLU CA C 46 59.351 59.712 -0.361 1
1 432 . 2 1 1 A 37 37 GLU CB C 46 28.787 29.094 -0.307 1
1 434 . 2 1 1 A 37 37 GLU N N 46 117.277 118.481 -1.204 1
1 435 . 2 1 1 A 38 38 GLU H H 47 7.598 8.378 -0.780 1
1 436 . 2 1 1 A 38 38 GLU HA H 47 4.041 4.035 0.006 1
1 441 . 2 1 1 A 38 38 GLU C C 47 177.743 178.876 -1.133 1
1 442 . 2 1 1 A 38 38 GLU CA C 47 58.788 58.965 -0.177 1
1 443 . 2 1 1 A 38 38 GLU CB C 47 29.349 29.346 0.003 1
1 445 . 2 1 1 A 38 38 GLU N N 47 119.258 120.809 -1.551 1
1 446 . 2 1 1 A 39 39 MET H H 48 7.918 8.037 -0.119 1
1 447 . 2 1 1 A 39 39 MET HA H 48 3.612 4.384 -0.772 1
1 452 . 2 1 1 A 39 39 MET C C 48 178.232 178.623 -0.391 1
1 453 . 2 1 1 A 39 39 MET CA C 48 58.226 58.252 -0.026 1
1 454 . 2 1 1 A 39 39 MET CB C 48 32.351 32.368 -0.017 1
1 456 . 2 1 1 A 39 39 MET N N 48 120.952 119.458 1.494 1
1 457 . 2 1 1 A 40 40 LEU H H 49 8.042 8.047 -0.005 1
1 458 . 2 1 1 A 40 40 LEU HA H 49 3.867 3.946 -0.079 1
1 468 . 2 1 1 A 40 40 LEU C C 49 179.543 178.282 1.261 1
1 469 . 2 1 1 A 40 40 LEU CA C 49 56.726 57.498 -0.772 1
1 470 . 2 1 1 A 40 40 LEU CB C 49 41.913 41.147 0.766 1
1 474 . 2 1 1 A 40 40 LEU N N 49 119.191 121.059 -1.868 1
1 475 . 2 1 1 A 41 41 LYS H H 50 7.604 8.259 -0.655 1
1 476 . 2 1 1 A 41 41 LYS HA H 50 3.957 3.889 0.068 1
1 485 . 2 1 1 A 41 41 LYS C C 50 178.305 178.933 -0.628 1
1 486 . 2 1 1 A 41 41 LYS CA C 50 58.788 59.912 -1.124 1
1 487 . 2 1 1 A 41 41 LYS CB C 50 32.726 32.395 0.331 1
1 491 . 2 1 1 A 41 41 LYS N N 50 119.815 119.250 0.565 1
1 492 . 2 1 1 A 42 42 GLU H H 51 7.972 7.677 0.295 1
1 493 . 2 1 1 A 42 42 GLU HA H 51 4.238 4.212 0.026 1
1 498 . 2 1 1 A 42 42 GLU C C 51 177.837 177.721 0.116 1
1 499 . 2 1 1 A 42 42 GLU CA C 51 56.913 57.433 -0.520 1
1 500 . 2 1 1 A 42 42 GLU CB C 51 30.660 30.049 0.611 1
1 502 . 2 1 1 A 42 42 GLU N N 51 116.691 116.223 0.468 1
1 503 . 2 1 1 A 43 43 GLY H H 52 8.022 8.434 -0.412 1
1 504 . 2 1 1 A 43 43 GLY HA2 H 52 4.051 3.925 0.126 1
1 505 . 2 1 1 A 43 43 GLY HA3 H 52 3.778 3.956 -0.178 1
1 506 . 2 1 1 A 43 43 GLY C C 52 174.278 173.943 0.335 1
1 507 . 2 1 1 A 43 43 GLY CA C 52 46.037 46.653 -0.616 1
1 508 . 2 1 1 A 43 43 GLY N N 52 108.181 107.825 0.356 1
1 509 . 2 1 1 A 44 44 TYR H H 53 7.184 7.920 -0.736 1
1 510 . 2 1 1 A 44 44 TYR HA H 53 4.787 5.055 -0.268 1
1 517 . 2 1 1 A 44 44 TYR C C 53 174.725 174.965 -0.240 1
1 518 . 2 1 1 A 44 44 TYR CA C 53 55.976 56.017 -0.041 1
1 519 . 2 1 1 A 44 44 TYR CB C 53 38.913 41.171 -2.258 1
1 522 . 2 1 1 A 44 44 TYR N N 53 117.550 116.865 0.685 1
1 523 . 2 1 1 A 45 45 ARG H H 54 7.969 8.551 -0.582 1
1 524 . 2 1 1 A 45 45 ARG HA H 54 4.412 4.289 0.123 1
1 531 . 2 1 1 A 45 45 ARG C C 54 174.902 175.874 -0.972 1
1 532 . 2 1 1 A 45 45 ARG CA C 54 54.849 56.726 -1.877 1
1 533 . 2 1 1 A 45 45 ARG CB C 54 32.164 30.466 1.698 1
1 536 . 2 1 1 A 45 45 ARG N N 54 120.614 119.468 1.146 1
1 537 . 2 1 1 A 46 46 CYS H H 55 8.579 8.538 0.041 1
1 538 . 2 1 1 A 46 46 CYS HA H 55 4.236 4.217 0.019 1
1 541 . 2 1 1 A 46 46 CYS CA C 55 57.477 57.742 -0.265 1
1 542 . 2 1 1 A 46 46 CYS CB C 55 30.849 27.579 3.270 1
1 543 . 2 1 1 A 46 46 CYS N N 55 123.189 124.003 -0.814 1
1 544 . 2 1 1 A 47 47 PRO HA H 56 4.459 4.411 0.048 1
1 551 . 2 1 1 A 47 47 PRO C C 56 178.242 178.088 0.154 1
1 552 . 2 1 1 A 47 47 PRO CA C 56 64.225 64.360 -0.135 1
1 553 . 2 1 1 A 47 47 PRO CB C 56 32.913 31.989 0.924 1
1 556 . 2 1 1 A 48 48 LEU H H 57 8.285 7.441 0.844 1
1 557 . 2 1 1 A 48 48 LEU HA H 57 4.191 4.558 -0.367 1
1 567 . 2 1 1 A 48 48 LEU C C 57 178.783 178.973 -0.190 1
1 568 . 2 1 1 A 48 48 LEU CA C 57 55.789 56.558 -0.769 1
1 569 . 2 1 1 A 48 48 LEU CB C 57 41.163 40.799 0.364 1
1 573 . 2 1 1 A 48 48 LEU N N 57 119.589 116.873 2.716 1
1 574 . 2 1 1 A 49 49 CYS H H 58 7.949 7.777 0.172 1
1 575 . 2 1 1 A 49 49 CYS HA H 58 4.281 4.476 -0.195 1
1 578 . 2 1 1 A 49 49 CYS C C 58 176.088 176.132 -0.044 1
1 579 . 2 1 1 A 49 49 CYS CA C 58 63.475 61.691 1.784 1
1 580 . 2 1 1 A 49 49 CYS CB C 58 30.099 27.129 2.970 1
1 581 . 2 1 1 A 49 49 CYS N N 58 123.132 117.843 5.289 1
1 582 . 2 1 1 A 50 50 MET H H 59 7.717 8.169 -0.452 1
1 583 . 2 1 1 A 50 50 MET HA H 59 4.332 4.628 -0.296 1
1 588 . 2 1 1 A 50 50 MET C C 59 175.870 176.131 -0.261 1
1 589 . 2 1 1 A 50 50 MET CA C 59 55.601 55.600 0.001 1
1 590 . 2 1 1 A 50 50 MET CB C 59 32.164 34.085 -1.921 1
1 592 . 2 1 1 A 50 50 MET N N 59 118.057 116.074 1.983 1
1 593 . 2 1 1 A 51 51 HIS H H 60 7.965 7.798 0.167 1
1 594 . 2 1 1 A 51 51 HIS HA H 60 4.709 5.322 -0.613 1
1 598 . 2 1 1 A 51 51 HIS C C 60 174.267 173.609 0.658 1
1 599 . 2 1 1 A 51 51 HIS CA C 60 55.601 54.689 0.912 1
1 600 . 2 1 1 A 51 51 HIS CB C 60 30.661 33.259 -2.598 1
1 602 . 2 1 1 A 51 51 HIS N N 60 119.437 118.209 1.228 1
1 12 . 3 1 1 A 2 2 ASN H H 11 8.476 8.028 0.448 1
1 13 . 3 1 1 A 2 2 ASN HA H 11 4.704 4.678 0.026 1
1 16 . 3 1 1 A 2 2 ASN C C 11 175.058 175.537 -0.479 1
1 17 . 3 1 1 A 2 2 ASN CA C 11 53.375 53.826 -0.451 1
1 18 . 3 1 1 A 2 2 ASN CB C 11 38.913 38.684 0.229 1
1 19 . 3 1 1 A 2 2 ASN N N 11 119.245 117.751 1.494 1
1 20 . 3 1 1 A 3 3 VAL H H 12 8.023 8.633 -0.610 1
1 21 . 3 1 1 A 3 3 VAL HA H 12 4.171 4.001 0.170 1
1 29 . 3 1 1 A 3 3 VAL C C 12 176.120 175.698 0.422 1
1 30 . 3 1 1 A 3 3 VAL CA C 12 61.975 63.094 -1.119 1
1 31 . 3 1 1 A 3 3 VAL CB C 12 32.913 31.075 1.838 1
1 34 . 3 1 1 A 3 3 VAL N N 12 119.852 126.231 -6.379 1
1 35 . 3 1 1 A 4 4 SER H H 13 8.384 8.702 -0.318 1
1 36 . 3 1 1 A 4 4 SER HA H 13 4.452 4.722 -0.270 1
1 39 . 3 1 1 A 4 4 SER C C 13 174.153 173.148 1.005 1
1 40 . 3 1 1 A 4 4 SER CA C 13 58.226 57.846 0.380 1
1 41 . 3 1 1 A 4 4 SER CB C 13 63.663 61.075 2.588 1
1 42 . 3 1 1 A 4 4 SER N N 13 119.429 125.235 -5.806 1
1 43 . 3 1 1 A 5 5 GLN H H 14 8.299 7.573 0.726 1
1 44 . 3 1 1 A 5 5 GLN HA H 14 4.332 4.689 -0.357 1
1 49 . 3 1 1 A 5 5 GLN C C 14 175.152 173.818 1.334 1
1 50 . 3 1 1 A 5 5 GLN CA C 14 56.164 55.298 0.866 1
1 51 . 3 1 1 A 5 5 GLN CB C 14 29.724 33.374 -3.650 1
1 53 . 3 1 1 A 5 5 GLN N N 14 123.721 124.116 -0.395 1
1 54 . 3 1 1 A 6 6 GLN H H 15 8.692 8.621 0.071 1
1 55 . 3 1 1 A 6 6 GLN HA H 15 4.343 4.616 -0.273 1
1 60 . 3 1 1 A 6 6 GLN C C 15 175.193 175.035 0.158 1
1 61 . 3 1 1 A 6 6 GLN CA C 15 56.539 55.376 1.163 1
1 62 . 3 1 1 A 6 6 GLN CB C 15 30.474 30.077 0.397 1
1 64 . 3 1 1 A 6 6 GLN N N 15 124.240 124.815 -0.575 1
1 65 . 3 1 1 A 7 7 ASN H H 16 8.291 9.126 -0.835 1
1 66 . 3 1 1 A 7 7 ASN HA H 16 5.049 5.398 -0.349 1
1 69 . 3 1 1 A 7 7 ASN C C 16 175.141 173.254 1.887 1
1 70 . 3 1 1 A 7 7 ASN CA C 16 52.224 51.722 0.502 1
1 71 . 3 1 1 A 7 7 ASN CB C 16 40.600 42.814 -2.214 1
1 72 . 3 1 1 A 7 7 ASN N N 16 116.809 119.002 -2.193 1
1 73 . 3 1 1 A 8 8 CYS H H 17 8.737 9.116 -0.379 1
1 74 . 3 1 1 A 8 8 CYS HA H 17 4.584 4.787 -0.203 1
1 77 . 3 1 1 A 8 8 CYS CA C 17 56.164 55.770 0.394 1
1 78 . 3 1 1 A 8 8 CYS CB C 17 31.976 29.483 2.493 1
1 79 . 3 1 1 A 8 8 CYS N N 17 127.386 119.593 7.793 1
1 80 . 3 1 1 A 9 9 PRO HA H 18 4.457 4.519 -0.062 1
1 87 . 3 1 1 A 9 9 PRO C C 18 175.922 177.912 -1.990 1
1 88 . 3 1 1 A 9 9 PRO CA C 18 63.663 63.985 -0.322 1
1 89 . 3 1 1 A 9 9 PRO CB C 18 32.913 32.042 0.871 1
1 92 . 3 1 1 A 10 10 ILE H H 19 8.471 7.922 0.549 1
1 93 . 3 1 1 A 10 10 ILE HA H 19 4.171 3.897 0.274 1
1 103 . 3 1 1 A 10 10 ILE C C 19 175.891 177.535 -1.644 1
1 104 . 3 1 1 A 10 10 ILE CA C 19 62.350 64.168 -1.818 1
1 105 . 3 1 1 A 10 10 ILE CB C 19 37.226 38.006 -0.780 1
1 109 . 3 1 1 A 10 10 ILE N N 19 121.858 116.661 5.197 1
1 110 . 3 1 1 A 11 11 CYS H H 20 7.443 7.811 -0.368 1
1 111 . 3 1 1 A 11 11 CYS HA H 20 4.841 4.617 0.224 1
1 114 . 3 1 1 A 11 11 CYS C C 20 175.683 174.678 1.005 1
1 115 . 3 1 1 A 11 11 CYS CA C 20 57.851 58.032 -0.181 1
1 116 . 3 1 1 A 11 11 CYS CB C 20 31.601 28.539 3.062 1
1 117 . 3 1 1 A 11 11 CYS N N 20 115.827 115.183 0.644 1
1 118 . 3 1 1 A 12 12 LEU H H 21 7.940 7.977 -0.037 1
1 119 . 3 1 1 A 12 12 LEU HA H 21 4.241 3.977 0.264 1
1 129 . 3 1 1 A 12 12 LEU C C 21 176.286 175.277 1.009 1
1 130 . 3 1 1 A 12 12 LEU CA C 21 56.726 56.038 0.688 1
1 131 . 3 1 1 A 12 12 LEU CB C 21 38.163 40.393 -2.230 1
1 135 . 3 1 1 A 12 12 LEU N N 21 118.743 118.033 0.710 1
1 136 . 3 1 1 A 13 13 GLU H H 22 8.545 8.153 0.392 1
1 137 . 3 1 1 A 13 13 GLU HA H 22 4.700 4.750 -0.050 1
1 142 . 3 1 1 A 13 13 GLU C C 22 176.910 174.150 2.760 1
1 143 . 3 1 1 A 13 13 GLU CA C 22 55.224 55.292 -0.068 1
1 144 . 3 1 1 A 13 13 GLU CB C 22 31.414 33.249 -1.835 1
1 146 . 3 1 1 A 13 13 GLU N N 22 119.659 119.211 0.448 1
1 147 . 3 1 1 A 14 14 ASP H H 23 8.705 8.652 0.053 1
1 148 . 3 1 1 A 14 14 ASP HA H 23 4.732 4.988 -0.256 1
1 151 . 3 1 1 A 14 14 ASP C C 23 177.077 175.647 1.430 1
1 152 . 3 1 1 A 14 14 ASP CA C 23 55.414 54.017 1.397 1
1 153 . 3 1 1 A 14 14 ASP CB C 23 42.288 42.134 0.154 1
1 154 . 3 1 1 A 14 14 ASP N N 23 121.813 121.126 0.687 1
1 155 . 3 1 1 A 15 15 ILE H H 24 8.603 8.248 0.355 1
1 156 . 3 1 1 A 15 15 ILE HA H 24 4.173 4.830 -0.657 1
1 166 . 3 1 1 A 15 15 ILE C C 24 174.920 175.408 -0.488 1
1 167 . 3 1 1 A 15 15 ILE CA C 24 59.726 60.736 -1.010 1
1 168 . 3 1 1 A 15 15 ILE CB C 24 40.413 40.467 -0.054 1
1 172 . 3 1 1 A 15 15 ILE N N 24 123.686 124.479 -0.793 1
1 173 . 3 1 1 A 16 16 HIS H H 25 8.581 9.197 -0.616 1
1 174 . 3 1 1 A 16 16 HIS HA H 25 4.685 5.245 -0.560 1
1 178 . 3 1 1 A 16 16 HIS C C 25 176.609 176.660 -0.051 1
1 179 . 3 1 1 A 16 16 HIS CA C 25 56.913 55.806 1.107 1
1 180 . 3 1 1 A 16 16 HIS CB C 25 30.474 30.862 -0.388 1
1 182 . 3 1 1 A 16 16 HIS N N 25 123.042 127.195 -4.153 1
1 183 . 3 1 1 A 17 17 THR H H 26 8.241 8.862 -0.621 1
1 184 . 3 1 1 A 17 17 THR HA H 26 4.303 3.940 0.363 1
1 189 . 3 1 1 A 17 17 THR C C 26 175.037 175.260 -0.223 1
1 190 . 3 1 1 A 17 17 THR CA C 26 62.913 65.593 -2.680 1
1 191 . 3 1 1 A 17 17 THR CB C 26 68.912 68.627 0.285 1
1 193 . 3 1 1 A 17 17 THR N N 26 114.128 117.009 -2.881 1
1 194 . 3 1 1 A 18 18 SER H H 27 8.160 7.507 0.653 1
1 195 . 3 1 1 A 18 18 SER HA H 27 4.514 4.204 0.310 1
1 198 . 3 1 1 A 18 18 SER C C 27 175.058 174.258 0.800 1
1 199 . 3 1 1 A 18 18 SER CA C 27 58.413 60.362 -1.949 1
1 200 . 3 1 1 A 18 18 SER CB C 27 63.100 63.138 -0.038 1
1 201 . 3 1 1 A 18 18 SER N N 27 116.330 116.619 -0.289 1
1 202 . 3 1 1 A 19 19 ARG H H 28 8.200 8.663 -0.463 1
1 203 . 3 1 1 A 19 19 ARG HA H 28 4.233 3.908 0.325 1
1 210 . 3 1 1 A 19 19 ARG C C 28 176.463 177.841 -1.378 1
1 211 . 3 1 1 A 19 19 ARG CA C 28 57.293 58.665 -1.372 1
1 212 . 3 1 1 A 19 19 ARG CB C 28 30.474 29.698 0.776 1
1 215 . 3 1 1 A 19 19 ARG N N 28 121.067 127.488 -6.421 1
1 216 . 3 1 1 A 20 20 VAL H H 29 7.789 7.708 0.081 1
1 217 . 3 1 1 A 20 20 VAL HA H 29 4.294 3.772 0.522 1
1 225 . 3 1 1 A 20 20 VAL C C 29 175.599 177.668 -2.069 1
1 226 . 3 1 1 A 20 20 VAL CA C 29 61.601 65.558 -3.957 1
1 227 . 3 1 1 A 20 20 VAL CB C 29 33.476 31.788 1.688 1
1 229 . 3 1 1 A 20 20 VAL N N 29 117.329 119.053 -1.724 1
1 230 . 3 1 1 A 21 21 VAL H H 30 8.068 7.265 0.803 1
1 231 . 3 1 1 A 21 21 VAL HA H 30 4.253 4.070 0.183 1
1 239 . 3 1 1 A 21 21 VAL C C 30 175.589 176.520 -0.931 1
1 240 . 3 1 1 A 21 21 VAL CA C 30 62.163 64.108 -1.945 1
1 241 . 3 1 1 A 21 21 VAL CB C 30 32.164 33.146 -0.982 1
1 244 . 3 1 1 A 21 21 VAL N N 30 121.049 116.659 4.390 1
1 245 . 3 1 1 A 22 22 ALA H H 31 8.303 7.564 0.739 1
1 246 . 3 1 1 A 22 22 ALA HA H 31 4.609 4.340 0.269 1
1 250 . 3 1 1 A 22 22 ALA C C 31 176.307 176.816 -0.509 1
1 251 . 3 1 1 A 22 22 ALA CA C 31 51.662 51.389 0.273 1
1 252 . 3 1 1 A 22 22 ALA CB C 31 20.725 18.803 1.922 1
1 253 . 3 1 1 A 22 22 ALA N N 31 127.856 123.619 4.237 1
1 254 . 3 1 1 A 23 23 HIS H H 32 9.100 9.085 0.015 1
1 255 . 3 1 1 A 23 23 HIS HA H 32 4.488 4.478 0.010 1
1 259 . 3 1 1 A 23 23 HIS C C 32 173.154 174.541 -1.387 1
1 260 . 3 1 1 A 23 23 HIS CA C 32 56.164 57.502 -1.338 1
1 261 . 3 1 1 A 23 23 HIS CB C 32 33.476 30.370 3.106 1
1 263 . 3 1 1 A 23 23 HIS N N 32 121.613 125.722 -4.109 1
1 264 . 3 1 1 A 24 24 VAL H H 33 7.498 8.249 -0.751 1
1 265 . 3 1 1 A 24 24 VAL HA H 33 4.130 4.408 -0.278 1
1 273 . 3 1 1 A 24 24 VAL C C 33 175.859 176.020 -0.161 1
1 274 . 3 1 1 A 24 24 VAL CA C 33 61.038 62.346 -1.308 1
1 275 . 3 1 1 A 24 24 VAL CB C 33 31.976 32.091 -0.115 1
1 278 . 3 1 1 A 24 24 VAL N N 33 126.760 125.375 1.385 1
1 279 . 3 1 1 A 25 25 LEU H H 34 8.426 8.979 -0.553 1
1 280 . 3 1 1 A 25 25 LEU HA H 34 4.461 4.577 -0.116 1
1 290 . 3 1 1 A 25 25 LEU CA C 34 54.661 53.652 1.009 1
1 291 . 3 1 1 A 25 25 LEU CB C 34 43.787 41.436 2.351 1
1 295 . 3 1 1 A 25 25 LEU N N 34 127.479 129.014 -1.535 1
1 296 . 3 1 1 A 26 26 PRO HA H 35 4.302 4.282 0.020 1
1 303 . 3 1 1 A 26 26 PRO C C 35 176.494 177.428 -0.934 1
1 304 . 3 1 1 A 26 26 PRO CA C 35 65.350 64.979 0.371 1
1 305 . 3 1 1 A 26 26 PRO CB C 35 31.789 31.836 -0.047 1
1 308 . 3 1 1 A 27 27 CYS H H 36 7.266 7.670 -0.404 1
1 309 . 3 1 1 A 27 27 CYS HA H 36 4.407 4.453 -0.046 1
1 312 . 3 1 1 A 27 27 CYS C C 36 176.016 174.765 1.251 1
1 313 . 3 1 1 A 27 27 CYS CA C 36 56.726 58.787 -2.061 1
1 314 . 3 1 1 A 27 27 CYS CB C 36 31.601 27.718 3.883 1
1 315 . 3 1 1 A 27 27 CYS N N 36 111.241 116.162 -4.921 1
1 316 . 3 1 1 A 28 28 GLY H H 37 8.211 8.237 -0.026 1
1 317 . 3 1 1 A 28 28 GLY HA2 H 37 4.122 3.741 0.381 1
1 318 . 3 1 1 A 28 28 GLY HA3 H 37 3.329 3.804 -0.475 1
1 319 . 3 1 1 A 28 28 GLY C C 37 173.903 174.390 -0.487 1
1 320 . 3 1 1 A 28 28 GLY CA C 37 44.725 45.711 -0.986 1
1 321 . 3 1 1 A 28 28 GLY N N 37 111.309 109.659 1.650 1
1 322 . 3 1 1 A 29 29 HIS H H 38 8.109 7.617 0.492 1
1 323 . 3 1 1 A 29 29 HIS HA H 38 4.622 4.705 -0.083 1
1 327 . 3 1 1 A 29 29 HIS C C 38 173.029 174.366 -1.337 1
1 328 . 3 1 1 A 29 29 HIS CA C 38 59.351 55.759 3.592 1
1 329 . 3 1 1 A 29 29 HIS CB C 38 31.224 32.138 -0.914 1
1 331 . 3 1 1 A 29 29 HIS N N 38 121.624 117.690 3.934 1
1 332 . 3 1 1 A 30 30 LEU H H 39 8.923 8.767 0.156 1
1 333 . 3 1 1 A 30 30 LEU HA H 39 5.112 5.366 -0.254 1
1 343 . 3 1 1 A 30 30 LEU C C 39 176.380 175.464 0.916 1
1 344 . 3 1 1 A 30 30 LEU CA C 39 54.474 53.357 1.117 1
1 345 . 3 1 1 A 30 30 LEU CB C 39 45.662 44.773 0.889 1
1 349 . 3 1 1 A 30 30 LEU N N 39 120.785 120.972 -0.187 1
1 350 . 3 1 1 A 31 31 LEU H H 40 8.586 8.642 -0.056 1
1 351 . 3 1 1 A 31 31 LEU HA H 40 5.144 4.752 0.392 1
1 361 . 3 1 1 A 31 31 LEU C C 40 177.701 175.562 2.139 1
1 362 . 3 1 1 A 31 31 LEU CA C 40 53.161 53.822 -0.661 1
1 363 . 3 1 1 A 31 31 LEU CB C 40 47.350 45.244 2.106 1
1 366 . 3 1 1 A 31 31 LEU N N 40 117.837 121.356 -3.519 1
1 367 . 3 1 1 A 32 32 HIS H H 41 7.726 7.865 -0.139 1
1 368 . 3 1 1 A 32 32 HIS HA H 41 4.693 4.676 0.017 1
1 372 . 3 1 1 A 32 32 HIS C C 41 176.994 176.384 0.610 1
1 373 . 3 1 1 A 32 32 HIS CA C 41 59.913 55.482 4.431 1
1 374 . 3 1 1 A 32 32 HIS CB C 41 31.036 31.269 -0.233 1
1 376 . 3 1 1 A 32 32 HIS N N 41 118.242 115.996 2.246 1
1 377 . 3 1 1 A 33 33 ARG H H 42 9.564 9.138 0.426 1
1 378 . 3 1 1 A 33 33 ARG HA H 42 4.055 3.909 0.146 1
1 385 . 3 1 1 A 33 33 ARG C C 42 178.388 178.306 0.082 1
1 386 . 3 1 1 A 33 33 ARG CA C 42 60.476 60.297 0.179 1
1 387 . 3 1 1 A 33 33 ARG CB C 42 29.536 30.197 -0.661 1
1 390 . 3 1 1 A 33 33 ARG N N 42 124.900 120.343 4.557 1
1 391 . 3 1 1 A 34 34 THR H H 43 8.386 8.394 -0.008 1
1 392 . 3 1 1 A 34 34 THR HA H 43 4.101 3.942 0.159 1
1 397 . 3 1 1 A 34 34 THR C C 43 177.285 177.063 0.222 1
1 398 . 3 1 1 A 34 34 THR CA C 43 64.788 66.790 -2.002 1
1 399 . 3 1 1 A 34 34 THR CB C 43 67.787 68.534 -0.747 1
1 401 . 3 1 1 A 34 34 THR N N 43 109.798 114.181 -4.383 1
1 402 . 3 1 1 A 35 35 CYS H H 44 6.825 8.472 -1.647 1
1 403 . 3 1 1 A 35 35 CYS HA H 44 4.066 4.273 -0.207 1
1 406 . 3 1 1 A 35 35 CYS C C 44 176.671 177.131 -0.460 1
1 407 . 3 1 1 A 35 35 CYS CA C 44 63.100 63.030 0.070 1
1 408 . 3 1 1 A 35 35 CYS CB C 44 28.787 27.382 1.405 1
1 409 . 3 1 1 A 35 35 CYS N N 44 123.057 118.704 4.353 1
1 410 . 3 1 1 A 36 36 TYR H H 45 8.484 8.254 0.230 1
1 411 . 3 1 1 A 36 36 TYR HA H 45 4.200 4.034 0.166 1
1 418 . 3 1 1 A 36 36 TYR C C 45 176.140 177.575 -1.435 1
1 419 . 3 1 1 A 36 36 TYR CA C 45 60.101 61.246 -1.145 1
1 420 . 3 1 1 A 36 36 TYR CB C 45 37.601 38.391 -0.790 1
1 423 . 3 1 1 A 36 36 TYR N N 45 119.972 123.028 -3.056 1
1 424 . 3 1 1 A 37 37 GLU H H 46 7.925 8.121 -0.196 1
1 425 . 3 1 1 A 37 37 GLU HA H 46 3.546 3.502 0.044 1
1 430 . 3 1 1 A 37 37 GLU C C 46 179.574 179.104 0.470 1
1 431 . 3 1 1 A 37 37 GLU CA C 46 59.351 59.607 -0.256 1
1 432 . 3 1 1 A 37 37 GLU CB C 46 28.787 29.240 -0.453 1
1 434 . 3 1 1 A 37 37 GLU N N 46 117.277 118.339 -1.062 1
1 435 . 3 1 1 A 38 38 GLU H H 47 7.598 8.009 -0.411 1
1 436 . 3 1 1 A 38 38 GLU HA H 47 4.041 4.020 0.021 1
1 441 . 3 1 1 A 38 38 GLU C C 47 177.743 178.903 -1.160 1
1 442 . 3 1 1 A 38 38 GLU CA C 47 58.788 59.266 -0.478 1
1 443 . 3 1 1 A 38 38 GLU CB C 47 29.349 29.300 0.049 1
1 445 . 3 1 1 A 38 38 GLU N N 47 119.258 120.648 -1.390 1
1 446 . 3 1 1 A 39 39 MET H H 48 7.918 7.684 0.234 1
1 447 . 3 1 1 A 39 39 MET HA H 48 3.612 4.291 -0.679 1
1 452 . 3 1 1 A 39 39 MET C C 48 178.232 178.470 -0.238 1
1 453 . 3 1 1 A 39 39 MET CA C 48 58.226 58.454 -0.228 1
1 454 . 3 1 1 A 39 39 MET CB C 48 32.351 32.006 0.345 1
1 456 . 3 1 1 A 39 39 MET N N 48 120.952 119.190 1.762 1
1 457 . 3 1 1 A 40 40 LEU H H 49 8.042 7.777 0.265 1
1 458 . 3 1 1 A 40 40 LEU HA H 49 3.867 3.955 -0.088 1
1 468 . 3 1 1 A 40 40 LEU C C 49 179.543 178.307 1.236 1
1 469 . 3 1 1 A 40 40 LEU CA C 49 56.726 57.610 -0.884 1
1 470 . 3 1 1 A 40 40 LEU CB C 49 41.913 40.856 1.057 1
1 474 . 3 1 1 A 40 40 LEU N N 49 119.191 121.071 -1.880 1
1 475 . 3 1 1 A 41 41 LYS H H 50 7.604 8.390 -0.786 1
1 476 . 3 1 1 A 41 41 LYS HA H 50 3.957 3.838 0.119 1
1 485 . 3 1 1 A 41 41 LYS C C 50 178.305 179.029 -0.724 1
1 486 . 3 1 1 A 41 41 LYS CA C 50 58.788 59.092 -0.304 1
1 487 . 3 1 1 A 41 41 LYS CB C 50 32.726 31.973 0.753 1
1 491 . 3 1 1 A 41 41 LYS N N 50 119.815 119.131 0.684 1
1 492 . 3 1 1 A 42 42 GLU H H 51 7.972 7.702 0.270 1
1 493 . 3 1 1 A 42 42 GLU HA H 51 4.238 4.191 0.047 1
1 498 . 3 1 1 A 42 42 GLU C C 51 177.837 177.408 0.429 1
1 499 . 3 1 1 A 42 42 GLU CA C 51 56.913 58.040 -1.127 1
1 500 . 3 1 1 A 42 42 GLU CB C 51 30.660 30.284 0.376 1
1 502 . 3 1 1 A 42 42 GLU N N 51 116.691 116.323 0.368 1
1 503 . 3 1 1 A 43 43 GLY H H 52 8.022 8.310 -0.288 1
1 504 . 3 1 1 A 43 43 GLY HA2 H 52 4.051 3.879 0.172 1
1 505 . 3 1 1 A 43 43 GLY HA3 H 52 3.778 3.931 -0.153 1
1 506 . 3 1 1 A 43 43 GLY C C 52 174.278 174.364 -0.086 1
1 507 . 3 1 1 A 43 43 GLY CA C 52 46.037 45.580 0.457 1
1 508 . 3 1 1 A 43 43 GLY N N 52 108.181 107.398 0.783 1
1 509 . 3 1 1 A 44 44 TYR H H 53 7.184 7.918 -0.734 1
1 510 . 3 1 1 A 44 44 TYR HA H 53 4.787 4.566 0.221 1
1 517 . 3 1 1 A 44 44 TYR C C 53 174.725 175.306 -0.581 1
1 518 . 3 1 1 A 44 44 TYR CA C 53 55.976 57.652 -1.676 1
1 519 . 3 1 1 A 44 44 TYR CB C 53 38.913 39.654 -0.741 1
1 522 . 3 1 1 A 44 44 TYR N N 53 117.550 119.567 -2.017 1
1 523 . 3 1 1 A 45 45 ARG H H 54 7.969 8.529 -0.560 1
1 524 . 3 1 1 A 45 45 ARG HA H 54 4.412 4.237 0.175 1
1 531 . 3 1 1 A 45 45 ARG C C 54 174.902 175.932 -1.030 1
1 532 . 3 1 1 A 45 45 ARG CA C 54 54.849 57.045 -2.196 1
1 533 . 3 1 1 A 45 45 ARG CB C 54 32.164 30.246 1.918 1
1 536 . 3 1 1 A 45 45 ARG N N 54 120.614 120.079 0.535 1
1 537 . 3 1 1 A 46 46 CYS H H 55 8.579 8.601 -0.022 1
1 538 . 3 1 1 A 46 46 CYS HA H 55 4.236 4.272 -0.036 1
1 541 . 3 1 1 A 46 46 CYS CA C 55 57.477 57.795 -0.318 1
1 542 . 3 1 1 A 46 46 CYS CB C 55 30.849 27.578 3.271 1
1 543 . 3 1 1 A 46 46 CYS N N 55 123.189 123.729 -0.540 1
1 544 . 3 1 1 A 47 47 PRO HA H 56 4.459 4.412 0.047 1
1 551 . 3 1 1 A 47 47 PRO C C 56 178.242 178.608 -0.366 1
1 552 . 3 1 1 A 47 47 PRO CA C 56 64.225 64.934 -0.709 1
1 553 . 3 1 1 A 47 47 PRO CB C 56 32.913 32.171 0.742 1
1 556 . 3 1 1 A 48 48 LEU H H 57 8.285 7.430 0.855 1
1 557 . 3 1 1 A 48 48 LEU HA H 57 4.191 4.453 -0.262 1
1 567 . 3 1 1 A 48 48 LEU C C 57 178.783 179.523 -0.740 1
1 568 . 3 1 1 A 48 48 LEU CA C 57 55.789 56.858 -1.069 1
1 569 . 3 1 1 A 48 48 LEU CB C 57 41.163 40.567 0.596 1
1 573 . 3 1 1 A 48 48 LEU N N 57 119.589 117.066 2.523 1
1 574 . 3 1 1 A 49 49 CYS H H 58 7.949 7.785 0.164 1
1 575 . 3 1 1 A 49 49 CYS HA H 58 4.281 4.423 -0.142 1
1 578 . 3 1 1 A 49 49 CYS C C 58 176.088 175.972 0.116 1
1 579 . 3 1 1 A 49 49 CYS CA C 58 63.475 62.562 0.913 1
1 580 . 3 1 1 A 49 49 CYS CB C 58 30.099 27.562 2.537 1
1 581 . 3 1 1 A 49 49 CYS N N 58 123.132 118.200 4.932 1
1 582 . 3 1 1 A 50 50 MET H H 59 7.717 8.163 -0.446 1
1 583 . 3 1 1 A 50 50 MET HA H 59 4.332 4.641 -0.309 1
1 588 . 3 1 1 A 50 50 MET C C 59 175.870 175.534 0.336 1
1 589 . 3 1 1 A 50 50 MET CA C 59 55.601 55.514 0.087 1
1 590 . 3 1 1 A 50 50 MET CB C 59 32.164 33.835 -1.671 1
1 592 . 3 1 1 A 50 50 MET N N 59 118.057 117.086 0.971 1
1 593 . 3 1 1 A 51 51 HIS H H 60 7.965 8.033 -0.068 1
1 594 . 3 1 1 A 51 51 HIS HA H 60 4.709 5.285 -0.576 1
1 598 . 3 1 1 A 51 51 HIS C C 60 174.267 174.131 0.136 1
1 599 . 3 1 1 A 51 51 HIS CA C 60 55.601 54.497 1.104 1
1 600 . 3 1 1 A 51 51 HIS CB C 60 30.661 34.114 -3.453 1
1 602 . 3 1 1 A 51 51 HIS N N 60 119.437 116.787 2.650 1
1 12 . 4 1 1 A 2 2 ASN H H 11 8.476 8.724 -0.248 1
1 13 . 4 1 1 A 2 2 ASN HA H 11 4.704 5.212 -0.508 1
1 16 . 4 1 1 A 2 2 ASN C C 11 175.058 175.757 -0.699 1
1 17 . 4 1 1 A 2 2 ASN CA C 11 53.375 52.489 0.886 1
1 18 . 4 1 1 A 2 2 ASN CB C 11 38.913 38.981 -0.068 1
1 19 . 4 1 1 A 2 2 ASN N N 11 119.245 125.071 -5.826 1
1 20 . 4 1 1 A 3 3 VAL H H 12 8.023 7.567 0.456 1
1 21 . 4 1 1 A 3 3 VAL HA H 12 4.171 4.106 0.065 1
1 29 . 4 1 1 A 3 3 VAL C C 12 176.120 177.543 -1.423 1
1 30 . 4 1 1 A 3 3 VAL CA C 12 61.975 64.489 -2.514 1
1 31 . 4 1 1 A 3 3 VAL CB C 12 32.913 31.719 1.194 1
1 34 . 4 1 1 A 3 3 VAL N N 12 119.852 120.110 -0.258 1
1 35 . 4 1 1 A 4 4 SER H H 13 8.384 7.868 0.516 1
1 36 . 4 1 1 A 4 4 SER HA H 13 4.452 4.419 0.033 1
1 39 . 4 1 1 A 4 4 SER C C 13 174.153 174.706 -0.553 1
1 40 . 4 1 1 A 4 4 SER CA C 13 58.226 59.752 -1.526 1
1 41 . 4 1 1 A 4 4 SER CB C 13 63.663 63.971 -0.308 1
1 42 . 4 1 1 A 4 4 SER N N 13 119.429 114.651 4.778 1
1 43 . 4 1 1 A 5 5 GLN H H 14 8.299 7.808 0.491 1
1 44 . 4 1 1 A 5 5 GLN HA H 14 4.332 4.345 -0.013 1
1 49 . 4 1 1 A 5 5 GLN C C 14 175.152 175.614 -0.462 1
1 50 . 4 1 1 A 5 5 GLN CA C 14 56.164 55.658 0.506 1
1 51 . 4 1 1 A 5 5 GLN CB C 14 29.724 29.644 0.080 1
1 53 . 4 1 1 A 5 5 GLN N N 14 123.721 119.797 3.924 1
1 54 . 4 1 1 A 6 6 GLN H H 15 8.692 8.491 0.201 1
1 55 . 4 1 1 A 6 6 GLN HA H 15 4.343 4.384 -0.041 1
1 60 . 4 1 1 A 6 6 GLN C C 15 175.193 176.171 -0.978 1
1 61 . 4 1 1 A 6 6 GLN CA C 15 56.539 56.130 0.409 1
1 62 . 4 1 1 A 6 6 GLN CB C 15 30.474 28.997 1.477 1
1 64 . 4 1 1 A 6 6 GLN N N 15 124.240 123.078 1.162 1
1 65 . 4 1 1 A 7 7 ASN H H 16 8.291 9.043 -0.752 1
1 66 . 4 1 1 A 7 7 ASN HA H 16 5.049 5.264 -0.215 1
1 69 . 4 1 1 A 7 7 ASN C C 16 175.141 173.173 1.968 1
1 70 . 4 1 1 A 7 7 ASN CA C 16 52.224 52.032 0.192 1
1 71 . 4 1 1 A 7 7 ASN CB C 16 40.600 42.595 -1.995 1
1 72 . 4 1 1 A 7 7 ASN N N 16 116.809 120.725 -3.916 1
1 73 . 4 1 1 A 8 8 CYS H H 17 8.737 9.025 -0.288 1
1 74 . 4 1 1 A 8 8 CYS HA H 17 4.584 4.816 -0.232 1
1 77 . 4 1 1 A 8 8 CYS CA C 17 56.164 55.769 0.395 1
1 78 . 4 1 1 A 8 8 CYS CB C 17 31.976 29.420 2.556 1
1 79 . 4 1 1 A 8 8 CYS N N 17 127.386 119.289 8.097 1
1 80 . 4 1 1 A 9 9 PRO HA H 18 4.457 4.445 0.012 1
1 87 . 4 1 1 A 9 9 PRO C C 18 175.922 178.030 -2.108 1
1 88 . 4 1 1 A 9 9 PRO CA C 18 63.663 64.049 -0.386 1
1 89 . 4 1 1 A 9 9 PRO CB C 18 32.913 31.885 1.028 1
1 92 . 4 1 1 A 10 10 ILE H H 19 8.471 8.194 0.277 1
1 93 . 4 1 1 A 10 10 ILE HA H 19 4.171 3.979 0.192 1
1 103 . 4 1 1 A 10 10 ILE C C 19 175.891 177.336 -1.445 1
1 104 . 4 1 1 A 10 10 ILE CA C 19 62.350 63.717 -1.367 1
1 105 . 4 1 1 A 10 10 ILE CB C 19 37.226 37.985 -0.759 1
1 109 . 4 1 1 A 10 10 ILE N N 19 121.858 116.278 5.580 1
1 110 . 4 1 1 A 11 11 CYS H H 20 7.443 7.640 -0.197 1
1 111 . 4 1 1 A 11 11 CYS HA H 20 4.841 4.644 0.197 1
1 114 . 4 1 1 A 11 11 CYS C C 20 175.683 174.884 0.799 1
1 115 . 4 1 1 A 11 11 CYS CA C 20 57.851 58.387 -0.536 1
1 116 . 4 1 1 A 11 11 CYS CB C 20 31.601 29.225 2.376 1
1 117 . 4 1 1 A 11 11 CYS N N 20 115.827 117.023 -1.196 1
1 118 . 4 1 1 A 12 12 LEU H H 21 7.940 7.796 0.144 1
1 119 . 4 1 1 A 12 12 LEU HA H 21 4.241 3.833 0.408 1
1 129 . 4 1 1 A 12 12 LEU C C 21 176.286 175.350 0.936 1
1 130 . 4 1 1 A 12 12 LEU CA C 21 56.726 56.439 0.287 1
1 131 . 4 1 1 A 12 12 LEU CB C 21 38.163 39.975 -1.812 1
1 135 . 4 1 1 A 12 12 LEU N N 21 118.743 117.250 1.493 1
1 136 . 4 1 1 A 13 13 GLU H H 22 8.545 7.529 1.016 1
1 137 . 4 1 1 A 13 13 GLU HA H 22 4.700 4.928 -0.228 1
1 142 . 4 1 1 A 13 13 GLU C C 22 176.910 175.209 1.701 1
1 143 . 4 1 1 A 13 13 GLU CA C 22 55.224 54.510 0.714 1
1 144 . 4 1 1 A 13 13 GLU CB C 22 31.414 32.958 -1.544 1
1 146 . 4 1 1 A 13 13 GLU N N 22 119.659 117.077 2.582 1
1 147 . 4 1 1 A 14 14 ASP H H 23 8.705 8.616 0.089 1
1 148 . 4 1 1 A 14 14 ASP HA H 23 4.732 4.646 0.086 1
1 151 . 4 1 1 A 14 14 ASP C C 23 177.077 175.294 1.783 1
1 152 . 4 1 1 A 14 14 ASP CA C 23 55.414 54.585 0.829 1
1 153 . 4 1 1 A 14 14 ASP CB C 23 42.288 41.838 0.450 1
1 154 . 4 1 1 A 14 14 ASP N N 23 121.813 121.205 0.608 1
1 155 . 4 1 1 A 15 15 ILE H H 24 8.603 8.312 0.291 1
1 156 . 4 1 1 A 15 15 ILE HA H 24 4.173 4.982 -0.809 1
1 166 . 4 1 1 A 15 15 ILE C C 24 174.920 174.398 0.522 1
1 167 . 4 1 1 A 15 15 ILE CA C 24 59.726 60.063 -0.337 1
1 168 . 4 1 1 A 15 15 ILE CB C 24 40.413 42.458 -2.045 1
1 172 . 4 1 1 A 15 15 ILE N N 24 123.686 123.925 -0.239 1
1 173 . 4 1 1 A 16 16 HIS H H 25 8.581 8.843 -0.262 1
1 174 . 4 1 1 A 16 16 HIS HA H 25 4.685 5.080 -0.395 1
1 178 . 4 1 1 A 16 16 HIS C C 25 176.609 175.526 1.083 1
1 179 . 4 1 1 A 16 16 HIS CA C 25 56.913 54.786 2.127 1
1 180 . 4 1 1 A 16 16 HIS CB C 25 30.474 34.240 -3.766 1
1 182 . 4 1 1 A 16 16 HIS N N 25 123.042 123.473 -0.431 1
1 183 . 4 1 1 A 17 17 THR H H 26 8.241 8.611 -0.370 1
1 184 . 4 1 1 A 17 17 THR HA H 26 4.303 3.981 0.322 1
1 189 . 4 1 1 A 17 17 THR C C 26 175.037 175.215 -0.178 1
1 190 . 4 1 1 A 17 17 THR CA C 26 62.913 64.628 -1.715 1
1 191 . 4 1 1 A 17 17 THR CB C 26 68.912 68.611 0.301 1
1 193 . 4 1 1 A 17 17 THR N N 26 114.128 115.268 -1.140 1
1 194 . 4 1 1 A 18 18 SER H H 27 8.160 7.752 0.408 1
1 195 . 4 1 1 A 18 18 SER HA H 27 4.514 4.347 0.167 1
1 198 . 4 1 1 A 18 18 SER C C 27 175.058 174.105 0.953 1
1 199 . 4 1 1 A 18 18 SER CA C 27 58.413 59.878 -1.465 1
1 200 . 4 1 1 A 18 18 SER CB C 27 63.100 63.062 0.038 1
1 201 . 4 1 1 A 18 18 SER N N 27 116.330 119.414 -3.084 1
1 202 . 4 1 1 A 19 19 ARG H H 28 8.200 8.604 -0.404 1
1 203 . 4 1 1 A 19 19 ARG HA H 28 4.233 4.298 -0.065 1
1 210 . 4 1 1 A 19 19 ARG C C 28 176.463 178.745 -2.282 1
1 211 . 4 1 1 A 19 19 ARG CA C 28 57.293 59.028 -1.735 1
1 212 . 4 1 1 A 19 19 ARG CB C 28 30.474 29.526 0.948 1
1 215 . 4 1 1 A 19 19 ARG N N 28 121.067 126.903 -5.836 1
1 216 . 4 1 1 A 20 20 VAL H H 29 7.789 7.974 -0.185 1
1 217 . 4 1 1 A 20 20 VAL HA H 29 4.294 3.626 0.668 1
1 225 . 4 1 1 A 20 20 VAL C C 29 175.599 178.545 -2.946 1
1 226 . 4 1 1 A 20 20 VAL CA C 29 61.601 66.106 -4.505 1
1 227 . 4 1 1 A 20 20 VAL CB C 29 33.476 31.621 1.855 1
1 229 . 4 1 1 A 20 20 VAL N N 29 117.329 119.951 -2.622 1
1 230 . 4 1 1 A 21 21 VAL H H 30 8.068 7.844 0.224 1
1 231 . 4 1 1 A 21 21 VAL HA H 30 4.253 3.785 0.468 1
1 239 . 4 1 1 A 21 21 VAL C C 30 175.589 176.898 -1.309 1
1 240 . 4 1 1 A 21 21 VAL CA C 30 62.163 65.639 -3.476 1
1 241 . 4 1 1 A 21 21 VAL CB C 30 32.164 32.425 -0.261 1
1 244 . 4 1 1 A 21 21 VAL N N 30 121.049 119.123 1.926 1
1 245 . 4 1 1 A 22 22 ALA H H 31 8.303 8.065 0.238 1
1 246 . 4 1 1 A 22 22 ALA HA H 31 4.609 4.435 0.174 1
1 250 . 4 1 1 A 22 22 ALA C C 31 176.307 177.018 -0.711 1
1 251 . 4 1 1 A 22 22 ALA CA C 31 51.662 51.348 0.314 1
1 252 . 4 1 1 A 22 22 ALA CB C 31 20.725 18.767 1.958 1
1 253 . 4 1 1 A 22 22 ALA N N 31 127.856 121.857 5.999 1
1 254 . 4 1 1 A 23 23 HIS H H 32 9.100 9.031 0.069 1
1 255 . 4 1 1 A 23 23 HIS HA H 32 4.488 4.413 0.075 1
1 259 . 4 1 1 A 23 23 HIS C C 32 173.154 174.818 -1.664 1
1 260 . 4 1 1 A 23 23 HIS CA C 32 56.164 57.704 -1.540 1
1 261 . 4 1 1 A 23 23 HIS CB C 32 33.476 30.501 2.975 1
1 263 . 4 1 1 A 23 23 HIS N N 32 121.613 125.575 -3.962 1
1 264 . 4 1 1 A 24 24 VAL H H 33 7.498 8.204 -0.706 1
1 265 . 4 1 1 A 24 24 VAL HA H 33 4.130 4.296 -0.166 1
1 273 . 4 1 1 A 24 24 VAL C C 33 175.859 175.962 -0.103 1
1 274 . 4 1 1 A 24 24 VAL CA C 33 61.038 62.319 -1.281 1
1 275 . 4 1 1 A 24 24 VAL CB C 33 31.976 32.119 -0.143 1
1 278 . 4 1 1 A 24 24 VAL N N 33 126.760 124.823 1.937 1
1 279 . 4 1 1 A 25 25 LEU H H 34 8.426 8.994 -0.568 1
1 280 . 4 1 1 A 25 25 LEU HA H 34 4.461 4.547 -0.086 1
1 290 . 4 1 1 A 25 25 LEU CA C 34 54.661 53.650 1.011 1
1 291 . 4 1 1 A 25 25 LEU CB C 34 43.787 41.273 2.514 1
1 295 . 4 1 1 A 25 25 LEU N N 34 127.479 128.910 -1.431 1
1 296 . 4 1 1 A 26 26 PRO HA H 35 4.302 4.356 -0.054 1
1 303 . 4 1 1 A 26 26 PRO C C 35 176.494 177.327 -0.833 1
1 304 . 4 1 1 A 26 26 PRO CA C 35 65.350 64.592 0.758 1
1 305 . 4 1 1 A 26 26 PRO CB C 35 31.789 31.850 -0.061 1
1 308 . 4 1 1 A 27 27 CYS H H 36 7.266 7.706 -0.440 1
1 309 . 4 1 1 A 27 27 CYS HA H 36 4.407 4.501 -0.094 1
1 312 . 4 1 1 A 27 27 CYS C C 36 176.016 174.530 1.486 1
1 313 . 4 1 1 A 27 27 CYS CA C 36 56.726 58.480 -1.754 1
1 314 . 4 1 1 A 27 27 CYS CB C 36 31.601 27.764 3.837 1
1 315 . 4 1 1 A 27 27 CYS N N 36 111.241 116.259 -5.018 1
1 316 . 4 1 1 A 28 28 GLY H H 37 8.211 8.080 0.131 1
1 317 . 4 1 1 A 28 28 GLY HA2 H 37 4.122 3.791 0.331 1
1 318 . 4 1 1 A 28 28 GLY HA3 H 37 3.329 3.855 -0.526 1
1 319 . 4 1 1 A 28 28 GLY C C 37 173.903 174.402 -0.499 1
1 320 . 4 1 1 A 28 28 GLY CA C 37 44.725 45.688 -0.963 1
1 321 . 4 1 1 A 28 28 GLY N N 37 111.309 109.798 1.511 1
1 322 . 4 1 1 A 29 29 HIS H H 38 8.109 7.579 0.530 1
1 323 . 4 1 1 A 29 29 HIS HA H 38 4.622 4.678 -0.056 1
1 327 . 4 1 1 A 29 29 HIS C C 38 173.029 174.589 -1.560 1
1 328 . 4 1 1 A 29 29 HIS CA C 38 59.351 55.813 3.538 1
1 329 . 4 1 1 A 29 29 HIS CB C 38 31.224 32.252 -1.028 1
1 331 . 4 1 1 A 29 29 HIS N N 38 121.624 118.147 3.477 1
1 332 . 4 1 1 A 30 30 LEU H H 39 8.923 8.691 0.232 1
1 333 . 4 1 1 A 30 30 LEU HA H 39 5.112 5.319 -0.207 1
1 343 . 4 1 1 A 30 30 LEU C C 39 176.380 175.731 0.649 1
1 344 . 4 1 1 A 30 30 LEU CA C 39 54.474 53.592 0.882 1
1 345 . 4 1 1 A 30 30 LEU CB C 39 45.662 43.872 1.790 1
1 349 . 4 1 1 A 30 30 LEU N N 39 120.785 121.559 -0.774 1
1 350 . 4 1 1 A 31 31 LEU H H 40 8.586 8.744 -0.158 1
1 351 . 4 1 1 A 31 31 LEU HA H 40 5.144 4.787 0.357 1
1 361 . 4 1 1 A 31 31 LEU C C 40 177.701 175.548 2.153 1
1 362 . 4 1 1 A 31 31 LEU CA C 40 53.161 53.572 -0.411 1
1 363 . 4 1 1 A 31 31 LEU CB C 40 47.350 45.640 1.710 1
1 366 . 4 1 1 A 31 31 LEU N N 40 117.837 120.993 -3.156 1
1 367 . 4 1 1 A 32 32 HIS H H 41 7.726 7.862 -0.136 1
1 368 . 4 1 1 A 32 32 HIS HA H 41 4.693 5.260 -0.567 1
1 372 . 4 1 1 A 32 32 HIS C C 41 176.994 176.356 0.638 1
1 373 . 4 1 1 A 32 32 HIS CA C 41 59.913 55.472 4.441 1
1 374 . 4 1 1 A 32 32 HIS CB C 41 31.036 31.430 -0.394 1
1 376 . 4 1 1 A 32 32 HIS N N 41 118.242 117.101 1.141 1
1 377 . 4 1 1 A 33 33 ARG H H 42 9.564 9.141 0.423 1
1 378 . 4 1 1 A 33 33 ARG HA H 42 4.055 3.906 0.149 1
1 385 . 4 1 1 A 33 33 ARG C C 42 178.388 178.122 0.266 1
1 386 . 4 1 1 A 33 33 ARG CA C 42 60.476 60.283 0.193 1
1 387 . 4 1 1 A 33 33 ARG CB C 42 29.536 30.144 -0.608 1
1 390 . 4 1 1 A 33 33 ARG N N 42 124.900 120.323 4.577 1
1 391 . 4 1 1 A 34 34 THR H H 43 8.386 8.382 0.004 1
1 392 . 4 1 1 A 34 34 THR HA H 43 4.101 4.114 -0.013 1
1 397 . 4 1 1 A 34 34 THR C C 43 177.285 177.247 0.038 1
1 398 . 4 1 1 A 34 34 THR CA C 43 64.788 65.307 -0.519 1
1 399 . 4 1 1 A 34 34 THR CB C 43 67.787 68.104 -0.317 1
1 401 . 4 1 1 A 34 34 THR N N 43 109.798 111.622 -1.824 1
1 402 . 4 1 1 A 35 35 CYS H H 44 6.825 8.461 -1.636 1
1 403 . 4 1 1 A 35 35 CYS HA H 44 4.066 4.305 -0.239 1
1 406 . 4 1 1 A 35 35 CYS C C 44 176.671 177.121 -0.450 1
1 407 . 4 1 1 A 35 35 CYS CA C 44 63.100 62.908 0.192 1
1 408 . 4 1 1 A 35 35 CYS CB C 44 28.787 27.360 1.427 1
1 409 . 4 1 1 A 35 35 CYS N N 44 123.057 120.347 2.710 1
1 410 . 4 1 1 A 36 36 TYR H H 45 8.484 8.299 0.185 1
1 411 . 4 1 1 A 36 36 TYR HA H 45 4.200 4.066 0.134 1
1 418 . 4 1 1 A 36 36 TYR C C 45 176.140 177.811 -1.671 1
1 419 . 4 1 1 A 36 36 TYR CA C 45 60.101 61.271 -1.170 1
1 420 . 4 1 1 A 36 36 TYR CB C 45 37.601 38.431 -0.830 1
1 423 . 4 1 1 A 36 36 TYR N N 45 119.972 123.214 -3.242 1
1 424 . 4 1 1 A 37 37 GLU H H 46 7.925 8.259 -0.334 1
1 425 . 4 1 1 A 37 37 GLU HA H 46 3.546 3.554 -0.008 1
1 430 . 4 1 1 A 37 37 GLU C C 46 179.574 178.686 0.888 1
1 431 . 4 1 1 A 37 37 GLU CA C 46 59.351 59.941 -0.590 1
1 432 . 4 1 1 A 37 37 GLU CB C 46 28.787 29.524 -0.737 1
1 434 . 4 1 1 A 37 37 GLU N N 46 117.277 118.383 -1.106 1
1 435 . 4 1 1 A 38 38 GLU H H 47 7.598 8.376 -0.778 1
1 436 . 4 1 1 A 38 38 GLU HA H 47 4.041 4.088 -0.047 1
1 441 . 4 1 1 A 38 38 GLU C C 47 177.743 178.883 -1.140 1
1 442 . 4 1 1 A 38 38 GLU CA C 47 58.788 59.068 -0.280 1
1 443 . 4 1 1 A 38 38 GLU CB C 47 29.349 29.338 0.011 1
1 445 . 4 1 1 A 38 38 GLU N N 47 119.258 120.390 -1.132 1
1 446 . 4 1 1 A 39 39 MET H H 48 7.918 7.979 -0.061 1
1 447 . 4 1 1 A 39 39 MET HA H 48 3.612 4.308 -0.696 1
1 452 . 4 1 1 A 39 39 MET C C 48 178.232 178.463 -0.231 1
1 453 . 4 1 1 A 39 39 MET CA C 48 58.226 58.455 -0.229 1
1 454 . 4 1 1 A 39 39 MET CB C 48 32.351 32.037 0.314 1
1 456 . 4 1 1 A 39 39 MET N N 48 120.952 119.518 1.434 1
1 457 . 4 1 1 A 40 40 LEU H H 49 8.042 7.789 0.253 1
1 458 . 4 1 1 A 40 40 LEU HA H 49 3.867 3.993 -0.126 1
1 468 . 4 1 1 A 40 40 LEU C C 49 179.543 177.964 1.579 1
1 469 . 4 1 1 A 40 40 LEU CA C 49 56.726 57.095 -0.369 1
1 470 . 4 1 1 A 40 40 LEU CB C 49 41.913 41.492 0.421 1
1 474 . 4 1 1 A 40 40 LEU N N 49 119.191 120.809 -1.618 1
1 475 . 4 1 1 A 41 41 LYS H H 50 7.604 8.290 -0.686 1
1 476 . 4 1 1 A 41 41 LYS HA H 50 3.957 3.919 0.038 1
1 485 . 4 1 1 A 41 41 LYS C C 50 178.305 179.291 -0.986 1
1 486 . 4 1 1 A 41 41 LYS CA C 50 58.788 59.711 -0.923 1
1 487 . 4 1 1 A 41 41 LYS CB C 50 32.726 32.044 0.682 1
1 491 . 4 1 1 A 41 41 LYS N N 50 119.815 119.395 0.420 1
1 492 . 4 1 1 A 42 42 GLU H H 51 7.972 8.023 -0.051 1
1 493 . 4 1 1 A 42 42 GLU HA H 51 4.238 4.242 -0.004 1
1 498 . 4 1 1 A 42 42 GLU C C 51 177.837 177.660 0.177 1
1 499 . 4 1 1 A 42 42 GLU CA C 51 56.913 56.886 0.027 1
1 500 . 4 1 1 A 42 42 GLU CB C 51 30.660 30.040 0.620 1
1 502 . 4 1 1 A 42 42 GLU N N 51 116.691 116.393 0.298 1
1 503 . 4 1 1 A 43 43 GLY H H 52 8.022 8.158 -0.136 1
1 504 . 4 1 1 A 43 43 GLY HA2 H 52 4.051 3.854 0.197 1
1 505 . 4 1 1 A 43 43 GLY HA3 H 52 3.778 3.914 -0.136 1
1 506 . 4 1 1 A 43 43 GLY C C 52 174.278 174.151 0.127 1
1 507 . 4 1 1 A 43 43 GLY CA C 52 46.037 46.620 -0.583 1
1 508 . 4 1 1 A 43 43 GLY N N 52 108.181 108.215 -0.034 1
1 509 . 4 1 1 A 44 44 TYR H H 53 7.184 7.258 -0.074 1
1 510 . 4 1 1 A 44 44 TYR HA H 53 4.787 4.636 0.151 1
1 517 . 4 1 1 A 44 44 TYR C C 53 174.725 175.538 -0.813 1
1 518 . 4 1 1 A 44 44 TYR CA C 53 55.976 57.270 -1.294 1
1 519 . 4 1 1 A 44 44 TYR CB C 53 38.913 40.398 -1.485 1
1 522 . 4 1 1 A 44 44 TYR N N 53 117.550 118.315 -0.765 1
1 523 . 4 1 1 A 45 45 ARG H H 54 7.969 8.525 -0.556 1
1 524 . 4 1 1 A 45 45 ARG HA H 54 4.412 4.249 0.163 1
1 531 . 4 1 1 A 45 45 ARG C C 54 174.902 175.505 -0.603 1
1 532 . 4 1 1 A 45 45 ARG CA C 54 54.849 56.233 -1.384 1
1 533 . 4 1 1 A 45 45 ARG CB C 54 32.164 30.532 1.632 1
1 536 . 4 1 1 A 45 45 ARG N N 54 120.614 118.129 2.485 1
1 537 . 4 1 1 A 46 46 CYS H H 55 8.579 8.704 -0.125 1
1 538 . 4 1 1 A 46 46 CYS HA H 55 4.236 4.592 -0.356 1
1 541 . 4 1 1 A 46 46 CYS CA C 55 57.477 57.398 0.079 1
1 542 . 4 1 1 A 46 46 CYS CB C 55 30.849 27.624 3.225 1
1 543 . 4 1 1 A 46 46 CYS N N 55 123.189 120.087 3.102 1
1 544 . 4 1 1 A 47 47 PRO HA H 56 4.459 4.433 0.026 1
1 551 . 4 1 1 A 47 47 PRO C C 56 178.242 177.873 0.369 1
1 552 . 4 1 1 A 47 47 PRO CA C 56 64.225 64.311 -0.086 1
1 553 . 4 1 1 A 47 47 PRO CB C 56 32.913 31.845 1.068 1
1 556 . 4 1 1 A 48 48 LEU H H 57 8.285 7.546 0.739 1
1 557 . 4 1 1 A 48 48 LEU HA H 57 4.191 4.149 0.042 1
1 567 . 4 1 1 A 48 48 LEU C C 57 178.783 178.580 0.203 1
1 568 . 4 1 1 A 48 48 LEU CA C 57 55.789 56.314 -0.525 1
1 569 . 4 1 1 A 48 48 LEU CB C 57 41.163 40.985 0.178 1
1 573 . 4 1 1 A 48 48 LEU N N 57 119.589 116.607 2.982 1
1 574 . 4 1 1 A 49 49 CYS H H 58 7.949 7.670 0.279 1
1 575 . 4 1 1 A 49 49 CYS HA H 58 4.281 4.407 -0.126 1
1 578 . 4 1 1 A 49 49 CYS C C 58 176.088 176.743 -0.655 1
1 579 . 4 1 1 A 49 49 CYS CA C 58 63.475 62.166 1.309 1
1 580 . 4 1 1 A 49 49 CYS CB C 58 30.099 26.824 3.275 1
1 581 . 4 1 1 A 49 49 CYS N N 58 123.132 117.959 5.173 1
1 582 . 4 1 1 A 50 50 MET H H 59 7.717 7.694 0.023 1
1 583 . 4 1 1 A 50 50 MET HA H 59 4.332 4.319 0.013 1
1 588 . 4 1 1 A 50 50 MET C C 59 175.870 176.505 -0.635 1
1 589 . 4 1 1 A 50 50 MET CA C 59 55.601 58.150 -2.549 1
1 590 . 4 1 1 A 50 50 MET CB C 59 32.164 33.197 -1.033 1
1 592 . 4 1 1 A 50 50 MET N N 59 118.057 120.140 -2.083 1
1 593 . 4 1 1 A 51 51 HIS H H 60 7.965 7.759 0.206 1
1 594 . 4 1 1 A 51 51 HIS HA H 60 4.709 4.898 -0.189 1
1 598 . 4 1 1 A 51 51 HIS C C 60 174.267 173.660 0.607 1
1 599 . 4 1 1 A 51 51 HIS CA C 60 55.601 53.835 1.766 1
1 600 . 4 1 1 A 51 51 HIS CB C 60 30.661 31.259 -0.598 1
1 602 . 4 1 1 A 51 51 HIS N N 60 119.437 118.142 1.295 1
1 12 . 5 1 1 A 2 2 ASN H H 11 8.476 8.901 -0.425 1
1 13 . 5 1 1 A 2 2 ASN HA H 11 4.704 5.042 -0.338 1
1 16 . 5 1 1 A 2 2 ASN C C 11 175.058 174.880 0.178 1
1 17 . 5 1 1 A 2 2 ASN CA C 11 53.375 52.776 0.599 1
1 18 . 5 1 1 A 2 2 ASN CB C 11 38.913 39.394 -0.481 1
1 19 . 5 1 1 A 2 2 ASN N N 11 119.245 125.872 -6.627 1
1 20 . 5 1 1 A 3 3 VAL H H 12 8.023 8.513 -0.490 1
1 21 . 5 1 1 A 3 3 VAL HA H 12 4.171 4.107 0.064 1
1 29 . 5 1 1 A 3 3 VAL C C 12 176.120 176.854 -0.734 1
1 30 . 5 1 1 A 3 3 VAL CA C 12 61.975 64.441 -2.466 1
1 31 . 5 1 1 A 3 3 VAL CB C 12 32.913 32.490 0.423 1
1 34 . 5 1 1 A 3 3 VAL N N 12 119.852 125.249 -5.397 1
1 35 . 5 1 1 A 4 4 SER H H 13 8.384 7.744 0.640 1
1 36 . 5 1 1 A 4 4 SER HA H 13 4.452 4.490 -0.038 1
1 39 . 5 1 1 A 4 4 SER C C 13 174.153 173.861 0.292 1
1 40 . 5 1 1 A 4 4 SER CA C 13 58.226 58.476 -0.250 1
1 41 . 5 1 1 A 4 4 SER CB C 13 63.663 63.666 -0.003 1
1 42 . 5 1 1 A 4 4 SER N N 13 119.429 114.095 5.334 1
1 43 . 5 1 1 A 5 5 GLN H H 14 8.299 7.494 0.805 1
1 44 . 5 1 1 A 5 5 GLN HA H 14 4.332 4.997 -0.665 1
1 49 . 5 1 1 A 5 5 GLN C C 14 175.152 173.924 1.228 1
1 50 . 5 1 1 A 5 5 GLN CA C 14 56.164 54.372 1.792 1
1 51 . 5 1 1 A 5 5 GLN CB C 14 29.724 32.405 -2.681 1
1 53 . 5 1 1 A 5 5 GLN N N 14 123.721 120.207 3.514 1
1 54 . 5 1 1 A 6 6 GLN H H 15 8.692 8.659 0.033 1
1 55 . 5 1 1 A 6 6 GLN HA H 15 4.343 4.929 -0.586 1
1 60 . 5 1 1 A 6 6 GLN C C 15 175.193 175.729 -0.536 1
1 61 . 5 1 1 A 6 6 GLN CA C 15 56.539 55.338 1.201 1
1 62 . 5 1 1 A 6 6 GLN CB C 15 30.474 30.904 -0.430 1
1 64 . 5 1 1 A 6 6 GLN N N 15 124.240 124.559 -0.319 1
1 65 . 5 1 1 A 7 7 ASN H H 16 8.291 9.042 -0.751 1
1 66 . 5 1 1 A 7 7 ASN HA H 16 5.049 5.501 -0.452 1
1 69 . 5 1 1 A 7 7 ASN C C 16 175.141 173.444 1.697 1
1 70 . 5 1 1 A 7 7 ASN CA C 16 52.224 51.359 0.865 1
1 71 . 5 1 1 A 7 7 ASN CB C 16 40.600 42.541 -1.941 1
1 72 . 5 1 1 A 7 7 ASN N N 16 116.809 116.790 0.019 1
1 73 . 5 1 1 A 8 8 CYS H H 17 8.737 9.123 -0.386 1
1 74 . 5 1 1 A 8 8 CYS HA H 17 4.584 4.694 -0.110 1
1 77 . 5 1 1 A 8 8 CYS CA C 17 56.164 56.408 -0.244 1
1 78 . 5 1 1 A 8 8 CYS CB C 17 31.976 29.216 2.760 1
1 79 . 5 1 1 A 8 8 CYS N N 17 127.386 121.191 6.195 1
1 80 . 5 1 1 A 9 9 PRO HA H 18 4.457 4.448 0.009 1
1 87 . 5 1 1 A 9 9 PRO C C 18 175.922 177.624 -1.702 1
1 88 . 5 1 1 A 9 9 PRO CA C 18 63.663 64.121 -0.458 1
1 89 . 5 1 1 A 9 9 PRO CB C 18 32.913 31.805 1.108 1
1 92 . 5 1 1 A 10 10 ILE H H 19 8.471 8.229 0.242 1
1 93 . 5 1 1 A 10 10 ILE HA H 19 4.171 3.990 0.181 1
1 103 . 5 1 1 A 10 10 ILE C C 19 175.891 177.136 -1.245 1
1 104 . 5 1 1 A 10 10 ILE CA C 19 62.350 63.356 -1.006 1
1 105 . 5 1 1 A 10 10 ILE CB C 19 37.226 38.157 -0.931 1
1 109 . 5 1 1 A 10 10 ILE N N 19 121.858 116.312 5.546 1
1 110 . 5 1 1 A 11 11 CYS H H 20 7.443 7.585 -0.142 1
1 111 . 5 1 1 A 11 11 CYS HA H 20 4.841 4.645 0.196 1
1 114 . 5 1 1 A 11 11 CYS C C 20 175.683 175.221 0.462 1
1 115 . 5 1 1 A 11 11 CYS CA C 20 57.851 58.406 -0.555 1
1 116 . 5 1 1 A 11 11 CYS CB C 20 31.601 29.198 2.403 1
1 117 . 5 1 1 A 11 11 CYS N N 20 115.827 117.409 -1.582 1
1 118 . 5 1 1 A 12 12 LEU H H 21 7.940 8.164 -0.224 1
1 119 . 5 1 1 A 12 12 LEU HA H 21 4.241 3.899 0.342 1
1 129 . 5 1 1 A 12 12 LEU C C 21 176.286 175.376 0.910 1
1 130 . 5 1 1 A 12 12 LEU CA C 21 56.726 56.336 0.390 1
1 131 . 5 1 1 A 12 12 LEU CB C 21 38.163 39.997 -1.834 1
1 135 . 5 1 1 A 12 12 LEU N N 21 118.743 117.348 1.395 1
1 136 . 5 1 1 A 13 13 GLU H H 22 8.545 7.949 0.596 1
1 137 . 5 1 1 A 13 13 GLU HA H 22 4.700 4.769 -0.069 1
1 142 . 5 1 1 A 13 13 GLU C C 22 176.910 175.196 1.714 1
1 143 . 5 1 1 A 13 13 GLU CA C 22 55.224 54.657 0.567 1
1 144 . 5 1 1 A 13 13 GLU CB C 22 31.414 31.875 -0.461 1
1 146 . 5 1 1 A 13 13 GLU N N 22 119.659 117.414 2.245 1
1 147 . 5 1 1 A 14 14 ASP H H 23 8.705 8.634 0.071 1
1 148 . 5 1 1 A 14 14 ASP HA H 23 4.732 4.810 -0.078 1
1 151 . 5 1 1 A 14 14 ASP C C 23 177.077 175.753 1.324 1
1 152 . 5 1 1 A 14 14 ASP CA C 23 55.414 54.616 0.798 1
1 153 . 5 1 1 A 14 14 ASP CB C 23 42.288 41.814 0.474 1
1 154 . 5 1 1 A 14 14 ASP N N 23 121.813 121.399 0.414 1
1 155 . 5 1 1 A 15 15 ILE H H 24 8.603 8.288 0.315 1
1 156 . 5 1 1 A 15 15 ILE HA H 24 4.173 4.796 -0.623 1
1 166 . 5 1 1 A 15 15 ILE C C 24 174.920 173.718 1.202 1
1 167 . 5 1 1 A 15 15 ILE CA C 24 59.726 60.354 -0.628 1
1 168 . 5 1 1 A 15 15 ILE CB C 24 40.413 41.060 -0.647 1
1 172 . 5 1 1 A 15 15 ILE N N 24 123.686 125.591 -1.905 1
1 173 . 5 1 1 A 16 16 HIS H H 25 8.581 9.167 -0.586 1
1 174 . 5 1 1 A 16 16 HIS HA H 25 4.685 5.084 -0.399 1
1 178 . 5 1 1 A 16 16 HIS C C 25 176.609 176.972 -0.363 1
1 179 . 5 1 1 A 16 16 HIS CA C 25 56.913 54.505 2.408 1
1 180 . 5 1 1 A 16 16 HIS CB C 25 30.474 32.270 -1.796 1
1 182 . 5 1 1 A 16 16 HIS N N 25 123.042 126.959 -3.917 1
1 183 . 5 1 1 A 17 17 THR H H 26 8.241 8.287 -0.046 1
1 184 . 5 1 1 A 17 17 THR HA H 26 4.303 3.788 0.515 1
1 189 . 5 1 1 A 17 17 THR C C 26 175.037 175.210 -0.173 1
1 190 . 5 1 1 A 17 17 THR CA C 26 62.913 64.619 -1.706 1
1 191 . 5 1 1 A 17 17 THR CB C 26 68.912 68.102 0.810 1
1 193 . 5 1 1 A 17 17 THR N N 26 114.128 117.207 -3.079 1
1 194 . 5 1 1 A 18 18 SER H H 27 8.160 7.107 1.053 1
1 195 . 5 1 1 A 18 18 SER HA H 27 4.514 4.279 0.235 1
1 198 . 5 1 1 A 18 18 SER C C 27 175.058 175.116 -0.058 1
1 199 . 5 1 1 A 18 18 SER CA C 27 58.413 59.750 -1.337 1
1 200 . 5 1 1 A 18 18 SER CB C 27 63.100 63.283 -0.183 1
1 201 . 5 1 1 A 18 18 SER N N 27 116.330 119.526 -3.196 1
1 202 . 5 1 1 A 19 19 ARG H H 28 8.200 8.622 -0.422 1
1 203 . 5 1 1 A 19 19 ARG HA H 28 4.233 4.222 0.011 1
1 210 . 5 1 1 A 19 19 ARG C C 28 176.463 177.361 -0.898 1
1 211 . 5 1 1 A 19 19 ARG CA C 28 57.293 57.156 0.137 1
1 212 . 5 1 1 A 19 19 ARG CB C 28 30.474 29.180 1.294 1
1 215 . 5 1 1 A 19 19 ARG N N 28 121.067 125.191 -4.124 1
1 216 . 5 1 1 A 20 20 VAL H H 29 7.789 7.823 -0.034 1
1 217 . 5 1 1 A 20 20 VAL HA H 29 4.294 3.645 0.649 1
1 225 . 5 1 1 A 20 20 VAL C C 29 175.599 178.552 -2.953 1
1 226 . 5 1 1 A 20 20 VAL CA C 29 61.601 66.249 -4.648 1
1 227 . 5 1 1 A 20 20 VAL CB C 29 33.476 31.623 1.853 1
1 229 . 5 1 1 A 20 20 VAL N N 29 117.329 119.869 -2.540 1
1 230 . 5 1 1 A 21 21 VAL H H 30 8.068 7.884 0.184 1
1 231 . 5 1 1 A 21 21 VAL HA H 30 4.253 3.957 0.296 1
1 239 . 5 1 1 A 21 21 VAL C C 30 175.589 175.873 -0.284 1
1 240 . 5 1 1 A 21 21 VAL CA C 30 62.163 64.503 -2.340 1
1 241 . 5 1 1 A 21 21 VAL CB C 30 32.164 32.375 -0.211 1
1 244 . 5 1 1 A 21 21 VAL N N 30 121.049 120.246 0.803 1
1 245 . 5 1 1 A 22 22 ALA H H 31 8.303 7.274 1.029 1
1 246 . 5 1 1 A 22 22 ALA HA H 31 4.609 4.458 0.151 1
1 250 . 5 1 1 A 22 22 ALA C C 31 176.307 176.933 -0.626 1
1 251 . 5 1 1 A 22 22 ALA CA C 31 51.662 51.110 0.552 1
1 252 . 5 1 1 A 22 22 ALA CB C 31 20.725 18.875 1.850 1
1 253 . 5 1 1 A 22 22 ALA N N 31 127.856 124.528 3.328 1
1 254 . 5 1 1 A 23 23 HIS H H 32 9.100 8.987 0.113 1
1 255 . 5 1 1 A 23 23 HIS HA H 32 4.488 4.410 0.078 1
1 259 . 5 1 1 A 23 23 HIS C C 32 173.154 174.848 -1.694 1
1 260 . 5 1 1 A 23 23 HIS CA C 32 56.164 57.775 -1.611 1
1 261 . 5 1 1 A 23 23 HIS CB C 32 33.476 30.581 2.895 1
1 263 . 5 1 1 A 23 23 HIS N N 32 121.613 125.525 -3.912 1
1 264 . 5 1 1 A 24 24 VAL H H 33 7.498 8.195 -0.697 1
1 265 . 5 1 1 A 24 24 VAL HA H 33 4.130 4.308 -0.178 1
1 273 . 5 1 1 A 24 24 VAL C C 33 175.859 175.800 0.059 1
1 274 . 5 1 1 A 24 24 VAL CA C 33 61.038 62.511 -1.473 1
1 275 . 5 1 1 A 24 24 VAL CB C 33 31.976 31.721 0.255 1
1 278 . 5 1 1 A 24 24 VAL N N 33 126.760 125.387 1.373 1
1 279 . 5 1 1 A 25 25 LEU H H 34 8.426 8.871 -0.445 1
1 280 . 5 1 1 A 25 25 LEU HA H 34 4.461 4.532 -0.071 1
1 290 . 5 1 1 A 25 25 LEU CA C 34 54.661 53.663 0.998 1
1 291 . 5 1 1 A 25 25 LEU CB C 34 43.787 41.300 2.487 1
1 295 . 5 1 1 A 25 25 LEU N N 34 127.479 129.721 -2.242 1
1 296 . 5 1 1 A 26 26 PRO HA H 35 4.302 4.293 0.009 1
1 303 . 5 1 1 A 26 26 PRO C C 35 176.494 177.386 -0.892 1
1 304 . 5 1 1 A 26 26 PRO CA C 35 65.350 64.903 0.447 1
1 305 . 5 1 1 A 26 26 PRO CB C 35 31.789 31.875 -0.086 1
1 308 . 5 1 1 A 27 27 CYS H H 36 7.266 7.708 -0.442 1
1 309 . 5 1 1 A 27 27 CYS HA H 36 4.407 4.454 -0.047 1
1 312 . 5 1 1 A 27 27 CYS C C 36 176.016 174.713 1.303 1
1 313 . 5 1 1 A 27 27 CYS CA C 36 56.726 58.726 -2.000 1
1 314 . 5 1 1 A 27 27 CYS CB C 36 31.601 27.782 3.819 1
1 315 . 5 1 1 A 27 27 CYS N N 36 111.241 116.162 -4.921 1
1 316 . 5 1 1 A 28 28 GLY H H 37 8.211 8.126 0.085 1
1 317 . 5 1 1 A 28 28 GLY HA2 H 37 4.122 3.722 0.400 1
1 318 . 5 1 1 A 28 28 GLY HA3 H 37 3.329 3.785 -0.456 1
1 319 . 5 1 1 A 28 28 GLY C C 37 173.903 174.398 -0.495 1
1 320 . 5 1 1 A 28 28 GLY CA C 37 44.725 45.782 -1.057 1
1 321 . 5 1 1 A 28 28 GLY N N 37 111.309 109.743 1.566 1
1 322 . 5 1 1 A 29 29 HIS H H 38 8.109 7.616 0.493 1
1 323 . 5 1 1 A 29 29 HIS HA H 38 4.622 4.675 -0.053 1
1 327 . 5 1 1 A 29 29 HIS C C 38 173.029 174.381 -1.352 1
1 328 . 5 1 1 A 29 29 HIS CA C 38 59.351 55.763 3.588 1
1 329 . 5 1 1 A 29 29 HIS CB C 38 31.224 32.157 -0.933 1
1 331 . 5 1 1 A 29 29 HIS N N 38 121.624 117.769 3.855 1
1 332 . 5 1 1 A 30 30 LEU H H 39 8.923 8.721 0.202 1
1 333 . 5 1 1 A 30 30 LEU HA H 39 5.112 5.345 -0.233 1
1 343 . 5 1 1 A 30 30 LEU C C 39 176.380 175.585 0.795 1
1 344 . 5 1 1 A 30 30 LEU CA C 39 54.474 53.320 1.154 1
1 345 . 5 1 1 A 30 30 LEU CB C 39 45.662 44.680 0.982 1
1 349 . 5 1 1 A 30 30 LEU N N 39 120.785 120.971 -0.186 1
1 350 . 5 1 1 A 31 31 LEU H H 40 8.586 8.596 -0.010 1
1 351 . 5 1 1 A 31 31 LEU HA H 40 5.144 4.778 0.366 1
1 361 . 5 1 1 A 31 31 LEU C C 40 177.701 175.594 2.107 1
1 362 . 5 1 1 A 31 31 LEU CA C 40 53.161 53.604 -0.443 1
1 363 . 5 1 1 A 31 31 LEU CB C 40 47.350 45.359 1.991 1
1 366 . 5 1 1 A 31 31 LEU N N 40 117.837 121.920 -4.083 1
1 367 . 5 1 1 A 32 32 HIS H H 41 7.726 7.949 -0.223 1
1 368 . 5 1 1 A 32 32 HIS HA H 41 4.693 5.087 -0.394 1
1 372 . 5 1 1 A 32 32 HIS C C 41 176.994 176.495 0.499 1
1 373 . 5 1 1 A 32 32 HIS CA C 41 59.913 55.701 4.212 1
1 374 . 5 1 1 A 32 32 HIS CB C 41 31.036 31.218 -0.182 1
1 376 . 5 1 1 A 32 32 HIS N N 41 118.242 117.426 0.816 1
1 377 . 5 1 1 A 33 33 ARG H H 42 9.564 9.110 0.454 1
1 378 . 5 1 1 A 33 33 ARG HA H 42 4.055 3.908 0.147 1
1 385 . 5 1 1 A 33 33 ARG C C 42 178.388 178.262 0.126 1
1 386 . 5 1 1 A 33 33 ARG CA C 42 60.476 60.346 0.130 1
1 387 . 5 1 1 A 33 33 ARG CB C 42 29.536 30.230 -0.694 1
1 390 . 5 1 1 A 33 33 ARG N N 42 124.900 120.399 4.501 1
1 391 . 5 1 1 A 34 34 THR H H 43 8.386 8.412 -0.026 1
1 392 . 5 1 1 A 34 34 THR HA H 43 4.101 3.897 0.204 1
1 397 . 5 1 1 A 34 34 THR C C 43 177.285 177.092 0.193 1
1 398 . 5 1 1 A 34 34 THR CA C 43 64.788 66.621 -1.833 1
1 399 . 5 1 1 A 34 34 THR CB C 43 67.787 68.515 -0.728 1
1 401 . 5 1 1 A 34 34 THR N N 43 109.798 113.747 -3.949 1
1 402 . 5 1 1 A 35 35 CYS H H 44 6.825 8.400 -1.575 1
1 403 . 5 1 1 A 35 35 CYS HA H 44 4.066 4.565 -0.499 1
1 406 . 5 1 1 A 35 35 CYS C C 44 176.671 177.353 -0.682 1
1 407 . 5 1 1 A 35 35 CYS CA C 44 63.100 63.443 -0.343 1
1 408 . 5 1 1 A 35 35 CYS CB C 44 28.787 27.585 1.202 1
1 409 . 5 1 1 A 35 35 CYS N N 44 123.057 119.029 4.028 1
1 410 . 5 1 1 A 36 36 TYR H H 45 8.484 8.412 0.072 1
1 411 . 5 1 1 A 36 36 TYR HA H 45 4.200 4.039 0.161 1
1 418 . 5 1 1 A 36 36 TYR C C 45 176.140 177.656 -1.516 1
1 419 . 5 1 1 A 36 36 TYR CA C 45 60.101 61.386 -1.285 1
1 420 . 5 1 1 A 36 36 TYR CB C 45 37.601 38.526 -0.925 1
1 423 . 5 1 1 A 36 36 TYR N N 45 119.972 122.530 -2.558 1
1 424 . 5 1 1 A 37 37 GLU H H 46 7.925 8.133 -0.208 1
1 425 . 5 1 1 A 37 37 GLU HA H 46 3.546 3.434 0.112 1
1 430 . 5 1 1 A 37 37 GLU C C 46 179.574 178.874 0.700 1
1 431 . 5 1 1 A 37 37 GLU CA C 46 59.351 59.829 -0.478 1
1 432 . 5 1 1 A 37 37 GLU CB C 46 28.787 29.364 -0.577 1
1 434 . 5 1 1 A 37 37 GLU N N 46 117.277 118.551 -1.274 1
1 435 . 5 1 1 A 38 38 GLU H H 47 7.598 8.286 -0.688 1
1 436 . 5 1 1 A 38 38 GLU HA H 47 4.041 4.020 0.021 1
1 441 . 5 1 1 A 38 38 GLU C C 47 177.743 178.949 -1.206 1
1 442 . 5 1 1 A 38 38 GLU CA C 47 58.788 59.136 -0.348 1
1 443 . 5 1 1 A 38 38 GLU CB C 47 29.349 29.165 0.184 1
1 445 . 5 1 1 A 38 38 GLU N N 47 119.258 120.277 -1.019 1
1 446 . 5 1 1 A 39 39 MET H H 48 7.918 8.071 -0.153 1
1 447 . 5 1 1 A 39 39 MET HA H 48 3.612 4.373 -0.761 1
1 452 . 5 1 1 A 39 39 MET C C 48 178.232 178.541 -0.309 1
1 453 . 5 1 1 A 39 39 MET CA C 48 58.226 58.845 -0.619 1
1 454 . 5 1 1 A 39 39 MET CB C 48 32.351 32.087 0.264 1
1 456 . 5 1 1 A 39 39 MET N N 48 120.952 119.556 1.396 1
1 457 . 5 1 1 A 40 40 LEU H H 49 8.042 7.911 0.131 1
1 458 . 5 1 1 A 40 40 LEU HA H 49 3.867 4.042 -0.175 1
1 468 . 5 1 1 A 40 40 LEU C C 49 179.543 178.827 0.716 1
1 469 . 5 1 1 A 40 40 LEU CA C 49 56.726 57.441 -0.715 1
1 470 . 5 1 1 A 40 40 LEU CB C 49 41.913 41.264 0.649 1
1 474 . 5 1 1 A 40 40 LEU N N 49 119.191 121.007 -1.816 1
1 475 . 5 1 1 A 41 41 LYS H H 50 7.604 8.099 -0.495 1
1 476 . 5 1 1 A 41 41 LYS HA H 50 3.957 3.759 0.198 1
1 485 . 5 1 1 A 41 41 LYS C C 50 178.305 179.533 -1.228 1
1 486 . 5 1 1 A 41 41 LYS CA C 50 58.788 60.424 -1.636 1
1 487 . 5 1 1 A 41 41 LYS CB C 50 32.726 32.177 0.549 1
1 491 . 5 1 1 A 41 41 LYS N N 50 119.815 119.736 0.079 1
1 492 . 5 1 1 A 42 42 GLU H H 51 7.972 7.465 0.507 1
1 493 . 5 1 1 A 42 42 GLU HA H 51 4.238 4.134 0.104 1
1 498 . 5 1 1 A 42 42 GLU C C 51 177.837 177.748 0.089 1
1 499 . 5 1 1 A 42 42 GLU CA C 51 56.913 57.754 -0.841 1
1 500 . 5 1 1 A 42 42 GLU CB C 51 30.660 29.870 0.790 1
1 502 . 5 1 1 A 42 42 GLU N N 51 116.691 117.405 -0.714 1
1 503 . 5 1 1 A 43 43 GLY H H 52 8.022 8.323 -0.301 1
1 504 . 5 1 1 A 43 43 GLY HA2 H 52 4.051 3.914 0.137 1
1 505 . 5 1 1 A 43 43 GLY HA3 H 52 3.778 3.946 -0.168 1
1 506 . 5 1 1 A 43 43 GLY C C 52 174.278 174.327 -0.049 1
1 507 . 5 1 1 A 43 43 GLY CA C 52 46.037 46.274 -0.237 1
1 508 . 5 1 1 A 43 43 GLY N N 52 108.181 108.208 -0.027 1
1 509 . 5 1 1 A 44 44 TYR H H 53 7.184 7.983 -0.799 1
1 510 . 5 1 1 A 44 44 TYR HA H 53 4.787 4.560 0.227 1
1 517 . 5 1 1 A 44 44 TYR C C 53 174.725 175.129 -0.404 1
1 518 . 5 1 1 A 44 44 TYR CA C 53 55.976 57.670 -1.694 1
1 519 . 5 1 1 A 44 44 TYR CB C 53 38.913 39.550 -0.637 1
1 522 . 5 1 1 A 44 44 TYR N N 53 117.550 119.438 -1.888 1
1 523 . 5 1 1 A 45 45 ARG H H 54 7.969 8.492 -0.523 1
1 524 . 5 1 1 A 45 45 ARG HA H 54 4.412 4.287 0.125 1
1 531 . 5 1 1 A 45 45 ARG C C 54 174.902 175.908 -1.006 1
1 532 . 5 1 1 A 45 45 ARG CA C 54 54.849 56.738 -1.889 1
1 533 . 5 1 1 A 45 45 ARG CB C 54 32.164 30.380 1.784 1
1 536 . 5 1 1 A 45 45 ARG N N 54 120.614 119.981 0.633 1
1 537 . 5 1 1 A 46 46 CYS H H 55 8.579 8.527 0.052 1
1 538 . 5 1 1 A 46 46 CYS HA H 55 4.236 4.202 0.034 1
1 541 . 5 1 1 A 46 46 CYS CA C 55 57.477 57.605 -0.128 1
1 542 . 5 1 1 A 46 46 CYS CB C 55 30.849 27.519 3.330 1
1 543 . 5 1 1 A 46 46 CYS N N 55 123.189 123.933 -0.744 1
1 544 . 5 1 1 A 47 47 PRO HA H 56 4.459 4.396 0.063 1
1 551 . 5 1 1 A 47 47 PRO C C 56 178.242 178.342 -0.100 1
1 552 . 5 1 1 A 47 47 PRO CA C 56 64.225 64.599 -0.374 1
1 553 . 5 1 1 A 47 47 PRO CB C 56 32.913 32.166 0.747 1
1 556 . 5 1 1 A 48 48 LEU H H 57 8.285 7.411 0.874 1
1 557 . 5 1 1 A 48 48 LEU HA H 57 4.191 4.427 -0.236 1
1 567 . 5 1 1 A 48 48 LEU C C 57 178.783 179.344 -0.561 1
1 568 . 5 1 1 A 48 48 LEU CA C 57 55.789 56.832 -1.043 1
1 569 . 5 1 1 A 48 48 LEU CB C 57 41.163 40.759 0.404 1
1 573 . 5 1 1 A 48 48 LEU N N 57 119.589 116.986 2.603 1
1 574 . 5 1 1 A 49 49 CYS H H 58 7.949 7.669 0.280 1
1 575 . 5 1 1 A 49 49 CYS HA H 58 4.281 4.466 -0.185 1
1 578 . 5 1 1 A 49 49 CYS C C 58 176.088 176.269 -0.181 1
1 579 . 5 1 1 A 49 49 CYS CA C 58 63.475 62.132 1.343 1
1 580 . 5 1 1 A 49 49 CYS CB C 58 30.099 27.372 2.727 1
1 581 . 5 1 1 A 49 49 CYS N N 58 123.132 118.280 4.852 1
1 582 . 5 1 1 A 50 50 MET H H 59 7.717 8.087 -0.370 1
1 583 . 5 1 1 A 50 50 MET HA H 59 4.332 4.604 -0.272 1
1 588 . 5 1 1 A 50 50 MET C C 59 175.870 175.429 0.441 1
1 589 . 5 1 1 A 50 50 MET CA C 59 55.601 55.273 0.328 1
1 590 . 5 1 1 A 50 50 MET CB C 59 32.164 33.832 -1.668 1
1 592 . 5 1 1 A 50 50 MET N N 59 118.057 115.493 2.564 1
1 593 . 5 1 1 A 51 51 HIS H H 60 7.965 7.829 0.136 1
1 594 . 5 1 1 A 51 51 HIS HA H 60 4.709 5.149 -0.440 1
1 598 . 5 1 1 A 51 51 HIS C C 60 174.267 173.637 0.630 1
1 599 . 5 1 1 A 51 51 HIS CA C 60 55.601 54.583 1.018 1
1 600 . 5 1 1 A 51 51 HIS CB C 60 30.661 34.584 -3.923 1
1 602 . 5 1 1 A 51 51 HIS N N 60 119.437 117.759 1.678 1
1 12 . 6 1 1 A 2 2 ASN H H 11 8.476 8.571 -0.095 1
1 13 . 6 1 1 A 2 2 ASN HA H 11 4.704 5.112 -0.408 1
1 16 . 6 1 1 A 2 2 ASN C C 11 175.058 175.049 0.009 1
1 17 . 6 1 1 A 2 2 ASN CA C 11 53.375 52.926 0.449 1
1 18 . 6 1 1 A 2 2 ASN CB C 11 38.913 42.184 -3.271 1
1 19 . 6 1 1 A 2 2 ASN N N 11 119.245 123.108 -3.863 1
1 20 . 6 1 1 A 3 3 VAL H H 12 8.023 8.628 -0.605 1
1 21 . 6 1 1 A 3 3 VAL HA H 12 4.171 3.866 0.305 1
1 29 . 6 1 1 A 3 3 VAL C C 12 176.120 175.956 0.164 1
1 30 . 6 1 1 A 3 3 VAL CA C 12 61.975 64.798 -2.823 1
1 31 . 6 1 1 A 3 3 VAL CB C 12 32.913 31.786 1.127 1
1 34 . 6 1 1 A 3 3 VAL N N 12 119.852 122.316 -2.464 1
1 35 . 6 1 1 A 4 4 SER H H 13 8.384 7.973 0.411 1
1 36 . 6 1 1 A 4 4 SER HA H 13 4.452 4.795 -0.343 1
1 39 . 6 1 1 A 4 4 SER C C 13 174.153 175.277 -1.124 1
1 40 . 6 1 1 A 4 4 SER CA C 13 58.226 55.394 2.832 1
1 41 . 6 1 1 A 4 4 SER CB C 13 63.663 65.785 -2.122 1
1 42 . 6 1 1 A 4 4 SER N N 13 119.429 115.151 4.278 1
1 43 . 6 1 1 A 5 5 GLN H H 14 8.299 8.931 -0.632 1
1 44 . 6 1 1 A 5 5 GLN HA H 14 4.332 4.180 0.152 1
1 49 . 6 1 1 A 5 5 GLN C C 14 175.152 175.128 0.024 1
1 50 . 6 1 1 A 5 5 GLN CA C 14 56.164 58.579 -2.415 1
1 51 . 6 1 1 A 5 5 GLN CB C 14 29.724 29.517 0.207 1
1 53 . 6 1 1 A 5 5 GLN N N 14 123.721 121.743 1.978 1
1 54 . 6 1 1 A 6 6 GLN H H 15 8.692 7.663 1.029 1
1 55 . 6 1 1 A 6 6 GLN HA H 15 4.343 4.767 -0.424 1
1 60 . 6 1 1 A 6 6 GLN C C 15 175.193 174.771 0.422 1
1 61 . 6 1 1 A 6 6 GLN CA C 15 56.539 54.570 1.969 1
1 62 . 6 1 1 A 6 6 GLN CB C 15 30.474 32.117 -1.643 1
1 64 . 6 1 1 A 6 6 GLN N N 15 124.240 116.224 8.016 1
1 65 . 6 1 1 A 7 7 ASN H H 16 8.291 8.845 -0.554 1
1 66 . 6 1 1 A 7 7 ASN HA H 16 5.049 5.561 -0.512 1
1 69 . 6 1 1 A 7 7 ASN C C 16 175.141 174.009 1.132 1
1 70 . 6 1 1 A 7 7 ASN CA C 16 52.224 51.970 0.254 1
1 71 . 6 1 1 A 7 7 ASN CB C 16 40.600 40.055 0.545 1
1 72 . 6 1 1 A 7 7 ASN N N 16 116.809 118.693 -1.884 1
1 73 . 6 1 1 A 8 8 CYS H H 17 8.737 9.096 -0.359 1
1 74 . 6 1 1 A 8 8 CYS HA H 17 4.584 4.578 0.006 1
1 77 . 6 1 1 A 8 8 CYS CA C 17 56.164 56.691 -0.527 1
1 78 . 6 1 1 A 8 8 CYS CB C 17 31.976 28.928 3.048 1
1 79 . 6 1 1 A 8 8 CYS N N 17 127.386 123.150 4.236 1
1 80 . 6 1 1 A 9 9 PRO HA H 18 4.457 4.429 0.028 1
1 87 . 6 1 1 A 9 9 PRO C C 18 175.922 177.666 -1.744 1
1 88 . 6 1 1 A 9 9 PRO CA C 18 63.663 64.104 -0.441 1
1 89 . 6 1 1 A 9 9 PRO CB C 18 32.913 31.823 1.090 1
1 92 . 6 1 1 A 10 10 ILE H H 19 8.471 8.184 0.287 1
1 93 . 6 1 1 A 10 10 ILE HA H 19 4.171 3.987 0.184 1
1 103 . 6 1 1 A 10 10 ILE C C 19 175.891 177.317 -1.426 1
1 104 . 6 1 1 A 10 10 ILE CA C 19 62.350 63.427 -1.077 1
1 105 . 6 1 1 A 10 10 ILE CB C 19 37.226 38.367 -1.141 1
1 109 . 6 1 1 A 10 10 ILE N N 19 121.858 116.317 5.541 1
1 110 . 6 1 1 A 11 11 CYS H H 20 7.443 7.569 -0.126 1
1 111 . 6 1 1 A 11 11 CYS HA H 20 4.841 4.653 0.188 1
1 114 . 6 1 1 A 11 11 CYS C C 20 175.683 175.198 0.485 1
1 115 . 6 1 1 A 11 11 CYS CA C 20 57.851 58.357 -0.506 1
1 116 . 6 1 1 A 11 11 CYS CB C 20 31.601 29.003 2.598 1
1 117 . 6 1 1 A 11 11 CYS N N 20 115.827 117.336 -1.509 1
1 118 . 6 1 1 A 12 12 LEU H H 21 7.940 8.059 -0.119 1
1 119 . 6 1 1 A 12 12 LEU HA H 21 4.241 3.851 0.390 1
1 129 . 6 1 1 A 12 12 LEU C C 21 176.286 175.478 0.808 1
1 130 . 6 1 1 A 12 12 LEU CA C 21 56.726 56.266 0.460 1
1 131 . 6 1 1 A 12 12 LEU CB C 21 38.163 40.059 -1.896 1
1 135 . 6 1 1 A 12 12 LEU N N 21 118.743 116.993 1.750 1
1 136 . 6 1 1 A 13 13 GLU H H 22 8.545 7.448 1.097 1
1 137 . 6 1 1 A 13 13 GLU HA H 22 4.700 4.645 0.055 1
1 142 . 6 1 1 A 13 13 GLU C C 22 176.910 175.061 1.849 1
1 143 . 6 1 1 A 13 13 GLU CA C 22 55.224 55.265 -0.041 1
1 144 . 6 1 1 A 13 13 GLU CB C 22 31.414 31.832 -0.418 1
1 146 . 6 1 1 A 13 13 GLU N N 22 119.659 118.784 0.875 1
1 147 . 6 1 1 A 14 14 ASP H H 23 8.705 8.590 0.115 1
1 148 . 6 1 1 A 14 14 ASP HA H 23 4.732 4.839 -0.107 1
1 151 . 6 1 1 A 14 14 ASP C C 23 177.077 175.799 1.278 1
1 152 . 6 1 1 A 14 14 ASP CA C 23 55.414 54.536 0.878 1
1 153 . 6 1 1 A 14 14 ASP CB C 23 42.288 41.822 0.466 1
1 154 . 6 1 1 A 14 14 ASP N N 23 121.813 121.501 0.312 1
1 155 . 6 1 1 A 15 15 ILE H H 24 8.603 8.673 -0.070 1
1 156 . 6 1 1 A 15 15 ILE HA H 24 4.173 4.847 -0.674 1
1 166 . 6 1 1 A 15 15 ILE C C 24 174.920 173.789 1.131 1
1 167 . 6 1 1 A 15 15 ILE CA C 24 59.726 60.323 -0.597 1
1 168 . 6 1 1 A 15 15 ILE CB C 24 40.413 40.987 -0.574 1
1 172 . 6 1 1 A 15 15 ILE N N 24 123.686 125.499 -1.813 1
1 173 . 6 1 1 A 16 16 HIS H H 25 8.581 9.202 -0.621 1
1 174 . 6 1 1 A 16 16 HIS HA H 25 4.685 5.009 -0.324 1
1 178 . 6 1 1 A 16 16 HIS C C 25 176.609 177.028 -0.419 1
1 179 . 6 1 1 A 16 16 HIS CA C 25 56.913 54.764 2.149 1
1 180 . 6 1 1 A 16 16 HIS CB C 25 30.474 32.185 -1.711 1
1 182 . 6 1 1 A 16 16 HIS N N 25 123.042 127.460 -4.418 1
1 183 . 6 1 1 A 17 17 THR H H 26 8.241 8.149 0.092 1
1 184 . 6 1 1 A 17 17 THR HA H 26 4.303 3.841 0.462 1
1 189 . 6 1 1 A 17 17 THR C C 26 175.037 175.269 -0.232 1
1 190 . 6 1 1 A 17 17 THR CA C 26 62.913 64.310 -1.397 1
1 191 . 6 1 1 A 17 17 THR CB C 26 68.912 68.222 0.690 1
1 193 . 6 1 1 A 17 17 THR N N 26 114.128 116.220 -2.092 1
1 194 . 6 1 1 A 18 18 SER H H 27 8.160 7.629 0.531 1
1 195 . 6 1 1 A 18 18 SER HA H 27 4.514 4.290 0.224 1
1 198 . 6 1 1 A 18 18 SER C C 27 175.058 174.135 0.923 1
1 199 . 6 1 1 A 18 18 SER CA C 27 58.413 60.051 -1.638 1
1 200 . 6 1 1 A 18 18 SER CB C 27 63.100 63.151 -0.051 1
1 201 . 6 1 1 A 18 18 SER N N 27 116.330 119.501 -3.171 1
1 202 . 6 1 1 A 19 19 ARG H H 28 8.200 8.692 -0.492 1
1 203 . 6 1 1 A 19 19 ARG HA H 28 4.233 4.450 -0.217 1
1 210 . 6 1 1 A 19 19 ARG C C 28 176.463 178.385 -1.922 1
1 211 . 6 1 1 A 19 19 ARG CA C 28 57.293 58.688 -1.395 1
1 212 . 6 1 1 A 19 19 ARG CB C 28 30.474 29.930 0.544 1
1 215 . 6 1 1 A 19 19 ARG N N 28 121.067 126.855 -5.788 1
1 216 . 6 1 1 A 20 20 VAL H H 29 7.789 7.973 -0.184 1
1 217 . 6 1 1 A 20 20 VAL HA H 29 4.294 3.654 0.640 1
1 225 . 6 1 1 A 20 20 VAL C C 29 175.599 177.597 -1.998 1
1 226 . 6 1 1 A 20 20 VAL CA C 29 61.601 66.022 -4.421 1
1 227 . 6 1 1 A 20 20 VAL CB C 29 33.476 31.519 1.957 1
1 229 . 6 1 1 A 20 20 VAL N N 29 117.329 119.923 -2.594 1
1 230 . 6 1 1 A 21 21 VAL H H 30 8.068 7.442 0.626 1
1 231 . 6 1 1 A 21 21 VAL HA H 30 4.253 4.019 0.234 1
1 239 . 6 1 1 A 21 21 VAL C C 30 175.589 176.104 -0.515 1
1 240 . 6 1 1 A 21 21 VAL CA C 30 62.163 64.450 -2.287 1
1 241 . 6 1 1 A 21 21 VAL CB C 30 32.164 33.039 -0.875 1
1 244 . 6 1 1 A 21 21 VAL N N 30 121.049 117.317 3.732 1
1 245 . 6 1 1 A 22 22 ALA H H 31 8.303 8.037 0.266 1
1 246 . 6 1 1 A 22 22 ALA HA H 31 4.609 4.582 0.027 1
1 250 . 6 1 1 A 22 22 ALA C C 31 176.307 176.840 -0.533 1
1 251 . 6 1 1 A 22 22 ALA CA C 31 51.662 50.849 0.813 1
1 252 . 6 1 1 A 22 22 ALA CB C 31 20.725 19.940 0.785 1
1 253 . 6 1 1 A 22 22 ALA N N 31 127.856 123.284 4.572 1
1 254 . 6 1 1 A 23 23 HIS H H 32 9.100 9.032 0.068 1
1 255 . 6 1 1 A 23 23 HIS HA H 32 4.488 4.472 0.016 1
1 259 . 6 1 1 A 23 23 HIS C C 32 173.154 174.244 -1.090 1
1 260 . 6 1 1 A 23 23 HIS CA C 32 56.164 57.834 -1.670 1
1 261 . 6 1 1 A 23 23 HIS CB C 32 33.476 30.422 3.054 1
1 263 . 6 1 1 A 23 23 HIS N N 32 121.613 125.747 -4.134 1
1 264 . 6 1 1 A 24 24 VAL H H 33 7.498 8.206 -0.708 1
1 265 . 6 1 1 A 24 24 VAL HA H 33 4.130 4.551 -0.421 1
1 273 . 6 1 1 A 24 24 VAL C C 33 175.859 175.889 -0.030 1
1 274 . 6 1 1 A 24 24 VAL CA C 33 61.038 61.822 -0.784 1
1 275 . 6 1 1 A 24 24 VAL CB C 33 31.976 32.605 -0.629 1
1 278 . 6 1 1 A 24 24 VAL N N 33 126.760 127.111 -0.351 1
1 279 . 6 1 1 A 25 25 LEU H H 34 8.426 9.050 -0.624 1
1 280 . 6 1 1 A 25 25 LEU HA H 34 4.461 4.585 -0.124 1
1 290 . 6 1 1 A 25 25 LEU CA C 34 54.661 53.484 1.177 1
1 291 . 6 1 1 A 25 25 LEU CB C 34 43.787 41.283 2.504 1
1 295 . 6 1 1 A 25 25 LEU N N 34 127.479 129.559 -2.080 1
1 296 . 6 1 1 A 26 26 PRO HA H 35 4.302 4.456 -0.154 1
1 303 . 6 1 1 A 26 26 PRO C C 35 176.494 177.137 -0.643 1
1 304 . 6 1 1 A 26 26 PRO CA C 35 65.350 64.439 0.911 1
1 305 . 6 1 1 A 26 26 PRO CB C 35 31.789 31.792 -0.003 1
1 308 . 6 1 1 A 27 27 CYS H H 36 7.266 7.750 -0.484 1
1 309 . 6 1 1 A 27 27 CYS HA H 36 4.407 4.537 -0.130 1
1 312 . 6 1 1 A 27 27 CYS C C 36 176.016 174.681 1.335 1
1 313 . 6 1 1 A 27 27 CYS CA C 36 56.726 58.363 -1.637 1
1 314 . 6 1 1 A 27 27 CYS CB C 36 31.601 27.700 3.901 1
1 315 . 6 1 1 A 27 27 CYS N N 36 111.241 116.880 -5.639 1
1 316 . 6 1 1 A 28 28 GLY H H 37 8.211 8.225 -0.014 1
1 317 . 6 1 1 A 28 28 GLY HA2 H 37 4.122 3.832 0.290 1
1 318 . 6 1 1 A 28 28 GLY HA3 H 37 3.329 3.890 -0.561 1
1 319 . 6 1 1 A 28 28 GLY C C 37 173.903 174.091 -0.188 1
1 320 . 6 1 1 A 28 28 GLY CA C 37 44.725 45.108 -0.383 1
1 321 . 6 1 1 A 28 28 GLY N N 37 111.309 109.438 1.871 1
1 322 . 6 1 1 A 29 29 HIS H H 38 8.109 7.617 0.492 1
1 323 . 6 1 1 A 29 29 HIS HA H 38 4.622 4.606 0.016 1
1 327 . 6 1 1 A 29 29 HIS C C 38 173.029 174.866 -1.837 1
1 328 . 6 1 1 A 29 29 HIS CA C 38 59.351 56.185 3.166 1
1 329 . 6 1 1 A 29 29 HIS CB C 38 31.224 30.708 0.516 1
1 331 . 6 1 1 A 29 29 HIS N N 38 121.624 119.168 2.456 1
1 332 . 6 1 1 A 30 30 LEU H H 39 8.923 8.534 0.389 1
1 333 . 6 1 1 A 30 30 LEU HA H 39 5.112 5.216 -0.104 1
1 343 . 6 1 1 A 30 30 LEU C C 39 176.380 175.715 0.665 1
1 344 . 6 1 1 A 30 30 LEU CA C 39 54.474 53.567 0.907 1
1 345 . 6 1 1 A 30 30 LEU CB C 39 45.662 44.951 0.711 1
1 349 . 6 1 1 A 30 30 LEU N N 39 120.785 121.348 -0.563 1
1 350 . 6 1 1 A 31 31 LEU H H 40 8.586 8.595 -0.009 1
1 351 . 6 1 1 A 31 31 LEU HA H 40 5.144 4.801 0.343 1
1 361 . 6 1 1 A 31 31 LEU C C 40 177.701 175.678 2.023 1
1 362 . 6 1 1 A 31 31 LEU CA C 40 53.161 53.934 -0.773 1
1 363 . 6 1 1 A 31 31 LEU CB C 40 47.350 45.153 2.197 1
1 366 . 6 1 1 A 31 31 LEU N N 40 117.837 119.756 -1.919 1
1 367 . 6 1 1 A 32 32 HIS H H 41 7.726 7.855 -0.129 1
1 368 . 6 1 1 A 32 32 HIS HA H 41 4.693 4.791 -0.098 1
1 372 . 6 1 1 A 32 32 HIS C C 41 176.994 176.284 0.710 1
1 373 . 6 1 1 A 32 32 HIS CA C 41 59.913 55.070 4.843 1
1 374 . 6 1 1 A 32 32 HIS CB C 41 31.036 31.732 -0.696 1
1 376 . 6 1 1 A 32 32 HIS N N 41 118.242 115.923 2.319 1
1 377 . 6 1 1 A 33 33 ARG H H 42 9.564 9.118 0.446 1
1 378 . 6 1 1 A 33 33 ARG HA H 42 4.055 3.922 0.133 1
1 385 . 6 1 1 A 33 33 ARG C C 42 178.388 178.699 -0.311 1
1 386 . 6 1 1 A 33 33 ARG CA C 42 60.476 60.046 0.430 1
1 387 . 6 1 1 A 33 33 ARG CB C 42 29.536 30.078 -0.542 1
1 390 . 6 1 1 A 33 33 ARG N N 42 124.900 120.169 4.731 1
1 391 . 6 1 1 A 34 34 THR H H 43 8.386 8.463 -0.077 1
1 392 . 6 1 1 A 34 34 THR HA H 43 4.101 3.955 0.146 1
1 397 . 6 1 1 A 34 34 THR C C 43 177.285 177.081 0.204 1
1 398 . 6 1 1 A 34 34 THR CA C 43 64.788 66.707 -1.919 1
1 399 . 6 1 1 A 34 34 THR CB C 43 67.787 68.153 -0.366 1
1 401 . 6 1 1 A 34 34 THR N N 43 109.798 114.452 -4.654 1
1 402 . 6 1 1 A 35 35 CYS H H 44 6.825 8.500 -1.675 1
1 403 . 6 1 1 A 35 35 CYS HA H 44 4.066 4.629 -0.563 1
1 406 . 6 1 1 A 35 35 CYS C C 44 176.671 177.232 -0.561 1
1 407 . 6 1 1 A 35 35 CYS CA C 44 63.100 62.429 0.671 1
1 408 . 6 1 1 A 35 35 CYS CB C 44 28.787 27.133 1.654 1
1 409 . 6 1 1 A 35 35 CYS N N 44 123.057 118.023 5.034 1
1 410 . 6 1 1 A 36 36 TYR H H 45 8.484 8.182 0.302 1
1 411 . 6 1 1 A 36 36 TYR HA H 45 4.200 4.058 0.142 1
1 418 . 6 1 1 A 36 36 TYR C C 45 176.140 177.891 -1.751 1
1 419 . 6 1 1 A 36 36 TYR CA C 45 60.101 61.367 -1.266 1
1 420 . 6 1 1 A 36 36 TYR CB C 45 37.601 38.541 -0.940 1
1 423 . 6 1 1 A 36 36 TYR N N 45 119.972 123.409 -3.437 1
1 424 . 6 1 1 A 37 37 GLU H H 46 7.925 8.015 -0.090 1
1 425 . 6 1 1 A 37 37 GLU HA H 46 3.546 3.544 0.002 1
1 430 . 6 1 1 A 37 37 GLU C C 46 179.574 178.913 0.661 1
1 431 . 6 1 1 A 37 37 GLU CA C 46 59.351 59.787 -0.436 1
1 432 . 6 1 1 A 37 37 GLU CB C 46 28.787 29.294 -0.507 1
1 434 . 6 1 1 A 37 37 GLU N N 46 117.277 118.618 -1.341 1
1 435 . 6 1 1 A 38 38 GLU H H 47 7.598 8.266 -0.668 1
1 436 . 6 1 1 A 38 38 GLU HA H 47 4.041 4.038 0.003 1
1 441 . 6 1 1 A 38 38 GLU C C 47 177.743 178.937 -1.194 1
1 442 . 6 1 1 A 38 38 GLU CA C 47 58.788 59.259 -0.471 1
1 443 . 6 1 1 A 38 38 GLU CB C 47 29.349 29.081 0.268 1
1 445 . 6 1 1 A 38 38 GLU N N 47 119.258 120.366 -1.108 1
1 446 . 6 1 1 A 39 39 MET H H 48 7.918 7.825 0.093 1
1 447 . 6 1 1 A 39 39 MET HA H 48 3.612 4.397 -0.785 1
1 452 . 6 1 1 A 39 39 MET C C 48 178.232 178.584 -0.352 1
1 453 . 6 1 1 A 39 39 MET CA C 48 58.226 58.388 -0.162 1
1 454 . 6 1 1 A 39 39 MET CB C 48 32.351 32.529 -0.178 1
1 456 . 6 1 1 A 39 39 MET N N 48 120.952 119.499 1.453 1
1 457 . 6 1 1 A 40 40 LEU H H 49 8.042 7.859 0.183 1
1 458 . 6 1 1 A 40 40 LEU HA H 49 3.867 3.934 -0.067 1
1 468 . 6 1 1 A 40 40 LEU C C 49 179.543 178.146 1.397 1
1 469 . 6 1 1 A 40 40 LEU CA C 49 56.726 57.687 -0.961 1
1 470 . 6 1 1 A 40 40 LEU CB C 49 41.913 41.520 0.393 1
1 474 . 6 1 1 A 40 40 LEU N N 49 119.191 121.196 -2.005 1
1 475 . 6 1 1 A 41 41 LYS H H 50 7.604 8.307 -0.703 1
1 476 . 6 1 1 A 41 41 LYS HA H 50 3.957 3.844 0.113 1
1 485 . 6 1 1 A 41 41 LYS C C 50 178.305 178.866 -0.561 1
1 486 . 6 1 1 A 41 41 LYS CA C 50 58.788 59.925 -1.137 1
1 487 . 6 1 1 A 41 41 LYS CB C 50 32.726 32.263 0.463 1
1 491 . 6 1 1 A 41 41 LYS N N 50 119.815 119.182 0.633 1
1 492 . 6 1 1 A 42 42 GLU H H 51 7.972 7.467 0.505 1
1 493 . 6 1 1 A 42 42 GLU HA H 51 4.238 4.116 0.122 1
1 498 . 6 1 1 A 42 42 GLU C C 51 177.837 177.618 0.219 1
1 499 . 6 1 1 A 42 42 GLU CA C 51 56.913 58.194 -1.281 1
1 500 . 6 1 1 A 42 42 GLU CB C 51 30.660 29.872 0.788 1
1 502 . 6 1 1 A 42 42 GLU N N 51 116.691 116.848 -0.157 1
1 503 . 6 1 1 A 43 43 GLY H H 52 8.022 8.153 -0.131 1
1 504 . 6 1 1 A 43 43 GLY HA2 H 52 4.051 3.879 0.172 1
1 505 . 6 1 1 A 43 43 GLY HA3 H 52 3.778 3.917 -0.139 1
1 506 . 6 1 1 A 43 43 GLY C C 52 174.278 174.265 0.013 1
1 507 . 6 1 1 A 43 43 GLY CA C 52 46.037 45.838 0.199 1
1 508 . 6 1 1 A 43 43 GLY N N 52 108.181 107.837 0.344 1
1 509 . 6 1 1 A 44 44 TYR H H 53 7.184 7.949 -0.765 1
1 510 . 6 1 1 A 44 44 TYR HA H 53 4.787 4.591 0.196 1
1 517 . 6 1 1 A 44 44 TYR C C 53 174.725 175.268 -0.543 1
1 518 . 6 1 1 A 44 44 TYR CA C 53 55.976 57.581 -1.605 1
1 519 . 6 1 1 A 44 44 TYR CB C 53 38.913 39.570 -0.657 1
1 522 . 6 1 1 A 44 44 TYR N N 53 117.550 119.216 -1.666 1
1 523 . 6 1 1 A 45 45 ARG H H 54 7.969 8.523 -0.554 1
1 524 . 6 1 1 A 45 45 ARG HA H 54 4.412 4.265 0.147 1
1 531 . 6 1 1 A 45 45 ARG C C 54 174.902 175.845 -0.943 1
1 532 . 6 1 1 A 45 45 ARG CA C 54 54.849 56.683 -1.834 1
1 533 . 6 1 1 A 45 45 ARG CB C 54 32.164 30.328 1.836 1
1 536 . 6 1 1 A 45 45 ARG N N 54 120.614 119.999 0.615 1
1 537 . 6 1 1 A 46 46 CYS H H 55 8.579 8.499 0.080 1
1 538 . 6 1 1 A 46 46 CYS HA H 55 4.236 4.204 0.032 1
1 541 . 6 1 1 A 46 46 CYS CA C 55 57.477 57.587 -0.110 1
1 542 . 6 1 1 A 46 46 CYS CB C 55 30.849 27.570 3.279 1
1 543 . 6 1 1 A 46 46 CYS N N 55 123.189 123.979 -0.790 1
1 544 . 6 1 1 A 47 47 PRO HA H 56 4.459 4.433 0.026 1
1 551 . 6 1 1 A 47 47 PRO C C 56 178.242 178.084 0.158 1
1 552 . 6 1 1 A 47 47 PRO CA C 56 64.225 64.346 -0.121 1
1 553 . 6 1 1 A 47 47 PRO CB C 56 32.913 32.027 0.886 1
1 556 . 6 1 1 A 48 48 LEU H H 57 8.285 7.562 0.723 1
1 557 . 6 1 1 A 48 48 LEU HA H 57 4.191 4.079 0.112 1
1 567 . 6 1 1 A 48 48 LEU C C 57 178.783 177.901 0.882 1
1 568 . 6 1 1 A 48 48 LEU CA C 57 55.789 56.043 -0.254 1
1 569 . 6 1 1 A 48 48 LEU CB C 57 41.163 40.968 0.195 1
1 573 . 6 1 1 A 48 48 LEU N N 57 119.589 116.428 3.161 1
1 574 . 6 1 1 A 49 49 CYS H H 58 7.949 7.780 0.169 1
1 575 . 6 1 1 A 49 49 CYS HA H 58 4.281 4.380 -0.099 1
1 578 . 6 1 1 A 49 49 CYS C C 58 176.088 175.221 0.867 1
1 579 . 6 1 1 A 49 49 CYS CA C 58 63.475 61.157 2.318 1
1 580 . 6 1 1 A 49 49 CYS CB C 58 30.099 26.678 3.421 1
1 581 . 6 1 1 A 49 49 CYS N N 58 123.132 117.414 5.718 1
1 582 . 6 1 1 A 50 50 MET H H 59 7.717 7.949 -0.232 1
1 583 . 6 1 1 A 50 50 MET HA H 59 4.332 4.485 -0.153 1
1 588 . 6 1 1 A 50 50 MET C C 59 175.870 174.731 1.139 1
1 589 . 6 1 1 A 50 50 MET CA C 59 55.601 54.885 0.716 1
1 590 . 6 1 1 A 50 50 MET CB C 59 32.164 33.238 -1.074 1
1 592 . 6 1 1 A 50 50 MET N N 59 118.057 117.805 0.252 1
1 593 . 6 1 1 A 51 51 HIS H H 60 7.965 7.496 0.469 1
1 594 . 6 1 1 A 51 51 HIS HA H 60 4.709 5.103 -0.394 1
1 598 . 6 1 1 A 51 51 HIS C C 60 174.267 173.505 0.762 1
1 599 . 6 1 1 A 51 51 HIS CA C 60 55.601 54.563 1.038 1
1 600 . 6 1 1 A 51 51 HIS CB C 60 30.661 31.203 -0.542 1
1 602 . 6 1 1 A 51 51 HIS N N 60 119.437 118.420 1.017 1
1 12 . 7 1 1 A 2 2 ASN H H 11 8.476 8.663 -0.187 1
1 13 . 7 1 1 A 2 2 ASN HA H 11 4.704 5.102 -0.398 1
1 16 . 7 1 1 A 2 2 ASN C C 11 175.058 174.239 0.819 1
1 17 . 7 1 1 A 2 2 ASN CA C 11 53.375 52.501 0.874 1
1 18 . 7 1 1 A 2 2 ASN CB C 11 38.913 38.207 0.706 1
1 19 . 7 1 1 A 2 2 ASN N N 11 119.245 118.997 0.248 1
1 20 . 7 1 1 A 3 3 VAL H H 12 8.023 8.249 -0.226 1
1 21 . 7 1 1 A 3 3 VAL HA H 12 4.171 4.246 -0.075 1
1 29 . 7 1 1 A 3 3 VAL C C 12 176.120 174.872 1.248 1
1 30 . 7 1 1 A 3 3 VAL CA C 12 61.975 61.383 0.592 1
1 31 . 7 1 1 A 3 3 VAL CB C 12 32.913 31.035 1.878 1
1 34 . 7 1 1 A 3 3 VAL N N 12 119.852 121.183 -1.331 1
1 35 . 7 1 1 A 4 4 SER H H 13 8.384 8.703 -0.319 1
1 36 . 7 1 1 A 4 4 SER HA H 13 4.452 4.592 -0.140 1
1 39 . 7 1 1 A 4 4 SER C C 13 174.153 173.603 0.550 1
1 40 . 7 1 1 A 4 4 SER CA C 13 58.226 57.356 0.870 1
1 41 . 7 1 1 A 4 4 SER CB C 13 63.663 62.179 1.484 1
1 42 . 7 1 1 A 4 4 SER N N 13 119.429 121.779 -2.350 1
1 43 . 7 1 1 A 5 5 GLN H H 14 8.299 8.036 0.263 1
1 44 . 7 1 1 A 5 5 GLN HA H 14 4.332 4.894 -0.562 1
1 49 . 7 1 1 A 5 5 GLN C C 14 175.152 174.371 0.781 1
1 50 . 7 1 1 A 5 5 GLN CA C 14 56.164 54.806 1.358 1
1 51 . 7 1 1 A 5 5 GLN CB C 14 29.724 32.169 -2.445 1
1 53 . 7 1 1 A 5 5 GLN N N 14 123.721 126.607 -2.886 1
1 54 . 7 1 1 A 6 6 GLN H H 15 8.692 8.588 0.104 1
1 55 . 7 1 1 A 6 6 GLN HA H 15 4.343 4.559 -0.216 1
1 60 . 7 1 1 A 6 6 GLN C C 15 175.193 174.698 0.495 1
1 61 . 7 1 1 A 6 6 GLN CA C 15 56.539 54.614 1.925 1
1 62 . 7 1 1 A 6 6 GLN CB C 15 30.474 27.942 2.532 1
1 64 . 7 1 1 A 6 6 GLN N N 15 124.240 125.708 -1.468 1
1 65 . 7 1 1 A 7 7 ASN H H 16 8.291 7.522 0.769 1
1 66 . 7 1 1 A 7 7 ASN HA H 16 5.049 4.692 0.357 1
1 69 . 7 1 1 A 7 7 ASN C C 16 175.141 175.559 -0.418 1
1 70 . 7 1 1 A 7 7 ASN CA C 16 52.224 53.616 -1.392 1
1 71 . 7 1 1 A 7 7 ASN CB C 16 40.600 38.898 1.702 1
1 72 . 7 1 1 A 7 7 ASN N N 16 116.809 121.548 -4.739 1
1 73 . 7 1 1 A 8 8 CYS H H 17 8.737 8.810 -0.073 1
1 74 . 7 1 1 A 8 8 CYS HA H 17 4.584 4.500 0.084 1
1 77 . 7 1 1 A 8 8 CYS CA C 17 56.164 57.174 -1.010 1
1 78 . 7 1 1 A 8 8 CYS CB C 17 31.976 28.826 3.150 1
1 79 . 7 1 1 A 8 8 CYS N N 17 127.386 122.423 4.963 1
1 80 . 7 1 1 A 9 9 PRO HA H 18 4.457 4.504 -0.047 1
1 87 . 7 1 1 A 9 9 PRO C C 18 175.922 177.827 -1.905 1
1 88 . 7 1 1 A 9 9 PRO CA C 18 63.663 63.987 -0.324 1
1 89 . 7 1 1 A 9 9 PRO CB C 18 32.913 31.953 0.960 1
1 92 . 7 1 1 A 10 10 ILE H H 19 8.471 7.842 0.629 1
1 93 . 7 1 1 A 10 10 ILE HA H 19 4.171 4.018 0.153 1
1 103 . 7 1 1 A 10 10 ILE C C 19 175.891 177.229 -1.338 1
1 104 . 7 1 1 A 10 10 ILE CA C 19 62.350 63.548 -1.198 1
1 105 . 7 1 1 A 10 10 ILE CB C 19 37.226 38.112 -0.886 1
1 109 . 7 1 1 A 10 10 ILE N N 19 121.858 116.566 5.292 1
1 110 . 7 1 1 A 11 11 CYS H H 20 7.443 7.800 -0.357 1
1 111 . 7 1 1 A 11 11 CYS HA H 20 4.841 4.636 0.205 1
1 114 . 7 1 1 A 11 11 CYS C C 20 175.683 174.493 1.190 1
1 115 . 7 1 1 A 11 11 CYS CA C 20 57.851 58.346 -0.495 1
1 116 . 7 1 1 A 11 11 CYS CB C 20 31.601 28.874 2.727 1
1 117 . 7 1 1 A 11 11 CYS N N 20 115.827 116.636 -0.809 1
1 118 . 7 1 1 A 12 12 LEU H H 21 7.940 7.766 0.174 1
1 119 . 7 1 1 A 12 12 LEU HA H 21 4.241 4.148 0.093 1
1 129 . 7 1 1 A 12 12 LEU C C 21 176.286 175.371 0.915 1
1 130 . 7 1 1 A 12 12 LEU CA C 21 56.726 55.583 1.143 1
1 131 . 7 1 1 A 12 12 LEU CB C 21 38.163 40.676 -2.513 1
1 135 . 7 1 1 A 12 12 LEU N N 21 118.743 117.590 1.153 1
1 136 . 7 1 1 A 13 13 GLU H H 22 8.545 7.617 0.928 1
1 137 . 7 1 1 A 13 13 GLU HA H 22 4.700 4.862 -0.162 1
1 142 . 7 1 1 A 13 13 GLU C C 22 176.910 174.379 2.531 1
1 143 . 7 1 1 A 13 13 GLU CA C 22 55.224 54.703 0.521 1
1 144 . 7 1 1 A 13 13 GLU CB C 22 31.414 34.086 -2.672 1
1 146 . 7 1 1 A 13 13 GLU N N 22 119.659 119.973 -0.314 1
1 147 . 7 1 1 A 14 14 ASP H H 23 8.705 8.700 0.005 1
1 148 . 7 1 1 A 14 14 ASP HA H 23 4.732 5.015 -0.283 1
1 151 . 7 1 1 A 14 14 ASP C C 23 177.077 175.676 1.401 1
1 152 . 7 1 1 A 14 14 ASP CA C 23 55.414 54.202 1.212 1
1 153 . 7 1 1 A 14 14 ASP CB C 23 42.288 42.240 0.048 1
1 154 . 7 1 1 A 14 14 ASP N N 23 121.813 122.006 -0.193 1
1 155 . 7 1 1 A 15 15 ILE H H 24 8.603 8.746 -0.143 1
1 156 . 7 1 1 A 15 15 ILE HA H 24 4.173 4.685 -0.512 1
1 166 . 7 1 1 A 15 15 ILE C C 24 174.920 174.517 0.403 1
1 167 . 7 1 1 A 15 15 ILE CA C 24 59.726 60.563 -0.837 1
1 168 . 7 1 1 A 15 15 ILE CB C 24 40.413 40.956 -0.543 1
1 172 . 7 1 1 A 15 15 ILE N N 24 123.686 125.971 -2.285 1
1 173 . 7 1 1 A 16 16 HIS H H 25 8.581 8.994 -0.413 1
1 174 . 7 1 1 A 16 16 HIS HA H 25 4.685 4.807 -0.122 1
1 178 . 7 1 1 A 16 16 HIS C C 25 176.609 176.635 -0.026 1
1 179 . 7 1 1 A 16 16 HIS CA C 25 56.913 56.620 0.293 1
1 180 . 7 1 1 A 16 16 HIS CB C 25 30.474 31.128 -0.654 1
1 182 . 7 1 1 A 16 16 HIS N N 25 123.042 127.902 -4.860 1
1 183 . 7 1 1 A 17 17 THR H H 26 8.241 8.436 -0.195 1
1 184 . 7 1 1 A 17 17 THR HA H 26 4.303 3.986 0.317 1
1 189 . 7 1 1 A 17 17 THR C C 26 175.037 175.347 -0.310 1
1 190 . 7 1 1 A 17 17 THR CA C 26 62.913 64.420 -1.507 1
1 191 . 7 1 1 A 17 17 THR CB C 26 68.912 68.448 0.464 1
1 193 . 7 1 1 A 17 17 THR N N 26 114.128 118.397 -4.269 1
1 194 . 7 1 1 A 18 18 SER H H 27 8.160 8.182 -0.022 1
1 195 . 7 1 1 A 18 18 SER HA H 27 4.514 4.473 0.041 1
1 198 . 7 1 1 A 18 18 SER C C 27 175.058 175.154 -0.096 1
1 199 . 7 1 1 A 18 18 SER CA C 27 58.413 59.517 -1.104 1
1 200 . 7 1 1 A 18 18 SER CB C 27 63.100 62.683 0.417 1
1 201 . 7 1 1 A 18 18 SER N N 27 116.330 119.890 -3.560 1
1 202 . 7 1 1 A 19 19 ARG H H 28 8.200 8.315 -0.115 1
1 203 . 7 1 1 A 19 19 ARG HA H 28 4.233 4.403 -0.170 1
1 210 . 7 1 1 A 19 19 ARG C C 28 176.463 177.276 -0.813 1
1 211 . 7 1 1 A 19 19 ARG CA C 28 57.293 57.474 -0.181 1
1 212 . 7 1 1 A 19 19 ARG CB C 28 30.474 29.461 1.013 1
1 215 . 7 1 1 A 19 19 ARG N N 28 121.067 124.040 -2.973 1
1 216 . 7 1 1 A 20 20 VAL H H 29 7.789 7.902 -0.113 1
1 217 . 7 1 1 A 20 20 VAL HA H 29 4.294 3.639 0.655 1
1 225 . 7 1 1 A 20 20 VAL C C 29 175.599 178.624 -3.025 1
1 226 . 7 1 1 A 20 20 VAL CA C 29 61.601 66.137 -4.536 1
1 227 . 7 1 1 A 20 20 VAL CB C 29 33.476 31.694 1.782 1
1 229 . 7 1 1 A 20 20 VAL N N 29 117.329 119.811 -2.482 1
1 230 . 7 1 1 A 21 21 VAL H H 30 8.068 7.350 0.718 1
1 231 . 7 1 1 A 21 21 VAL HA H 30 4.253 3.979 0.274 1
1 239 . 7 1 1 A 21 21 VAL C C 30 175.589 176.533 -0.944 1
1 240 . 7 1 1 A 21 21 VAL CA C 30 62.163 64.632 -2.469 1
1 241 . 7 1 1 A 21 21 VAL CB C 30 32.164 32.250 -0.086 1
1 244 . 7 1 1 A 21 21 VAL N N 30 121.049 120.106 0.943 1
1 245 . 7 1 1 A 22 22 ALA H H 31 8.303 7.416 0.887 1
1 246 . 7 1 1 A 22 22 ALA HA H 31 4.609 4.408 0.201 1
1 250 . 7 1 1 A 22 22 ALA C C 31 176.307 177.055 -0.748 1
1 251 . 7 1 1 A 22 22 ALA CA C 31 51.662 51.417 0.245 1
1 252 . 7 1 1 A 22 22 ALA CB C 31 20.725 19.246 1.479 1
1 253 . 7 1 1 A 22 22 ALA N N 31 127.856 124.623 3.233 1
1 254 . 7 1 1 A 23 23 HIS H H 32 9.100 8.847 0.253 1
1 255 . 7 1 1 A 23 23 HIS HA H 32 4.488 4.437 0.051 1
1 259 . 7 1 1 A 23 23 HIS C C 32 173.154 174.191 -1.037 1
1 260 . 7 1 1 A 23 23 HIS CA C 32 56.164 57.778 -1.614 1
1 261 . 7 1 1 A 23 23 HIS CB C 32 33.476 30.378 3.098 1
1 263 . 7 1 1 A 23 23 HIS N N 32 121.613 125.282 -3.669 1
1 264 . 7 1 1 A 24 24 VAL H H 33 7.498 8.103 -0.605 1
1 265 . 7 1 1 A 24 24 VAL HA H 33 4.130 4.573 -0.443 1
1 273 . 7 1 1 A 24 24 VAL C C 33 175.859 175.603 0.256 1
1 274 . 7 1 1 A 24 24 VAL CA C 33 61.038 61.421 -0.383 1
1 275 . 7 1 1 A 24 24 VAL CB C 33 31.976 32.525 -0.549 1
1 278 . 7 1 1 A 24 24 VAL N N 33 126.760 126.781 -0.021 1
1 279 . 7 1 1 A 25 25 LEU H H 34 8.426 8.975 -0.549 1
1 280 . 7 1 1 A 25 25 LEU HA H 34 4.461 4.589 -0.128 1
1 290 . 7 1 1 A 25 25 LEU CA C 34 54.661 53.465 1.196 1
1 291 . 7 1 1 A 25 25 LEU CB C 34 43.787 41.489 2.298 1
1 295 . 7 1 1 A 25 25 LEU N N 34 127.479 129.501 -2.022 1
1 296 . 7 1 1 A 26 26 PRO HA H 35 4.302 4.448 -0.146 1
1 303 . 7 1 1 A 26 26 PRO C C 35 176.494 177.478 -0.984 1
1 304 . 7 1 1 A 26 26 PRO CA C 35 65.350 64.333 1.017 1
1 305 . 7 1 1 A 26 26 PRO CB C 35 31.789 31.818 -0.029 1
1 308 . 7 1 1 A 27 27 CYS H H 36 7.266 7.687 -0.421 1
1 309 . 7 1 1 A 27 27 CYS HA H 36 4.407 4.451 -0.044 1
1 312 . 7 1 1 A 27 27 CYS C C 36 176.016 174.683 1.333 1
1 313 . 7 1 1 A 27 27 CYS CA C 36 56.726 58.716 -1.990 1
1 314 . 7 1 1 A 27 27 CYS CB C 36 31.601 27.776 3.825 1
1 315 . 7 1 1 A 27 27 CYS N N 36 111.241 116.093 -4.852 1
1 316 . 7 1 1 A 28 28 GLY H H 37 8.211 8.014 0.197 1
1 317 . 7 1 1 A 28 28 GLY HA2 H 37 4.122 3.720 0.402 1
1 318 . 7 1 1 A 28 28 GLY HA3 H 37 3.329 3.789 -0.460 1
1 319 . 7 1 1 A 28 28 GLY C C 37 173.903 174.323 -0.420 1
1 320 . 7 1 1 A 28 28 GLY CA C 37 44.725 45.683 -0.958 1
1 321 . 7 1 1 A 28 28 GLY N N 37 111.309 109.717 1.592 1
1 322 . 7 1 1 A 29 29 HIS H H 38 8.109 7.615 0.494 1
1 323 . 7 1 1 A 29 29 HIS HA H 38 4.622 4.746 -0.124 1
1 327 . 7 1 1 A 29 29 HIS C C 38 173.029 174.379 -1.350 1
1 328 . 7 1 1 A 29 29 HIS CA C 38 59.351 55.795 3.556 1
1 329 . 7 1 1 A 29 29 HIS CB C 38 31.224 32.335 -1.111 1
1 331 . 7 1 1 A 29 29 HIS N N 38 121.624 117.956 3.668 1
1 332 . 7 1 1 A 30 30 LEU H H 39 8.923 8.696 0.227 1
1 333 . 7 1 1 A 30 30 LEU HA H 39 5.112 5.245 -0.133 1
1 343 . 7 1 1 A 30 30 LEU C C 39 176.380 175.490 0.890 1
1 344 . 7 1 1 A 30 30 LEU CA C 39 54.474 53.590 0.884 1
1 345 . 7 1 1 A 30 30 LEU CB C 39 45.662 44.931 0.731 1
1 349 . 7 1 1 A 30 30 LEU N N 39 120.785 121.096 -0.311 1
1 350 . 7 1 1 A 31 31 LEU H H 40 8.586 8.598 -0.012 1
1 351 . 7 1 1 A 31 31 LEU HA H 40 5.144 4.780 0.364 1
1 361 . 7 1 1 A 31 31 LEU C C 40 177.701 175.589 2.112 1
1 362 . 7 1 1 A 31 31 LEU CA C 40 53.161 53.854 -0.693 1
1 363 . 7 1 1 A 31 31 LEU CB C 40 47.350 45.200 2.150 1
1 366 . 7 1 1 A 31 31 LEU N N 40 117.837 119.799 -1.962 1
1 367 . 7 1 1 A 32 32 HIS H H 41 7.726 7.998 -0.272 1
1 368 . 7 1 1 A 32 32 HIS HA H 41 4.693 4.644 0.049 1
1 372 . 7 1 1 A 32 32 HIS C C 41 176.994 176.390 0.604 1
1 373 . 7 1 1 A 32 32 HIS CA C 41 59.913 55.763 4.150 1
1 374 . 7 1 1 A 32 32 HIS CB C 41 31.036 31.212 -0.176 1
1 376 . 7 1 1 A 32 32 HIS N N 41 118.242 117.174 1.068 1
1 377 . 7 1 1 A 33 33 ARG H H 42 9.564 9.110 0.454 1
1 378 . 7 1 1 A 33 33 ARG HA H 42 4.055 3.924 0.131 1
1 385 . 7 1 1 A 33 33 ARG C C 42 178.388 178.187 0.201 1
1 386 . 7 1 1 A 33 33 ARG CA C 42 60.476 60.332 0.144 1
1 387 . 7 1 1 A 33 33 ARG CB C 42 29.536 30.195 -0.659 1
1 390 . 7 1 1 A 33 33 ARG N N 42 124.900 120.398 4.502 1
1 391 . 7 1 1 A 34 34 THR H H 43 8.386 8.453 -0.067 1
1 392 . 7 1 1 A 34 34 THR HA H 43 4.101 3.972 0.129 1
1 397 . 7 1 1 A 34 34 THR C C 43 177.285 177.162 0.123 1
1 398 . 7 1 1 A 34 34 THR CA C 43 64.788 66.489 -1.701 1
1 399 . 7 1 1 A 34 34 THR CB C 43 67.787 68.674 -0.887 1
1 401 . 7 1 1 A 34 34 THR N N 43 109.798 113.632 -3.834 1
1 402 . 7 1 1 A 35 35 CYS H H 44 6.825 8.326 -1.501 1
1 403 . 7 1 1 A 35 35 CYS HA H 44 4.066 4.703 -0.637 1
1 406 . 7 1 1 A 35 35 CYS C C 44 176.671 177.812 -1.141 1
1 407 . 7 1 1 A 35 35 CYS CA C 44 63.100 62.789 0.311 1
1 408 . 7 1 1 A 35 35 CYS CB C 44 28.787 26.905 1.882 1
1 409 . 7 1 1 A 35 35 CYS N N 44 123.057 119.401 3.656 1
1 410 . 7 1 1 A 36 36 TYR H H 45 8.484 7.990 0.494 1
1 411 . 7 1 1 A 36 36 TYR HA H 45 4.200 4.055 0.145 1
1 418 . 7 1 1 A 36 36 TYR C C 45 176.140 177.804 -1.664 1
1 419 . 7 1 1 A 36 36 TYR CA C 45 60.101 61.430 -1.329 1
1 420 . 7 1 1 A 36 36 TYR CB C 45 37.601 38.575 -0.974 1
1 423 . 7 1 1 A 36 36 TYR N N 45 119.972 123.449 -3.477 1
1 424 . 7 1 1 A 37 37 GLU H H 46 7.925 7.851 0.074 1
1 425 . 7 1 1 A 37 37 GLU HA H 46 3.546 3.561 -0.015 1
1 430 . 7 1 1 A 37 37 GLU C C 46 179.574 179.144 0.430 1
1 431 . 7 1 1 A 37 37 GLU CA C 46 59.351 59.455 -0.104 1
1 432 . 7 1 1 A 37 37 GLU CB C 46 28.787 29.080 -0.293 1
1 434 . 7 1 1 A 37 37 GLU N N 46 117.277 118.460 -1.183 1
1 435 . 7 1 1 A 38 38 GLU H H 47 7.598 8.067 -0.469 1
1 436 . 7 1 1 A 38 38 GLU HA H 47 4.041 4.008 0.033 1
1 441 . 7 1 1 A 38 38 GLU C C 47 177.743 178.928 -1.185 1
1 442 . 7 1 1 A 38 38 GLU CA C 47 58.788 59.152 -0.364 1
1 443 . 7 1 1 A 38 38 GLU CB C 47 29.349 29.174 0.175 1
1 445 . 7 1 1 A 38 38 GLU N N 47 119.258 120.160 -0.902 1
1 446 . 7 1 1 A 39 39 MET H H 48 7.918 8.140 -0.222 1
1 447 . 7 1 1 A 39 39 MET HA H 48 3.612 4.452 -0.840 1
1 452 . 7 1 1 A 39 39 MET C C 48 178.232 178.545 -0.313 1
1 453 . 7 1 1 A 39 39 MET CA C 48 58.226 58.515 -0.289 1
1 454 . 7 1 1 A 39 39 MET CB C 48 32.351 32.179 0.172 1
1 456 . 7 1 1 A 39 39 MET N N 48 120.952 119.490 1.462 1
1 457 . 7 1 1 A 40 40 LEU H H 49 8.042 7.891 0.151 1
1 458 . 7 1 1 A 40 40 LEU HA H 49 3.867 3.965 -0.098 1
1 468 . 7 1 1 A 40 40 LEU C C 49 179.543 178.810 0.733 1
1 469 . 7 1 1 A 40 40 LEU CA C 49 56.726 57.700 -0.974 1
1 470 . 7 1 1 A 40 40 LEU CB C 49 41.913 41.326 0.587 1
1 474 . 7 1 1 A 40 40 LEU N N 49 119.191 121.377 -2.186 1
1 475 . 7 1 1 A 41 41 LYS H H 50 7.604 8.163 -0.559 1
1 476 . 7 1 1 A 41 41 LYS HA H 50 3.957 3.930 0.027 1
1 485 . 7 1 1 A 41 41 LYS C C 50 178.305 179.847 -1.542 1
1 486 . 7 1 1 A 41 41 LYS CA C 50 58.788 60.226 -1.438 1
1 487 . 7 1 1 A 41 41 LYS CB C 50 32.726 32.283 0.443 1
1 491 . 7 1 1 A 41 41 LYS N N 50 119.815 119.801 0.014 1
1 492 . 7 1 1 A 42 42 GLU H H 51 7.972 7.994 -0.022 1
1 493 . 7 1 1 A 42 42 GLU HA H 51 4.238 4.164 0.074 1
1 498 . 7 1 1 A 42 42 GLU C C 51 177.837 177.544 0.293 1
1 499 . 7 1 1 A 42 42 GLU CA C 51 56.913 57.316 -0.403 1
1 500 . 7 1 1 A 42 42 GLU CB C 51 30.660 29.854 0.806 1
1 502 . 7 1 1 A 42 42 GLU N N 51 116.691 117.828 -1.137 1
1 503 . 7 1 1 A 43 43 GLY H H 52 8.022 8.199 -0.177 1
1 504 . 7 1 1 A 43 43 GLY HA2 H 52 4.051 3.910 0.141 1
1 505 . 7 1 1 A 43 43 GLY HA3 H 52 3.778 3.942 -0.164 1
1 506 . 7 1 1 A 43 43 GLY C C 52 174.278 174.144 0.134 1
1 507 . 7 1 1 A 43 43 GLY CA C 52 46.037 46.504 -0.467 1
1 508 . 7 1 1 A 43 43 GLY N N 52 108.181 108.468 -0.287 1
1 509 . 7 1 1 A 44 44 TYR H H 53 7.184 7.927 -0.743 1
1 510 . 7 1 1 A 44 44 TYR HA H 53 4.787 4.590 0.197 1
1 517 . 7 1 1 A 44 44 TYR C C 53 174.725 175.354 -0.629 1
1 518 . 7 1 1 A 44 44 TYR CA C 53 55.976 57.439 -1.463 1
1 519 . 7 1 1 A 44 44 TYR CB C 53 38.913 39.683 -0.770 1
1 522 . 7 1 1 A 44 44 TYR N N 53 117.550 118.953 -1.403 1
1 523 . 7 1 1 A 45 45 ARG H H 54 7.969 8.461 -0.492 1
1 524 . 7 1 1 A 45 45 ARG HA H 54 4.412 4.203 0.209 1
1 531 . 7 1 1 A 45 45 ARG C C 54 174.902 175.932 -1.030 1
1 532 . 7 1 1 A 45 45 ARG CA C 54 54.849 56.934 -2.085 1
1 533 . 7 1 1 A 45 45 ARG CB C 54 32.164 30.175 1.989 1
1 536 . 7 1 1 A 45 45 ARG N N 54 120.614 119.912 0.702 1
1 537 . 7 1 1 A 46 46 CYS H H 55 8.579 8.570 0.009 1
1 538 . 7 1 1 A 46 46 CYS HA H 55 4.236 4.245 -0.009 1
1 541 . 7 1 1 A 46 46 CYS CA C 55 57.477 57.716 -0.239 1
1 542 . 7 1 1 A 46 46 CYS CB C 55 30.849 27.469 3.380 1
1 543 . 7 1 1 A 46 46 CYS N N 55 123.189 123.720 -0.531 1
1 544 . 7 1 1 A 47 47 PRO HA H 56 4.459 4.376 0.083 1
1 551 . 7 1 1 A 47 47 PRO C C 56 178.242 177.955 0.287 1
1 552 . 7 1 1 A 47 47 PRO CA C 56 64.225 64.290 -0.065 1
1 553 . 7 1 1 A 47 47 PRO CB C 56 32.913 31.938 0.975 1
1 556 . 7 1 1 A 48 48 LEU H H 57 8.285 7.420 0.865 1
1 557 . 7 1 1 A 48 48 LEU HA H 57 4.191 4.039 0.152 1
1 567 . 7 1 1 A 48 48 LEU C C 57 178.783 179.056 -0.273 1
1 568 . 7 1 1 A 48 48 LEU CA C 57 55.789 56.918 -1.129 1
1 569 . 7 1 1 A 48 48 LEU CB C 57 41.163 40.684 0.479 1
1 573 . 7 1 1 A 48 48 LEU N N 57 119.589 117.094 2.495 1
1 574 . 7 1 1 A 49 49 CYS H H 58 7.949 7.843 0.106 1
1 575 . 7 1 1 A 49 49 CYS HA H 58 4.281 4.453 -0.172 1
1 578 . 7 1 1 A 49 49 CYS C C 58 176.088 175.997 0.091 1
1 579 . 7 1 1 A 49 49 CYS CA C 58 63.475 61.684 1.791 1
1 580 . 7 1 1 A 49 49 CYS CB C 58 30.099 26.457 3.642 1
1 581 . 7 1 1 A 49 49 CYS N N 58 123.132 118.161 4.971 1
1 582 . 7 1 1 A 50 50 MET H H 59 7.717 7.869 -0.152 1
1 583 . 7 1 1 A 50 50 MET HA H 59 4.332 4.399 -0.067 1
1 588 . 7 1 1 A 50 50 MET C C 59 175.870 176.098 -0.228 1
1 589 . 7 1 1 A 50 50 MET CA C 59 55.601 56.889 -1.288 1
1 590 . 7 1 1 A 50 50 MET CB C 59 32.164 33.338 -1.174 1
1 592 . 7 1 1 A 50 50 MET N N 59 118.057 118.845 -0.788 1
1 593 . 7 1 1 A 51 51 HIS H H 60 7.965 7.823 0.142 1
1 594 . 7 1 1 A 51 51 HIS HA H 60 4.709 4.890 -0.181 1
1 598 . 7 1 1 A 51 51 HIS C C 60 174.267 174.090 0.177 1
1 599 . 7 1 1 A 51 51 HIS CA C 60 55.601 53.575 2.026 1
1 600 . 7 1 1 A 51 51 HIS CB C 60 30.661 31.230 -0.569 1
1 602 . 7 1 1 A 51 51 HIS N N 60 119.437 119.795 -0.358 1
1 12 . 8 1 1 A 2 2 ASN H H 11 8.476 8.736 -0.260 1
1 13 . 8 1 1 A 2 2 ASN HA H 11 4.704 5.070 -0.366 1
1 16 . 8 1 1 A 2 2 ASN C C 11 175.058 173.450 1.608 1
1 17 . 8 1 1 A 2 2 ASN CA C 11 53.375 52.807 0.568 1
1 18 . 8 1 1 A 2 2 ASN CB C 11 38.913 43.030 -4.117 1
1 19 . 8 1 1 A 2 2 ASN N N 11 119.245 119.763 -0.518 1
1 20 . 8 1 1 A 3 3 VAL H H 12 8.023 8.871 -0.848 1
1 21 . 8 1 1 A 3 3 VAL HA H 12 4.171 4.008 0.163 1
1 29 . 8 1 1 A 3 3 VAL C C 12 176.120 177.152 -1.032 1
1 30 . 8 1 1 A 3 3 VAL CA C 12 61.975 63.234 -1.259 1
1 31 . 8 1 1 A 3 3 VAL CB C 12 32.913 30.994 1.919 1
1 34 . 8 1 1 A 3 3 VAL N N 12 119.852 126.893 -7.041 1
1 35 . 8 1 1 A 4 4 SER H H 13 8.384 8.911 -0.527 1
1 36 . 8 1 1 A 4 4 SER HA H 13 4.452 4.395 0.057 1
1 39 . 8 1 1 A 4 4 SER C C 13 174.153 174.331 -0.178 1
1 40 . 8 1 1 A 4 4 SER CA C 13 58.226 60.266 -2.040 1
1 41 . 8 1 1 A 4 4 SER CB C 13 63.663 63.326 0.337 1
1 42 . 8 1 1 A 4 4 SER N N 13 119.429 120.812 -1.383 1
1 43 . 8 1 1 A 5 5 GLN H H 14 8.299 7.800 0.499 1
1 44 . 8 1 1 A 5 5 GLN HA H 14 4.332 4.065 0.267 1
1 49 . 8 1 1 A 5 5 GLN C C 14 175.152 175.368 -0.216 1
1 50 . 8 1 1 A 5 5 GLN CA C 14 56.164 55.576 0.588 1
1 51 . 8 1 1 A 5 5 GLN CB C 14 29.724 28.946 0.778 1
1 53 . 8 1 1 A 5 5 GLN N N 14 123.721 121.857 1.864 1
1 54 . 8 1 1 A 6 6 GLN H H 15 8.692 8.273 0.419 1
1 55 . 8 1 1 A 6 6 GLN HA H 15 4.343 4.518 -0.175 1
1 60 . 8 1 1 A 6 6 GLN C C 15 175.193 175.818 -0.625 1
1 61 . 8 1 1 A 6 6 GLN CA C 15 56.539 56.106 0.433 1
1 62 . 8 1 1 A 6 6 GLN CB C 15 30.474 29.579 0.895 1
1 64 . 8 1 1 A 6 6 GLN N N 15 124.240 128.579 -4.339 1
1 65 . 8 1 1 A 7 7 ASN H H 16 8.291 9.014 -0.723 1
1 66 . 8 1 1 A 7 7 ASN HA H 16 5.049 5.573 -0.524 1
1 69 . 8 1 1 A 7 7 ASN C C 16 175.141 173.921 1.220 1
1 70 . 8 1 1 A 7 7 ASN CA C 16 52.224 51.819 0.405 1
1 71 . 8 1 1 A 7 7 ASN CB C 16 40.600 40.804 -0.204 1
1 72 . 8 1 1 A 7 7 ASN N N 16 116.809 120.964 -4.155 1
1 73 . 8 1 1 A 8 8 CYS H H 17 8.737 9.169 -0.432 1
1 74 . 8 1 1 A 8 8 CYS HA H 17 4.584 4.682 -0.098 1
1 77 . 8 1 1 A 8 8 CYS CA C 17 56.164 56.618 -0.454 1
1 78 . 8 1 1 A 8 8 CYS CB C 17 31.976 28.985 2.991 1
1 79 . 8 1 1 A 8 8 CYS N N 17 127.386 122.388 4.998 1
1 80 . 8 1 1 A 9 9 PRO HA H 18 4.457 4.333 0.124 1
1 87 . 8 1 1 A 9 9 PRO C C 18 175.922 177.757 -1.835 1
1 88 . 8 1 1 A 9 9 PRO CA C 18 63.663 64.251 -0.588 1
1 89 . 8 1 1 A 9 9 PRO CB C 18 32.913 31.900 1.013 1
1 92 . 8 1 1 A 10 10 ILE H H 19 8.471 8.291 0.180 1
1 93 . 8 1 1 A 10 10 ILE HA H 19 4.171 4.029 0.142 1
1 103 . 8 1 1 A 10 10 ILE C C 19 175.891 176.907 -1.016 1
1 104 . 8 1 1 A 10 10 ILE CA C 19 62.350 62.694 -0.344 1
1 105 . 8 1 1 A 10 10 ILE CB C 19 37.226 37.941 -0.715 1
1 109 . 8 1 1 A 10 10 ILE N N 19 121.858 116.447 5.411 1
1 110 . 8 1 1 A 11 11 CYS H H 20 7.443 7.550 -0.107 1
1 111 . 8 1 1 A 11 11 CYS HA H 20 4.841 4.624 0.217 1
1 114 . 8 1 1 A 11 11 CYS C C 20 175.683 175.224 0.459 1
1 115 . 8 1 1 A 11 11 CYS CA C 20 57.851 58.437 -0.586 1
1 116 . 8 1 1 A 11 11 CYS CB C 20 31.601 29.097 2.504 1
1 117 . 8 1 1 A 11 11 CYS N N 20 115.827 117.260 -1.433 1
1 118 . 8 1 1 A 12 12 LEU H H 21 7.940 8.067 -0.127 1
1 119 . 8 1 1 A 12 12 LEU HA H 21 4.241 3.909 0.332 1
1 129 . 8 1 1 A 12 12 LEU C C 21 176.286 175.546 0.740 1
1 130 . 8 1 1 A 12 12 LEU CA C 21 56.726 56.362 0.364 1
1 131 . 8 1 1 A 12 12 LEU CB C 21 38.163 40.099 -1.936 1
1 135 . 8 1 1 A 12 12 LEU N N 21 118.743 117.080 1.663 1
1 136 . 8 1 1 A 13 13 GLU H H 22 8.545 7.936 0.609 1
1 137 . 8 1 1 A 13 13 GLU HA H 22 4.700 4.711 -0.011 1
1 142 . 8 1 1 A 13 13 GLU C C 22 176.910 175.441 1.469 1
1 143 . 8 1 1 A 13 13 GLU CA C 22 55.224 54.541 0.683 1
1 144 . 8 1 1 A 13 13 GLU CB C 22 31.414 31.127 0.287 1
1 146 . 8 1 1 A 13 13 GLU N N 22 119.659 118.560 1.099 1
1 147 . 8 1 1 A 14 14 ASP H H 23 8.705 8.622 0.083 1
1 148 . 8 1 1 A 14 14 ASP HA H 23 4.732 4.667 0.065 1
1 151 . 8 1 1 A 14 14 ASP C C 23 177.077 175.532 1.545 1
1 152 . 8 1 1 A 14 14 ASP CA C 23 55.414 54.487 0.927 1
1 153 . 8 1 1 A 14 14 ASP CB C 23 42.288 41.831 0.457 1
1 154 . 8 1 1 A 14 14 ASP N N 23 121.813 121.627 0.186 1
1 155 . 8 1 1 A 15 15 ILE H H 24 8.603 8.314 0.289 1
1 156 . 8 1 1 A 15 15 ILE HA H 24 4.173 4.945 -0.772 1
1 166 . 8 1 1 A 15 15 ILE C C 24 174.920 174.569 0.351 1
1 167 . 8 1 1 A 15 15 ILE CA C 24 59.726 60.382 -0.656 1
1 168 . 8 1 1 A 15 15 ILE CB C 24 40.413 41.555 -1.142 1
1 172 . 8 1 1 A 15 15 ILE N N 24 123.686 124.841 -1.155 1
1 173 . 8 1 1 A 16 16 HIS H H 25 8.581 9.199 -0.618 1
1 174 . 8 1 1 A 16 16 HIS HA H 25 4.685 5.011 -0.326 1
1 178 . 8 1 1 A 16 16 HIS C C 25 176.609 176.248 0.361 1
1 179 . 8 1 1 A 16 16 HIS CA C 25 56.913 54.724 2.189 1
1 180 . 8 1 1 A 16 16 HIS CB C 25 30.474 33.181 -2.707 1
1 182 . 8 1 1 A 16 16 HIS N N 25 123.042 124.883 -1.841 1
1 183 . 8 1 1 A 17 17 THR H H 26 8.241 8.818 -0.577 1
1 184 . 8 1 1 A 17 17 THR HA H 26 4.303 4.190 0.113 1
1 189 . 8 1 1 A 17 17 THR C C 26 175.037 174.474 0.563 1
1 190 . 8 1 1 A 17 17 THR CA C 26 62.913 63.757 -0.844 1
1 191 . 8 1 1 A 17 17 THR CB C 26 68.912 69.089 -0.177 1
1 193 . 8 1 1 A 17 17 THR N N 26 114.128 116.389 -2.261 1
1 194 . 8 1 1 A 18 18 SER H H 27 8.160 7.689 0.471 1
1 195 . 8 1 1 A 18 18 SER HA H 27 4.514 4.325 0.189 1
1 198 . 8 1 1 A 18 18 SER C C 27 175.058 174.972 0.086 1
1 199 . 8 1 1 A 18 18 SER CA C 27 58.413 58.569 -0.156 1
1 200 . 8 1 1 A 18 18 SER CB C 27 63.100 63.864 -0.764 1
1 201 . 8 1 1 A 18 18 SER N N 27 116.330 114.373 1.957 1
1 202 . 8 1 1 A 19 19 ARG H H 28 8.200 8.484 -0.284 1
1 203 . 8 1 1 A 19 19 ARG HA H 28 4.233 4.942 -0.709 1
1 210 . 8 1 1 A 19 19 ARG C C 28 176.463 177.483 -1.020 1
1 211 . 8 1 1 A 19 19 ARG CA C 28 57.293 56.512 0.781 1
1 212 . 8 1 1 A 19 19 ARG CB C 28 30.474 30.430 0.044 1
1 215 . 8 1 1 A 19 19 ARG N N 28 121.067 120.845 0.222 1
1 216 . 8 1 1 A 20 20 VAL H H 29 7.789 7.708 0.081 1
1 217 . 8 1 1 A 20 20 VAL HA H 29 4.294 3.645 0.649 1
1 225 . 8 1 1 A 20 20 VAL C C 29 175.599 177.384 -1.785 1
1 226 . 8 1 1 A 20 20 VAL CA C 29 61.601 66.479 -4.878 1
1 227 . 8 1 1 A 20 20 VAL CB C 29 33.476 31.819 1.657 1
1 229 . 8 1 1 A 20 20 VAL N N 29 117.329 120.372 -3.043 1
1 230 . 8 1 1 A 21 21 VAL H H 30 8.068 7.529 0.539 1
1 231 . 8 1 1 A 21 21 VAL HA H 30 4.253 4.157 0.096 1
1 239 . 8 1 1 A 21 21 VAL C C 30 175.589 176.575 -0.986 1
1 240 . 8 1 1 A 21 21 VAL CA C 30 62.163 63.937 -1.774 1
1 241 . 8 1 1 A 21 21 VAL CB C 30 32.164 33.098 -0.934 1
1 244 . 8 1 1 A 21 21 VAL N N 30 121.049 117.339 3.710 1
1 245 . 8 1 1 A 22 22 ALA H H 31 8.303 7.479 0.824 1
1 246 . 8 1 1 A 22 22 ALA HA H 31 4.609 4.504 0.105 1
1 250 . 8 1 1 A 22 22 ALA C C 31 176.307 176.626 -0.319 1
1 251 . 8 1 1 A 22 22 ALA CA C 31 51.662 51.162 0.500 1
1 252 . 8 1 1 A 22 22 ALA CB C 31 20.725 19.099 1.626 1
1 253 . 8 1 1 A 22 22 ALA N N 31 127.856 123.849 4.007 1
1 254 . 8 1 1 A 23 23 HIS H H 32 9.100 9.020 0.080 1
1 255 . 8 1 1 A 23 23 HIS HA H 32 4.488 4.510 -0.022 1
1 259 . 8 1 1 A 23 23 HIS C C 32 173.154 174.124 -0.970 1
1 260 . 8 1 1 A 23 23 HIS CA C 32 56.164 57.737 -1.573 1
1 261 . 8 1 1 A 23 23 HIS CB C 32 33.476 30.489 2.987 1
1 263 . 8 1 1 A 23 23 HIS N N 32 121.613 125.811 -4.198 1
1 264 . 8 1 1 A 24 24 VAL H H 33 7.498 8.344 -0.846 1
1 265 . 8 1 1 A 24 24 VAL HA H 33 4.130 4.728 -0.598 1
1 273 . 8 1 1 A 24 24 VAL C C 33 175.859 175.588 0.271 1
1 274 . 8 1 1 A 24 24 VAL CA C 33 61.038 61.200 -0.162 1
1 275 . 8 1 1 A 24 24 VAL CB C 33 31.976 32.803 -0.827 1
1 278 . 8 1 1 A 24 24 VAL N N 33 126.760 126.729 0.031 1
1 279 . 8 1 1 A 25 25 LEU H H 34 8.426 8.833 -0.407 1
1 280 . 8 1 1 A 25 25 LEU HA H 34 4.461 4.519 -0.058 1
1 290 . 8 1 1 A 25 25 LEU CA C 34 54.661 53.700 0.961 1
1 291 . 8 1 1 A 25 25 LEU CB C 34 43.787 41.175 2.612 1
1 295 . 8 1 1 A 25 25 LEU N N 34 127.479 130.298 -2.819 1
1 296 . 8 1 1 A 26 26 PRO HA H 35 4.302 4.512 -0.210 1
1 303 . 8 1 1 A 26 26 PRO C C 35 176.494 177.442 -0.948 1
1 304 . 8 1 1 A 26 26 PRO CA C 35 65.350 64.320 1.030 1
1 305 . 8 1 1 A 26 26 PRO CB C 35 31.789 31.748 0.041 1
1 308 . 8 1 1 A 27 27 CYS H H 36 7.266 7.694 -0.428 1
1 309 . 8 1 1 A 27 27 CYS HA H 36 4.407 4.482 -0.075 1
1 312 . 8 1 1 A 27 27 CYS C C 36 176.016 174.627 1.389 1
1 313 . 8 1 1 A 27 27 CYS CA C 36 56.726 58.648 -1.922 1
1 314 . 8 1 1 A 27 27 CYS CB C 36 31.601 27.694 3.907 1
1 315 . 8 1 1 A 27 27 CYS N N 36 111.241 116.555 -5.314 1
1 316 . 8 1 1 A 28 28 GLY H H 37 8.211 8.080 0.131 1
1 317 . 8 1 1 A 28 28 GLY HA2 H 37 4.122 3.766 0.356 1
1 318 . 8 1 1 A 28 28 GLY HA3 H 37 3.329 3.817 -0.488 1
1 319 . 8 1 1 A 28 28 GLY C C 37 173.903 174.409 -0.506 1
1 320 . 8 1 1 A 28 28 GLY CA C 37 44.725 45.684 -0.959 1
1 321 . 8 1 1 A 28 28 GLY N N 37 111.309 109.718 1.591 1
1 322 . 8 1 1 A 29 29 HIS H H 38 8.109 7.596 0.513 1
1 323 . 8 1 1 A 29 29 HIS HA H 38 4.622 4.722 -0.100 1
1 327 . 8 1 1 A 29 29 HIS C C 38 173.029 174.512 -1.483 1
1 328 . 8 1 1 A 29 29 HIS CA C 38 59.351 55.796 3.555 1
1 329 . 8 1 1 A 29 29 HIS CB C 38 31.224 32.226 -1.002 1
1 331 . 8 1 1 A 29 29 HIS N N 38 121.624 118.069 3.555 1
1 332 . 8 1 1 A 30 30 LEU H H 39 8.923 8.744 0.179 1
1 333 . 8 1 1 A 30 30 LEU HA H 39 5.112 5.263 -0.151 1
1 343 . 8 1 1 A 30 30 LEU C C 39 176.380 175.788 0.592 1
1 344 . 8 1 1 A 30 30 LEU CA C 39 54.474 53.477 0.997 1
1 345 . 8 1 1 A 30 30 LEU CB C 39 45.662 44.193 1.469 1
1 349 . 8 1 1 A 30 30 LEU N N 39 120.785 121.068 -0.283 1
1 350 . 8 1 1 A 31 31 LEU H H 40 8.586 8.756 -0.170 1
1 351 . 8 1 1 A 31 31 LEU HA H 40 5.144 4.807 0.337 1
1 361 . 8 1 1 A 31 31 LEU C C 40 177.701 175.723 1.978 1
1 362 . 8 1 1 A 31 31 LEU CA C 40 53.161 53.487 -0.326 1
1 363 . 8 1 1 A 31 31 LEU CB C 40 47.350 45.831 1.519 1
1 366 . 8 1 1 A 31 31 LEU N N 40 117.837 121.654 -3.817 1
1 367 . 8 1 1 A 32 32 HIS H H 41 7.726 7.997 -0.271 1
1 368 . 8 1 1 A 32 32 HIS HA H 41 4.693 5.063 -0.370 1
1 372 . 8 1 1 A 32 32 HIS C C 41 176.994 176.323 0.671 1
1 373 . 8 1 1 A 32 32 HIS CA C 41 59.913 55.471 4.442 1
1 374 . 8 1 1 A 32 32 HIS CB C 41 31.036 31.439 -0.403 1
1 376 . 8 1 1 A 32 32 HIS N N 41 118.242 117.167 1.075 1
1 377 . 8 1 1 A 33 33 ARG H H 42 9.564 8.853 0.711 1
1 378 . 8 1 1 A 33 33 ARG HA H 42 4.055 3.914 0.141 1
1 385 . 8 1 1 A 33 33 ARG C C 42 178.388 177.924 0.464 1
1 386 . 8 1 1 A 33 33 ARG CA C 42 60.476 60.082 0.394 1
1 387 . 8 1 1 A 33 33 ARG CB C 42 29.536 30.238 -0.702 1
1 390 . 8 1 1 A 33 33 ARG N N 42 124.900 120.367 4.533 1
1 391 . 8 1 1 A 34 34 THR H H 43 8.386 8.462 -0.076 1
1 392 . 8 1 1 A 34 34 THR HA H 43 4.101 4.082 0.019 1
1 397 . 8 1 1 A 34 34 THR C C 43 177.285 177.271 0.014 1
1 398 . 8 1 1 A 34 34 THR CA C 43 64.788 66.494 -1.706 1
1 399 . 8 1 1 A 34 34 THR CB C 43 67.787 68.308 -0.521 1
1 401 . 8 1 1 A 34 34 THR N N 43 109.798 114.351 -4.553 1
1 402 . 8 1 1 A 35 35 CYS H H 44 6.825 8.727 -1.902 1
1 403 . 8 1 1 A 35 35 CYS HA H 44 4.066 4.734 -0.668 1
1 406 . 8 1 1 A 35 35 CYS C C 44 176.671 177.570 -0.899 1
1 407 . 8 1 1 A 35 35 CYS CA C 44 63.100 62.559 0.541 1
1 408 . 8 1 1 A 35 35 CYS CB C 44 28.787 27.034 1.753 1
1 409 . 8 1 1 A 35 35 CYS N N 44 123.057 119.269 3.788 1
1 410 . 8 1 1 A 36 36 TYR H H 45 8.484 8.099 0.385 1
1 411 . 8 1 1 A 36 36 TYR HA H 45 4.200 4.048 0.152 1
1 418 . 8 1 1 A 36 36 TYR C C 45 176.140 177.982 -1.842 1
1 419 . 8 1 1 A 36 36 TYR CA C 45 60.101 61.667 -1.566 1
1 420 . 8 1 1 A 36 36 TYR CB C 45 37.601 38.719 -1.118 1
1 423 . 8 1 1 A 36 36 TYR N N 45 119.972 123.639 -3.667 1
1 424 . 8 1 1 A 37 37 GLU H H 46 7.925 7.661 0.264 1
1 425 . 8 1 1 A 37 37 GLU HA H 46 3.546 3.545 0.001 1
1 430 . 8 1 1 A 37 37 GLU C C 46 179.574 179.156 0.418 1
1 431 . 8 1 1 A 37 37 GLU CA C 46 59.351 59.680 -0.329 1
1 432 . 8 1 1 A 37 37 GLU CB C 46 28.787 29.417 -0.630 1
1 434 . 8 1 1 A 37 37 GLU N N 46 117.277 118.344 -1.067 1
1 435 . 8 1 1 A 38 38 GLU H H 47 7.598 8.187 -0.589 1
1 436 . 8 1 1 A 38 38 GLU HA H 47 4.041 3.963 0.078 1
1 441 . 8 1 1 A 38 38 GLU C C 47 177.743 178.810 -1.067 1
1 442 . 8 1 1 A 38 38 GLU CA C 47 58.788 59.190 -0.402 1
1 443 . 8 1 1 A 38 38 GLU CB C 47 29.349 29.297 0.052 1
1 445 . 8 1 1 A 38 38 GLU N N 47 119.258 120.360 -1.102 1
1 446 . 8 1 1 A 39 39 MET H H 48 7.918 7.890 0.028 1
1 447 . 8 1 1 A 39 39 MET HA H 48 3.612 4.044 -0.432 1
1 452 . 8 1 1 A 39 39 MET C C 48 178.232 178.298 -0.066 1
1 453 . 8 1 1 A 39 39 MET CA C 48 58.226 58.276 -0.050 1
1 454 . 8 1 1 A 39 39 MET CB C 48 32.351 32.275 0.076 1
1 456 . 8 1 1 A 39 39 MET N N 48 120.952 119.385 1.567 1
1 457 . 8 1 1 A 40 40 LEU H H 49 8.042 7.687 0.355 1
1 458 . 8 1 1 A 40 40 LEU HA H 49 3.867 3.899 -0.032 1
1 468 . 8 1 1 A 40 40 LEU C C 49 179.543 178.670 0.873 1
1 469 . 8 1 1 A 40 40 LEU CA C 49 56.726 57.688 -0.962 1
1 470 . 8 1 1 A 40 40 LEU CB C 49 41.913 41.685 0.228 1
1 474 . 8 1 1 A 40 40 LEU N N 49 119.191 121.218 -2.027 1
1 475 . 8 1 1 A 41 41 LYS H H 50 7.604 8.180 -0.576 1
1 476 . 8 1 1 A 41 41 LYS HA H 50 3.957 3.949 0.008 1
1 485 . 8 1 1 A 41 41 LYS C C 50 178.305 179.388 -1.083 1
1 486 . 8 1 1 A 41 41 LYS CA C 50 58.788 59.796 -1.008 1
1 487 . 8 1 1 A 41 41 LYS CB C 50 32.726 31.998 0.728 1
1 491 . 8 1 1 A 41 41 LYS N N 50 119.815 119.145 0.670 1
1 492 . 8 1 1 A 42 42 GLU H H 51 7.972 7.488 0.484 1
1 493 . 8 1 1 A 42 42 GLU HA H 51 4.238 3.991 0.247 1
1 498 . 8 1 1 A 42 42 GLU C C 51 177.837 176.987 0.850 1
1 499 . 8 1 1 A 42 42 GLU CA C 51 56.913 56.820 0.093 1
1 500 . 8 1 1 A 42 42 GLU CB C 51 30.660 29.260 1.400 1
1 502 . 8 1 1 A 42 42 GLU N N 51 116.691 117.650 -0.959 1
1 503 . 8 1 1 A 43 43 GLY H H 52 8.022 7.343 0.679 1
1 504 . 8 1 1 A 43 43 GLY HA2 H 52 4.051 3.862 0.189 1
1 505 . 8 1 1 A 43 43 GLY HA3 H 52 3.778 3.890 -0.112 1
1 506 . 8 1 1 A 43 43 GLY C C 52 174.278 174.131 0.147 1
1 507 . 8 1 1 A 43 43 GLY CA C 52 46.037 45.438 0.599 1
1 508 . 8 1 1 A 43 43 GLY N N 52 108.181 108.108 0.073 1
1 509 . 8 1 1 A 44 44 TYR H H 53 7.184 7.298 -0.114 1
1 510 . 8 1 1 A 44 44 TYR HA H 53 4.787 4.557 0.230 1
1 517 . 8 1 1 A 44 44 TYR C C 53 174.725 175.200 -0.475 1
1 518 . 8 1 1 A 44 44 TYR CA C 53 55.976 57.695 -1.719 1
1 519 . 8 1 1 A 44 44 TYR CB C 53 38.913 39.597 -0.684 1
1 522 . 8 1 1 A 44 44 TYR N N 53 117.550 120.218 -2.668 1
1 523 . 8 1 1 A 45 45 ARG H H 54 7.969 8.532 -0.563 1
1 524 . 8 1 1 A 45 45 ARG HA H 54 4.412 4.436 -0.024 1
1 531 . 8 1 1 A 45 45 ARG C C 54 174.902 176.096 -1.194 1
1 532 . 8 1 1 A 45 45 ARG CA C 54 54.849 57.119 -2.270 1
1 533 . 8 1 1 A 45 45 ARG CB C 54 32.164 30.333 1.831 1
1 536 . 8 1 1 A 45 45 ARG N N 54 120.614 120.077 0.537 1
1 537 . 8 1 1 A 46 46 CYS H H 55 8.579 8.751 -0.172 1
1 538 . 8 1 1 A 46 46 CYS HA H 55 4.236 4.640 -0.404 1
1 541 . 8 1 1 A 46 46 CYS CA C 55 57.477 58.027 -0.550 1
1 542 . 8 1 1 A 46 46 CYS CB C 55 30.849 27.744 3.105 1
1 543 . 8 1 1 A 46 46 CYS N N 55 123.189 123.480 -0.291 1
1 544 . 8 1 1 A 47 47 PRO HA H 56 4.459 4.338 0.121 1
1 551 . 8 1 1 A 47 47 PRO C C 56 178.242 178.044 0.198 1
1 552 . 8 1 1 A 47 47 PRO CA C 56 64.225 64.341 -0.116 1
1 553 . 8 1 1 A 47 47 PRO CB C 56 32.913 31.813 1.100 1
1 556 . 8 1 1 A 48 48 LEU H H 57 8.285 7.567 0.718 1
1 557 . 8 1 1 A 48 48 LEU HA H 57 4.191 4.075 0.116 1
1 567 . 8 1 1 A 48 48 LEU C C 57 178.783 178.655 0.128 1
1 568 . 8 1 1 A 48 48 LEU CA C 57 55.789 56.550 -0.761 1
1 569 . 8 1 1 A 48 48 LEU CB C 57 41.163 40.808 0.355 1
1 573 . 8 1 1 A 48 48 LEU N N 57 119.589 116.832 2.757 1
1 574 . 8 1 1 A 49 49 CYS H H 58 7.949 7.708 0.241 1
1 575 . 8 1 1 A 49 49 CYS HA H 58 4.281 4.425 -0.144 1
1 578 . 8 1 1 A 49 49 CYS C C 58 176.088 175.314 0.774 1
1 579 . 8 1 1 A 49 49 CYS CA C 58 63.475 61.760 1.715 1
1 580 . 8 1 1 A 49 49 CYS CB C 58 30.099 27.048 3.051 1
1 581 . 8 1 1 A 49 49 CYS N N 58 123.132 117.958 5.174 1
1 582 . 8 1 1 A 50 50 MET H H 59 7.717 8.062 -0.345 1
1 583 . 8 1 1 A 50 50 MET HA H 59 4.332 4.624 -0.292 1
1 588 . 8 1 1 A 50 50 MET C C 59 175.870 175.488 0.382 1
1 589 . 8 1 1 A 50 50 MET CA C 59 55.601 54.663 0.938 1
1 590 . 8 1 1 A 50 50 MET CB C 59 32.164 33.839 -1.675 1
1 592 . 8 1 1 A 50 50 MET N N 59 118.057 117.777 0.280 1
1 593 . 8 1 1 A 51 51 HIS H H 60 7.965 7.329 0.636 1
1 594 . 8 1 1 A 51 51 HIS HA H 60 4.709 4.939 -0.230 1
1 598 . 8 1 1 A 51 51 HIS C C 60 174.267 172.582 1.685 1
1 599 . 8 1 1 A 51 51 HIS CA C 60 55.601 55.828 -0.227 1
1 600 . 8 1 1 A 51 51 HIS CB C 60 30.661 32.059 -1.398 1
1 602 . 8 1 1 A 51 51 HIS N N 60 119.437 119.875 -0.438 1
1 12 . 9 1 1 A 2 2 ASN H H 11 8.476 8.772 -0.296 1
1 13 . 9 1 1 A 2 2 ASN HA H 11 4.704 5.262 -0.558 1
1 16 . 9 1 1 A 2 2 ASN C C 11 175.058 173.632 1.426 1
1 17 . 9 1 1 A 2 2 ASN CA C 11 53.375 52.660 0.715 1
1 18 . 9 1 1 A 2 2 ASN CB C 11 38.913 42.109 -3.196 1
1 19 . 9 1 1 A 2 2 ASN N N 11 119.245 123.153 -3.908 1
1 20 . 9 1 1 A 3 3 VAL H H 12 8.023 8.719 -0.696 1
1 21 . 9 1 1 A 3 3 VAL HA H 12 4.171 4.312 -0.141 1
1 29 . 9 1 1 A 3 3 VAL C C 12 176.120 175.063 1.057 1
1 30 . 9 1 1 A 3 3 VAL CA C 12 61.975 62.536 -0.561 1
1 31 . 9 1 1 A 3 3 VAL CB C 12 32.913 30.612 2.301 1
1 34 . 9 1 1 A 3 3 VAL N N 12 119.852 124.872 -5.020 1
1 35 . 9 1 1 A 4 4 SER H H 13 8.384 7.880 0.504 1
1 36 . 9 1 1 A 4 4 SER HA H 13 4.452 4.795 -0.343 1
1 39 . 9 1 1 A 4 4 SER C C 13 174.153 174.123 0.030 1
1 40 . 9 1 1 A 4 4 SER CA C 13 58.226 57.565 0.661 1
1 41 . 9 1 1 A 4 4 SER CB C 13 63.663 65.846 -2.183 1
1 42 . 9 1 1 A 4 4 SER N N 13 119.429 119.061 0.368 1
1 43 . 9 1 1 A 5 5 GLN H H 14 8.299 8.328 -0.029 1
1 44 . 9 1 1 A 5 5 GLN HA H 14 4.332 4.180 0.152 1
1 49 . 9 1 1 A 5 5 GLN C C 14 175.152 176.280 -1.128 1
1 50 . 9 1 1 A 5 5 GLN CA C 14 56.164 58.326 -2.162 1
1 51 . 9 1 1 A 5 5 GLN CB C 14 29.724 29.315 0.409 1
1 53 . 9 1 1 A 5 5 GLN N N 14 123.721 123.088 0.633 1
1 54 . 9 1 1 A 6 6 GLN H H 15 8.692 7.182 1.510 1
1 55 . 9 1 1 A 6 6 GLN HA H 15 4.343 4.896 -0.553 1
1 60 . 9 1 1 A 6 6 GLN C C 15 175.193 174.237 0.956 1
1 61 . 9 1 1 A 6 6 GLN CA C 15 56.539 54.367 2.172 1
1 62 . 9 1 1 A 6 6 GLN CB C 15 30.474 33.922 -3.448 1
1 64 . 9 1 1 A 6 6 GLN N N 15 124.240 117.244 6.996 1
1 65 . 9 1 1 A 7 7 ASN H H 16 8.291 8.922 -0.631 1
1 66 . 9 1 1 A 7 7 ASN HA H 16 5.049 5.426 -0.377 1
1 69 . 9 1 1 A 7 7 ASN C C 16 175.141 173.302 1.839 1
1 70 . 9 1 1 A 7 7 ASN CA C 16 52.224 51.383 0.841 1
1 71 . 9 1 1 A 7 7 ASN CB C 16 40.600 42.676 -2.076 1
1 72 . 9 1 1 A 7 7 ASN N N 16 116.809 116.979 -0.170 1
1 73 . 9 1 1 A 8 8 CYS H H 17 8.737 8.887 -0.150 1
1 74 . 9 1 1 A 8 8 CYS HA H 17 4.584 4.705 -0.121 1
1 77 . 9 1 1 A 8 8 CYS CA C 17 56.164 55.721 0.443 1
1 78 . 9 1 1 A 8 8 CYS CB C 17 31.976 29.428 2.548 1
1 79 . 9 1 1 A 8 8 CYS N N 17 127.386 120.523 6.863 1
1 80 . 9 1 1 A 9 9 PRO HA H 18 4.457 4.382 0.075 1
1 87 . 9 1 1 A 9 9 PRO C C 18 175.922 178.147 -2.225 1
1 88 . 9 1 1 A 9 9 PRO CA C 18 63.663 64.274 -0.611 1
1 89 . 9 1 1 A 9 9 PRO CB C 18 32.913 31.933 0.980 1
1 92 . 9 1 1 A 10 10 ILE H H 19 8.471 8.178 0.293 1
1 93 . 9 1 1 A 10 10 ILE HA H 19 4.171 3.949 0.222 1
1 103 . 9 1 1 A 10 10 ILE C C 19 175.891 177.252 -1.361 1
1 104 . 9 1 1 A 10 10 ILE CA C 19 62.350 63.512 -1.162 1
1 105 . 9 1 1 A 10 10 ILE CB C 19 37.226 37.935 -0.709 1
1 109 . 9 1 1 A 10 10 ILE N N 19 121.858 116.273 5.585 1
1 110 . 9 1 1 A 11 11 CYS H H 20 7.443 7.398 0.045 1
1 111 . 9 1 1 A 11 11 CYS HA H 20 4.841 4.678 0.163 1
1 114 . 9 1 1 A 11 11 CYS C C 20 175.683 175.184 0.499 1
1 115 . 9 1 1 A 11 11 CYS CA C 20 57.851 58.300 -0.449 1
1 116 . 9 1 1 A 11 11 CYS CB C 20 31.601 28.723 2.878 1
1 117 . 9 1 1 A 11 11 CYS N N 20 115.827 117.386 -1.559 1
1 118 . 9 1 1 A 12 12 LEU H H 21 7.940 7.984 -0.044 1
1 119 . 9 1 1 A 12 12 LEU HA H 21 4.241 4.014 0.227 1
1 129 . 9 1 1 A 12 12 LEU C C 21 176.286 175.645 0.641 1
1 130 . 9 1 1 A 12 12 LEU CA C 21 56.726 56.292 0.434 1
1 131 . 9 1 1 A 12 12 LEU CB C 21 38.163 40.248 -2.085 1
1 135 . 9 1 1 A 12 12 LEU N N 21 118.743 116.907 1.836 1
1 136 . 9 1 1 A 13 13 GLU H H 22 8.545 7.967 0.578 1
1 137 . 9 1 1 A 13 13 GLU HA H 22 4.700 4.667 0.033 1
1 142 . 9 1 1 A 13 13 GLU C C 22 176.910 175.612 1.298 1
1 143 . 9 1 1 A 13 13 GLU CA C 22 55.224 54.712 0.512 1
1 144 . 9 1 1 A 13 13 GLU CB C 22 31.414 30.836 0.578 1
1 146 . 9 1 1 A 13 13 GLU N N 22 119.659 118.126 1.533 1
1 147 . 9 1 1 A 14 14 ASP H H 23 8.705 8.588 0.117 1
1 148 . 9 1 1 A 14 14 ASP HA H 23 4.732 4.718 0.014 1
1 151 . 9 1 1 A 14 14 ASP C C 23 177.077 175.653 1.424 1
1 152 . 9 1 1 A 14 14 ASP CA C 23 55.414 54.577 0.837 1
1 153 . 9 1 1 A 14 14 ASP CB C 23 42.288 41.872 0.416 1
1 154 . 9 1 1 A 14 14 ASP N N 23 121.813 121.892 -0.079 1
1 155 . 9 1 1 A 15 15 ILE H H 24 8.603 8.173 0.430 1
1 156 . 9 1 1 A 15 15 ILE HA H 24 4.173 4.830 -0.657 1
1 166 . 9 1 1 A 15 15 ILE C C 24 174.920 174.537 0.383 1
1 167 . 9 1 1 A 15 15 ILE CA C 24 59.726 60.341 -0.615 1
1 168 . 9 1 1 A 15 15 ILE CB C 24 40.413 41.081 -0.668 1
1 172 . 9 1 1 A 15 15 ILE N N 24 123.686 125.320 -1.634 1
1 173 . 9 1 1 A 16 16 HIS H H 25 8.581 9.107 -0.526 1
1 174 . 9 1 1 A 16 16 HIS HA H 25 4.685 5.024 -0.339 1
1 178 . 9 1 1 A 16 16 HIS C C 25 176.609 176.146 0.463 1
1 179 . 9 1 1 A 16 16 HIS CA C 25 56.913 55.343 1.570 1
1 180 . 9 1 1 A 16 16 HIS CB C 25 30.474 32.455 -1.981 1
1 182 . 9 1 1 A 16 16 HIS N N 25 123.042 125.320 -2.278 1
1 183 . 9 1 1 A 17 17 THR H H 26 8.241 9.042 -0.801 1
1 184 . 9 1 1 A 17 17 THR HA H 26 4.303 4.179 0.124 1
1 189 . 9 1 1 A 17 17 THR C C 26 175.037 174.540 0.497 1
1 190 . 9 1 1 A 17 17 THR CA C 26 62.913 64.829 -1.916 1
1 191 . 9 1 1 A 17 17 THR CB C 26 68.912 69.008 -0.096 1
1 193 . 9 1 1 A 17 17 THR N N 26 114.128 116.021 -1.893 1
1 194 . 9 1 1 A 18 18 SER H H 27 8.160 7.749 0.411 1
1 195 . 9 1 1 A 18 18 SER HA H 27 4.514 4.300 0.214 1
1 198 . 9 1 1 A 18 18 SER C C 27 175.058 175.917 -0.859 1
1 199 . 9 1 1 A 18 18 SER CA C 27 58.413 58.467 -0.054 1
1 200 . 9 1 1 A 18 18 SER CB C 27 63.100 63.514 -0.414 1
1 201 . 9 1 1 A 18 18 SER N N 27 116.330 116.498 -0.168 1
1 202 . 9 1 1 A 19 19 ARG H H 28 8.200 8.625 -0.425 1
1 203 . 9 1 1 A 19 19 ARG HA H 28 4.233 4.647 -0.414 1
1 210 . 9 1 1 A 19 19 ARG C C 28 176.463 178.281 -1.818 1
1 211 . 9 1 1 A 19 19 ARG CA C 28 57.293 57.203 0.090 1
1 212 . 9 1 1 A 19 19 ARG CB C 28 30.474 29.946 0.528 1
1 215 . 9 1 1 A 19 19 ARG N N 28 121.067 126.424 -5.357 1
1 216 . 9 1 1 A 20 20 VAL H H 29 7.789 7.808 -0.019 1
1 217 . 9 1 1 A 20 20 VAL HA H 29 4.294 3.857 0.437 1
1 225 . 9 1 1 A 20 20 VAL C C 29 175.599 177.184 -1.585 1
1 226 . 9 1 1 A 20 20 VAL CA C 29 61.601 64.611 -3.010 1
1 227 . 9 1 1 A 20 20 VAL CB C 29 33.476 31.811 1.665 1
1 229 . 9 1 1 A 20 20 VAL N N 29 117.329 119.949 -2.620 1
1 230 . 9 1 1 A 21 21 VAL H H 30 8.068 7.816 0.252 1
1 231 . 9 1 1 A 21 21 VAL HA H 30 4.253 4.133 0.120 1
1 239 . 9 1 1 A 21 21 VAL C C 30 175.589 176.050 -0.461 1
1 240 . 9 1 1 A 21 21 VAL CA C 30 62.163 64.612 -2.449 1
1 241 . 9 1 1 A 21 21 VAL CB C 30 32.164 32.422 -0.258 1
1 244 . 9 1 1 A 21 21 VAL N N 30 121.049 119.546 1.503 1
1 245 . 9 1 1 A 22 22 ALA H H 31 8.303 7.513 0.790 1
1 246 . 9 1 1 A 22 22 ALA HA H 31 4.609 4.478 0.131 1
1 250 . 9 1 1 A 22 22 ALA C C 31 176.307 176.908 -0.601 1
1 251 . 9 1 1 A 22 22 ALA CA C 31 51.662 51.248 0.414 1
1 252 . 9 1 1 A 22 22 ALA CB C 31 20.725 18.712 2.013 1
1 253 . 9 1 1 A 22 22 ALA N N 31 127.856 123.699 4.157 1
1 254 . 9 1 1 A 23 23 HIS H H 32 9.100 8.916 0.184 1
1 255 . 9 1 1 A 23 23 HIS HA H 32 4.488 4.373 0.115 1
1 259 . 9 1 1 A 23 23 HIS C C 32 173.154 174.251 -1.097 1
1 260 . 9 1 1 A 23 23 HIS CA C 32 56.164 57.663 -1.499 1
1 261 . 9 1 1 A 23 23 HIS CB C 32 33.476 30.397 3.079 1
1 263 . 9 1 1 A 23 23 HIS N N 32 121.613 125.637 -4.024 1
1 264 . 9 1 1 A 24 24 VAL H H 33 7.498 8.136 -0.638 1
1 265 . 9 1 1 A 24 24 VAL HA H 33 4.130 4.576 -0.446 1
1 273 . 9 1 1 A 24 24 VAL C C 33 175.859 175.968 -0.109 1
1 274 . 9 1 1 A 24 24 VAL CA C 33 61.038 61.863 -0.825 1
1 275 . 9 1 1 A 24 24 VAL CB C 33 31.976 32.229 -0.253 1
1 278 . 9 1 1 A 24 24 VAL N N 33 126.760 127.107 -0.347 1
1 279 . 9 1 1 A 25 25 LEU H H 34 8.426 8.948 -0.522 1
1 280 . 9 1 1 A 25 25 LEU HA H 34 4.461 4.520 -0.059 1
1 290 . 9 1 1 A 25 25 LEU CA C 34 54.661 53.711 0.950 1
1 291 . 9 1 1 A 25 25 LEU CB C 34 43.787 41.177 2.610 1
1 295 . 9 1 1 A 25 25 LEU N N 34 127.479 130.620 -3.141 1
1 296 . 9 1 1 A 26 26 PRO HA H 35 4.302 4.548 -0.246 1
1 303 . 9 1 1 A 26 26 PRO C C 35 176.494 177.244 -0.750 1
1 304 . 9 1 1 A 26 26 PRO CA C 35 65.350 64.281 1.069 1
1 305 . 9 1 1 A 26 26 PRO CB C 35 31.789 31.658 0.131 1
1 308 . 9 1 1 A 27 27 CYS H H 36 7.266 7.712 -0.446 1
1 309 . 9 1 1 A 27 27 CYS HA H 36 4.407 4.535 -0.128 1
1 312 . 9 1 1 A 27 27 CYS C C 36 176.016 174.701 1.315 1
1 313 . 9 1 1 A 27 27 CYS CA C 36 56.726 58.621 -1.895 1
1 314 . 9 1 1 A 27 27 CYS CB C 36 31.601 27.843 3.758 1
1 315 . 9 1 1 A 27 27 CYS N N 36 111.241 117.057 -5.816 1
1 316 . 9 1 1 A 28 28 GLY H H 37 8.211 8.255 -0.044 1
1 317 . 9 1 1 A 28 28 GLY HA2 H 37 4.122 3.740 0.382 1
1 318 . 9 1 1 A 28 28 GLY HA3 H 37 3.329 3.815 -0.486 1
1 319 . 9 1 1 A 28 28 GLY C C 37 173.903 174.331 -0.428 1
1 320 . 9 1 1 A 28 28 GLY CA C 37 44.725 45.602 -0.877 1
1 321 . 9 1 1 A 28 28 GLY N N 37 111.309 109.724 1.585 1
1 322 . 9 1 1 A 29 29 HIS H H 38 8.109 7.596 0.513 1
1 323 . 9 1 1 A 29 29 HIS HA H 38 4.622 4.734 -0.112 1
1 327 . 9 1 1 A 29 29 HIS C C 38 173.029 174.490 -1.461 1
1 328 . 9 1 1 A 29 29 HIS CA C 38 59.351 55.755 3.596 1
1 329 . 9 1 1 A 29 29 HIS CB C 38 31.224 32.281 -1.057 1
1 331 . 9 1 1 A 29 29 HIS N N 38 121.624 118.124 3.500 1
1 332 . 9 1 1 A 30 30 LEU H H 39 8.923 8.753 0.170 1
1 333 . 9 1 1 A 30 30 LEU HA H 39 5.112 5.230 -0.118 1
1 343 . 9 1 1 A 30 30 LEU C C 39 176.380 175.749 0.631 1
1 344 . 9 1 1 A 30 30 LEU CA C 39 54.474 53.524 0.950 1
1 345 . 9 1 1 A 30 30 LEU CB C 39 45.662 44.517 1.145 1
1 349 . 9 1 1 A 30 30 LEU N N 39 120.785 121.042 -0.257 1
1 350 . 9 1 1 A 31 31 LEU H H 40 8.586 8.586 0.000 1
1 351 . 9 1 1 A 31 31 LEU HA H 40 5.144 4.800 0.344 1
1 361 . 9 1 1 A 31 31 LEU C C 40 177.701 175.712 1.989 1
1 362 . 9 1 1 A 31 31 LEU CA C 40 53.161 53.621 -0.460 1
1 363 . 9 1 1 A 31 31 LEU CB C 40 47.350 45.421 1.929 1
1 366 . 9 1 1 A 31 31 LEU N N 40 117.837 121.584 -3.747 1
1 367 . 9 1 1 A 32 32 HIS H H 41 7.726 8.027 -0.301 1
1 368 . 9 1 1 A 32 32 HIS HA H 41 4.693 4.778 -0.085 1
1 372 . 9 1 1 A 32 32 HIS C C 41 176.994 176.343 0.651 1
1 373 . 9 1 1 A 32 32 HIS CA C 41 59.913 55.544 4.369 1
1 374 . 9 1 1 A 32 32 HIS CB C 41 31.036 31.273 -0.237 1
1 376 . 9 1 1 A 32 32 HIS N N 41 118.242 116.534 1.708 1
1 377 . 9 1 1 A 33 33 ARG H H 42 9.564 9.160 0.404 1
1 378 . 9 1 1 A 33 33 ARG HA H 42 4.055 3.952 0.103 1
1 385 . 9 1 1 A 33 33 ARG C C 42 178.388 178.315 0.073 1
1 386 . 9 1 1 A 33 33 ARG CA C 42 60.476 60.116 0.360 1
1 387 . 9 1 1 A 33 33 ARG CB C 42 29.536 30.157 -0.621 1
1 390 . 9 1 1 A 33 33 ARG N N 42 124.900 120.348 4.552 1
1 391 . 9 1 1 A 34 34 THR H H 43 8.386 8.455 -0.069 1
1 392 . 9 1 1 A 34 34 THR HA H 43 4.101 4.018 0.083 1
1 397 . 9 1 1 A 34 34 THR C C 43 177.285 177.093 0.192 1
1 398 . 9 1 1 A 34 34 THR CA C 43 64.788 66.751 -1.963 1
1 399 . 9 1 1 A 34 34 THR CB C 43 67.787 68.088 -0.301 1
1 401 . 9 1 1 A 34 34 THR N N 43 109.798 114.478 -4.680 1
1 402 . 9 1 1 A 35 35 CYS H H 44 6.825 8.631 -1.806 1
1 403 . 9 1 1 A 35 35 CYS HA H 44 4.066 4.409 -0.343 1
1 406 . 9 1 1 A 35 35 CYS C C 44 176.671 177.590 -0.919 1
1 407 . 9 1 1 A 35 35 CYS CA C 44 63.100 62.798 0.302 1
1 408 . 9 1 1 A 35 35 CYS CB C 44 28.787 27.219 1.568 1
1 409 . 9 1 1 A 35 35 CYS N N 44 123.057 119.195 3.862 1
1 410 . 9 1 1 A 36 36 TYR H H 45 8.484 8.252 0.232 1
1 411 . 9 1 1 A 36 36 TYR HA H 45 4.200 4.068 0.132 1
1 418 . 9 1 1 A 36 36 TYR C C 45 176.140 177.712 -1.572 1
1 419 . 9 1 1 A 36 36 TYR CA C 45 60.101 61.253 -1.152 1
1 420 . 9 1 1 A 36 36 TYR CB C 45 37.601 38.498 -0.897 1
1 423 . 9 1 1 A 36 36 TYR N N 45 119.972 123.374 -3.402 1
1 424 . 9 1 1 A 37 37 GLU H H 46 7.925 7.955 -0.030 1
1 425 . 9 1 1 A 37 37 GLU HA H 46 3.546 3.526 0.020 1
1 430 . 9 1 1 A 37 37 GLU C C 46 179.574 178.700 0.874 1
1 431 . 9 1 1 A 37 37 GLU CA C 46 59.351 59.946 -0.595 1
1 432 . 9 1 1 A 37 37 GLU CB C 46 28.787 29.480 -0.693 1
1 434 . 9 1 1 A 37 37 GLU N N 46 117.277 118.522 -1.245 1
1 435 . 9 1 1 A 38 38 GLU H H 47 7.598 8.255 -0.657 1
1 436 . 9 1 1 A 38 38 GLU HA H 47 4.041 4.055 -0.014 1
1 441 . 9 1 1 A 38 38 GLU C C 47 177.743 178.859 -1.116 1
1 442 . 9 1 1 A 38 38 GLU CA C 47 58.788 59.157 -0.369 1
1 443 . 9 1 1 A 38 38 GLU CB C 47 29.349 29.251 0.098 1
1 445 . 9 1 1 A 38 38 GLU N N 47 119.258 120.110 -0.852 1
1 446 . 9 1 1 A 39 39 MET H H 48 7.918 8.082 -0.164 1
1 447 . 9 1 1 A 39 39 MET HA H 48 3.612 4.407 -0.795 1
1 452 . 9 1 1 A 39 39 MET C C 48 178.232 178.549 -0.317 1
1 453 . 9 1 1 A 39 39 MET CA C 48 58.226 58.469 -0.243 1
1 454 . 9 1 1 A 39 39 MET CB C 48 32.351 32.310 0.041 1
1 456 . 9 1 1 A 39 39 MET N N 48 120.952 119.484 1.468 1
1 457 . 9 1 1 A 40 40 LEU H H 49 8.042 7.902 0.140 1
1 458 . 9 1 1 A 40 40 LEU HA H 49 3.867 3.948 -0.081 1
1 468 . 9 1 1 A 40 40 LEU C C 49 179.543 178.359 1.184 1
1 469 . 9 1 1 A 40 40 LEU CA C 49 56.726 57.651 -0.925 1
1 470 . 9 1 1 A 40 40 LEU CB C 49 41.913 41.127 0.786 1
1 474 . 9 1 1 A 40 40 LEU N N 49 119.191 121.187 -1.996 1
1 475 . 9 1 1 A 41 41 LYS H H 50 7.604 8.148 -0.544 1
1 476 . 9 1 1 A 41 41 LYS HA H 50 3.957 3.821 0.136 1
1 485 . 9 1 1 A 41 41 LYS C C 50 178.305 179.092 -0.787 1
1 486 . 9 1 1 A 41 41 LYS CA C 50 58.788 59.417 -0.629 1
1 487 . 9 1 1 A 41 41 LYS CB C 50 32.726 32.094 0.632 1
1 491 . 9 1 1 A 41 41 LYS N N 50 119.815 119.247 0.568 1
1 492 . 9 1 1 A 42 42 GLU H H 51 7.972 8.083 -0.111 1
1 493 . 9 1 1 A 42 42 GLU HA H 51 4.238 4.030 0.208 1
1 498 . 9 1 1 A 42 42 GLU C C 51 177.837 177.778 0.059 1
1 499 . 9 1 1 A 42 42 GLU CA C 51 56.913 58.071 -1.158 1
1 500 . 9 1 1 A 42 42 GLU CB C 51 30.660 29.679 0.981 1
1 502 . 9 1 1 A 42 42 GLU N N 51 116.691 117.052 -0.361 1
1 503 . 9 1 1 A 43 43 GLY H H 52 8.022 8.524 -0.502 1
1 504 . 9 1 1 A 43 43 GLY HA2 H 52 4.051 3.939 0.112 1
1 505 . 9 1 1 A 43 43 GLY HA3 H 52 3.778 3.961 -0.183 1
1 506 . 9 1 1 A 43 43 GLY C C 52 174.278 173.962 0.316 1
1 507 . 9 1 1 A 43 43 GLY CA C 52 46.037 46.629 -0.592 1
1 508 . 9 1 1 A 43 43 GLY N N 52 108.181 107.575 0.606 1
1 509 . 9 1 1 A 44 44 TYR H H 53 7.184 7.971 -0.787 1
1 510 . 9 1 1 A 44 44 TYR HA H 53 4.787 5.014 -0.227 1
1 517 . 9 1 1 A 44 44 TYR C C 53 174.725 174.788 -0.063 1
1 518 . 9 1 1 A 44 44 TYR CA C 53 55.976 55.907 0.069 1
1 519 . 9 1 1 A 44 44 TYR CB C 53 38.913 41.188 -2.275 1
1 522 . 9 1 1 A 44 44 TYR N N 53 117.550 117.051 0.499 1
1 523 . 9 1 1 A 45 45 ARG H H 54 7.969 8.410 -0.441 1
1 524 . 9 1 1 A 45 45 ARG HA H 54 4.412 4.254 0.158 1
1 531 . 9 1 1 A 45 45 ARG C C 54 174.902 175.871 -0.969 1
1 532 . 9 1 1 A 45 45 ARG CA C 54 54.849 56.680 -1.831 1
1 533 . 9 1 1 A 45 45 ARG CB C 54 32.164 30.452 1.712 1
1 536 . 9 1 1 A 45 45 ARG N N 54 120.614 119.640 0.974 1
1 537 . 9 1 1 A 46 46 CYS H H 55 8.579 8.489 0.090 1
1 538 . 9 1 1 A 46 46 CYS HA H 55 4.236 4.159 0.077 1
1 541 . 9 1 1 A 46 46 CYS CA C 55 57.477 57.677 -0.200 1
1 542 . 9 1 1 A 46 46 CYS CB C 55 30.849 27.491 3.358 1
1 543 . 9 1 1 A 46 46 CYS N N 55 123.189 123.991 -0.802 1
1 544 . 9 1 1 A 47 47 PRO HA H 56 4.459 4.337 0.122 1
1 551 . 9 1 1 A 47 47 PRO C C 56 178.242 178.010 0.232 1
1 552 . 9 1 1 A 47 47 PRO CA C 56 64.225 64.417 -0.192 1
1 553 . 9 1 1 A 47 47 PRO CB C 56 32.913 31.977 0.936 1
1 556 . 9 1 1 A 48 48 LEU H H 57 8.285 7.417 0.868 1
1 557 . 9 1 1 A 48 48 LEU HA H 57 4.191 4.051 0.140 1
1 567 . 9 1 1 A 48 48 LEU C C 57 178.783 178.957 -0.174 1
1 568 . 9 1 1 A 48 48 LEU CA C 57 55.789 56.597 -0.808 1
1 569 . 9 1 1 A 48 48 LEU CB C 57 41.163 40.776 0.387 1
1 573 . 9 1 1 A 48 48 LEU N N 57 119.589 116.922 2.667 1
1 574 . 9 1 1 A 49 49 CYS H H 58 7.949 7.802 0.147 1
1 575 . 9 1 1 A 49 49 CYS HA H 58 4.281 4.502 -0.221 1
1 578 . 9 1 1 A 49 49 CYS C C 58 176.088 175.580 0.508 1
1 579 . 9 1 1 A 49 49 CYS CA C 58 63.475 61.654 1.821 1
1 580 . 9 1 1 A 49 49 CYS CB C 58 30.099 26.842 3.257 1
1 581 . 9 1 1 A 49 49 CYS N N 58 123.132 117.833 5.299 1
1 582 . 9 1 1 A 50 50 MET H H 59 7.717 7.989 -0.272 1
1 583 . 9 1 1 A 50 50 MET HA H 59 4.332 4.677 -0.345 1
1 588 . 9 1 1 A 50 50 MET C C 59 175.870 174.764 1.106 1
1 589 . 9 1 1 A 50 50 MET CA C 59 55.601 54.630 0.971 1
1 590 . 9 1 1 A 50 50 MET CB C 59 32.164 33.468 -1.304 1
1 592 . 9 1 1 A 50 50 MET N N 59 118.057 117.573 0.484 1
1 593 . 9 1 1 A 51 51 HIS H H 60 7.965 7.524 0.441 1
1 594 . 9 1 1 A 51 51 HIS HA H 60 4.709 4.858 -0.149 1
1 598 . 9 1 1 A 51 51 HIS C C 60 174.267 172.837 1.430 1
1 599 . 9 1 1 A 51 51 HIS CA C 60 55.601 55.203 0.398 1
1 600 . 9 1 1 A 51 51 HIS CB C 60 30.661 33.462 -2.801 1
1 602 . 9 1 1 A 51 51 HIS N N 60 119.437 120.128 -0.691 1
1 12 . 10 1 1 A 2 2 ASN H H 11 8.476 8.902 -0.426 1
1 13 . 10 1 1 A 2 2 ASN HA H 11 4.704 5.055 -0.351 1
1 16 . 10 1 1 A 2 2 ASN C C 11 175.058 173.544 1.514 1
1 17 . 10 1 1 A 2 2 ASN CA C 11 53.375 52.517 0.858 1
1 18 . 10 1 1 A 2 2 ASN CB C 11 38.913 42.736 -3.823 1
1 19 . 10 1 1 A 2 2 ASN N N 11 119.245 118.402 0.843 1
1 20 . 10 1 1 A 3 3 VAL H H 12 8.023 8.607 -0.584 1
1 21 . 10 1 1 A 3 3 VAL HA H 12 4.171 4.170 0.001 1
1 29 . 10 1 1 A 3 3 VAL C C 12 176.120 175.612 0.508 1
1 30 . 10 1 1 A 3 3 VAL CA C 12 61.975 63.480 -1.505 1
1 31 . 10 1 1 A 3 3 VAL CB C 12 32.913 30.691 2.222 1
1 34 . 10 1 1 A 3 3 VAL N N 12 119.852 125.937 -6.085 1
1 35 . 10 1 1 A 4 4 SER H H 13 8.384 8.422 -0.038 1
1 36 . 10 1 1 A 4 4 SER HA H 13 4.452 4.852 -0.400 1
1 39 . 10 1 1 A 4 4 SER C C 13 174.153 174.254 -0.101 1
1 40 . 10 1 1 A 4 4 SER CA C 13 58.226 57.156 1.070 1
1 41 . 10 1 1 A 4 4 SER CB C 13 63.663 65.584 -1.921 1
1 42 . 10 1 1 A 4 4 SER N N 13 119.429 120.782 -1.353 1
1 43 . 10 1 1 A 5 5 GLN H H 14 8.299 8.242 0.057 1
1 44 . 10 1 1 A 5 5 GLN HA H 14 4.332 4.231 0.101 1
1 49 . 10 1 1 A 5 5 GLN C C 14 175.152 175.895 -0.743 1
1 50 . 10 1 1 A 5 5 GLN CA C 14 56.164 57.768 -1.604 1
1 51 . 10 1 1 A 5 5 GLN CB C 14 29.724 29.299 0.425 1
1 53 . 10 1 1 A 5 5 GLN N N 14 123.721 122.443 1.278 1
1 54 . 10 1 1 A 6 6 GLN H H 15 8.692 7.927 0.765 1
1 55 . 10 1 1 A 6 6 GLN HA H 15 4.343 4.773 -0.430 1
1 60 . 10 1 1 A 6 6 GLN C C 15 175.193 174.763 0.430 1
1 61 . 10 1 1 A 6 6 GLN CA C 15 56.539 54.490 2.049 1
1 62 . 10 1 1 A 6 6 GLN CB C 15 30.474 32.114 -1.640 1
1 64 . 10 1 1 A 6 6 GLN N N 15 124.240 117.224 7.016 1
1 65 . 10 1 1 A 7 7 ASN H H 16 8.291 8.758 -0.467 1
1 66 . 10 1 1 A 7 7 ASN HA H 16 5.049 5.536 -0.487 1
1 69 . 10 1 1 A 7 7 ASN C C 16 175.141 174.039 1.102 1
1 70 . 10 1 1 A 7 7 ASN CA C 16 52.224 52.053 0.171 1
1 71 . 10 1 1 A 7 7 ASN CB C 16 40.600 40.170 0.430 1
1 72 . 10 1 1 A 7 7 ASN N N 16 116.809 118.033 -1.224 1
1 73 . 10 1 1 A 8 8 CYS H H 17 8.737 9.013 -0.276 1
1 74 . 10 1 1 A 8 8 CYS HA H 17 4.584 4.666 -0.082 1
1 77 . 10 1 1 A 8 8 CYS CA C 17 56.164 56.402 -0.238 1
1 78 . 10 1 1 A 8 8 CYS CB C 17 31.976 29.106 2.870 1
1 79 . 10 1 1 A 8 8 CYS N N 17 127.386 122.620 4.766 1
1 80 . 10 1 1 A 9 9 PRO HA H 18 4.457 4.424 0.033 1
1 87 . 10 1 1 A 9 9 PRO C C 18 175.922 177.579 -1.657 1
1 88 . 10 1 1 A 9 9 PRO CA C 18 63.663 64.046 -0.383 1
1 89 . 10 1 1 A 9 9 PRO CB C 18 32.913 31.788 1.125 1
1 92 . 10 1 1 A 10 10 ILE H H 19 8.471 8.319 0.152 1
1 93 . 10 1 1 A 10 10 ILE HA H 19 4.171 4.020 0.151 1
1 103 . 10 1 1 A 10 10 ILE C C 19 175.891 176.946 -1.055 1
1 104 . 10 1 1 A 10 10 ILE CA C 19 62.350 63.072 -0.722 1
1 105 . 10 1 1 A 10 10 ILE CB C 19 37.226 37.905 -0.679 1
1 109 . 10 1 1 A 10 10 ILE N N 19 121.858 116.192 5.666 1
1 110 . 10 1 1 A 11 11 CYS H H 20 7.443 7.464 -0.021 1
1 111 . 10 1 1 A 11 11 CYS HA H 20 4.841 4.629 0.212 1
1 114 . 10 1 1 A 11 11 CYS C C 20 175.683 175.130 0.553 1
1 115 . 10 1 1 A 11 11 CYS CA C 20 57.851 58.331 -0.480 1
1 116 . 10 1 1 A 11 11 CYS CB C 20 31.601 28.867 2.734 1
1 117 . 10 1 1 A 11 11 CYS N N 20 115.827 117.649 -1.822 1
1 118 . 10 1 1 A 12 12 LEU H H 21 7.940 7.986 -0.046 1
1 119 . 10 1 1 A 12 12 LEU HA H 21 4.241 3.866 0.375 1
1 129 . 10 1 1 A 12 12 LEU C C 21 176.286 175.406 0.880 1
1 130 . 10 1 1 A 12 12 LEU CA C 21 56.726 56.216 0.510 1
1 131 . 10 1 1 A 12 12 LEU CB C 21 38.163 40.175 -2.012 1
1 135 . 10 1 1 A 12 12 LEU N N 21 118.743 116.497 2.246 1
1 136 . 10 1 1 A 13 13 GLU H H 22 8.545 7.538 1.007 1
1 137 . 10 1 1 A 13 13 GLU HA H 22 4.700 4.741 -0.041 1
1 142 . 10 1 1 A 13 13 GLU C C 22 176.910 175.504 1.406 1
1 143 . 10 1 1 A 13 13 GLU CA C 22 55.224 54.479 0.745 1
1 144 . 10 1 1 A 13 13 GLU CB C 22 31.414 30.880 0.534 1
1 146 . 10 1 1 A 13 13 GLU N N 22 119.659 118.243 1.416 1
1 147 . 10 1 1 A 14 14 ASP H H 23 8.705 8.601 0.104 1
1 148 . 10 1 1 A 14 14 ASP HA H 23 4.732 4.733 -0.001 1
1 151 . 10 1 1 A 14 14 ASP C C 23 177.077 175.785 1.292 1
1 152 . 10 1 1 A 14 14 ASP CA C 23 55.414 54.724 0.690 1
1 153 . 10 1 1 A 14 14 ASP CB C 23 42.288 41.834 0.454 1
1 154 . 10 1 1 A 14 14 ASP N N 23 121.813 121.720 0.093 1
1 155 . 10 1 1 A 15 15 ILE H H 24 8.603 8.682 -0.079 1
1 156 . 10 1 1 A 15 15 ILE HA H 24 4.173 4.921 -0.748 1
1 166 . 10 1 1 A 15 15 ILE C C 24 174.920 175.026 -0.106 1
1 167 . 10 1 1 A 15 15 ILE CA C 24 59.726 60.354 -0.628 1
1 168 . 10 1 1 A 15 15 ILE CB C 24 40.413 41.215 -0.802 1
1 172 . 10 1 1 A 15 15 ILE N N 24 123.686 125.874 -2.188 1
1 173 . 10 1 1 A 16 16 HIS H H 25 8.581 9.077 -0.496 1
1 174 . 10 1 1 A 16 16 HIS HA H 25 4.685 5.000 -0.315 1
1 178 . 10 1 1 A 16 16 HIS C C 25 176.609 176.789 -0.180 1
1 179 . 10 1 1 A 16 16 HIS CA C 25 56.913 55.715 1.198 1
1 180 . 10 1 1 A 16 16 HIS CB C 25 30.474 32.139 -1.665 1
1 182 . 10 1 1 A 16 16 HIS N N 25 123.042 125.957 -2.915 1
1 183 . 10 1 1 A 17 17 THR H H 26 8.241 8.408 -0.167 1
1 184 . 10 1 1 A 17 17 THR HA H 26 4.303 4.017 0.286 1
1 189 . 10 1 1 A 17 17 THR C C 26 175.037 174.815 0.222 1
1 190 . 10 1 1 A 17 17 THR CA C 26 62.913 65.005 -2.092 1
1 191 . 10 1 1 A 17 17 THR CB C 26 68.912 68.724 0.188 1
1 193 . 10 1 1 A 17 17 THR N N 26 114.128 115.509 -1.381 1
1 194 . 10 1 1 A 18 18 SER H H 27 8.160 7.634 0.526 1
1 195 . 10 1 1 A 18 18 SER HA H 27 4.514 4.293 0.221 1
1 198 . 10 1 1 A 18 18 SER C C 27 175.058 175.725 -0.667 1
1 199 . 10 1 1 A 18 18 SER CA C 27 58.413 58.778 -0.365 1
1 200 . 10 1 1 A 18 18 SER CB C 27 63.100 64.210 -1.110 1
1 201 . 10 1 1 A 18 18 SER N N 27 116.330 117.603 -1.273 1
1 202 . 10 1 1 A 19 19 ARG H H 28 8.200 8.803 -0.603 1
1 203 . 10 1 1 A 19 19 ARG HA H 28 4.233 4.574 -0.341 1
1 210 . 10 1 1 A 19 19 ARG C C 28 176.463 178.382 -1.919 1
1 211 . 10 1 1 A 19 19 ARG CA C 28 57.293 59.296 -2.003 1
1 212 . 10 1 1 A 19 19 ARG CB C 28 30.474 29.738 0.736 1
1 215 . 10 1 1 A 19 19 ARG N N 28 121.067 129.106 -8.039 1
1 216 . 10 1 1 A 20 20 VAL H H 29 7.789 7.402 0.387 1
1 217 . 10 1 1 A 20 20 VAL HA H 29 4.294 3.721 0.573 1
1 225 . 10 1 1 A 20 20 VAL C C 29 175.599 177.968 -2.369 1
1 226 . 10 1 1 A 20 20 VAL CA C 29 61.601 66.481 -4.880 1
1 227 . 10 1 1 A 20 20 VAL CB C 29 33.476 31.742 1.734 1
1 229 . 10 1 1 A 20 20 VAL N N 29 117.329 120.023 -2.694 1
1 230 . 10 1 1 A 21 21 VAL H H 30 8.068 7.291 0.777 1
1 231 . 10 1 1 A 21 21 VAL HA H 30 4.253 3.913 0.340 1
1 239 . 10 1 1 A 21 21 VAL C C 30 175.589 176.056 -0.467 1
1 240 . 10 1 1 A 21 21 VAL CA C 30 62.163 65.046 -2.883 1
1 241 . 10 1 1 A 21 21 VAL CB C 30 32.164 32.825 -0.661 1
1 244 . 10 1 1 A 21 21 VAL N N 30 121.049 118.339 2.710 1
1 245 . 10 1 1 A 22 22 ALA H H 31 8.303 8.014 0.289 1
1 246 . 10 1 1 A 22 22 ALA HA H 31 4.609 4.566 0.043 1
1 250 . 10 1 1 A 22 22 ALA C C 31 176.307 176.703 -0.396 1
1 251 . 10 1 1 A 22 22 ALA CA C 31 51.662 50.763 0.899 1
1 252 . 10 1 1 A 22 22 ALA CB C 31 20.725 19.651 1.074 1
1 253 . 10 1 1 A 22 22 ALA N N 31 127.856 122.150 5.706 1
1 254 . 10 1 1 A 23 23 HIS H H 32 9.100 9.097 0.003 1
1 255 . 10 1 1 A 23 23 HIS HA H 32 4.488 4.524 -0.036 1
1 259 . 10 1 1 A 23 23 HIS C C 32 173.154 174.095 -0.941 1
1 260 . 10 1 1 A 23 23 HIS CA C 32 56.164 57.710 -1.546 1
1 261 . 10 1 1 A 23 23 HIS CB C 32 33.476 30.569 2.907 1
1 263 . 10 1 1 A 23 23 HIS N N 32 121.613 125.919 -4.306 1
1 264 . 10 1 1 A 24 24 VAL H H 33 7.498 8.192 -0.694 1
1 265 . 10 1 1 A 24 24 VAL HA H 33 4.130 4.841 -0.711 1
1 273 . 10 1 1 A 24 24 VAL C C 33 175.859 175.676 0.183 1
1 274 . 10 1 1 A 24 24 VAL CA C 33 61.038 60.778 0.260 1
1 275 . 10 1 1 A 24 24 VAL CB C 33 31.976 33.038 -1.062 1
1 278 . 10 1 1 A 24 24 VAL N N 33 126.760 126.046 0.714 1
1 279 . 10 1 1 A 25 25 LEU H H 34 8.426 9.079 -0.653 1
1 280 . 10 1 1 A 25 25 LEU HA H 34 4.461 4.580 -0.119 1
1 290 . 10 1 1 A 25 25 LEU CA C 34 54.661 53.531 1.130 1
1 291 . 10 1 1 A 25 25 LEU CB C 34 43.787 41.337 2.450 1
1 295 . 10 1 1 A 25 25 LEU N N 34 127.479 129.386 -1.907 1
1 296 . 10 1 1 A 26 26 PRO HA H 35 4.302 4.278 0.024 1
1 303 . 10 1 1 A 26 26 PRO C C 35 176.494 177.395 -0.901 1
1 304 . 10 1 1 A 26 26 PRO CA C 35 65.350 64.779 0.571 1
1 305 . 10 1 1 A 26 26 PRO CB C 35 31.789 31.868 -0.079 1
1 308 . 10 1 1 A 27 27 CYS H H 36 7.266 7.692 -0.426 1
1 309 . 10 1 1 A 27 27 CYS HA H 36 4.407 4.447 -0.040 1
1 312 . 10 1 1 A 27 27 CYS C C 36 176.016 174.669 1.347 1
1 313 . 10 1 1 A 27 27 CYS CA C 36 56.726 58.718 -1.992 1
1 314 . 10 1 1 A 27 27 CYS CB C 36 31.601 27.769 3.832 1
1 315 . 10 1 1 A 27 27 CYS N N 36 111.241 116.288 -5.047 1
1 316 . 10 1 1 A 28 28 GLY H H 37 8.211 8.144 0.067 1
1 317 . 10 1 1 A 28 28 GLY HA2 H 37 4.122 3.730 0.392 1
1 318 . 10 1 1 A 28 28 GLY HA3 H 37 3.329 3.792 -0.463 1
1 319 . 10 1 1 A 28 28 GLY C C 37 173.903 174.434 -0.531 1
1 320 . 10 1 1 A 28 28 GLY CA C 37 44.725 45.793 -1.068 1
1 321 . 10 1 1 A 28 28 GLY N N 37 111.309 109.745 1.564 1
1 322 . 10 1 1 A 29 29 HIS H H 38 8.109 7.595 0.514 1
1 323 . 10 1 1 A 29 29 HIS HA H 38 4.622 4.690 -0.068 1
1 327 . 10 1 1 A 29 29 HIS C C 38 173.029 174.519 -1.490 1
1 328 . 10 1 1 A 29 29 HIS CA C 38 59.351 55.836 3.515 1
1 329 . 10 1 1 A 29 29 HIS CB C 38 31.224 32.076 -0.852 1
1 331 . 10 1 1 A 29 29 HIS N N 38 121.624 117.768 3.856 1
1 332 . 10 1 1 A 30 30 LEU H H 39 8.923 8.667 0.256 1
1 333 . 10 1 1 A 30 30 LEU HA H 39 5.112 5.339 -0.227 1
1 343 . 10 1 1 A 30 30 LEU C C 39 176.380 175.797 0.583 1
1 344 . 10 1 1 A 30 30 LEU CA C 39 54.474 53.593 0.881 1
1 345 . 10 1 1 A 30 30 LEU CB C 39 45.662 44.347 1.315 1
1 349 . 10 1 1 A 30 30 LEU N N 39 120.785 121.043 -0.258 1
1 350 . 10 1 1 A 31 31 LEU H H 40 8.586 8.789 -0.203 1
1 351 . 10 1 1 A 31 31 LEU HA H 40 5.144 4.788 0.356 1
1 361 . 10 1 1 A 31 31 LEU C C 40 177.701 175.650 2.051 1
1 362 . 10 1 1 A 31 31 LEU CA C 40 53.161 53.651 -0.490 1
1 363 . 10 1 1 A 31 31 LEU CB C 40 47.350 45.435 1.915 1
1 366 . 10 1 1 A 31 31 LEU N N 40 117.837 121.587 -3.750 1
1 367 . 10 1 1 A 32 32 HIS H H 41 7.726 7.887 -0.161 1
1 368 . 10 1 1 A 32 32 HIS HA H 41 4.693 5.298 -0.605 1
1 372 . 10 1 1 A 32 32 HIS C C 41 176.994 176.339 0.655 1
1 373 . 10 1 1 A 32 32 HIS CA C 41 59.913 55.346 4.567 1
1 374 . 10 1 1 A 32 32 HIS CB C 41 31.036 31.520 -0.484 1
1 376 . 10 1 1 A 32 32 HIS N N 41 118.242 116.517 1.725 1
1 377 . 10 1 1 A 33 33 ARG H H 42 9.564 8.665 0.899 1
1 378 . 10 1 1 A 33 33 ARG HA H 42 4.055 3.860 0.195 1
1 385 . 10 1 1 A 33 33 ARG C C 42 178.388 178.129 0.259 1
1 386 . 10 1 1 A 33 33 ARG CA C 42 60.476 60.133 0.343 1
1 387 . 10 1 1 A 33 33 ARG CB C 42 29.536 30.220 -0.684 1
1 390 . 10 1 1 A 33 33 ARG N N 42 124.900 120.388 4.512 1
1 391 . 10 1 1 A 34 34 THR H H 43 8.386 8.431 -0.045 1
1 392 . 10 1 1 A 34 34 THR HA H 43 4.101 3.964 0.137 1
1 397 . 10 1 1 A 34 34 THR C C 43 177.285 176.919 0.366 1
1 398 . 10 1 1 A 34 34 THR CA C 43 64.788 66.741 -1.953 1
1 399 . 10 1 1 A 34 34 THR CB C 43 67.787 68.008 -0.221 1
1 401 . 10 1 1 A 34 34 THR N N 43 109.798 114.435 -4.637 1
1 402 . 10 1 1 A 35 35 CYS H H 44 6.825 8.489 -1.664 1
1 403 . 10 1 1 A 35 35 CYS HA H 44 4.066 4.577 -0.511 1
1 406 . 10 1 1 A 35 35 CYS C C 44 176.671 177.229 -0.558 1
1 407 . 10 1 1 A 35 35 CYS CA C 44 63.100 62.782 0.318 1
1 408 . 10 1 1 A 35 35 CYS CB C 44 28.787 27.295 1.492 1
1 409 . 10 1 1 A 35 35 CYS N N 44 123.057 118.268 4.789 1
1 410 . 10 1 1 A 36 36 TYR H H 45 8.484 8.253 0.231 1
1 411 . 10 1 1 A 36 36 TYR HA H 45 4.200 4.058 0.142 1
1 418 . 10 1 1 A 36 36 TYR C C 45 176.140 177.883 -1.743 1
1 419 . 10 1 1 A 36 36 TYR CA C 45 60.101 61.560 -1.459 1
1 420 . 10 1 1 A 36 36 TYR CB C 45 37.601 38.667 -1.066 1
1 423 . 10 1 1 A 36 36 TYR N N 45 119.972 123.496 -3.524 1
1 424 . 10 1 1 A 37 37 GLU H H 46 7.925 7.972 -0.047 1
1 425 . 10 1 1 A 37 37 GLU HA H 46 3.546 3.590 -0.044 1
1 430 . 10 1 1 A 37 37 GLU C C 46 179.574 178.896 0.678 1
1 431 . 10 1 1 A 37 37 GLU CA C 46 59.351 59.808 -0.457 1
1 432 . 10 1 1 A 37 37 GLU CB C 46 28.787 29.465 -0.678 1
1 434 . 10 1 1 A 37 37 GLU N N 46 117.277 118.734 -1.457 1
1 435 . 10 1 1 A 38 38 GLU H H 47 7.598 8.240 -0.642 1
1 436 . 10 1 1 A 38 38 GLU HA H 47 4.041 4.026 0.015 1
1 441 . 10 1 1 A 38 38 GLU C C 47 177.743 179.022 -1.279 1
1 442 . 10 1 1 A 38 38 GLU CA C 47 58.788 59.160 -0.372 1
1 443 . 10 1 1 A 38 38 GLU CB C 47 29.349 29.162 0.187 1
1 445 . 10 1 1 A 38 38 GLU N N 47 119.258 120.477 -1.219 1
1 446 . 10 1 1 A 39 39 MET H H 48 7.918 7.959 -0.041 1
1 447 . 10 1 1 A 39 39 MET HA H 48 3.612 4.404 -0.792 1
1 452 . 10 1 1 A 39 39 MET C C 48 178.232 178.555 -0.323 1
1 453 . 10 1 1 A 39 39 MET CA C 48 58.226 58.420 -0.194 1
1 454 . 10 1 1 A 39 39 MET CB C 48 32.351 32.379 -0.028 1
1 456 . 10 1 1 A 39 39 MET N N 48 120.952 119.565 1.387 1
1 457 . 10 1 1 A 40 40 LEU H H 49 8.042 7.853 0.189 1
1 458 . 10 1 1 A 40 40 LEU HA H 49 3.867 3.938 -0.071 1
1 468 . 10 1 1 A 40 40 LEU C C 49 179.543 178.304 1.239 1
1 469 . 10 1 1 A 40 40 LEU CA C 49 56.726 57.605 -0.879 1
1 470 . 10 1 1 A 40 40 LEU CB C 49 41.913 40.970 0.943 1
1 474 . 10 1 1 A 40 40 LEU N N 49 119.191 121.117 -1.926 1
1 475 . 10 1 1 A 41 41 LYS H H 50 7.604 8.222 -0.618 1
1 476 . 10 1 1 A 41 41 LYS HA H 50 3.957 3.891 0.066 1
1 485 . 10 1 1 A 41 41 LYS C C 50 178.305 179.015 -0.710 1
1 486 . 10 1 1 A 41 41 LYS CA C 50 58.788 59.660 -0.872 1
1 487 . 10 1 1 A 41 41 LYS CB C 50 32.726 32.429 0.297 1
1 491 . 10 1 1 A 41 41 LYS N N 50 119.815 119.216 0.599 1
1 492 . 10 1 1 A 42 42 GLU H H 51 7.972 7.547 0.425 1
1 493 . 10 1 1 A 42 42 GLU HA H 51 4.238 4.272 -0.034 1
1 498 . 10 1 1 A 42 42 GLU C C 51 177.837 177.724 0.113 1
1 499 . 10 1 1 A 42 42 GLU CA C 51 56.913 57.136 -0.223 1
1 500 . 10 1 1 A 42 42 GLU CB C 51 30.660 30.181 0.479 1
1 502 . 10 1 1 A 42 42 GLU N N 51 116.691 116.231 0.460 1
1 503 . 10 1 1 A 43 43 GLY H H 52 8.022 8.346 -0.324 1
1 504 . 10 1 1 A 43 43 GLY HA2 H 52 4.051 3.926 0.125 1
1 505 . 10 1 1 A 43 43 GLY HA3 H 52 3.778 3.965 -0.187 1
1 506 . 10 1 1 A 43 43 GLY C C 52 174.278 174.086 0.192 1
1 507 . 10 1 1 A 43 43 GLY CA C 52 46.037 46.409 -0.372 1
1 508 . 10 1 1 A 43 43 GLY N N 52 108.181 108.067 0.114 1
1 509 . 10 1 1 A 44 44 TYR H H 53 7.184 7.939 -0.755 1
1 510 . 10 1 1 A 44 44 TYR HA H 53 4.787 4.603 0.184 1
1 517 . 10 1 1 A 44 44 TYR C C 53 174.725 175.494 -0.769 1
1 518 . 10 1 1 A 44 44 TYR CA C 53 55.976 57.410 -1.434 1
1 519 . 10 1 1 A 44 44 TYR CB C 53 38.913 39.844 -0.931 1
1 522 . 10 1 1 A 44 44 TYR N N 53 117.550 118.865 -1.315 1
1 523 . 10 1 1 A 45 45 ARG H H 54 7.969 8.492 -0.523 1
1 524 . 10 1 1 A 45 45 ARG HA H 54 4.412 4.130 0.282 1
1 531 . 10 1 1 A 45 45 ARG C C 54 174.902 175.522 -0.620 1
1 532 . 10 1 1 A 45 45 ARG CA C 54 54.849 56.404 -1.555 1
1 533 . 10 1 1 A 45 45 ARG CB C 54 32.164 30.391 1.773 1
1 536 . 10 1 1 A 45 45 ARG N N 54 120.614 117.880 2.734 1
1 537 . 10 1 1 A 46 46 CYS H H 55 8.579 8.641 -0.062 1
1 538 . 10 1 1 A 46 46 CYS HA H 55 4.236 4.321 -0.085 1
1 541 . 10 1 1 A 46 46 CYS CA C 55 57.477 57.638 -0.161 1
1 542 . 10 1 1 A 46 46 CYS CB C 55 30.849 27.302 3.547 1
1 543 . 10 1 1 A 46 46 CYS N N 55 123.189 120.745 2.444 1
1 544 . 10 1 1 A 47 47 PRO HA H 56 4.459 4.437 0.022 1
1 551 . 10 1 1 A 47 47 PRO C C 56 178.242 177.869 0.373 1
1 552 . 10 1 1 A 47 47 PRO CA C 56 64.225 64.338 -0.113 1
1 553 . 10 1 1 A 47 47 PRO CB C 56 32.913 31.992 0.921 1
1 556 . 10 1 1 A 48 48 LEU H H 57 8.285 7.386 0.899 1
1 557 . 10 1 1 A 48 48 LEU HA H 57 4.191 4.441 -0.250 1
1 567 . 10 1 1 A 48 48 LEU C C 57 178.783 179.340 -0.557 1
1 568 . 10 1 1 A 48 48 LEU CA C 57 55.789 56.822 -1.033 1
1 569 . 10 1 1 A 48 48 LEU CB C 57 41.163 40.650 0.513 1
1 573 . 10 1 1 A 48 48 LEU N N 57 119.589 117.055 2.534 1
1 574 . 10 1 1 A 49 49 CYS H H 58 7.949 7.709 0.240 1
1 575 . 10 1 1 A 49 49 CYS HA H 58 4.281 4.369 -0.088 1
1 578 . 10 1 1 A 49 49 CYS C C 58 176.088 176.086 0.002 1
1 579 . 10 1 1 A 49 49 CYS CA C 58 63.475 62.739 0.736 1
1 580 . 10 1 1 A 49 49 CYS CB C 58 30.099 27.673 2.426 1
1 581 . 10 1 1 A 49 49 CYS N N 58 123.132 118.284 4.848 1
1 582 . 10 1 1 A 50 50 MET H H 59 7.717 7.832 -0.115 1
1 583 . 10 1 1 A 50 50 MET HA H 59 4.332 4.545 -0.213 1
1 588 . 10 1 1 A 50 50 MET C C 59 175.870 175.251 0.619 1
1 589 . 10 1 1 A 50 50 MET CA C 59 55.601 54.643 0.958 1
1 590 . 10 1 1 A 50 50 MET CB C 59 32.164 33.208 -1.044 1
1 592 . 10 1 1 A 50 50 MET N N 59 118.057 115.610 2.447 1
1 593 . 10 1 1 A 51 51 HIS H H 60 7.965 7.319 0.646 1
1 594 . 10 1 1 A 51 51 HIS HA H 60 4.709 5.338 -0.629 1
1 598 . 10 1 1 A 51 51 HIS C C 60 174.267 174.082 0.185 1
1 599 . 10 1 1 A 51 51 HIS CA C 60 55.601 54.717 0.884 1
1 600 . 10 1 1 A 51 51 HIS CB C 60 30.661 32.877 -2.216 1
1 602 . 10 1 1 A 51 51 HIS N N 60 119.437 118.484 0.953 1
1 12 . 11 1 1 A 2 2 ASN H H 11 8.476 8.067 0.409 1
1 13 . 11 1 1 A 2 2 ASN HA H 11 4.704 5.073 -0.369 1
1 16 . 11 1 1 A 2 2 ASN C C 11 175.058 174.304 0.754 1
1 17 . 11 1 1 A 2 2 ASN CA C 11 53.375 52.235 1.140 1
1 18 . 11 1 1 A 2 2 ASN CB C 11 38.913 39.143 -0.230 1
1 19 . 11 1 1 A 2 2 ASN N N 11 119.245 117.805 1.440 1
1 20 . 11 1 1 A 3 3 VAL H H 12 8.023 8.565 -0.542 1
1 21 . 11 1 1 A 3 3 VAL HA H 12 4.171 4.589 -0.418 1
1 29 . 11 1 1 A 3 3 VAL C C 12 176.120 175.961 0.159 1
1 30 . 11 1 1 A 3 3 VAL CA C 12 61.975 60.733 1.242 1
1 31 . 11 1 1 A 3 3 VAL CB C 12 32.913 31.904 1.009 1
1 34 . 11 1 1 A 3 3 VAL N N 12 119.852 120.519 -0.667 1
1 35 . 11 1 1 A 4 4 SER H H 13 8.384 8.652 -0.268 1
1 36 . 11 1 1 A 4 4 SER HA H 13 4.452 4.272 0.180 1
1 39 . 11 1 1 A 4 4 SER C C 13 174.153 175.261 -1.108 1
1 40 . 11 1 1 A 4 4 SER CA C 13 58.226 61.494 -3.268 1
1 41 . 11 1 1 A 4 4 SER CB C 13 63.663 63.343 0.320 1
1 42 . 11 1 1 A 4 4 SER N N 13 119.429 122.028 -2.599 1
1 43 . 11 1 1 A 5 5 GLN H H 14 8.299 7.908 0.391 1
1 44 . 11 1 1 A 5 5 GLN HA H 14 4.332 4.268 0.064 1
1 49 . 11 1 1 A 5 5 GLN C C 14 175.152 175.072 0.080 1
1 50 . 11 1 1 A 5 5 GLN CA C 14 56.164 55.149 1.015 1
1 51 . 11 1 1 A 5 5 GLN CB C 14 29.724 27.992 1.732 1
1 53 . 11 1 1 A 5 5 GLN N N 14 123.721 120.128 3.593 1
1 54 . 11 1 1 A 6 6 GLN H H 15 8.692 7.969 0.723 1
1 55 . 11 1 1 A 6 6 GLN HA H 15 4.343 4.211 0.132 1
1 60 . 11 1 1 A 6 6 GLN C C 15 175.193 175.799 -0.606 1
1 61 . 11 1 1 A 6 6 GLN CA C 15 56.539 56.737 -0.198 1
1 62 . 11 1 1 A 6 6 GLN CB C 15 30.474 29.465 1.009 1
1 64 . 11 1 1 A 6 6 GLN N N 15 124.240 125.750 -1.510 1
1 65 . 11 1 1 A 7 7 ASN H H 16 8.291 8.556 -0.265 1
1 66 . 11 1 1 A 7 7 ASN HA H 16 5.049 5.256 -0.207 1
1 69 . 11 1 1 A 7 7 ASN C C 16 175.141 173.988 1.153 1
1 70 . 11 1 1 A 7 7 ASN CA C 16 52.224 52.203 0.021 1
1 71 . 11 1 1 A 7 7 ASN CB C 16 40.600 39.960 0.640 1
1 72 . 11 1 1 A 7 7 ASN N N 16 116.809 119.201 -2.392 1
1 73 . 11 1 1 A 8 8 CYS H H 17 8.737 8.883 -0.146 1
1 74 . 11 1 1 A 8 8 CYS HA H 17 4.584 4.742 -0.158 1
1 77 . 11 1 1 A 8 8 CYS CA C 17 56.164 55.792 0.372 1
1 78 . 11 1 1 A 8 8 CYS CB C 17 31.976 29.239 2.737 1
1 79 . 11 1 1 A 8 8 CYS N N 17 127.386 121.269 6.117 1
1 80 . 11 1 1 A 9 9 PRO HA H 18 4.457 4.504 -0.047 1
1 87 . 11 1 1 A 9 9 PRO C C 18 175.922 178.035 -2.113 1
1 88 . 11 1 1 A 9 9 PRO CA C 18 63.663 64.258 -0.595 1
1 89 . 11 1 1 A 9 9 PRO CB C 18 32.913 31.921 0.992 1
1 92 . 11 1 1 A 10 10 ILE H H 19 8.471 8.198 0.273 1
1 93 . 11 1 1 A 10 10 ILE HA H 19 4.171 3.969 0.202 1
1 103 . 11 1 1 A 10 10 ILE C C 19 175.891 177.299 -1.408 1
1 104 . 11 1 1 A 10 10 ILE CA C 19 62.350 63.637 -1.287 1
1 105 . 11 1 1 A 10 10 ILE CB C 19 37.226 37.943 -0.717 1
1 109 . 11 1 1 A 10 10 ILE N N 19 121.858 116.290 5.568 1
1 110 . 11 1 1 A 11 11 CYS H H 20 7.443 7.342 0.101 1
1 111 . 11 1 1 A 11 11 CYS HA H 20 4.841 4.654 0.187 1
1 114 . 11 1 1 A 11 11 CYS C C 20 175.683 175.225 0.458 1
1 115 . 11 1 1 A 11 11 CYS CA C 20 57.851 58.402 -0.551 1
1 116 . 11 1 1 A 11 11 CYS CB C 20 31.601 29.244 2.357 1
1 117 . 11 1 1 A 11 11 CYS N N 20 115.827 116.987 -1.160 1
1 118 . 11 1 1 A 12 12 LEU H H 21 7.940 8.054 -0.114 1
1 119 . 11 1 1 A 12 12 LEU HA H 21 4.241 3.905 0.336 1
1 129 . 11 1 1 A 12 12 LEU C C 21 176.286 175.362 0.924 1
1 130 . 11 1 1 A 12 12 LEU CA C 21 56.726 56.358 0.368 1
1 131 . 11 1 1 A 12 12 LEU CB C 21 38.163 40.335 -2.172 1
1 135 . 11 1 1 A 12 12 LEU N N 21 118.743 117.324 1.419 1
1 136 . 11 1 1 A 13 13 GLU H H 22 8.545 7.497 1.048 1
1 137 . 11 1 1 A 13 13 GLU HA H 22 4.700 4.745 -0.045 1
1 142 . 11 1 1 A 13 13 GLU C C 22 176.910 175.285 1.625 1
1 143 . 11 1 1 A 13 13 GLU CA C 22 55.224 54.373 0.851 1
1 144 . 11 1 1 A 13 13 GLU CB C 22 31.414 31.754 -0.340 1
1 146 . 11 1 1 A 13 13 GLU N N 22 119.659 117.422 2.237 1
1 147 . 11 1 1 A 14 14 ASP H H 23 8.705 8.634 0.071 1
1 148 . 11 1 1 A 14 14 ASP HA H 23 4.732 4.710 0.022 1
1 151 . 11 1 1 A 14 14 ASP C C 23 177.077 175.459 1.618 1
1 152 . 11 1 1 A 14 14 ASP CA C 23 55.414 54.663 0.751 1
1 153 . 11 1 1 A 14 14 ASP CB C 23 42.288 41.870 0.418 1
1 154 . 11 1 1 A 14 14 ASP N N 23 121.813 121.696 0.117 1
1 155 . 11 1 1 A 15 15 ILE H H 24 8.603 8.435 0.168 1
1 156 . 11 1 1 A 15 15 ILE HA H 24 4.173 4.927 -0.754 1
1 166 . 11 1 1 A 15 15 ILE C C 24 174.920 175.057 -0.137 1
1 167 . 11 1 1 A 15 15 ILE CA C 24 59.726 60.036 -0.310 1
1 168 . 11 1 1 A 15 15 ILE CB C 24 40.413 42.186 -1.773 1
1 172 . 11 1 1 A 15 15 ILE N N 24 123.686 124.933 -1.247 1
1 173 . 11 1 1 A 16 16 HIS H H 25 8.581 8.891 -0.310 1
1 174 . 11 1 1 A 16 16 HIS HA H 25 4.685 5.035 -0.350 1
1 178 . 11 1 1 A 16 16 HIS C C 25 176.609 175.761 0.848 1
1 179 . 11 1 1 A 16 16 HIS CA C 25 56.913 54.098 2.815 1
1 180 . 11 1 1 A 16 16 HIS CB C 25 30.474 32.864 -2.390 1
1 182 . 11 1 1 A 16 16 HIS N N 25 123.042 124.234 -1.192 1
1 183 . 11 1 1 A 17 17 THR H H 26 8.241 9.324 -1.083 1
1 184 . 11 1 1 A 17 17 THR HA H 26 4.303 4.131 0.172 1
1 189 . 11 1 1 A 17 17 THR C C 26 175.037 175.026 0.011 1
1 190 . 11 1 1 A 17 17 THR CA C 26 62.913 65.343 -2.430 1
1 191 . 11 1 1 A 17 17 THR CB C 26 68.912 69.009 -0.097 1
1 193 . 11 1 1 A 17 17 THR N N 26 114.128 116.557 -2.429 1
1 194 . 11 1 1 A 18 18 SER H H 27 8.160 7.837 0.323 1
1 195 . 11 1 1 A 18 18 SER HA H 27 4.514 4.308 0.206 1
1 198 . 11 1 1 A 18 18 SER C C 27 175.058 174.024 1.034 1
1 199 . 11 1 1 A 18 18 SER CA C 27 58.413 59.992 -1.579 1
1 200 . 11 1 1 A 18 18 SER CB C 27 63.100 63.264 -0.164 1
1 201 . 11 1 1 A 18 18 SER N N 27 116.330 116.686 -0.356 1
1 202 . 11 1 1 A 19 19 ARG H H 28 8.200 8.879 -0.679 1
1 203 . 11 1 1 A 19 19 ARG HA H 28 4.233 4.205 0.028 1
1 210 . 11 1 1 A 19 19 ARG C C 28 176.463 178.424 -1.961 1
1 211 . 11 1 1 A 19 19 ARG CA C 28 57.293 58.456 -1.163 1
1 212 . 11 1 1 A 19 19 ARG CB C 28 30.474 30.017 0.457 1
1 215 . 11 1 1 A 19 19 ARG N N 28 121.067 126.716 -5.649 1
1 216 . 11 1 1 A 20 20 VAL H H 29 7.789 7.809 -0.020 1
1 217 . 11 1 1 A 20 20 VAL HA H 29 4.294 3.838 0.456 1
1 225 . 11 1 1 A 20 20 VAL C C 29 175.599 176.979 -1.380 1
1 226 . 11 1 1 A 20 20 VAL CA C 29 61.601 64.830 -3.229 1
1 227 . 11 1 1 A 20 20 VAL CB C 29 33.476 31.529 1.947 1
1 229 . 11 1 1 A 20 20 VAL N N 29 117.329 119.812 -2.483 1
1 230 . 11 1 1 A 21 21 VAL H H 30 8.068 7.248 0.820 1
1 231 . 11 1 1 A 21 21 VAL HA H 30 4.253 4.100 0.153 1
1 239 . 11 1 1 A 21 21 VAL C C 30 175.589 175.420 0.169 1
1 240 . 11 1 1 A 21 21 VAL CA C 30 62.163 64.360 -2.197 1
1 241 . 11 1 1 A 21 21 VAL CB C 30 32.164 32.518 -0.354 1
1 244 . 11 1 1 A 21 21 VAL N N 30 121.049 119.145 1.904 1
1 245 . 11 1 1 A 22 22 ALA H H 31 8.303 7.314 0.989 1
1 246 . 11 1 1 A 22 22 ALA HA H 31 4.609 4.624 -0.015 1
1 250 . 11 1 1 A 22 22 ALA C C 31 176.307 176.868 -0.561 1
1 251 . 11 1 1 A 22 22 ALA CA C 31 51.662 50.474 1.188 1
1 252 . 11 1 1 A 22 22 ALA CB C 31 20.725 21.741 -1.016 1
1 253 . 11 1 1 A 22 22 ALA N N 31 127.856 122.485 5.371 1
1 254 . 11 1 1 A 23 23 HIS H H 32 9.100 9.051 0.049 1
1 255 . 11 1 1 A 23 23 HIS HA H 32 4.488 4.664 -0.176 1
1 259 . 11 1 1 A 23 23 HIS C C 32 173.154 173.878 -0.724 1
1 260 . 11 1 1 A 23 23 HIS CA C 32 56.164 57.047 -0.883 1
1 261 . 11 1 1 A 23 23 HIS CB C 32 33.476 30.520 2.956 1
1 263 . 11 1 1 A 23 23 HIS N N 32 121.613 122.312 -0.699 1
1 264 . 11 1 1 A 24 24 VAL H H 33 7.498 8.533 -1.035 1
1 265 . 11 1 1 A 24 24 VAL HA H 33 4.130 4.699 -0.569 1
1 273 . 11 1 1 A 24 24 VAL C C 33 175.859 175.643 0.216 1
1 274 . 11 1 1 A 24 24 VAL CA C 33 61.038 60.769 0.269 1
1 275 . 11 1 1 A 24 24 VAL CB C 33 31.976 33.170 -1.194 1
1 278 . 11 1 1 A 24 24 VAL N N 33 126.760 127.159 -0.399 1
1 279 . 11 1 1 A 25 25 LEU H H 34 8.426 9.127 -0.701 1
1 280 . 11 1 1 A 25 25 LEU HA H 34 4.461 4.664 -0.203 1
1 290 . 11 1 1 A 25 25 LEU CA C 34 54.661 53.216 1.445 1
1 291 . 11 1 1 A 25 25 LEU CB C 34 43.787 41.455 2.332 1
1 295 . 11 1 1 A 25 25 LEU N N 34 127.479 129.609 -2.130 1
1 296 . 11 1 1 A 26 26 PRO HA H 35 4.302 4.535 -0.233 1
1 303 . 11 1 1 A 26 26 PRO C C 35 176.494 177.256 -0.762 1
1 304 . 11 1 1 A 26 26 PRO CA C 35 65.350 64.234 1.116 1
1 305 . 11 1 1 A 26 26 PRO CB C 35 31.789 31.636 0.153 1
1 308 . 11 1 1 A 27 27 CYS H H 36 7.266 7.703 -0.437 1
1 309 . 11 1 1 A 27 27 CYS HA H 36 4.407 4.494 -0.087 1
1 312 . 11 1 1 A 27 27 CYS C C 36 176.016 174.685 1.331 1
1 313 . 11 1 1 A 27 27 CYS CA C 36 56.726 58.603 -1.877 1
1 314 . 11 1 1 A 27 27 CYS CB C 36 31.601 27.685 3.916 1
1 315 . 11 1 1 A 27 27 CYS N N 36 111.241 117.057 -5.816 1
1 316 . 11 1 1 A 28 28 GLY H H 37 8.211 8.181 0.030 1
1 317 . 11 1 1 A 28 28 GLY HA2 H 37 4.122 3.739 0.383 1
1 318 . 11 1 1 A 28 28 GLY HA3 H 37 3.329 3.805 -0.476 1
1 319 . 11 1 1 A 28 28 GLY C C 37 173.903 174.437 -0.534 1
1 320 . 11 1 1 A 28 28 GLY CA C 37 44.725 45.801 -1.076 1
1 321 . 11 1 1 A 28 28 GLY N N 37 111.309 109.811 1.498 1
1 322 . 11 1 1 A 29 29 HIS H H 38 8.109 7.625 0.484 1
1 323 . 11 1 1 A 29 29 HIS HA H 38 4.622 4.736 -0.114 1
1 327 . 11 1 1 A 29 29 HIS C C 38 173.029 174.334 -1.305 1
1 328 . 11 1 1 A 29 29 HIS CA C 38 59.351 55.739 3.612 1
1 329 . 11 1 1 A 29 29 HIS CB C 38 31.224 32.225 -1.001 1
1 331 . 11 1 1 A 29 29 HIS N N 38 121.624 117.714 3.910 1
1 332 . 11 1 1 A 30 30 LEU H H 39 8.923 8.770 0.153 1
1 333 . 11 1 1 A 30 30 LEU HA H 39 5.112 5.335 -0.223 1
1 343 . 11 1 1 A 30 30 LEU C C 39 176.380 175.331 1.049 1
1 344 . 11 1 1 A 30 30 LEU CA C 39 54.474 53.567 0.907 1
1 345 . 11 1 1 A 30 30 LEU CB C 39 45.662 45.194 0.468 1
1 349 . 11 1 1 A 30 30 LEU N N 39 120.785 120.980 -0.195 1
1 350 . 11 1 1 A 31 31 LEU H H 40 8.586 8.652 -0.066 1
1 351 . 11 1 1 A 31 31 LEU HA H 40 5.144 4.772 0.372 1
1 361 . 11 1 1 A 31 31 LEU C C 40 177.701 175.438 2.263 1
1 362 . 11 1 1 A 31 31 LEU CA C 40 53.161 53.792 -0.631 1
1 363 . 11 1 1 A 31 31 LEU CB C 40 47.350 45.359 1.991 1
1 366 . 11 1 1 A 31 31 LEU N N 40 117.837 120.608 -2.771 1
1 367 . 11 1 1 A 32 32 HIS H H 41 7.726 7.797 -0.071 1
1 368 . 11 1 1 A 32 32 HIS HA H 41 4.693 4.686 0.007 1
1 372 . 11 1 1 A 32 32 HIS C C 41 176.994 176.369 0.625 1
1 373 . 11 1 1 A 32 32 HIS CA C 41 59.913 55.397 4.516 1
1 374 . 11 1 1 A 32 32 HIS CB C 41 31.036 31.328 -0.292 1
1 376 . 11 1 1 A 32 32 HIS N N 41 118.242 116.021 2.221 1
1 377 . 11 1 1 A 33 33 ARG H H 42 9.564 9.146 0.418 1
1 378 . 11 1 1 A 33 33 ARG HA H 42 4.055 3.939 0.116 1
1 385 . 11 1 1 A 33 33 ARG C C 42 178.388 178.323 0.065 1
1 386 . 11 1 1 A 33 33 ARG CA C 42 60.476 60.364 0.112 1
1 387 . 11 1 1 A 33 33 ARG CB C 42 29.536 30.172 -0.636 1
1 390 . 11 1 1 A 33 33 ARG N N 42 124.900 120.443 4.457 1
1 391 . 11 1 1 A 34 34 THR H H 43 8.386 8.330 0.056 1
1 392 . 11 1 1 A 34 34 THR HA H 43 4.101 3.915 0.186 1
1 397 . 11 1 1 A 34 34 THR C C 43 177.285 176.931 0.354 1
1 398 . 11 1 1 A 34 34 THR CA C 43 64.788 66.898 -2.110 1
1 399 . 11 1 1 A 34 34 THR CB C 43 67.787 68.638 -0.851 1
1 401 . 11 1 1 A 34 34 THR N N 43 109.798 114.848 -5.050 1
1 402 . 11 1 1 A 35 35 CYS H H 44 6.825 8.292 -1.467 1
1 403 . 11 1 1 A 35 35 CYS HA H 44 4.066 4.547 -0.481 1
1 406 . 11 1 1 A 35 35 CYS C C 44 176.671 176.970 -0.299 1
1 407 . 11 1 1 A 35 35 CYS CA C 44 63.100 63.256 -0.156 1
1 408 . 11 1 1 A 35 35 CYS CB C 44 28.787 27.044 1.743 1
1 409 . 11 1 1 A 35 35 CYS N N 44 123.057 118.536 4.521 1
1 410 . 11 1 1 A 36 36 TYR H H 45 8.484 8.321 0.163 1
1 411 . 11 1 1 A 36 36 TYR HA H 45 4.200 3.981 0.219 1
1 418 . 11 1 1 A 36 36 TYR C C 45 176.140 177.501 -1.361 1
1 419 . 11 1 1 A 36 36 TYR CA C 45 60.101 61.344 -1.243 1
1 420 . 11 1 1 A 36 36 TYR CB C 45 37.601 38.506 -0.905 1
1 423 . 11 1 1 A 36 36 TYR N N 45 119.972 122.915 -2.943 1
1 424 . 11 1 1 A 37 37 GLU H H 46 7.925 8.098 -0.173 1
1 425 . 11 1 1 A 37 37 GLU HA H 46 3.546 3.604 -0.058 1
1 430 . 11 1 1 A 37 37 GLU C C 46 179.574 178.786 0.788 1
1 431 . 11 1 1 A 37 37 GLU CA C 46 59.351 59.886 -0.535 1
1 432 . 11 1 1 A 37 37 GLU CB C 46 28.787 29.159 -0.372 1
1 434 . 11 1 1 A 37 37 GLU N N 46 117.277 118.475 -1.198 1
1 435 . 11 1 1 A 38 38 GLU H H 47 7.598 8.192 -0.594 1
1 436 . 11 1 1 A 38 38 GLU HA H 47 4.041 4.082 -0.041 1
1 441 . 11 1 1 A 38 38 GLU C C 47 177.743 178.762 -1.019 1
1 442 . 11 1 1 A 38 38 GLU CA C 47 58.788 59.047 -0.259 1
1 443 . 11 1 1 A 38 38 GLU CB C 47 29.349 29.293 0.056 1
1 445 . 11 1 1 A 38 38 GLU N N 47 119.258 120.507 -1.249 1
1 446 . 11 1 1 A 39 39 MET H H 48 7.918 7.936 -0.018 1
1 447 . 11 1 1 A 39 39 MET HA H 48 3.612 4.361 -0.749 1
1 452 . 11 1 1 A 39 39 MET C C 48 178.232 178.535 -0.303 1
1 453 . 11 1 1 A 39 39 MET CA C 48 58.226 58.526 -0.300 1
1 454 . 11 1 1 A 39 39 MET CB C 48 32.351 32.064 0.287 1
1 456 . 11 1 1 A 39 39 MET N N 48 120.952 119.540 1.412 1
1 457 . 11 1 1 A 40 40 LEU H H 49 8.042 8.020 0.022 1
1 458 . 11 1 1 A 40 40 LEU HA H 49 3.867 3.920 -0.053 1
1 468 . 11 1 1 A 40 40 LEU C C 49 179.543 178.105 1.438 1
1 469 . 11 1 1 A 40 40 LEU CA C 49 56.726 57.686 -0.960 1
1 470 . 11 1 1 A 40 40 LEU CB C 49 41.913 41.382 0.531 1
1 474 . 11 1 1 A 40 40 LEU N N 49 119.191 121.417 -2.226 1
1 475 . 11 1 1 A 41 41 LYS H H 50 7.604 8.118 -0.514 1
1 476 . 11 1 1 A 41 41 LYS HA H 50 3.957 3.936 0.021 1
1 485 . 11 1 1 A 41 41 LYS C C 50 178.305 178.884 -0.579 1
1 486 . 11 1 1 A 41 41 LYS CA C 50 58.788 59.884 -1.096 1
1 487 . 11 1 1 A 41 41 LYS CB C 50 32.726 32.504 0.222 1
1 491 . 11 1 1 A 41 41 LYS N N 50 119.815 119.184 0.631 1
1 492 . 11 1 1 A 42 42 GLU H H 51 7.972 7.690 0.282 1
1 493 . 11 1 1 A 42 42 GLU HA H 51 4.238 4.117 0.121 1
1 498 . 11 1 1 A 42 42 GLU C C 51 177.837 177.734 0.103 1
1 499 . 11 1 1 A 42 42 GLU CA C 51 56.913 57.672 -0.759 1
1 500 . 11 1 1 A 42 42 GLU CB C 51 30.660 29.780 0.880 1
1 502 . 11 1 1 A 42 42 GLU N N 51 116.691 116.916 -0.225 1
1 503 . 11 1 1 A 43 43 GLY H H 52 8.022 8.321 -0.299 1
1 504 . 11 1 1 A 43 43 GLY HA2 H 52 4.051 3.903 0.148 1
1 505 . 11 1 1 A 43 43 GLY HA3 H 52 3.778 3.936 -0.158 1
1 506 . 11 1 1 A 43 43 GLY C C 52 174.278 174.158 0.120 1
1 507 . 11 1 1 A 43 43 GLY CA C 52 46.037 46.574 -0.537 1
1 508 . 11 1 1 A 43 43 GLY N N 52 108.181 107.689 0.492 1
1 509 . 11 1 1 A 44 44 TYR H H 53 7.184 7.936 -0.752 1
1 510 . 11 1 1 A 44 44 TYR HA H 53 4.787 4.740 0.047 1
1 517 . 11 1 1 A 44 44 TYR C C 53 174.725 175.181 -0.456 1
1 518 . 11 1 1 A 44 44 TYR CA C 53 55.976 56.826 -0.850 1
1 519 . 11 1 1 A 44 44 TYR CB C 53 38.913 40.755 -1.842 1
1 522 . 11 1 1 A 44 44 TYR N N 53 117.550 118.003 -0.453 1
1 523 . 11 1 1 A 45 45 ARG H H 54 7.969 8.535 -0.566 1
1 524 . 11 1 1 A 45 45 ARG HA H 54 4.412 4.182 0.230 1
1 531 . 11 1 1 A 45 45 ARG C C 54 174.902 175.854 -0.952 1
1 532 . 11 1 1 A 45 45 ARG CA C 54 54.849 56.877 -2.028 1
1 533 . 11 1 1 A 45 45 ARG CB C 54 32.164 30.199 1.965 1
1 536 . 11 1 1 A 45 45 ARG N N 54 120.614 119.541 1.073 1
1 537 . 11 1 1 A 46 46 CYS H H 55 8.579 8.489 0.090 1
1 538 . 11 1 1 A 46 46 CYS HA H 55 4.236 4.200 0.036 1
1 541 . 11 1 1 A 46 46 CYS CA C 55 57.477 57.719 -0.242 1
1 542 . 11 1 1 A 46 46 CYS CB C 55 30.849 27.550 3.299 1
1 543 . 11 1 1 A 46 46 CYS N N 55 123.189 124.121 -0.932 1
1 544 . 11 1 1 A 47 47 PRO HA H 56 4.459 4.442 0.017 1
1 551 . 11 1 1 A 47 47 PRO C C 56 178.242 177.851 0.391 1
1 552 . 11 1 1 A 47 47 PRO CA C 56 64.225 64.344 -0.119 1
1 553 . 11 1 1 A 47 47 PRO CB C 56 32.913 31.926 0.987 1
1 556 . 11 1 1 A 48 48 LEU H H 57 8.285 7.429 0.856 1
1 557 . 11 1 1 A 48 48 LEU HA H 57 4.191 4.139 0.052 1
1 567 . 11 1 1 A 48 48 LEU C C 57 178.783 178.963 -0.180 1
1 568 . 11 1 1 A 48 48 LEU CA C 57 55.789 56.799 -1.010 1
1 569 . 11 1 1 A 48 48 LEU CB C 57 41.163 40.607 0.556 1
1 573 . 11 1 1 A 48 48 LEU N N 57 119.589 117.047 2.542 1
1 574 . 11 1 1 A 49 49 CYS H H 58 7.949 7.920 0.029 1
1 575 . 11 1 1 A 49 49 CYS HA H 58 4.281 4.497 -0.216 1
1 578 . 11 1 1 A 49 49 CYS C C 58 176.088 176.116 -0.028 1
1 579 . 11 1 1 A 49 49 CYS CA C 58 63.475 61.441 2.034 1
1 580 . 11 1 1 A 49 49 CYS CB C 58 30.099 26.652 3.447 1
1 581 . 11 1 1 A 49 49 CYS N N 58 123.132 117.990 5.142 1
1 582 . 11 1 1 A 50 50 MET H H 59 7.717 7.912 -0.195 1
1 583 . 11 1 1 A 50 50 MET HA H 59 4.332 4.511 -0.179 1
1 588 . 11 1 1 A 50 50 MET C C 59 175.870 176.460 -0.590 1
1 589 . 11 1 1 A 50 50 MET CA C 59 55.601 57.705 -2.104 1
1 590 . 11 1 1 A 50 50 MET CB C 59 32.164 34.761 -2.597 1
1 592 . 11 1 1 A 50 50 MET N N 59 118.057 117.806 0.251 1
1 593 . 11 1 1 A 51 51 HIS H H 60 7.965 7.869 0.096 1
1 594 . 11 1 1 A 51 51 HIS HA H 60 4.709 4.873 -0.164 1
1 598 . 11 1 1 A 51 51 HIS C C 60 174.267 173.071 1.196 1
1 599 . 11 1 1 A 51 51 HIS CA C 60 55.601 55.171 0.430 1
1 600 . 11 1 1 A 51 51 HIS CB C 60 30.661 33.080 -2.419 1
1 602 . 11 1 1 A 51 51 HIS N N 60 119.437 116.922 2.515 1
1 12 . 12 1 1 A 2 2 ASN H H 11 8.476 9.122 -0.646 1
1 13 . 12 1 1 A 2 2 ASN HA H 11 4.704 4.332 0.372 1
1 16 . 12 1 1 A 2 2 ASN C C 11 175.058 174.310 0.748 1
1 17 . 12 1 1 A 2 2 ASN CA C 11 53.375 53.929 -0.554 1
1 18 . 12 1 1 A 2 2 ASN CB C 11 38.913 36.964 1.949 1
1 19 . 12 1 1 A 2 2 ASN N N 11 119.245 123.401 -4.156 1
1 20 . 12 1 1 A 3 3 VAL H H 12 8.023 7.939 0.084 1
1 21 . 12 1 1 A 3 3 VAL HA H 12 4.171 4.903 -0.732 1
1 29 . 12 1 1 A 3 3 VAL C C 12 176.120 174.355 1.765 1
1 30 . 12 1 1 A 3 3 VAL CA C 12 61.975 59.899 2.076 1
1 31 . 12 1 1 A 3 3 VAL CB C 12 32.913 34.997 -2.084 1
1 34 . 12 1 1 A 3 3 VAL N N 12 119.852 117.111 2.741 1
1 35 . 12 1 1 A 4 4 SER H H 13 8.384 8.834 -0.450 1
1 36 . 12 1 1 A 4 4 SER HA H 13 4.452 4.642 -0.190 1
1 39 . 12 1 1 A 4 4 SER C C 13 174.153 175.663 -1.510 1
1 40 . 12 1 1 A 4 4 SER CA C 13 58.226 58.689 -0.463 1
1 41 . 12 1 1 A 4 4 SER CB C 13 63.663 63.578 0.085 1
1 42 . 12 1 1 A 4 4 SER N N 13 119.429 121.757 -2.328 1
1 43 . 12 1 1 A 5 5 GLN H H 14 8.299 8.634 -0.335 1
1 44 . 12 1 1 A 5 5 GLN HA H 14 4.332 4.123 0.209 1
1 49 . 12 1 1 A 5 5 GLN C C 14 175.152 175.781 -0.629 1
1 50 . 12 1 1 A 5 5 GLN CA C 14 56.164 58.862 -2.698 1
1 51 . 12 1 1 A 5 5 GLN CB C 14 29.724 29.221 0.503 1
1 53 . 12 1 1 A 5 5 GLN N N 14 123.721 123.961 -0.240 1
1 54 . 12 1 1 A 6 6 GLN H H 15 8.692 8.064 0.628 1
1 55 . 12 1 1 A 6 6 GLN HA H 15 4.343 4.808 -0.465 1
1 60 . 12 1 1 A 6 6 GLN C C 15 175.193 173.846 1.347 1
1 61 . 12 1 1 A 6 6 GLN CA C 15 56.539 54.982 1.557 1
1 62 . 12 1 1 A 6 6 GLN CB C 15 30.474 32.165 -1.691 1
1 64 . 12 1 1 A 6 6 GLN N N 15 124.240 116.946 7.294 1
1 65 . 12 1 1 A 7 7 ASN H H 16 8.291 8.766 -0.475 1
1 66 . 12 1 1 A 7 7 ASN HA H 16 5.049 5.538 -0.489 1
1 69 . 12 1 1 A 7 7 ASN C C 16 175.141 174.125 1.016 1
1 70 . 12 1 1 A 7 7 ASN CA C 16 52.224 52.113 0.111 1
1 71 . 12 1 1 A 7 7 ASN CB C 16 40.600 39.662 0.938 1
1 72 . 12 1 1 A 7 7 ASN N N 16 116.809 121.645 -4.836 1
1 73 . 12 1 1 A 8 8 CYS H H 17 8.737 8.984 -0.247 1
1 74 . 12 1 1 A 8 8 CYS HA H 17 4.584 4.614 -0.030 1
1 77 . 12 1 1 A 8 8 CYS CA C 17 56.164 56.491 -0.327 1
1 78 . 12 1 1 A 8 8 CYS CB C 17 31.976 29.002 2.974 1
1 79 . 12 1 1 A 8 8 CYS N N 17 127.386 122.797 4.589 1
1 80 . 12 1 1 A 9 9 PRO HA H 18 4.457 4.505 -0.048 1
1 87 . 12 1 1 A 9 9 PRO C C 18 175.922 178.056 -2.134 1
1 88 . 12 1 1 A 9 9 PRO CA C 18 63.663 64.096 -0.433 1
1 89 . 12 1 1 A 9 9 PRO CB C 18 32.913 31.902 1.011 1
1 92 . 12 1 1 A 10 10 ILE H H 19 8.471 8.197 0.274 1
1 93 . 12 1 1 A 10 10 ILE HA H 19 4.171 3.969 0.202 1
1 103 . 12 1 1 A 10 10 ILE C C 19 175.891 177.273 -1.382 1
1 104 . 12 1 1 A 10 10 ILE CA C 19 62.350 63.645 -1.295 1
1 105 . 12 1 1 A 10 10 ILE CB C 19 37.226 38.025 -0.799 1
1 109 . 12 1 1 A 10 10 ILE N N 19 121.858 116.241 5.617 1
1 110 . 12 1 1 A 11 11 CYS H H 20 7.443 7.793 -0.350 1
1 111 . 12 1 1 A 11 11 CYS HA H 20 4.841 4.638 0.203 1
1 114 . 12 1 1 A 11 11 CYS C C 20 175.683 174.611 1.072 1
1 115 . 12 1 1 A 11 11 CYS CA C 20 57.851 58.408 -0.557 1
1 116 . 12 1 1 A 11 11 CYS CB C 20 31.601 29.069 2.532 1
1 117 . 12 1 1 A 11 11 CYS N N 20 115.827 116.645 -0.818 1
1 118 . 12 1 1 A 12 12 LEU H H 21 7.940 7.680 0.260 1
1 119 . 12 1 1 A 12 12 LEU HA H 21 4.241 4.222 0.019 1
1 129 . 12 1 1 A 12 12 LEU C C 21 176.286 175.284 1.002 1
1 130 . 12 1 1 A 12 12 LEU CA C 21 56.726 55.698 1.028 1
1 131 . 12 1 1 A 12 12 LEU CB C 21 38.163 40.763 -2.600 1
1 135 . 12 1 1 A 12 12 LEU N N 21 118.743 117.692 1.051 1
1 136 . 12 1 1 A 13 13 GLU H H 22 8.545 7.575 0.970 1
1 137 . 12 1 1 A 13 13 GLU HA H 22 4.700 4.864 -0.164 1
1 142 . 12 1 1 A 13 13 GLU C C 22 176.910 174.823 2.087 1
1 143 . 12 1 1 A 13 13 GLU CA C 22 55.224 54.513 0.711 1
1 144 . 12 1 1 A 13 13 GLU CB C 22 31.414 34.054 -2.640 1
1 146 . 12 1 1 A 13 13 GLU N N 22 119.659 118.328 1.331 1
1 147 . 12 1 1 A 14 14 ASP H H 23 8.705 8.662 0.043 1
1 148 . 12 1 1 A 14 14 ASP HA H 23 4.732 4.774 -0.042 1
1 151 . 12 1 1 A 14 14 ASP C C 23 177.077 175.236 1.841 1
1 152 . 12 1 1 A 14 14 ASP CA C 23 55.414 54.623 0.791 1
1 153 . 12 1 1 A 14 14 ASP CB C 23 42.288 41.899 0.389 1
1 154 . 12 1 1 A 14 14 ASP N N 23 121.813 122.802 -0.989 1
1 155 . 12 1 1 A 15 15 ILE H H 24 8.603 8.651 -0.048 1
1 156 . 12 1 1 A 15 15 ILE HA H 24 4.173 4.803 -0.630 1
1 166 . 12 1 1 A 15 15 ILE C C 24 174.920 175.354 -0.434 1
1 167 . 12 1 1 A 15 15 ILE CA C 24 59.726 60.264 -0.538 1
1 168 . 12 1 1 A 15 15 ILE CB C 24 40.413 42.074 -1.661 1
1 172 . 12 1 1 A 15 15 ILE N N 24 123.686 125.789 -2.103 1
1 173 . 12 1 1 A 16 16 HIS H H 25 8.581 8.228 0.353 1
1 174 . 12 1 1 A 16 16 HIS HA H 25 4.685 5.516 -0.831 1
1 178 . 12 1 1 A 16 16 HIS C C 25 176.609 176.466 0.143 1
1 179 . 12 1 1 A 16 16 HIS CA C 25 56.913 53.382 3.531 1
1 180 . 12 1 1 A 16 16 HIS CB C 25 30.474 32.904 -2.430 1
1 182 . 12 1 1 A 16 16 HIS N N 25 123.042 122.488 0.554 1
1 183 . 12 1 1 A 17 17 THR H H 26 8.241 9.314 -1.073 1
1 184 . 12 1 1 A 17 17 THR HA H 26 4.303 4.106 0.197 1
1 189 . 12 1 1 A 17 17 THR C C 26 175.037 175.332 -0.295 1
1 190 . 12 1 1 A 17 17 THR CA C 26 62.913 65.594 -2.681 1
1 191 . 12 1 1 A 17 17 THR CB C 26 68.912 68.775 0.137 1
1 193 . 12 1 1 A 17 17 THR N N 26 114.128 116.855 -2.727 1
1 194 . 12 1 1 A 18 18 SER H H 27 8.160 7.690 0.470 1
1 195 . 12 1 1 A 18 18 SER HA H 27 4.514 4.288 0.226 1
1 198 . 12 1 1 A 18 18 SER C C 27 175.058 174.527 0.531 1
1 199 . 12 1 1 A 18 18 SER CA C 27 58.413 60.641 -2.228 1
1 200 . 12 1 1 A 18 18 SER CB C 27 63.100 63.492 -0.392 1
1 201 . 12 1 1 A 18 18 SER N N 27 116.330 117.685 -1.355 1
1 202 . 12 1 1 A 19 19 ARG H H 28 8.200 8.829 -0.629 1
1 203 . 12 1 1 A 19 19 ARG HA H 28 4.233 3.997 0.236 1
1 210 . 12 1 1 A 19 19 ARG C C 28 176.463 177.918 -1.455 1
1 211 . 12 1 1 A 19 19 ARG CA C 28 57.293 58.453 -1.160 1
1 212 . 12 1 1 A 19 19 ARG CB C 28 30.474 30.009 0.465 1
1 215 . 12 1 1 A 19 19 ARG N N 28 121.067 127.795 -6.728 1
1 216 . 12 1 1 A 20 20 VAL H H 29 7.789 7.859 -0.070 1
1 217 . 12 1 1 A 20 20 VAL HA H 29 4.294 3.698 0.596 1
1 225 . 12 1 1 A 20 20 VAL C C 29 175.599 177.167 -1.568 1
1 226 . 12 1 1 A 20 20 VAL CA C 29 61.601 65.329 -3.728 1
1 227 . 12 1 1 A 20 20 VAL CB C 29 33.476 31.429 2.047 1
1 229 . 12 1 1 A 20 20 VAL N N 29 117.329 120.107 -2.778 1
1 230 . 12 1 1 A 21 21 VAL H H 30 8.068 7.359 0.709 1
1 231 . 12 1 1 A 21 21 VAL HA H 30 4.253 4.056 0.197 1
1 239 . 12 1 1 A 21 21 VAL C C 30 175.589 176.277 -0.688 1
1 240 . 12 1 1 A 21 21 VAL CA C 30 62.163 64.377 -2.214 1
1 241 . 12 1 1 A 21 21 VAL CB C 30 32.164 33.232 -1.068 1
1 244 . 12 1 1 A 21 21 VAL N N 30 121.049 118.206 2.843 1
1 245 . 12 1 1 A 22 22 ALA H H 31 8.303 7.626 0.677 1
1 246 . 12 1 1 A 22 22 ALA HA H 31 4.609 4.460 0.149 1
1 250 . 12 1 1 A 22 22 ALA C C 31 176.307 176.934 -0.627 1
1 251 . 12 1 1 A 22 22 ALA CA C 31 51.662 51.075 0.587 1
1 252 . 12 1 1 A 22 22 ALA CB C 31 20.725 19.643 1.082 1
1 253 . 12 1 1 A 22 22 ALA N N 31 127.856 123.094 4.762 1
1 254 . 12 1 1 A 23 23 HIS H H 32 9.100 8.983 0.117 1
1 255 . 12 1 1 A 23 23 HIS HA H 32 4.488 4.489 -0.001 1
1 259 . 12 1 1 A 23 23 HIS C C 32 173.154 174.104 -0.950 1
1 260 . 12 1 1 A 23 23 HIS CA C 32 56.164 57.683 -1.519 1
1 261 . 12 1 1 A 23 23 HIS CB C 32 33.476 30.388 3.088 1
1 263 . 12 1 1 A 23 23 HIS N N 32 121.613 125.355 -3.742 1
1 264 . 12 1 1 A 24 24 VAL H H 33 7.498 8.314 -0.816 1
1 265 . 12 1 1 A 24 24 VAL HA H 33 4.130 4.675 -0.545 1
1 273 . 12 1 1 A 24 24 VAL C C 33 175.859 175.604 0.255 1
1 274 . 12 1 1 A 24 24 VAL CA C 33 61.038 60.673 0.365 1
1 275 . 12 1 1 A 24 24 VAL CB C 33 31.976 33.721 -1.745 1
1 278 . 12 1 1 A 24 24 VAL N N 33 126.760 126.150 0.610 1
1 279 . 12 1 1 A 25 25 LEU H H 34 8.426 9.132 -0.706 1
1 280 . 12 1 1 A 25 25 LEU HA H 34 4.461 4.682 -0.221 1
1 290 . 12 1 1 A 25 25 LEU CA C 34 54.661 53.210 1.451 1
1 291 . 12 1 1 A 25 25 LEU CB C 34 43.787 41.653 2.134 1
1 295 . 12 1 1 A 25 25 LEU N N 34 127.479 128.655 -1.176 1
1 296 . 12 1 1 A 26 26 PRO HA H 35 4.302 4.327 -0.025 1
1 303 . 12 1 1 A 26 26 PRO C C 35 176.494 177.330 -0.836 1
1 304 . 12 1 1 A 26 26 PRO CA C 35 65.350 64.554 0.796 1
1 305 . 12 1 1 A 26 26 PRO CB C 35 31.789 31.896 -0.107 1
1 308 . 12 1 1 A 27 27 CYS H H 36 7.266 7.686 -0.420 1
1 309 . 12 1 1 A 27 27 CYS HA H 36 4.407 4.479 -0.072 1
1 312 . 12 1 1 A 27 27 CYS C C 36 176.016 174.652 1.364 1
1 313 . 12 1 1 A 27 27 CYS CA C 36 56.726 58.580 -1.854 1
1 314 . 12 1 1 A 27 27 CYS CB C 36 31.601 27.770 3.831 1
1 315 . 12 1 1 A 27 27 CYS N N 36 111.241 116.077 -4.836 1
1 316 . 12 1 1 A 28 28 GLY H H 37 8.211 8.231 -0.020 1
1 317 . 12 1 1 A 28 28 GLY HA2 H 37 4.122 3.753 0.369 1
1 318 . 12 1 1 A 28 28 GLY HA3 H 37 3.329 3.810 -0.481 1
1 319 . 12 1 1 A 28 28 GLY C C 37 173.903 174.362 -0.459 1
1 320 . 12 1 1 A 28 28 GLY CA C 37 44.725 45.687 -0.962 1
1 321 . 12 1 1 A 28 28 GLY N N 37 111.309 109.717 1.592 1
1 322 . 12 1 1 A 29 29 HIS H H 38 8.109 7.586 0.523 1
1 323 . 12 1 1 A 29 29 HIS HA H 38 4.622 4.664 -0.042 1
1 327 . 12 1 1 A 29 29 HIS C C 38 173.029 174.448 -1.419 1
1 328 . 12 1 1 A 29 29 HIS CA C 38 59.351 55.783 3.568 1
1 329 . 12 1 1 A 29 29 HIS CB C 38 31.224 32.212 -0.988 1
1 331 . 12 1 1 A 29 29 HIS N N 38 121.624 118.041 3.583 1
1 332 . 12 1 1 A 30 30 LEU H H 39 8.923 8.661 0.262 1
1 333 . 12 1 1 A 30 30 LEU HA H 39 5.112 5.341 -0.229 1
1 343 . 12 1 1 A 30 30 LEU C C 39 176.380 175.566 0.814 1
1 344 . 12 1 1 A 30 30 LEU CA C 39 54.474 53.462 1.012 1
1 345 . 12 1 1 A 30 30 LEU CB C 39 45.662 44.759 0.903 1
1 349 . 12 1 1 A 30 30 LEU N N 39 120.785 121.178 -0.393 1
1 350 . 12 1 1 A 31 31 LEU H H 40 8.586 8.971 -0.385 1
1 351 . 12 1 1 A 31 31 LEU HA H 40 5.144 4.681 0.463 1
1 361 . 12 1 1 A 31 31 LEU C C 40 177.701 175.501 2.200 1
1 362 . 12 1 1 A 31 31 LEU CA C 40 53.161 53.691 -0.530 1
1 363 . 12 1 1 A 31 31 LEU CB C 40 47.350 45.011 2.339 1
1 366 . 12 1 1 A 31 31 LEU N N 40 117.837 120.888 -3.051 1
1 367 . 12 1 1 A 32 32 HIS H H 41 7.726 7.659 0.067 1
1 368 . 12 1 1 A 32 32 HIS HA H 41 4.693 4.767 -0.074 1
1 372 . 12 1 1 A 32 32 HIS C C 41 176.994 176.293 0.701 1
1 373 . 12 1 1 A 32 32 HIS CA C 41 59.913 55.006 4.907 1
1 374 . 12 1 1 A 32 32 HIS CB C 41 31.036 31.526 -0.490 1
1 376 . 12 1 1 A 32 32 HIS N N 41 118.242 116.418 1.824 1
1 377 . 12 1 1 A 33 33 ARG H H 42 9.564 9.087 0.477 1
1 378 . 12 1 1 A 33 33 ARG HA H 42 4.055 3.869 0.186 1
1 385 . 12 1 1 A 33 33 ARG C C 42 178.388 178.488 -0.100 1
1 386 . 12 1 1 A 33 33 ARG CA C 42 60.476 60.185 0.291 1
1 387 . 12 1 1 A 33 33 ARG CB C 42 29.536 30.154 -0.618 1
1 390 . 12 1 1 A 33 33 ARG N N 42 124.900 120.120 4.780 1
1 391 . 12 1 1 A 34 34 THR H H 43 8.386 8.425 -0.039 1
1 392 . 12 1 1 A 34 34 THR HA H 43 4.101 3.927 0.174 1
1 397 . 12 1 1 A 34 34 THR C C 43 177.285 176.827 0.458 1
1 398 . 12 1 1 A 34 34 THR CA C 43 64.788 66.909 -2.121 1
1 399 . 12 1 1 A 34 34 THR CB C 43 67.787 68.502 -0.715 1
1 401 . 12 1 1 A 34 34 THR N N 43 109.798 114.840 -5.042 1
1 402 . 12 1 1 A 35 35 CYS H H 44 6.825 8.292 -1.467 1
1 403 . 12 1 1 A 35 35 CYS HA H 44 4.066 4.377 -0.311 1
1 406 . 12 1 1 A 35 35 CYS C C 44 176.671 176.993 -0.322 1
1 407 . 12 1 1 A 35 35 CYS CA C 44 63.100 62.827 0.273 1
1 408 . 12 1 1 A 35 35 CYS CB C 44 28.787 27.022 1.765 1
1 409 . 12 1 1 A 35 35 CYS N N 44 123.057 118.425 4.632 1
1 410 . 12 1 1 A 36 36 TYR H H 45 8.484 8.182 0.302 1
1 411 . 12 1 1 A 36 36 TYR HA H 45 4.200 3.944 0.256 1
1 418 . 12 1 1 A 36 36 TYR C C 45 176.140 177.817 -1.677 1
1 419 . 12 1 1 A 36 36 TYR CA C 45 60.101 61.391 -1.290 1
1 420 . 12 1 1 A 36 36 TYR CB C 45 37.601 38.346 -0.745 1
1 423 . 12 1 1 A 36 36 TYR N N 45 119.972 123.087 -3.115 1
1 424 . 12 1 1 A 37 37 GLU H H 46 7.925 8.064 -0.139 1
1 425 . 12 1 1 A 37 37 GLU HA H 46 3.546 3.823 -0.277 1
1 430 . 12 1 1 A 37 37 GLU C C 46 179.574 178.826 0.748 1
1 431 . 12 1 1 A 37 37 GLU CA C 46 59.351 59.706 -0.355 1
1 432 . 12 1 1 A 37 37 GLU CB C 46 28.787 29.174 -0.387 1
1 434 . 12 1 1 A 37 37 GLU N N 46 117.277 118.654 -1.377 1
1 435 . 12 1 1 A 38 38 GLU H H 47 7.598 8.368 -0.770 1
1 436 . 12 1 1 A 38 38 GLU HA H 47 4.041 4.059 -0.018 1
1 441 . 12 1 1 A 38 38 GLU C C 47 177.743 178.818 -1.075 1
1 442 . 12 1 1 A 38 38 GLU CA C 47 58.788 59.155 -0.367 1
1 443 . 12 1 1 A 38 38 GLU CB C 47 29.349 29.242 0.107 1
1 445 . 12 1 1 A 38 38 GLU N N 47 119.258 120.770 -1.512 1
1 446 . 12 1 1 A 39 39 MET H H 48 7.918 7.982 -0.064 1
1 447 . 12 1 1 A 39 39 MET HA H 48 3.612 4.245 -0.633 1
1 452 . 12 1 1 A 39 39 MET C C 48 178.232 178.395 -0.163 1
1 453 . 12 1 1 A 39 39 MET CA C 48 58.226 58.349 -0.123 1
1 454 . 12 1 1 A 39 39 MET CB C 48 32.351 32.067 0.284 1
1 456 . 12 1 1 A 39 39 MET N N 48 120.952 119.431 1.521 1
1 457 . 12 1 1 A 40 40 LEU H H 49 8.042 7.802 0.240 1
1 458 . 12 1 1 A 40 40 LEU HA H 49 3.867 3.871 -0.004 1
1 468 . 12 1 1 A 40 40 LEU C C 49 179.543 178.337 1.206 1
1 469 . 12 1 1 A 40 40 LEU CA C 49 56.726 57.550 -0.824 1
1 470 . 12 1 1 A 40 40 LEU CB C 49 41.913 41.058 0.855 1
1 474 . 12 1 1 A 40 40 LEU N N 49 119.191 121.089 -1.898 1
1 475 . 12 1 1 A 41 41 LYS H H 50 7.604 8.202 -0.598 1
1 476 . 12 1 1 A 41 41 LYS HA H 50 3.957 3.857 0.100 1
1 485 . 12 1 1 A 41 41 LYS C C 50 178.305 179.141 -0.836 1
1 486 . 12 1 1 A 41 41 LYS CA C 50 58.788 59.432 -0.644 1
1 487 . 12 1 1 A 41 41 LYS CB C 50 32.726 32.064 0.662 1
1 491 . 12 1 1 A 41 41 LYS N N 50 119.815 119.395 0.420 1
1 492 . 12 1 1 A 42 42 GLU H H 51 7.972 7.830 0.142 1
1 493 . 12 1 1 A 42 42 GLU HA H 51 4.238 4.140 0.098 1
1 498 . 12 1 1 A 42 42 GLU C C 51 177.837 177.662 0.175 1
1 499 . 12 1 1 A 42 42 GLU CA C 51 56.913 57.703 -0.790 1
1 500 . 12 1 1 A 42 42 GLU CB C 51 30.660 29.851 0.809 1
1 502 . 12 1 1 A 42 42 GLU N N 51 116.691 117.073 -0.382 1
1 503 . 12 1 1 A 43 43 GLY H H 52 8.022 8.284 -0.262 1
1 504 . 12 1 1 A 43 43 GLY HA2 H 52 4.051 3.869 0.182 1
1 505 . 12 1 1 A 43 43 GLY HA3 H 52 3.778 3.936 -0.158 1
1 506 . 12 1 1 A 43 43 GLY C C 52 174.278 174.111 0.167 1
1 507 . 12 1 1 A 43 43 GLY CA C 52 46.037 46.292 -0.255 1
1 508 . 12 1 1 A 43 43 GLY N N 52 108.181 107.965 0.216 1
1 509 . 12 1 1 A 44 44 TYR H H 53 7.184 7.682 -0.498 1
1 510 . 12 1 1 A 44 44 TYR HA H 53 4.787 4.612 0.175 1
1 517 . 12 1 1 A 44 44 TYR C C 53 174.725 175.245 -0.520 1
1 518 . 12 1 1 A 44 44 TYR CA C 53 55.976 57.264 -1.288 1
1 519 . 12 1 1 A 44 44 TYR CB C 53 38.913 39.907 -0.994 1
1 522 . 12 1 1 A 44 44 TYR N N 53 117.550 118.802 -1.252 1
1 523 . 12 1 1 A 45 45 ARG H H 54 7.969 8.478 -0.509 1
1 524 . 12 1 1 A 45 45 ARG HA H 54 4.412 4.316 0.096 1
1 531 . 12 1 1 A 45 45 ARG C C 54 174.902 176.033 -1.131 1
1 532 . 12 1 1 A 45 45 ARG CA C 54 54.849 56.964 -2.115 1
1 533 . 12 1 1 A 45 45 ARG CB C 54 32.164 30.357 1.807 1
1 536 . 12 1 1 A 45 45 ARG N N 54 120.614 119.784 0.830 1
1 537 . 12 1 1 A 46 46 CYS H H 55 8.579 8.605 -0.026 1
1 538 . 12 1 1 A 46 46 CYS HA H 55 4.236 4.371 -0.135 1
1 541 . 12 1 1 A 46 46 CYS CA C 55 57.477 57.850 -0.373 1
1 542 . 12 1 1 A 46 46 CYS CB C 55 30.849 27.589 3.260 1
1 543 . 12 1 1 A 46 46 CYS N N 55 123.189 123.959 -0.770 1
1 544 . 12 1 1 A 47 47 PRO HA H 56 4.459 4.410 0.049 1
1 551 . 12 1 1 A 47 47 PRO C C 56 178.242 177.954 0.288 1
1 552 . 12 1 1 A 47 47 PRO CA C 56 64.225 64.383 -0.158 1
1 553 . 12 1 1 A 47 47 PRO CB C 56 32.913 31.945 0.968 1
1 556 . 12 1 1 A 48 48 LEU H H 57 8.285 7.471 0.814 1
1 557 . 12 1 1 A 48 48 LEU HA H 57 4.191 4.003 0.188 1
1 567 . 12 1 1 A 48 48 LEU C C 57 178.783 178.676 0.107 1
1 568 . 12 1 1 A 48 48 LEU CA C 57 55.789 56.445 -0.656 1
1 569 . 12 1 1 A 48 48 LEU CB C 57 41.163 40.783 0.380 1
1 573 . 12 1 1 A 48 48 LEU N N 57 119.589 116.669 2.920 1
1 574 . 12 1 1 A 49 49 CYS H H 58 7.949 7.959 -0.010 1
1 575 . 12 1 1 A 49 49 CYS HA H 58 4.281 4.510 -0.229 1
1 578 . 12 1 1 A 49 49 CYS C C 58 176.088 177.077 -0.989 1
1 579 . 12 1 1 A 49 49 CYS CA C 58 63.475 62.206 1.269 1
1 580 . 12 1 1 A 49 49 CYS CB C 58 30.099 26.620 3.479 1
1 581 . 12 1 1 A 49 49 CYS N N 58 123.132 117.963 5.169 1
1 582 . 12 1 1 A 50 50 MET H H 59 7.717 7.782 -0.065 1
1 583 . 12 1 1 A 50 50 MET HA H 59 4.332 4.249 0.083 1
1 588 . 12 1 1 A 50 50 MET C C 59 175.870 176.701 -0.831 1
1 589 . 12 1 1 A 50 50 MET CA C 59 55.601 58.379 -2.778 1
1 590 . 12 1 1 A 50 50 MET CB C 59 32.164 32.687 -0.523 1
1 592 . 12 1 1 A 50 50 MET N N 59 118.057 120.143 -2.086 1
1 593 . 12 1 1 A 51 51 HIS H H 60 7.965 7.738 0.227 1
1 594 . 12 1 1 A 51 51 HIS HA H 60 4.709 4.472 0.237 1
1 598 . 12 1 1 A 51 51 HIS C C 60 174.267 174.662 -0.395 1
1 599 . 12 1 1 A 51 51 HIS CA C 60 55.601 57.239 -1.638 1
1 600 . 12 1 1 A 51 51 HIS CB C 60 30.661 30.761 -0.100 1
1 602 . 12 1 1 A 51 51 HIS N N 60 119.437 117.549 1.888 1
1 12 . 13 1 1 A 2 2 ASN H H 11 8.476 8.697 -0.221 1
1 13 . 13 1 1 A 2 2 ASN HA H 11 4.704 5.219 -0.515 1
1 16 . 13 1 1 A 2 2 ASN C C 11 175.058 174.984 0.074 1
1 17 . 13 1 1 A 2 2 ASN CA C 11 53.375 52.677 0.698 1
1 18 . 13 1 1 A 2 2 ASN CB C 11 38.913 39.106 -0.193 1
1 19 . 13 1 1 A 2 2 ASN N N 11 119.245 126.018 -6.773 1
1 20 . 13 1 1 A 3 3 VAL H H 12 8.023 7.436 0.587 1
1 21 . 13 1 1 A 3 3 VAL HA H 12 4.171 4.316 -0.145 1
1 29 . 13 1 1 A 3 3 VAL C C 12 176.120 175.872 0.248 1
1 30 . 13 1 1 A 3 3 VAL CA C 12 61.975 62.808 -0.833 1
1 31 . 13 1 1 A 3 3 VAL CB C 12 32.913 30.059 2.854 1
1 34 . 13 1 1 A 3 3 VAL N N 12 119.852 120.567 -0.715 1
1 35 . 13 1 1 A 4 4 SER H H 13 8.384 8.532 -0.148 1
1 36 . 13 1 1 A 4 4 SER HA H 13 4.452 4.592 -0.140 1
1 39 . 13 1 1 A 4 4 SER C C 13 174.153 174.795 -0.642 1
1 40 . 13 1 1 A 4 4 SER CA C 13 58.226 59.566 -1.340 1
1 41 . 13 1 1 A 4 4 SER CB C 13 63.663 64.162 -0.499 1
1 42 . 13 1 1 A 4 4 SER N N 13 119.429 123.088 -3.659 1
1 43 . 13 1 1 A 5 5 GLN H H 14 8.299 7.787 0.512 1
1 44 . 13 1 1 A 5 5 GLN HA H 14 4.332 4.474 -0.142 1
1 49 . 13 1 1 A 5 5 GLN C C 14 175.152 175.515 -0.363 1
1 50 . 13 1 1 A 5 5 GLN CA C 14 56.164 55.081 1.083 1
1 51 . 13 1 1 A 5 5 GLN CB C 14 29.724 28.728 0.996 1
1 53 . 13 1 1 A 5 5 GLN N N 14 123.721 120.301 3.420 1
1 54 . 13 1 1 A 6 6 GLN H H 15 8.692 8.712 -0.020 1
1 55 . 13 1 1 A 6 6 GLN HA H 15 4.343 4.206 0.137 1
1 60 . 13 1 1 A 6 6 GLN C C 15 175.193 175.360 -0.167 1
1 61 . 13 1 1 A 6 6 GLN CA C 15 56.539 56.225 0.314 1
1 62 . 13 1 1 A 6 6 GLN CB C 15 30.474 29.293 1.181 1
1 64 . 13 1 1 A 6 6 GLN N N 15 124.240 126.180 -1.940 1
1 65 . 13 1 1 A 7 7 ASN H H 16 8.291 8.331 -0.040 1
1 66 . 13 1 1 A 7 7 ASN HA H 16 5.049 4.765 0.284 1
1 69 . 13 1 1 A 7 7 ASN C C 16 175.141 174.684 0.457 1
1 70 . 13 1 1 A 7 7 ASN CA C 16 52.224 52.888 -0.664 1
1 71 . 13 1 1 A 7 7 ASN CB C 16 40.600 39.392 1.208 1
1 72 . 13 1 1 A 7 7 ASN N N 16 116.809 124.326 -7.517 1
1 73 . 13 1 1 A 8 8 CYS H H 17 8.737 8.988 -0.251 1
1 74 . 13 1 1 A 8 8 CYS HA H 17 4.584 4.604 -0.020 1
1 77 . 13 1 1 A 8 8 CYS CA C 17 56.164 56.614 -0.450 1
1 78 . 13 1 1 A 8 8 CYS CB C 17 31.976 28.984 2.992 1
1 79 . 13 1 1 A 8 8 CYS N N 17 127.386 121.853 5.533 1
1 80 . 13 1 1 A 9 9 PRO HA H 18 4.457 4.327 0.130 1
1 87 . 13 1 1 A 9 9 PRO C C 18 175.922 178.742 -2.820 1
1 88 . 13 1 1 A 9 9 PRO CA C 18 63.663 64.996 -1.333 1
1 89 . 13 1 1 A 9 9 PRO CB C 18 32.913 32.164 0.749 1
1 92 . 13 1 1 A 10 10 ILE H H 19 8.471 8.218 0.253 1
1 93 . 13 1 1 A 10 10 ILE HA H 19 4.171 3.979 0.192 1
1 103 . 13 1 1 A 10 10 ILE C C 19 175.891 177.203 -1.312 1
1 104 . 13 1 1 A 10 10 ILE CA C 19 62.350 63.727 -1.377 1
1 105 . 13 1 1 A 10 10 ILE CB C 19 37.226 37.855 -0.629 1
1 109 . 13 1 1 A 10 10 ILE N N 19 121.858 116.035 5.823 1
1 110 . 13 1 1 A 11 11 CYS H H 20 7.443 7.396 0.047 1
1 111 . 13 1 1 A 11 11 CYS HA H 20 4.841 4.670 0.171 1
1 114 . 13 1 1 A 11 11 CYS C C 20 175.683 174.743 0.940 1
1 115 . 13 1 1 A 11 11 CYS CA C 20 57.851 58.375 -0.524 1
1 116 . 13 1 1 A 11 11 CYS CB C 20 31.601 29.251 2.350 1
1 117 . 13 1 1 A 11 11 CYS N N 20 115.827 116.594 -0.767 1
1 118 . 13 1 1 A 12 12 LEU H H 21 7.940 7.843 0.097 1
1 119 . 13 1 1 A 12 12 LEU HA H 21 4.241 4.073 0.168 1
1 129 . 13 1 1 A 12 12 LEU C C 21 176.286 175.308 0.978 1
1 130 . 13 1 1 A 12 12 LEU CA C 21 56.726 56.105 0.621 1
1 131 . 13 1 1 A 12 12 LEU CB C 21 38.163 40.375 -2.212 1
1 135 . 13 1 1 A 12 12 LEU N N 21 118.743 117.817 0.926 1
1 136 . 13 1 1 A 13 13 GLU H H 22 8.545 7.564 0.981 1
1 137 . 13 1 1 A 13 13 GLU HA H 22 4.700 4.971 -0.271 1
1 142 . 13 1 1 A 13 13 GLU C C 22 176.910 174.647 2.263 1
1 143 . 13 1 1 A 13 13 GLU CA C 22 55.224 54.122 1.102 1
1 144 . 13 1 1 A 13 13 GLU CB C 22 31.414 33.837 -2.423 1
1 146 . 13 1 1 A 13 13 GLU N N 22 119.659 117.266 2.393 1
1 147 . 13 1 1 A 14 14 ASP H H 23 8.705 8.642 0.063 1
1 148 . 13 1 1 A 14 14 ASP HA H 23 4.732 4.908 -0.176 1
1 151 . 13 1 1 A 14 14 ASP C C 23 177.077 175.355 1.722 1
1 152 . 13 1 1 A 14 14 ASP CA C 23 55.414 54.389 1.025 1
1 153 . 13 1 1 A 14 14 ASP CB C 23 42.288 41.930 0.358 1
1 154 . 13 1 1 A 14 14 ASP N N 23 121.813 121.371 0.442 1
1 155 . 13 1 1 A 15 15 ILE H H 24 8.603 8.452 0.151 1
1 156 . 13 1 1 A 15 15 ILE HA H 24 4.173 5.003 -0.830 1
1 166 . 13 1 1 A 15 15 ILE C C 24 174.920 174.600 0.320 1
1 167 . 13 1 1 A 15 15 ILE CA C 24 59.726 60.129 -0.403 1
1 168 . 13 1 1 A 15 15 ILE CB C 24 40.413 42.180 -1.767 1
1 172 . 13 1 1 A 15 15 ILE N N 24 123.686 124.734 -1.048 1
1 173 . 13 1 1 A 16 16 HIS H H 25 8.581 8.920 -0.339 1
1 174 . 13 1 1 A 16 16 HIS HA H 25 4.685 4.988 -0.303 1
1 178 . 13 1 1 A 16 16 HIS C C 25 176.609 175.161 1.448 1
1 179 . 13 1 1 A 16 16 HIS CA C 25 56.913 54.321 2.592 1
1 180 . 13 1 1 A 16 16 HIS CB C 25 30.474 32.275 -1.801 1
1 182 . 13 1 1 A 16 16 HIS N N 25 123.042 124.898 -1.856 1
1 183 . 13 1 1 A 17 17 THR H H 26 8.241 8.084 0.157 1
1 184 . 13 1 1 A 17 17 THR HA H 26 4.303 4.006 0.297 1
1 189 . 13 1 1 A 17 17 THR C C 26 175.037 174.757 0.280 1
1 190 . 13 1 1 A 17 17 THR CA C 26 62.913 65.061 -2.148 1
1 191 . 13 1 1 A 17 17 THR CB C 26 68.912 68.777 0.135 1
1 193 . 13 1 1 A 17 17 THR N N 26 114.128 116.203 -2.075 1
1 194 . 13 1 1 A 18 18 SER H H 27 8.160 7.586 0.574 1
1 195 . 13 1 1 A 18 18 SER HA H 27 4.514 4.232 0.282 1
1 198 . 13 1 1 A 18 18 SER C C 27 175.058 175.677 -0.619 1
1 199 . 13 1 1 A 18 18 SER CA C 27 58.413 58.675 -0.262 1
1 200 . 13 1 1 A 18 18 SER CB C 27 63.100 63.657 -0.557 1
1 201 . 13 1 1 A 18 18 SER N N 27 116.330 115.220 1.110 1
1 202 . 13 1 1 A 19 19 ARG H H 28 8.200 8.953 -0.753 1
1 203 . 13 1 1 A 19 19 ARG HA H 28 4.233 4.369 -0.136 1
1 210 . 13 1 1 A 19 19 ARG C C 28 176.463 177.386 -0.923 1
1 211 . 13 1 1 A 19 19 ARG CA C 28 57.293 58.013 -0.720 1
1 212 . 13 1 1 A 19 19 ARG CB C 28 30.474 30.038 0.436 1
1 215 . 13 1 1 A 19 19 ARG N N 28 121.067 128.332 -7.265 1
1 216 . 13 1 1 A 20 20 VAL H H 29 7.789 7.240 0.549 1
1 217 . 13 1 1 A 20 20 VAL HA H 29 4.294 3.756 0.538 1
1 225 . 13 1 1 A 20 20 VAL C C 29 175.599 177.916 -2.317 1
1 226 . 13 1 1 A 20 20 VAL CA C 29 61.601 65.440 -3.839 1
1 227 . 13 1 1 A 20 20 VAL CB C 29 33.476 31.482 1.994 1
1 229 . 13 1 1 A 20 20 VAL N N 29 117.329 118.258 -0.929 1
1 230 . 13 1 1 A 21 21 VAL H H 30 8.068 7.317 0.751 1
1 231 . 13 1 1 A 21 21 VAL HA H 30 4.253 3.861 0.392 1
1 239 . 13 1 1 A 21 21 VAL C C 30 175.589 176.064 -0.475 1
1 240 . 13 1 1 A 21 21 VAL CA C 30 62.163 65.207 -3.044 1
1 241 . 13 1 1 A 21 21 VAL CB C 30 32.164 32.650 -0.486 1
1 244 . 13 1 1 A 21 21 VAL N N 30 121.049 118.323 2.726 1
1 245 . 13 1 1 A 22 22 ALA H H 31 8.303 7.942 0.361 1
1 246 . 13 1 1 A 22 22 ALA HA H 31 4.609 4.575 0.034 1
1 250 . 13 1 1 A 22 22 ALA C C 31 176.307 176.790 -0.483 1
1 251 . 13 1 1 A 22 22 ALA CA C 31 51.662 50.589 1.073 1
1 252 . 13 1 1 A 22 22 ALA CB C 31 20.725 20.391 0.334 1
1 253 . 13 1 1 A 22 22 ALA N N 31 127.856 122.208 5.648 1
1 254 . 13 1 1 A 23 23 HIS H H 32 9.100 8.924 0.176 1
1 255 . 13 1 1 A 23 23 HIS HA H 32 4.488 4.468 0.020 1
1 259 . 13 1 1 A 23 23 HIS C C 32 173.154 174.007 -0.853 1
1 260 . 13 1 1 A 23 23 HIS CA C 32 56.164 57.492 -1.328 1
1 261 . 13 1 1 A 23 23 HIS CB C 32 33.476 30.329 3.147 1
1 263 . 13 1 1 A 23 23 HIS N N 32 121.613 124.432 -2.819 1
1 264 . 13 1 1 A 24 24 VAL H H 33 7.498 8.258 -0.760 1
1 265 . 13 1 1 A 24 24 VAL HA H 33 4.130 4.792 -0.662 1
1 273 . 13 1 1 A 24 24 VAL C C 33 175.859 175.835 0.024 1
1 274 . 13 1 1 A 24 24 VAL CA C 33 61.038 61.415 -0.377 1
1 275 . 13 1 1 A 24 24 VAL CB C 33 31.976 32.583 -0.607 1
1 278 . 13 1 1 A 24 24 VAL N N 33 126.760 126.720 0.040 1
1 279 . 13 1 1 A 25 25 LEU H H 34 8.426 8.926 -0.500 1
1 280 . 13 1 1 A 25 25 LEU HA H 34 4.461 4.506 -0.045 1
1 290 . 13 1 1 A 25 25 LEU CA C 34 54.661 53.645 1.016 1
1 291 . 13 1 1 A 25 25 LEU CB C 34 43.787 41.266 2.521 1
1 295 . 13 1 1 A 25 25 LEU N N 34 127.479 130.240 -2.761 1
1 296 . 13 1 1 A 26 26 PRO HA H 35 4.302 4.419 -0.117 1
1 303 . 13 1 1 A 26 26 PRO C C 35 176.494 177.294 -0.800 1
1 304 . 13 1 1 A 26 26 PRO CA C 35 65.350 64.484 0.866 1
1 305 . 13 1 1 A 26 26 PRO CB C 35 31.789 31.829 -0.040 1
1 308 . 13 1 1 A 27 27 CYS H H 36 7.266 7.702 -0.436 1
1 309 . 13 1 1 A 27 27 CYS HA H 36 4.407 4.491 -0.084 1
1 312 . 13 1 1 A 27 27 CYS C C 36 176.016 174.676 1.340 1
1 313 . 13 1 1 A 27 27 CYS CA C 36 56.726 58.602 -1.876 1
1 314 . 13 1 1 A 27 27 CYS CB C 36 31.601 27.741 3.860 1
1 315 . 13 1 1 A 27 27 CYS N N 36 111.241 116.266 -5.025 1
1 316 . 13 1 1 A 28 28 GLY H H 37 8.211 8.348 -0.137 1
1 317 . 13 1 1 A 28 28 GLY HA2 H 37 4.122 3.759 0.363 1
1 318 . 13 1 1 A 28 28 GLY HA3 H 37 3.329 3.815 -0.486 1
1 319 . 13 1 1 A 28 28 GLY C C 37 173.903 174.408 -0.505 1
1 320 . 13 1 1 A 28 28 GLY CA C 37 44.725 45.767 -1.042 1
1 321 . 13 1 1 A 28 28 GLY N N 37 111.309 109.820 1.489 1
1 322 . 13 1 1 A 29 29 HIS H H 38 8.109 7.575 0.534 1
1 323 . 13 1 1 A 29 29 HIS HA H 38 4.622 4.711 -0.089 1
1 327 . 13 1 1 A 29 29 HIS C C 38 173.029 174.481 -1.452 1
1 328 . 13 1 1 A 29 29 HIS CA C 38 59.351 55.810 3.541 1
1 329 . 13 1 1 A 29 29 HIS CB C 38 31.224 32.127 -0.903 1
1 331 . 13 1 1 A 29 29 HIS N N 38 121.624 117.740 3.884 1
1 332 . 13 1 1 A 30 30 LEU H H 39 8.923 8.632 0.291 1
1 333 . 13 1 1 A 30 30 LEU HA H 39 5.112 5.273 -0.161 1
1 343 . 13 1 1 A 30 30 LEU C C 39 176.380 175.642 0.738 1
1 344 . 13 1 1 A 30 30 LEU CA C 39 54.474 53.517 0.957 1
1 345 . 13 1 1 A 30 30 LEU CB C 39 45.662 44.776 0.886 1
1 349 . 13 1 1 A 30 30 LEU N N 39 120.785 121.026 -0.241 1
1 350 . 13 1 1 A 31 31 LEU H H 40 8.586 8.536 0.050 1
1 351 . 13 1 1 A 31 31 LEU HA H 40 5.144 4.760 0.384 1
1 361 . 13 1 1 A 31 31 LEU C C 40 177.701 175.542 2.159 1
1 362 . 13 1 1 A 31 31 LEU CA C 40 53.161 53.872 -0.711 1
1 363 . 13 1 1 A 31 31 LEU CB C 40 47.350 45.171 2.179 1
1 366 . 13 1 1 A 31 31 LEU N N 40 117.837 120.252 -2.415 1
1 367 . 13 1 1 A 32 32 HIS H H 41 7.726 7.861 -0.135 1
1 368 . 13 1 1 A 32 32 HIS HA H 41 4.693 4.725 -0.032 1
1 372 . 13 1 1 A 32 32 HIS C C 41 176.994 176.246 0.748 1
1 373 . 13 1 1 A 32 32 HIS CA C 41 59.913 55.283 4.630 1
1 374 . 13 1 1 A 32 32 HIS CB C 41 31.036 31.528 -0.492 1
1 376 . 13 1 1 A 32 32 HIS N N 41 118.242 116.189 2.053 1
1 377 . 13 1 1 A 33 33 ARG H H 42 9.564 9.190 0.374 1
1 378 . 13 1 1 A 33 33 ARG HA H 42 4.055 3.976 0.079 1
1 385 . 13 1 1 A 33 33 ARG C C 42 178.388 178.524 -0.136 1
1 386 . 13 1 1 A 33 33 ARG CA C 42 60.476 60.103 0.373 1
1 387 . 13 1 1 A 33 33 ARG CB C 42 29.536 30.221 -0.685 1
1 390 . 13 1 1 A 33 33 ARG N N 42 124.900 120.403 4.497 1
1 391 . 13 1 1 A 34 34 THR H H 43 8.386 8.420 -0.034 1
1 392 . 13 1 1 A 34 34 THR HA H 43 4.101 3.942 0.159 1
1 397 . 13 1 1 A 34 34 THR C C 43 177.285 177.081 0.204 1
1 398 . 13 1 1 A 34 34 THR CA C 43 64.788 66.603 -1.815 1
1 399 . 13 1 1 A 34 34 THR CB C 43 67.787 68.163 -0.376 1
1 401 . 13 1 1 A 34 34 THR N N 43 109.798 114.355 -4.557 1
1 402 . 13 1 1 A 35 35 CYS H H 44 6.825 8.530 -1.705 1
1 403 . 13 1 1 A 35 35 CYS HA H 44 4.066 4.361 -0.295 1
1 406 . 13 1 1 A 35 35 CYS C C 44 176.671 177.288 -0.617 1
1 407 . 13 1 1 A 35 35 CYS CA C 44 63.100 63.102 -0.002 1
1 408 . 13 1 1 A 35 35 CYS CB C 44 28.787 27.375 1.412 1
1 409 . 13 1 1 A 35 35 CYS N N 44 123.057 118.288 4.769 1
1 410 . 13 1 1 A 36 36 TYR H H 45 8.484 8.361 0.123 1
1 411 . 13 1 1 A 36 36 TYR HA H 45 4.200 4.016 0.184 1
1 418 . 13 1 1 A 36 36 TYR C C 45 176.140 177.470 -1.330 1
1 419 . 13 1 1 A 36 36 TYR CA C 45 60.101 61.298 -1.197 1
1 420 . 13 1 1 A 36 36 TYR CB C 45 37.601 38.592 -0.991 1
1 423 . 13 1 1 A 36 36 TYR N N 45 119.972 122.947 -2.975 1
1 424 . 13 1 1 A 37 37 GLU H H 46 7.925 8.090 -0.165 1
1 425 . 13 1 1 A 37 37 GLU HA H 46 3.546 3.430 0.116 1
1 430 . 13 1 1 A 37 37 GLU C C 46 179.574 179.142 0.432 1
1 431 . 13 1 1 A 37 37 GLU CA C 46 59.351 59.377 -0.026 1
1 432 . 13 1 1 A 37 37 GLU CB C 46 28.787 28.995 -0.208 1
1 434 . 13 1 1 A 37 37 GLU N N 46 117.277 118.298 -1.021 1
1 435 . 13 1 1 A 38 38 GLU H H 47 7.598 8.086 -0.488 1
1 436 . 13 1 1 A 38 38 GLU HA H 47 4.041 4.002 0.039 1
1 441 . 13 1 1 A 38 38 GLU C C 47 177.743 179.153 -1.410 1
1 442 . 13 1 1 A 38 38 GLU CA C 47 58.788 59.303 -0.515 1
1 443 . 13 1 1 A 38 38 GLU CB C 47 29.349 29.106 0.243 1
1 445 . 13 1 1 A 38 38 GLU N N 47 119.258 120.345 -1.087 1
1 446 . 13 1 1 A 39 39 MET H H 48 7.918 7.739 0.179 1
1 447 . 13 1 1 A 39 39 MET HA H 48 3.612 4.438 -0.826 1
1 452 . 13 1 1 A 39 39 MET C C 48 178.232 178.645 -0.413 1
1 453 . 13 1 1 A 39 39 MET CA C 48 58.226 58.516 -0.290 1
1 454 . 13 1 1 A 39 39 MET CB C 48 32.351 32.250 0.101 1
1 456 . 13 1 1 A 39 39 MET N N 48 120.952 119.158 1.794 1
1 457 . 13 1 1 A 40 40 LEU H H 49 8.042 8.325 -0.283 1
1 458 . 13 1 1 A 40 40 LEU HA H 49 3.867 3.942 -0.075 1
1 468 . 13 1 1 A 40 40 LEU C C 49 179.543 178.962 0.581 1
1 469 . 13 1 1 A 40 40 LEU CA C 49 56.726 57.670 -0.944 1
1 470 . 13 1 1 A 40 40 LEU CB C 49 41.913 41.185 0.728 1
1 474 . 13 1 1 A 40 40 LEU N N 49 119.191 121.390 -2.199 1
1 475 . 13 1 1 A 41 41 LYS H H 50 7.604 8.185 -0.581 1
1 476 . 13 1 1 A 41 41 LYS HA H 50 3.957 3.884 0.073 1
1 485 . 13 1 1 A 41 41 LYS C C 50 178.305 178.455 -0.150 1
1 486 . 13 1 1 A 41 41 LYS CA C 50 58.788 59.835 -1.047 1
1 487 . 13 1 1 A 41 41 LYS CB C 50 32.726 32.258 0.468 1
1 491 . 13 1 1 A 41 41 LYS N N 50 119.815 119.611 0.204 1
1 492 . 13 1 1 A 42 42 GLU H H 51 7.972 7.785 0.187 1
1 493 . 13 1 1 A 42 42 GLU HA H 51 4.238 4.419 -0.181 1
1 498 . 13 1 1 A 42 42 GLU C C 51 177.837 177.652 0.185 1
1 499 . 13 1 1 A 42 42 GLU CA C 51 56.913 56.455 0.458 1
1 500 . 13 1 1 A 42 42 GLU CB C 51 30.660 30.973 -0.313 1
1 502 . 13 1 1 A 42 42 GLU N N 51 116.691 116.444 0.247 1
1 503 . 13 1 1 A 43 43 GLY H H 52 8.022 8.402 -0.380 1
1 504 . 13 1 1 A 43 43 GLY HA2 H 52 4.051 3.882 0.169 1
1 505 . 13 1 1 A 43 43 GLY HA3 H 52 3.778 3.929 -0.151 1
1 506 . 13 1 1 A 43 43 GLY C C 52 174.278 174.330 -0.052 1
1 507 . 13 1 1 A 43 43 GLY CA C 52 46.037 46.456 -0.419 1
1 508 . 13 1 1 A 43 43 GLY N N 52 108.181 108.635 -0.454 1
1 509 . 13 1 1 A 44 44 TYR H H 53 7.184 7.899 -0.715 1
1 510 . 13 1 1 A 44 44 TYR HA H 53 4.787 4.583 0.204 1
1 517 . 13 1 1 A 44 44 TYR C C 53 174.725 175.270 -0.545 1
1 518 . 13 1 1 A 44 44 TYR CA C 53 55.976 57.680 -1.704 1
1 519 . 13 1 1 A 44 44 TYR CB C 53 38.913 39.586 -0.673 1
1 522 . 13 1 1 A 44 44 TYR N N 53 117.550 119.119 -1.569 1
1 523 . 13 1 1 A 45 45 ARG H H 54 7.969 8.512 -0.543 1
1 524 . 13 1 1 A 45 45 ARG HA H 54 4.412 4.246 0.166 1
1 531 . 13 1 1 A 45 45 ARG C C 54 174.902 176.011 -1.109 1
1 532 . 13 1 1 A 45 45 ARG CA C 54 54.849 56.932 -2.083 1
1 533 . 13 1 1 A 45 45 ARG CB C 54 32.164 30.306 1.858 1
1 536 . 13 1 1 A 45 45 ARG N N 54 120.614 119.988 0.626 1
1 537 . 13 1 1 A 46 46 CYS H H 55 8.579 8.745 -0.166 1
1 538 . 13 1 1 A 46 46 CYS HA H 55 4.236 4.355 -0.119 1
1 541 . 13 1 1 A 46 46 CYS CA C 55 57.477 57.493 -0.016 1
1 542 . 13 1 1 A 46 46 CYS CB C 55 30.849 27.337 3.512 1
1 543 . 13 1 1 A 46 46 CYS N N 55 123.189 124.937 -1.748 1
1 544 . 13 1 1 A 47 47 PRO HA H 56 4.459 4.392 0.067 1
1 551 . 13 1 1 A 47 47 PRO C C 56 178.242 177.754 0.488 1
1 552 . 13 1 1 A 47 47 PRO CA C 56 64.225 64.299 -0.074 1
1 553 . 13 1 1 A 47 47 PRO CB C 56 32.913 31.863 1.050 1
1 556 . 13 1 1 A 48 48 LEU H H 57 8.285 7.487 0.798 1
1 557 . 13 1 1 A 48 48 LEU HA H 57 4.191 4.012 0.179 1
1 567 . 13 1 1 A 48 48 LEU C C 57 178.783 179.166 -0.383 1
1 568 . 13 1 1 A 48 48 LEU CA C 57 55.789 56.771 -0.982 1
1 569 . 13 1 1 A 48 48 LEU CB C 57 41.163 40.894 0.269 1
1 573 . 13 1 1 A 48 48 LEU N N 57 119.589 116.818 2.771 1
1 574 . 13 1 1 A 49 49 CYS H H 58 7.949 7.871 0.078 1
1 575 . 13 1 1 A 49 49 CYS HA H 58 4.281 4.338 -0.057 1
1 578 . 13 1 1 A 49 49 CYS C C 58 176.088 176.964 -0.876 1
1 579 . 13 1 1 A 49 49 CYS CA C 58 63.475 62.317 1.158 1
1 580 . 13 1 1 A 49 49 CYS CB C 58 30.099 26.828 3.271 1
1 581 . 13 1 1 A 49 49 CYS N N 58 123.132 118.407 4.725 1
1 582 . 13 1 1 A 50 50 MET H H 59 7.717 7.561 0.156 1
1 583 . 13 1 1 A 50 50 MET HA H 59 4.332 4.317 0.015 1
1 588 . 13 1 1 A 50 50 MET C C 59 175.870 175.802 0.068 1
1 589 . 13 1 1 A 50 50 MET CA C 59 55.601 58.265 -2.664 1
1 590 . 13 1 1 A 50 50 MET CB C 59 32.164 33.188 -1.024 1
1 592 . 13 1 1 A 50 50 MET N N 59 118.057 119.391 -1.334 1
1 593 . 13 1 1 A 51 51 HIS H H 60 7.965 7.800 0.165 1
1 594 . 13 1 1 A 51 51 HIS HA H 60 4.709 4.904 -0.195 1
1 598 . 13 1 1 A 51 51 HIS C C 60 174.267 173.430 0.837 1
1 599 . 13 1 1 A 51 51 HIS CA C 60 55.601 54.650 0.951 1
1 600 . 13 1 1 A 51 51 HIS CB C 60 30.661 32.995 -2.334 1
1 602 . 13 1 1 A 51 51 HIS N N 60 119.437 119.867 -0.430 1
1 12 . 14 1 1 A 2 2 ASN H H 11 8.476 7.693 0.783 1
1 13 . 14 1 1 A 2 2 ASN HA H 11 4.704 4.718 -0.014 1
1 16 . 14 1 1 A 2 2 ASN C C 11 175.058 175.444 -0.386 1
1 17 . 14 1 1 A 2 2 ASN CA C 11 53.375 53.594 -0.219 1
1 18 . 14 1 1 A 2 2 ASN CB C 11 38.913 39.123 -0.210 1
1 19 . 14 1 1 A 2 2 ASN N N 11 119.245 119.845 -0.600 1
1 20 . 14 1 1 A 3 3 VAL H H 12 8.023 8.843 -0.820 1
1 21 . 14 1 1 A 3 3 VAL HA H 12 4.171 4.817 -0.646 1
1 29 . 14 1 1 A 3 3 VAL C C 12 176.120 175.025 1.095 1
1 30 . 14 1 1 A 3 3 VAL CA C 12 61.975 59.078 2.897 1
1 31 . 14 1 1 A 3 3 VAL CB C 12 32.913 35.199 -2.286 1
1 34 . 14 1 1 A 3 3 VAL N N 12 119.852 117.296 2.556 1
1 35 . 14 1 1 A 4 4 SER H H 13 8.384 8.770 -0.386 1
1 36 . 14 1 1 A 4 4 SER HA H 13 4.452 4.682 -0.230 1
1 39 . 14 1 1 A 4 4 SER C C 13 174.153 173.880 0.273 1
1 40 . 14 1 1 A 4 4 SER CA C 13 58.226 57.410 0.816 1
1 41 . 14 1 1 A 4 4 SER CB C 13 63.663 63.744 -0.081 1
1 42 . 14 1 1 A 4 4 SER N N 13 119.429 117.680 1.749 1
1 43 . 14 1 1 A 5 5 GLN H H 14 8.299 7.590 0.709 1
1 44 . 14 1 1 A 5 5 GLN HA H 14 4.332 5.018 -0.686 1
1 49 . 14 1 1 A 5 5 GLN C C 14 175.152 175.214 -0.062 1
1 50 . 14 1 1 A 5 5 GLN CA C 14 56.164 53.669 2.495 1
1 51 . 14 1 1 A 5 5 GLN CB C 14 29.724 31.154 -1.430 1
1 53 . 14 1 1 A 5 5 GLN N N 14 123.721 118.850 4.871 1
1 54 . 14 1 1 A 6 6 GLN H H 15 8.692 8.545 0.147 1
1 55 . 14 1 1 A 6 6 GLN HA H 15 4.343 4.969 -0.626 1
1 60 . 14 1 1 A 6 6 GLN C C 15 175.193 175.094 0.099 1
1 61 . 14 1 1 A 6 6 GLN CA C 15 56.539 55.668 0.871 1
1 62 . 14 1 1 A 6 6 GLN CB C 15 30.474 30.844 -0.370 1
1 64 . 14 1 1 A 6 6 GLN N N 15 124.240 120.181 4.059 1
1 65 . 14 1 1 A 7 7 ASN H H 16 8.291 9.104 -0.813 1
1 66 . 14 1 1 A 7 7 ASN HA H 16 5.049 5.301 -0.252 1
1 69 . 14 1 1 A 7 7 ASN C C 16 175.141 172.975 2.166 1
1 70 . 14 1 1 A 7 7 ASN CA C 16 52.224 52.151 0.073 1
1 71 . 14 1 1 A 7 7 ASN CB C 16 40.600 42.487 -1.887 1
1 72 . 14 1 1 A 7 7 ASN N N 16 116.809 116.647 0.162 1
1 73 . 14 1 1 A 8 8 CYS H H 17 8.737 8.848 -0.111 1
1 74 . 14 1 1 A 8 8 CYS HA H 17 4.584 4.877 -0.293 1
1 77 . 14 1 1 A 8 8 CYS CA C 17 56.164 55.682 0.482 1
1 78 . 14 1 1 A 8 8 CYS CB C 17 31.976 29.356 2.620 1
1 79 . 14 1 1 A 8 8 CYS N N 17 127.386 119.108 8.278 1
1 80 . 14 1 1 A 9 9 PRO HA H 18 4.457 4.438 0.019 1
1 87 . 14 1 1 A 9 9 PRO C C 18 175.922 177.714 -1.792 1
1 88 . 14 1 1 A 9 9 PRO CA C 18 63.663 64.009 -0.346 1
1 89 . 14 1 1 A 9 9 PRO CB C 18 32.913 31.801 1.112 1
1 92 . 14 1 1 A 10 10 ILE H H 19 8.471 8.196 0.275 1
1 93 . 14 1 1 A 10 10 ILE HA H 19 4.171 3.958 0.213 1
1 103 . 14 1 1 A 10 10 ILE C C 19 175.891 177.196 -1.305 1
1 104 . 14 1 1 A 10 10 ILE CA C 19 62.350 63.527 -1.177 1
1 105 . 14 1 1 A 10 10 ILE CB C 19 37.226 37.868 -0.642 1
1 109 . 14 1 1 A 10 10 ILE N N 19 121.858 116.580 5.278 1
1 110 . 14 1 1 A 11 11 CYS H H 20 7.443 7.286 0.157 1
1 111 . 14 1 1 A 11 11 CYS HA H 20 4.841 4.670 0.171 1
1 114 . 14 1 1 A 11 11 CYS C C 20 175.683 174.652 1.031 1
1 115 . 14 1 1 A 11 11 CYS CA C 20 57.851 58.450 -0.599 1
1 116 . 14 1 1 A 11 11 CYS CB C 20 31.601 29.486 2.115 1
1 117 . 14 1 1 A 11 11 CYS N N 20 115.827 116.290 -0.463 1
1 118 . 14 1 1 A 12 12 LEU H H 21 7.940 7.840 0.100 1
1 119 . 14 1 1 A 12 12 LEU HA H 21 4.241 4.193 0.048 1
1 129 . 14 1 1 A 12 12 LEU C C 21 176.286 175.282 1.004 1
1 130 . 14 1 1 A 12 12 LEU CA C 21 56.726 55.411 1.315 1
1 131 . 14 1 1 A 12 12 LEU CB C 21 38.163 40.742 -2.579 1
1 135 . 14 1 1 A 12 12 LEU N N 21 118.743 118.686 0.057 1
1 136 . 14 1 1 A 13 13 GLU H H 22 8.545 7.975 0.570 1
1 137 . 14 1 1 A 13 13 GLU HA H 22 4.700 4.691 0.009 1
1 142 . 14 1 1 A 13 13 GLU C C 22 176.910 174.203 2.707 1
1 143 . 14 1 1 A 13 13 GLU CA C 22 55.224 55.455 -0.231 1
1 144 . 14 1 1 A 13 13 GLU CB C 22 31.414 33.717 -2.303 1
1 146 . 14 1 1 A 13 13 GLU N N 22 119.659 122.181 -2.522 1
1 147 . 14 1 1 A 14 14 ASP H H 23 8.705 8.708 -0.003 1
1 148 . 14 1 1 A 14 14 ASP HA H 23 4.732 4.797 -0.065 1
1 151 . 14 1 1 A 14 14 ASP C C 23 177.077 175.276 1.801 1
1 152 . 14 1 1 A 14 14 ASP CA C 23 55.414 54.687 0.727 1
1 153 . 14 1 1 A 14 14 ASP CB C 23 42.288 42.060 0.228 1
1 154 . 14 1 1 A 14 14 ASP N N 23 121.813 122.973 -1.160 1
1 155 . 14 1 1 A 15 15 ILE H H 24 8.603 8.659 -0.056 1
1 156 . 14 1 1 A 15 15 ILE HA H 24 4.173 5.055 -0.882 1
1 166 . 14 1 1 A 15 15 ILE C C 24 174.920 174.936 -0.016 1
1 167 . 14 1 1 A 15 15 ILE CA C 24 59.726 59.871 -0.145 1
1 168 . 14 1 1 A 15 15 ILE CB C 24 40.413 42.364 -1.951 1
1 172 . 14 1 1 A 15 15 ILE N N 24 123.686 125.694 -2.008 1
1 173 . 14 1 1 A 16 16 HIS H H 25 8.581 8.815 -0.234 1
1 174 . 14 1 1 A 16 16 HIS HA H 25 4.685 5.415 -0.730 1
1 178 . 14 1 1 A 16 16 HIS C C 25 176.609 175.228 1.381 1
1 179 . 14 1 1 A 16 16 HIS CA C 25 56.913 54.703 2.210 1
1 180 . 14 1 1 A 16 16 HIS CB C 25 30.474 32.591 -2.117 1
1 182 . 14 1 1 A 16 16 HIS N N 25 123.042 124.315 -1.273 1
1 183 . 14 1 1 A 17 17 THR H H 26 8.241 8.240 0.001 1
1 184 . 14 1 1 A 17 17 THR HA H 26 4.303 3.753 0.550 1
1 189 . 14 1 1 A 17 17 THR C C 26 175.037 175.143 -0.106 1
1 190 . 14 1 1 A 17 17 THR CA C 26 62.913 65.429 -2.516 1
1 191 . 14 1 1 A 17 17 THR CB C 26 68.912 68.576 0.336 1
1 193 . 14 1 1 A 17 17 THR N N 26 114.128 117.829 -3.701 1
1 194 . 14 1 1 A 18 18 SER H H 27 8.160 7.072 1.088 1
1 195 . 14 1 1 A 18 18 SER HA H 27 4.514 4.367 0.147 1
1 198 . 14 1 1 A 18 18 SER C C 27 175.058 174.262 0.796 1
1 199 . 14 1 1 A 18 18 SER CA C 27 58.413 59.365 -0.952 1
1 200 . 14 1 1 A 18 18 SER CB C 27 63.100 62.372 0.728 1
1 201 . 14 1 1 A 18 18 SER N N 27 116.330 116.364 -0.034 1
1 202 . 14 1 1 A 19 19 ARG H H 28 8.200 8.406 -0.206 1
1 203 . 14 1 1 A 19 19 ARG HA H 28 4.233 4.265 -0.032 1
1 210 . 14 1 1 A 19 19 ARG C C 28 176.463 178.237 -1.774 1
1 211 . 14 1 1 A 19 19 ARG CA C 28 57.293 57.850 -0.557 1
1 212 . 14 1 1 A 19 19 ARG CB C 28 30.474 30.201 0.273 1
1 215 . 14 1 1 A 19 19 ARG N N 28 121.067 127.128 -6.061 1
1 216 . 14 1 1 A 20 20 VAL H H 29 7.789 7.783 0.006 1
1 217 . 14 1 1 A 20 20 VAL HA H 29 4.294 3.745 0.549 1
1 225 . 14 1 1 A 20 20 VAL C C 29 175.599 177.848 -2.249 1
1 226 . 14 1 1 A 20 20 VAL CA C 29 61.601 65.768 -4.167 1
1 227 . 14 1 1 A 20 20 VAL CB C 29 33.476 31.505 1.971 1
1 229 . 14 1 1 A 20 20 VAL N N 29 117.329 119.204 -1.875 1
1 230 . 14 1 1 A 21 21 VAL H H 30 8.068 7.687 0.381 1
1 231 . 14 1 1 A 21 21 VAL HA H 30 4.253 3.881 0.372 1
1 239 . 14 1 1 A 21 21 VAL C C 30 175.589 176.537 -0.948 1
1 240 . 14 1 1 A 21 21 VAL CA C 30 62.163 65.111 -2.948 1
1 241 . 14 1 1 A 21 21 VAL CB C 30 32.164 32.563 -0.399 1
1 244 . 14 1 1 A 21 21 VAL N N 30 121.049 118.071 2.978 1
1 245 . 14 1 1 A 22 22 ALA H H 31 8.303 7.853 0.450 1
1 246 . 14 1 1 A 22 22 ALA HA H 31 4.609 4.342 0.267 1
1 250 . 14 1 1 A 22 22 ALA C C 31 176.307 176.969 -0.662 1
1 251 . 14 1 1 A 22 22 ALA CA C 31 51.662 51.884 -0.222 1
1 252 . 14 1 1 A 22 22 ALA CB C 31 20.725 19.051 1.674 1
1 253 . 14 1 1 A 22 22 ALA N N 31 127.856 123.556 4.300 1
1 254 . 14 1 1 A 23 23 HIS H H 32 9.100 8.921 0.179 1
1 255 . 14 1 1 A 23 23 HIS HA H 32 4.488 4.624 -0.136 1
1 259 . 14 1 1 A 23 23 HIS C C 32 173.154 173.946 -0.792 1
1 260 . 14 1 1 A 23 23 HIS CA C 32 56.164 57.013 -0.849 1
1 261 . 14 1 1 A 23 23 HIS CB C 32 33.476 30.344 3.132 1
1 263 . 14 1 1 A 23 23 HIS N N 32 121.613 125.152 -3.539 1
1 264 . 14 1 1 A 24 24 VAL H H 33 7.498 8.355 -0.857 1
1 265 . 14 1 1 A 24 24 VAL HA H 33 4.130 4.814 -0.684 1
1 273 . 14 1 1 A 24 24 VAL C C 33 175.859 175.663 0.196 1
1 274 . 14 1 1 A 24 24 VAL CA C 33 61.038 60.988 0.050 1
1 275 . 14 1 1 A 24 24 VAL CB C 33 31.976 32.748 -0.772 1
1 278 . 14 1 1 A 24 24 VAL N N 33 126.760 127.062 -0.302 1
1 279 . 14 1 1 A 25 25 LEU H H 34 8.426 8.830 -0.404 1
1 280 . 14 1 1 A 25 25 LEU HA H 34 4.461 4.408 0.053 1
1 290 . 14 1 1 A 25 25 LEU CA C 34 54.661 53.694 0.967 1
1 291 . 14 1 1 A 25 25 LEU CB C 34 43.787 41.122 2.665 1
1 295 . 14 1 1 A 25 25 LEU N N 34 127.479 129.777 -2.298 1
1 296 . 14 1 1 A 26 26 PRO HA H 35 4.302 4.380 -0.078 1
1 303 . 14 1 1 A 26 26 PRO C C 35 176.494 177.385 -0.891 1
1 304 . 14 1 1 A 26 26 PRO CA C 35 65.350 64.388 0.962 1
1 305 . 14 1 1 A 26 26 PRO CB C 35 31.789 31.851 -0.062 1
1 308 . 14 1 1 A 27 27 CYS H H 36 7.266 7.668 -0.402 1
1 309 . 14 1 1 A 27 27 CYS HA H 36 4.407 4.473 -0.066 1
1 312 . 14 1 1 A 27 27 CYS C C 36 176.016 174.618 1.398 1
1 313 . 14 1 1 A 27 27 CYS CA C 36 56.726 58.639 -1.913 1
1 314 . 14 1 1 A 27 27 CYS CB C 36 31.601 27.799 3.802 1
1 315 . 14 1 1 A 27 27 CYS N N 36 111.241 116.106 -4.865 1
1 316 . 14 1 1 A 28 28 GLY H H 37 8.211 8.248 -0.037 1
1 317 . 14 1 1 A 28 28 GLY HA2 H 37 4.122 3.714 0.408 1
1 318 . 14 1 1 A 28 28 GLY HA3 H 37 3.329 3.767 -0.438 1
1 319 . 14 1 1 A 28 28 GLY C C 37 173.903 174.314 -0.411 1
1 320 . 14 1 1 A 28 28 GLY CA C 37 44.725 45.641 -0.916 1
1 321 . 14 1 1 A 28 28 GLY N N 37 111.309 109.654 1.655 1
1 322 . 14 1 1 A 29 29 HIS H H 38 8.109 7.555 0.554 1
1 323 . 14 1 1 A 29 29 HIS HA H 38 4.622 4.728 -0.106 1
1 327 . 14 1 1 A 29 29 HIS C C 38 173.029 174.445 -1.416 1
1 328 . 14 1 1 A 29 29 HIS CA C 38 59.351 55.728 3.623 1
1 329 . 14 1 1 A 29 29 HIS CB C 38 31.224 32.260 -1.036 1
1 331 . 14 1 1 A 29 29 HIS N N 38 121.624 117.753 3.871 1
1 332 . 14 1 1 A 30 30 LEU H H 39 8.923 8.730 0.193 1
1 333 . 14 1 1 A 30 30 LEU HA H 39 5.112 5.272 -0.160 1
1 343 . 14 1 1 A 30 30 LEU C C 39 176.380 175.582 0.798 1
1 344 . 14 1 1 A 30 30 LEU CA C 39 54.474 53.499 0.975 1
1 345 . 14 1 1 A 30 30 LEU CB C 39 45.662 44.648 1.014 1
1 349 . 14 1 1 A 30 30 LEU N N 39 120.785 121.214 -0.429 1
1 350 . 14 1 1 A 31 31 LEU H H 40 8.586 8.782 -0.196 1
1 351 . 14 1 1 A 31 31 LEU HA H 40 5.144 4.715 0.429 1
1 361 . 14 1 1 A 31 31 LEU C C 40 177.701 175.631 2.070 1
1 362 . 14 1 1 A 31 31 LEU CA C 40 53.161 53.825 -0.664 1
1 363 . 14 1 1 A 31 31 LEU CB C 40 47.350 44.816 2.534 1
1 366 . 14 1 1 A 31 31 LEU N N 40 117.837 120.726 -2.889 1
1 367 . 14 1 1 A 32 32 HIS H H 41 7.726 7.794 -0.068 1
1 368 . 14 1 1 A 32 32 HIS HA H 41 4.693 4.769 -0.076 1
1 372 . 14 1 1 A 32 32 HIS C C 41 176.994 176.357 0.637 1
1 373 . 14 1 1 A 32 32 HIS CA C 41 59.913 55.075 4.838 1
1 374 . 14 1 1 A 32 32 HIS CB C 41 31.036 31.664 -0.628 1
1 376 . 14 1 1 A 32 32 HIS N N 41 118.242 116.007 2.235 1
1 377 . 14 1 1 A 33 33 ARG H H 42 9.564 9.183 0.381 1
1 378 . 14 1 1 A 33 33 ARG HA H 42 4.055 3.924 0.131 1
1 385 . 14 1 1 A 33 33 ARG C C 42 178.388 178.583 -0.195 1
1 386 . 14 1 1 A 33 33 ARG CA C 42 60.476 60.116 0.360 1
1 387 . 14 1 1 A 33 33 ARG CB C 42 29.536 30.148 -0.612 1
1 390 . 14 1 1 A 33 33 ARG N N 42 124.900 120.522 4.378 1
1 391 . 14 1 1 A 34 34 THR H H 43 8.386 8.442 -0.056 1
1 392 . 14 1 1 A 34 34 THR HA H 43 4.101 3.960 0.141 1
1 397 . 14 1 1 A 34 34 THR C C 43 177.285 176.902 0.383 1
1 398 . 14 1 1 A 34 34 THR CA C 43 64.788 66.819 -2.031 1
1 399 . 14 1 1 A 34 34 THR CB C 43 67.787 67.957 -0.170 1
1 401 . 14 1 1 A 34 34 THR N N 43 109.798 114.146 -4.348 1
1 402 . 14 1 1 A 35 35 CYS H H 44 6.825 8.566 -1.741 1
1 403 . 14 1 1 A 35 35 CYS HA H 44 4.066 4.518 -0.452 1
1 406 . 14 1 1 A 35 35 CYS C C 44 176.671 177.033 -0.362 1
1 407 . 14 1 1 A 35 35 CYS CA C 44 63.100 62.925 0.175 1
1 408 . 14 1 1 A 35 35 CYS CB C 44 28.787 27.320 1.467 1
1 409 . 14 1 1 A 35 35 CYS N N 44 123.057 118.076 4.981 1
1 410 . 14 1 1 A 36 36 TYR H H 45 8.484 8.112 0.372 1
1 411 . 14 1 1 A 36 36 TYR HA H 45 4.200 4.128 0.072 1
1 418 . 14 1 1 A 36 36 TYR C C 45 176.140 178.220 -2.080 1
1 419 . 14 1 1 A 36 36 TYR CA C 45 60.101 61.672 -1.571 1
1 420 . 14 1 1 A 36 36 TYR CB C 45 37.601 38.519 -0.918 1
1 423 . 14 1 1 A 36 36 TYR N N 45 119.972 122.964 -2.992 1
1 424 . 14 1 1 A 37 37 GLU H H 46 7.925 8.316 -0.391 1
1 425 . 14 1 1 A 37 37 GLU HA H 46 3.546 3.695 -0.149 1
1 430 . 14 1 1 A 37 37 GLU C C 46 179.574 179.201 0.373 1
1 431 . 14 1 1 A 37 37 GLU CA C 46 59.351 59.927 -0.576 1
1 432 . 14 1 1 A 37 37 GLU CB C 46 28.787 29.076 -0.289 1
1 434 . 14 1 1 A 37 37 GLU N N 46 117.277 118.141 -0.864 1
1 435 . 14 1 1 A 38 38 GLU H H 47 7.598 7.985 -0.387 1
1 436 . 14 1 1 A 38 38 GLU HA H 47 4.041 4.061 -0.020 1
1 441 . 14 1 1 A 38 38 GLU C C 47 177.743 178.714 -0.971 1
1 442 . 14 1 1 A 38 38 GLU CA C 47 58.788 59.002 -0.214 1
1 443 . 14 1 1 A 38 38 GLU CB C 47 29.349 29.937 -0.588 1
1 445 . 14 1 1 A 38 38 GLU N N 47 119.258 120.915 -1.657 1
1 446 . 14 1 1 A 39 39 MET H H 48 7.918 8.154 -0.236 1
1 447 . 14 1 1 A 39 39 MET HA H 48 3.612 4.470 -0.858 1
1 452 . 14 1 1 A 39 39 MET C C 48 178.232 178.506 -0.274 1
1 453 . 14 1 1 A 39 39 MET CA C 48 58.226 58.617 -0.391 1
1 454 . 14 1 1 A 39 39 MET CB C 48 32.351 32.251 0.100 1
1 456 . 14 1 1 A 39 39 MET N N 48 120.952 119.570 1.382 1
1 457 . 14 1 1 A 40 40 LEU H H 49 8.042 8.231 -0.189 1
1 458 . 14 1 1 A 40 40 LEU HA H 49 3.867 3.984 -0.117 1
1 468 . 14 1 1 A 40 40 LEU C C 49 179.543 178.477 1.066 1
1 469 . 14 1 1 A 40 40 LEU CA C 49 56.726 57.519 -0.793 1
1 470 . 14 1 1 A 40 40 LEU CB C 49 41.913 41.024 0.889 1
1 474 . 14 1 1 A 40 40 LEU N N 49 119.191 120.918 -1.727 1
1 475 . 14 1 1 A 41 41 LYS H H 50 7.604 8.060 -0.456 1
1 476 . 14 1 1 A 41 41 LYS HA H 50 3.957 3.895 0.062 1
1 485 . 14 1 1 A 41 41 LYS C C 50 178.305 178.560 -0.255 1
1 486 . 14 1 1 A 41 41 LYS CA C 50 58.788 59.539 -0.751 1
1 487 . 14 1 1 A 41 41 LYS CB C 50 32.726 32.262 0.464 1
1 491 . 14 1 1 A 41 41 LYS N N 50 119.815 119.398 0.417 1
1 492 . 14 1 1 A 42 42 GLU H H 51 7.972 7.839 0.133 1
1 493 . 14 1 1 A 42 42 GLU HA H 51 4.238 4.412 -0.174 1
1 498 . 14 1 1 A 42 42 GLU C C 51 177.837 177.665 0.172 1
1 499 . 14 1 1 A 42 42 GLU CA C 51 56.913 56.416 0.497 1
1 500 . 14 1 1 A 42 42 GLU CB C 51 30.660 30.759 -0.099 1
1 502 . 14 1 1 A 42 42 GLU N N 51 116.691 115.820 0.871 1
1 503 . 14 1 1 A 43 43 GLY H H 52 8.022 8.409 -0.387 1
1 504 . 14 1 1 A 43 43 GLY HA2 H 52 4.051 3.923 0.128 1
1 505 . 14 1 1 A 43 43 GLY HA3 H 52 3.778 3.946 -0.168 1
1 506 . 14 1 1 A 43 43 GLY C C 52 174.278 174.139 0.139 1
1 507 . 14 1 1 A 43 43 GLY CA C 52 46.037 46.535 -0.498 1
1 508 . 14 1 1 A 43 43 GLY N N 52 108.181 108.660 -0.479 1
1 509 . 14 1 1 A 44 44 TYR H H 53 7.184 7.970 -0.786 1
1 510 . 14 1 1 A 44 44 TYR HA H 53 4.787 4.603 0.184 1
1 517 . 14 1 1 A 44 44 TYR C C 53 174.725 175.523 -0.798 1
1 518 . 14 1 1 A 44 44 TYR CA C 53 55.976 57.624 -1.648 1
1 519 . 14 1 1 A 44 44 TYR CB C 53 38.913 39.507 -0.594 1
1 522 . 14 1 1 A 44 44 TYR N N 53 117.550 118.795 -1.245 1
1 523 . 14 1 1 A 45 45 ARG H H 54 7.969 8.548 -0.579 1
1 524 . 14 1 1 A 45 45 ARG HA H 54 4.412 4.117 0.295 1
1 531 . 14 1 1 A 45 45 ARG C C 54 174.902 175.455 -0.553 1
1 532 . 14 1 1 A 45 45 ARG CA C 54 54.849 56.393 -1.544 1
1 533 . 14 1 1 A 45 45 ARG CB C 54 32.164 30.377 1.787 1
1 536 . 14 1 1 A 45 45 ARG N N 54 120.614 117.970 2.644 1
1 537 . 14 1 1 A 46 46 CYS H H 55 8.579 8.880 -0.301 1
1 538 . 14 1 1 A 46 46 CYS HA H 55 4.236 4.571 -0.335 1
1 541 . 14 1 1 A 46 46 CYS CA C 55 57.477 57.294 0.183 1
1 542 . 14 1 1 A 46 46 CYS CB C 55 30.849 28.108 2.741 1
1 543 . 14 1 1 A 46 46 CYS N N 55 123.189 120.760 2.429 1
1 544 . 14 1 1 A 47 47 PRO HA H 56 4.459 4.327 0.132 1
1 551 . 14 1 1 A 47 47 PRO C C 56 178.242 177.740 0.502 1
1 552 . 14 1 1 A 47 47 PRO CA C 56 64.225 64.215 0.010 1
1 553 . 14 1 1 A 47 47 PRO CB C 56 32.913 31.843 1.070 1
1 556 . 14 1 1 A 48 48 LEU H H 57 8.285 7.529 0.756 1
1 557 . 14 1 1 A 48 48 LEU HA H 57 4.191 4.060 0.131 1
1 567 . 14 1 1 A 48 48 LEU C C 57 178.783 178.747 0.036 1
1 568 . 14 1 1 A 48 48 LEU CA C 57 55.789 56.305 -0.516 1
1 569 . 14 1 1 A 48 48 LEU CB C 57 41.163 40.989 0.174 1
1 573 . 14 1 1 A 48 48 LEU N N 57 119.589 116.683 2.906 1
1 574 . 14 1 1 A 49 49 CYS H H 58 7.949 7.979 -0.030 1
1 575 . 14 1 1 A 49 49 CYS HA H 58 4.281 4.310 -0.029 1
1 578 . 14 1 1 A 49 49 CYS C C 58 176.088 176.928 -0.840 1
1 579 . 14 1 1 A 49 49 CYS CA C 58 63.475 62.658 0.817 1
1 580 . 14 1 1 A 49 49 CYS CB C 58 30.099 27.123 2.976 1
1 581 . 14 1 1 A 49 49 CYS N N 58 123.132 118.425 4.707 1
1 582 . 14 1 1 A 50 50 MET H H 59 7.717 7.623 0.094 1
1 583 . 14 1 1 A 50 50 MET HA H 59 4.332 4.252 0.080 1
1 588 . 14 1 1 A 50 50 MET C C 59 175.870 176.882 -1.012 1
1 589 . 14 1 1 A 50 50 MET CA C 59 55.601 58.401 -2.800 1
1 590 . 14 1 1 A 50 50 MET CB C 59 32.164 32.402 -0.238 1
1 592 . 14 1 1 A 50 50 MET N N 59 118.057 121.135 -3.078 1
1 593 . 14 1 1 A 51 51 HIS H H 60 7.965 7.439 0.526 1
1 594 . 14 1 1 A 51 51 HIS HA H 60 4.709 4.527 0.182 1
1 598 . 14 1 1 A 51 51 HIS C C 60 174.267 174.388 -0.121 1
1 599 . 14 1 1 A 51 51 HIS CA C 60 55.601 57.496 -1.895 1
1 600 . 14 1 1 A 51 51 HIS CB C 60 30.661 30.774 -0.113 1
1 602 . 14 1 1 A 51 51 HIS N N 60 119.437 119.611 -0.174 1
1 12 . 15 1 1 A 2 2 ASN H H 11 8.476 8.173 0.303 1
1 13 . 15 1 1 A 2 2 ASN HA H 11 4.704 4.983 -0.279 1
1 16 . 15 1 1 A 2 2 ASN C C 11 175.058 174.971 0.087 1
1 17 . 15 1 1 A 2 2 ASN CA C 11 53.375 52.091 1.284 1
1 18 . 15 1 1 A 2 2 ASN CB C 11 38.913 36.358 2.555 1
1 19 . 15 1 1 A 2 2 ASN N N 11 119.245 119.174 0.071 1
1 20 . 15 1 1 A 3 3 VAL H H 12 8.023 8.694 -0.671 1
1 21 . 15 1 1 A 3 3 VAL HA H 12 4.171 3.922 0.249 1
1 29 . 15 1 1 A 3 3 VAL C C 12 176.120 175.538 0.582 1
1 30 . 15 1 1 A 3 3 VAL CA C 12 61.975 64.642 -2.667 1
1 31 . 15 1 1 A 3 3 VAL CB C 12 32.913 31.881 1.032 1
1 34 . 15 1 1 A 3 3 VAL N N 12 119.852 126.024 -6.172 1
1 35 . 15 1 1 A 4 4 SER H H 13 8.384 7.838 0.546 1
1 36 . 15 1 1 A 4 4 SER HA H 13 4.452 4.879 -0.427 1
1 39 . 15 1 1 A 4 4 SER C C 13 174.153 172.925 1.228 1
1 40 . 15 1 1 A 4 4 SER CA C 13 58.226 57.810 0.416 1
1 41 . 15 1 1 A 4 4 SER CB C 13 63.663 64.808 -1.145 1
1 42 . 15 1 1 A 4 4 SER N N 13 119.429 112.205 7.224 1
1 43 . 15 1 1 A 5 5 GLN H H 14 8.299 8.536 -0.237 1
1 44 . 15 1 1 A 5 5 GLN HA H 14 4.332 4.438 -0.106 1
1 49 . 15 1 1 A 5 5 GLN C C 14 175.152 176.173 -1.021 1
1 50 . 15 1 1 A 5 5 GLN CA C 14 56.164 56.356 -0.192 1
1 51 . 15 1 1 A 5 5 GLN CB C 14 29.724 29.509 0.215 1
1 53 . 15 1 1 A 5 5 GLN N N 14 123.721 125.114 -1.393 1
1 54 . 15 1 1 A 6 6 GLN H H 15 8.692 8.470 0.222 1
1 55 . 15 1 1 A 6 6 GLN HA H 15 4.343 4.401 -0.058 1
1 60 . 15 1 1 A 6 6 GLN C C 15 175.193 176.241 -1.048 1
1 61 . 15 1 1 A 6 6 GLN CA C 15 56.539 56.118 0.421 1
1 62 . 15 1 1 A 6 6 GLN CB C 15 30.474 29.204 1.270 1
1 64 . 15 1 1 A 6 6 GLN N N 15 124.240 122.311 1.929 1
1 65 . 15 1 1 A 7 7 ASN H H 16 8.291 8.607 -0.316 1
1 66 . 15 1 1 A 7 7 ASN HA H 16 5.049 4.885 0.164 1
1 69 . 15 1 1 A 7 7 ASN C C 16 175.141 174.675 0.466 1
1 70 . 15 1 1 A 7 7 ASN CA C 16 52.224 52.616 -0.392 1
1 71 . 15 1 1 A 7 7 ASN CB C 16 40.600 39.648 0.952 1
1 72 . 15 1 1 A 7 7 ASN N N 16 116.809 123.678 -6.869 1
1 73 . 15 1 1 A 8 8 CYS H H 17 8.737 8.958 -0.221 1
1 74 . 15 1 1 A 8 8 CYS HA H 17 4.584 4.610 -0.026 1
1 77 . 15 1 1 A 8 8 CYS CA C 17 56.164 56.716 -0.552 1
1 78 . 15 1 1 A 8 8 CYS CB C 17 31.976 28.972 3.004 1
1 79 . 15 1 1 A 8 8 CYS N N 17 127.386 122.307 5.079 1
1 80 . 15 1 1 A 9 9 PRO HA H 18 4.457 4.561 -0.104 1
1 87 . 15 1 1 A 9 9 PRO C C 18 175.922 177.627 -1.705 1
1 88 . 15 1 1 A 9 9 PRO CA C 18 63.663 64.018 -0.355 1
1 89 . 15 1 1 A 9 9 PRO CB C 18 32.913 31.966 0.947 1
1 92 . 15 1 1 A 10 10 ILE H H 19 8.471 8.287 0.184 1
1 93 . 15 1 1 A 10 10 ILE HA H 19 4.171 4.039 0.132 1
1 103 . 15 1 1 A 10 10 ILE C C 19 175.891 177.266 -1.375 1
1 104 . 15 1 1 A 10 10 ILE CA C 19 62.350 63.398 -1.048 1
1 105 . 15 1 1 A 10 10 ILE CB C 19 37.226 38.327 -1.101 1
1 109 . 15 1 1 A 10 10 ILE N N 19 121.858 116.834 5.024 1
1 110 . 15 1 1 A 11 11 CYS H H 20 7.443 7.489 -0.046 1
1 111 . 15 1 1 A 11 11 CYS HA H 20 4.841 4.660 0.181 1
1 114 . 15 1 1 A 11 11 CYS C C 20 175.683 175.206 0.477 1
1 115 . 15 1 1 A 11 11 CYS CA C 20 57.851 58.320 -0.469 1
1 116 . 15 1 1 A 11 11 CYS CB C 20 31.601 29.012 2.589 1
1 117 . 15 1 1 A 11 11 CYS N N 20 115.827 117.395 -1.568 1
1 118 . 15 1 1 A 12 12 LEU H H 21 7.940 8.072 -0.132 1
1 119 . 15 1 1 A 12 12 LEU HA H 21 4.241 3.878 0.363 1
1 129 . 15 1 1 A 12 12 LEU C C 21 176.286 175.794 0.492 1
1 130 . 15 1 1 A 12 12 LEU CA C 21 56.726 56.286 0.440 1
1 131 . 15 1 1 A 12 12 LEU CB C 21 38.163 40.241 -2.078 1
1 135 . 15 1 1 A 12 12 LEU N N 21 118.743 117.030 1.713 1
1 136 . 15 1 1 A 13 13 GLU H H 22 8.545 7.572 0.973 1
1 137 . 15 1 1 A 13 13 GLU HA H 22 4.700 4.682 0.018 1
1 142 . 15 1 1 A 13 13 GLU C C 22 176.910 175.009 1.901 1
1 143 . 15 1 1 A 13 13 GLU CA C 22 55.224 54.795 0.429 1
1 144 . 15 1 1 A 13 13 GLU CB C 22 31.414 31.527 -0.113 1
1 146 . 15 1 1 A 13 13 GLU N N 22 119.659 118.020 1.639 1
1 147 . 15 1 1 A 14 14 ASP H H 23 8.705 8.528 0.177 1
1 148 . 15 1 1 A 14 14 ASP HA H 23 4.732 5.100 -0.368 1
1 151 . 15 1 1 A 14 14 ASP C C 23 177.077 175.337 1.740 1
1 152 . 15 1 1 A 14 14 ASP CA C 23 55.414 53.871 1.543 1
1 153 . 15 1 1 A 14 14 ASP CB C 23 42.288 42.451 -0.163 1
1 154 . 15 1 1 A 14 14 ASP N N 23 121.813 121.629 0.184 1
1 155 . 15 1 1 A 15 15 ILE H H 24 8.603 8.691 -0.088 1
1 156 . 15 1 1 A 15 15 ILE HA H 24 4.173 5.072 -0.899 1
1 166 . 15 1 1 A 15 15 ILE C C 24 174.920 173.884 1.036 1
1 167 . 15 1 1 A 15 15 ILE CA C 24 59.726 60.457 -0.731 1
1 168 . 15 1 1 A 15 15 ILE CB C 24 40.413 42.103 -1.690 1
1 172 . 15 1 1 A 15 15 ILE N N 24 123.686 124.679 -0.993 1
1 173 . 15 1 1 A 16 16 HIS H H 25 8.581 9.070 -0.489 1
1 174 . 15 1 1 A 16 16 HIS HA H 25 4.685 5.118 -0.433 1
1 178 . 15 1 1 A 16 16 HIS C C 25 176.609 175.481 1.128 1
1 179 . 15 1 1 A 16 16 HIS CA C 25 56.913 54.491 2.422 1
1 180 . 15 1 1 A 16 16 HIS CB C 25 30.474 32.428 -1.954 1
1 182 . 15 1 1 A 16 16 HIS N N 25 123.042 127.582 -4.540 1
1 183 . 15 1 1 A 17 17 THR H H 26 8.241 8.413 -0.172 1
1 184 . 15 1 1 A 17 17 THR HA H 26 4.303 3.984 0.319 1
1 189 . 15 1 1 A 17 17 THR C C 26 175.037 174.958 0.079 1
1 190 . 15 1 1 A 17 17 THR CA C 26 62.913 64.545 -1.632 1
1 191 . 15 1 1 A 17 17 THR CB C 26 68.912 68.662 0.250 1
1 193 . 15 1 1 A 17 17 THR N N 26 114.128 118.516 -4.388 1
1 194 . 15 1 1 A 18 18 SER H H 27 8.160 7.940 0.220 1
1 195 . 15 1 1 A 18 18 SER HA H 27 4.514 4.461 0.053 1
1 198 . 15 1 1 A 18 18 SER C C 27 175.058 175.119 -0.061 1
1 199 . 15 1 1 A 18 18 SER CA C 27 58.413 57.876 0.537 1
1 200 . 15 1 1 A 18 18 SER CB C 27 63.100 62.865 0.235 1
1 201 . 15 1 1 A 18 18 SER N N 27 116.330 117.741 -1.411 1
1 202 . 15 1 1 A 19 19 ARG H H 28 8.200 8.367 -0.167 1
1 203 . 15 1 1 A 19 19 ARG HA H 28 4.233 4.142 0.091 1
1 210 . 15 1 1 A 19 19 ARG C C 28 176.463 177.823 -1.360 1
1 211 . 15 1 1 A 19 19 ARG CA C 28 57.293 58.421 -1.128 1
1 212 . 15 1 1 A 19 19 ARG CB C 28 30.474 29.960 0.514 1
1 215 . 15 1 1 A 19 19 ARG N N 28 121.067 128.165 -7.098 1
1 216 . 15 1 1 A 20 20 VAL H H 29 7.789 7.978 -0.189 1
1 217 . 15 1 1 A 20 20 VAL HA H 29 4.294 3.901 0.393 1
1 225 . 15 1 1 A 20 20 VAL C C 29 175.599 177.081 -1.482 1
1 226 . 15 1 1 A 20 20 VAL CA C 29 61.601 64.517 -2.916 1
1 227 . 15 1 1 A 20 20 VAL CB C 29 33.476 31.630 1.846 1
1 229 . 15 1 1 A 20 20 VAL N N 29 117.329 118.015 -0.686 1
1 230 . 15 1 1 A 21 21 VAL H H 30 8.068 7.347 0.721 1
1 231 . 15 1 1 A 21 21 VAL HA H 30 4.253 4.015 0.238 1
1 239 . 15 1 1 A 21 21 VAL C C 30 175.589 176.158 -0.569 1
1 240 . 15 1 1 A 21 21 VAL CA C 30 62.163 64.608 -2.445 1
1 241 . 15 1 1 A 21 21 VAL CB C 30 32.164 32.480 -0.316 1
1 244 . 15 1 1 A 21 21 VAL N N 30 121.049 119.152 1.897 1
1 245 . 15 1 1 A 22 22 ALA H H 31 8.303 7.880 0.423 1
1 246 . 15 1 1 A 22 22 ALA HA H 31 4.609 4.350 0.259 1
1 250 . 15 1 1 A 22 22 ALA C C 31 176.307 177.059 -0.752 1
1 251 . 15 1 1 A 22 22 ALA CA C 31 51.662 52.317 -0.655 1
1 252 . 15 1 1 A 22 22 ALA CB C 31 20.725 19.110 1.615 1
1 253 . 15 1 1 A 22 22 ALA N N 31 127.856 123.281 4.575 1
1 254 . 15 1 1 A 23 23 HIS H H 32 9.100 8.935 0.165 1
1 255 . 15 1 1 A 23 23 HIS HA H 32 4.488 4.706 -0.218 1
1 259 . 15 1 1 A 23 23 HIS C C 32 173.154 173.761 -0.607 1
1 260 . 15 1 1 A 23 23 HIS CA C 32 56.164 57.490 -1.326 1
1 261 . 15 1 1 A 23 23 HIS CB C 32 33.476 30.581 2.895 1
1 263 . 15 1 1 A 23 23 HIS N N 32 121.613 124.453 -2.840 1
1 264 . 15 1 1 A 24 24 VAL H H 33 7.498 8.247 -0.749 1
1 265 . 15 1 1 A 24 24 VAL HA H 33 4.130 5.012 -0.882 1
1 273 . 15 1 1 A 24 24 VAL C C 33 175.859 175.468 0.391 1
1 274 . 15 1 1 A 24 24 VAL CA C 33 61.038 60.429 0.609 1
1 275 . 15 1 1 A 24 24 VAL CB C 33 31.976 33.394 -1.418 1
1 278 . 15 1 1 A 24 24 VAL N N 33 126.760 126.357 0.403 1
1 279 . 15 1 1 A 25 25 LEU H H 34 8.426 8.883 -0.457 1
1 280 . 15 1 1 A 25 25 LEU HA H 34 4.461 4.501 -0.040 1
1 290 . 15 1 1 A 25 25 LEU CA C 34 54.661 53.856 0.805 1
1 291 . 15 1 1 A 25 25 LEU CB C 34 43.787 41.206 2.581 1
1 295 . 15 1 1 A 25 25 LEU N N 34 127.479 129.613 -2.134 1
1 296 . 15 1 1 A 26 26 PRO HA H 35 4.302 4.312 -0.010 1
1 303 . 15 1 1 A 26 26 PRO C C 35 176.494 177.471 -0.977 1
1 304 . 15 1 1 A 26 26 PRO CA C 35 65.350 64.595 0.755 1
1 305 . 15 1 1 A 26 26 PRO CB C 35 31.789 31.835 -0.046 1
1 308 . 15 1 1 A 27 27 CYS H H 36 7.266 7.679 -0.413 1
1 309 . 15 1 1 A 27 27 CYS HA H 36 4.407 4.440 -0.033 1
1 312 . 15 1 1 A 27 27 CYS C C 36 176.016 174.710 1.306 1
1 313 . 15 1 1 A 27 27 CYS CA C 36 56.726 58.792 -2.066 1
1 314 . 15 1 1 A 27 27 CYS CB C 36 31.601 28.023 3.578 1
1 315 . 15 1 1 A 27 27 CYS N N 36 111.241 116.073 -4.832 1
1 316 . 15 1 1 A 28 28 GLY H H 37 8.211 8.392 -0.181 1
1 317 . 15 1 1 A 28 28 GLY HA2 H 37 4.122 3.763 0.359 1
1 318 . 15 1 1 A 28 28 GLY HA3 H 37 3.329 3.829 -0.500 1
1 319 . 15 1 1 A 28 28 GLY C C 37 173.903 174.284 -0.381 1
1 320 . 15 1 1 A 28 28 GLY CA C 37 44.725 45.476 -0.751 1
1 321 . 15 1 1 A 28 28 GLY N N 37 111.309 109.409 1.900 1
1 322 . 15 1 1 A 29 29 HIS H H 38 8.109 7.549 0.560 1
1 323 . 15 1 1 A 29 29 HIS HA H 38 4.622 4.707 -0.085 1
1 327 . 15 1 1 A 29 29 HIS C C 38 173.029 174.488 -1.459 1
1 328 . 15 1 1 A 29 29 HIS CA C 38 59.351 55.804 3.547 1
1 329 . 15 1 1 A 29 29 HIS CB C 38 31.224 32.140 -0.916 1
1 331 . 15 1 1 A 29 29 HIS N N 38 121.624 117.974 3.650 1
1 332 . 15 1 1 A 30 30 LEU H H 39 8.923 8.647 0.276 1
1 333 . 15 1 1 A 30 30 LEU HA H 39 5.112 5.310 -0.198 1
1 343 . 15 1 1 A 30 30 LEU C C 39 176.380 175.625 0.755 1
1 344 . 15 1 1 A 30 30 LEU CA C 39 54.474 53.477 0.997 1
1 345 . 15 1 1 A 30 30 LEU CB C 39 45.662 44.716 0.946 1
1 349 . 15 1 1 A 30 30 LEU N N 39 120.785 121.034 -0.249 1
1 350 . 15 1 1 A 31 31 LEU H H 40 8.586 8.927 -0.341 1
1 351 . 15 1 1 A 31 31 LEU HA H 40 5.144 4.729 0.415 1
1 361 . 15 1 1 A 31 31 LEU C C 40 177.701 175.543 2.158 1
1 362 . 15 1 1 A 31 31 LEU CA C 40 53.161 53.836 -0.675 1
1 363 . 15 1 1 A 31 31 LEU CB C 40 47.350 45.094 2.256 1
1 366 . 15 1 1 A 31 31 LEU N N 40 117.837 120.838 -3.001 1
1 367 . 15 1 1 A 32 32 HIS H H 41 7.726 7.782 -0.056 1
1 368 . 15 1 1 A 32 32 HIS HA H 41 4.693 4.690 0.003 1
1 372 . 15 1 1 A 32 32 HIS C C 41 176.994 176.350 0.644 1
1 373 . 15 1 1 A 32 32 HIS CA C 41 59.913 55.430 4.483 1
1 374 . 15 1 1 A 32 32 HIS CB C 41 31.036 31.315 -0.279 1
1 376 . 15 1 1 A 32 32 HIS N N 41 118.242 116.245 1.997 1
1 377 . 15 1 1 A 33 33 ARG H H 42 9.564 9.140 0.424 1
1 378 . 15 1 1 A 33 33 ARG HA H 42 4.055 3.896 0.159 1
1 385 . 15 1 1 A 33 33 ARG C C 42 178.388 178.366 0.022 1
1 386 . 15 1 1 A 33 33 ARG CA C 42 60.476 60.235 0.241 1
1 387 . 15 1 1 A 33 33 ARG CB C 42 29.536 30.183 -0.647 1
1 390 . 15 1 1 A 33 33 ARG N N 42 124.900 120.302 4.598 1
1 391 . 15 1 1 A 34 34 THR H H 43 8.386 8.439 -0.053 1
1 392 . 15 1 1 A 34 34 THR HA H 43 4.101 4.090 0.011 1
1 397 . 15 1 1 A 34 34 THR C C 43 177.285 177.061 0.224 1
1 398 . 15 1 1 A 34 34 THR CA C 43 64.788 66.590 -1.802 1
1 399 . 15 1 1 A 34 34 THR CB C 43 67.787 68.288 -0.501 1
1 401 . 15 1 1 A 34 34 THR N N 43 109.798 114.003 -4.205 1
1 402 . 15 1 1 A 35 35 CYS H H 44 6.825 8.453 -1.628 1
1 403 . 15 1 1 A 35 35 CYS HA H 44 4.066 4.210 -0.144 1
1 406 . 15 1 1 A 35 35 CYS C C 44 176.671 177.031 -0.360 1
1 407 . 15 1 1 A 35 35 CYS CA C 44 63.100 63.469 -0.369 1
1 408 . 15 1 1 A 35 35 CYS CB C 44 28.787 27.539 1.248 1
1 409 . 15 1 1 A 35 35 CYS N N 44 123.057 118.414 4.643 1
1 410 . 15 1 1 A 36 36 TYR H H 45 8.484 8.262 0.222 1
1 411 . 15 1 1 A 36 36 TYR HA H 45 4.200 4.090 0.110 1
1 418 . 15 1 1 A 36 36 TYR C C 45 176.140 177.704 -1.564 1
1 419 . 15 1 1 A 36 36 TYR CA C 45 60.101 61.230 -1.129 1
1 420 . 15 1 1 A 36 36 TYR CB C 45 37.601 38.502 -0.901 1
1 423 . 15 1 1 A 36 36 TYR N N 45 119.972 122.593 -2.621 1
1 424 . 15 1 1 A 37 37 GLU H H 46 7.925 8.124 -0.199 1
1 425 . 15 1 1 A 37 37 GLU HA H 46 3.546 3.619 -0.073 1
1 430 . 15 1 1 A 37 37 GLU C C 46 179.574 179.331 0.243 1
1 431 . 15 1 1 A 37 37 GLU CA C 46 59.351 59.391 -0.040 1
1 432 . 15 1 1 A 37 37 GLU CB C 46 28.787 28.967 -0.180 1
1 434 . 15 1 1 A 37 37 GLU N N 46 117.277 118.908 -1.631 1
1 435 . 15 1 1 A 38 38 GLU H H 47 7.598 8.342 -0.744 1
1 436 . 15 1 1 A 38 38 GLU HA H 47 4.041 4.040 0.001 1
1 441 . 15 1 1 A 38 38 GLU C C 47 177.743 178.992 -1.249 1
1 442 . 15 1 1 A 38 38 GLU CA C 47 58.788 59.010 -0.222 1
1 443 . 15 1 1 A 38 38 GLU CB C 47 29.349 29.358 -0.009 1
1 445 . 15 1 1 A 38 38 GLU N N 47 119.258 120.201 -0.943 1
1 446 . 15 1 1 A 39 39 MET H H 48 7.918 8.030 -0.112 1
1 447 . 15 1 1 A 39 39 MET HA H 48 3.612 4.480 -0.868 1
1 452 . 15 1 1 A 39 39 MET C C 48 178.232 178.522 -0.290 1
1 453 . 15 1 1 A 39 39 MET CA C 48 58.226 58.471 -0.245 1
1 454 . 15 1 1 A 39 39 MET CB C 48 32.351 32.488 -0.137 1
1 456 . 15 1 1 A 39 39 MET N N 48 120.952 119.705 1.247 1
1 457 . 15 1 1 A 40 40 LEU H H 49 8.042 8.081 -0.039 1
1 458 . 15 1 1 A 40 40 LEU HA H 49 3.867 3.928 -0.061 1
1 468 . 15 1 1 A 40 40 LEU C C 49 179.543 178.020 1.523 1
1 469 . 15 1 1 A 40 40 LEU CA C 49 56.726 57.580 -0.854 1
1 470 . 15 1 1 A 40 40 LEU CB C 49 41.913 41.006 0.907 1
1 474 . 15 1 1 A 40 40 LEU N N 49 119.191 120.968 -1.777 1
1 475 . 15 1 1 A 41 41 LYS H H 50 7.604 8.414 -0.810 1
1 476 . 15 1 1 A 41 41 LYS HA H 50 3.957 3.896 0.061 1
1 485 . 15 1 1 A 41 41 LYS C C 50 178.305 179.089 -0.784 1
1 486 . 15 1 1 A 41 41 LYS CA C 50 58.788 59.821 -1.033 1
1 487 . 15 1 1 A 41 41 LYS CB C 50 32.726 32.367 0.359 1
1 491 . 15 1 1 A 41 41 LYS N N 50 119.815 119.191 0.624 1
1 492 . 15 1 1 A 42 42 GLU H H 51 7.972 7.659 0.313 1
1 493 . 15 1 1 A 42 42 GLU HA H 51 4.238 4.326 -0.088 1
1 498 . 15 1 1 A 42 42 GLU C C 51 177.837 177.696 0.141 1
1 499 . 15 1 1 A 42 42 GLU CA C 51 56.913 56.461 0.452 1
1 500 . 15 1 1 A 42 42 GLU CB C 51 30.660 30.394 0.266 1
1 502 . 15 1 1 A 42 42 GLU N N 51 116.691 115.917 0.774 1
1 503 . 15 1 1 A 43 43 GLY H H 52 8.022 8.336 -0.314 1
1 504 . 15 1 1 A 43 43 GLY HA2 H 52 4.051 3.881 0.170 1
1 505 . 15 1 1 A 43 43 GLY HA3 H 52 3.778 3.931 -0.153 1
1 506 . 15 1 1 A 43 43 GLY C C 52 174.278 174.214 0.064 1
1 507 . 15 1 1 A 43 43 GLY CA C 52 46.037 46.525 -0.488 1
1 508 . 15 1 1 A 43 43 GLY N N 52 108.181 108.435 -0.254 1
1 509 . 15 1 1 A 44 44 TYR H H 53 7.184 7.866 -0.682 1
1 510 . 15 1 1 A 44 44 TYR HA H 53 4.787 4.597 0.190 1
1 517 . 15 1 1 A 44 44 TYR C C 53 174.725 174.976 -0.251 1
1 518 . 15 1 1 A 44 44 TYR CA C 53 55.976 57.618 -1.642 1
1 519 . 15 1 1 A 44 44 TYR CB C 53 38.913 39.733 -0.820 1
1 522 . 15 1 1 A 44 44 TYR N N 53 117.550 119.002 -1.452 1
1 523 . 15 1 1 A 45 45 ARG H H 54 7.969 8.647 -0.678 1
1 524 . 15 1 1 A 45 45 ARG HA H 54 4.412 4.385 0.027 1
1 531 . 15 1 1 A 45 45 ARG C C 54 174.902 175.956 -1.054 1
1 532 . 15 1 1 A 45 45 ARG CA C 54 54.849 56.533 -1.684 1
1 533 . 15 1 1 A 45 45 ARG CB C 54 32.164 30.597 1.567 1
1 536 . 15 1 1 A 45 45 ARG N N 54 120.614 119.731 0.883 1
1 537 . 15 1 1 A 46 46 CYS H H 55 8.579 8.596 -0.017 1
1 538 . 15 1 1 A 46 46 CYS HA H 55 4.236 4.316 -0.080 1
1 541 . 15 1 1 A 46 46 CYS CA C 55 57.477 57.698 -0.221 1
1 542 . 15 1 1 A 46 46 CYS CB C 55 30.849 27.475 3.374 1
1 543 . 15 1 1 A 46 46 CYS N N 55 123.189 124.181 -0.992 1
1 544 . 15 1 1 A 47 47 PRO HA H 56 4.459 4.311 0.148 1
1 551 . 15 1 1 A 47 47 PRO C C 56 178.242 178.825 -0.583 1
1 552 . 15 1 1 A 47 47 PRO CA C 56 64.225 65.119 -0.894 1
1 553 . 15 1 1 A 47 47 PRO CB C 56 32.913 32.139 0.774 1
1 556 . 15 1 1 A 48 48 LEU H H 57 8.285 7.411 0.874 1
1 557 . 15 1 1 A 48 48 LEU HA H 57 4.191 4.470 -0.279 1
1 567 . 15 1 1 A 48 48 LEU C C 57 178.783 179.439 -0.656 1
1 568 . 15 1 1 A 48 48 LEU CA C 57 55.789 57.013 -1.224 1
1 569 . 15 1 1 A 48 48 LEU CB C 57 41.163 40.543 0.620 1
1 573 . 15 1 1 A 48 48 LEU N N 57 119.589 116.692 2.897 1
1 574 . 15 1 1 A 49 49 CYS H H 58 7.949 7.872 0.077 1
1 575 . 15 1 1 A 49 49 CYS HA H 58 4.281 4.424 -0.143 1
1 578 . 15 1 1 A 49 49 CYS C C 58 176.088 176.271 -0.183 1
1 579 . 15 1 1 A 49 49 CYS CA C 58 63.475 62.555 0.920 1
1 580 . 15 1 1 A 49 49 CYS CB C 58 30.099 27.588 2.511 1
1 581 . 15 1 1 A 49 49 CYS N N 58 123.132 118.186 4.946 1
1 582 . 15 1 1 A 50 50 MET H H 59 7.717 8.100 -0.383 1
1 583 . 15 1 1 A 50 50 MET HA H 59 4.332 4.656 -0.324 1
1 588 . 15 1 1 A 50 50 MET C C 59 175.870 175.569 0.301 1
1 589 . 15 1 1 A 50 50 MET CA C 59 55.601 56.275 -0.674 1
1 590 . 15 1 1 A 50 50 MET CB C 59 32.164 34.387 -2.223 1
1 592 . 15 1 1 A 50 50 MET N N 59 118.057 118.335 -0.278 1
1 593 . 15 1 1 A 51 51 HIS H H 60 7.965 8.024 -0.059 1
1 594 . 15 1 1 A 51 51 HIS HA H 60 4.709 4.739 -0.030 1
1 598 . 15 1 1 A 51 51 HIS C C 60 174.267 172.269 1.998 1
1 599 . 15 1 1 A 51 51 HIS CA C 60 55.601 56.174 -0.573 1
1 600 . 15 1 1 A 51 51 HIS CB C 60 30.661 32.786 -2.125 1
1 602 . 15 1 1 A 51 51 HIS N N 60 119.437 117.215 2.222 1
1 12 . 16 1 1 A 2 2 ASN H H 11 8.476 7.805 0.671 1
1 13 . 16 1 1 A 2 2 ASN HA H 11 4.704 4.973 -0.269 1
1 16 . 16 1 1 A 2 2 ASN C C 11 175.058 174.989 0.069 1
1 17 . 16 1 1 A 2 2 ASN CA C 11 53.375 53.029 0.346 1
1 18 . 16 1 1 A 2 2 ASN CB C 11 38.913 40.716 -1.803 1
1 19 . 16 1 1 A 2 2 ASN N N 11 119.245 117.511 1.734 1
1 20 . 16 1 1 A 3 3 VAL H H 12 8.023 8.450 -0.427 1
1 21 . 16 1 1 A 3 3 VAL HA H 12 4.171 4.213 -0.042 1
1 29 . 16 1 1 A 3 3 VAL C C 12 176.120 175.816 0.304 1
1 30 . 16 1 1 A 3 3 VAL CA C 12 61.975 63.517 -1.542 1
1 31 . 16 1 1 A 3 3 VAL CB C 12 32.913 32.684 0.229 1
1 34 . 16 1 1 A 3 3 VAL N N 12 119.852 124.265 -4.413 1
1 35 . 16 1 1 A 4 4 SER H H 13 8.384 7.569 0.815 1
1 36 . 16 1 1 A 4 4 SER HA H 13 4.452 4.411 0.041 1
1 39 . 16 1 1 A 4 4 SER C C 13 174.153 174.419 -0.266 1
1 40 . 16 1 1 A 4 4 SER CA C 13 58.226 58.832 -0.606 1
1 41 . 16 1 1 A 4 4 SER CB C 13 63.663 63.448 0.215 1
1 42 . 16 1 1 A 4 4 SER N N 13 119.429 114.184 5.245 1
1 43 . 16 1 1 A 5 5 GLN H H 14 8.299 8.513 -0.214 1
1 44 . 16 1 1 A 5 5 GLN HA H 14 4.332 5.223 -0.891 1
1 49 . 16 1 1 A 5 5 GLN C C 14 175.152 173.799 1.353 1
1 50 . 16 1 1 A 5 5 GLN CA C 14 56.164 54.552 1.612 1
1 51 . 16 1 1 A 5 5 GLN CB C 14 29.724 33.100 -3.376 1
1 53 . 16 1 1 A 5 5 GLN N N 14 123.721 122.600 1.121 1
1 54 . 16 1 1 A 6 6 GLN H H 15 8.692 8.817 -0.125 1
1 55 . 16 1 1 A 6 6 GLN HA H 15 4.343 5.092 -0.749 1
1 60 . 16 1 1 A 6 6 GLN C C 15 175.193 174.734 0.459 1
1 61 . 16 1 1 A 6 6 GLN CA C 15 56.539 54.616 1.923 1
1 62 . 16 1 1 A 6 6 GLN CB C 15 30.474 32.133 -1.659 1
1 64 . 16 1 1 A 6 6 GLN N N 15 124.240 119.658 4.582 1
1 65 . 16 1 1 A 7 7 ASN H H 16 8.291 9.019 -0.728 1
1 66 . 16 1 1 A 7 7 ASN HA H 16 5.049 5.531 -0.482 1
1 69 . 16 1 1 A 7 7 ASN C C 16 175.141 173.745 1.396 1
1 70 . 16 1 1 A 7 7 ASN CA C 16 52.224 51.654 0.570 1
1 71 . 16 1 1 A 7 7 ASN CB C 16 40.600 41.403 -0.803 1
1 72 . 16 1 1 A 7 7 ASN N N 16 116.809 117.627 -0.818 1
1 73 . 16 1 1 A 8 8 CYS H H 17 8.737 8.972 -0.235 1
1 74 . 16 1 1 A 8 8 CYS HA H 17 4.584 4.665 -0.081 1
1 77 . 16 1 1 A 8 8 CYS CA C 17 56.164 56.312 -0.148 1
1 78 . 16 1 1 A 8 8 CYS CB C 17 31.976 29.325 2.651 1
1 79 . 16 1 1 A 8 8 CYS N N 17 127.386 122.134 5.252 1
1 80 . 16 1 1 A 9 9 PRO HA H 18 4.457 4.545 -0.088 1
1 87 . 16 1 1 A 9 9 PRO C C 18 175.922 177.548 -1.626 1
1 88 . 16 1 1 A 9 9 PRO CA C 18 63.663 63.927 -0.264 1
1 89 . 16 1 1 A 9 9 PRO CB C 18 32.913 31.919 0.994 1
1 92 . 16 1 1 A 10 10 ILE H H 19 8.471 8.159 0.312 1
1 93 . 16 1 1 A 10 10 ILE HA H 19 4.171 4.018 0.153 1
1 103 . 16 1 1 A 10 10 ILE C C 19 175.891 177.220 -1.329 1
1 104 . 16 1 1 A 10 10 ILE CA C 19 62.350 63.390 -1.040 1
1 105 . 16 1 1 A 10 10 ILE CB C 19 37.226 38.255 -1.029 1
1 109 . 16 1 1 A 10 10 ILE N N 19 121.858 116.249 5.609 1
1 110 . 16 1 1 A 11 11 CYS H H 20 7.443 7.292 0.151 1
1 111 . 16 1 1 A 11 11 CYS HA H 20 4.841 4.647 0.194 1
1 114 . 16 1 1 A 11 11 CYS C C 20 175.683 174.658 1.025 1
1 115 . 16 1 1 A 11 11 CYS CA C 20 57.851 58.450 -0.599 1
1 116 . 16 1 1 A 11 11 CYS CB C 20 31.601 29.430 2.171 1
1 117 . 16 1 1 A 11 11 CYS N N 20 115.827 116.732 -0.905 1
1 118 . 16 1 1 A 12 12 LEU H H 21 7.940 7.719 0.221 1
1 119 . 16 1 1 A 12 12 LEU HA H 21 4.241 4.150 0.091 1
1 129 . 16 1 1 A 12 12 LEU C C 21 176.286 175.356 0.930 1
1 130 . 16 1 1 A 12 12 LEU CA C 21 56.726 55.465 1.261 1
1 131 . 16 1 1 A 12 12 LEU CB C 21 38.163 40.709 -2.546 1
1 135 . 16 1 1 A 12 12 LEU N N 21 118.743 118.474 0.269 1
1 136 . 16 1 1 A 13 13 GLU H H 22 8.545 7.692 0.853 1
1 137 . 16 1 1 A 13 13 GLU HA H 22 4.700 4.739 -0.039 1
1 142 . 16 1 1 A 13 13 GLU C C 22 176.910 173.763 3.147 1
1 143 . 16 1 1 A 13 13 GLU CA C 22 55.224 55.288 -0.064 1
1 144 . 16 1 1 A 13 13 GLU CB C 22 31.414 33.427 -2.013 1
1 146 . 16 1 1 A 13 13 GLU N N 22 119.659 121.244 -1.585 1
1 147 . 16 1 1 A 14 14 ASP H H 23 8.705 8.725 -0.020 1
1 148 . 16 1 1 A 14 14 ASP HA H 23 4.732 5.078 -0.346 1
1 151 . 16 1 1 A 14 14 ASP C C 23 177.077 175.057 2.020 1
1 152 . 16 1 1 A 14 14 ASP CA C 23 55.414 53.750 1.664 1
1 153 . 16 1 1 A 14 14 ASP CB C 23 42.288 42.161 0.127 1
1 154 . 16 1 1 A 14 14 ASP N N 23 121.813 121.579 0.234 1
1 155 . 16 1 1 A 15 15 ILE H H 24 8.603 8.451 0.152 1
1 156 . 16 1 1 A 15 15 ILE HA H 24 4.173 4.913 -0.740 1
1 166 . 16 1 1 A 15 15 ILE C C 24 174.920 174.904 0.016 1
1 167 . 16 1 1 A 15 15 ILE CA C 24 59.726 59.976 -0.250 1
1 168 . 16 1 1 A 15 15 ILE CB C 24 40.413 42.341 -1.928 1
1 172 . 16 1 1 A 15 15 ILE N N 24 123.686 124.972 -1.286 1
1 173 . 16 1 1 A 16 16 HIS H H 25 8.581 8.851 -0.270 1
1 174 . 16 1 1 A 16 16 HIS HA H 25 4.685 4.925 -0.240 1
1 178 . 16 1 1 A 16 16 HIS C C 25 176.609 175.862 0.747 1
1 179 . 16 1 1 A 16 16 HIS CA C 25 56.913 54.908 2.005 1
1 180 . 16 1 1 A 16 16 HIS CB C 25 30.474 33.715 -3.241 1
1 182 . 16 1 1 A 16 16 HIS N N 25 123.042 124.552 -1.510 1
1 183 . 16 1 1 A 17 17 THR H H 26 8.241 8.797 -0.556 1
1 184 . 16 1 1 A 17 17 THR HA H 26 4.303 4.186 0.117 1
1 189 . 16 1 1 A 17 17 THR C C 26 175.037 174.885 0.152 1
1 190 . 16 1 1 A 17 17 THR CA C 26 62.913 63.661 -0.748 1
1 191 . 16 1 1 A 17 17 THR CB C 26 68.912 69.150 -0.238 1
1 193 . 16 1 1 A 17 17 THR N N 26 114.128 117.182 -3.054 1
1 194 . 16 1 1 A 18 18 SER H H 27 8.160 7.863 0.297 1
1 195 . 16 1 1 A 18 18 SER HA H 27 4.514 4.416 0.098 1
1 198 . 16 1 1 A 18 18 SER C C 27 175.058 174.108 0.950 1
1 199 . 16 1 1 A 18 18 SER CA C 27 58.413 59.188 -0.775 1
1 200 . 16 1 1 A 18 18 SER CB C 27 63.100 62.426 0.674 1
1 201 . 16 1 1 A 18 18 SER N N 27 116.330 116.549 -0.219 1
1 202 . 16 1 1 A 19 19 ARG H H 28 8.200 8.393 -0.193 1
1 203 . 16 1 1 A 19 19 ARG HA H 28 4.233 4.532 -0.299 1
1 210 . 16 1 1 A 19 19 ARG C C 28 176.463 178.289 -1.826 1
1 211 . 16 1 1 A 19 19 ARG CA C 28 57.293 58.481 -1.188 1
1 212 . 16 1 1 A 19 19 ARG CB C 28 30.474 29.950 0.524 1
1 215 . 16 1 1 A 19 19 ARG N N 28 121.067 127.149 -6.082 1
1 216 . 16 1 1 A 20 20 VAL H H 29 7.789 7.981 -0.192 1
1 217 . 16 1 1 A 20 20 VAL HA H 29 4.294 3.611 0.683 1
1 225 . 16 1 1 A 20 20 VAL C C 29 175.599 178.066 -2.467 1
1 226 . 16 1 1 A 20 20 VAL CA C 29 61.601 65.960 -4.359 1
1 227 . 16 1 1 A 20 20 VAL CB C 29 33.476 31.738 1.738 1
1 229 . 16 1 1 A 20 20 VAL N N 29 117.329 120.156 -2.827 1
1 230 . 16 1 1 A 21 21 VAL H H 30 8.068 7.321 0.747 1
1 231 . 16 1 1 A 21 21 VAL HA H 30 4.253 3.986 0.267 1
1 239 . 16 1 1 A 21 21 VAL C C 30 175.589 176.211 -0.622 1
1 240 . 16 1 1 A 21 21 VAL CA C 30 62.163 64.708 -2.545 1
1 241 . 16 1 1 A 21 21 VAL CB C 30 32.164 32.881 -0.717 1
1 244 . 16 1 1 A 21 21 VAL N N 30 121.049 117.432 3.617 1
1 245 . 16 1 1 A 22 22 ALA H H 31 8.303 7.865 0.438 1
1 246 . 16 1 1 A 22 22 ALA HA H 31 4.609 4.450 0.159 1
1 250 . 16 1 1 A 22 22 ALA C C 31 176.307 176.950 -0.643 1
1 251 . 16 1 1 A 22 22 ALA CA C 31 51.662 51.263 0.399 1
1 252 . 16 1 1 A 22 22 ALA CB C 31 20.725 19.735 0.990 1
1 253 . 16 1 1 A 22 22 ALA N N 31 127.856 123.435 4.421 1
1 254 . 16 1 1 A 23 23 HIS H H 32 9.100 8.887 0.213 1
1 255 . 16 1 1 A 23 23 HIS HA H 32 4.488 4.483 0.005 1
1 259 . 16 1 1 A 23 23 HIS C C 32 173.154 174.211 -1.057 1
1 260 . 16 1 1 A 23 23 HIS CA C 32 56.164 57.165 -1.001 1
1 261 . 16 1 1 A 23 23 HIS CB C 32 33.476 30.436 3.040 1
1 263 . 16 1 1 A 23 23 HIS N N 32 121.613 125.248 -3.635 1
1 264 . 16 1 1 A 24 24 VAL H H 33 7.498 8.228 -0.730 1
1 265 . 16 1 1 A 24 24 VAL HA H 33 4.130 4.545 -0.415 1
1 273 . 16 1 1 A 24 24 VAL C C 33 175.859 176.117 -0.258 1
1 274 . 16 1 1 A 24 24 VAL CA C 33 61.038 61.906 -0.868 1
1 275 . 16 1 1 A 24 24 VAL CB C 33 31.976 32.136 -0.160 1
1 278 . 16 1 1 A 24 24 VAL N N 33 126.760 127.149 -0.389 1
1 279 . 16 1 1 A 25 25 LEU H H 34 8.426 9.037 -0.611 1
1 280 . 16 1 1 A 25 25 LEU HA H 34 4.461 4.528 -0.067 1
1 290 . 16 1 1 A 25 25 LEU CA C 34 54.661 53.670 0.991 1
1 291 . 16 1 1 A 25 25 LEU CB C 34 43.787 41.172 2.615 1
1 295 . 16 1 1 A 25 25 LEU N N 34 127.479 130.280 -2.801 1
1 296 . 16 1 1 A 26 26 PRO HA H 35 4.302 4.510 -0.208 1
1 303 . 16 1 1 A 26 26 PRO C C 35 176.494 177.195 -0.701 1
1 304 . 16 1 1 A 26 26 PRO CA C 35 65.350 64.327 1.023 1
1 305 . 16 1 1 A 26 26 PRO CB C 35 31.789 31.688 0.101 1
1 308 . 16 1 1 A 27 27 CYS H H 36 7.266 7.671 -0.405 1
1 309 . 16 1 1 A 27 27 CYS HA H 36 4.407 4.537 -0.130 1
1 312 . 16 1 1 A 27 27 CYS C C 36 176.016 174.627 1.389 1
1 313 . 16 1 1 A 27 27 CYS CA C 36 56.726 58.414 -1.688 1
1 314 . 16 1 1 A 27 27 CYS CB C 36 31.601 27.764 3.837 1
1 315 . 16 1 1 A 27 27 CYS N N 36 111.241 116.919 -5.678 1
1 316 . 16 1 1 A 28 28 GLY H H 37 8.211 8.001 0.210 1
1 317 . 16 1 1 A 28 28 GLY HA2 H 37 4.122 3.764 0.358 1
1 318 . 16 1 1 A 28 28 GLY HA3 H 37 3.329 3.838 -0.509 1
1 319 . 16 1 1 A 28 28 GLY C C 37 173.903 174.399 -0.496 1
1 320 . 16 1 1 A 28 28 GLY CA C 37 44.725 45.266 -0.541 1
1 321 . 16 1 1 A 28 28 GLY N N 37 111.309 109.627 1.682 1
1 322 . 16 1 1 A 29 29 HIS H H 38 8.109 7.675 0.434 1
1 323 . 16 1 1 A 29 29 HIS HA H 38 4.622 4.648 -0.026 1
1 327 . 16 1 1 A 29 29 HIS C C 38 173.029 174.593 -1.564 1
1 328 . 16 1 1 A 29 29 HIS CA C 38 59.351 55.906 3.445 1
1 329 . 16 1 1 A 29 29 HIS CB C 38 31.224 31.814 -0.590 1
1 331 . 16 1 1 A 29 29 HIS N N 38 121.624 118.851 2.773 1
1 332 . 16 1 1 A 30 30 LEU H H 39 8.923 8.599 0.324 1
1 333 . 16 1 1 A 30 30 LEU HA H 39 5.112 5.189 -0.077 1
1 343 . 16 1 1 A 30 30 LEU C C 39 176.380 175.597 0.783 1
1 344 . 16 1 1 A 30 30 LEU CA C 39 54.474 53.520 0.954 1
1 345 . 16 1 1 A 30 30 LEU CB C 39 45.662 44.923 0.739 1
1 349 . 16 1 1 A 30 30 LEU N N 39 120.785 121.114 -0.329 1
1 350 . 16 1 1 A 31 31 LEU H H 40 8.586 8.487 0.099 1
1 351 . 16 1 1 A 31 31 LEU HA H 40 5.144 4.749 0.395 1
1 361 . 16 1 1 A 31 31 LEU C C 40 177.701 175.495 2.206 1
1 362 . 16 1 1 A 31 31 LEU CA C 40 53.161 53.873 -0.712 1
1 363 . 16 1 1 A 31 31 LEU CB C 40 47.350 45.128 2.222 1
1 366 . 16 1 1 A 31 31 LEU N N 40 117.837 119.893 -2.056 1
1 367 . 16 1 1 A 32 32 HIS H H 41 7.726 7.793 -0.067 1
1 368 . 16 1 1 A 32 32 HIS HA H 41 4.693 4.726 -0.033 1
1 372 . 16 1 1 A 32 32 HIS C C 41 176.994 176.376 0.618 1
1 373 . 16 1 1 A 32 32 HIS CA C 41 59.913 55.233 4.680 1
1 374 . 16 1 1 A 32 32 HIS CB C 41 31.036 31.573 -0.537 1
1 376 . 16 1 1 A 32 32 HIS N N 41 118.242 116.121 2.121 1
1 377 . 16 1 1 A 33 33 ARG H H 42 9.564 9.175 0.389 1
1 378 . 16 1 1 A 33 33 ARG HA H 42 4.055 3.923 0.132 1
1 385 . 16 1 1 A 33 33 ARG C C 42 178.388 178.462 -0.074 1
1 386 . 16 1 1 A 33 33 ARG CA C 42 60.476 60.206 0.270 1
1 387 . 16 1 1 A 33 33 ARG CB C 42 29.536 30.181 -0.645 1
1 390 . 16 1 1 A 33 33 ARG N N 42 124.900 120.536 4.364 1
1 391 . 16 1 1 A 34 34 THR H H 43 8.386 8.399 -0.013 1
1 392 . 16 1 1 A 34 34 THR HA H 43 4.101 3.914 0.187 1
1 397 . 16 1 1 A 34 34 THR C C 43 177.285 177.101 0.184 1
1 398 . 16 1 1 A 34 34 THR CA C 43 64.788 66.853 -2.065 1
1 399 . 16 1 1 A 34 34 THR CB C 43 67.787 68.313 -0.526 1
1 401 . 16 1 1 A 34 34 THR N N 43 109.798 115.274 -5.476 1
1 402 . 16 1 1 A 35 35 CYS H H 44 6.825 8.382 -1.557 1
1 403 . 16 1 1 A 35 35 CYS HA H 44 4.066 4.626 -0.560 1
1 406 . 16 1 1 A 35 35 CYS C C 44 176.671 177.129 -0.458 1
1 407 . 16 1 1 A 35 35 CYS CA C 44 63.100 62.834 0.266 1
1 408 . 16 1 1 A 35 35 CYS CB C 44 28.787 27.296 1.491 1
1 409 . 16 1 1 A 35 35 CYS N N 44 123.057 118.246 4.811 1
1 410 . 16 1 1 A 36 36 TYR H H 45 8.484 8.216 0.268 1
1 411 . 16 1 1 A 36 36 TYR HA H 45 4.200 4.016 0.184 1
1 418 . 16 1 1 A 36 36 TYR C C 45 176.140 177.744 -1.604 1
1 419 . 16 1 1 A 36 36 TYR CA C 45 60.101 61.411 -1.310 1
1 420 . 16 1 1 A 36 36 TYR CB C 45 37.601 38.532 -0.931 1
1 423 . 16 1 1 A 36 36 TYR N N 45 119.972 123.308 -3.336 1
1 424 . 16 1 1 A 37 37 GLU H H 46 7.925 8.004 -0.079 1
1 425 . 16 1 1 A 37 37 GLU HA H 46 3.546 3.553 -0.007 1
1 430 . 16 1 1 A 37 37 GLU C C 46 179.574 178.785 0.789 1
1 431 . 16 1 1 A 37 37 GLU CA C 46 59.351 59.832 -0.481 1
1 432 . 16 1 1 A 37 37 GLU CB C 46 28.787 29.557 -0.770 1
1 434 . 16 1 1 A 37 37 GLU N N 46 117.277 118.700 -1.423 1
1 435 . 16 1 1 A 38 38 GLU H H 47 7.598 8.137 -0.539 1
1 436 . 16 1 1 A 38 38 GLU HA H 47 4.041 4.042 -0.001 1
1 441 . 16 1 1 A 38 38 GLU C C 47 177.743 178.816 -1.073 1
1 442 . 16 1 1 A 38 38 GLU CA C 47 58.788 59.169 -0.381 1
1 443 . 16 1 1 A 38 38 GLU CB C 47 29.349 29.111 0.238 1
1 445 . 16 1 1 A 38 38 GLU N N 47 119.258 120.751 -1.493 1
1 446 . 16 1 1 A 39 39 MET H H 48 7.918 8.107 -0.189 1
1 447 . 16 1 1 A 39 39 MET HA H 48 3.612 4.422 -0.810 1
1 452 . 16 1 1 A 39 39 MET C C 48 178.232 178.481 -0.249 1
1 453 . 16 1 1 A 39 39 MET CA C 48 58.226 58.524 -0.298 1
1 454 . 16 1 1 A 39 39 MET CB C 48 32.351 32.502 -0.151 1
1 456 . 16 1 1 A 39 39 MET N N 48 120.952 119.542 1.410 1
1 457 . 16 1 1 A 40 40 LEU H H 49 8.042 8.059 -0.017 1
1 458 . 16 1 1 A 40 40 LEU HA H 49 3.867 3.963 -0.096 1
1 468 . 16 1 1 A 40 40 LEU C C 49 179.543 178.344 1.199 1
1 469 . 16 1 1 A 40 40 LEU CA C 49 56.726 57.594 -0.868 1
1 470 . 16 1 1 A 40 40 LEU CB C 49 41.913 41.083 0.830 1
1 474 . 16 1 1 A 40 40 LEU N N 49 119.191 121.136 -1.945 1
1 475 . 16 1 1 A 41 41 LYS H H 50 7.604 8.200 -0.596 1
1 476 . 16 1 1 A 41 41 LYS HA H 50 3.957 3.881 0.076 1
1 485 . 16 1 1 A 41 41 LYS C C 50 178.305 178.980 -0.675 1
1 486 . 16 1 1 A 41 41 LYS CA C 50 58.788 59.545 -0.757 1
1 487 . 16 1 1 A 41 41 LYS CB C 50 32.726 32.108 0.618 1
1 491 . 16 1 1 A 41 41 LYS N N 50 119.815 119.057 0.758 1
1 492 . 16 1 1 A 42 42 GLU H H 51 7.972 7.513 0.459 1
1 493 . 16 1 1 A 42 42 GLU HA H 51 4.238 4.167 0.071 1
1 498 . 16 1 1 A 42 42 GLU C C 51 177.837 177.696 0.141 1
1 499 . 16 1 1 A 42 42 GLU CA C 51 56.913 58.115 -1.202 1
1 500 . 16 1 1 A 42 42 GLU CB C 51 30.660 29.952 0.708 1
1 502 . 16 1 1 A 42 42 GLU N N 51 116.691 116.181 0.510 1
1 503 . 16 1 1 A 43 43 GLY H H 52 8.022 8.478 -0.456 1
1 504 . 16 1 1 A 43 43 GLY HA2 H 52 4.051 3.912 0.139 1
1 505 . 16 1 1 A 43 43 GLY HA3 H 52 3.778 3.926 -0.148 1
1 506 . 16 1 1 A 43 43 GLY C C 52 174.278 174.011 0.267 1
1 507 . 16 1 1 A 43 43 GLY CA C 52 46.037 46.955 -0.918 1
1 508 . 16 1 1 A 43 43 GLY N N 52 108.181 107.866 0.315 1
1 509 . 16 1 1 A 44 44 TYR H H 53 7.184 8.005 -0.821 1
1 510 . 16 1 1 A 44 44 TYR HA H 53 4.787 5.024 -0.237 1
1 517 . 16 1 1 A 44 44 TYR C C 53 174.725 175.034 -0.309 1
1 518 . 16 1 1 A 44 44 TYR CA C 53 55.976 56.187 -0.211 1
1 519 . 16 1 1 A 44 44 TYR CB C 53 38.913 40.985 -2.072 1
1 522 . 16 1 1 A 44 44 TYR N N 53 117.550 116.952 0.598 1
1 523 . 16 1 1 A 45 45 ARG H H 54 7.969 8.461 -0.492 1
1 524 . 16 1 1 A 45 45 ARG HA H 54 4.412 4.115 0.297 1
1 531 . 16 1 1 A 45 45 ARG C C 54 174.902 175.239 -0.337 1
1 532 . 16 1 1 A 45 45 ARG CA C 54 54.849 56.282 -1.433 1
1 533 . 16 1 1 A 45 45 ARG CB C 54 32.164 30.512 1.652 1
1 536 . 16 1 1 A 45 45 ARG N N 54 120.614 117.728 2.886 1
1 537 . 16 1 1 A 46 46 CYS H H 55 8.579 8.546 0.033 1
1 538 . 16 1 1 A 46 46 CYS HA H 55 4.236 4.166 0.070 1
1 541 . 16 1 1 A 46 46 CYS CA C 55 57.477 57.637 -0.160 1
1 542 . 16 1 1 A 46 46 CYS CB C 55 30.849 27.225 3.624 1
1 543 . 16 1 1 A 46 46 CYS N N 55 123.189 121.860 1.329 1
1 544 . 16 1 1 A 47 47 PRO HA H 56 4.459 4.255 0.204 1
1 551 . 16 1 1 A 47 47 PRO C C 56 178.242 178.374 -0.132 1
1 552 . 16 1 1 A 47 47 PRO CA C 56 64.225 64.553 -0.328 1
1 553 . 16 1 1 A 47 47 PRO CB C 56 32.913 32.100 0.813 1
1 556 . 16 1 1 A 48 48 LEU H H 57 8.285 7.336 0.949 1
1 557 . 16 1 1 A 48 48 LEU HA H 57 4.191 3.855 0.336 1
1 567 . 16 1 1 A 48 48 LEU C C 57 178.783 178.930 -0.147 1
1 568 . 16 1 1 A 48 48 LEU CA C 57 55.789 56.927 -1.138 1
1 569 . 16 1 1 A 48 48 LEU CB C 57 41.163 40.598 0.565 1
1 573 . 16 1 1 A 48 48 LEU N N 57 119.589 117.141 2.448 1
1 574 . 16 1 1 A 49 49 CYS H H 58 7.949 7.897 0.052 1
1 575 . 16 1 1 A 49 49 CYS HA H 58 4.281 4.018 0.263 1
1 578 . 16 1 1 A 49 49 CYS C C 58 176.088 176.192 -0.104 1
1 579 . 16 1 1 A 49 49 CYS CA C 58 63.475 62.681 0.794 1
1 580 . 16 1 1 A 49 49 CYS CB C 58 30.099 26.600 3.499 1
1 581 . 16 1 1 A 49 49 CYS N N 58 123.132 118.253 4.879 1
1 582 . 16 1 1 A 50 50 MET H H 59 7.717 7.479 0.238 1
1 583 . 16 1 1 A 50 50 MET HA H 59 4.332 4.502 -0.170 1
1 588 . 16 1 1 A 50 50 MET C C 59 175.870 175.540 0.330 1
1 589 . 16 1 1 A 50 50 MET CA C 59 55.601 55.397 0.204 1
1 590 . 16 1 1 A 50 50 MET CB C 59 32.164 33.242 -1.078 1
1 592 . 16 1 1 A 50 50 MET N N 59 118.057 117.608 0.449 1
1 593 . 16 1 1 A 51 51 HIS H H 60 7.965 7.748 0.217 1
1 594 . 16 1 1 A 51 51 HIS HA H 60 4.709 4.053 0.656 1
1 598 . 16 1 1 A 51 51 HIS C C 60 174.267 175.122 -0.855 1
1 599 . 16 1 1 A 51 51 HIS CA C 60 55.601 57.067 -1.466 1
1 600 . 16 1 1 A 51 51 HIS CB C 60 30.661 26.937 3.724 1
1 602 . 16 1 1 A 51 51 HIS N N 60 119.437 115.938 3.499 1
1 12 . 17 1 1 A 2 2 ASN H H 11 8.476 8.810 -0.334 1
1 13 . 17 1 1 A 2 2 ASN HA H 11 4.704 5.150 -0.446 1
1 16 . 17 1 1 A 2 2 ASN C C 11 175.058 175.949 -0.891 1
1 17 . 17 1 1 A 2 2 ASN CA C 11 53.375 51.779 1.596 1
1 18 . 17 1 1 A 2 2 ASN CB C 11 38.913 39.717 -0.804 1
1 19 . 17 1 1 A 2 2 ASN N N 11 119.245 122.886 -3.641 1
1 20 . 17 1 1 A 3 3 VAL H H 12 8.023 8.463 -0.440 1
1 21 . 17 1 1 A 3 3 VAL HA H 12 4.171 4.485 -0.314 1
1 29 . 17 1 1 A 3 3 VAL C C 12 176.120 177.447 -1.327 1
1 30 . 17 1 1 A 3 3 VAL CA C 12 61.975 61.389 0.586 1
1 31 . 17 1 1 A 3 3 VAL CB C 12 32.913 32.119 0.794 1
1 34 . 17 1 1 A 3 3 VAL N N 12 119.852 120.236 -0.384 1
1 35 . 17 1 1 A 4 4 SER H H 13 8.384 7.589 0.795 1
1 36 . 17 1 1 A 4 4 SER HA H 13 4.452 4.341 0.111 1
1 39 . 17 1 1 A 4 4 SER C C 13 174.153 174.216 -0.063 1
1 40 . 17 1 1 A 4 4 SER CA C 13 58.226 60.779 -2.553 1
1 41 . 17 1 1 A 4 4 SER CB C 13 63.663 63.581 0.082 1
1 42 . 17 1 1 A 4 4 SER N N 13 119.429 117.473 1.956 1
1 43 . 17 1 1 A 5 5 GLN H H 14 8.299 7.659 0.640 1
1 44 . 17 1 1 A 5 5 GLN HA H 14 4.332 4.746 -0.414 1
1 49 . 17 1 1 A 5 5 GLN C C 14 175.152 175.532 -0.380 1
1 50 . 17 1 1 A 5 5 GLN CA C 14 56.164 54.357 1.807 1
1 51 . 17 1 1 A 5 5 GLN CB C 14 29.724 31.134 -1.410 1
1 53 . 17 1 1 A 5 5 GLN N N 14 123.721 119.395 4.326 1
1 54 . 17 1 1 A 6 6 GLN H H 15 8.692 8.564 0.128 1
1 55 . 17 1 1 A 6 6 GLN HA H 15 4.343 4.586 -0.243 1
1 60 . 17 1 1 A 6 6 GLN C C 15 175.193 174.736 0.457 1
1 61 . 17 1 1 A 6 6 GLN CA C 15 56.539 55.453 1.086 1
1 62 . 17 1 1 A 6 6 GLN CB C 15 30.474 28.966 1.508 1
1 64 . 17 1 1 A 6 6 GLN N N 15 124.240 120.768 3.472 1
1 65 . 17 1 1 A 7 7 ASN H H 16 8.291 8.618 -0.327 1
1 66 . 17 1 1 A 7 7 ASN HA H 16 5.049 4.948 0.101 1
1 69 . 17 1 1 A 7 7 ASN C C 16 175.141 175.173 -0.032 1
1 70 . 17 1 1 A 7 7 ASN CA C 16 52.224 53.234 -1.010 1
1 71 . 17 1 1 A 7 7 ASN CB C 16 40.600 39.489 1.111 1
1 72 . 17 1 1 A 7 7 ASN N N 16 116.809 122.972 -6.163 1
1 73 . 17 1 1 A 8 8 CYS H H 17 8.737 9.020 -0.283 1
1 74 . 17 1 1 A 8 8 CYS HA H 17 4.584 4.537 0.047 1
1 77 . 17 1 1 A 8 8 CYS CA C 17 56.164 56.883 -0.719 1
1 78 . 17 1 1 A 8 8 CYS CB C 17 31.976 28.894 3.082 1
1 79 . 17 1 1 A 8 8 CYS N N 17 127.386 122.259 5.127 1
1 80 . 17 1 1 A 9 9 PRO HA H 18 4.457 4.457 0.000 1
1 87 . 17 1 1 A 9 9 PRO C C 18 175.922 177.356 -1.434 1
1 88 . 17 1 1 A 9 9 PRO CA C 18 63.663 63.987 -0.324 1
1 89 . 17 1 1 A 9 9 PRO CB C 18 32.913 32.178 0.735 1
1 92 . 17 1 1 A 10 10 ILE H H 19 8.471 8.246 0.225 1
1 93 . 17 1 1 A 10 10 ILE HA H 19 4.171 4.047 0.124 1
1 103 . 17 1 1 A 10 10 ILE C C 19 175.891 177.132 -1.241 1
1 104 . 17 1 1 A 10 10 ILE CA C 19 62.350 63.361 -1.011 1
1 105 . 17 1 1 A 10 10 ILE CB C 19 37.226 38.147 -0.921 1
1 109 . 17 1 1 A 10 10 ILE N N 19 121.858 116.563 5.295 1
1 110 . 17 1 1 A 11 11 CYS H H 20 7.443 7.782 -0.339 1
1 111 . 17 1 1 A 11 11 CYS HA H 20 4.841 4.639 0.202 1
1 114 . 17 1 1 A 11 11 CYS C C 20 175.683 174.624 1.059 1
1 115 . 17 1 1 A 11 11 CYS CA C 20 57.851 58.390 -0.539 1
1 116 . 17 1 1 A 11 11 CYS CB C 20 31.601 29.075 2.526 1
1 117 . 17 1 1 A 11 11 CYS N N 20 115.827 116.800 -0.973 1
1 118 . 17 1 1 A 12 12 LEU H H 21 7.940 7.960 -0.020 1
1 119 . 17 1 1 A 12 12 LEU HA H 21 4.241 4.139 0.102 1
1 129 . 17 1 1 A 12 12 LEU C C 21 176.286 175.337 0.949 1
1 130 . 17 1 1 A 12 12 LEU CA C 21 56.726 55.780 0.946 1
1 131 . 17 1 1 A 12 12 LEU CB C 21 38.163 40.762 -2.599 1
1 135 . 17 1 1 A 12 12 LEU N N 21 118.743 117.629 1.114 1
1 136 . 17 1 1 A 13 13 GLU H H 22 8.545 7.813 0.732 1
1 137 . 17 1 1 A 13 13 GLU HA H 22 4.700 4.698 0.002 1
1 142 . 17 1 1 A 13 13 GLU C C 22 176.910 173.708 3.202 1
1 143 . 17 1 1 A 13 13 GLU CA C 22 55.224 55.293 -0.069 1
1 144 . 17 1 1 A 13 13 GLU CB C 22 31.414 33.544 -2.130 1
1 146 . 17 1 1 A 13 13 GLU N N 22 119.659 119.730 -0.071 1
1 147 . 17 1 1 A 14 14 ASP H H 23 8.705 8.675 0.030 1
1 148 . 17 1 1 A 14 14 ASP HA H 23 4.732 5.077 -0.345 1
1 151 . 17 1 1 A 14 14 ASP C C 23 177.077 175.145 1.932 1
1 152 . 17 1 1 A 14 14 ASP CA C 23 55.414 54.055 1.359 1
1 153 . 17 1 1 A 14 14 ASP CB C 23 42.288 42.255 0.033 1
1 154 . 17 1 1 A 14 14 ASP N N 23 121.813 121.462 0.351 1
1 155 . 17 1 1 A 15 15 ILE H H 24 8.603 8.738 -0.135 1
1 156 . 17 1 1 A 15 15 ILE HA H 24 4.173 5.105 -0.932 1
1 166 . 17 1 1 A 15 15 ILE C C 24 174.920 174.875 0.045 1
1 167 . 17 1 1 A 15 15 ILE CA C 24 59.726 60.364 -0.638 1
1 168 . 17 1 1 A 15 15 ILE CB C 24 40.413 41.381 -0.968 1
1 172 . 17 1 1 A 15 15 ILE N N 24 123.686 126.062 -2.376 1
1 173 . 17 1 1 A 16 16 HIS H H 25 8.581 9.127 -0.546 1
1 174 . 17 1 1 A 16 16 HIS HA H 25 4.685 4.952 -0.267 1
1 178 . 17 1 1 A 16 16 HIS C C 25 176.609 176.274 0.335 1
1 179 . 17 1 1 A 16 16 HIS CA C 25 56.913 54.973 1.940 1
1 180 . 17 1 1 A 16 16 HIS CB C 25 30.474 33.308 -2.834 1
1 182 . 17 1 1 A 16 16 HIS N N 25 123.042 124.682 -1.640 1
1 183 . 17 1 1 A 17 17 THR H H 26 8.241 9.010 -0.769 1
1 184 . 17 1 1 A 17 17 THR HA H 26 4.303 4.092 0.211 1
1 189 . 17 1 1 A 17 17 THR C C 26 175.037 174.985 0.052 1
1 190 . 17 1 1 A 17 17 THR CA C 26 62.913 64.126 -1.213 1
1 191 . 17 1 1 A 17 17 THR CB C 26 68.912 68.923 -0.011 1
1 193 . 17 1 1 A 17 17 THR N N 26 114.128 116.760 -2.632 1
1 194 . 17 1 1 A 18 18 SER H H 27 8.160 7.902 0.258 1
1 195 . 17 1 1 A 18 18 SER HA H 27 4.514 4.375 0.139 1
1 198 . 17 1 1 A 18 18 SER C C 27 175.058 174.131 0.927 1
1 199 . 17 1 1 A 18 18 SER CA C 27 58.413 59.491 -1.078 1
1 200 . 17 1 1 A 18 18 SER CB C 27 63.100 62.725 0.375 1
1 201 . 17 1 1 A 18 18 SER N N 27 116.330 116.794 -0.464 1
1 202 . 17 1 1 A 19 19 ARG H H 28 8.200 8.336 -0.136 1
1 203 . 17 1 1 A 19 19 ARG HA H 28 4.233 4.520 -0.287 1
1 210 . 17 1 1 A 19 19 ARG C C 28 176.463 176.649 -0.186 1
1 211 . 17 1 1 A 19 19 ARG CA C 28 57.293 56.862 0.431 1
1 212 . 17 1 1 A 19 19 ARG CB C 28 30.474 29.976 0.498 1
1 215 . 17 1 1 A 19 19 ARG N N 28 121.067 127.675 -6.608 1
1 216 . 17 1 1 A 20 20 VAL H H 29 7.789 7.869 -0.080 1
1 217 . 17 1 1 A 20 20 VAL HA H 29 4.294 3.781 0.513 1
1 225 . 17 1 1 A 20 20 VAL C C 29 175.599 177.736 -2.137 1
1 226 . 17 1 1 A 20 20 VAL CA C 29 61.601 65.250 -3.649 1
1 227 . 17 1 1 A 20 20 VAL CB C 29 33.476 32.254 1.222 1
1 229 . 17 1 1 A 20 20 VAL N N 29 117.329 118.891 -1.562 1
1 230 . 17 1 1 A 21 21 VAL H H 30 8.068 7.849 0.219 1
1 231 . 17 1 1 A 21 21 VAL HA H 30 4.253 3.957 0.296 1
1 239 . 17 1 1 A 21 21 VAL C C 30 175.589 176.651 -1.062 1
1 240 . 17 1 1 A 21 21 VAL CA C 30 62.163 65.529 -3.366 1
1 241 . 17 1 1 A 21 21 VAL CB C 30 32.164 32.341 -0.177 1
1 244 . 17 1 1 A 21 21 VAL N N 30 121.049 118.158 2.891 1
1 245 . 17 1 1 A 22 22 ALA H H 31 8.303 7.463 0.840 1
1 246 . 17 1 1 A 22 22 ALA HA H 31 4.609 4.421 0.188 1
1 250 . 17 1 1 A 22 22 ALA C C 31 176.307 177.078 -0.771 1
1 251 . 17 1 1 A 22 22 ALA CA C 31 51.662 51.400 0.262 1
1 252 . 17 1 1 A 22 22 ALA CB C 31 20.725 18.837 1.888 1
1 253 . 17 1 1 A 22 22 ALA N N 31 127.856 122.943 4.913 1
1 254 . 17 1 1 A 23 23 HIS H H 32 9.100 8.967 0.133 1
1 255 . 17 1 1 A 23 23 HIS HA H 32 4.488 4.438 0.050 1
1 259 . 17 1 1 A 23 23 HIS C C 32 173.154 174.148 -0.994 1
1 260 . 17 1 1 A 23 23 HIS CA C 32 56.164 57.787 -1.623 1
1 261 . 17 1 1 A 23 23 HIS CB C 32 33.476 30.593 2.883 1
1 263 . 17 1 1 A 23 23 HIS N N 32 121.613 125.679 -4.066 1
1 264 . 17 1 1 A 24 24 VAL H H 33 7.498 8.206 -0.708 1
1 265 . 17 1 1 A 24 24 VAL HA H 33 4.130 4.639 -0.509 1
1 273 . 17 1 1 A 24 24 VAL C C 33 175.859 175.769 0.090 1
1 274 . 17 1 1 A 24 24 VAL CA C 33 61.038 60.964 0.074 1
1 275 . 17 1 1 A 24 24 VAL CB C 33 31.976 33.133 -1.157 1
1 278 . 17 1 1 A 24 24 VAL N N 33 126.760 126.138 0.622 1
1 279 . 17 1 1 A 25 25 LEU H H 34 8.426 9.111 -0.685 1
1 280 . 17 1 1 A 25 25 LEU HA H 34 4.461 4.644 -0.183 1
1 290 . 17 1 1 A 25 25 LEU CA C 34 54.661 53.466 1.195 1
1 291 . 17 1 1 A 25 25 LEU CB C 34 43.787 41.485 2.302 1
1 295 . 17 1 1 A 25 25 LEU N N 34 127.479 129.041 -1.562 1
1 296 . 17 1 1 A 26 26 PRO HA H 35 4.302 4.314 -0.012 1
1 303 . 17 1 1 A 26 26 PRO C C 35 176.494 177.260 -0.766 1
1 304 . 17 1 1 A 26 26 PRO CA C 35 65.350 64.827 0.523 1
1 305 . 17 1 1 A 26 26 PRO CB C 35 31.789 31.858 -0.069 1
1 308 . 17 1 1 A 27 27 CYS H H 36 7.266 7.690 -0.424 1
1 309 . 17 1 1 A 27 27 CYS HA H 36 4.407 4.491 -0.084 1
1 312 . 17 1 1 A 27 27 CYS C C 36 176.016 174.641 1.375 1
1 313 . 17 1 1 A 27 27 CYS CA C 36 56.726 58.659 -1.933 1
1 314 . 17 1 1 A 27 27 CYS CB C 36 31.601 27.698 3.903 1
1 315 . 17 1 1 A 27 27 CYS N N 36 111.241 116.356 -5.115 1
1 316 . 17 1 1 A 28 28 GLY H H 37 8.211 8.127 0.084 1
1 317 . 17 1 1 A 28 28 GLY HA2 H 37 4.122 3.791 0.331 1
1 318 . 17 1 1 A 28 28 GLY HA3 H 37 3.329 3.857 -0.528 1
1 319 . 17 1 1 A 28 28 GLY C C 37 173.903 174.451 -0.548 1
1 320 . 17 1 1 A 28 28 GLY CA C 37 44.725 45.726 -1.001 1
1 321 . 17 1 1 A 28 28 GLY N N 37 111.309 109.832 1.477 1
1 322 . 17 1 1 A 29 29 HIS H H 38 8.109 7.568 0.541 1
1 323 . 17 1 1 A 29 29 HIS HA H 38 4.622 4.648 -0.026 1
1 327 . 17 1 1 A 29 29 HIS C C 38 173.029 174.544 -1.515 1
1 328 . 17 1 1 A 29 29 HIS CA C 38 59.351 55.904 3.447 1
1 329 . 17 1 1 A 29 29 HIS CB C 38 31.224 32.106 -0.882 1
1 331 . 17 1 1 A 29 29 HIS N N 38 121.624 118.238 3.386 1
1 332 . 17 1 1 A 30 30 LEU H H 39 8.923 8.631 0.292 1
1 333 . 17 1 1 A 30 30 LEU HA H 39 5.112 5.259 -0.147 1
1 343 . 17 1 1 A 30 30 LEU C C 39 176.380 175.639 0.741 1
1 344 . 17 1 1 A 30 30 LEU CA C 39 54.474 53.530 0.944 1
1 345 . 17 1 1 A 30 30 LEU CB C 39 45.662 44.796 0.866 1
1 349 . 17 1 1 A 30 30 LEU N N 39 120.785 121.052 -0.267 1
1 350 . 17 1 1 A 31 31 LEU H H 40 8.586 8.688 -0.102 1
1 351 . 17 1 1 A 31 31 LEU HA H 40 5.144 4.737 0.407 1
1 361 . 17 1 1 A 31 31 LEU C C 40 177.701 175.586 2.115 1
1 362 . 17 1 1 A 31 31 LEU CA C 40 53.161 53.597 -0.436 1
1 363 . 17 1 1 A 31 31 LEU CB C 40 47.350 45.472 1.878 1
1 366 . 17 1 1 A 31 31 LEU N N 40 117.837 120.145 -2.308 1
1 367 . 17 1 1 A 32 32 HIS H H 41 7.726 7.833 -0.107 1
1 368 . 17 1 1 A 32 32 HIS HA H 41 4.693 4.803 -0.110 1
1 372 . 17 1 1 A 32 32 HIS C C 41 176.994 176.355 0.639 1
1 373 . 17 1 1 A 32 32 HIS CA C 41 59.913 55.550 4.363 1
1 374 . 17 1 1 A 32 32 HIS CB C 41 31.036 31.193 -0.157 1
1 376 . 17 1 1 A 32 32 HIS N N 41 118.242 116.520 1.722 1
1 377 . 17 1 1 A 33 33 ARG H H 42 9.564 9.015 0.549 1
1 378 . 17 1 1 A 33 33 ARG HA H 42 4.055 3.901 0.154 1
1 385 . 17 1 1 A 33 33 ARG C C 42 178.388 177.890 0.498 1
1 386 . 17 1 1 A 33 33 ARG CA C 42 60.476 60.142 0.334 1
1 387 . 17 1 1 A 33 33 ARG CB C 42 29.536 30.265 -0.729 1
1 390 . 17 1 1 A 33 33 ARG N N 42 124.900 120.427 4.473 1
1 391 . 17 1 1 A 34 34 THR H H 43 8.386 8.442 -0.056 1
1 392 . 17 1 1 A 34 34 THR HA H 43 4.101 3.944 0.157 1
1 397 . 17 1 1 A 34 34 THR C C 43 177.285 176.966 0.319 1
1 398 . 17 1 1 A 34 34 THR CA C 43 64.788 66.537 -1.749 1
1 399 . 17 1 1 A 34 34 THR CB C 43 67.787 68.299 -0.512 1
1 401 . 17 1 1 A 34 34 THR N N 43 109.798 114.764 -4.966 1
1 402 . 17 1 1 A 35 35 CYS H H 44 6.825 8.428 -1.603 1
1 403 . 17 1 1 A 35 35 CYS HA H 44 4.066 4.291 -0.225 1
1 406 . 17 1 1 A 35 35 CYS C C 44 176.671 177.355 -0.684 1
1 407 . 17 1 1 A 35 35 CYS CA C 44 63.100 63.096 0.004 1
1 408 . 17 1 1 A 35 35 CYS CB C 44 28.787 27.240 1.547 1
1 409 . 17 1 1 A 35 35 CYS N N 44 123.057 119.098 3.959 1
1 410 . 17 1 1 A 36 36 TYR H H 45 8.484 8.190 0.294 1
1 411 . 17 1 1 A 36 36 TYR HA H 45 4.200 3.991 0.209 1
1 418 . 17 1 1 A 36 36 TYR C C 45 176.140 177.822 -1.682 1
1 419 . 17 1 1 A 36 36 TYR CA C 45 60.101 61.397 -1.296 1
1 420 . 17 1 1 A 36 36 TYR CB C 45 37.601 38.485 -0.884 1
1 423 . 17 1 1 A 36 36 TYR N N 45 119.972 122.951 -2.979 1
1 424 . 17 1 1 A 37 37 GLU H H 46 7.925 7.726 0.199 1
1 425 . 17 1 1 A 37 37 GLU HA H 46 3.546 3.535 0.011 1
1 430 . 17 1 1 A 37 37 GLU C C 46 179.574 178.849 0.725 1
1 431 . 17 1 1 A 37 37 GLU CA C 46 59.351 59.844 -0.493 1
1 432 . 17 1 1 A 37 37 GLU CB C 46 28.787 29.296 -0.509 1
1 434 . 17 1 1 A 37 37 GLU N N 46 117.277 118.630 -1.353 1
1 435 . 17 1 1 A 38 38 GLU H H 47 7.598 8.216 -0.618 1
1 436 . 17 1 1 A 38 38 GLU HA H 47 4.041 4.057 -0.016 1
1 441 . 17 1 1 A 38 38 GLU C C 47 177.743 178.949 -1.206 1
1 442 . 17 1 1 A 38 38 GLU CA C 47 58.788 59.175 -0.387 1
1 443 . 17 1 1 A 38 38 GLU CB C 47 29.349 29.192 0.157 1
1 445 . 17 1 1 A 38 38 GLU N N 47 119.258 120.156 -0.898 1
1 446 . 17 1 1 A 39 39 MET H H 48 7.918 8.044 -0.126 1
1 447 . 17 1 1 A 39 39 MET HA H 48 3.612 4.390 -0.778 1
1 452 . 17 1 1 A 39 39 MET C C 48 178.232 178.426 -0.194 1
1 453 . 17 1 1 A 39 39 MET CA C 48 58.226 58.456 -0.230 1
1 454 . 17 1 1 A 39 39 MET CB C 48 32.351 32.076 0.275 1
1 456 . 17 1 1 A 39 39 MET N N 48 120.952 119.481 1.471 1
1 457 . 17 1 1 A 40 40 LEU H H 49 8.042 7.792 0.250 1
1 458 . 17 1 1 A 40 40 LEU HA H 49 3.867 3.908 -0.041 1
1 468 . 17 1 1 A 40 40 LEU C C 49 179.543 178.314 1.229 1
1 469 . 17 1 1 A 40 40 LEU CA C 49 56.726 57.578 -0.852 1
1 470 . 17 1 1 A 40 40 LEU CB C 49 41.913 40.953 0.960 1
1 474 . 17 1 1 A 40 40 LEU N N 49 119.191 120.934 -1.743 1
1 475 . 17 1 1 A 41 41 LYS H H 50 7.604 8.260 -0.656 1
1 476 . 17 1 1 A 41 41 LYS HA H 50 3.957 3.931 0.026 1
1 485 . 17 1 1 A 41 41 LYS C C 50 178.305 179.458 -1.153 1
1 486 . 17 1 1 A 41 41 LYS CA C 50 58.788 59.731 -0.943 1
1 487 . 17 1 1 A 41 41 LYS CB C 50 32.726 32.332 0.394 1
1 491 . 17 1 1 A 41 41 LYS N N 50 119.815 119.318 0.497 1
1 492 . 17 1 1 A 42 42 GLU H H 51 7.972 7.783 0.189 1
1 493 . 17 1 1 A 42 42 GLU HA H 51 4.238 4.301 -0.063 1
1 498 . 17 1 1 A 42 42 GLU C C 51 177.837 177.540 0.297 1
1 499 . 17 1 1 A 42 42 GLU CA C 51 56.913 56.474 0.439 1
1 500 . 17 1 1 A 42 42 GLU CB C 51 30.660 30.276 0.384 1
1 502 . 17 1 1 A 42 42 GLU N N 51 116.691 115.702 0.989 1
1 503 . 17 1 1 A 43 43 GLY H H 52 8.022 8.123 -0.101 1
1 504 . 17 1 1 A 43 43 GLY HA2 H 52 4.051 3.882 0.169 1
1 505 . 17 1 1 A 43 43 GLY HA3 H 52 3.778 3.926 -0.148 1
1 506 . 17 1 1 A 43 43 GLY C C 52 174.278 174.135 0.143 1
1 507 . 17 1 1 A 43 43 GLY CA C 52 46.037 46.480 -0.443 1
1 508 . 17 1 1 A 43 43 GLY N N 52 108.181 108.960 -0.779 1
1 509 . 17 1 1 A 44 44 TYR H H 53 7.184 7.915 -0.731 1
1 510 . 17 1 1 A 44 44 TYR HA H 53 4.787 4.593 0.194 1
1 517 . 17 1 1 A 44 44 TYR C C 53 174.725 175.163 -0.438 1
1 518 . 17 1 1 A 44 44 TYR CA C 53 55.976 57.419 -1.443 1
1 519 . 17 1 1 A 44 44 TYR CB C 53 38.913 39.673 -0.760 1
1 522 . 17 1 1 A 44 44 TYR N N 53 117.550 118.960 -1.410 1
1 523 . 17 1 1 A 45 45 ARG H H 54 7.969 8.509 -0.540 1
1 524 . 17 1 1 A 45 45 ARG HA H 54 4.412 4.312 0.100 1
1 531 . 17 1 1 A 45 45 ARG C C 54 174.902 175.833 -0.931 1
1 532 . 17 1 1 A 45 45 ARG CA C 54 54.849 56.696 -1.847 1
1 533 . 17 1 1 A 45 45 ARG CB C 54 32.164 30.401 1.763 1
1 536 . 17 1 1 A 45 45 ARG N N 54 120.614 119.512 1.102 1
1 537 . 17 1 1 A 46 46 CYS H H 55 8.579 8.635 -0.056 1
1 538 . 17 1 1 A 46 46 CYS HA H 55 4.236 4.266 -0.030 1
1 541 . 17 1 1 A 46 46 CYS CA C 55 57.477 57.755 -0.278 1
1 542 . 17 1 1 A 46 46 CYS CB C 55 30.849 27.494 3.355 1
1 543 . 17 1 1 A 46 46 CYS N N 55 123.189 123.323 -0.134 1
1 544 . 17 1 1 A 47 47 PRO HA H 56 4.459 4.340 0.119 1
1 551 . 17 1 1 A 47 47 PRO C C 56 178.242 177.850 0.392 1
1 552 . 17 1 1 A 47 47 PRO CA C 56 64.225 64.244 -0.019 1
1 553 . 17 1 1 A 47 47 PRO CB C 56 32.913 31.881 1.032 1
1 556 . 17 1 1 A 48 48 LEU H H 57 8.285 7.394 0.891 1
1 557 . 17 1 1 A 48 48 LEU HA H 57 4.191 4.152 0.039 1
1 567 . 17 1 1 A 48 48 LEU C C 57 178.783 179.133 -0.350 1
1 568 . 17 1 1 A 48 48 LEU CA C 57 55.789 56.639 -0.850 1
1 569 . 17 1 1 A 48 48 LEU CB C 57 41.163 40.790 0.373 1
1 573 . 17 1 1 A 48 48 LEU N N 57 119.589 116.800 2.789 1
1 574 . 17 1 1 A 49 49 CYS H H 58 7.949 7.983 -0.034 1
1 575 . 17 1 1 A 49 49 CYS HA H 58 4.281 4.461 -0.180 1
1 578 . 17 1 1 A 49 49 CYS C C 58 176.088 176.701 -0.613 1
1 579 . 17 1 1 A 49 49 CYS CA C 58 63.475 61.885 1.590 1
1 580 . 17 1 1 A 49 49 CYS CB C 58 30.099 26.410 3.689 1
1 581 . 17 1 1 A 49 49 CYS N N 58 123.132 118.241 4.891 1
1 582 . 17 1 1 A 50 50 MET H H 59 7.717 7.786 -0.069 1
1 583 . 17 1 1 A 50 50 MET HA H 59 4.332 4.389 -0.057 1
1 588 . 17 1 1 A 50 50 MET C C 59 175.870 175.966 -0.096 1
1 589 . 17 1 1 A 50 50 MET CA C 59 55.601 57.925 -2.324 1
1 590 . 17 1 1 A 50 50 MET CB C 59 32.164 33.960 -1.796 1
1 592 . 17 1 1 A 50 50 MET N N 59 118.057 118.913 -0.856 1
1 593 . 17 1 1 A 51 51 HIS H H 60 7.965 7.383 0.582 1
1 594 . 17 1 1 A 51 51 HIS HA H 60 4.709 4.849 -0.140 1
1 598 . 17 1 1 A 51 51 HIS C C 60 174.267 173.346 0.921 1
1 599 . 17 1 1 A 51 51 HIS CA C 60 55.601 54.647 0.954 1
1 600 . 17 1 1 A 51 51 HIS CB C 60 30.661 31.355 -0.694 1
1 602 . 17 1 1 A 51 51 HIS N N 60 119.437 111.531 7.906 1
1 12 . 18 1 1 A 2 2 ASN H H 11 8.476 8.780 -0.304 1
1 13 . 18 1 1 A 2 2 ASN HA H 11 4.704 4.963 -0.259 1
1 16 . 18 1 1 A 2 2 ASN C C 11 175.058 174.878 0.180 1
1 17 . 18 1 1 A 2 2 ASN CA C 11 53.375 52.684 0.691 1
1 18 . 18 1 1 A 2 2 ASN CB C 11 38.913 37.766 1.147 1
1 19 . 18 1 1 A 2 2 ASN N N 11 119.245 121.247 -2.002 1
1 20 . 18 1 1 A 3 3 VAL H H 12 8.023 8.038 -0.015 1
1 21 . 18 1 1 A 3 3 VAL HA H 12 4.171 4.725 -0.554 1
1 29 . 18 1 1 A 3 3 VAL C C 12 176.120 174.853 1.267 1
1 30 . 18 1 1 A 3 3 VAL CA C 12 61.975 61.134 0.841 1
1 31 . 18 1 1 A 3 3 VAL CB C 12 32.913 32.984 -0.071 1
1 34 . 18 1 1 A 3 3 VAL N N 12 119.852 121.043 -1.191 1
1 35 . 18 1 1 A 4 4 SER H H 13 8.384 8.721 -0.337 1
1 36 . 18 1 1 A 4 4 SER HA H 13 4.452 4.603 -0.151 1
1 39 . 18 1 1 A 4 4 SER C C 13 174.153 173.776 0.377 1
1 40 . 18 1 1 A 4 4 SER CA C 13 58.226 58.750 -0.524 1
1 41 . 18 1 1 A 4 4 SER CB C 13 63.663 61.371 2.292 1
1 42 . 18 1 1 A 4 4 SER N N 13 119.429 124.052 -4.623 1
1 43 . 18 1 1 A 5 5 GLN H H 14 8.299 8.524 -0.225 1
1 44 . 18 1 1 A 5 5 GLN HA H 14 4.332 4.792 -0.460 1
1 49 . 18 1 1 A 5 5 GLN C C 14 175.152 175.760 -0.608 1
1 50 . 18 1 1 A 5 5 GLN CA C 14 56.164 54.787 1.377 1
1 51 . 18 1 1 A 5 5 GLN CB C 14 29.724 31.691 -1.967 1
1 53 . 18 1 1 A 5 5 GLN N N 14 123.721 123.421 0.300 1
1 54 . 18 1 1 A 6 6 GLN H H 15 8.692 8.511 0.181 1
1 55 . 18 1 1 A 6 6 GLN HA H 15 4.343 4.509 -0.166 1
1 60 . 18 1 1 A 6 6 GLN C C 15 175.193 175.439 -0.246 1
1 61 . 18 1 1 A 6 6 GLN CA C 15 56.539 55.618 0.921 1
1 62 . 18 1 1 A 6 6 GLN CB C 15 30.474 27.750 2.724 1
1 64 . 18 1 1 A 6 6 GLN N N 15 124.240 122.029 2.211 1
1 65 . 18 1 1 A 7 7 ASN H H 16 8.291 8.324 -0.033 1
1 66 . 18 1 1 A 7 7 ASN HA H 16 5.049 5.269 -0.220 1
1 69 . 18 1 1 A 7 7 ASN C C 16 175.141 174.565 0.576 1
1 70 . 18 1 1 A 7 7 ASN CA C 16 52.224 52.620 -0.396 1
1 71 . 18 1 1 A 7 7 ASN CB C 16 40.600 39.561 1.039 1
1 72 . 18 1 1 A 7 7 ASN N N 16 116.809 122.015 -5.206 1
1 73 . 18 1 1 A 8 8 CYS H H 17 8.737 8.858 -0.121 1
1 74 . 18 1 1 A 8 8 CYS HA H 17 4.584 4.490 0.094 1
1 77 . 18 1 1 A 8 8 CYS CA C 17 56.164 57.095 -0.931 1
1 78 . 18 1 1 A 8 8 CYS CB C 17 31.976 28.893 3.083 1
1 79 . 18 1 1 A 8 8 CYS N N 17 127.386 122.566 4.820 1
1 80 . 18 1 1 A 9 9 PRO HA H 18 4.457 4.351 0.106 1
1 87 . 18 1 1 A 9 9 PRO C C 18 175.922 177.901 -1.979 1
1 88 . 18 1 1 A 9 9 PRO CA C 18 63.663 64.247 -0.584 1
1 89 . 18 1 1 A 9 9 PRO CB C 18 32.913 31.801 1.112 1
1 92 . 18 1 1 A 10 10 ILE H H 19 8.471 8.183 0.288 1
1 93 . 18 1 1 A 10 10 ILE HA H 19 4.171 3.965 0.206 1
1 103 . 18 1 1 A 10 10 ILE C C 19 175.891 177.118 -1.227 1
1 104 . 18 1 1 A 10 10 ILE CA C 19 62.350 63.313 -0.963 1
1 105 . 18 1 1 A 10 10 ILE CB C 19 37.226 37.842 -0.616 1
1 109 . 18 1 1 A 10 10 ILE N N 19 121.858 115.883 5.975 1
1 110 . 18 1 1 A 11 11 CYS H H 20 7.443 7.448 -0.005 1
1 111 . 18 1 1 A 11 11 CYS HA H 20 4.841 4.642 0.199 1
1 114 . 18 1 1 A 11 11 CYS C C 20 175.683 175.186 0.497 1
1 115 . 18 1 1 A 11 11 CYS CA C 20 57.851 58.336 -0.485 1
1 116 . 18 1 1 A 11 11 CYS CB C 20 31.601 29.001 2.600 1
1 117 . 18 1 1 A 11 11 CYS N N 20 115.827 117.476 -1.649 1
1 118 . 18 1 1 A 12 12 LEU H H 21 7.940 7.944 -0.004 1
1 119 . 18 1 1 A 12 12 LEU HA H 21 4.241 3.854 0.387 1
1 129 . 18 1 1 A 12 12 LEU C C 21 176.286 175.720 0.566 1
1 130 . 18 1 1 A 12 12 LEU CA C 21 56.726 56.253 0.473 1
1 131 . 18 1 1 A 12 12 LEU CB C 21 38.163 40.264 -2.101 1
1 135 . 18 1 1 A 12 12 LEU N N 21 118.743 117.026 1.717 1
1 136 . 18 1 1 A 13 13 GLU H H 22 8.545 7.534 1.011 1
1 137 . 18 1 1 A 13 13 GLU HA H 22 4.700 4.657 0.043 1
1 142 . 18 1 1 A 13 13 GLU C C 22 176.910 175.054 1.856 1
1 143 . 18 1 1 A 13 13 GLU CA C 22 55.224 54.858 0.366 1
1 144 . 18 1 1 A 13 13 GLU CB C 22 31.414 31.469 -0.055 1
1 146 . 18 1 1 A 13 13 GLU N N 22 119.659 117.794 1.865 1
1 147 . 18 1 1 A 14 14 ASP H H 23 8.705 8.561 0.144 1
1 148 . 18 1 1 A 14 14 ASP HA H 23 4.732 5.126 -0.394 1
1 151 . 18 1 1 A 14 14 ASP C C 23 177.077 175.314 1.763 1
1 152 . 18 1 1 A 14 14 ASP CA C 23 55.414 53.869 1.545 1
1 153 . 18 1 1 A 14 14 ASP CB C 23 42.288 42.477 -0.189 1
1 154 . 18 1 1 A 14 14 ASP N N 23 121.813 121.723 0.090 1
1 155 . 18 1 1 A 15 15 ILE H H 24 8.603 8.582 0.021 1
1 156 . 18 1 1 A 15 15 ILE HA H 24 4.173 4.740 -0.567 1
1 166 . 18 1 1 A 15 15 ILE C C 24 174.920 174.130 0.790 1
1 167 . 18 1 1 A 15 15 ILE CA C 24 59.726 60.490 -0.764 1
1 168 . 18 1 1 A 15 15 ILE CB C 24 40.413 40.905 -0.492 1
1 172 . 18 1 1 A 15 15 ILE N N 24 123.686 124.968 -1.282 1
1 173 . 18 1 1 A 16 16 HIS H H 25 8.581 9.069 -0.488 1
1 174 . 18 1 1 A 16 16 HIS HA H 25 4.685 4.891 -0.206 1
1 178 . 18 1 1 A 16 16 HIS C C 25 176.609 176.656 -0.047 1
1 179 . 18 1 1 A 16 16 HIS CA C 25 56.913 55.653 1.260 1
1 180 . 18 1 1 A 16 16 HIS CB C 25 30.474 31.449 -0.975 1
1 182 . 18 1 1 A 16 16 HIS N N 25 123.042 127.888 -4.846 1
1 183 . 18 1 1 A 17 17 THR H H 26 8.241 8.313 -0.072 1
1 184 . 18 1 1 A 17 17 THR HA H 26 4.303 3.825 0.478 1
1 189 . 18 1 1 A 17 17 THR C C 26 175.037 175.511 -0.474 1
1 190 . 18 1 1 A 17 17 THR CA C 26 62.913 65.912 -2.999 1
1 191 . 18 1 1 A 17 17 THR CB C 26 68.912 68.550 0.362 1
1 193 . 18 1 1 A 17 17 THR N N 26 114.128 120.728 -6.600 1
1 194 . 18 1 1 A 18 18 SER H H 27 8.160 8.337 -0.177 1
1 195 . 18 1 1 A 18 18 SER HA H 27 4.514 4.432 0.082 1
1 198 . 18 1 1 A 18 18 SER C C 27 175.058 175.159 -0.101 1
1 199 . 18 1 1 A 18 18 SER CA C 27 58.413 58.132 0.281 1
1 200 . 18 1 1 A 18 18 SER CB C 27 63.100 62.562 0.538 1
1 201 . 18 1 1 A 18 18 SER N N 27 116.330 115.002 1.328 1
1 202 . 18 1 1 A 19 19 ARG H H 28 8.200 8.353 -0.153 1
1 203 . 18 1 1 A 19 19 ARG HA H 28 4.233 4.252 -0.019 1
1 210 . 18 1 1 A 19 19 ARG C C 28 176.463 177.910 -1.447 1
1 211 . 18 1 1 A 19 19 ARG CA C 28 57.293 57.181 0.112 1
1 212 . 18 1 1 A 19 19 ARG CB C 28 30.474 29.179 1.295 1
1 215 . 18 1 1 A 19 19 ARG N N 28 121.067 122.349 -1.282 1
1 216 . 18 1 1 A 20 20 VAL H H 29 7.789 7.652 0.137 1
1 217 . 18 1 1 A 20 20 VAL HA H 29 4.294 3.905 0.389 1
1 225 . 18 1 1 A 20 20 VAL C C 29 175.599 177.322 -1.723 1
1 226 . 18 1 1 A 20 20 VAL CA C 29 61.601 64.676 -3.075 1
1 227 . 18 1 1 A 20 20 VAL CB C 29 33.476 31.599 1.877 1
1 229 . 18 1 1 A 20 20 VAL N N 29 117.329 120.748 -3.419 1
1 230 . 18 1 1 A 21 21 VAL H H 30 8.068 7.276 0.792 1
1 231 . 18 1 1 A 21 21 VAL HA H 30 4.253 4.257 -0.004 1
1 239 . 18 1 1 A 21 21 VAL C C 30 175.589 176.020 -0.431 1
1 240 . 18 1 1 A 21 21 VAL CA C 30 62.163 64.353 -2.190 1
1 241 . 18 1 1 A 21 21 VAL CB C 30 32.164 32.969 -0.805 1
1 244 . 18 1 1 A 21 21 VAL N N 30 121.049 119.760 1.289 1
1 245 . 18 1 1 A 22 22 ALA H H 31 8.303 7.604 0.699 1
1 246 . 18 1 1 A 22 22 ALA HA H 31 4.609 4.403 0.206 1
1 250 . 18 1 1 A 22 22 ALA C C 31 176.307 176.974 -0.667 1
1 251 . 18 1 1 A 22 22 ALA CA C 31 51.662 51.254 0.408 1
1 252 . 18 1 1 A 22 22 ALA CB C 31 20.725 19.378 1.347 1
1 253 . 18 1 1 A 22 22 ALA N N 31 127.856 124.673 3.183 1
1 254 . 18 1 1 A 23 23 HIS H H 32 9.100 8.912 0.188 1
1 255 . 18 1 1 A 23 23 HIS HA H 32 4.488 4.462 0.026 1
1 259 . 18 1 1 A 23 23 HIS C C 32 173.154 174.053 -0.899 1
1 260 . 18 1 1 A 23 23 HIS CA C 32 56.164 57.748 -1.584 1
1 261 . 18 1 1 A 23 23 HIS CB C 32 33.476 30.423 3.053 1
1 263 . 18 1 1 A 23 23 HIS N N 32 121.613 125.640 -4.027 1
1 264 . 18 1 1 A 24 24 VAL H H 33 7.498 8.269 -0.771 1
1 265 . 18 1 1 A 24 24 VAL HA H 33 4.130 4.698 -0.568 1
1 273 . 18 1 1 A 24 24 VAL C C 33 175.859 175.668 0.191 1
1 274 . 18 1 1 A 24 24 VAL CA C 33 61.038 60.607 0.431 1
1 275 . 18 1 1 A 24 24 VAL CB C 33 31.976 33.031 -1.055 1
1 278 . 18 1 1 A 24 24 VAL N N 33 126.760 126.517 0.243 1
1 279 . 18 1 1 A 25 25 LEU H H 34 8.426 8.984 -0.558 1
1 280 . 18 1 1 A 25 25 LEU HA H 34 4.461 4.511 -0.050 1
1 290 . 18 1 1 A 25 25 LEU CA C 34 54.661 53.619 1.042 1
1 291 . 18 1 1 A 25 25 LEU CB C 34 43.787 41.302 2.485 1
1 295 . 18 1 1 A 25 25 LEU N N 34 127.479 129.548 -2.069 1
1 296 . 18 1 1 A 26 26 PRO HA H 35 4.302 4.482 -0.180 1
1 303 . 18 1 1 A 26 26 PRO C C 35 176.494 177.337 -0.843 1
1 304 . 18 1 1 A 26 26 PRO CA C 35 65.350 64.408 0.942 1
1 305 . 18 1 1 A 26 26 PRO CB C 35 31.789 31.801 -0.012 1
1 308 . 18 1 1 A 27 27 CYS H H 36 7.266 7.702 -0.436 1
1 309 . 18 1 1 A 27 27 CYS HA H 36 4.407 4.485 -0.078 1
1 312 . 18 1 1 A 27 27 CYS C C 36 176.016 174.616 1.400 1
1 313 . 18 1 1 A 27 27 CYS CA C 36 56.726 58.600 -1.874 1
1 314 . 18 1 1 A 27 27 CYS CB C 36 31.601 27.768 3.833 1
1 315 . 18 1 1 A 27 27 CYS N N 36 111.241 116.117 -4.876 1
1 316 . 18 1 1 A 28 28 GLY H H 37 8.211 8.187 0.024 1
1 317 . 18 1 1 A 28 28 GLY HA2 H 37 4.122 3.745 0.377 1
1 318 . 18 1 1 A 28 28 GLY HA3 H 37 3.329 3.807 -0.478 1
1 319 . 18 1 1 A 28 28 GLY C C 37 173.903 174.354 -0.451 1
1 320 . 18 1 1 A 28 28 GLY CA C 37 44.725 45.665 -0.940 1
1 321 . 18 1 1 A 28 28 GLY N N 37 111.309 109.798 1.511 1
1 322 . 18 1 1 A 29 29 HIS H H 38 8.109 7.570 0.539 1
1 323 . 18 1 1 A 29 29 HIS HA H 38 4.622 4.712 -0.090 1
1 327 . 18 1 1 A 29 29 HIS C C 38 173.029 174.524 -1.495 1
1 328 . 18 1 1 A 29 29 HIS CA C 38 59.351 55.807 3.544 1
1 329 . 18 1 1 A 29 29 HIS CB C 38 31.224 32.125 -0.901 1
1 331 . 18 1 1 A 29 29 HIS N N 38 121.624 118.073 3.551 1
1 332 . 18 1 1 A 30 30 LEU H H 39 8.923 8.690 0.233 1
1 333 . 18 1 1 A 30 30 LEU HA H 39 5.112 5.287 -0.175 1
1 343 . 18 1 1 A 30 30 LEU C C 39 176.380 175.595 0.785 1
1 344 . 18 1 1 A 30 30 LEU CA C 39 54.474 53.626 0.848 1
1 345 . 18 1 1 A 30 30 LEU CB C 39 45.662 44.783 0.879 1
1 349 . 18 1 1 A 30 30 LEU N N 39 120.785 121.144 -0.359 1
1 350 . 18 1 1 A 31 31 LEU H H 40 8.586 8.819 -0.233 1
1 351 . 18 1 1 A 31 31 LEU HA H 40 5.144 4.755 0.389 1
1 361 . 18 1 1 A 31 31 LEU C C 40 177.701 175.554 2.147 1
1 362 . 18 1 1 A 31 31 LEU CA C 40 53.161 53.850 -0.689 1
1 363 . 18 1 1 A 31 31 LEU CB C 40 47.350 45.027 2.323 1
1 366 . 18 1 1 A 31 31 LEU N N 40 117.837 119.783 -1.946 1
1 367 . 18 1 1 A 32 32 HIS H H 41 7.726 7.779 -0.053 1
1 368 . 18 1 1 A 32 32 HIS HA H 41 4.693 4.746 -0.053 1
1 372 . 18 1 1 A 32 32 HIS C C 41 176.994 176.419 0.575 1
1 373 . 18 1 1 A 32 32 HIS CA C 41 59.913 55.181 4.732 1
1 374 . 18 1 1 A 32 32 HIS CB C 41 31.036 31.644 -0.608 1
1 376 . 18 1 1 A 32 32 HIS N N 41 118.242 116.148 2.094 1
1 377 . 18 1 1 A 33 33 ARG H H 42 9.564 9.127 0.437 1
1 378 . 18 1 1 A 33 33 ARG HA H 42 4.055 3.906 0.149 1
1 385 . 18 1 1 A 33 33 ARG C C 42 178.388 178.061 0.327 1
1 386 . 18 1 1 A 33 33 ARG CA C 42 60.476 60.291 0.185 1
1 387 . 18 1 1 A 33 33 ARG CB C 42 29.536 30.137 -0.601 1
1 390 . 18 1 1 A 33 33 ARG N N 42 124.900 120.520 4.380 1
1 391 . 18 1 1 A 34 34 THR H H 43 8.386 8.337 0.049 1
1 392 . 18 1 1 A 34 34 THR HA H 43 4.101 4.083 0.018 1
1 397 . 18 1 1 A 34 34 THR C C 43 177.285 177.175 0.110 1
1 398 . 18 1 1 A 34 34 THR CA C 43 64.788 65.203 -0.415 1
1 399 . 18 1 1 A 34 34 THR CB C 43 67.787 68.022 -0.235 1
1 401 . 18 1 1 A 34 34 THR N N 43 109.798 111.693 -1.895 1
1 402 . 18 1 1 A 35 35 CYS H H 44 6.825 8.477 -1.652 1
1 403 . 18 1 1 A 35 35 CYS HA H 44 4.066 4.265 -0.199 1
1 406 . 18 1 1 A 35 35 CYS C C 44 176.671 177.160 -0.489 1
1 407 . 18 1 1 A 35 35 CYS CA C 44 63.100 62.852 0.248 1
1 408 . 18 1 1 A 35 35 CYS CB C 44 28.787 27.169 1.618 1
1 409 . 18 1 1 A 35 35 CYS N N 44 123.057 120.929 2.128 1
1 410 . 18 1 1 A 36 36 TYR H H 45 8.484 8.335 0.149 1
1 411 . 18 1 1 A 36 36 TYR HA H 45 4.200 4.085 0.115 1
1 418 . 18 1 1 A 36 36 TYR C C 45 176.140 177.868 -1.728 1
1 419 . 18 1 1 A 36 36 TYR CA C 45 60.101 61.480 -1.379 1
1 420 . 18 1 1 A 36 36 TYR CB C 45 37.601 38.393 -0.792 1
1 423 . 18 1 1 A 36 36 TYR N N 45 119.972 123.412 -3.440 1
1 424 . 18 1 1 A 37 37 GLU H H 46 7.925 8.099 -0.174 1
1 425 . 18 1 1 A 37 37 GLU HA H 46 3.546 3.548 -0.002 1
1 430 . 18 1 1 A 37 37 GLU C C 46 179.574 178.830 0.744 1
1 431 . 18 1 1 A 37 37 GLU CA C 46 59.351 59.924 -0.573 1
1 432 . 18 1 1 A 37 37 GLU CB C 46 28.787 29.507 -0.720 1
1 434 . 18 1 1 A 37 37 GLU N N 46 117.277 118.458 -1.181 1
1 435 . 18 1 1 A 38 38 GLU H H 47 7.598 8.350 -0.752 1
1 436 . 18 1 1 A 38 38 GLU HA H 47 4.041 4.059 -0.018 1
1 441 . 18 1 1 A 38 38 GLU C C 47 177.743 178.858 -1.115 1
1 442 . 18 1 1 A 38 38 GLU CA C 47 58.788 59.173 -0.385 1
1 443 . 18 1 1 A 38 38 GLU CB C 47 29.349 29.204 0.145 1
1 445 . 18 1 1 A 38 38 GLU N N 47 119.258 120.585 -1.327 1
1 446 . 18 1 1 A 39 39 MET H H 48 7.918 8.181 -0.263 1
1 447 . 18 1 1 A 39 39 MET HA H 48 3.612 4.442 -0.830 1
1 452 . 18 1 1 A 39 39 MET C C 48 178.232 178.523 -0.291 1
1 453 . 18 1 1 A 39 39 MET CA C 48 58.226 58.517 -0.291 1
1 454 . 18 1 1 A 39 39 MET CB C 48 32.351 32.510 -0.159 1
1 456 . 18 1 1 A 39 39 MET N N 48 120.952 119.572 1.380 1
1 457 . 18 1 1 A 40 40 LEU H H 49 8.042 8.163 -0.121 1
1 458 . 18 1 1 A 40 40 LEU HA H 49 3.867 3.956 -0.089 1
1 468 . 18 1 1 A 40 40 LEU C C 49 179.543 178.214 1.329 1
1 469 . 18 1 1 A 40 40 LEU CA C 49 56.726 57.593 -0.867 1
1 470 . 18 1 1 A 40 40 LEU CB C 49 41.913 41.186 0.727 1
1 474 . 18 1 1 A 40 40 LEU N N 49 119.191 121.051 -1.860 1
1 475 . 18 1 1 A 41 41 LYS H H 50 7.604 8.126 -0.522 1
1 476 . 18 1 1 A 41 41 LYS HA H 50 3.957 3.941 0.016 1
1 485 . 18 1 1 A 41 41 LYS C C 50 178.305 178.981 -0.676 1
1 486 . 18 1 1 A 41 41 LYS CA C 50 58.788 59.789 -1.001 1
1 487 . 18 1 1 A 41 41 LYS CB C 50 32.726 32.218 0.508 1
1 491 . 18 1 1 A 41 41 LYS N N 50 119.815 119.275 0.540 1
1 492 . 18 1 1 A 42 42 GLU H H 51 7.972 7.744 0.228 1
1 493 . 18 1 1 A 42 42 GLU HA H 51 4.238 4.134 0.104 1
1 498 . 18 1 1 A 42 42 GLU C C 51 177.837 177.716 0.121 1
1 499 . 18 1 1 A 42 42 GLU CA C 51 56.913 57.502 -0.589 1
1 500 . 18 1 1 A 42 42 GLU CB C 51 30.660 29.812 0.848 1
1 502 . 18 1 1 A 42 42 GLU N N 51 116.691 116.939 -0.248 1
1 503 . 18 1 1 A 43 43 GLY H H 52 8.022 8.255 -0.233 1
1 504 . 18 1 1 A 43 43 GLY HA2 H 52 4.051 3.903 0.148 1
1 505 . 18 1 1 A 43 43 GLY HA3 H 52 3.778 3.941 -0.163 1
1 506 . 18 1 1 A 43 43 GLY C C 52 174.278 174.277 0.001 1
1 507 . 18 1 1 A 43 43 GLY CA C 52 46.037 46.426 -0.389 1
1 508 . 18 1 1 A 43 43 GLY N N 52 108.181 108.065 0.116 1
1 509 . 18 1 1 A 44 44 TYR H H 53 7.184 7.905 -0.721 1
1 510 . 18 1 1 A 44 44 TYR HA H 53 4.787 4.569 0.218 1
1 517 . 18 1 1 A 44 44 TYR C C 53 174.725 175.390 -0.665 1
1 518 . 18 1 1 A 44 44 TYR CA C 53 55.976 57.580 -1.604 1
1 519 . 18 1 1 A 44 44 TYR CB C 53 38.913 39.527 -0.614 1
1 522 . 18 1 1 A 44 44 TYR N N 53 117.550 119.037 -1.487 1
1 523 . 18 1 1 A 45 45 ARG H H 54 7.969 8.404 -0.435 1
1 524 . 18 1 1 A 45 45 ARG HA H 54 4.412 4.255 0.157 1
1 531 . 18 1 1 A 45 45 ARG C C 54 174.902 175.950 -1.048 1
1 532 . 18 1 1 A 45 45 ARG CA C 54 54.849 57.043 -2.194 1
1 533 . 18 1 1 A 45 45 ARG CB C 54 32.164 30.220 1.944 1
1 536 . 18 1 1 A 45 45 ARG N N 54 120.614 120.355 0.259 1
1 537 . 18 1 1 A 46 46 CYS H H 55 8.579 8.622 -0.043 1
1 538 . 18 1 1 A 46 46 CYS HA H 55 4.236 4.301 -0.065 1
1 541 . 18 1 1 A 46 46 CYS CA C 55 57.477 57.553 -0.076 1
1 542 . 18 1 1 A 46 46 CYS CB C 55 30.849 27.476 3.373 1
1 543 . 18 1 1 A 46 46 CYS N N 55 123.189 123.455 -0.266 1
1 544 . 18 1 1 A 47 47 PRO HA H 56 4.459 4.410 0.049 1
1 551 . 18 1 1 A 47 47 PRO C C 56 178.242 178.144 0.098 1
1 552 . 18 1 1 A 47 47 PRO CA C 56 64.225 64.345 -0.120 1
1 553 . 18 1 1 A 47 47 PRO CB C 56 32.913 32.107 0.806 1
1 556 . 18 1 1 A 48 48 LEU H H 57 8.285 7.389 0.896 1
1 557 . 18 1 1 A 48 48 LEU HA H 57 4.191 4.025 0.166 1
1 567 . 18 1 1 A 48 48 LEU C C 57 178.783 179.225 -0.442 1
1 568 . 18 1 1 A 48 48 LEU CA C 57 55.789 56.851 -1.062 1
1 569 . 18 1 1 A 48 48 LEU CB C 57 41.163 40.611 0.552 1
1 573 . 18 1 1 A 48 48 LEU N N 57 119.589 117.074 2.515 1
1 574 . 18 1 1 A 49 49 CYS H H 58 7.949 7.471 0.478 1
1 575 . 18 1 1 A 49 49 CYS HA H 58 4.281 4.380 -0.099 1
1 578 . 18 1 1 A 49 49 CYS C C 58 176.088 175.485 0.603 1
1 579 . 18 1 1 A 49 49 CYS CA C 58 63.475 61.695 1.780 1
1 580 . 18 1 1 A 49 49 CYS CB C 58 30.099 27.107 2.992 1
1 581 . 18 1 1 A 49 49 CYS N N 58 123.132 118.196 4.936 1
1 582 . 18 1 1 A 50 50 MET H H 59 7.717 8.177 -0.460 1
1 583 . 18 1 1 A 50 50 MET HA H 59 4.332 4.665 -0.333 1
1 588 . 18 1 1 A 50 50 MET C C 59 175.870 175.207 0.663 1
1 589 . 18 1 1 A 50 50 MET CA C 59 55.601 54.773 0.828 1
1 590 . 18 1 1 A 50 50 MET CB C 59 32.164 33.789 -1.625 1
1 592 . 18 1 1 A 50 50 MET N N 59 118.057 117.743 0.314 1
1 593 . 18 1 1 A 51 51 HIS H H 60 7.965 7.614 0.351 1
1 594 . 18 1 1 A 51 51 HIS HA H 60 4.709 4.958 -0.249 1
1 598 . 18 1 1 A 51 51 HIS C C 60 174.267 172.833 1.434 1
1 599 . 18 1 1 A 51 51 HIS CA C 60 55.601 54.450 1.151 1
1 600 . 18 1 1 A 51 51 HIS CB C 60 30.661 30.981 -0.320 1
1 602 . 18 1 1 A 51 51 HIS N N 60 119.437 120.532 -1.095 1
1 12 . 19 1 1 A 2 2 ASN H H 11 8.476 8.503 -0.027 1
1 13 . 19 1 1 A 2 2 ASN HA H 11 4.704 4.798 -0.094 1
1 16 . 19 1 1 A 2 2 ASN C C 11 175.058 174.088 0.970 1
1 17 . 19 1 1 A 2 2 ASN CA C 11 53.375 53.369 0.006 1
1 18 . 19 1 1 A 2 2 ASN CB C 11 38.913 36.995 1.918 1
1 19 . 19 1 1 A 2 2 ASN N N 11 119.245 120.556 -1.311 1
1 20 . 19 1 1 A 3 3 VAL H H 12 8.023 8.279 -0.256 1
1 21 . 19 1 1 A 3 3 VAL HA H 12 4.171 4.508 -0.337 1
1 29 . 19 1 1 A 3 3 VAL C C 12 176.120 175.047 1.073 1
1 30 . 19 1 1 A 3 3 VAL CA C 12 61.975 61.896 0.079 1
1 31 . 19 1 1 A 3 3 VAL CB C 12 32.913 33.911 -0.998 1
1 34 . 19 1 1 A 3 3 VAL N N 12 119.852 125.792 -5.940 1
1 35 . 19 1 1 A 4 4 SER H H 13 8.384 8.707 -0.323 1
1 36 . 19 1 1 A 4 4 SER HA H 13 4.452 4.594 -0.142 1
1 39 . 19 1 1 A 4 4 SER C C 13 174.153 173.982 0.171 1
1 40 . 19 1 1 A 4 4 SER CA C 13 58.226 59.990 -1.764 1
1 41 . 19 1 1 A 4 4 SER CB C 13 63.663 62.828 0.835 1
1 42 . 19 1 1 A 4 4 SER N N 13 119.429 124.108 -4.679 1
1 43 . 19 1 1 A 5 5 GLN H H 14 8.299 8.346 -0.047 1
1 44 . 19 1 1 A 5 5 GLN HA H 14 4.332 4.676 -0.344 1
1 49 . 19 1 1 A 5 5 GLN C C 14 175.152 173.984 1.168 1
1 50 . 19 1 1 A 5 5 GLN CA C 14 56.164 55.472 0.692 1
1 51 . 19 1 1 A 5 5 GLN CB C 14 29.724 32.490 -2.766 1
1 53 . 19 1 1 A 5 5 GLN N N 14 123.721 125.206 -1.485 1
1 54 . 19 1 1 A 6 6 GLN H H 15 8.692 8.608 0.084 1
1 55 . 19 1 1 A 6 6 GLN HA H 15 4.343 4.769 -0.426 1
1 60 . 19 1 1 A 6 6 GLN C C 15 175.193 175.541 -0.348 1
1 61 . 19 1 1 A 6 6 GLN CA C 15 56.539 55.034 1.505 1
1 62 . 19 1 1 A 6 6 GLN CB C 15 30.474 28.943 1.531 1
1 64 . 19 1 1 A 6 6 GLN N N 15 124.240 125.539 -1.299 1
1 65 . 19 1 1 A 7 7 ASN H H 16 8.291 8.754 -0.463 1
1 66 . 19 1 1 A 7 7 ASN HA H 16 5.049 5.512 -0.463 1
1 69 . 19 1 1 A 7 7 ASN C C 16 175.141 174.294 0.847 1
1 70 . 19 1 1 A 7 7 ASN CA C 16 52.224 52.243 -0.019 1
1 71 . 19 1 1 A 7 7 ASN CB C 16 40.600 39.827 0.773 1
1 72 . 19 1 1 A 7 7 ASN N N 16 116.809 122.223 -5.414 1
1 73 . 19 1 1 A 8 8 CYS H H 17 8.737 8.978 -0.241 1
1 74 . 19 1 1 A 8 8 CYS HA H 17 4.584 4.549 0.035 1
1 77 . 19 1 1 A 8 8 CYS CA C 17 56.164 56.931 -0.767 1
1 78 . 19 1 1 A 8 8 CYS CB C 17 31.976 28.811 3.165 1
1 79 . 19 1 1 A 8 8 CYS N N 17 127.386 122.878 4.508 1
1 80 . 19 1 1 A 9 9 PRO HA H 18 4.457 4.467 -0.010 1
1 87 . 19 1 1 A 9 9 PRO C C 18 175.922 177.695 -1.773 1
1 88 . 19 1 1 A 9 9 PRO CA C 18 63.663 64.051 -0.388 1
1 89 . 19 1 1 A 9 9 PRO CB C 18 32.913 31.808 1.105 1
1 92 . 19 1 1 A 10 10 ILE H H 19 8.471 7.861 0.610 1
1 93 . 19 1 1 A 10 10 ILE HA H 19 4.171 3.997 0.174 1
1 103 . 19 1 1 A 10 10 ILE C C 19 175.891 177.061 -1.170 1
1 104 . 19 1 1 A 10 10 ILE CA C 19 62.350 63.314 -0.964 1
1 105 . 19 1 1 A 10 10 ILE CB C 19 37.226 37.855 -0.629 1
1 109 . 19 1 1 A 10 10 ILE N N 19 121.858 116.292 5.566 1
1 110 . 19 1 1 A 11 11 CYS H H 20 7.443 7.475 -0.032 1
1 111 . 19 1 1 A 11 11 CYS HA H 20 4.841 4.661 0.180 1
1 114 . 19 1 1 A 11 11 CYS C C 20 175.683 174.839 0.844 1
1 115 . 19 1 1 A 11 11 CYS CA C 20 57.851 58.328 -0.477 1
1 116 . 19 1 1 A 11 11 CYS CB C 20 31.601 28.928 2.673 1
1 117 . 19 1 1 A 11 11 CYS N N 20 115.827 116.843 -1.016 1
1 118 . 19 1 1 A 12 12 LEU H H 21 7.940 7.869 0.071 1
1 119 . 19 1 1 A 12 12 LEU HA H 21 4.241 4.025 0.216 1
1 129 . 19 1 1 A 12 12 LEU C C 21 176.286 175.317 0.969 1
1 130 . 19 1 1 A 12 12 LEU CA C 21 56.726 56.065 0.661 1
1 131 . 19 1 1 A 12 12 LEU CB C 21 38.163 40.480 -2.317 1
1 135 . 19 1 1 A 12 12 LEU N N 21 118.743 117.585 1.158 1
1 136 . 19 1 1 A 13 13 GLU H H 22 8.545 7.489 1.056 1
1 137 . 19 1 1 A 13 13 GLU HA H 22 4.700 4.948 -0.248 1
1 142 . 19 1 1 A 13 13 GLU C C 22 176.910 174.552 2.358 1
1 143 . 19 1 1 A 13 13 GLU CA C 22 55.224 54.361 0.863 1
1 144 . 19 1 1 A 13 13 GLU CB C 22 31.414 33.714 -2.300 1
1 146 . 19 1 1 A 13 13 GLU N N 22 119.659 117.447 2.212 1
1 147 . 19 1 1 A 14 14 ASP H H 23 8.705 8.683 0.022 1
1 148 . 19 1 1 A 14 14 ASP HA H 23 4.732 4.987 -0.255 1
1 151 . 19 1 1 A 14 14 ASP C C 23 177.077 175.340 1.737 1
1 152 . 19 1 1 A 14 14 ASP CA C 23 55.414 54.364 1.050 1
1 153 . 19 1 1 A 14 14 ASP CB C 23 42.288 42.216 0.072 1
1 154 . 19 1 1 A 14 14 ASP N N 23 121.813 121.552 0.261 1
1 155 . 19 1 1 A 15 15 ILE H H 24 8.603 8.102 0.501 1
1 156 . 19 1 1 A 15 15 ILE HA H 24 4.173 5.078 -0.905 1
1 166 . 19 1 1 A 15 15 ILE C C 24 174.920 174.636 0.284 1
1 167 . 19 1 1 A 15 15 ILE CA C 24 59.726 60.073 -0.347 1
1 168 . 19 1 1 A 15 15 ILE CB C 24 40.413 42.143 -1.730 1
1 172 . 19 1 1 A 15 15 ILE N N 24 123.686 125.680 -1.994 1
1 173 . 19 1 1 A 16 16 HIS H H 25 8.581 8.820 -0.239 1
1 174 . 19 1 1 A 16 16 HIS HA H 25 4.685 5.043 -0.358 1
1 178 . 19 1 1 A 16 16 HIS C C 25 176.609 175.531 1.078 1
1 179 . 19 1 1 A 16 16 HIS CA C 25 56.913 54.837 2.076 1
1 180 . 19 1 1 A 16 16 HIS CB C 25 30.474 33.922 -3.448 1
1 182 . 19 1 1 A 16 16 HIS N N 25 123.042 123.724 -0.682 1
1 183 . 19 1 1 A 17 17 THR H H 26 8.241 9.226 -0.985 1
1 184 . 19 1 1 A 17 17 THR HA H 26 4.303 3.965 0.338 1
1 189 . 19 1 1 A 17 17 THR C C 26 175.037 175.288 -0.251 1
1 190 . 19 1 1 A 17 17 THR CA C 26 62.913 65.976 -3.063 1
1 191 . 19 1 1 A 17 17 THR CB C 26 68.912 68.604 0.308 1
1 193 . 19 1 1 A 17 17 THR N N 26 114.128 116.079 -1.951 1
1 194 . 19 1 1 A 18 18 SER H H 27 8.160 7.737 0.423 1
1 195 . 19 1 1 A 18 18 SER HA H 27 4.514 4.338 0.176 1
1 198 . 19 1 1 A 18 18 SER C C 27 175.058 174.655 0.403 1
1 199 . 19 1 1 A 18 18 SER CA C 27 58.413 58.168 0.245 1
1 200 . 19 1 1 A 18 18 SER CB C 27 63.100 63.173 -0.073 1
1 201 . 19 1 1 A 18 18 SER N N 27 116.330 115.889 0.441 1
1 202 . 19 1 1 A 19 19 ARG H H 28 8.200 8.572 -0.372 1
1 203 . 19 1 1 A 19 19 ARG HA H 28 4.233 4.316 -0.083 1
1 210 . 19 1 1 A 19 19 ARG C C 28 176.463 177.581 -1.118 1
1 211 . 19 1 1 A 19 19 ARG CA C 28 57.293 58.574 -1.281 1
1 212 . 19 1 1 A 19 19 ARG CB C 28 30.474 29.823 0.651 1
1 215 . 19 1 1 A 19 19 ARG N N 28 121.067 128.326 -7.259 1
1 216 . 19 1 1 A 20 20 VAL H H 29 7.789 8.036 -0.247 1
1 217 . 19 1 1 A 20 20 VAL HA H 29 4.294 3.847 0.447 1
1 225 . 19 1 1 A 20 20 VAL C C 29 175.599 177.131 -1.532 1
1 226 . 19 1 1 A 20 20 VAL CA C 29 61.601 64.871 -3.270 1
1 227 . 19 1 1 A 20 20 VAL CB C 29 33.476 31.281 2.195 1
1 229 . 19 1 1 A 20 20 VAL N N 29 117.329 118.282 -0.953 1
1 230 . 19 1 1 A 21 21 VAL H H 30 8.068 7.446 0.622 1
1 231 . 19 1 1 A 21 21 VAL HA H 30 4.253 4.019 0.234 1
1 239 . 19 1 1 A 21 21 VAL C C 30 175.589 176.338 -0.749 1
1 240 . 19 1 1 A 21 21 VAL CA C 30 62.163 64.422 -2.259 1
1 241 . 19 1 1 A 21 21 VAL CB C 30 32.164 32.885 -0.721 1
1 244 . 19 1 1 A 21 21 VAL N N 30 121.049 119.494 1.555 1
1 245 . 19 1 1 A 22 22 ALA H H 31 8.303 7.898 0.405 1
1 246 . 19 1 1 A 22 22 ALA HA H 31 4.609 4.548 0.061 1
1 250 . 19 1 1 A 22 22 ALA C C 31 176.307 176.562 -0.255 1
1 251 . 19 1 1 A 22 22 ALA CA C 31 51.662 50.789 0.873 1
1 252 . 19 1 1 A 22 22 ALA CB C 31 20.725 19.265 1.460 1
1 253 . 19 1 1 A 22 22 ALA N N 31 127.856 122.787 5.069 1
1 254 . 19 1 1 A 23 23 HIS H H 32 9.100 9.133 -0.033 1
1 255 . 19 1 1 A 23 23 HIS HA H 32 4.488 4.489 -0.001 1
1 259 . 19 1 1 A 23 23 HIS C C 32 173.154 174.710 -1.556 1
1 260 . 19 1 1 A 23 23 HIS CA C 32 56.164 57.710 -1.546 1
1 261 . 19 1 1 A 23 23 HIS CB C 32 33.476 30.499 2.977 1
1 263 . 19 1 1 A 23 23 HIS N N 32 121.613 125.474 -3.861 1
1 264 . 19 1 1 A 24 24 VAL H H 33 7.498 8.359 -0.861 1
1 265 . 19 1 1 A 24 24 VAL HA H 33 4.130 4.370 -0.240 1
1 273 . 19 1 1 A 24 24 VAL C C 33 175.859 176.051 -0.192 1
1 274 . 19 1 1 A 24 24 VAL CA C 33 61.038 62.467 -1.429 1
1 275 . 19 1 1 A 24 24 VAL CB C 33 31.976 32.204 -0.228 1
1 278 . 19 1 1 A 24 24 VAL N N 33 126.760 124.997 1.763 1
1 279 . 19 1 1 A 25 25 LEU H H 34 8.426 9.015 -0.589 1
1 280 . 19 1 1 A 25 25 LEU HA H 34 4.461 4.604 -0.143 1
1 290 . 19 1 1 A 25 25 LEU CA C 34 54.661 53.562 1.099 1
1 291 . 19 1 1 A 25 25 LEU CB C 34 43.787 41.314 2.473 1
1 295 . 19 1 1 A 25 25 LEU N N 34 127.479 128.950 -1.471 1
1 296 . 19 1 1 A 26 26 PRO HA H 35 4.302 4.508 -0.206 1
1 303 . 19 1 1 A 26 26 PRO C C 35 176.494 177.050 -0.556 1
1 304 . 19 1 1 A 26 26 PRO CA C 35 65.350 64.272 1.078 1
1 305 . 19 1 1 A 26 26 PRO CB C 35 31.789 31.753 0.036 1
1 308 . 19 1 1 A 27 27 CYS H H 36 7.266 7.803 -0.537 1
1 309 . 19 1 1 A 27 27 CYS HA H 36 4.407 4.593 -0.186 1
1 312 . 19 1 1 A 27 27 CYS C C 36 176.016 174.818 1.198 1
1 313 . 19 1 1 A 27 27 CYS CA C 36 56.726 58.578 -1.852 1
1 314 . 19 1 1 A 27 27 CYS CB C 36 31.601 28.019 3.582 1
1 315 . 19 1 1 A 27 27 CYS N N 36 111.241 116.969 -5.728 1
1 316 . 19 1 1 A 28 28 GLY H H 37 8.211 8.396 -0.185 1
1 317 . 19 1 1 A 28 28 GLY HA2 H 37 4.122 3.727 0.395 1
1 318 . 19 1 1 A 28 28 GLY HA3 H 37 3.329 3.795 -0.466 1
1 319 . 19 1 1 A 28 28 GLY C C 37 173.903 174.330 -0.427 1
1 320 . 19 1 1 A 28 28 GLY CA C 37 44.725 45.653 -0.928 1
1 321 . 19 1 1 A 28 28 GLY N N 37 111.309 109.758 1.551 1
1 322 . 19 1 1 A 29 29 HIS H H 38 8.109 7.597 0.512 1
1 323 . 19 1 1 A 29 29 HIS HA H 38 4.622 4.712 -0.090 1
1 327 . 19 1 1 A 29 29 HIS C C 38 173.029 174.413 -1.384 1
1 328 . 19 1 1 A 29 29 HIS CA C 38 59.351 55.711 3.640 1
1 329 . 19 1 1 A 29 29 HIS CB C 38 31.224 32.172 -0.948 1
1 331 . 19 1 1 A 29 29 HIS N N 38 121.624 117.683 3.941 1
1 332 . 19 1 1 A 30 30 LEU H H 39 8.923 8.688 0.235 1
1 333 . 19 1 1 A 30 30 LEU HA H 39 5.112 5.263 -0.151 1
1 343 . 19 1 1 A 30 30 LEU C C 39 176.380 175.616 0.764 1
1 344 . 19 1 1 A 30 30 LEU CA C 39 54.474 53.508 0.966 1
1 345 . 19 1 1 A 30 30 LEU CB C 39 45.662 44.799 0.863 1
1 349 . 19 1 1 A 30 30 LEU N N 39 120.785 121.062 -0.277 1
1 350 . 19 1 1 A 31 31 LEU H H 40 8.586 8.573 0.013 1
1 351 . 19 1 1 A 31 31 LEU HA H 40 5.144 4.790 0.354 1
1 361 . 19 1 1 A 31 31 LEU C C 40 177.701 175.573 2.128 1
1 362 . 19 1 1 A 31 31 LEU CA C 40 53.161 53.649 -0.488 1
1 363 . 19 1 1 A 31 31 LEU CB C 40 47.350 45.473 1.877 1
1 366 . 19 1 1 A 31 31 LEU N N 40 117.837 120.553 -2.716 1
1 367 . 19 1 1 A 32 32 HIS H H 41 7.726 7.997 -0.271 1
1 368 . 19 1 1 A 32 32 HIS HA H 41 4.693 5.136 -0.443 1
1 372 . 19 1 1 A 32 32 HIS C C 41 176.994 176.388 0.606 1
1 373 . 19 1 1 A 32 32 HIS CA C 41 59.913 55.758 4.155 1
1 374 . 19 1 1 A 32 32 HIS CB C 41 31.036 31.270 -0.234 1
1 376 . 19 1 1 A 32 32 HIS N N 41 118.242 116.537 1.705 1
1 377 . 19 1 1 A 33 33 ARG H H 42 9.564 8.761 0.803 1
1 378 . 19 1 1 A 33 33 ARG HA H 42 4.055 3.915 0.140 1
1 385 . 19 1 1 A 33 33 ARG C C 42 178.388 178.042 0.346 1
1 386 . 19 1 1 A 33 33 ARG CA C 42 60.476 60.201 0.275 1
1 387 . 19 1 1 A 33 33 ARG CB C 42 29.536 30.230 -0.694 1
1 390 . 19 1 1 A 33 33 ARG N N 42 124.900 120.367 4.533 1
1 391 . 19 1 1 A 34 34 THR H H 43 8.386 8.399 -0.013 1
1 392 . 19 1 1 A 34 34 THR HA H 43 4.101 4.003 0.098 1
1 397 . 19 1 1 A 34 34 THR C C 43 177.285 176.981 0.304 1
1 398 . 19 1 1 A 34 34 THR CA C 43 64.788 66.820 -2.032 1
1 399 . 19 1 1 A 34 34 THR CB C 43 67.787 68.379 -0.592 1
1 401 . 19 1 1 A 34 34 THR N N 43 109.798 115.307 -5.509 1
1 402 . 19 1 1 A 35 35 CYS H H 44 6.825 8.465 -1.640 1
1 403 . 19 1 1 A 35 35 CYS HA H 44 4.066 4.282 -0.216 1
1 406 . 19 1 1 A 35 35 CYS C C 44 176.671 177.189 -0.518 1
1 407 . 19 1 1 A 35 35 CYS CA C 44 63.100 62.949 0.151 1
1 408 . 19 1 1 A 35 35 CYS CB C 44 28.787 27.380 1.407 1
1 409 . 19 1 1 A 35 35 CYS N N 44 123.057 118.879 4.178 1
1 410 . 19 1 1 A 36 36 TYR H H 45 8.484 8.185 0.299 1
1 411 . 19 1 1 A 36 36 TYR HA H 45 4.200 4.060 0.140 1
1 418 . 19 1 1 A 36 36 TYR C C 45 176.140 177.721 -1.581 1
1 419 . 19 1 1 A 36 36 TYR CA C 45 60.101 61.438 -1.337 1
1 420 . 19 1 1 A 36 36 TYR CB C 45 37.601 38.577 -0.976 1
1 423 . 19 1 1 A 36 36 TYR N N 45 119.972 123.047 -3.075 1
1 424 . 19 1 1 A 37 37 GLU H H 46 7.925 7.759 0.166 1
1 425 . 19 1 1 A 37 37 GLU HA H 46 3.546 3.475 0.071 1
1 430 . 19 1 1 A 37 37 GLU C C 46 179.574 179.156 0.418 1
1 431 . 19 1 1 A 37 37 GLU CA C 46 59.351 60.032 -0.681 1
1 432 . 19 1 1 A 37 37 GLU CB C 46 28.787 29.489 -0.702 1
1 434 . 19 1 1 A 37 37 GLU N N 46 117.277 119.502 -2.225 1
1 435 . 19 1 1 A 38 38 GLU H H 47 7.598 8.010 -0.412 1
1 436 . 19 1 1 A 38 38 GLU HA H 47 4.041 3.990 0.051 1
1 441 . 19 1 1 A 38 38 GLU C C 47 177.743 178.789 -1.046 1
1 442 . 19 1 1 A 38 38 GLU CA C 47 58.788 58.455 0.333 1
1 443 . 19 1 1 A 38 38 GLU CB C 47 29.349 29.377 -0.028 1
1 445 . 19 1 1 A 38 38 GLU N N 47 119.258 120.801 -1.543 1
1 446 . 19 1 1 A 39 39 MET H H 48 7.918 7.870 0.048 1
1 447 . 19 1 1 A 39 39 MET HA H 48 3.612 4.092 -0.480 1
1 452 . 19 1 1 A 39 39 MET C C 48 178.232 178.369 -0.137 1
1 453 . 19 1 1 A 39 39 MET CA C 48 58.226 58.150 0.076 1
1 454 . 19 1 1 A 39 39 MET CB C 48 32.351 32.449 -0.098 1
1 456 . 19 1 1 A 39 39 MET N N 48 120.952 119.363 1.589 1
1 457 . 19 1 1 A 40 40 LEU H H 49 8.042 8.092 -0.050 1
1 458 . 19 1 1 A 40 40 LEU HA H 49 3.867 3.867 0.000 1
1 468 . 19 1 1 A 40 40 LEU C C 49 179.543 178.235 1.308 1
1 469 . 19 1 1 A 40 40 LEU CA C 49 56.726 57.322 -0.596 1
1 470 . 19 1 1 A 40 40 LEU CB C 49 41.913 41.104 0.809 1
1 474 . 19 1 1 A 40 40 LEU N N 49 119.191 120.907 -1.716 1
1 475 . 19 1 1 A 41 41 LYS H H 50 7.604 8.103 -0.499 1
1 476 . 19 1 1 A 41 41 LYS HA H 50 3.957 3.757 0.200 1
1 485 . 19 1 1 A 41 41 LYS C C 50 178.305 178.412 -0.107 1
1 486 . 19 1 1 A 41 41 LYS CA C 50 58.788 59.523 -0.735 1
1 487 . 19 1 1 A 41 41 LYS CB C 50 32.726 31.963 0.763 1
1 491 . 19 1 1 A 41 41 LYS N N 50 119.815 118.856 0.959 1
1 492 . 19 1 1 A 42 42 GLU H H 51 7.972 7.628 0.344 1
1 493 . 19 1 1 A 42 42 GLU HA H 51 4.238 4.215 0.023 1
1 498 . 19 1 1 A 42 42 GLU C C 51 177.837 177.388 0.449 1
1 499 . 19 1 1 A 42 42 GLU CA C 51 56.913 56.130 0.783 1
1 500 . 19 1 1 A 42 42 GLU CB C 51 30.660 30.174 0.486 1
1 502 . 19 1 1 A 42 42 GLU N N 51 116.691 115.518 1.173 1
1 503 . 19 1 1 A 43 43 GLY H H 52 8.022 7.726 0.296 1
1 504 . 19 1 1 A 43 43 GLY HA2 H 52 4.051 3.851 0.200 1
1 505 . 19 1 1 A 43 43 GLY HA3 H 52 3.778 3.862 -0.084 1
1 506 . 19 1 1 A 43 43 GLY C C 52 174.278 174.177 0.101 1
1 507 . 19 1 1 A 43 43 GLY CA C 52 46.037 46.282 -0.245 1
1 508 . 19 1 1 A 43 43 GLY N N 52 108.181 108.548 -0.367 1
1 509 . 19 1 1 A 44 44 TYR H H 53 7.184 7.357 -0.173 1
1 510 . 19 1 1 A 44 44 TYR HA H 53 4.787 4.586 0.201 1
1 517 . 19 1 1 A 44 44 TYR C C 53 174.725 175.172 -0.447 1
1 518 . 19 1 1 A 44 44 TYR CA C 53 55.976 57.946 -1.970 1
1 519 . 19 1 1 A 44 44 TYR CB C 53 38.913 39.718 -0.805 1
1 522 . 19 1 1 A 44 44 TYR N N 53 117.550 119.415 -1.865 1
1 523 . 19 1 1 A 45 45 ARG H H 54 7.969 8.563 -0.594 1
1 524 . 19 1 1 A 45 45 ARG HA H 54 4.412 4.353 0.059 1
1 531 . 19 1 1 A 45 45 ARG C C 54 174.902 176.007 -1.105 1
1 532 . 19 1 1 A 45 45 ARG CA C 54 54.849 57.164 -2.315 1
1 533 . 19 1 1 A 45 45 ARG CB C 54 32.164 30.468 1.696 1
1 536 . 19 1 1 A 45 45 ARG N N 54 120.614 120.199 0.415 1
1 537 . 19 1 1 A 46 46 CYS H H 55 8.579 8.906 -0.327 1
1 538 . 19 1 1 A 46 46 CYS HA H 55 4.236 4.596 -0.360 1
1 541 . 19 1 1 A 46 46 CYS CA C 55 57.477 57.507 -0.030 1
1 542 . 19 1 1 A 46 46 CYS CB C 55 30.849 27.408 3.441 1
1 543 . 19 1 1 A 46 46 CYS N N 55 123.189 122.997 0.192 1
1 544 . 19 1 1 A 47 47 PRO HA H 56 4.459 4.232 0.227 1
1 551 . 19 1 1 A 47 47 PRO C C 56 178.242 177.987 0.255 1
1 552 . 19 1 1 A 47 47 PRO CA C 56 64.225 64.313 -0.088 1
1 553 . 19 1 1 A 47 47 PRO CB C 56 32.913 31.933 0.980 1
1 556 . 19 1 1 A 48 48 LEU H H 57 8.285 7.472 0.813 1
1 557 . 19 1 1 A 48 48 LEU HA H 57 4.191 4.006 0.185 1
1 567 . 19 1 1 A 48 48 LEU C C 57 178.783 178.794 -0.011 1
1 568 . 19 1 1 A 48 48 LEU CA C 57 55.789 56.549 -0.760 1
1 569 . 19 1 1 A 48 48 LEU CB C 57 41.163 40.835 0.328 1
1 573 . 19 1 1 A 48 48 LEU N N 57 119.589 116.835 2.754 1
1 574 . 19 1 1 A 49 49 CYS H H 58 7.949 7.860 0.089 1
1 575 . 19 1 1 A 49 49 CYS HA H 58 4.281 4.508 -0.227 1
1 578 . 19 1 1 A 49 49 CYS C C 58 176.088 176.797 -0.709 1
1 579 . 19 1 1 A 49 49 CYS CA C 58 63.475 61.486 1.989 1
1 580 . 19 1 1 A 49 49 CYS CB C 58 30.099 26.406 3.693 1
1 581 . 19 1 1 A 49 49 CYS N N 58 123.132 118.021 5.111 1
1 582 . 19 1 1 A 50 50 MET H H 59 7.717 7.661 0.056 1
1 583 . 19 1 1 A 50 50 MET HA H 59 4.332 4.322 0.010 1
1 588 . 19 1 1 A 50 50 MET C C 59 175.870 176.111 -0.241 1
1 589 . 19 1 1 A 50 50 MET CA C 59 55.601 57.646 -2.045 1
1 590 . 19 1 1 A 50 50 MET CB C 59 32.164 33.796 -1.632 1
1 592 . 19 1 1 A 50 50 MET N N 59 118.057 119.205 -1.148 1
1 593 . 19 1 1 A 51 51 HIS H H 60 7.965 7.594 0.371 1
1 594 . 19 1 1 A 51 51 HIS HA H 60 4.709 4.926 -0.217 1
1 598 . 19 1 1 A 51 51 HIS C C 60 174.267 172.699 1.568 1
1 599 . 19 1 1 A 51 51 HIS CA C 60 55.601 55.891 -0.290 1
1 600 . 19 1 1 A 51 51 HIS CB C 60 30.661 32.232 -1.571 1
1 602 . 19 1 1 A 51 51 HIS N N 60 119.437 117.537 1.900 1
1 12 . 20 1 1 A 2 2 ASN H H 11 8.476 8.560 -0.084 1
1 13 . 20 1 1 A 2 2 ASN HA H 11 4.704 5.191 -0.487 1
1 16 . 20 1 1 A 2 2 ASN C C 11 175.058 174.976 0.082 1
1 17 . 20 1 1 A 2 2 ASN CA C 11 53.375 52.435 0.940 1
1 18 . 20 1 1 A 2 2 ASN CB C 11 38.913 39.563 -0.650 1
1 19 . 20 1 1 A 2 2 ASN N N 11 119.245 119.485 -0.240 1
1 20 . 20 1 1 A 3 3 VAL H H 12 8.023 8.714 -0.691 1
1 21 . 20 1 1 A 3 3 VAL HA H 12 4.171 4.170 0.001 1
1 29 . 20 1 1 A 3 3 VAL C C 12 176.120 174.881 1.239 1
1 30 . 20 1 1 A 3 3 VAL CA C 12 61.975 62.428 -0.453 1
1 31 . 20 1 1 A 3 3 VAL CB C 12 32.913 30.291 2.622 1
1 34 . 20 1 1 A 3 3 VAL N N 12 119.852 123.659 -3.807 1
1 35 . 20 1 1 A 4 4 SER H H 13 8.384 8.437 -0.053 1
1 36 . 20 1 1 A 4 4 SER HA H 13 4.452 5.392 -0.940 1
1 39 . 20 1 1 A 4 4 SER C C 13 174.153 173.677 0.476 1
1 40 . 20 1 1 A 4 4 SER CA C 13 58.226 56.700 1.526 1
1 41 . 20 1 1 A 4 4 SER CB C 13 63.663 64.239 -0.576 1
1 42 . 20 1 1 A 4 4 SER N N 13 119.429 120.353 -0.924 1
1 43 . 20 1 1 A 5 5 GLN H H 14 8.299 8.860 -0.561 1
1 44 . 20 1 1 A 5 5 GLN HA H 14 4.332 4.860 -0.528 1
1 49 . 20 1 1 A 5 5 GLN C C 14 175.152 174.463 0.689 1
1 50 . 20 1 1 A 5 5 GLN CA C 14 56.164 54.546 1.618 1
1 51 . 20 1 1 A 5 5 GLN CB C 14 29.724 32.138 -2.414 1
1 53 . 20 1 1 A 5 5 GLN N N 14 123.721 124.703 -0.982 1
1 54 . 20 1 1 A 6 6 GLN H H 15 8.692 8.604 0.088 1
1 55 . 20 1 1 A 6 6 GLN HA H 15 4.343 4.511 -0.168 1
1 60 . 20 1 1 A 6 6 GLN C C 15 175.193 175.721 -0.528 1
1 61 . 20 1 1 A 6 6 GLN CA C 15 56.539 56.216 0.323 1
1 62 . 20 1 1 A 6 6 GLN CB C 15 30.474 29.548 0.926 1
1 64 . 20 1 1 A 6 6 GLN N N 15 124.240 124.179 0.061 1
1 65 . 20 1 1 A 7 7 ASN H H 16 8.291 8.988 -0.697 1
1 66 . 20 1 1 A 7 7 ASN HA H 16 5.049 5.610 -0.561 1
1 69 . 20 1 1 A 7 7 ASN C C 16 175.141 173.699 1.442 1
1 70 . 20 1 1 A 7 7 ASN CA C 16 52.224 51.543 0.681 1
1 71 . 20 1 1 A 7 7 ASN CB C 16 40.600 42.362 -1.762 1
1 72 . 20 1 1 A 7 7 ASN N N 16 116.809 121.431 -4.622 1
1 73 . 20 1 1 A 8 8 CYS H H 17 8.737 9.013 -0.276 1
1 74 . 20 1 1 A 8 8 CYS HA H 17 4.584 4.708 -0.124 1
1 77 . 20 1 1 A 8 8 CYS CA C 17 56.164 56.422 -0.258 1
1 78 . 20 1 1 A 8 8 CYS CB C 17 31.976 29.244 2.732 1
1 79 . 20 1 1 A 8 8 CYS N N 17 127.386 121.190 6.196 1
1 80 . 20 1 1 A 9 9 PRO HA H 18 4.457 4.327 0.130 1
1 87 . 20 1 1 A 9 9 PRO C C 18 175.922 178.678 -2.756 1
1 88 . 20 1 1 A 9 9 PRO CA C 18 63.663 64.443 -0.780 1
1 89 . 20 1 1 A 9 9 PRO CB C 18 32.913 32.160 0.753 1
1 92 . 20 1 1 A 10 10 ILE H H 19 8.471 8.066 0.405 1
1 93 . 20 1 1 A 10 10 ILE HA H 19 4.171 3.965 0.206 1
1 103 . 20 1 1 A 10 10 ILE C C 19 175.891 177.239 -1.348 1
1 104 . 20 1 1 A 10 10 ILE CA C 19 62.350 63.791 -1.441 1
1 105 . 20 1 1 A 10 10 ILE CB C 19 37.226 38.021 -0.795 1
1 109 . 20 1 1 A 10 10 ILE N N 19 121.858 116.346 5.512 1
1 110 . 20 1 1 A 11 11 CYS H H 20 7.443 7.298 0.145 1
1 111 . 20 1 1 A 11 11 CYS HA H 20 4.841 4.665 0.176 1
1 114 . 20 1 1 A 11 11 CYS C C 20 175.683 174.793 0.890 1
1 115 . 20 1 1 A 11 11 CYS CA C 20 57.851 58.425 -0.574 1
1 116 . 20 1 1 A 11 11 CYS CB C 20 31.601 29.398 2.203 1
1 117 . 20 1 1 A 11 11 CYS N N 20 115.827 116.603 -0.776 1
1 118 . 20 1 1 A 12 12 LEU H H 21 7.940 8.011 -0.071 1
1 119 . 20 1 1 A 12 12 LEU HA H 21 4.241 4.192 0.049 1
1 129 . 20 1 1 A 12 12 LEU C C 21 176.286 175.275 1.011 1
1 130 . 20 1 1 A 12 12 LEU CA C 21 56.726 55.760 0.966 1
1 131 . 20 1 1 A 12 12 LEU CB C 21 38.163 40.623 -2.460 1
1 135 . 20 1 1 A 12 12 LEU N N 21 118.743 118.127 0.616 1
1 136 . 20 1 1 A 13 13 GLU H H 22 8.545 7.893 0.652 1
1 137 . 20 1 1 A 13 13 GLU HA H 22 4.700 4.923 -0.223 1
1 142 . 20 1 1 A 13 13 GLU C C 22 176.910 174.730 2.180 1
1 143 . 20 1 1 A 13 13 GLU CA C 22 55.224 54.400 0.824 1
1 144 . 20 1 1 A 13 13 GLU CB C 22 31.414 34.020 -2.606 1
1 146 . 20 1 1 A 13 13 GLU N N 22 119.659 117.711 1.948 1
1 147 . 20 1 1 A 14 14 ASP H H 23 8.705 8.648 0.057 1
1 148 . 20 1 1 A 14 14 ASP HA H 23 4.732 4.801 -0.069 1
1 151 . 20 1 1 A 14 14 ASP C C 23 177.077 175.155 1.922 1
1 152 . 20 1 1 A 14 14 ASP CA C 23 55.414 54.615 0.799 1
1 153 . 20 1 1 A 14 14 ASP CB C 23 42.288 41.974 0.314 1
1 154 . 20 1 1 A 14 14 ASP N N 23 121.813 121.638 0.175 1
1 155 . 20 1 1 A 15 15 ILE H H 24 8.603 8.592 0.011 1
1 156 . 20 1 1 A 15 15 ILE HA H 24 4.173 5.009 -0.836 1
1 166 . 20 1 1 A 15 15 ILE C C 24 174.920 174.796 0.124 1
1 167 . 20 1 1 A 15 15 ILE CA C 24 59.726 60.315 -0.589 1
1 168 . 20 1 1 A 15 15 ILE CB C 24 40.413 41.292 -0.879 1
1 172 . 20 1 1 A 15 15 ILE N N 24 123.686 126.575 -2.889 1
1 173 . 20 1 1 A 16 16 HIS H H 25 8.581 9.088 -0.507 1
1 174 . 20 1 1 A 16 16 HIS HA H 25 4.685 4.944 -0.259 1
1 178 . 20 1 1 A 16 16 HIS C C 25 176.609 176.435 0.174 1
1 179 . 20 1 1 A 16 16 HIS CA C 25 56.913 55.168 1.745 1
1 180 . 20 1 1 A 16 16 HIS CB C 25 30.474 32.522 -2.048 1
1 182 . 20 1 1 A 16 16 HIS N N 25 123.042 124.518 -1.476 1
1 183 . 20 1 1 A 17 17 THR H H 26 8.241 9.034 -0.793 1
1 184 . 20 1 1 A 17 17 THR HA H 26 4.303 4.075 0.228 1
1 189 . 20 1 1 A 17 17 THR C C 26 175.037 175.146 -0.109 1
1 190 . 20 1 1 A 17 17 THR CA C 26 62.913 64.311 -1.398 1
1 191 . 20 1 1 A 17 17 THR CB C 26 68.912 68.805 0.107 1
1 193 . 20 1 1 A 17 17 THR N N 26 114.128 116.772 -2.644 1
1 194 . 20 1 1 A 18 18 SER H H 27 8.160 7.807 0.353 1
1 195 . 20 1 1 A 18 18 SER HA H 27 4.514 4.364 0.150 1
1 198 . 20 1 1 A 18 18 SER C C 27 175.058 175.534 -0.476 1
1 199 . 20 1 1 A 18 18 SER CA C 27 58.413 58.316 0.097 1
1 200 . 20 1 1 A 18 18 SER CB C 27 63.100 63.196 -0.096 1
1 201 . 20 1 1 A 18 18 SER N N 27 116.330 117.911 -1.581 1
1 202 . 20 1 1 A 19 19 ARG H H 28 8.200 8.621 -0.421 1
1 203 . 20 1 1 A 19 19 ARG HA H 28 4.233 4.249 -0.016 1
1 210 . 20 1 1 A 19 19 ARG C C 28 176.463 178.309 -1.846 1
1 211 . 20 1 1 A 19 19 ARG CA C 28 57.293 57.498 -0.205 1
1 212 . 20 1 1 A 19 19 ARG CB C 28 30.474 30.390 0.084 1
1 215 . 20 1 1 A 19 19 ARG N N 28 121.067 126.739 -5.672 1
1 216 . 20 1 1 A 20 20 VAL H H 29 7.789 7.891 -0.102 1
1 217 . 20 1 1 A 20 20 VAL HA H 29 4.294 3.947 0.347 1
1 225 . 20 1 1 A 20 20 VAL C C 29 175.599 177.788 -2.189 1
1 226 . 20 1 1 A 20 20 VAL CA C 29 61.601 64.629 -3.028 1
1 227 . 20 1 1 A 20 20 VAL CB C 29 33.476 32.498 0.978 1
1 229 . 20 1 1 A 20 20 VAL N N 29 117.329 119.620 -2.291 1
1 230 . 20 1 1 A 21 21 VAL H H 30 8.068 7.437 0.631 1
1 231 . 20 1 1 A 21 21 VAL HA H 30 4.253 3.814 0.439 1
1 239 . 20 1 1 A 21 21 VAL C C 30 175.589 176.461 -0.872 1
1 240 . 20 1 1 A 21 21 VAL CA C 30 62.163 65.869 -3.706 1
1 241 . 20 1 1 A 21 21 VAL CB C 30 32.164 32.494 -0.330 1
1 244 . 20 1 1 A 21 21 VAL N N 30 121.049 120.773 0.276 1
1 245 . 20 1 1 A 22 22 ALA H H 31 8.303 7.362 0.941 1
1 246 . 20 1 1 A 22 22 ALA HA H 31 4.609 4.430 0.179 1
1 250 . 20 1 1 A 22 22 ALA C C 31 176.307 176.882 -0.575 1
1 251 . 20 1 1 A 22 22 ALA CA C 31 51.662 51.609 0.053 1
1 252 . 20 1 1 A 22 22 ALA CB C 31 20.725 20.172 0.553 1
1 253 . 20 1 1 A 22 22 ALA N N 31 127.856 122.361 5.495 1
1 254 . 20 1 1 A 23 23 HIS H H 32 9.100 8.917 0.183 1
1 255 . 20 1 1 A 23 23 HIS HA H 32 4.488 4.682 -0.194 1
1 259 . 20 1 1 A 23 23 HIS C C 32 173.154 173.882 -0.728 1
1 260 . 20 1 1 A 23 23 HIS CA C 32 56.164 57.323 -1.159 1
1 261 . 20 1 1 A 23 23 HIS CB C 32 33.476 30.591 2.885 1
1 263 . 20 1 1 A 23 23 HIS N N 32 121.613 123.516 -1.903 1
1 264 . 20 1 1 A 24 24 VAL H H 33 7.498 8.335 -0.837 1
1 265 . 20 1 1 A 24 24 VAL HA H 33 4.130 4.776 -0.646 1
1 273 . 20 1 1 A 24 24 VAL C C 33 175.859 175.649 0.210 1
1 274 . 20 1 1 A 24 24 VAL CA C 33 61.038 60.370 0.668 1
1 275 . 20 1 1 A 24 24 VAL CB C 33 31.976 33.002 -1.026 1
1 278 . 20 1 1 A 24 24 VAL N N 33 126.760 126.831 -0.071 1
1 279 . 20 1 1 A 25 25 LEU H H 34 8.426 8.892 -0.466 1
1 280 . 20 1 1 A 25 25 LEU HA H 34 4.461 4.547 -0.086 1
1 290 . 20 1 1 A 25 25 LEU CA C 34 54.661 53.531 1.130 1
1 291 . 20 1 1 A 25 25 LEU CB C 34 43.787 41.248 2.539 1
1 295 . 20 1 1 A 25 25 LEU N N 34 127.479 129.493 -2.014 1
1 296 . 20 1 1 A 26 26 PRO HA H 35 4.302 4.470 -0.168 1
1 303 . 20 1 1 A 26 26 PRO C C 35 176.494 177.443 -0.949 1
1 304 . 20 1 1 A 26 26 PRO CA C 35 65.350 64.381 0.969 1
1 305 . 20 1 1 A 26 26 PRO CB C 35 31.789 31.741 0.048 1
1 308 . 20 1 1 A 27 27 CYS H H 36 7.266 7.684 -0.418 1
1 309 . 20 1 1 A 27 27 CYS HA H 36 4.407 4.452 -0.045 1
1 312 . 20 1 1 A 27 27 CYS C C 36 176.016 174.696 1.320 1
1 313 . 20 1 1 A 27 27 CYS CA C 36 56.726 58.654 -1.928 1
1 314 . 20 1 1 A 27 27 CYS CB C 36 31.601 27.678 3.923 1
1 315 . 20 1 1 A 27 27 CYS N N 36 111.241 116.059 -4.818 1
1 316 . 20 1 1 A 28 28 GLY H H 37 8.211 8.023 0.188 1
1 317 . 20 1 1 A 28 28 GLY HA2 H 37 4.122 3.765 0.357 1
1 318 . 20 1 1 A 28 28 GLY HA3 H 37 3.329 3.816 -0.487 1
1 319 . 20 1 1 A 28 28 GLY C C 37 173.903 174.450 -0.547 1
1 320 . 20 1 1 A 28 28 GLY CA C 37 44.725 45.812 -1.087 1
1 321 . 20 1 1 A 28 28 GLY N N 37 111.309 109.882 1.427 1
1 322 . 20 1 1 A 29 29 HIS H H 38 8.109 7.582 0.527 1
1 323 . 20 1 1 A 29 29 HIS HA H 38 4.622 4.718 -0.096 1
1 327 . 20 1 1 A 29 29 HIS C C 38 173.029 174.481 -1.452 1
1 328 . 20 1 1 A 29 29 HIS CA C 38 59.351 55.735 3.616 1
1 329 . 20 1 1 A 29 29 HIS CB C 38 31.224 32.198 -0.974 1
1 331 . 20 1 1 A 29 29 HIS N N 38 121.624 117.668 3.956 1
1 332 . 20 1 1 A 30 30 LEU H H 39 8.923 8.677 0.246 1
1 333 . 20 1 1 A 30 30 LEU HA H 39 5.112 5.240 -0.128 1
1 343 . 20 1 1 A 30 30 LEU C C 39 176.380 175.749 0.631 1
1 344 . 20 1 1 A 30 30 LEU CA C 39 54.474 53.486 0.988 1
1 345 . 20 1 1 A 30 30 LEU CB C 39 45.662 44.705 0.957 1
1 349 . 20 1 1 A 30 30 LEU N N 39 120.785 121.043 -0.258 1
1 350 . 20 1 1 A 31 31 LEU H H 40 8.586 8.718 -0.132 1
1 351 . 20 1 1 A 31 31 LEU HA H 40 5.144 4.782 0.362 1
1 361 . 20 1 1 A 31 31 LEU C C 40 177.701 175.635 2.066 1
1 362 . 20 1 1 A 31 31 LEU CA C 40 53.161 53.878 -0.717 1
1 363 . 20 1 1 A 31 31 LEU CB C 40 47.350 45.301 2.049 1
1 366 . 20 1 1 A 31 31 LEU N N 40 117.837 121.141 -3.304 1
1 367 . 20 1 1 A 32 32 HIS H H 41 7.726 7.841 -0.115 1
1 368 . 20 1 1 A 32 32 HIS HA H 41 4.693 4.753 -0.060 1
1 372 . 20 1 1 A 32 32 HIS C C 41 176.994 176.385 0.609 1
1 373 . 20 1 1 A 32 32 HIS CA C 41 59.913 55.111 4.802 1
1 374 . 20 1 1 A 32 32 HIS CB C 41 31.036 31.606 -0.570 1
1 376 . 20 1 1 A 32 32 HIS N N 41 118.242 116.077 2.165 1
1 377 . 20 1 1 A 33 33 ARG H H 42 9.564 9.183 0.381 1
1 378 . 20 1 1 A 33 33 ARG HA H 42 4.055 3.887 0.168 1
1 385 . 20 1 1 A 33 33 ARG C C 42 178.388 178.621 -0.233 1
1 386 . 20 1 1 A 33 33 ARG CA C 42 60.476 60.139 0.337 1
1 387 . 20 1 1 A 33 33 ARG CB C 42 29.536 30.162 -0.626 1
1 390 . 20 1 1 A 33 33 ARG N N 42 124.900 120.290 4.610 1
1 391 . 20 1 1 A 34 34 THR H H 43 8.386 8.428 -0.042 1
1 392 . 20 1 1 A 34 34 THR HA H 43 4.101 4.141 -0.040 1
1 397 . 20 1 1 A 34 34 THR C C 43 177.285 176.982 0.303 1
1 398 . 20 1 1 A 34 34 THR CA C 43 64.788 66.791 -2.003 1
1 399 . 20 1 1 A 34 34 THR CB C 43 67.787 67.917 -0.130 1
1 401 . 20 1 1 A 34 34 THR N N 43 109.798 114.329 -4.531 1
1 402 . 20 1 1 A 35 35 CYS H H 44 6.825 8.389 -1.564 1
1 403 . 20 1 1 A 35 35 CYS HA H 44 4.066 4.617 -0.551 1
1 406 . 20 1 1 A 35 35 CYS C C 44 176.671 177.176 -0.505 1
1 407 . 20 1 1 A 35 35 CYS CA C 44 63.100 62.810 0.290 1
1 408 . 20 1 1 A 35 35 CYS CB C 44 28.787 27.303 1.484 1
1 409 . 20 1 1 A 35 35 CYS N N 44 123.057 118.039 5.018 1
1 410 . 20 1 1 A 36 36 TYR H H 45 8.484 8.285 0.199 1
1 411 . 20 1 1 A 36 36 TYR HA H 45 4.200 4.086 0.114 1
1 418 . 20 1 1 A 36 36 TYR C C 45 176.140 177.682 -1.542 1
1 419 . 20 1 1 A 36 36 TYR CA C 45 60.101 61.234 -1.133 1
1 420 . 20 1 1 A 36 36 TYR CB C 45 37.601 38.464 -0.863 1
1 423 . 20 1 1 A 36 36 TYR N N 45 119.972 123.400 -3.428 1
1 424 . 20 1 1 A 37 37 GLU H H 46 7.925 7.903 0.022 1
1 425 . 20 1 1 A 37 37 GLU HA H 46 3.546 3.602 -0.056 1
1 430 . 20 1 1 A 37 37 GLU C C 46 179.574 179.004 0.570 1
1 431 . 20 1 1 A 37 37 GLU CA C 46 59.351 59.825 -0.474 1
1 432 . 20 1 1 A 37 37 GLU CB C 46 28.787 29.344 -0.557 1
1 434 . 20 1 1 A 37 37 GLU N N 46 117.277 118.430 -1.153 1
1 435 . 20 1 1 A 38 38 GLU H H 47 7.598 8.202 -0.604 1
1 436 . 20 1 1 A 38 38 GLU HA H 47 4.041 4.030 0.011 1
1 441 . 20 1 1 A 38 38 GLU C C 47 177.743 178.900 -1.157 1
1 442 . 20 1 1 A 38 38 GLU CA C 47 58.788 59.173 -0.385 1
1 443 . 20 1 1 A 38 38 GLU CB C 47 29.349 29.105 0.244 1
1 445 . 20 1 1 A 38 38 GLU N N 47 119.258 120.270 -1.012 1
1 446 . 20 1 1 A 39 39 MET H H 48 7.918 7.863 0.055 1
1 447 . 20 1 1 A 39 39 MET HA H 48 3.612 4.424 -0.812 1
1 452 . 20 1 1 A 39 39 MET C C 48 178.232 178.569 -0.337 1
1 453 . 20 1 1 A 39 39 MET CA C 48 58.226 58.483 -0.257 1
1 454 . 20 1 1 A 39 39 MET CB C 48 32.351 32.255 0.096 1
1 456 . 20 1 1 A 39 39 MET N N 48 120.952 119.475 1.477 1
1 457 . 20 1 1 A 40 40 LEU H H 49 8.042 7.804 0.238 1
1 458 . 20 1 1 A 40 40 LEU HA H 49 3.867 3.943 -0.076 1
1 468 . 20 1 1 A 40 40 LEU C C 49 179.543 178.364 1.179 1
1 469 . 20 1 1 A 40 40 LEU CA C 49 56.726 57.591 -0.865 1
1 470 . 20 1 1 A 40 40 LEU CB C 49 41.913 40.971 0.942 1
1 474 . 20 1 1 A 40 40 LEU N N 49 119.191 121.134 -1.943 1
1 475 . 20 1 1 A 41 41 LYS H H 50 7.604 8.161 -0.557 1
1 476 . 20 1 1 A 41 41 LYS HA H 50 3.957 3.919 0.038 1
1 485 . 20 1 1 A 41 41 LYS C C 50 178.305 179.581 -1.276 1
1 486 . 20 1 1 A 41 41 LYS CA C 50 58.788 59.511 -0.723 1
1 487 . 20 1 1 A 41 41 LYS CB C 50 32.726 32.220 0.506 1
1 491 . 20 1 1 A 41 41 LYS N N 50 119.815 119.242 0.573 1
1 492 . 20 1 1 A 42 42 GLU H H 51 7.972 7.651 0.321 1
1 493 . 20 1 1 A 42 42 GLU HA H 51 4.238 4.215 0.023 1
1 498 . 20 1 1 A 42 42 GLU C C 51 177.837 177.437 0.400 1
1 499 . 20 1 1 A 42 42 GLU CA C 51 56.913 56.726 0.187 1
1 500 . 20 1 1 A 42 42 GLU CB C 51 30.660 29.836 0.824 1
1 502 . 20 1 1 A 42 42 GLU N N 51 116.691 116.476 0.215 1
1 503 . 20 1 1 A 43 43 GLY H H 52 8.022 7.978 0.044 1
1 504 . 20 1 1 A 43 43 GLY HA2 H 52 4.051 3.944 0.107 1
1 505 . 20 1 1 A 43 43 GLY HA3 H 52 3.778 3.959 -0.181 1
1 506 . 20 1 1 A 43 43 GLY C C 52 174.278 173.710 0.568 1
1 507 . 20 1 1 A 43 43 GLY CA C 52 46.037 46.688 -0.651 1
1 508 . 20 1 1 A 43 43 GLY N N 52 108.181 109.213 -1.032 1
1 509 . 20 1 1 A 44 44 TYR H H 53 7.184 7.912 -0.728 1
1 510 . 20 1 1 A 44 44 TYR HA H 53 4.787 5.211 -0.424 1
1 517 . 20 1 1 A 44 44 TYR C C 53 174.725 174.913 -0.188 1
1 518 . 20 1 1 A 44 44 TYR CA C 53 55.976 55.351 0.625 1
1 519 . 20 1 1 A 44 44 TYR CB C 53 38.913 41.283 -2.370 1
1 522 . 20 1 1 A 44 44 TYR N N 53 117.550 115.642 1.908 1
1 523 . 20 1 1 A 45 45 ARG H H 54 7.969 8.374 -0.405 1
1 524 . 20 1 1 A 45 45 ARG HA H 54 4.412 4.108 0.304 1
1 531 . 20 1 1 A 45 45 ARG C C 54 174.902 175.643 -0.741 1
1 532 . 20 1 1 A 45 45 ARG CA C 54 54.849 56.345 -1.496 1
1 533 . 20 1 1 A 45 45 ARG CB C 54 32.164 30.336 1.828 1
1 536 . 20 1 1 A 45 45 ARG N N 54 120.614 118.974 1.640 1
1 537 . 20 1 1 A 46 46 CYS H H 55 8.579 8.492 0.087 1
1 538 . 20 1 1 A 46 46 CYS HA H 55 4.236 4.280 -0.044 1
1 541 . 20 1 1 A 46 46 CYS CA C 55 57.477 57.462 0.015 1
1 542 . 20 1 1 A 46 46 CYS CB C 55 30.849 27.500 3.349 1
1 543 . 20 1 1 A 46 46 CYS N N 55 123.189 120.210 2.979 1
1 544 . 20 1 1 A 47 47 PRO HA H 56 4.459 4.767 -0.308 1
1 551 . 20 1 1 A 47 47 PRO C C 56 178.242 177.738 0.504 1
1 552 . 20 1 1 A 47 47 PRO CA C 56 64.225 64.280 -0.055 1
1 553 . 20 1 1 A 47 47 PRO CB C 56 32.913 31.801 1.112 1
1 556 . 20 1 1 A 48 48 LEU H H 57 8.285 7.553 0.732 1
1 557 . 20 1 1 A 48 48 LEU HA H 57 4.191 4.070 0.121 1
1 567 . 20 1 1 A 48 48 LEU C C 57 178.783 178.544 0.239 1
1 568 . 20 1 1 A 48 48 LEU CA C 57 55.789 56.287 -0.498 1
1 569 . 20 1 1 A 48 48 LEU CB C 57 41.163 41.118 0.045 1
1 573 . 20 1 1 A 48 48 LEU N N 57 119.589 117.241 2.348 1
1 574 . 20 1 1 A 49 49 CYS H H 58 7.949 7.879 0.070 1
1 575 . 20 1 1 A 49 49 CYS HA H 58 4.281 4.234 0.047 1
1 578 . 20 1 1 A 49 49 CYS C C 58 176.088 176.789 -0.701 1
1 579 . 20 1 1 A 49 49 CYS CA C 58 63.475 62.846 0.629 1
1 580 . 20 1 1 A 49 49 CYS CB C 58 30.099 27.830 2.269 1
1 581 . 20 1 1 A 49 49 CYS N N 58 123.132 118.194 4.938 1
1 582 . 20 1 1 A 50 50 MET H H 59 7.717 7.911 -0.194 1
1 583 . 20 1 1 A 50 50 MET HA H 59 4.332 4.456 -0.124 1
1 588 . 20 1 1 A 50 50 MET C C 59 175.870 176.487 -0.617 1
1 589 . 20 1 1 A 50 50 MET CA C 59 55.601 55.665 -0.064 1
1 590 . 20 1 1 A 50 50 MET CB C 59 32.164 33.737 -1.573 1
1 592 . 20 1 1 A 50 50 MET N N 59 118.057 116.168 1.889 1
1 593 . 20 1 1 A 51 51 HIS H H 60 7.965 7.998 -0.033 1
1 594 . 20 1 1 A 51 51 HIS HA H 60 4.709 4.260 0.449 1
1 598 . 20 1 1 A 51 51 HIS C C 60 174.267 173.930 0.337 1
1 599 . 20 1 1 A 51 51 HIS CA C 60 55.601 56.730 -1.129 1
1 600 . 20 1 1 A 51 51 HIS CB C 60 30.661 28.388 2.273 1
1 602 . 20 1 1 A 51 51 HIS N N 60 119.437 118.858 0.579 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 47 1.066 1
2 1 1 1 "RMS(OBS, PRED)" CA 50 1.500 1
3 1 1 1 "RMS(OBS, PRED)" CB 48 1.576 1
4 1 1 1 "RMS(OBS, PRED)" H 47 0.524 1
5 1 1 1 "RMS(OBS, PRED)" HA 52 0.280 1
6 1 1 1 "RMS(OBS, PRED)" N 47 2.919 1
7 1 2 1 "RMS(OBS, PRED)" C 47 0.975 1
8 1 2 1 "RMS(OBS, PRED)" CA 50 1.289 1
9 1 2 1 "RMS(OBS, PRED)" CB 48 1.654 1
10 1 2 1 "RMS(OBS, PRED)" H 47 0.494 1
11 1 2 1 "RMS(OBS, PRED)" HA 52 0.297 1
12 1 2 1 "RMS(OBS, PRED)" N 47 2.627 1
13 1 3 1 "RMS(OBS, PRED)" C 47 1.083 1
14 1 3 1 "RMS(OBS, PRED)" CA 50 1.486 1
15 1 3 1 "RMS(OBS, PRED)" CB 48 1.734 1
16 1 3 1 "RMS(OBS, PRED)" H 47 0.523 1
17 1 3 1 "RMS(OBS, PRED)" HA 52 0.280 1
18 1 3 1 "RMS(OBS, PRED)" N 47 3.239 1
19 1 4 1 "RMS(OBS, PRED)" C 47 1.193 1
20 1 4 1 "RMS(OBS, PRED)" CA 50 1.567 1
21 1 4 1 "RMS(OBS, PRED)" CB 48 1.629 1
22 1 4 1 "RMS(OBS, PRED)" H 47 0.466 1
23 1 4 1 "RMS(OBS, PRED)" HA 52 0.280 1
24 1 4 1 "RMS(OBS, PRED)" N 47 3.191 1
25 1 5 1 "RMS(OBS, PRED)" C 47 1.031 1
26 1 5 1 "RMS(OBS, PRED)" CA 50 1.542 1
27 1 5 1 "RMS(OBS, PRED)" CB 48 1.630 1
28 1 5 1 "RMS(OBS, PRED)" H 47 0.521 1
29 1 5 1 "RMS(OBS, PRED)" HA 52 0.308 1
30 1 5 1 "RMS(OBS, PRED)" N 47 3.159 1
31 1 6 1 "RMS(OBS, PRED)" C 47 1.028 1
32 1 6 1 "RMS(OBS, PRED)" CA 50 1.644 1
33 1 6 1 "RMS(OBS, PRED)" CB 48 1.614 1
34 1 6 1 "RMS(OBS, PRED)" H 47 0.528 1
35 1 6 1 "RMS(OBS, PRED)" HA 52 0.294 1
36 1 6 1 "RMS(OBS, PRED)" N 47 3.260 1
37 1 7 1 "RMS(OBS, PRED)" C 47 1.075 1
38 1 7 1 "RMS(OBS, PRED)" CA 50 1.516 1
39 1 7 1 "RMS(OBS, PRED)" CB 48 1.707 1
40 1 7 1 "RMS(OBS, PRED)" H 47 0.469 1
41 1 7 1 "RMS(OBS, PRED)" HA 52 0.276 1
42 1 7 1 "RMS(OBS, PRED)" N 47 2.753 1
43 1 8 1 "RMS(OBS, PRED)" C 47 0.999 1
44 1 8 1 "RMS(OBS, PRED)" CA 50 1.477 1
45 1 8 1 "RMS(OBS, PRED)" CB 48 1.680 1
46 1 8 1 "RMS(OBS, PRED)" H 47 0.542 1
47 1 8 1 "RMS(OBS, PRED)" HA 52 0.300 1
48 1 8 1 "RMS(OBS, PRED)" N 47 2.988 1
49 1 9 1 "RMS(OBS, PRED)" C 47 1.047 1
50 1 9 1 "RMS(OBS, PRED)" CA 50 1.402 1
51 1 9 1 "RMS(OBS, PRED)" CB 48 1.804 1
52 1 9 1 "RMS(OBS, PRED)" H 47 0.548 1
53 1 9 1 "RMS(OBS, PRED)" HA 52 0.279 1
54 1 9 1 "RMS(OBS, PRED)" N 47 3.131 1
55 1 10 1 "RMS(OBS, PRED)" C 47 0.978 1
56 1 10 1 "RMS(OBS, PRED)" CA 50 1.538 1
57 1 10 1 "RMS(OBS, PRED)" CB 48 1.662 1
58 1 10 1 "RMS(OBS, PRED)" H 47 0.523 1
59 1 10 1 "RMS(OBS, PRED)" HA 52 0.321 1
60 1 10 1 "RMS(OBS, PRED)" N 47 3.321 1
61 1 11 1 "RMS(OBS, PRED)" C 47 0.990 1
62 1 11 1 "RMS(OBS, PRED)" CA 50 1.569 1
63 1 11 1 "RMS(OBS, PRED)" CB 48 1.635 1
64 1 11 1 "RMS(OBS, PRED)" H 47 0.529 1
65 1 11 1 "RMS(OBS, PRED)" HA 52 0.268 1
66 1 11 1 "RMS(OBS, PRED)" N 47 2.883 1
67 1 12 1 "RMS(OBS, PRED)" C 47 1.082 1
68 1 12 1 "RMS(OBS, PRED)" CA 50 1.685 1
69 1 12 1 "RMS(OBS, PRED)" CB 48 1.681 1
70 1 12 1 "RMS(OBS, PRED)" H 47 0.514 1
71 1 12 1 "RMS(OBS, PRED)" HA 52 0.308 1
72 1 12 1 "RMS(OBS, PRED)" N 47 3.179 1
73 1 13 1 "RMS(OBS, PRED)" C 47 1.036 1
74 1 13 1 "RMS(OBS, PRED)" CA 50 1.549 1
75 1 13 1 "RMS(OBS, PRED)" CB 48 1.644 1
76 1 13 1 "RMS(OBS, PRED)" H 47 0.484 1
77 1 13 1 "RMS(OBS, PRED)" HA 52 0.282 1
78 1 13 1 "RMS(OBS, PRED)" N 47 3.284 1
79 1 14 1 "RMS(OBS, PRED)" C 47 1.110 1
80 1 14 1 "RMS(OBS, PRED)" CA 50 1.632 1
81 1 14 1 "RMS(OBS, PRED)" CB 48 1.590 1
82 1 14 1 "RMS(OBS, PRED)" H 47 0.514 1
83 1 14 1 "RMS(OBS, PRED)" HA 52 0.346 1
84 1 14 1 "RMS(OBS, PRED)" N 47 3.128 1
85 1 15 1 "RMS(OBS, PRED)" C 47 1.020 1
86 1 15 1 "RMS(OBS, PRED)" CA 50 1.416 1
87 1 15 1 "RMS(OBS, PRED)" CB 48 1.591 1
88 1 15 1 "RMS(OBS, PRED)" H 47 0.487 1
89 1 15 1 "RMS(OBS, PRED)" HA 52 0.298 1
90 1 15 1 "RMS(OBS, PRED)" N 47 3.313 1
91 1 16 1 "RMS(OBS, PRED)" C 47 1.104 1
92 1 16 1 "RMS(OBS, PRED)" CA 50 1.473 1
93 1 16 1 "RMS(OBS, PRED)" CB 48 1.807 1
94 1 16 1 "RMS(OBS, PRED)" H 47 0.496 1
95 1 16 1 "RMS(OBS, PRED)" HA 52 0.336 1
96 1 16 1 "RMS(OBS, PRED)" N 47 3.114 1
97 1 17 1 "RMS(OBS, PRED)" C 47 1.068 1
98 1 17 1 "RMS(OBS, PRED)" CA 50 1.530 1
99 1 17 1 "RMS(OBS, PRED)" CB 48 1.625 1
100 1 17 1 "RMS(OBS, PRED)" H 47 0.500 1
101 1 17 1 "RMS(OBS, PRED)" HA 52 0.276 1
102 1 17 1 "RMS(OBS, PRED)" N 47 3.235 1
103 1 18 1 "RMS(OBS, PRED)" C 47 0.991 1
104 1 18 1 "RMS(OBS, PRED)" CA 50 1.422 1
105 1 18 1 "RMS(OBS, PRED)" CB 48 1.618 1
106 1 18 1 "RMS(OBS, PRED)" H 47 0.477 1
107 1 18 1 "RMS(OBS, PRED)" HA 52 0.274 1
108 1 18 1 "RMS(OBS, PRED)" N 47 2.845 1
109 1 19 1 "RMS(OBS, PRED)" C 47 1.013 1
110 1 19 1 "RMS(OBS, PRED)" CA 50 1.506 1
111 1 19 1 "RMS(OBS, PRED)" CB 48 1.740 1
112 1 19 1 "RMS(OBS, PRED)" H 47 0.496 1
113 1 19 1 "RMS(OBS, PRED)" HA 52 0.273 1
114 1 19 1 "RMS(OBS, PRED)" N 47 3.154 1
115 1 20 1 "RMS(OBS, PRED)" C 47 1.088 1
116 1 20 1 "RMS(OBS, PRED)" CA 50 1.421 1
117 1 20 1 "RMS(OBS, PRED)" CB 48 1.648 1
118 1 20 1 "RMS(OBS, PRED)" H 47 0.484 1
119 1 20 1 "RMS(OBS, PRED)" HA 52 0.334 1
120 1 20 1 "RMS(OBS, PRED)" N 47 2.952 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 12 . 1 1 A 2 2 ASN H H 11 8.476 8.570 -0.094 2
1 13 . 1 1 A 2 2 ASN HA H 11 4.704 4.953 -0.249 2
1 16 . 1 1 A 2 2 ASN C C 11 175.058 174.819 0.239 2
1 17 . 1 1 A 2 2 ASN CA C 11 53.375 52.836 0.539 2
1 18 . 1 1 A 2 2 ASN CB C 11 38.913 39.217 -0.304 2
1 19 . 1 1 A 2 2 ASN N N 11 119.245 121.305 -2.060 2
1 20 . 1 1 A 3 3 VAL H H 12 8.023 8.373 -0.350 2
1 21 . 1 1 A 3 3 VAL HA H 12 4.171 4.311 -0.140 2
1 29 . 1 1 A 3 3 VAL C C 12 176.120 175.848 0.272 2
1 30 . 1 1 A 3 3 VAL CA C 12 61.975 62.471 -0.496 2
1 31 . 1 1 A 3 3 VAL CB C 12 32.913 32.015 0.898 2
1 34 . 1 1 A 3 3 VAL N N 12 119.852 122.462 -2.610 2
1 35 . 1 1 A 4 4 SER H H 13 8.384 8.273 0.111 2
1 36 . 1 1 A 4 4 SER HA H 13 4.452 4.621 -0.169 2
1 39 . 1 1 A 4 4 SER C C 13 174.153 174.201 -0.048 2
1 40 . 1 1 A 4 4 SER CA C 13 58.226 58.668 -0.442 2
1 41 . 1 1 A 4 4 SER CB C 13 63.663 63.581 0.081 2
1 42 . 1 1 A 4 4 SER N N 13 119.429 119.274 0.155 2
1 43 . 1 1 A 5 5 GLN H H 14 8.299 8.126 0.173 2
1 44 . 1 1 A 5 5 GLN HA H 14 4.332 4.578 -0.246 2
1 49 . 1 1 A 5 5 GLN C C 14 175.152 175.065 0.087 2
1 50 . 1 1 A 5 5 GLN CA C 14 56.164 55.702 0.462 2
1 51 . 1 1 A 5 5 GLN CB C 14 29.724 30.608 -0.884 2
1 53 . 1 1 A 5 5 GLN N N 14 123.721 122.363 1.358 2
1 54 . 1 1 A 6 6 GLN H H 15 8.692 8.382 0.310 2
1 55 . 1 1 A 6 6 GLN HA H 15 4.343 4.623 -0.280 2
1 60 . 1 1 A 6 6 GLN C C 15 175.193 175.208 -0.015 2
1 61 . 1 1 A 6 6 GLN CA C 15 56.539 55.494 1.045 2
1 62 . 1 1 A 6 6 GLN CB C 15 30.474 30.207 0.267 2
1 64 . 1 1 A 6 6 GLN N N 15 124.240 122.575 1.665 2
1 65 . 1 1 A 7 7 ASN H H 16 8.291 8.744 -0.453 2
1 66 . 1 1 A 7 7 ASN HA H 16 5.049 5.320 -0.271 2
1 69 . 1 1 A 7 7 ASN C C 16 175.141 173.985 1.156 2
1 70 . 1 1 A 7 7 ASN CA C 16 52.224 52.115 0.109 2
1 71 . 1 1 A 7 7 ASN CB C 16 40.600 40.961 -0.361 2
1 72 . 1 1 A 7 7 ASN N N 16 116.809 119.989 -3.180 2
1 73 . 1 1 A 8 8 CYS H H 17 8.737 8.994 -0.257 2
1 74 . 1 1 A 8 8 CYS HA H 17 4.584 4.653 -0.069 2
1 77 . 1 1 A 8 8 CYS CA C 17 56.164 56.443 -0.279 2
1 78 . 1 1 A 8 8 CYS CB C 17 31.976 29.115 2.861 2
1 79 . 1 1 A 8 8 CYS N N 17 127.386 121.727 5.659 2
1 80 . 1 1 A 9 9 PRO HA H 18 4.457 4.447 0.010 2
1 87 . 1 1 A 9 9 PRO C C 18 175.922 177.898 -1.976 2
1 88 . 1 1 A 9 9 PRO CA C 18 63.663 64.151 -0.488 2
1 89 . 1 1 A 9 9 PRO CB C 18 32.913 31.925 0.988 2
1 92 . 1 1 A 10 10 ILE H H 19 8.471 8.158 0.313 2
1 93 . 1 1 A 10 10 ILE HA H 19 4.171 3.987 0.184 2
1 103 . 1 1 A 10 10 ILE C C 19 175.891 177.209 -1.318 2
1 104 . 1 1 A 10 10 ILE CA C 19 62.350 63.487 -1.137 2
1 105 . 1 1 A 10 10 ILE CB C 19 37.226 38.019 -0.793 2
1 109 . 1 1 A 10 10 ILE N N 19 121.858 116.352 5.506 2
1 110 . 1 1 A 11 11 CYS H H 20 7.443 7.500 -0.057 2
1 111 . 1 1 A 11 11 CYS HA H 20 4.841 4.649 0.192 2
1 114 . 1 1 A 11 11 CYS C C 20 175.683 174.924 0.759 2
1 115 . 1 1 A 11 11 CYS CA C 20 57.851 58.365 -0.514 2
1 116 . 1 1 A 11 11 CYS CB C 20 31.601 29.096 2.505 2
1 117 . 1 1 A 11 11 CYS N N 20 115.827 116.888 -1.061 2
1 118 . 1 1 A 12 12 LEU H H 21 7.940 7.919 0.021 2
1 119 . 1 1 A 12 12 LEU HA H 21 4.241 3.993 0.248 2
1 129 . 1 1 A 12 12 LEU C C 21 176.286 175.404 0.882 2
1 130 . 1 1 A 12 12 LEU CA C 21 56.726 56.057 0.669 2
1 131 . 1 1 A 12 12 LEU CB C 21 38.163 40.351 -2.188 2
1 135 . 1 1 A 12 12 LEU N N 21 118.743 117.507 1.236 2
1 136 . 1 1 A 13 13 GLU H H 22 8.545 7.694 0.851 2
1 137 . 1 1 A 13 13 GLU HA H 22 4.700 4.778 -0.078 2
1 142 . 1 1 A 13 13 GLU C C 22 176.910 174.813 2.097 2
1 143 . 1 1 A 13 13 GLU CA C 22 55.224 54.748 0.476 2
1 144 . 1 1 A 13 13 GLU CB C 22 31.414 32.677 -1.263 2
1 146 . 1 1 A 13 13 GLU N N 22 119.659 118.461 1.198 2
1 147 . 1 1 A 14 14 ASP H H 23 8.705 8.648 0.057 2
1 148 . 1 1 A 14 14 ASP HA H 23 4.732 4.868 -0.136 2
1 151 . 1 1 A 14 14 ASP C C 23 177.077 175.429 1.648 2
1 152 . 1 1 A 14 14 ASP CA C 23 55.414 54.349 1.065 2
1 153 . 1 1 A 14 14 ASP CB C 23 42.288 42.034 0.254 2
1 154 . 1 1 A 14 14 ASP N N 23 121.813 121.814 -0.001 2
1 155 . 1 1 A 15 15 ILE H H 24 8.603 8.497 0.106 2
1 156 . 1 1 A 15 15 ILE HA H 24 4.173 4.926 -0.753 2
1 166 . 1 1 A 15 15 ILE C C 24 174.920 174.549 0.371 2
1 167 . 1 1 A 15 15 ILE CA C 24 59.726 60.245 -0.519 2
1 168 . 1 1 A 15 15 ILE CB C 24 40.413 41.643 -1.230 2
1 172 . 1 1 A 15 15 ILE N N 24 123.686 125.034 -1.348 2
1 173 . 1 1 A 16 16 HIS H H 25 8.581 8.968 -0.387 2
1 174 . 1 1 A 16 16 HIS HA H 25 4.685 5.054 -0.369 2
1 178 . 1 1 A 16 16 HIS C C 25 176.609 176.126 0.483 2
1 179 . 1 1 A 16 16 HIS CA C 25 56.913 54.912 2.001 2
1 180 . 1 1 A 16 16 HIS CB C 25 30.474 32.493 -2.019 2
1 182 . 1 1 A 16 16 HIS N N 25 123.042 125.277 -2.235 2
1 183 . 1 1 A 17 17 THR H H 26 8.241 8.670 -0.429 2
1 184 . 1 1 A 17 17 THR HA H 26 4.303 4.009 0.294 2
1 189 . 1 1 A 17 17 THR C C 26 175.037 175.012 0.025 2
1 190 . 1 1 A 17 17 THR CA C 26 62.913 64.758 -1.845 2
1 191 . 1 1 A 17 17 THR CB C 26 68.912 68.715 0.197 2
1 193 . 1 1 A 17 17 THR N N 26 114.128 116.773 -2.645 2
1 194 . 1 1 A 18 18 SER H H 27 8.160 7.716 0.444 2
1 195 . 1 1 A 18 18 SER HA H 27 4.514 4.330 0.184 2
1 198 . 1 1 A 18 18 SER C C 27 175.058 174.828 0.230 2
1 199 . 1 1 A 18 18 SER CA C 27 58.413 59.113 -0.700 2
1 200 . 1 1 A 18 18 SER CB C 27 63.100 63.217 -0.117 2
1 201 . 1 1 A 18 18 SER N N 27 116.330 117.227 -0.897 2
1 202 . 1 1 A 19 19 ARG H H 28 8.200 8.587 -0.387 2
1 203 . 1 1 A 19 19 ARG HA H 28 4.233 4.341 -0.108 2
1 210 . 1 1 A 19 19 ARG C C 28 176.463 177.863 -1.400 2
1 211 . 1 1 A 19 19 ARG CA C 28 57.293 57.938 -0.645 2
1 212 . 1 1 A 19 19 ARG CB C 28 30.474 29.873 0.601 2
1 215 . 1 1 A 19 19 ARG N N 28 121.067 126.457 -5.390 2
1 216 . 1 1 A 20 20 VAL H H 29 7.789 7.804 -0.015 2
1 217 . 1 1 A 20 20 VAL HA H 29 4.294 3.766 0.528 2
1 225 . 1 1 A 20 20 VAL C C 29 175.599 177.632 -2.033 2
1 226 . 1 1 A 20 20 VAL CA C 29 61.601 65.409 -3.808 2
1 227 . 1 1 A 20 20 VAL CB C 29 33.476 31.693 1.783 2
1 229 . 1 1 A 20 20 VAL N N 29 117.329 119.542 -2.213 2
1 230 . 1 1 A 21 21 VAL H H 30 8.068 7.481 0.587 2
1 231 . 1 1 A 21 21 VAL HA H 30 4.253 4.008 0.245 2
1 239 . 1 1 A 21 21 VAL C C 30 175.589 176.213 -0.624 2
1 240 . 1 1 A 21 21 VAL CA C 30 62.163 64.590 -2.427 2
1 241 . 1 1 A 21 21 VAL CB C 30 32.164 32.715 -0.550 2
1 244 . 1 1 A 21 21 VAL N N 30 121.049 118.812 2.237 2
1 245 . 1 1 A 22 22 ALA H H 31 8.303 7.642 0.661 2
1 246 . 1 1 A 22 22 ALA HA H 31 4.609 4.483 0.126 2
1 250 . 1 1 A 22 22 ALA C C 31 176.307 176.795 -0.488 2
1 251 . 1 1 A 22 22 ALA CA C 31 51.662 51.207 0.455 2
1 252 . 1 1 A 22 22 ALA CB C 31 20.725 19.671 1.054 2
1 253 . 1 1 A 22 22 ALA N N 31 127.856 123.209 4.647 2
1 254 . 1 1 A 23 23 HIS H H 32 9.100 8.992 0.108 2
1 255 . 1 1 A 23 23 HIS HA H 32 4.488 4.538 -0.050 2
1 259 . 1 1 A 23 23 HIS C C 32 173.154 174.195 -1.041 2
1 260 . 1 1 A 23 23 HIS CA C 32 56.164 57.412 -1.248 2
1 261 . 1 1 A 23 23 HIS CB C 32 33.476 30.569 2.907 2
1 263 . 1 1 A 23 23 HIS N N 32 121.613 124.833 -3.220 2
1 264 . 1 1 A 24 24 VAL H H 33 7.498 8.268 -0.770 2
1 265 . 1 1 A 24 24 VAL HA H 33 4.130 4.611 -0.481 2
1 273 . 1 1 A 24 24 VAL C C 33 175.859 175.804 0.055 2
1 274 . 1 1 A 24 24 VAL CA C 33 61.038 61.469 -0.431 2
1 275 . 1 1 A 24 24 VAL CB C 33 31.976 32.646 -0.670 2
1 278 . 1 1 A 24 24 VAL N N 33 126.760 126.272 0.488 2
1 279 . 1 1 A 25 25 LEU H H 34 8.426 8.979 -0.553 2
1 280 . 1 1 A 25 25 LEU HA H 34 4.461 4.557 -0.096 2
1 290 . 1 1 A 25 25 LEU CA C 34 54.661 53.577 1.084 2
1 291 . 1 1 A 25 25 LEU CB C 34 43.787 41.319 2.468 2
1 295 . 1 1 A 25 25 LEU N N 34 127.479 129.487 -2.008 2
1 296 . 1 1 A 26 26 PRO HA H 35 4.302 4.420 -0.118 2
1 303 . 1 1 A 26 26 PRO C C 35 176.494 177.329 -0.835 2
1 304 . 1 1 A 26 26 PRO CA C 35 65.350 64.493 0.857 2
1 305 . 1 1 A 26 26 PRO CB C 35 31.789 31.794 -0.005 2
1 308 . 1 1 A 27 27 CYS H H 36 7.266 7.699 -0.433 2
1 309 . 1 1 A 27 27 CYS HA H 36 4.407 4.488 -0.081 2
1 312 . 1 1 A 27 27 CYS C C 36 176.016 174.672 1.344 2
1 313 . 1 1 A 27 27 CYS CA C 36 56.726 58.623 -1.897 2
1 314 . 1 1 A 27 27 CYS CB C 36 31.601 27.770 3.831 2
1 315 . 1 1 A 27 27 CYS N N 36 111.241 116.410 -5.169 2
1 316 . 1 1 A 28 28 GLY H H 37 8.211 8.185 0.026 2
1 317 . 1 1 A 28 28 GLY HA2 H 37 4.122 3.754 0.368 2
1 318 . 1 1 A 28 28 GLY HA3 H 37 3.329 3.817 -0.488 2
1 319 . 1 1 A 28 28 GLY C C 37 173.903 174.378 -0.475 2
1 320 . 1 1 A 28 28 GLY CA C 37 44.725 45.636 -0.911 2
1 321 . 1 1 A 28 28 GLY N N 37 111.309 109.716 1.593 2
1 322 . 1 1 A 29 29 HIS H H 38 8.109 7.599 0.510 2
1 323 . 1 1 A 29 29 HIS HA H 38 4.622 4.693 -0.071 2
1 327 . 1 1 A 29 29 HIS C C 38 173.029 174.496 -1.467 2
1 328 . 1 1 A 29 29 HIS CA C 38 59.351 55.827 3.525 2
1 329 . 1 1 A 29 29 HIS CB C 38 31.224 32.063 -0.839 2
1 331 . 1 1 A 29 29 HIS N N 38 121.624 118.049 3.575 2
1 332 . 1 1 A 30 30 LEU H H 39 8.923 8.674 0.249 2
1 333 . 1 1 A 30 30 LEU HA H 39 5.112 5.274 -0.162 2
1 343 . 1 1 A 30 30 LEU C C 39 176.380 175.622 0.758 2
1 344 . 1 1 A 30 30 LEU CA C 39 54.474 53.515 0.959 2
1 345 . 1 1 A 30 30 LEU CB C 39 45.662 44.687 0.975 2
1 349 . 1 1 A 30 30 LEU N N 39 120.785 121.113 -0.328 2
1 350 . 1 1 A 31 31 LEU H H 40 8.586 8.682 -0.096 2
1 351 . 1 1 A 31 31 LEU HA H 40 5.144 4.763 0.381 2
1 361 . 1 1 A 31 31 LEU C C 40 177.701 175.583 2.118 2
1 362 . 1 1 A 31 31 LEU CA C 40 53.161 53.742 -0.581 2
1 363 . 1 1 A 31 31 LEU CB C 40 47.350 45.296 2.054 2
1 366 . 1 1 A 31 31 LEU N N 40 117.837 120.686 -2.849 2
1 367 . 1 1 A 32 32 HIS H H 41 7.726 7.867 -0.140 2
1 368 . 1 1 A 32 32 HIS HA H 41 4.693 4.835 -0.142 2
1 372 . 1 1 A 32 32 HIS C C 41 176.994 176.361 0.633 2
1 373 . 1 1 A 32 32 HIS CA C 41 59.913 55.400 4.513 2
1 374 . 1 1 A 32 32 HIS CB C 41 31.036 31.419 -0.383 2
1 376 . 1 1 A 32 32 HIS N N 41 118.242 116.462 1.780 2
1 377 . 1 1 A 33 33 ARG H H 42 9.564 9.083 0.481 2
1 378 . 1 1 A 33 33 ARG HA H 42 4.055 3.914 0.141 2
1 385 . 1 1 A 33 33 ARG C C 42 178.388 178.286 0.102 2
1 386 . 1 1 A 33 33 ARG CA C 42 60.476 60.220 0.256 2
1 387 . 1 1 A 33 33 ARG CB C 42 29.536 30.181 -0.645 2
1 390 . 1 1 A 33 33 ARG N N 42 124.900 120.375 4.525 2
1 391 . 1 1 A 34 34 THR H H 43 8.386 8.413 -0.027 2
1 392 . 1 1 A 34 34 THR HA H 43 4.101 3.996 0.105 2
1 397 . 1 1 A 34 34 THR C C 43 177.285 177.066 0.219 2
1 398 . 1 1 A 34 34 THR CA C 43 64.788 66.490 -1.702 2
1 399 . 1 1 A 34 34 THR CB C 43 67.787 68.269 -0.482 2
1 401 . 1 1 A 34 34 THR N N 43 109.798 114.017 -4.219 2
1 402 . 1 1 A 35 35 CYS H H 44 6.825 8.454 -1.629 2
1 403 . 1 1 A 35 35 CYS HA H 44 4.066 4.460 -0.394 2
1 406 . 1 1 A 35 35 CYS C C 44 176.671 177.258 -0.587 2
1 407 . 1 1 A 35 35 CYS CA C 44 63.100 62.934 0.166 2
1 408 . 1 1 A 35 35 CYS CB C 44 28.787 27.245 1.542 2
1 409 . 1 1 A 35 35 CYS N N 44 123.057 118.949 4.108 2
1 410 . 1 1 A 36 36 TYR H H 45 8.484 8.232 0.252 2
1 411 . 1 1 A 36 36 TYR HA H 45 4.200 4.040 0.160 2
1 418 . 1 1 A 36 36 TYR C C 45 176.140 177.783 -1.643 2
1 419 . 1 1 A 36 36 TYR CA C 45 60.101 61.430 -1.329 2
1 420 . 1 1 A 36 36 TYR CB C 45 37.601 38.526 -0.925 2
1 423 . 1 1 A 36 36 TYR N N 45 119.972 123.158 -3.186 2
1 424 . 1 1 A 37 37 GLU H H 46 7.925 7.996 -0.071 2
1 425 . 1 1 A 37 37 GLU HA H 46 3.546 3.570 -0.024 2
1 430 . 1 1 A 37 37 GLU C C 46 179.574 178.985 0.589 2
1 431 . 1 1 A 37 37 GLU CA C 46 59.351 59.760 -0.409 2
1 432 . 1 1 A 37 37 GLU CB C 46 28.787 29.297 -0.510 2
1 434 . 1 1 A 37 37 GLU N N 46 117.277 118.549 -1.272 2
1 435 . 1 1 A 38 38 GLU H H 47 7.598 8.212 -0.614 2
1 436 . 1 1 A 38 38 GLU HA H 47 4.041 4.035 0.006 2
1 441 . 1 1 A 38 38 GLU C C 47 177.743 178.904 -1.161 2
1 442 . 1 1 A 38 38 GLU CA C 47 58.788 59.115 -0.327 2
1 443 . 1 1 A 38 38 GLU CB C 47 29.349 29.265 0.084 2
1 445 . 1 1 A 38 38 GLU N N 47 119.258 120.469 -1.211 2
1 446 . 1 1 A 39 39 MET H H 48 7.918 7.992 -0.074 2
1 447 . 1 1 A 39 39 MET HA H 48 3.612 4.362 -0.750 2
1 452 . 1 1 A 39 39 MET C C 48 178.232 178.508 -0.276 2
1 453 . 1 1 A 39 39 MET CA C 48 58.226 58.459 -0.233 2
1 454 . 1 1 A 39 39 MET CB C 48 32.351 32.281 0.070 2
1 456 . 1 1 A 39 39 MET N N 48 120.952 119.475 1.477 2
1 457 . 1 1 A 40 40 LEU H H 49 8.042 7.955 0.087 2
1 458 . 1 1 A 40 40 LEU HA H 49 3.867 3.943 -0.076 2
1 468 . 1 1 A 40 40 LEU C C 49 179.543 178.389 1.154 2
1 469 . 1 1 A 40 40 LEU CA C 49 56.726 57.555 -0.829 2
1 470 . 1 1 A 40 40 LEU CB C 49 41.913 41.175 0.738 2
1 474 . 1 1 A 40 40 LEU N N 49 119.191 121.101 -1.910 2
1 475 . 1 1 A 41 41 LYS H H 50 7.604 8.214 -0.610 2
1 476 . 1 1 A 41 41 LYS HA H 50 3.957 3.876 0.081 2
1 485 . 1 1 A 41 41 LYS C C 50 178.305 179.096 -0.791 2
1 486 . 1 1 A 41 41 LYS CA C 50 58.788 59.754 -0.966 2
1 487 . 1 1 A 41 41 LYS CB C 50 32.726 32.208 0.518 2
1 491 . 1 1 A 41 41 LYS N N 50 119.815 119.323 0.492 2
1 492 . 1 1 A 42 42 GLU H H 51 7.972 7.715 0.257 2
1 493 . 1 1 A 42 42 GLU HA H 51 4.238 4.201 0.037 2
1 498 . 1 1 A 42 42 GLU C C 51 177.837 177.604 0.233 2
1 499 . 1 1 A 42 42 GLU CA C 51 56.913 57.262 -0.349 2
1 500 . 1 1 A 42 42 GLU CB C 51 30.660 30.046 0.614 2
1 502 . 1 1 A 42 42 GLU N N 51 116.691 116.606 0.085 2
1 503 . 1 1 A 43 43 GLY H H 52 8.022 8.219 -0.197 2
1 504 . 1 1 A 43 43 GLY HA2 H 52 4.051 3.900 0.151 2
1 505 . 1 1 A 43 43 GLY HA3 H 52 3.778 3.934 -0.156 2
1 506 . 1 1 A 43 43 GLY C C 52 174.278 174.149 0.129 2
1 507 . 1 1 A 43 43 GLY CA C 52 46.037 46.375 -0.338 2
1 508 . 1 1 A 43 43 GLY N N 52 108.181 108.175 0.006 2
1 509 . 1 1 A 44 44 TYR H H 53 7.184 7.833 -0.649 2
1 510 . 1 1 A 44 44 TYR HA H 53 4.787 4.693 0.094 2
1 517 . 1 1 A 44 44 TYR C C 53 174.725 175.204 -0.479 2
1 518 . 1 1 A 44 44 TYR CA C 53 55.976 57.191 -1.215 2
1 519 . 1 1 A 44 44 TYR CB C 53 38.913 40.044 -1.131 2
1 522 . 1 1 A 44 44 TYR N N 53 117.550 118.570 -1.020 2
1 523 . 1 1 A 45 45 ARG H H 54 7.969 8.498 -0.529 2
1 524 . 1 1 A 45 45 ARG HA H 54 4.412 4.248 0.164 2
1 531 . 1 1 A 45 45 ARG C C 54 174.902 175.815 -0.913 2
1 532 . 1 1 A 45 45 ARG CA C 54 54.849 56.732 -1.883 2
1 533 . 1 1 A 45 45 ARG CB C 54 32.164 30.364 1.800 2
1 536 . 1 1 A 45 45 ARG N N 54 120.614 119.458 1.156 2
1 537 . 1 1 A 46 46 CYS H H 55 8.579 8.622 -0.043 2
1 538 . 1 1 A 46 46 CYS HA H 55 4.236 4.323 -0.087 2
1 541 . 1 1 A 46 46 CYS CA C 55 57.477 57.632 -0.155 2
1 542 . 1 1 A 46 46 CYS CB C 55 30.849 27.523 3.326 2
1 543 . 1 1 A 46 46 CYS N N 55 123.189 123.086 0.103 2
1 544 . 1 1 A 47 47 PRO HA H 56 4.459 4.389 0.070 2
1 551 . 1 1 A 47 47 PRO C C 56 178.242 178.078 0.164 2
1 552 . 1 1 A 47 47 PRO CA C 56 64.225 64.421 -0.196 2
1 553 . 1 1 A 47 47 PRO CB C 56 32.913 31.979 0.934 2
1 556 . 1 1 A 48 48 LEU H H 57 8.285 7.450 0.835 2
1 557 . 1 1 A 48 48 LEU HA H 57 4.191 4.153 0.038 2
1 567 . 1 1 A 48 48 LEU C C 57 178.783 178.937 -0.154 2
1 568 . 1 1 A 48 48 LEU CA C 57 55.789 56.656 -0.867 2
1 569 . 1 1 A 48 48 LEU CB C 57 41.163 40.768 0.395 2
1 573 . 1 1 A 48 48 LEU N N 57 119.589 116.886 2.703 2
1 574 . 1 1 A 49 49 CYS H H 58 7.949 7.799 0.150 2
1 575 . 1 1 A 49 49 CYS HA H 58 4.281 4.402 -0.121 2
1 578 . 1 1 A 49 49 CYS C C 58 176.088 176.235 -0.147 2
1 579 . 1 1 A 49 49 CYS CA C 58 63.475 62.022 1.453 2
1 580 . 1 1 A 49 49 CYS CB C 58 30.099 26.963 3.136 2
1 581 . 1 1 A 49 49 CYS N N 58 123.132 118.095 5.037 2
1 582 . 1 1 A 50 50 MET H H 59 7.717 7.898 -0.181 2
1 583 . 1 1 A 50 50 MET HA H 59 4.332 4.482 -0.150 2
1 588 . 1 1 A 50 50 MET C C 59 175.870 175.796 0.074 2
1 589 . 1 1 A 50 50 MET CA C 59 55.601 56.348 -0.747 2
1 590 . 1 1 A 50 50 MET CB C 59 32.164 33.538 -1.374 2
1 592 . 1 1 A 50 50 MET N N 59 118.057 117.992 0.065 2
1 593 . 1 1 A 51 51 HIS H H 60 7.965 7.697 0.268 2
1 594 . 1 1 A 51 51 HIS HA H 60 4.709 4.861 -0.152 2
1 598 . 1 1 A 51 51 HIS C C 60 174.267 173.550 0.717 2
1 599 . 1 1 A 51 51 HIS CA C 60 55.601 55.261 0.340 2
1 600 . 1 1 A 51 51 HIS CB C 60 30.661 31.858 -1.197 2
1 602 . 1 1 A 51 51 HIS N N 60 119.437 118.150 1.287 2
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